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 1igr_1_A DATA FIRST_RESID 1 DATA SEQUENCE EIcGPGIDIR NDYQQLKRLE NcTVIEGYLH ILLISKAEDY RSYRFPKLTV DATA SEQUENCE ITEYLLLFRV AGLESLGDLF PNLTVIRGWK LFYNYALVIF EMTNLKDIGL DATA SEQUENCE YNLRNITRGA IRIEKNADLc YLSTVDWSLI LDAVSNNYIV GNKPPKEcGD DATA SEQUENCE LcPGTMEEKP McEKTTINNE YNYRcWTTNR cQKMcPSTcG KRAcTENNEc DATA SEQUENCE cHPEcLGScS APDNDTAcVA cRHYYYAGVc VPAcPPNTYR FEGWRcVDRD DATA SEQUENCE FcANILSAES SDSEGFVIHD GEcMQEcPSG FIRNGSQSMY cIPcEGPcPK DATA SEQUENCE VcEEEKKTKT IDSVTSAQML QGcTIFKGNL LINIRRGNNI ASELENFMGL DATA SEQUENCE IEVVTGYVKI RHSHALVSLS FLKNLRLILG EEQLEGNYSF YVLDNQNLQQ DATA SEQUENCE LWDWDHRNLT IKAGKMYFAF NPKLcVSEIY RMEEVTGTKG RQSKGDINTR DATA SEQUENCE NNGERAScEX XXXXXXKEQK LISEEDLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.598 176.600 -0.004 0.000 1.382 1 E CA 0.000 56.401 56.400 0.002 0.000 0.976 1 E CB 0.000 29.708 29.700 0.013 0.000 0.812 2 I N 1.186 121.779 120.570 0.039 0.000 2.517 2 I HA 0.174 4.343 4.170 -0.000 0.000 0.285 2 I C -0.358 175.777 176.117 0.029 0.000 1.106 2 I CA -0.269 61.066 61.300 0.058 0.000 1.402 2 I CB 0.151 38.262 38.000 0.185 0.000 1.399 2 I HN 0.422 nan 8.210 nan 0.000 0.535 3 c N 5.274 123.860 118.600 -0.023 0.000 2.351 3 c HA 0.919 5.489 4.570 -0.000 0.000 0.326 3 c C 0.636 174.694 174.090 -0.054 0.000 1.272 3 c CA -0.489 55.817 56.329 -0.038 0.000 1.650 3 c CB 0.334 42.797 42.510 -0.078 0.000 2.257 3 c HN 0.995 nan 8.230 nan 0.000 0.505 4 G N 2.993 111.773 108.800 -0.034 0.000 2.623 4 G HA2 0.788 4.748 3.960 -0.000 0.000 0.290 4 G HA3 0.788 4.748 3.960 -0.000 0.000 0.290 4 G C -2.878 171.994 174.900 -0.047 0.000 1.437 4 G CA -0.594 44.471 45.100 -0.059 0.000 0.798 4 G HN 0.511 nan 8.290 nan 0.000 0.488 5 P HA 0.447 nan 4.420 nan 0.000 0.341 5 P C 0.889 177.973 177.300 -0.361 0.000 1.332 5 P CA -0.065 62.935 63.100 -0.166 0.000 0.769 5 P CB -0.236 31.404 31.700 -0.101 0.000 1.726 6 G N -0.308 108.077 108.800 -0.692 0.000 2.224 6 G HA2 0.244 4.204 3.960 -0.000 0.000 0.239 6 G HA3 0.244 4.204 3.960 -0.000 0.000 0.239 6 G C -0.242 174.232 174.900 -0.711 0.000 1.240 6 G CA -0.116 44.161 45.100 -1.371 0.000 0.896 6 G HN 0.215 nan 8.290 nan 0.000 0.496 7 I N 2.029 122.329 120.570 -0.450 0.000 2.395 7 I HA 0.205 4.375 4.170 -0.000 0.000 0.289 7 I C 0.116 176.182 176.117 -0.086 0.000 1.023 7 I CA -1.313 59.865 61.300 -0.203 0.000 1.350 7 I CB 1.743 39.649 38.000 -0.156 0.000 1.409 7 I HN 0.343 nan 8.210 nan 0.000 0.507 8 D N 7.264 127.665 120.400 0.001 0.000 2.432 8 D HA 0.250 4.890 4.640 -0.000 0.000 0.265 8 D C -0.630 175.734 176.300 0.107 0.000 1.160 8 D CA -0.362 53.707 54.000 0.114 0.000 0.911 8 D CB 0.540 41.435 40.800 0.159 0.000 1.052 8 D HN 0.097 nan 8.370 nan 0.000 0.508 9 I N 3.414 124.045 120.570 0.102 0.000 2.472 9 I HA 0.453 4.622 4.170 -0.000 0.000 0.290 9 I C 0.829 177.015 176.117 0.114 0.000 1.016 9 I CA -0.222 61.128 61.300 0.082 0.000 1.348 9 I CB 1.031 39.065 38.000 0.056 0.000 1.417 9 I HN 0.497 nan 8.210 nan 0.000 0.521 10 R N 4.402 124.964 120.500 0.104 0.000 3.231 10 R HA 0.154 4.494 4.340 -0.000 0.000 0.279 10 R C -0.402 175.960 176.300 0.103 0.000 0.990 10 R CA -0.496 55.673 56.100 0.114 0.000 0.879 10 R CB 0.610 30.982 30.300 0.120 0.000 1.289 10 R HN 0.549 nan 8.270 nan 0.000 0.529 11 N N -0.532 118.231 118.700 0.105 0.000 1.922 11 N HA -0.166 4.573 4.740 -0.000 0.000 0.219 11 N C -1.137 174.431 175.510 0.097 0.000 0.931 11 N CA 2.504 55.609 53.050 0.092 0.000 3.603 11 N CB -0.937 37.599 38.487 0.081 0.000 0.737 11 N HN 0.813 nan 8.380 nan 0.000 0.353 12 D N -0.373 120.092 120.400 0.108 0.000 2.492 12 D HA 0.164 4.804 4.640 -0.000 0.000 0.248 12 D C 0.794 177.195 176.300 0.168 0.000 1.101 12 D CA -0.510 53.568 54.000 0.131 0.000 0.840 12 D CB 0.954 41.826 40.800 0.120 0.000 1.209 12 D HN 0.101 nan 8.370 nan 0.000 0.524 13 Y N 2.561 122.877 120.300 0.027 0.000 2.133 13 Y HA -0.340 4.210 4.550 -0.000 0.000 0.279 13 Y C 2.132 178.148 175.900 0.194 0.000 1.209 13 Y CA 2.103 60.212 58.100 0.014 0.000 1.152 13 Y CB -0.002 38.336 38.460 -0.203 0.000 0.961 13 Y HN 0.434 nan 8.280 nan 0.000 0.512 14 Q N -0.559 119.426 119.800 0.309 0.000 2.443 14 Q HA -0.242 4.098 4.340 -0.000 0.000 0.213 14 Q C 1.954 178.077 176.000 0.205 0.000 0.982 14 Q CA 1.187 57.209 55.803 0.365 0.000 0.894 14 Q CB -0.220 28.703 28.738 0.308 0.000 0.947 14 Q HN 0.662 nan 8.270 nan 0.000 0.480 15 Q N 0.176 120.056 119.800 0.133 0.000 2.369 15 Q HA -0.039 4.301 4.340 -0.000 0.000 0.206 15 Q C 1.846 177.855 176.000 0.016 0.000 0.963 15 Q CA 0.561 56.404 55.803 0.067 0.000 0.894 15 Q CB 0.110 28.888 28.738 0.066 0.000 0.965 15 Q HN 0.489 nan 8.270 nan 0.000 0.475 16 L N 0.320 121.556 121.223 0.021 0.000 2.450 16 L HA -0.171 4.168 4.340 -0.000 0.000 0.224 16 L C 1.838 178.645 176.870 -0.105 0.000 1.149 16 L CA 0.883 55.689 54.840 -0.056 0.000 0.816 16 L CB -0.078 41.999 42.059 0.030 0.000 0.932 16 L HN 0.063 nan 8.230 nan 0.000 0.449 17 K N -0.147 120.200 120.400 -0.089 0.000 2.365 17 K HA -0.087 4.233 4.320 -0.000 0.000 0.199 17 K C 1.887 178.461 176.600 -0.043 0.000 1.045 17 K CA 0.560 56.794 56.287 -0.088 0.000 0.962 17 K CB 0.010 32.446 32.500 -0.107 0.000 0.759 17 K HN 0.191 nan 8.250 nan 0.000 0.469 18 R N 0.264 120.728 120.500 -0.061 0.000 2.341 18 R HA -0.054 4.286 4.340 -0.000 0.000 0.213 18 R C 1.046 177.290 176.300 -0.094 0.000 1.082 18 R CA 0.786 56.850 56.100 -0.061 0.000 1.017 18 R CB -0.097 30.170 30.300 -0.055 0.000 0.860 18 R HN 0.182 nan 8.270 nan 0.000 0.473 19 L N 0.070 121.195 121.223 -0.163 0.000 2.766 19 L HA 0.098 4.438 4.340 -0.000 0.000 0.242 19 L C 1.567 178.401 176.870 -0.059 0.000 1.136 19 L CA -0.062 54.633 54.840 -0.241 0.000 0.933 19 L CB 0.080 41.796 42.059 -0.572 0.000 1.241 19 L HN 0.212 nan 8.230 nan 0.000 0.522 20 E N 0.048 120.305 120.200 0.095 0.000 2.333 20 E HA -0.186 4.163 4.350 -0.000 0.000 0.198 20 E C 1.012 177.680 176.600 0.114 0.000 1.007 20 E CA 1.161 57.690 56.400 0.216 0.000 0.845 20 E CB -0.066 29.707 29.700 0.122 0.000 0.766 20 E HN 0.455 nan 8.360 nan 0.000 0.507 21 N N 0.125 118.854 118.700 0.049 0.000 2.332 21 N HA 0.075 4.814 4.740 -0.000 0.000 0.190 21 N C -0.239 175.277 175.510 0.010 0.000 1.117 21 N CA 0.103 53.169 53.050 0.027 0.000 0.883 21 N CB 0.220 38.714 38.487 0.011 0.000 1.089 21 N HN 0.118 nan 8.380 nan 0.000 0.480 22 c N 2.329 120.922 118.600 -0.012 0.000 2.592 22 c HA 0.078 4.648 4.570 -0.000 0.000 0.408 22 c C 2.179 176.240 174.090 -0.048 0.000 1.436 22 c CA 0.029 56.330 56.329 -0.046 0.000 1.595 22 c CB -0.872 41.584 42.510 -0.091 0.000 2.487 22 c HN 0.477 nan 8.230 nan 0.000 0.610 23 T N -0.121 114.394 114.554 -0.065 0.000 3.034 23 T HA 0.149 4.498 4.350 -0.000 0.000 0.248 23 T C 0.271 174.873 174.700 -0.163 0.000 1.040 23 T CA 0.290 62.338 62.100 -0.086 0.000 1.107 23 T CB 0.101 68.926 68.868 -0.072 0.000 0.932 23 T HN 0.415 nan 8.240 nan 0.000 0.474 24 V N 2.319 122.120 119.914 -0.188 0.000 2.483 24 V HA 0.467 4.587 4.120 -0.000 0.000 0.297 24 V C -0.544 175.393 176.094 -0.261 0.000 1.027 24 V CA -1.076 61.036 62.300 -0.312 0.000 0.855 24 V CB 1.830 33.377 31.823 -0.459 0.000 0.995 24 V HN 0.405 nan 8.190 nan 0.000 0.424 25 I N 3.936 124.326 120.570 -0.299 0.000 2.269 25 I HA 0.257 4.426 4.170 -0.000 0.000 0.293 25 I C 0.710 176.669 176.117 -0.263 0.000 1.106 25 I CA -0.007 61.143 61.300 -0.251 0.000 1.248 25 I CB 0.731 38.571 38.000 -0.266 0.000 1.444 25 I HN 0.729 nan 8.210 nan 0.000 0.497 26 E N 6.593 126.692 120.200 -0.169 0.000 1.791 26 E HA 0.426 4.775 4.350 -0.000 0.000 0.263 26 E C 0.384 176.912 176.600 -0.121 0.000 1.213 26 E CA -0.024 56.314 56.400 -0.104 0.000 0.991 26 E CB 0.119 29.906 29.700 0.145 0.000 1.068 26 E HN 0.885 nan 8.360 nan 0.000 0.417 27 G N 2.720 111.419 108.800 -0.170 0.000 2.291 27 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.249 27 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.249 27 G C -1.468 173.268 174.900 -0.273 0.000 1.340 27 G CA -0.378 44.597 45.100 -0.209 0.000 1.017 27 G HN 0.384 nan 8.290 nan 0.000 0.470 28 Y N -0.910 119.197 120.300 -0.321 0.000 2.596 28 Y HA 0.908 5.458 4.550 -0.000 0.000 0.326 28 Y C -0.364 175.268 175.900 -0.448 0.000 1.167 28 Y CA -2.376 55.401 58.100 -0.538 0.000 1.246 28 Y CB 1.301 39.126 38.460 -1.059 0.000 1.347 28 Y HN 0.914 nan 8.280 nan 0.000 0.515 29 L N 1.868 123.060 121.223 -0.051 0.000 2.376 29 L HA 0.470 4.810 4.340 -0.000 0.000 0.275 29 L C -1.664 175.291 176.870 0.142 0.000 0.987 29 L CA -0.694 54.136 54.840 -0.017 0.000 0.828 29 L CB 0.998 42.973 42.059 -0.140 0.000 1.249 29 L HN 0.835 nan 8.230 nan 0.000 0.409 30 H N 6.010 125.142 119.070 0.103 0.000 2.504 30 H HA 0.545 5.101 4.556 -0.000 0.000 0.322 30 H C -0.711 174.659 175.328 0.069 0.000 1.055 30 H CA -0.737 55.342 56.048 0.052 0.000 1.231 30 H CB 1.669 31.454 29.762 0.038 0.000 1.417 30 H HN 0.506 nan 8.280 nan 0.000 0.472 31 I N 6.531 127.223 120.570 0.204 0.000 2.502 31 I HA 0.170 4.340 4.170 -0.000 0.000 0.276 31 I C -0.515 175.708 176.117 0.178 0.000 1.057 31 I CA -0.304 61.101 61.300 0.176 0.000 1.163 31 I CB 0.452 38.560 38.000 0.180 0.000 1.288 31 I HN 0.281 nan 8.210 nan 0.000 0.479 32 L N 3.587 124.918 121.223 0.180 0.000 2.313 32 L HA 0.697 5.037 4.340 -0.000 0.000 0.268 32 L C 0.365 177.349 176.870 0.191 0.000 1.010 32 L CA -1.235 53.748 54.840 0.237 0.000 0.814 32 L CB 1.468 43.690 42.059 0.272 0.000 1.304 32 L HN 0.418 nan 8.230 nan 0.000 0.441 33 L N -0.253 121.081 121.223 0.186 0.000 3.717 33 L HA -0.184 4.156 4.340 -0.000 0.000 0.414 33 L C -0.540 176.388 176.870 0.096 0.000 1.228 33 L CA 0.462 55.379 54.840 0.128 0.000 0.918 33 L CB -1.922 40.226 42.059 0.149 0.000 1.865 33 L HN 0.563 nan 8.230 nan 0.000 0.922 34 I N -0.780 119.844 120.570 0.091 0.000 2.603 34 I HA 0.490 4.660 4.170 -0.000 0.000 0.300 34 I C 0.378 176.522 176.117 0.045 0.000 1.017 34 I CA -0.270 61.087 61.300 0.094 0.000 1.098 34 I CB 2.159 40.252 38.000 0.155 0.000 1.279 34 I HN 0.063 nan 8.210 nan 0.000 0.437 35 S N 5.276 120.981 115.700 0.009 0.000 2.664 35 S HA 0.264 4.734 4.470 -0.000 0.000 0.262 35 S C -0.553 173.943 174.600 -0.174 0.000 1.229 35 S CA -0.678 57.484 58.200 -0.063 0.000 1.151 35 S CB 0.343 63.514 63.200 -0.048 0.000 1.054 35 S HN 0.455 nan 8.310 nan 0.000 0.483 36 K N 2.842 123.051 120.400 -0.318 0.000 2.350 36 K HA 0.412 4.731 4.320 -0.000 0.000 0.279 36 K C 0.068 176.421 176.600 -0.412 0.000 1.027 36 K CA -0.135 55.765 56.287 -0.644 0.000 0.969 36 K CB 0.650 32.615 32.500 -0.890 0.000 0.954 36 K HN 0.646 nan 8.250 nan 0.000 0.474 37 A N 2.758 125.324 122.820 -0.423 0.000 2.320 37 A HA 0.044 4.363 4.320 -0.000 0.000 0.287 37 A C 1.038 178.520 177.584 -0.170 0.000 1.181 37 A CA -0.257 51.654 52.037 -0.210 0.000 0.831 37 A CB 1.080 20.017 19.000 -0.104 0.000 1.102 37 A HN 0.894 nan 8.150 nan 0.000 0.513 38 E N 2.257 122.391 120.200 -0.110 0.000 2.160 38 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 38 E C 1.135 177.712 176.600 -0.039 0.000 0.991 38 E CA 2.167 58.519 56.400 -0.079 0.000 0.810 38 E CB -0.421 29.245 29.700 -0.056 0.000 0.742 38 E HN 0.880 nan 8.360 nan 0.000 0.466 39 D N -0.998 119.393 120.400 -0.015 0.000 2.127 39 D HA -0.077 4.562 4.640 -0.000 0.000 0.206 39 D C 0.712 177.053 176.300 0.068 0.000 0.989 39 D CA 1.461 55.472 54.000 0.019 0.000 0.877 39 D CB -0.442 40.374 40.800 0.027 0.000 1.042 39 D HN 0.553 nan 8.370 nan 0.000 0.455 40 Y N 1.587 121.838 120.300 -0.081 0.000 2.987 40 Y HA -0.179 4.370 4.550 -0.000 0.000 0.339 40 Y C 1.094 176.925 175.900 -0.115 0.000 1.272 40 Y CA -0.792 57.256 58.100 -0.087 0.000 1.562 40 Y CB 0.485 38.885 38.460 -0.100 0.000 1.253 40 Y HN -0.037 nan 8.280 nan 0.000 0.604 41 R N 2.503 123.232 120.500 0.382 0.000 2.244 41 R HA 0.223 4.563 4.340 -0.000 0.000 0.111 41 R C -0.244 176.181 176.300 0.208 0.000 0.601 41 R CA 0.547 56.773 56.100 0.210 0.000 1.800 41 R CB -0.401 29.963 30.300 0.107 0.000 0.620 41 R HN 0.796 nan 8.270 nan 0.000 0.671 42 S N -1.468 114.327 115.700 0.158 0.000 2.607 42 S HA 0.536 5.006 4.470 -0.000 0.000 0.273 42 S C -0.938 173.789 174.600 0.212 0.000 1.148 42 S CA -0.933 57.334 58.200 0.112 0.000 0.833 42 S CB 1.007 64.231 63.200 0.039 0.000 1.130 42 S HN 0.244 nan 8.310 nan 0.000 0.470 43 Y N 1.049 121.424 120.300 0.124 0.000 2.282 43 Y HA 0.762 5.312 4.550 -0.000 0.000 0.335 43 Y C 1.035 176.724 175.900 -0.352 0.000 1.335 43 Y CA -1.003 56.987 58.100 -0.183 0.000 1.529 43 Y CB 0.404 38.727 38.460 -0.229 0.000 1.429 43 Y HN 1.018 nan 8.280 nan 0.000 0.563 44 R N 0.273 120.400 120.500 -0.622 0.000 3.170 44 R HA 0.298 4.638 4.340 -0.000 0.000 0.257 44 R C -2.670 173.192 176.300 -0.730 0.000 1.139 44 R CA -0.365 55.438 56.100 -0.496 0.000 1.158 44 R CB -0.380 29.802 30.300 -0.197 0.000 1.269 44 R HN 0.411 nan 8.270 nan 0.000 0.459 45 F N 6.044 125.988 119.950 -0.009 0.000 2.319 45 F HA 0.421 4.948 4.527 -0.000 0.000 0.356 45 F C -1.475 174.365 175.800 0.067 0.000 1.100 45 F CA -2.261 55.766 58.000 0.046 0.000 1.220 45 F CB 1.561 40.639 39.000 0.130 0.000 1.506 45 F HN 0.408 nan 8.300 nan 0.000 0.512 46 P HA -0.120 nan 4.420 nan 0.000 0.234 46 P C 0.738 178.079 177.300 0.067 0.000 1.167 46 P CA 1.024 64.166 63.100 0.070 0.000 0.763 46 P CB 0.111 31.827 31.700 0.027 0.000 0.835 47 K N -0.815 119.641 120.400 0.092 0.000 2.186 47 K HA 0.026 4.346 4.320 -0.000 0.000 0.202 47 K C 0.856 177.470 176.600 0.024 0.000 1.052 47 K CA -0.040 56.276 56.287 0.049 0.000 0.965 47 K CB -0.550 31.981 32.500 0.052 0.000 0.746 47 K HN 0.089 nan 8.250 nan 0.000 0.457 48 L N 3.536 124.797 121.223 0.062 0.000 2.530 48 L HA -0.020 4.320 4.340 -0.000 0.000 0.273 48 L C 0.782 177.608 176.870 -0.073 0.000 1.141 48 L CA 0.878 55.701 54.840 -0.028 0.000 0.905 48 L CB 0.548 42.589 42.059 -0.030 0.000 1.202 48 L HN 0.298 nan 8.230 nan 0.000 0.473 49 T N 1.124 115.605 114.554 -0.122 0.000 2.959 49 T HA 0.358 4.707 4.350 -0.000 0.000 0.254 49 T C 0.326 174.920 174.700 -0.177 0.000 1.003 49 T CA 0.044 62.066 62.100 -0.129 0.000 0.950 49 T CB 0.170 68.974 68.868 -0.106 0.000 1.090 49 T HN 0.230 nan 8.240 nan 0.000 0.503 50 V N 1.053 120.824 119.914 -0.238 0.000 2.932 50 V HA 0.562 4.682 4.120 -0.000 0.000 0.307 50 V C -1.399 174.492 176.094 -0.338 0.000 1.147 50 V CA -1.089 61.038 62.300 -0.288 0.000 0.951 50 V CB 2.478 34.081 31.823 -0.367 0.000 1.031 50 V HN 0.351 nan 8.190 nan 0.000 0.426 51 I N 2.771 123.158 120.570 -0.304 0.000 2.468 51 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 51 I C 1.148 177.119 176.117 -0.243 0.000 1.039 51 I CA -0.314 60.818 61.300 -0.279 0.000 1.074 51 I CB 2.560 40.428 38.000 -0.219 0.000 1.228 51 I HN 0.859 nan 8.210 nan 0.000 0.436 52 T N 0.520 114.906 114.554 -0.281 0.000 3.088 52 T HA 0.176 4.525 4.350 -0.000 0.000 0.259 52 T C 0.728 175.446 174.700 0.029 0.000 1.122 52 T CA 0.687 62.659 62.100 -0.214 0.000 1.095 52 T CB 0.218 68.884 68.868 -0.337 0.000 0.930 52 T HN 0.603 nan 8.240 nan 0.000 0.508 53 E N 0.194 120.420 120.200 0.043 0.000 3.722 53 E HA 0.385 4.735 4.350 -0.000 0.000 0.276 53 E C -0.650 176.067 176.600 0.197 0.000 0.942 53 E CA -0.711 55.795 56.400 0.177 0.000 1.088 53 E CB 0.509 30.305 29.700 0.160 0.000 2.828 53 E HN 0.575 nan 8.360 nan 0.000 0.539 54 Y N -0.177 120.215 120.300 0.154 0.000 2.633 54 Y HA 0.706 5.255 4.550 -0.000 0.000 0.339 54 Y C -1.023 174.930 175.900 0.088 0.000 1.045 54 Y CA -1.629 56.542 58.100 0.119 0.000 1.098 54 Y CB 0.946 39.495 38.460 0.149 0.000 1.296 54 Y HN 0.110 nan 8.280 nan 0.000 0.494 55 L N 3.461 124.832 121.223 0.245 0.000 2.325 55 L HA 0.693 5.033 4.340 -0.000 0.000 0.281 55 L C -1.807 175.177 176.870 0.190 0.000 1.004 55 L CA -1.015 53.904 54.840 0.131 0.000 0.823 55 L CB 1.466 43.549 42.059 0.040 0.000 1.236 55 L HN 0.748 nan 8.230 nan 0.000 0.415 56 L N 6.377 127.696 121.223 0.160 0.000 2.441 56 L HA 0.648 4.988 4.340 -0.000 0.000 0.270 56 L C -2.034 174.871 176.870 0.058 0.000 0.973 56 L CA -0.486 54.365 54.840 0.019 0.000 0.842 56 L CB 1.629 43.577 42.059 -0.186 0.000 1.239 56 L HN 0.539 nan 8.230 nan 0.000 0.406 57 L N 6.413 127.689 121.223 0.089 0.000 2.298 57 L HA 0.609 4.949 4.340 -0.000 0.000 0.284 57 L C -1.001 175.993 176.870 0.207 0.000 1.013 57 L CA -0.188 54.742 54.840 0.150 0.000 0.824 57 L CB 1.497 43.651 42.059 0.159 0.000 1.221 57 L HN 0.647 nan 8.230 nan 0.000 0.418 58 F N 3.875 123.836 119.950 0.017 0.000 2.536 58 F HA 0.589 5.116 4.527 -0.000 0.000 0.322 58 F C 0.072 175.922 175.800 0.082 0.000 1.144 58 F CA -0.986 57.045 58.000 0.051 0.000 0.924 58 F CB 0.995 39.948 39.000 -0.078 0.000 1.181 58 F HN 0.503 nan 8.300 nan 0.000 0.438 59 R N 3.123 123.443 120.500 -0.301 0.000 3.084 59 R HA -0.063 4.277 4.340 -0.000 0.000 0.258 59 R C -1.737 174.513 176.300 -0.084 0.000 0.914 59 R CA 0.431 56.342 56.100 -0.316 0.000 0.646 59 R CB -1.999 27.979 30.300 -0.536 0.000 1.330 59 R HN 0.373 nan 8.270 nan 0.000 0.465 60 V N 0.747 120.645 119.914 -0.026 0.000 2.531 60 V HA 0.770 4.890 4.120 -0.000 0.000 0.301 60 V C 0.295 176.384 176.094 -0.009 0.000 1.034 60 V CA -0.288 62.023 62.300 0.018 0.000 0.865 60 V CB 1.914 33.780 31.823 0.072 0.000 0.995 60 V HN 0.554 nan 8.190 nan 0.000 0.424 61 A N 3.091 125.896 122.820 -0.026 0.000 2.322 61 A HA 0.891 5.211 4.320 -0.000 0.000 0.327 61 A C 1.129 178.669 177.584 -0.073 0.000 1.134 61 A CA 0.175 52.185 52.037 -0.045 0.000 0.831 61 A CB 1.361 20.330 19.000 -0.052 0.000 1.288 61 A HN 2.027 nan 8.150 nan 0.000 0.472 62 G N -1.144 107.608 108.800 -0.081 0.000 2.268 62 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.240 62 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.240 62 G C 0.129 174.956 174.900 -0.122 0.000 1.010 62 G CA 0.411 45.435 45.100 -0.127 0.000 0.618 62 G HN 1.684 nan 8.290 nan 0.000 0.516 63 L N 1.959 123.138 121.223 -0.073 0.000 2.315 63 L HA 0.609 4.949 4.340 -0.000 0.000 0.283 63 L C 0.998 177.865 176.870 -0.005 0.000 1.089 63 L CA 0.197 55.021 54.840 -0.026 0.000 0.833 63 L CB 0.602 42.684 42.059 0.039 0.000 1.170 63 L HN 0.288 nan 8.230 nan 0.000 0.442 64 E N 2.617 122.814 120.200 -0.005 0.000 2.476 64 E HA 0.177 4.527 4.350 -0.000 0.000 0.196 64 E C -0.345 176.276 176.600 0.037 0.000 1.029 64 E CA 0.017 56.425 56.400 0.012 0.000 0.896 64 E CB 0.429 30.128 29.700 -0.003 0.000 1.012 64 E HN 0.553 nan 8.360 nan 0.000 0.475 65 S N -0.046 115.681 115.700 0.045 0.000 2.658 65 S HA 0.133 4.603 4.470 -0.000 0.000 0.312 65 S C 0.135 174.770 174.600 0.058 0.000 1.006 65 S CA -0.642 57.597 58.200 0.065 0.000 0.855 65 S CB 0.334 63.566 63.200 0.053 0.000 1.053 65 S HN 0.137 nan 8.310 nan 0.000 0.455 66 L N 3.539 124.815 121.223 0.088 0.000 2.240 66 L HA 0.210 4.550 4.340 -0.000 0.000 0.211 66 L C 2.572 179.461 176.870 0.032 0.000 1.106 66 L CA 1.221 56.109 54.840 0.079 0.000 0.793 66 L CB -0.800 41.360 42.059 0.169 0.000 0.927 66 L HN 0.826 nan 8.230 nan 0.000 0.446 67 G N -0.110 108.710 108.800 0.034 0.000 2.471 67 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 67 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 67 G C 1.045 175.956 174.900 0.018 0.000 1.125 67 G CA 0.417 45.516 45.100 -0.002 0.000 0.775 67 G HN 0.270 nan 8.290 nan 0.000 0.548 68 D N 0.425 120.833 120.400 0.015 0.000 2.158 68 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 68 D C 2.479 178.740 176.300 -0.066 0.000 0.995 68 D CA 0.706 54.702 54.000 -0.006 0.000 0.846 68 D CB -0.004 40.795 40.800 -0.001 0.000 0.941 68 D HN 0.349 nan 8.370 nan 0.000 0.456 69 L N -1.527 119.592 121.223 -0.173 0.000 2.185 69 L HA 0.099 4.439 4.340 -0.000 0.000 0.198 69 L C 0.564 177.221 176.870 -0.355 0.000 1.079 69 L CA 0.396 55.014 54.840 -0.371 0.000 0.780 69 L CB 0.003 41.519 42.059 -0.904 0.000 0.955 69 L HN -0.126 nan 8.230 nan 0.000 0.462 70 F N 0.667 120.670 119.950 0.089 0.000 2.434 70 F HA 0.296 4.823 4.527 -0.000 0.000 0.316 70 F C -1.555 174.162 175.800 -0.137 0.000 1.222 70 F CA -1.729 56.277 58.000 0.009 0.000 1.207 70 F CB 0.075 39.065 39.000 -0.017 0.000 1.466 70 F HN -0.068 nan 8.300 nan 0.000 0.545 71 P HA -0.147 nan 4.420 nan 0.000 0.229 71 P C 0.146 177.175 177.300 -0.451 0.000 1.150 71 P CA 1.299 64.221 63.100 -0.297 0.000 0.765 71 P CB 0.343 32.016 31.700 -0.045 0.000 0.783 72 N N -1.071 117.500 118.700 -0.216 0.000 2.184 72 N HA 0.082 4.822 4.740 -0.000 0.000 0.234 72 N C 0.085 175.509 175.510 -0.144 0.000 1.282 72 N CA -0.394 52.548 53.050 -0.180 0.000 0.877 72 N CB 0.645 39.089 38.487 -0.070 0.000 1.184 72 N HN 0.075 nan 8.380 nan 0.000 0.510 73 L N 1.784 122.928 121.223 -0.132 0.000 2.513 73 L HA 0.074 4.413 4.340 -0.000 0.000 0.272 73 L C 0.872 177.651 176.870 -0.152 0.000 1.187 73 L CA 1.241 55.999 54.840 -0.138 0.000 0.895 73 L CB 0.665 42.641 42.059 -0.137 0.000 1.147 73 L HN -0.047 nan 8.230 nan 0.000 0.483 74 T N 3.030 117.510 114.554 -0.124 0.000 2.989 74 T HA 0.280 4.630 4.350 -0.000 0.000 0.250 74 T C -0.044 174.622 174.700 -0.057 0.000 0.981 74 T CA 0.187 62.232 62.100 -0.091 0.000 0.980 74 T CB 0.445 69.268 68.868 -0.076 0.000 1.133 74 T HN 0.285 nan 8.240 nan 0.000 0.489 75 V N 2.088 121.956 119.914 -0.077 0.000 2.709 75 V HA 0.537 4.657 4.120 -0.000 0.000 0.308 75 V C -1.216 174.835 176.094 -0.072 0.000 1.062 75 V CA -1.008 61.261 62.300 -0.053 0.000 0.901 75 V CB 2.300 34.083 31.823 -0.065 0.000 1.003 75 V HN 0.284 nan 8.190 nan 0.000 0.425 76 I N 4.275 124.834 120.570 -0.019 0.000 2.371 76 I HA 0.447 4.617 4.170 -0.000 0.000 0.282 76 I C 1.260 177.392 176.117 0.025 0.000 1.031 76 I CA -0.360 60.935 61.300 -0.008 0.000 1.180 76 I CB 1.367 39.395 38.000 0.047 0.000 1.336 76 I HN 0.674 nan 8.210 nan 0.000 0.467 77 R N 5.044 125.547 120.500 0.004 0.000 2.148 77 R HA 0.019 4.359 4.340 -0.000 0.000 0.223 77 R C 1.383 177.747 176.300 0.107 0.000 1.088 77 R CA 1.181 57.299 56.100 0.030 0.000 0.985 77 R CB 0.001 30.282 30.300 -0.030 0.000 0.880 77 R HN 0.887 nan 8.270 nan 0.000 0.451 78 G N 0.462 109.348 108.800 0.143 0.000 2.323 78 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.292 78 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.292 78 G C 0.050 175.084 174.900 0.223 0.000 1.040 78 G CA 0.490 45.700 45.100 0.182 0.000 0.942 78 G HN 0.641 nan 8.290 nan 0.000 0.506 79 W N 0.020 121.352 121.300 0.053 0.000 2.465 79 W HA 0.360 5.020 4.660 -0.000 0.000 0.268 79 W C 1.018 177.586 176.519 0.082 0.000 1.242 79 W CA 1.271 58.651 57.345 0.057 0.000 1.248 79 W CB 0.279 29.770 29.460 0.052 0.000 1.118 79 W HN 0.219 nan 8.180 nan 0.000 0.587 80 K N -0.095 120.395 120.400 0.149 0.000 2.501 80 K HA 0.423 4.743 4.320 -0.000 0.000 0.252 80 K C -1.263 175.487 176.600 0.250 0.000 0.934 80 K CA -0.418 55.902 56.287 0.055 0.000 0.797 80 K CB 2.061 34.611 32.500 0.083 0.000 1.270 80 K HN -0.250 nan 8.250 nan 0.000 0.431 81 L N 2.175 123.469 121.223 0.118 0.000 2.322 81 L HA 0.563 4.903 4.340 -0.000 0.000 0.269 81 L C -0.418 176.347 176.870 -0.175 0.000 1.012 81 L CA -0.993 53.889 54.840 0.071 0.000 0.815 81 L CB 0.925 42.963 42.059 -0.035 0.000 1.295 81 L HN 0.544 nan 8.230 nan 0.000 0.438 82 F N 2.312 121.802 119.950 -0.766 0.000 2.515 82 F HA 0.324 4.851 4.527 -0.000 0.000 0.353 82 F C 0.486 176.081 175.800 -0.342 0.000 1.213 82 F CA -0.149 57.360 58.000 -0.819 0.000 1.194 82 F CB -0.691 37.593 39.000 -1.192 0.000 1.488 82 F HN 0.478 nan 8.300 nan 0.000 0.619 83 Y N 3.887 123.903 120.300 -0.472 0.000 2.951 83 Y HA -0.343 4.207 4.550 -0.000 0.000 0.173 83 Y C 1.023 176.649 175.900 -0.457 0.000 1.593 83 Y CA 0.511 58.372 58.100 -0.398 0.000 0.902 83 Y CB -2.484 35.737 38.460 -0.397 0.000 1.452 83 Y HN 0.928 nan 8.280 nan 0.000 0.358 84 N N -3.374 115.070 118.700 -0.425 0.000 2.961 84 N HA -0.224 4.516 4.740 -0.000 0.000 0.223 84 N C -0.156 175.050 175.510 -0.507 0.000 0.866 84 N CA 1.973 54.715 53.050 -0.513 0.000 1.030 84 N CB -1.320 36.743 38.487 -0.706 0.000 1.037 84 N HN 1.081 nan 8.380 nan 0.000 0.608 85 Y N 0.342 120.620 120.300 -0.036 0.000 2.342 85 Y HA 0.568 5.118 4.550 -0.000 0.000 0.334 85 Y C 1.296 177.209 175.900 0.021 0.000 1.067 85 Y CA -0.076 58.024 58.100 0.001 0.000 1.128 85 Y CB 1.507 39.984 38.460 0.029 0.000 1.200 85 Y HN 0.084 nan 8.280 nan 0.000 0.464 86 A N 2.817 125.760 122.820 0.205 0.000 2.147 86 A HA 0.195 4.515 4.320 -0.000 0.000 0.211 86 A C -0.188 177.524 177.584 0.214 0.000 1.160 86 A CA 0.487 52.648 52.037 0.206 0.000 0.781 86 A CB 0.277 19.374 19.000 0.161 0.000 0.842 86 A HN 0.509 nan 8.150 nan 0.000 0.475 87 L N 0.017 121.340 121.223 0.167 0.000 2.555 87 L HA 0.558 4.898 4.340 -0.000 0.000 0.264 87 L C -1.599 175.298 176.870 0.045 0.000 0.972 87 L CA -0.476 54.433 54.840 0.115 0.000 0.876 87 L CB 1.753 43.869 42.059 0.095 0.000 1.216 87 L HN -0.124 nan 8.230 nan 0.000 0.415 88 V N 6.473 126.393 119.914 0.010 0.000 2.448 88 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 88 V C -0.066 176.030 176.094 0.003 0.000 1.025 88 V CA -0.295 61.960 62.300 -0.075 0.000 0.859 88 V CB 1.861 33.540 31.823 -0.239 0.000 0.988 88 V HN 0.618 nan 8.190 nan 0.000 0.431 89 I N 5.754 126.355 120.570 0.053 0.000 2.495 89 I HA 0.408 4.578 4.170 -0.000 0.000 0.277 89 I C -1.098 175.113 176.117 0.156 0.000 1.045 89 I CA -0.114 61.252 61.300 0.109 0.000 1.135 89 I CB 1.023 39.085 38.000 0.102 0.000 1.241 89 I HN 0.531 nan 8.210 nan 0.000 0.469 90 F N 5.432 125.386 119.950 0.005 0.000 2.493 90 F HA 0.389 4.915 4.527 -0.000 0.000 0.329 90 F C 0.690 176.426 175.800 -0.107 0.000 1.126 90 F CA -0.183 57.809 58.000 -0.014 0.000 0.937 90 F CB 0.975 40.018 39.000 0.070 0.000 1.146 90 F HN 0.441 nan 8.300 nan 0.000 0.442 91 E N 4.469 124.442 120.200 -0.379 0.000 2.252 91 E HA -0.276 4.074 4.350 -0.000 0.000 0.218 91 E C -0.601 175.902 176.600 -0.162 0.000 1.253 91 E CA 0.295 56.498 56.400 -0.329 0.000 0.705 91 E CB -0.801 28.699 29.700 -0.334 0.000 1.172 91 E HN 0.571 nan 8.360 nan 0.000 0.369 92 M N 1.517 121.059 119.600 -0.097 0.000 2.664 92 M HA 0.086 4.566 4.480 -0.000 0.000 0.332 92 M C -0.212 176.063 176.300 -0.043 0.000 1.354 92 M CA 0.259 55.538 55.300 -0.035 0.000 1.399 92 M CB 0.611 33.220 32.600 0.016 0.000 1.224 92 M HN -0.058 nan 8.290 nan 0.000 0.479 93 T N 4.319 118.839 114.554 -0.056 0.000 2.930 93 T HA 0.190 4.540 4.350 -0.000 0.000 0.306 93 T C 0.819 175.502 174.700 -0.029 0.000 1.045 93 T CA 0.435 62.506 62.100 -0.048 0.000 1.134 93 T CB 0.223 69.059 68.868 -0.053 0.000 0.961 93 T HN 0.922 nan 8.240 nan 0.000 0.545 94 N N -1.397 117.290 118.700 -0.023 0.000 2.920 94 N HA -0.156 4.584 4.740 -0.000 0.000 0.199 94 N C -0.325 175.188 175.510 0.005 0.000 0.997 94 N CA 0.391 53.432 53.050 -0.015 0.000 1.034 94 N CB -1.232 37.237 38.487 -0.029 0.000 0.977 94 N HN 0.495 nan 8.380 nan 0.000 0.579 95 L N 2.248 123.481 121.223 0.015 0.000 2.500 95 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 95 L C 0.905 177.812 176.870 0.061 0.000 1.149 95 L CA 0.981 55.848 54.840 0.044 0.000 0.897 95 L CB 0.545 42.639 42.059 0.059 0.000 1.178 95 L HN 0.059 nan 8.230 nan 0.000 0.473 96 K N 2.286 122.730 120.400 0.074 0.000 2.353 96 K HA 0.178 4.498 4.320 -0.000 0.000 0.195 96 K C -0.694 176.000 176.600 0.157 0.000 1.031 96 K CA 0.414 56.760 56.287 0.098 0.000 1.079 96 K CB 0.229 32.779 32.500 0.084 0.000 0.857 96 K HN 0.923 nan 8.250 nan 0.000 0.535 97 D N -2.736 117.761 120.400 0.161 0.000 2.807 97 D HA 0.062 4.702 4.640 -0.000 0.000 0.279 97 D C 0.420 176.863 176.300 0.238 0.000 1.247 97 D CA -0.727 53.410 54.000 0.227 0.000 0.749 97 D CB 0.140 41.078 40.800 0.230 0.000 1.264 97 D HN -0.244 nan 8.370 nan 0.000 0.421 98 I N 0.235 121.007 120.570 0.338 0.000 2.235 98 I HA 0.108 4.277 4.170 -0.000 0.000 0.241 98 I C 2.152 178.434 176.117 0.274 0.000 1.085 98 I CA 1.338 62.858 61.300 0.367 0.000 1.378 98 I CB -0.944 37.406 38.000 0.584 0.000 1.076 98 I HN 0.908 nan 8.210 nan 0.000 0.415 99 G N 1.486 110.476 108.800 0.317 0.000 2.196 99 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.268 99 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.268 99 G C 0.643 175.474 174.900 -0.116 0.000 0.975 99 G CA 0.090 45.299 45.100 0.181 0.000 0.648 99 G HN 0.367 nan 8.290 nan 0.000 0.538 100 L N 1.542 122.538 121.223 -0.378 0.000 3.515 100 L HA 0.063 4.403 4.340 -0.000 0.000 0.248 100 L C 1.866 177.846 176.870 -1.482 0.000 1.499 100 L CA 0.333 54.732 54.840 -0.734 0.000 1.101 100 L CB -0.983 40.792 42.059 -0.473 0.000 1.434 100 L HN 0.558 nan 8.230 nan 0.000 0.451 101 Y N -1.941 117.752 120.300 -1.011 0.000 2.553 101 Y HA 0.079 4.629 4.550 -0.000 0.000 0.303 101 Y C 1.252 176.843 175.900 -0.515 0.000 1.194 101 Y CA -0.058 57.462 58.100 -0.966 0.000 1.305 101 Y CB -0.547 37.695 38.460 -0.364 0.000 1.045 101 Y HN 0.331 nan 8.280 nan 0.000 0.514 102 N N 0.572 118.876 118.700 -0.660 0.000 2.197 102 N HA 0.087 4.826 4.740 -0.000 0.000 0.228 102 N C -0.709 174.663 175.510 -0.229 0.000 1.212 102 N CA -0.187 52.685 53.050 -0.296 0.000 0.883 102 N CB 0.541 38.842 38.487 -0.310 0.000 1.107 102 N HN 0.260 nan 8.380 nan 0.000 0.519 103 L N 2.483 123.507 121.223 -0.332 0.000 2.456 103 L HA 0.153 4.493 4.340 -0.000 0.000 0.277 103 L C 1.006 177.907 176.870 0.052 0.000 1.124 103 L CA 0.518 55.285 54.840 -0.123 0.000 0.880 103 L CB 0.358 42.340 42.059 -0.128 0.000 1.192 103 L HN -0.069 nan 8.230 nan 0.000 0.463 104 R N 3.184 123.720 120.500 0.061 0.000 2.446 104 R HA 0.321 4.661 4.340 -0.000 0.000 0.254 104 R C -0.196 176.168 176.300 0.107 0.000 0.918 104 R CA -0.040 56.119 56.100 0.098 0.000 1.069 104 R CB -0.074 30.267 30.300 0.069 0.000 1.194 104 R HN 0.710 nan 8.270 nan 0.000 0.534 105 N N 0.621 119.383 118.700 0.104 0.000 2.600 105 N HA 0.188 4.928 4.740 -0.000 0.000 0.272 105 N C -1.537 174.040 175.510 0.111 0.000 1.095 105 N CA -0.310 52.803 53.050 0.106 0.000 0.993 105 N CB 1.732 40.258 38.487 0.066 0.000 1.603 105 N HN -0.087 nan 8.380 nan 0.000 0.526 106 I N 3.275 123.932 120.570 0.145 0.000 2.307 106 I HA 0.132 4.301 4.170 -0.000 0.000 0.287 106 I C 1.446 177.625 176.117 0.105 0.000 1.054 106 I CA -0.167 61.215 61.300 0.136 0.000 1.218 106 I CB 1.156 39.266 38.000 0.183 0.000 1.398 106 I HN 0.509 nan 8.210 nan 0.000 0.475 107 T N 4.562 119.162 114.554 0.076 0.000 3.007 107 T HA -0.016 4.334 4.350 -0.000 0.000 0.270 107 T C 0.800 175.541 174.700 0.068 0.000 1.107 107 T CA 0.869 63.003 62.100 0.057 0.000 1.118 107 T CB -0.115 68.772 68.868 0.032 0.000 0.889 107 T HN 0.498 nan 8.240 nan 0.000 0.506 108 R N -0.759 119.791 120.500 0.083 0.000 2.604 108 R HA 0.471 4.811 4.340 -0.000 0.000 0.261 108 R C -0.542 175.802 176.300 0.073 0.000 1.080 108 R CA 0.228 56.373 56.100 0.074 0.000 0.917 108 R CB 1.164 31.513 30.300 0.082 0.000 1.252 108 R HN 0.306 nan 8.270 nan 0.000 0.456 109 G N 1.052 109.877 108.800 0.042 0.000 2.828 109 G HA2 0.134 4.094 3.960 -0.000 0.000 0.463 109 G HA3 0.134 4.094 3.960 -0.000 0.000 0.463 109 G C -0.757 174.174 174.900 0.052 0.000 1.394 109 G CA -0.226 44.886 45.100 0.020 0.000 0.862 109 G HN 0.906 nan 8.290 nan 0.000 0.540 110 A N -0.679 122.174 122.820 0.056 0.000 2.616 110 A HA 0.995 5.315 4.320 -0.000 0.000 0.253 110 A C 0.338 178.040 177.584 0.198 0.000 1.239 110 A CA 0.008 52.111 52.037 0.111 0.000 0.914 110 A CB 0.991 20.061 19.000 0.118 0.000 1.454 110 A HN 2.373 nan 8.150 nan 0.000 0.460 111 I N -2.525 118.130 120.570 0.142 0.000 2.828 111 I HA 0.829 4.998 4.170 -0.000 0.000 0.302 111 I C -0.665 175.396 176.117 -0.094 0.000 1.101 111 I CA -0.839 60.457 61.300 -0.007 0.000 1.031 111 I CB 2.196 39.982 38.000 -0.357 0.000 1.231 111 I HN 0.656 nan 8.210 nan 0.000 0.427 112 R N 6.060 126.410 120.500 -0.249 0.000 2.468 112 R HA 0.613 4.953 4.340 -0.000 0.000 0.302 112 R C -1.882 174.339 176.300 -0.131 0.000 1.041 112 R CA -0.490 55.409 56.100 -0.335 0.000 0.899 112 R CB 1.266 31.079 30.300 -0.811 0.000 1.167 112 R HN 0.842 nan 8.270 nan 0.000 0.483 113 I N 3.840 124.378 120.570 -0.054 0.000 2.503 113 I HA 0.284 4.454 4.170 -0.000 0.000 0.277 113 I C -0.358 175.769 176.117 0.018 0.000 1.078 113 I CA -0.376 60.920 61.300 -0.007 0.000 1.184 113 I CB 1.355 39.350 38.000 -0.008 0.000 1.353 113 I HN 0.579 nan 8.210 nan 0.000 0.490 114 E N 5.708 125.918 120.200 0.017 0.000 2.244 114 E HA 0.350 4.700 4.350 -0.000 0.000 0.266 114 E C -0.453 175.994 176.600 -0.255 0.000 0.914 114 E CA -0.828 55.548 56.400 -0.041 0.000 0.794 114 E CB 1.191 30.930 29.700 0.065 0.000 1.210 114 E HN 0.313 nan 8.360 nan 0.000 0.414 115 K N 2.749 122.985 120.400 -0.272 0.000 4.526 115 K HA -0.216 4.104 4.320 -0.000 0.000 0.273 115 K C -0.793 175.670 176.600 -0.227 0.000 0.738 115 K CA 0.415 56.540 56.287 -0.270 0.000 0.703 115 K CB -1.301 30.986 32.500 -0.355 0.000 1.970 115 K HN 0.410 nan 8.250 nan 0.000 0.403 116 N N 0.845 119.469 118.700 -0.127 0.000 2.976 116 N HA 0.168 4.908 4.740 -0.000 0.000 0.255 116 N C 1.077 176.557 175.510 -0.049 0.000 1.312 116 N CA 0.412 53.415 53.050 -0.079 0.000 0.897 116 N CB 1.449 39.918 38.487 -0.030 0.000 1.184 116 N HN 0.464 nan 8.380 nan 0.000 0.497 117 A N 1.068 123.851 122.820 -0.062 0.000 1.969 117 A HA -0.220 4.099 4.320 -0.000 0.000 0.223 117 A C 1.183 178.754 177.584 -0.021 0.000 1.218 117 A CA 1.695 53.706 52.037 -0.043 0.000 0.667 117 A CB -0.065 18.907 19.000 -0.047 0.000 0.826 117 A HN 0.474 nan 8.150 nan 0.000 0.472 118 D N -1.483 118.911 120.400 -0.010 0.000 2.402 118 D HA 0.222 4.862 4.640 -0.000 0.000 0.216 118 D C -0.148 176.171 176.300 0.032 0.000 1.128 118 D CA -0.390 53.615 54.000 0.008 0.000 0.833 118 D CB 0.126 40.932 40.800 0.009 0.000 0.971 118 D HN 0.337 nan 8.370 nan 0.000 0.503 119 L N 1.396 122.640 121.223 0.035 0.000 2.410 119 L HA 0.121 4.461 4.340 -0.000 0.000 0.273 119 L C -0.238 176.678 176.870 0.078 0.000 1.152 119 L CA 0.212 55.096 54.840 0.073 0.000 0.855 119 L CB 0.446 42.551 42.059 0.077 0.000 1.129 119 L HN -0.011 nan 8.230 nan 0.000 0.463 120 c N 2.237 120.913 118.600 0.127 0.000 3.327 120 c HA 0.410 4.980 4.570 -0.000 0.000 0.366 120 c C -0.296 173.900 174.090 0.176 0.000 2.438 120 c CA -0.827 55.551 56.329 0.081 0.000 1.438 120 c CB 0.746 43.284 42.510 0.047 0.000 2.876 120 c HN 0.793 nan 8.230 nan 0.000 0.483 121 Y N 0.026 120.352 120.300 0.043 0.000 3.491 121 Y HA -0.209 4.341 4.550 -0.000 0.000 0.215 121 Y C 0.897 176.817 175.900 0.034 0.000 1.219 121 Y CA 0.720 58.840 58.100 0.034 0.000 1.485 121 Y CB -1.177 37.327 38.460 0.074 0.000 1.450 121 Y HN 0.515 nan 8.280 nan 0.000 0.603 122 L N -0.975 120.288 121.223 0.067 0.000 2.526 122 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 122 L C 2.086 178.997 176.870 0.068 0.000 1.048 122 L CA 1.058 55.966 54.840 0.114 0.000 0.852 122 L CB 0.030 42.160 42.059 0.117 0.000 1.128 122 L HN 0.383 nan 8.230 nan 0.000 0.482 123 S N -1.654 114.047 115.700 0.001 0.000 2.515 123 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 123 S C 1.452 176.014 174.600 -0.063 0.000 0.987 123 S CA 0.934 59.124 58.200 -0.016 0.000 0.936 123 S CB -0.758 62.420 63.200 -0.037 0.000 0.766 123 S HN 0.561 nan 8.310 nan 0.000 0.528 124 T N -0.515 113.978 114.554 -0.101 0.000 3.235 124 T HA 0.435 4.785 4.350 -0.000 0.000 0.251 124 T C 0.170 174.724 174.700 -0.244 0.000 1.060 124 T CA -0.428 61.596 62.100 -0.126 0.000 0.949 124 T CB -0.263 68.560 68.868 -0.074 0.000 1.020 124 T HN 0.161 nan 8.240 nan 0.000 0.564 125 V N 1.642 121.348 119.914 -0.347 0.000 2.581 125 V HA 0.463 4.582 4.120 -0.000 0.000 0.303 125 V C -0.553 175.224 176.094 -0.528 0.000 1.041 125 V CA -1.032 60.852 62.300 -0.694 0.000 0.907 125 V CB 1.838 32.935 31.823 -1.209 0.000 0.994 125 V HN 0.296 nan 8.190 nan 0.000 0.442 126 D N 2.766 122.871 120.400 -0.493 0.000 2.493 126 D HA 0.201 4.841 4.640 -0.000 0.000 0.235 126 D C 0.516 176.700 176.300 -0.194 0.000 1.117 126 D CA -0.433 53.428 54.000 -0.231 0.000 0.930 126 D CB 0.489 41.207 40.800 -0.137 0.000 1.010 126 D HN 0.557 nan 8.370 nan 0.000 0.514 127 W N 1.681 122.961 121.300 -0.033 0.000 2.424 127 W HA -0.166 4.493 4.660 -0.000 0.000 0.264 127 W C 2.463 179.010 176.519 0.046 0.000 1.229 127 W CA 0.801 58.160 57.345 0.023 0.000 1.208 127 W CB -0.040 29.442 29.460 0.038 0.000 1.127 127 W HN 0.406 nan 8.180 nan 0.000 0.588 128 S N -0.422 115.395 115.700 0.195 0.000 2.461 128 S HA -0.065 4.404 4.470 -0.000 0.000 0.228 128 S C 1.633 176.301 174.600 0.113 0.000 1.005 128 S CA 0.610 58.898 58.200 0.146 0.000 0.942 128 S CB -0.634 62.627 63.200 0.103 0.000 0.776 128 S HN 0.311 nan 8.310 nan 0.000 0.514 129 L N 0.402 121.676 121.223 0.084 0.000 2.141 129 L HA 0.082 4.422 4.340 -0.000 0.000 0.209 129 L C 2.303 179.237 176.870 0.106 0.000 1.094 129 L CA 1.203 56.086 54.840 0.073 0.000 0.763 129 L CB -0.495 41.584 42.059 0.035 0.000 0.908 129 L HN 0.364 nan 8.230 nan 0.000 0.437 130 I N -1.334 119.327 120.570 0.151 0.000 2.731 130 I HA -0.022 4.147 4.170 -0.000 0.000 0.260 130 I C 0.489 176.742 176.117 0.227 0.000 1.138 130 I CA 0.401 61.828 61.300 0.211 0.000 1.461 130 I CB 0.493 38.680 38.000 0.312 0.000 1.128 130 I HN 0.043 nan 8.210 nan 0.000 0.438 131 L N 0.043 121.414 121.223 0.247 0.000 2.381 131 L HA 0.279 4.619 4.340 -0.000 0.000 0.268 131 L C 0.179 177.138 176.870 0.148 0.000 0.997 131 L CA -0.233 54.727 54.840 0.200 0.000 0.818 131 L CB 2.348 44.551 42.059 0.241 0.000 1.310 131 L HN -0.173 nan 8.230 nan 0.000 0.416 132 D N 1.757 122.223 120.400 0.111 0.000 2.077 132 D HA -0.025 4.615 4.640 -0.000 0.000 0.197 132 D C 1.059 177.409 176.300 0.083 0.000 0.983 132 D CA 1.584 55.637 54.000 0.087 0.000 0.841 132 D CB 0.078 40.919 40.800 0.069 0.000 0.992 132 D HN 0.553 nan 8.370 nan 0.000 0.450 133 A N 0.800 123.664 122.820 0.073 0.000 3.004 133 A HA 0.169 4.489 4.320 -0.000 0.000 0.252 133 A C 1.625 179.250 177.584 0.068 0.000 1.802 133 A CA 0.049 52.121 52.037 0.060 0.000 1.424 133 A CB -0.989 18.036 19.000 0.043 0.000 1.005 133 A HN 0.193 nan 8.150 nan 0.000 0.631 134 V N -1.120 118.844 119.914 0.083 0.000 2.759 134 V HA -0.196 3.924 4.120 -0.000 0.000 0.256 134 V C 2.242 178.373 176.094 0.063 0.000 1.080 134 V CA 2.088 64.440 62.300 0.087 0.000 1.101 134 V CB -1.431 30.460 31.823 0.114 0.000 0.698 134 V HN 0.805 nan 8.190 nan 0.000 0.477 135 S N 1.017 116.750 115.700 0.055 0.000 2.440 135 S HA -0.167 4.303 4.470 -0.000 0.000 0.238 135 S C 1.613 176.244 174.600 0.051 0.000 1.010 135 S CA 1.601 59.829 58.200 0.045 0.000 0.972 135 S CB -0.794 62.429 63.200 0.038 0.000 0.774 135 S HN 0.647 nan 8.310 nan 0.000 0.501 136 N N 1.858 120.594 118.700 0.059 0.000 2.336 136 N HA 0.183 4.923 4.740 -0.000 0.000 0.189 136 N C -0.502 175.099 175.510 0.150 0.000 1.113 136 N CA 0.029 53.128 53.050 0.081 0.000 0.858 136 N CB -0.366 38.144 38.487 0.039 0.000 0.970 136 N HN 0.393 nan 8.380 nan 0.000 0.471 137 N N 0.553 119.316 118.700 0.106 0.000 2.416 137 N HA -0.065 4.675 4.740 -0.000 0.000 0.246 137 N C -0.713 174.891 175.510 0.158 0.000 1.260 137 N CA 0.264 53.373 53.050 0.098 0.000 0.897 137 N CB 0.363 38.820 38.487 -0.051 0.000 1.110 137 N HN 0.176 nan 8.380 nan 0.000 0.439 138 Y N 1.796 122.103 120.300 0.011 0.000 2.426 138 Y HA 0.458 5.008 4.550 -0.000 0.000 0.325 138 Y C -1.052 174.804 175.900 -0.074 0.000 0.989 138 Y CA -0.639 57.453 58.100 -0.012 0.000 1.284 138 Y CB 0.383 38.838 38.460 -0.009 0.000 1.104 138 Y HN 0.337 nan 8.280 nan 0.000 0.481 139 I N 7.107 127.553 120.570 -0.207 0.000 2.436 139 I HA 0.654 4.824 4.170 -0.000 0.000 0.289 139 I C -1.232 174.766 176.117 -0.200 0.000 1.010 139 I CA -1.133 60.090 61.300 -0.128 0.000 1.098 139 I CB 1.662 39.605 38.000 -0.093 0.000 1.266 139 I HN 0.373 nan 8.210 nan 0.000 0.434 140 V N 4.156 124.011 119.914 -0.098 0.000 2.963 140 V HA 0.553 4.673 4.120 -0.000 0.000 0.272 140 V C 0.151 176.218 176.094 -0.044 0.000 1.559 140 V CA 0.541 62.787 62.300 -0.091 0.000 0.959 140 V CB 1.902 33.649 31.823 -0.126 0.000 1.202 140 V HN 1.048 nan 8.190 nan 0.000 0.447 141 G N 3.915 112.685 108.800 -0.051 0.000 2.131 141 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.201 141 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.201 141 G C -0.079 174.785 174.900 -0.060 0.000 1.000 141 G CA 0.268 45.333 45.100 -0.058 0.000 0.680 141 G HN 0.857 nan 8.290 nan 0.000 0.514 142 N N -0.126 118.549 118.700 -0.043 0.000 2.566 142 N HA 0.478 5.218 4.740 -0.000 0.000 0.299 142 N C 0.369 175.865 175.510 -0.024 0.000 1.277 142 N CA -0.463 52.570 53.050 -0.028 0.000 0.965 142 N CB 0.578 39.062 38.487 -0.005 0.000 1.142 142 N HN 0.431 nan 8.380 nan 0.000 0.596 143 K N 1.001 121.393 120.400 -0.013 0.000 2.298 143 K HA 0.296 4.616 4.320 -0.000 0.000 0.280 143 K C -2.444 174.144 176.600 -0.021 0.000 1.032 143 K CA -1.072 55.206 56.287 -0.015 0.000 0.958 143 K CB 0.347 32.843 32.500 -0.005 0.000 0.978 143 K HN 0.201 nan 8.250 nan 0.000 0.472 144 P HA 0.118 nan 4.420 nan 0.000 0.276 144 P C -2.345 174.933 177.300 -0.037 0.000 1.253 144 P CA -1.474 61.609 63.100 -0.029 0.000 0.766 144 P CB 1.053 32.737 31.700 -0.026 0.000 0.845 145 P HA -0.258 nan 4.420 nan 0.000 0.218 145 P C 1.470 178.733 177.300 -0.061 0.000 1.154 145 P CA 1.828 64.891 63.100 -0.061 0.000 0.872 145 P CB 0.128 31.795 31.700 -0.055 0.000 0.790 146 K N 0.252 120.626 120.400 -0.043 0.000 2.057 146 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 146 K C 1.836 178.416 176.600 -0.033 0.000 1.050 146 K CA 1.512 57.778 56.287 -0.035 0.000 0.935 146 K CB -0.300 32.184 32.500 -0.027 0.000 0.715 146 K HN 0.137 nan 8.250 nan 0.000 0.439 147 E N -0.161 120.021 120.200 -0.030 0.000 2.216 147 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 147 E C 2.173 178.754 176.600 -0.031 0.000 0.988 147 E CA 0.869 57.254 56.400 -0.025 0.000 0.834 147 E CB -0.125 29.563 29.700 -0.020 0.000 0.772 147 E HN 0.339 nan 8.360 nan 0.000 0.479 148 c N 0.542 119.113 118.600 -0.048 0.000 2.436 148 c HA 0.002 4.571 4.570 -0.000 0.000 0.277 148 c C 1.870 175.913 174.090 -0.079 0.000 1.241 148 c CA 1.045 57.334 56.329 -0.067 0.000 1.721 148 c CB -1.267 41.170 42.510 -0.121 0.000 2.043 148 c HN 0.727 nan 8.230 nan 0.000 0.472 149 G N 1.782 110.528 108.800 -0.090 0.000 2.295 149 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.287 149 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.287 149 G C -0.647 174.183 174.900 -0.115 0.000 1.055 149 G CA 0.377 45.431 45.100 -0.077 0.000 0.922 149 G HN 0.587 nan 8.290 nan 0.000 0.503 150 D N -0.456 119.793 120.400 -0.252 0.000 2.414 150 D HA 0.454 5.094 4.640 -0.000 0.000 0.242 150 D C 0.826 177.036 176.300 -0.151 0.000 1.129 150 D CA 0.460 54.186 54.000 -0.457 0.000 0.885 150 D CB 1.137 41.332 40.800 -1.009 0.000 1.198 150 D HN 0.320 nan 8.370 nan 0.000 0.437 151 L N 1.807 123.069 121.223 0.064 0.000 2.439 151 L HA 0.276 4.616 4.340 -0.000 0.000 0.270 151 L C -0.265 176.697 176.870 0.154 0.000 0.972 151 L CA -0.826 54.065 54.840 0.085 0.000 0.836 151 L CB 1.864 43.956 42.059 0.055 0.000 1.255 151 L HN 0.369 nan 8.230 nan 0.000 0.404 152 c N 3.085 121.729 118.600 0.073 0.000 2.649 152 c HA 0.235 4.805 4.570 -0.000 0.000 0.377 152 c C -1.880 172.176 174.090 -0.057 0.000 1.321 152 c CA -0.772 55.579 56.329 0.037 0.000 2.368 152 c CB -0.039 42.452 42.510 -0.032 0.000 2.597 152 c HN 0.479 nan 8.230 nan 0.000 0.678 153 P HA 0.171 nan 4.420 nan 0.000 0.260 153 P C 0.754 177.967 177.300 -0.146 0.000 1.172 153 P CA 2.188 65.234 63.100 -0.091 0.000 0.760 153 P CB -0.037 31.613 31.700 -0.083 0.000 0.773 154 G N 2.597 111.326 108.800 -0.117 0.000 2.284 154 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.230 154 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.230 154 G C 1.358 176.180 174.900 -0.130 0.000 1.021 154 G CA 0.516 45.540 45.100 -0.128 0.000 0.619 154 G HN 0.431 nan 8.290 nan 0.000 0.510 155 T N 1.402 115.861 114.554 -0.158 0.000 2.699 155 T HA -0.147 4.202 4.350 -0.000 0.000 0.268 155 T C 2.465 177.137 174.700 -0.047 0.000 1.036 155 T CA 1.992 64.023 62.100 -0.116 0.000 1.147 155 T CB -0.224 68.590 68.868 -0.089 0.000 0.862 155 T HN 0.245 nan 8.240 nan 0.000 0.446 156 M N 0.828 120.407 119.600 -0.034 0.000 2.156 156 M HA 0.069 4.549 4.480 -0.000 0.000 0.264 156 M C 2.657 178.947 176.300 -0.017 0.000 1.067 156 M CA 1.484 56.775 55.300 -0.016 0.000 1.131 156 M CB -1.463 31.132 32.600 -0.008 0.000 1.368 156 M HN 0.482 nan 8.290 nan 0.000 0.416 157 E N 0.023 120.208 120.200 -0.025 0.000 2.004 157 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 157 E C 1.016 177.605 176.600 -0.018 0.000 0.985 157 E CA 1.635 58.023 56.400 -0.021 0.000 0.832 157 E CB -0.143 29.543 29.700 -0.024 0.000 0.787 157 E HN 0.351 nan 8.360 nan 0.000 0.466 158 E N -1.902 118.282 120.200 -0.026 0.000 2.294 158 E HA 0.059 4.409 4.350 -0.000 0.000 0.189 158 E C -1.240 175.348 176.600 -0.020 0.000 1.115 158 E CA 0.544 56.934 56.400 -0.017 0.000 0.731 158 E CB -0.686 29.012 29.700 -0.004 0.000 0.824 158 E HN 0.124 nan 8.360 nan 0.000 0.444 159 K N 1.360 121.733 120.400 -0.044 0.000 2.987 159 K HA 0.331 4.651 4.320 -0.000 0.000 0.224 159 K C -2.895 173.649 176.600 -0.093 0.000 1.209 159 K CA -0.948 55.312 56.287 -0.045 0.000 0.971 159 K CB 1.273 33.753 32.500 -0.032 0.000 1.252 159 K HN 0.124 nan 8.250 nan 0.000 0.580 160 P HA 0.014 nan 4.420 nan 0.000 0.261 160 P C 0.598 177.784 177.300 -0.190 0.000 1.183 160 P CA 0.234 63.141 63.100 -0.323 0.000 0.761 160 P CB 0.643 32.049 31.700 -0.490 0.000 0.785 161 M N 0.639 120.124 119.600 -0.191 0.000 2.461 161 M HA 0.075 4.555 4.480 -0.000 0.000 0.255 161 M C 0.680 176.943 176.300 -0.062 0.000 1.137 161 M CA 0.370 55.614 55.300 -0.093 0.000 1.086 161 M CB -0.519 32.037 32.600 -0.073 0.000 1.356 161 M HN 0.207 nan 8.290 nan 0.000 0.487 162 c N 2.024 120.557 118.600 -0.112 0.000 2.534 162 c HA 0.328 4.898 4.570 -0.000 0.000 0.385 162 c C 1.200 175.379 174.090 0.149 0.000 1.264 162 c CA -1.086 55.246 56.329 0.005 0.000 2.342 162 c CB 0.671 43.178 42.510 -0.004 0.000 2.564 162 c HN 0.388 nan 8.230 nan 0.000 0.603 163 E N 0.735 121.005 120.200 0.117 0.000 2.410 163 E HA 0.184 4.534 4.350 -0.000 0.000 0.255 163 E C -0.395 176.242 176.600 0.060 0.000 1.194 163 E CA 0.198 56.658 56.400 0.100 0.000 0.955 163 E CB 0.554 30.285 29.700 0.052 0.000 0.988 163 E HN 0.532 nan 8.360 nan 0.000 0.461 164 K N 0.545 120.892 120.400 -0.088 0.000 2.324 164 K HA 0.310 4.629 4.320 -0.000 0.000 0.253 164 K C -0.450 176.012 176.600 -0.230 0.000 0.932 164 K CA -0.423 55.654 56.287 -0.350 0.000 0.799 164 K CB 1.896 33.859 32.500 -0.895 0.000 1.154 164 K HN 0.545 nan 8.250 nan 0.000 0.425 165 T N -2.047 112.376 114.554 -0.219 0.000 2.888 165 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 165 T C -0.275 174.431 174.700 0.010 0.000 1.063 165 T CA -0.837 61.245 62.100 -0.030 0.000 1.010 165 T CB 1.679 70.536 68.868 -0.019 0.000 1.214 165 T HN 0.484 nan 8.240 nan 0.000 0.533 166 T N -0.266 114.365 114.554 0.127 0.000 2.797 166 T HA 0.707 5.056 4.350 -0.000 0.000 0.279 166 T C -0.711 174.022 174.700 0.056 0.000 0.991 166 T CA -0.814 61.361 62.100 0.126 0.000 0.979 166 T CB 0.023 69.003 68.868 0.187 0.000 0.943 166 T HN 0.650 nan 8.240 nan 0.000 0.444 167 I N 3.930 124.519 120.570 0.032 0.000 2.466 167 I HA 0.428 4.598 4.170 -0.000 0.000 0.289 167 I C 0.802 176.934 176.117 0.025 0.000 1.026 167 I CA -0.938 60.378 61.300 0.027 0.000 1.078 167 I CB 1.788 39.798 38.000 0.017 0.000 1.249 167 I HN 0.952 nan 8.210 nan 0.000 0.429 168 N N 5.475 124.192 118.700 0.027 0.000 2.727 168 N HA -0.225 4.514 4.740 -0.000 0.000 0.249 168 N C -0.384 175.137 175.510 0.017 0.000 1.048 168 N CA 0.356 53.418 53.050 0.020 0.000 0.714 168 N CB -0.484 38.012 38.487 0.015 0.000 0.959 168 N HN 0.864 nan 8.380 nan 0.000 0.544 169 N N -0.481 118.232 118.700 0.022 0.000 2.725 169 N HA -0.209 4.530 4.740 -0.000 0.000 0.251 169 N C -0.851 174.675 175.510 0.027 0.000 1.031 169 N CA 1.544 54.607 53.050 0.022 0.000 0.720 169 N CB -0.762 37.732 38.487 0.011 0.000 0.930 169 N HN 0.698 nan 8.380 nan 0.000 0.543 170 E N 0.197 120.420 120.200 0.037 0.000 2.265 170 E HA 0.241 4.590 4.350 -0.000 0.000 0.262 170 E C -1.388 175.256 176.600 0.072 0.000 0.889 170 E CA -0.662 55.760 56.400 0.038 0.000 0.789 170 E CB 1.030 30.734 29.700 0.007 0.000 1.221 170 E HN 0.232 nan 8.360 nan 0.000 0.414 171 Y N 5.011 125.273 120.300 -0.063 0.000 2.518 171 Y HA 0.525 5.075 4.550 -0.000 0.000 0.344 171 Y C -0.980 174.839 175.900 -0.135 0.000 0.982 171 Y CA -0.284 57.763 58.100 -0.088 0.000 1.234 171 Y CB 0.156 38.565 38.460 -0.086 0.000 1.114 171 Y HN 0.462 nan 8.280 nan 0.000 0.515 172 N N 3.203 121.635 118.700 -0.446 0.000 2.853 172 N HA 0.262 5.001 4.740 -0.000 0.000 0.258 172 N C -1.770 173.465 175.510 -0.458 0.000 1.444 172 N CA -0.854 51.908 53.050 -0.480 0.000 0.837 172 N CB 1.060 39.423 38.487 -0.206 0.000 1.489 172 N HN 0.501 nan 8.380 nan 0.000 0.529 173 Y N 0.969 121.134 120.300 -0.224 0.000 2.544 173 Y HA 0.174 4.724 4.550 -0.000 0.000 0.330 173 Y C 0.813 176.628 175.900 -0.141 0.000 1.136 173 Y CA -0.118 57.881 58.100 -0.169 0.000 1.417 173 Y CB 0.558 38.953 38.460 -0.108 0.000 1.229 173 Y HN -0.005 nan 8.280 nan 0.000 0.532 174 R N 3.243 123.762 120.500 0.032 0.000 2.346 174 R HA 0.552 4.892 4.340 -0.000 0.000 0.311 174 R C -0.760 175.501 176.300 -0.065 0.000 0.983 174 R CA -0.823 55.235 56.100 -0.070 0.000 0.880 174 R CB 0.602 30.830 30.300 -0.120 0.000 1.100 174 R HN 0.867 nan 8.270 nan 0.000 0.453 175 c N -0.206 118.325 118.600 -0.114 0.000 3.307 175 c HA 0.517 5.087 4.570 -0.000 0.000 0.333 175 c C 0.111 174.153 174.090 -0.081 0.000 1.291 175 c CA -1.098 55.199 56.329 -0.053 0.000 1.273 175 c CB 0.578 43.120 42.510 0.054 0.000 1.580 175 c HN 0.941 nan 8.230 nan 0.000 0.481 176 W N 1.342 122.658 121.300 0.027 0.000 2.872 176 W HA 0.344 5.003 4.660 -0.000 0.000 0.266 176 W C 1.160 177.636 176.519 -0.073 0.000 1.276 176 W CA 0.815 58.177 57.345 0.029 0.000 1.471 176 W CB 0.267 29.756 29.460 0.048 0.000 1.071 176 W HN 0.905 nan 8.180 nan 0.000 0.619 177 T N -1.982 112.550 114.554 -0.037 0.000 2.731 177 T HA 0.098 4.448 4.350 -0.000 0.000 0.300 177 T C 0.937 175.296 174.700 -0.568 0.000 1.283 177 T CA -0.187 61.562 62.100 -0.584 0.000 1.005 177 T CB 1.285 69.980 68.868 -0.287 0.000 1.420 177 T HN -0.313 nan 8.240 nan 0.000 0.503 178 T N 1.412 115.589 114.554 -0.628 0.000 2.778 178 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 178 T C 1.251 175.883 174.700 -0.114 0.000 1.050 178 T CA 1.286 63.280 62.100 -0.177 0.000 1.137 178 T CB -0.149 68.664 68.868 -0.092 0.000 0.860 178 T HN 0.497 nan 8.240 nan 0.000 0.468 179 N N 0.686 119.297 118.700 -0.149 0.000 2.205 179 N HA 0.165 4.904 4.740 -0.000 0.000 0.201 179 N C 0.063 175.495 175.510 -0.130 0.000 1.128 179 N CA 0.043 53.020 53.050 -0.121 0.000 0.867 179 N CB 0.909 39.322 38.487 -0.123 0.000 0.996 179 N HN 0.368 nan 8.380 nan 0.000 0.503 180 R N 0.136 120.567 120.500 -0.115 0.000 2.538 180 R HA 0.421 4.761 4.340 -0.000 0.000 0.292 180 R C -0.956 175.373 176.300 0.048 0.000 1.008 180 R CA -0.457 55.597 56.100 -0.077 0.000 0.896 180 R CB 1.707 31.906 30.300 -0.169 0.000 1.187 180 R HN -0.033 nan 8.270 nan 0.000 0.440 181 c N 1.699 120.330 118.600 0.053 0.000 2.520 181 c HA 0.218 4.788 4.570 -0.000 0.000 0.376 181 c C 0.565 174.770 174.090 0.191 0.000 1.268 181 c CA -0.421 55.955 56.329 0.079 0.000 2.414 181 c CB 0.986 43.517 42.510 0.035 0.000 2.521 181 c HN 0.705 nan 8.230 nan 0.000 0.618 182 Q N 1.670 121.545 119.800 0.126 0.000 2.288 182 Q HA 0.267 4.607 4.340 -0.000 0.000 0.254 182 Q C -0.621 175.475 176.000 0.160 0.000 0.932 182 Q CA 0.060 55.975 55.803 0.186 0.000 0.902 182 Q CB 0.531 29.199 28.738 -0.116 0.000 1.203 182 Q HN 0.611 nan 8.270 nan 0.000 0.415 183 K N 3.492 124.015 120.400 0.205 0.000 2.174 183 K HA 0.377 4.696 4.320 -0.000 0.000 0.275 183 K C -0.639 176.020 176.600 0.099 0.000 1.015 183 K CA -0.055 56.310 56.287 0.130 0.000 0.933 183 K CB 1.112 33.688 32.500 0.128 0.000 1.025 183 K HN 0.547 nan 8.250 nan 0.000 0.463 184 M N 0.973 120.616 119.600 0.072 0.000 2.727 184 M HA 0.388 4.868 4.480 -0.000 0.000 0.300 184 M C -1.128 175.205 176.300 0.056 0.000 1.246 184 M CA -0.578 54.758 55.300 0.059 0.000 0.835 184 M CB 2.165 34.794 32.600 0.047 0.000 1.755 184 M HN 0.638 nan 8.290 nan 0.000 0.473 185 c N 1.684 120.315 118.600 0.052 0.000 2.562 185 c HA 0.731 5.301 4.570 -0.000 0.000 0.332 185 c C -2.144 171.971 174.090 0.042 0.000 1.201 185 c CA -1.096 55.261 56.329 0.047 0.000 1.803 185 c CB 1.414 43.953 42.510 0.048 0.000 2.328 185 c HN 0.559 nan 8.230 nan 0.000 0.500 186 P HA 0.074 nan 4.420 nan 0.000 0.264 186 P C 0.563 177.883 177.300 0.034 0.000 1.193 186 P CA 0.503 63.624 63.100 0.035 0.000 0.763 186 P CB 0.585 32.304 31.700 0.031 0.000 0.810 187 S N 2.103 117.823 115.700 0.033 0.000 2.392 187 S HA -0.232 4.238 4.470 -0.000 0.000 0.232 187 S C 1.740 176.357 174.600 0.028 0.000 1.041 187 S CA 2.074 60.292 58.200 0.031 0.000 1.026 187 S CB -1.782 61.435 63.200 0.030 0.000 0.845 187 S HN 0.569 nan 8.310 nan 0.000 0.465 188 T N 2.079 116.648 114.554 0.025 0.000 2.624 188 T HA -0.273 4.077 4.350 -0.000 0.000 0.266 188 T C 1.966 176.679 174.700 0.022 0.000 1.050 188 T CA 1.835 63.948 62.100 0.022 0.000 1.163 188 T CB -1.306 67.575 68.868 0.021 0.000 0.861 188 T HN 0.616 nan 8.240 nan 0.000 0.443 189 c N 1.001 119.617 118.600 0.026 0.000 2.410 189 c HA 0.288 4.858 4.570 -0.000 0.000 0.281 189 c C 2.239 176.346 174.090 0.028 0.000 1.318 189 c CA 0.048 56.394 56.329 0.027 0.000 1.776 189 c CB -1.938 40.592 42.510 0.033 0.000 1.942 189 c HN 0.986 nan 8.230 nan 0.000 0.508 190 G N 0.283 109.100 108.800 0.030 0.000 2.514 190 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.265 190 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.265 190 G C 0.429 175.351 174.900 0.037 0.000 1.150 190 G CA 0.371 45.489 45.100 0.030 0.000 0.959 190 G HN 0.426 nan 8.290 nan 0.000 0.556 191 K N 1.190 121.613 120.400 0.038 0.000 2.504 191 K HA 0.213 4.532 4.320 -0.000 0.000 0.199 191 K C 1.132 177.762 176.600 0.050 0.000 1.028 191 K CA 0.110 56.424 56.287 0.045 0.000 1.164 191 K CB 0.192 32.720 32.500 0.046 0.000 0.877 191 K HN 0.322 nan 8.250 nan 0.000 0.508 192 R N 0.032 120.560 120.500 0.047 0.000 2.674 192 R HA 0.433 4.773 4.340 -0.000 0.000 0.266 192 R C -0.116 176.217 176.300 0.056 0.000 1.016 192 R CA -0.478 55.654 56.100 0.053 0.000 1.062 192 R CB 1.171 31.497 30.300 0.043 0.000 1.142 192 R HN 0.055 nan 8.270 nan 0.000 0.517 193 A N 0.450 123.308 122.820 0.065 0.000 2.267 193 A HA 0.545 4.865 4.320 -0.000 0.000 0.271 193 A C -0.163 177.456 177.584 0.058 0.000 1.131 193 A CA -0.340 51.735 52.037 0.063 0.000 0.818 193 A CB 0.228 19.269 19.000 0.068 0.000 1.118 193 A HN 0.935 nan 8.150 nan 0.000 0.501 194 c N -2.497 116.136 118.600 0.055 0.000 3.318 194 c HA 0.830 5.400 4.570 -0.000 0.000 0.322 194 c C 0.325 174.445 174.090 0.049 0.000 1.398 194 c CA -0.075 56.284 56.329 0.050 0.000 1.339 194 c CB 0.704 43.242 42.510 0.046 0.000 1.668 194 c HN 0.995 nan 8.230 nan 0.000 0.462 195 T N 0.750 115.331 114.554 0.045 0.000 2.753 195 T HA 0.209 4.559 4.350 -0.000 0.000 0.309 195 T C 1.000 175.725 174.700 0.042 0.000 1.043 195 T CA -0.036 62.090 62.100 0.042 0.000 0.964 195 T CB 0.304 69.195 68.868 0.038 0.000 1.206 195 T HN 0.854 nan 8.240 nan 0.000 0.528 196 E N 0.624 120.848 120.200 0.039 0.000 2.204 196 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 196 E C 0.882 177.502 176.600 0.034 0.000 0.989 196 E CA 0.911 57.334 56.400 0.039 0.000 0.824 196 E CB -0.299 29.422 29.700 0.036 0.000 0.756 196 E HN 0.480 nan 8.360 nan 0.000 0.477 197 N N 1.246 119.965 118.700 0.031 0.000 2.451 197 N HA 0.044 4.784 4.740 -0.000 0.000 0.264 197 N C -0.803 174.724 175.510 0.029 0.000 1.167 197 N CA -0.161 52.905 53.050 0.027 0.000 0.898 197 N CB 0.128 38.629 38.487 0.023 0.000 1.176 197 N HN 0.029 nan 8.380 nan 0.000 0.507 198 N N 1.622 120.342 118.700 0.033 0.000 2.714 198 N HA -0.199 4.540 4.740 -0.000 0.000 0.252 198 N C -0.689 174.841 175.510 0.033 0.000 1.014 198 N CA 1.109 54.180 53.050 0.034 0.000 0.735 198 N CB -0.838 37.669 38.487 0.032 0.000 0.924 198 N HN 0.614 nan 8.380 nan 0.000 0.540 199 E N -0.118 120.102 120.200 0.034 0.000 2.158 199 E HA 0.324 4.674 4.350 -0.000 0.000 0.271 199 E C -0.029 176.594 176.600 0.038 0.000 0.911 199 E CA -0.659 55.761 56.400 0.033 0.000 0.767 199 E CB 1.043 30.762 29.700 0.032 0.000 1.120 199 E HN 0.274 nan 8.360 nan 0.000 0.405 200 c N 3.053 121.675 118.600 0.035 0.000 2.692 200 c HA 0.045 4.615 4.570 -0.000 0.000 0.409 200 c C 0.720 174.839 174.090 0.049 0.000 1.284 200 c CA -0.800 55.552 56.329 0.039 0.000 1.909 200 c CB -0.847 41.680 42.510 0.029 0.000 2.713 200 c HN 0.733 nan 8.230 nan 0.000 0.649 201 c N 1.811 120.448 118.600 0.062 0.000 2.380 201 c HA 0.384 4.954 4.570 -0.000 0.000 0.393 201 c C 0.807 174.962 174.090 0.109 0.000 1.284 201 c CA -0.475 55.909 56.329 0.091 0.000 2.033 201 c CB 0.211 42.781 42.510 0.101 0.000 2.165 201 c HN 0.896 nan 8.230 nan 0.000 0.540 202 H N 2.311 121.407 119.070 0.044 0.000 2.836 202 H HA 0.060 4.616 4.556 -0.000 0.000 0.368 202 H C -1.511 173.849 175.328 0.053 0.000 1.164 202 H CA -0.481 55.593 56.048 0.044 0.000 1.425 202 H CB 1.006 30.795 29.762 0.046 0.000 1.414 202 H HN 0.348 nan 8.280 nan 0.000 0.614 203 P HA -0.078 nan 4.420 nan 0.000 0.230 203 P C 0.704 178.160 177.300 0.260 0.000 1.158 203 P CA 0.912 64.035 63.100 0.038 0.000 0.769 203 P CB 0.416 32.072 31.700 -0.073 0.000 0.807 204 E N -1.122 119.453 120.200 0.626 0.000 2.447 204 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 204 E C 0.346 177.092 176.600 0.244 0.000 1.028 204 E CA 0.043 56.674 56.400 0.386 0.000 0.876 204 E CB -0.336 29.511 29.700 0.245 0.000 0.885 204 E HN 0.189 nan 8.360 nan 0.000 0.500 205 c N 1.911 120.650 118.600 0.231 0.000 2.585 205 c HA 0.264 4.834 4.570 -0.000 0.000 0.406 205 c C 0.360 174.521 174.090 0.118 0.000 1.312 205 c CA -0.746 55.669 56.329 0.144 0.000 1.924 205 c CB -0.647 41.942 42.510 0.132 0.000 2.578 205 c HN 0.210 nan 8.230 nan 0.000 0.580 206 L N 4.262 125.538 121.223 0.088 0.000 2.329 206 L HA 0.834 5.174 4.340 -0.000 0.000 0.279 206 L C 0.733 177.630 176.870 0.045 0.000 1.014 206 L CA 1.567 56.444 54.840 0.061 0.000 0.814 206 L CB 1.068 43.150 42.059 0.038 0.000 1.257 206 L HN 0.985 nan 8.230 nan 0.000 0.424 207 G N 3.025 111.851 108.800 0.043 0.000 4.677 207 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 207 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 207 G C 0.214 175.139 174.900 0.041 0.000 1.506 207 G CA 0.644 45.764 45.100 0.033 0.000 1.016 207 G HN 1.464 nan 8.290 nan 0.000 0.653 208 S N -1.846 113.879 115.700 0.042 0.000 2.660 208 S HA 0.617 5.087 4.470 -0.000 0.000 0.264 208 S C -0.800 173.828 174.600 0.047 0.000 1.131 208 S CA 0.588 58.815 58.200 0.045 0.000 0.846 208 S CB 0.928 64.149 63.200 0.035 0.000 1.151 208 S HN 2.492 nan 8.310 nan 0.000 0.486 209 c N 0.835 119.463 118.600 0.046 0.000 3.312 209 c HA 0.839 5.409 4.570 -0.000 0.000 0.332 209 c C 1.451 175.566 174.090 0.041 0.000 1.340 209 c CA 0.192 56.550 56.329 0.048 0.000 1.265 209 c CB 0.535 43.082 42.510 0.062 0.000 1.563 209 c HN 1.420 nan 8.230 nan 0.000 0.471 210 S N 0.690 116.413 115.700 0.039 0.000 2.458 210 S HA 0.530 5.000 4.470 -0.000 0.000 0.223 210 S C 0.551 175.171 174.600 0.034 0.000 1.019 210 S CA 0.759 58.978 58.200 0.033 0.000 0.937 210 S CB -0.047 63.170 63.200 0.028 0.000 0.788 210 S HN 2.261 nan 8.310 nan 0.000 0.511 211 A N 1.892 124.736 122.820 0.039 0.000 2.520 211 A HA 0.779 5.099 4.320 -0.000 0.000 0.298 211 A C -3.086 174.528 177.584 0.050 0.000 1.051 211 A CA -1.879 50.181 52.037 0.039 0.000 0.690 211 A CB 1.145 20.166 19.000 0.034 0.000 1.281 211 A HN 0.193 nan 8.150 nan 0.000 0.402 212 P HA 0.394 nan 4.420 nan 0.000 0.275 212 P C 0.532 177.874 177.300 0.069 0.000 1.266 212 P CA 1.208 64.341 63.100 0.055 0.000 0.793 212 P CB 0.146 31.872 31.700 0.043 0.000 1.074 213 D N -2.551 117.897 120.400 0.080 0.000 2.964 213 D HA -0.233 4.407 4.640 -0.000 0.000 0.226 213 D C 0.388 176.775 176.300 0.145 0.000 1.187 213 D CA 1.362 55.421 54.000 0.099 0.000 0.787 213 D CB -2.098 38.736 40.800 0.057 0.000 1.085 213 D HN 0.565 nan 8.370 nan 0.000 0.413 214 N N -0.157 118.623 118.700 0.133 0.000 2.407 214 N HA 0.369 5.109 4.740 -0.000 0.000 0.277 214 N C 0.135 175.678 175.510 0.054 0.000 0.995 214 N CA 0.246 53.354 53.050 0.096 0.000 0.903 214 N CB 1.769 40.289 38.487 0.056 0.000 1.218 214 N HN 0.316 nan 8.380 nan 0.000 0.487 215 D N 1.736 122.095 120.400 -0.069 0.000 2.349 215 D HA -0.083 4.557 4.640 -0.000 0.000 0.224 215 D C 1.223 177.438 176.300 -0.141 0.000 1.029 215 D CA 0.499 54.309 54.000 -0.317 0.000 0.879 215 D CB -0.049 40.271 40.800 -0.800 0.000 0.906 215 D HN 0.545 nan 8.370 nan 0.000 0.528 216 T N -4.657 109.865 114.554 -0.054 0.000 3.044 216 T HA 0.499 4.849 4.350 -0.000 0.000 0.260 216 T C 1.414 176.127 174.700 0.022 0.000 1.019 216 T CA 0.124 62.216 62.100 -0.013 0.000 0.921 216 T CB 0.254 69.112 68.868 -0.017 0.000 1.053 216 T HN 0.105 nan 8.240 nan 0.000 0.533 217 A N 0.559 123.394 122.820 0.025 0.000 2.387 217 A HA 0.496 4.816 4.320 -0.000 0.000 0.234 217 A C 1.105 178.717 177.584 0.047 0.000 1.253 217 A CA -0.533 51.527 52.037 0.038 0.000 0.894 217 A CB -0.959 18.064 19.000 0.038 0.000 0.963 217 A HN 0.672 nan 8.150 nan 0.000 0.508 218 c N -1.555 117.078 118.600 0.055 0.000 2.796 218 c HA 0.155 4.724 4.570 -0.000 0.000 0.394 218 c C 1.982 176.103 174.090 0.051 0.000 1.276 218 c CA 0.023 56.390 56.329 0.064 0.000 2.038 218 c CB 0.469 43.028 42.510 0.083 0.000 2.709 218 c HN 0.397 nan 8.230 nan 0.000 0.709 219 V N 0.789 120.726 119.914 0.038 0.000 3.565 219 V HA 0.327 4.446 4.120 -0.000 0.000 0.260 219 V C 0.885 176.976 176.094 -0.004 0.000 1.231 219 V CA 1.414 63.719 62.300 0.010 0.000 1.100 219 V CB -0.459 31.364 31.823 0.000 0.000 0.807 219 V HN 1.064 nan 8.190 nan 0.000 0.454 220 A N -1.373 121.461 122.820 0.023 0.000 2.581 220 A HA 0.641 4.961 4.320 -0.000 0.000 0.290 220 A C -1.408 176.227 177.584 0.084 0.000 1.119 220 A CA -0.388 51.660 52.037 0.019 0.000 0.670 220 A CB 1.198 20.182 19.000 -0.027 0.000 1.280 220 A HN 0.110 nan 8.150 nan 0.000 0.425 221 c N 0.559 119.232 118.600 0.122 0.000 2.303 221 c HA 0.567 5.137 4.570 -0.000 0.000 0.326 221 c C 1.943 176.080 174.090 0.078 0.000 1.285 221 c CA -0.446 55.970 56.329 0.145 0.000 1.675 221 c CB 0.618 43.270 42.510 0.235 0.000 2.289 221 c HN 1.137 nan 8.230 nan 0.000 0.512 222 R N 0.992 121.543 120.500 0.086 0.000 2.134 222 R HA -0.189 4.151 4.340 -0.000 0.000 0.248 222 R C 0.785 176.937 176.300 -0.245 0.000 1.143 222 R CA 2.225 58.318 56.100 -0.013 0.000 0.957 222 R CB -0.076 30.305 30.300 0.135 0.000 0.867 222 R HN 0.913 nan 8.270 nan 0.000 0.441 223 H N -3.210 115.851 119.070 -0.016 0.000 5.067 223 H HA 0.279 4.835 4.556 -0.000 0.000 0.118 223 H C -0.600 174.543 175.328 -0.309 0.000 1.355 223 H CA 0.024 55.990 56.048 -0.136 0.000 0.741 223 H CB -0.088 29.709 29.762 0.059 0.000 1.615 223 H HN -0.049 nan 8.280 nan 0.000 0.266 224 Y N -0.063 120.389 120.300 0.254 0.000 2.360 224 Y HA 0.226 4.775 4.550 -0.000 0.000 0.337 224 Y C -0.725 175.274 175.900 0.166 0.000 1.039 224 Y CA -0.851 57.340 58.100 0.152 0.000 1.109 224 Y CB 0.986 39.472 38.460 0.044 0.000 1.201 224 Y HN 0.360 nan 8.280 nan 0.000 0.458 225 Y N 3.961 124.386 120.300 0.208 0.000 2.310 225 Y HA 0.444 4.994 4.550 -0.000 0.000 0.326 225 Y C -1.502 174.478 175.900 0.133 0.000 1.151 225 Y CA -1.250 56.942 58.100 0.153 0.000 1.195 225 Y CB 0.655 39.228 38.460 0.190 0.000 1.210 225 Y HN 0.628 nan 8.280 nan 0.000 0.483 226 Y N 4.755 124.422 120.300 -1.054 0.000 2.299 226 Y HA 0.440 4.990 4.550 -0.000 0.000 0.318 226 Y C -0.180 175.288 175.900 -0.721 0.000 1.205 226 Y CA -0.602 57.047 58.100 -0.751 0.000 1.106 226 Y CB 0.849 39.091 38.460 -0.362 0.000 1.246 226 Y HN 1.006 nan 8.280 nan 0.000 0.415 227 A N 3.854 125.927 122.820 -1.245 0.000 2.610 227 A HA 0.028 4.347 4.320 -0.000 0.000 0.299 227 A C 1.529 178.792 177.584 -0.535 0.000 1.487 227 A CA 1.650 53.151 52.037 -0.893 0.000 0.743 227 A CB -2.093 16.210 19.000 -1.163 0.000 1.070 227 A HN 2.539 nan 8.150 nan 0.000 0.439 228 G N -3.244 105.307 108.800 -0.416 0.000 2.168 228 G HA2 0.026 3.986 3.960 -0.000 0.000 0.263 228 G HA3 0.026 3.986 3.960 -0.000 0.000 0.263 228 G C 0.313 175.110 174.900 -0.172 0.000 0.977 228 G CA 0.730 45.777 45.100 -0.089 0.000 0.659 228 G HN 1.978 nan 8.290 nan 0.000 0.533 229 V N 0.313 119.969 119.914 -0.429 0.000 2.577 229 V HA 0.392 4.512 4.120 -0.000 0.000 0.303 229 V C 0.707 176.697 176.094 -0.174 0.000 1.042 229 V CA -0.823 61.343 62.300 -0.224 0.000 0.872 229 V CB 1.868 33.581 31.823 -0.184 0.000 0.998 229 V HN 0.356 nan 8.190 nan 0.000 0.423 230 c N 5.707 124.284 118.600 -0.037 0.000 2.610 230 c HA 0.358 4.927 4.570 -0.000 0.000 0.382 230 c C 0.666 174.766 174.090 0.017 0.000 1.287 230 c CA -0.494 55.865 56.329 0.050 0.000 1.640 230 c CB -1.277 41.284 42.510 0.085 0.000 2.335 230 c HN 0.599 nan 8.230 nan 0.000 0.577 231 V N 7.628 127.580 119.914 0.063 0.000 2.713 231 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 231 V C -1.088 175.051 176.094 0.076 0.000 1.052 231 V CA -1.139 61.187 62.300 0.043 0.000 0.967 231 V CB 1.892 33.736 31.823 0.034 0.000 1.019 231 V HN 0.583 nan 8.190 nan 0.000 0.459 232 P HA 0.236 nan 4.420 nan 0.000 0.239 232 P C -0.043 177.220 177.300 -0.061 0.000 1.188 232 P CA 0.621 63.598 63.100 -0.206 0.000 0.794 232 P CB 0.870 32.438 31.700 -0.221 0.000 0.937 233 A N -1.198 121.621 122.820 -0.001 0.000 2.599 233 A HA 0.495 4.815 4.320 -0.000 0.000 0.290 233 A C -1.056 176.437 177.584 -0.153 0.000 1.101 233 A CA -0.467 51.549 52.037 -0.034 0.000 0.674 233 A CB 0.490 19.448 19.000 -0.071 0.000 1.277 233 A HN 0.015 nan 8.150 nan 0.000 0.419 234 c N 2.459 120.874 118.600 -0.308 0.000 2.601 234 c HA 0.583 5.153 4.570 -0.000 0.000 0.409 234 c C -1.851 172.009 174.090 -0.384 0.000 1.293 234 c CA -0.453 55.623 56.329 -0.422 0.000 2.101 234 c CB 0.010 42.198 42.510 -0.538 0.000 2.639 234 c HN 0.634 nan 8.230 nan 0.000 0.592 235 P HA 0.206 nan 4.420 nan 0.000 0.269 235 P C -2.547 174.523 177.300 -0.383 0.000 1.209 235 P CA -1.105 61.782 63.100 -0.354 0.000 0.776 235 P CB -0.484 31.009 31.700 -0.345 0.000 0.876 236 P HA -0.107 nan 4.420 nan 0.000 0.266 236 P C 0.085 177.199 177.300 -0.309 0.000 1.180 236 P CA 0.719 63.661 63.100 -0.263 0.000 0.765 236 P CB -0.363 31.242 31.700 -0.158 0.000 0.806 237 N N -2.183 116.306 118.700 -0.352 0.000 2.732 237 N HA -0.185 4.555 4.740 -0.000 0.000 0.250 237 N C -0.329 174.900 175.510 -0.468 0.000 1.097 237 N CA 1.135 53.987 53.050 -0.330 0.000 0.812 237 N CB -1.530 36.880 38.487 -0.129 0.000 1.148 237 N HN 0.655 nan 8.380 nan 0.000 0.572 238 T N -2.787 111.325 114.554 -0.737 0.000 2.893 238 T HA 0.681 5.031 4.350 -0.000 0.000 0.291 238 T C -0.931 173.219 174.700 -0.916 0.000 1.028 238 T CA -0.648 61.051 62.100 -0.668 0.000 0.995 238 T CB 1.935 70.354 68.868 -0.749 0.000 1.051 238 T HN 0.147 nan 8.240 nan 0.000 0.470 239 Y N -0.051 120.084 120.300 -0.275 0.000 2.512 239 Y HA 0.555 5.105 4.550 -0.000 0.000 0.348 239 Y C 0.629 176.392 175.900 -0.228 0.000 0.990 239 Y CA -1.465 56.501 58.100 -0.224 0.000 1.033 239 Y CB 1.905 40.284 38.460 -0.134 0.000 1.259 239 Y HN 0.597 nan 8.280 nan 0.000 0.461 240 R N 1.761 122.197 120.500 -0.106 0.000 2.537 240 R HA 0.295 4.635 4.340 -0.000 0.000 0.280 240 R C -1.434 174.930 176.300 0.106 0.000 1.058 240 R CA 0.085 56.088 56.100 -0.161 0.000 1.057 240 R CB 0.362 30.496 30.300 -0.276 0.000 0.973 240 R HN 0.520 nan 8.270 nan 0.000 0.438 241 F N 1.905 121.778 119.950 -0.128 0.000 2.557 241 F HA 0.176 4.702 4.527 -0.000 0.000 0.316 241 F C -0.370 175.291 175.800 -0.231 0.000 1.141 241 F CA -1.006 56.930 58.000 -0.107 0.000 0.922 241 F CB 1.184 40.102 39.000 -0.136 0.000 1.194 241 F HN 0.652 nan 8.300 nan 0.000 0.443 242 E N 3.579 123.269 120.200 -0.850 0.000 2.791 242 E HA -0.210 4.140 4.350 -0.000 0.000 0.271 242 E C 1.170 176.839 176.600 -1.552 0.000 1.044 242 E CA 1.293 56.944 56.400 -1.247 0.000 0.814 242 E CB -1.585 27.588 29.700 -0.878 0.000 1.400 242 E HN 1.412 nan 8.360 nan 0.000 0.423 243 G N -0.611 107.458 108.800 -1.218 0.000 2.186 243 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.266 243 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.266 243 G C 0.437 175.173 174.900 -0.272 0.000 0.982 243 G CA 1.148 45.748 45.100 -0.835 0.000 0.670 243 G HN 0.664 nan 8.290 nan 0.000 0.533 244 W N -0.521 120.609 121.300 -0.283 0.000 1.807 244 W HA 0.406 5.066 4.660 -0.000 0.000 0.251 244 W C 0.132 176.733 176.519 0.136 0.000 0.848 244 W CA 0.334 57.561 57.345 -0.197 0.000 1.157 244 W CB 0.043 29.364 29.460 -0.231 0.000 0.992 244 W HN 0.723 nan 8.180 nan 0.000 0.506 245 R N 0.770 121.143 120.500 -0.213 0.000 2.663 245 R HA 0.593 4.933 4.340 -0.000 0.000 0.267 245 R C -1.917 174.270 176.300 -0.189 0.000 1.038 245 R CA -0.362 55.523 56.100 -0.359 0.000 0.886 245 R CB 0.854 30.480 30.300 -1.123 0.000 1.249 245 R HN -0.050 nan 8.270 nan 0.000 0.463 246 c N 2.156 120.661 118.600 -0.159 0.000 2.355 246 c HA 0.782 5.352 4.570 -0.000 0.000 0.332 246 c C 0.087 174.027 174.090 -0.250 0.000 1.255 246 c CA -0.569 55.595 56.329 -0.274 0.000 1.792 246 c CB 0.738 42.935 42.510 -0.521 0.000 2.300 246 c HN 0.604 nan 8.230 nan 0.000 0.515 247 V N 0.973 120.724 119.914 -0.272 0.000 2.709 247 V HA 0.727 4.846 4.120 -0.000 0.000 0.308 247 V C -0.772 175.268 176.094 -0.091 0.000 1.062 247 V CA -0.571 61.523 62.300 -0.343 0.000 0.901 247 V CB 1.863 33.218 31.823 -0.780 0.000 1.003 247 V HN 0.875 nan 8.190 nan 0.000 0.425 248 D N 3.281 123.666 120.400 -0.025 0.000 2.354 248 D HA 0.244 4.884 4.640 -0.000 0.000 0.247 248 D C 1.080 177.475 176.300 0.158 0.000 1.138 248 D CA -0.631 53.427 54.000 0.096 0.000 0.958 248 D CB 1.065 41.905 40.800 0.066 0.000 1.144 248 D HN 0.693 nan 8.370 nan 0.000 0.458 249 R N 0.236 120.834 120.500 0.163 0.000 2.154 249 R HA -0.236 4.104 4.340 -0.000 0.000 0.248 249 R C 0.592 176.903 176.300 0.018 0.000 1.155 249 R CA 1.998 58.126 56.100 0.046 0.000 0.979 249 R CB -0.133 30.183 30.300 0.027 0.000 0.869 249 R HN 0.549 nan 8.270 nan 0.000 0.452 250 D N -1.145 119.281 120.400 0.042 0.000 2.213 250 D HA -0.065 4.574 4.640 -0.000 0.000 0.205 250 D C 1.342 177.630 176.300 -0.020 0.000 0.961 250 D CA 0.713 54.714 54.000 0.001 0.000 0.853 250 D CB -0.028 40.772 40.800 0.001 0.000 0.967 250 D HN 0.183 nan 8.370 nan 0.000 0.496 251 F N 0.804 120.686 119.950 -0.113 0.000 2.065 251 F HA -0.329 4.198 4.527 -0.000 0.000 0.298 251 F C 2.264 177.903 175.800 -0.268 0.000 1.112 251 F CA 1.349 59.243 58.000 -0.175 0.000 1.212 251 F CB -0.488 38.403 39.000 -0.182 0.000 0.975 251 F HN 0.093 nan 8.300 nan 0.000 0.476 252 c N 0.725 119.350 118.600 0.041 0.000 2.429 252 c HA -0.051 4.518 4.570 -0.000 0.000 0.277 252 c C 2.995 176.933 174.090 -0.253 0.000 1.262 252 c CA 1.368 57.615 56.329 -0.138 0.000 1.733 252 c CB -1.894 40.588 42.510 -0.047 0.000 2.010 252 c HN 0.606 nan 8.230 nan 0.000 0.483 253 A N -0.257 122.465 122.820 -0.163 0.000 2.209 253 A HA 0.043 4.363 4.320 -0.000 0.000 0.212 253 A C 1.487 178.955 177.584 -0.194 0.000 1.158 253 A CA 1.098 53.055 52.037 -0.133 0.000 0.742 253 A CB -0.403 18.552 19.000 -0.076 0.000 0.790 253 A HN 0.787 nan 8.150 nan 0.000 0.472 254 N N -0.725 117.789 118.700 -0.310 0.000 2.351 254 N HA 0.273 5.012 4.740 -0.000 0.000 0.254 254 N C 0.656 175.903 175.510 -0.438 0.000 1.241 254 N CA 0.004 52.868 53.050 -0.309 0.000 0.883 254 N CB 0.536 38.875 38.487 -0.247 0.000 1.202 254 N HN 0.413 nan 8.380 nan 0.000 0.512 255 I N 0.243 120.464 120.570 -0.582 0.000 2.333 255 I HA -0.093 4.077 4.170 -0.000 0.000 0.246 255 I C 1.533 177.404 176.117 -0.410 0.000 1.106 255 I CA 1.039 61.926 61.300 -0.687 0.000 1.411 255 I CB 0.292 37.652 38.000 -1.066 0.000 1.082 255 I HN 0.071 nan 8.210 nan 0.000 0.420 256 L N 0.184 121.233 121.223 -0.290 0.000 2.612 256 L HA 0.010 4.349 4.340 -0.000 0.000 0.230 256 L C 2.423 179.232 176.870 -0.102 0.000 1.140 256 L CA 0.257 55.024 54.840 -0.121 0.000 0.896 256 L CB -0.445 41.608 42.059 -0.010 0.000 1.065 256 L HN 0.263 nan 8.230 nan 0.000 0.447 257 S N 1.026 116.641 115.700 -0.142 0.000 2.407 257 S HA -0.264 4.205 4.470 -0.000 0.000 0.235 257 S C 1.926 176.477 174.600 -0.081 0.000 1.036 257 S CA 1.277 59.410 58.200 -0.112 0.000 1.013 257 S CB -0.179 62.939 63.200 -0.136 0.000 0.820 257 S HN 0.425 nan 8.310 nan 0.000 0.476 258 A N 0.440 123.211 122.820 -0.082 0.000 2.259 258 A HA 0.361 4.681 4.320 -0.000 0.000 0.208 258 A C 0.483 178.046 177.584 -0.035 0.000 1.201 258 A CA -0.082 51.922 52.037 -0.054 0.000 0.824 258 A CB -0.150 18.819 19.000 -0.051 0.000 0.838 258 A HN 0.732 nan 8.150 nan 0.000 0.485 259 E N -1.037 119.144 120.200 -0.031 0.000 2.343 259 E HA 0.383 4.733 4.350 -0.000 0.000 0.270 259 E C -0.336 176.259 176.600 -0.008 0.000 0.895 259 E CA -0.363 56.029 56.400 -0.013 0.000 0.767 259 E CB 1.596 31.295 29.700 -0.002 0.000 1.248 259 E HN 0.129 nan 8.360 nan 0.000 0.440 260 S N 0.876 116.576 115.700 -0.000 0.000 3.266 260 S HA 0.222 4.691 4.470 -0.000 0.000 0.209 260 S C -0.402 174.204 174.600 0.010 0.000 1.409 260 S CA -0.607 57.594 58.200 0.002 0.000 1.179 260 S CB -0.198 63.003 63.200 0.001 0.000 1.218 260 S HN 0.280 nan 8.310 nan 0.000 0.514 261 S N 1.875 117.584 115.700 0.016 0.000 2.499 261 S HA 0.166 4.636 4.470 -0.000 0.000 0.275 261 S C 0.770 175.382 174.600 0.021 0.000 1.257 261 S CA -0.489 57.726 58.200 0.025 0.000 1.050 261 S CB 1.053 64.278 63.200 0.042 0.000 0.937 261 S HN 0.707 nan 8.310 nan 0.000 0.490 262 D N 2.605 123.016 120.400 0.018 0.000 2.363 262 D HA 0.010 4.650 4.640 -0.000 0.000 0.226 262 D C 0.222 176.532 176.300 0.017 0.000 1.020 262 D CA 0.250 54.259 54.000 0.015 0.000 0.892 262 D CB 0.182 40.988 40.800 0.011 0.000 0.900 262 D HN 0.438 nan 8.370 nan 0.000 0.531 263 S N 0.537 116.251 115.700 0.024 0.000 2.614 263 S HA 0.141 4.611 4.470 -0.000 0.000 0.265 263 S C 0.237 174.854 174.600 0.027 0.000 1.303 263 S CA -0.750 57.465 58.200 0.024 0.000 1.000 263 S CB 1.131 64.348 63.200 0.029 0.000 0.935 263 S HN 0.092 nan 8.310 nan 0.000 0.551 264 E N 0.868 121.080 120.200 0.019 0.000 2.392 264 E HA 0.267 4.617 4.350 -0.000 0.000 0.264 264 E C 0.599 177.220 176.600 0.034 0.000 1.024 264 E CA -0.055 56.358 56.400 0.022 0.000 0.903 264 E CB 0.577 30.283 29.700 0.010 0.000 0.963 264 E HN 0.696 nan 8.360 nan 0.000 0.432 265 G N 1.546 110.382 108.800 0.060 0.000 2.537 265 G HA2 0.337 4.296 3.960 -0.000 0.000 0.297 265 G HA3 0.337 4.296 3.960 -0.000 0.000 0.297 265 G C -0.449 174.534 174.900 0.138 0.000 1.310 265 G CA -0.720 44.461 45.100 0.134 0.000 1.027 265 G HN 0.291 nan 8.290 nan 0.000 0.505 266 F N -0.659 119.279 119.950 -0.020 0.000 2.647 266 F HA 0.239 4.766 4.527 -0.000 0.000 0.363 266 F C 1.185 176.954 175.800 -0.051 0.000 1.130 266 F CA 0.244 58.231 58.000 -0.021 0.000 1.351 266 F CB 0.416 39.398 39.000 -0.031 0.000 1.026 266 F HN 0.270 nan 8.300 nan 0.000 0.607 267 V N 1.834 121.779 119.914 0.052 0.000 3.074 267 V HA 0.705 4.824 4.120 -0.000 0.000 0.314 267 V C -0.670 175.375 176.094 -0.081 0.000 1.117 267 V CA -1.080 61.196 62.300 -0.040 0.000 1.014 267 V CB 2.345 34.128 31.823 -0.066 0.000 1.057 267 V HN 0.550 nan 8.190 nan 0.000 0.438 268 I N 2.395 122.831 120.570 -0.223 0.000 2.420 268 I HA 0.533 4.702 4.170 -0.000 0.000 0.282 268 I C -1.051 174.928 176.117 -0.230 0.000 1.019 268 I CA -0.200 60.911 61.300 -0.316 0.000 1.130 268 I CB 1.116 38.718 38.000 -0.662 0.000 1.262 268 I HN 0.924 nan 8.210 nan 0.000 0.454 269 H N 5.179 124.121 119.070 -0.214 0.000 2.600 269 H HA 0.300 4.856 4.556 -0.000 0.000 0.357 269 H C -0.436 174.819 175.328 -0.123 0.000 1.106 269 H CA -0.286 55.643 56.048 -0.199 0.000 1.193 269 H CB 1.280 30.894 29.762 -0.247 0.000 1.594 269 H HN 0.486 nan 8.280 nan 0.000 0.526 270 D N 3.589 123.625 120.400 -0.606 0.000 2.737 270 D HA -0.165 4.475 4.640 -0.000 0.000 0.233 270 D C 0.949 177.196 176.300 -0.088 0.000 1.155 270 D CA 2.029 55.837 54.000 -0.321 0.000 0.667 270 D CB -1.298 39.352 40.800 -0.251 0.000 1.060 270 D HN 1.102 nan 8.370 nan 0.000 0.427 271 G N -0.152 108.647 108.800 -0.002 0.000 2.176 271 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 271 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 271 G C 0.012 175.009 174.900 0.162 0.000 1.024 271 G CA 0.562 45.759 45.100 0.161 0.000 0.755 271 G HN 0.664 nan 8.290 nan 0.000 0.507 272 E N -0.885 119.371 120.200 0.093 0.000 2.292 272 E HA 0.460 4.810 4.350 -0.000 0.000 0.272 272 E C -0.183 176.472 176.600 0.092 0.000 0.881 272 E CA -0.795 55.680 56.400 0.126 0.000 0.754 272 E CB 1.577 31.363 29.700 0.143 0.000 1.201 272 E HN 0.459 nan 8.360 nan 0.000 0.425 273 c N 7.599 126.305 118.600 0.176 0.000 2.373 273 c HA 0.645 5.215 4.570 -0.000 0.000 0.354 273 c C -0.045 174.293 174.090 0.414 0.000 1.249 273 c CA -0.307 56.148 56.329 0.210 0.000 1.784 273 c CB -1.510 41.115 42.510 0.192 0.000 2.408 273 c HN 0.663 nan 8.230 nan 0.000 0.542 274 M N 4.893 124.666 119.600 0.289 0.000 2.531 274 M HA 0.339 4.819 4.480 -0.000 0.000 0.286 274 M C 0.329 176.527 176.300 -0.170 0.000 1.232 274 M CA -0.583 54.846 55.300 0.215 0.000 0.877 274 M CB 1.677 34.368 32.600 0.151 0.000 1.726 274 M HN 0.695 nan 8.290 nan 0.000 0.463 275 Q N 1.077 120.461 119.800 -0.695 0.000 2.297 275 Q HA -0.075 4.265 4.340 -0.000 0.000 0.208 275 Q C -0.369 175.288 176.000 -0.572 0.000 0.981 275 Q CA 1.845 56.840 55.803 -1.348 0.000 0.876 275 Q CB 0.393 28.557 28.738 -0.956 0.000 0.921 275 Q HN 0.718 nan 8.270 nan 0.000 0.446 276 E N -1.096 118.936 120.200 -0.280 0.000 2.383 276 E HA 0.311 4.661 4.350 -0.000 0.000 0.275 276 E C -1.598 174.943 176.600 -0.099 0.000 0.918 276 E CA -0.916 55.390 56.400 -0.156 0.000 0.764 276 E CB 1.529 31.162 29.700 -0.112 0.000 1.252 276 E HN 0.276 nan 8.360 nan 0.000 0.449 277 c N 3.741 122.291 118.600 -0.083 0.000 2.700 277 c HA 0.358 4.928 4.570 -0.000 0.000 0.397 277 c C -1.869 172.189 174.090 -0.053 0.000 1.301 277 c CA -0.763 55.501 56.329 -0.108 0.000 2.219 277 c CB -0.588 41.882 42.510 -0.068 0.000 2.699 277 c HN 0.607 nan 8.230 nan 0.000 0.669 278 P HA 0.087 nan 4.420 nan 0.000 0.269 278 P C 0.660 178.060 177.300 0.167 0.000 1.215 278 P CA 0.329 63.471 63.100 0.070 0.000 0.780 278 P CB 0.353 32.104 31.700 0.084 0.000 0.898 279 S N 1.843 117.606 115.700 0.106 0.000 2.408 279 S HA -0.214 4.255 4.470 -0.000 0.000 0.241 279 S C 1.677 176.283 174.600 0.010 0.000 1.080 279 S CA 2.235 60.466 58.200 0.052 0.000 1.109 279 S CB -1.070 62.144 63.200 0.024 0.000 0.966 279 S HN 0.810 nan 8.310 nan 0.000 0.449 280 G N -0.717 108.048 108.800 -0.058 0.000 3.707 280 G HA2 0.472 4.432 3.960 -0.000 0.000 0.286 280 G HA3 0.472 4.432 3.960 -0.000 0.000 0.286 280 G C -0.179 174.468 174.900 -0.421 0.000 1.112 280 G CA -0.398 44.559 45.100 -0.239 0.000 0.861 280 G HN 0.299 nan 8.290 nan 0.000 0.534 281 F N -0.454 119.447 119.950 -0.081 0.000 2.523 281 F HA 0.682 5.209 4.527 -0.000 0.000 0.329 281 F C 0.030 175.782 175.800 -0.079 0.000 1.061 281 F CA -1.278 56.663 58.000 -0.098 0.000 0.967 281 F CB 2.191 41.064 39.000 -0.212 0.000 1.218 281 F HN -0.129 nan 8.300 nan 0.000 0.480 282 I N 1.100 121.763 120.570 0.155 0.000 2.647 282 I HA 0.428 4.598 4.170 -0.000 0.000 0.295 282 I C -0.566 175.602 176.117 0.086 0.000 1.078 282 I CA -0.914 60.433 61.300 0.079 0.000 1.048 282 I CB 1.628 39.653 38.000 0.042 0.000 1.239 282 I HN 0.539 nan 8.210 nan 0.000 0.421 283 R N 4.293 124.827 120.500 0.057 0.000 2.538 283 R HA -0.016 4.323 4.340 -0.000 0.000 0.282 283 R C 1.035 177.378 176.300 0.073 0.000 1.009 283 R CA 0.107 56.245 56.100 0.064 0.000 1.063 283 R CB 0.253 30.580 30.300 0.044 0.000 0.945 283 R HN 0.665 nan 8.270 nan 0.000 0.414 284 N N 1.687 120.445 118.700 0.096 0.000 2.512 284 N HA -0.048 4.692 4.740 -0.000 0.000 0.183 284 N C 0.364 175.903 175.510 0.048 0.000 1.073 284 N CA 0.791 53.884 53.050 0.072 0.000 0.911 284 N CB 0.457 38.984 38.487 0.067 0.000 0.964 284 N HN 0.539 nan 8.380 nan 0.000 0.447 285 G N -1.128 107.703 108.800 0.052 0.000 2.694 285 G HA2 0.413 4.373 3.960 -0.000 0.000 0.290 285 G HA3 0.413 4.373 3.960 -0.000 0.000 0.290 285 G C -1.583 173.340 174.900 0.039 0.000 1.386 285 G CA -0.671 44.452 45.100 0.037 0.000 0.872 285 G HN 0.125 nan 8.290 nan 0.000 0.475 286 S N 0.233 115.949 115.700 0.027 0.000 2.525 286 S HA 0.213 4.683 4.470 -0.000 0.000 0.285 286 S C 0.804 175.422 174.600 0.030 0.000 1.283 286 S CA 0.649 58.864 58.200 0.025 0.000 1.072 286 S CB 0.142 63.352 63.200 0.017 0.000 0.867 286 S HN 0.641 nan 8.310 nan 0.000 0.492 287 Q N 0.832 120.651 119.800 0.032 0.000 2.489 287 Q HA -0.166 4.173 4.340 -0.000 0.000 0.259 287 Q C 0.063 176.092 176.000 0.047 0.000 0.934 287 Q CA 1.104 56.929 55.803 0.035 0.000 1.131 287 Q CB -2.283 26.472 28.738 0.028 0.000 1.472 287 Q HN 0.737 nan 8.270 nan 0.000 0.560 288 S N -0.480 115.258 115.700 0.063 0.000 2.565 288 S HA 0.361 4.831 4.470 -0.000 0.000 0.276 288 S C 1.327 175.983 174.600 0.092 0.000 1.326 288 S CA -0.312 57.951 58.200 0.106 0.000 1.045 288 S CB 0.512 63.792 63.200 0.134 0.000 0.918 288 S HN 0.330 nan 8.310 nan 0.000 0.505 289 M N 3.413 123.062 119.600 0.082 0.000 2.618 289 M HA 0.103 4.582 4.480 -0.000 0.000 0.240 289 M C -0.899 175.272 176.300 -0.215 0.000 1.123 289 M CA 0.418 55.670 55.300 -0.080 0.000 1.060 289 M CB -0.065 32.424 32.600 -0.184 0.000 1.535 289 M HN 0.619 nan 8.290 nan 0.000 0.507 290 Y N -0.701 119.598 120.300 -0.002 0.000 2.328 290 Y HA 0.230 4.780 4.550 -0.000 0.000 0.337 290 Y C 0.012 175.927 175.900 0.026 0.000 1.008 290 Y CA -1.013 57.096 58.100 0.015 0.000 1.129 290 Y CB 0.955 39.426 38.460 0.019 0.000 1.185 290 Y HN -0.026 nan 8.280 nan 0.000 0.476 291 c N 6.006 124.698 118.600 0.153 0.000 2.319 291 c HA 0.712 5.282 4.570 -0.000 0.000 0.335 291 c C 0.087 174.274 174.090 0.161 0.000 1.274 291 c CA -1.045 55.312 56.329 0.048 0.000 1.806 291 c CB -1.271 41.039 42.510 -0.334 0.000 2.329 291 c HN 0.725 nan 8.230 nan 0.000 0.524 292 I N 0.919 121.646 120.570 0.261 0.000 2.569 292 I HA 0.570 4.740 4.170 -0.000 0.000 0.296 292 I C -2.928 173.440 176.117 0.419 0.000 1.028 292 I CA -2.727 58.794 61.300 0.368 0.000 1.082 292 I CB 1.316 39.434 38.000 0.197 0.000 1.264 292 I HN 0.267 nan 8.210 nan 0.000 0.429 293 P HA 0.038 nan 4.420 nan 0.000 0.264 293 P C 0.221 177.446 177.300 -0.125 0.000 1.183 293 P CA 0.025 62.996 63.100 -0.214 0.000 0.763 293 P CB 0.558 32.189 31.700 -0.115 0.000 0.807 294 c N 2.386 120.861 118.600 -0.209 0.000 2.466 294 c HA 0.024 4.594 4.570 -0.000 0.000 0.278 294 c C 1.548 175.589 174.090 -0.081 0.000 1.288 294 c CA 1.584 57.849 56.329 -0.107 0.000 1.722 294 c CB -1.627 40.813 42.510 -0.116 0.000 2.017 294 c HN 0.794 nan 8.230 nan 0.000 0.488 295 E N -0.671 119.468 120.200 -0.102 0.000 2.267 295 E HA 0.279 4.629 4.350 -0.000 0.000 0.229 295 E C 0.600 177.169 176.600 -0.051 0.000 1.193 295 E CA 0.861 57.223 56.400 -0.064 0.000 0.695 295 E CB -1.934 27.743 29.700 -0.038 0.000 1.219 295 E HN 2.139 nan 8.360 nan 0.000 0.391 296 G N -1.353 107.411 108.800 -0.061 0.000 2.347 296 G HA2 0.459 4.419 3.960 -0.000 0.000 0.341 296 G HA3 0.459 4.419 3.960 -0.000 0.000 0.341 296 G C -2.664 172.204 174.900 -0.053 0.000 1.287 296 G CA -0.101 44.971 45.100 -0.045 0.000 0.984 296 G HN 0.938 nan 8.290 nan 0.000 0.526 297 P HA 0.408 nan 4.420 nan 0.000 0.265 297 P C 0.413 177.693 177.300 -0.034 0.000 1.193 297 P CA -0.305 62.773 63.100 -0.037 0.000 0.765 297 P CB 0.483 32.170 31.700 -0.023 0.000 0.823 298 c N 5.597 124.175 118.600 -0.037 0.000 2.676 298 c HA 0.177 4.747 4.570 -0.000 0.000 0.416 298 c C -1.464 172.619 174.090 -0.012 0.000 1.299 298 c CA -0.624 55.688 56.329 -0.029 0.000 2.048 298 c CB -0.735 41.757 42.510 -0.031 0.000 2.713 298 c HN 0.573 nan 8.230 nan 0.000 0.624 299 P HA 0.166 nan 4.420 nan 0.000 0.268 299 P C -0.970 176.335 177.300 0.007 0.000 1.205 299 P CA 0.246 63.348 63.100 0.003 0.000 0.771 299 P CB 0.471 32.172 31.700 0.003 0.000 0.858 300 K N 1.946 122.355 120.400 0.015 0.000 2.589 300 K HA 0.320 4.640 4.320 -0.000 0.000 0.253 300 K C -1.721 174.897 176.600 0.031 0.000 0.974 300 K CA -0.670 55.630 56.287 0.021 0.000 0.835 300 K CB 1.843 34.358 32.500 0.026 0.000 1.272 300 K HN 0.144 nan 8.250 nan 0.000 0.444 301 V N 4.264 124.189 119.914 0.018 0.000 2.370 301 V HA 0.351 4.471 4.120 -0.000 0.000 0.279 301 V C -0.182 175.917 176.094 0.008 0.000 1.029 301 V CA -0.650 61.653 62.300 0.006 0.000 0.870 301 V CB 1.052 32.864 31.823 -0.019 0.000 0.984 301 V HN 0.793 nan 8.190 nan 0.000 0.451 302 c N 4.912 123.529 118.600 0.028 0.000 2.355 302 c HA 0.836 5.406 4.570 -0.000 0.000 0.332 302 c C -0.194 173.815 174.090 -0.136 0.000 1.255 302 c CA -0.686 55.677 56.329 0.056 0.000 1.792 302 c CB 0.574 43.220 42.510 0.227 0.000 2.300 302 c HN 1.025 nan 8.230 nan 0.000 0.515 303 E N 1.237 121.366 120.200 -0.118 0.000 2.287 303 E HA 0.486 4.835 4.350 -0.000 0.000 0.274 303 E C -1.181 175.374 176.600 -0.075 0.000 0.896 303 E CA -0.470 55.796 56.400 -0.223 0.000 0.788 303 E CB 0.699 30.294 29.700 -0.174 0.000 1.244 303 E HN 0.679 nan 8.360 nan 0.000 0.408 304 E N 2.404 122.578 120.200 -0.044 0.000 2.243 304 E HA 0.194 4.544 4.350 -0.000 0.000 0.260 304 E C 0.356 176.964 176.600 0.013 0.000 0.985 304 E CA -0.907 55.517 56.400 0.040 0.000 0.858 304 E CB 1.596 31.374 29.700 0.130 0.000 1.210 304 E HN 0.729 nan 8.360 nan 0.000 0.411 305 E N 1.375 121.589 120.200 0.024 0.000 2.048 305 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 305 E C 0.113 176.721 176.600 0.014 0.000 1.021 305 E CA 1.459 57.868 56.400 0.015 0.000 0.825 305 E CB 0.179 29.891 29.700 0.020 0.000 0.756 305 E HN 0.246 nan 8.360 nan 0.000 0.454 306 K N 0.270 120.687 120.400 0.028 0.000 2.202 306 K HA 0.066 4.386 4.320 -0.000 0.000 0.264 306 K C 1.144 177.763 176.600 0.032 0.000 1.010 306 K CA -0.288 56.016 56.287 0.030 0.000 0.940 306 K CB 0.892 33.415 32.500 0.037 0.000 0.983 306 K HN -0.016 nan 8.250 nan 0.000 0.475 307 K N 0.285 120.698 120.400 0.022 0.000 2.025 307 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 307 K C 0.242 176.870 176.600 0.047 0.000 1.049 307 K CA 1.173 57.466 56.287 0.010 0.000 0.933 307 K CB 0.105 32.611 32.500 0.009 0.000 0.714 307 K HN 0.529 nan 8.250 nan 0.000 0.438 308 T N 2.378 116.962 114.554 0.049 0.000 2.733 308 T HA 0.143 4.493 4.350 -0.000 0.000 0.294 308 T C -0.359 174.382 174.700 0.068 0.000 0.956 308 T CA -0.466 61.657 62.100 0.038 0.000 0.987 308 T CB 1.318 70.196 68.868 0.016 0.000 0.920 308 T HN -0.057 nan 8.240 nan 0.000 0.470 309 K N 3.022 123.478 120.400 0.093 0.000 2.285 309 K HA 0.299 4.619 4.320 -0.000 0.000 0.286 309 K C 0.116 176.683 176.600 -0.055 0.000 1.072 309 K CA -0.340 55.957 56.287 0.016 0.000 0.913 309 K CB 0.602 33.044 32.500 -0.096 0.000 1.067 309 K HN 0.525 nan 8.250 nan 0.000 0.479 310 T N 5.364 119.898 114.554 -0.033 0.000 2.781 310 T HA 0.371 4.721 4.350 -0.000 0.000 0.305 310 T C -0.117 174.551 174.700 -0.053 0.000 1.001 310 T CA -0.740 61.337 62.100 -0.038 0.000 0.950 310 T CB -0.271 68.587 68.868 -0.017 0.000 0.955 310 T HN 0.582 nan 8.240 nan 0.000 0.471 311 I N 5.814 126.344 120.570 -0.067 0.000 2.278 311 I HA 0.222 4.392 4.170 -0.000 0.000 0.296 311 I C 0.312 176.389 176.117 -0.067 0.000 1.121 311 I CA -0.430 60.823 61.300 -0.079 0.000 1.267 311 I CB 0.627 38.580 38.000 -0.078 0.000 1.447 311 I HN 0.723 nan 8.210 nan 0.000 0.509 312 D N 3.200 123.559 120.400 -0.068 0.000 2.501 312 D HA 0.149 4.789 4.640 -0.000 0.000 0.226 312 D C 0.214 176.470 176.300 -0.074 0.000 1.198 312 D CA -0.257 53.709 54.000 -0.056 0.000 0.830 312 D CB 0.438 41.217 40.800 -0.035 0.000 1.014 312 D HN 0.398 nan 8.370 nan 0.000 0.496 313 S N -2.156 113.480 115.700 -0.107 0.000 2.654 313 S HA 0.201 4.670 4.470 -0.000 0.000 0.267 313 S C -0.250 174.237 174.600 -0.187 0.000 1.151 313 S CA -0.284 57.839 58.200 -0.129 0.000 0.873 313 S CB 0.570 63.703 63.200 -0.111 0.000 1.181 313 S HN -0.163 nan 8.310 nan 0.000 0.489 314 V N 1.377 121.162 119.914 -0.216 0.000 3.125 314 V HA 0.069 4.189 4.120 -0.000 0.000 0.249 314 V C 2.507 178.321 176.094 -0.467 0.000 1.113 314 V CA 1.949 64.053 62.300 -0.327 0.000 1.106 314 V CB -0.514 31.157 31.823 -0.253 0.000 0.768 314 V HN 1.000 nan 8.190 nan 0.000 0.468 315 T N 0.172 114.543 114.554 -0.304 0.000 2.821 315 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 315 T C 2.049 176.603 174.700 -0.245 0.000 1.046 315 T CA 1.611 63.553 62.100 -0.264 0.000 1.139 315 T CB -0.389 68.395 68.868 -0.141 0.000 0.871 315 T HN 0.639 nan 8.240 nan 0.000 0.454 316 S N 2.063 117.644 115.700 -0.198 0.000 2.442 316 S HA 0.115 4.585 4.470 -0.000 0.000 0.236 316 S C 2.087 176.587 174.600 -0.166 0.000 1.007 316 S CA 0.617 58.730 58.200 -0.145 0.000 0.965 316 S CB -0.485 62.647 63.200 -0.113 0.000 0.773 316 S HN 0.534 nan 8.310 nan 0.000 0.504 317 A N 0.476 123.138 122.820 -0.263 0.000 2.307 317 A HA 0.299 4.619 4.320 -0.000 0.000 0.218 317 A C 1.979 179.467 177.584 -0.160 0.000 1.228 317 A CA 0.526 52.430 52.037 -0.220 0.000 0.857 317 A CB -0.473 18.378 19.000 -0.248 0.000 0.897 317 A HN 0.502 nan 8.150 nan 0.000 0.495 318 Q N 0.419 120.093 119.800 -0.210 0.000 2.014 318 Q HA -0.217 4.123 4.340 -0.000 0.000 0.207 318 Q C 1.932 178.102 176.000 0.284 0.000 0.993 318 Q CA 2.508 58.400 55.803 0.148 0.000 0.850 318 Q CB -0.430 28.358 28.738 0.084 0.000 0.916 318 Q HN 0.628 nan 8.270 nan 0.000 0.417 319 M N -0.175 119.504 119.600 0.131 0.000 2.143 319 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 319 M C 2.055 178.435 176.300 0.135 0.000 1.071 319 M CA 1.367 56.738 55.300 0.118 0.000 1.088 319 M CB -0.770 31.882 32.600 0.086 0.000 1.360 319 M HN 0.326 nan 8.290 nan 0.000 0.404 320 L N -0.032 121.263 121.223 0.119 0.000 2.349 320 L HA -0.150 4.190 4.340 -0.000 0.000 0.220 320 L C 1.521 178.480 176.870 0.148 0.000 1.130 320 L CA 0.503 55.410 54.840 0.111 0.000 0.791 320 L CB -0.932 41.151 42.059 0.039 0.000 0.918 320 L HN 0.461 nan 8.230 nan 0.000 0.444 321 Q N 0.452 120.367 119.800 0.192 0.000 2.286 321 Q HA 0.145 4.485 4.340 -0.000 0.000 0.290 321 Q C 1.178 177.203 176.000 0.042 0.000 1.049 321 Q CA 0.955 56.810 55.803 0.086 0.000 0.923 321 Q CB 0.535 29.271 28.738 -0.003 0.000 1.183 321 Q HN 0.361 nan 8.270 nan 0.000 0.383 322 G N 2.413 111.220 108.800 0.012 0.000 2.284 322 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.247 322 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.247 322 G C 0.099 175.020 174.900 0.036 0.000 1.012 322 G CA -0.022 45.085 45.100 0.012 0.000 0.618 322 G HN 0.780 nan 8.290 nan 0.000 0.521 323 c N 2.196 120.836 118.600 0.067 0.000 2.637 323 c HA 0.541 5.111 4.570 -0.000 0.000 0.418 323 c C 2.074 176.210 174.090 0.077 0.000 1.319 323 c CA 0.688 57.069 56.329 0.087 0.000 1.949 323 c CB 0.531 43.129 42.510 0.146 0.000 2.639 323 c HN 0.657 nan 8.230 nan 0.000 0.594 324 T N -0.550 114.043 114.554 0.064 0.000 3.015 324 T HA 0.298 4.647 4.350 -0.000 0.000 0.250 324 T C 0.295 175.036 174.700 0.069 0.000 1.057 324 T CA 0.540 62.672 62.100 0.055 0.000 1.066 324 T CB 0.115 69.002 68.868 0.031 0.000 0.959 324 T HN 0.624 nan 8.240 nan 0.000 0.488 325 I N 1.099 121.719 120.570 0.083 0.000 2.512 325 I HA 0.440 4.610 4.170 -0.000 0.000 0.287 325 I C -1.741 174.449 176.117 0.121 0.000 1.069 325 I CA -1.157 60.190 61.300 0.079 0.000 1.056 325 I CB 2.597 40.613 38.000 0.027 0.000 1.229 325 I HN 0.073 nan 8.210 nan 0.000 0.429 326 F N 7.127 127.085 119.950 0.013 0.000 2.361 326 F HA 0.385 4.912 4.527 -0.000 0.000 0.364 326 F C 0.116 175.915 175.800 -0.003 0.000 1.117 326 F CA -0.557 57.449 58.000 0.010 0.000 1.071 326 F CB 0.824 39.834 39.000 0.016 0.000 1.188 326 F HN 0.257 nan 8.300 nan 0.000 0.464 327 K N 5.536 125.532 120.400 -0.672 0.000 2.250 327 K HA 0.562 4.882 4.320 -0.000 0.000 0.285 327 K C 0.069 176.236 176.600 -0.723 0.000 1.097 327 K CA 0.198 56.197 56.287 -0.479 0.000 0.913 327 K CB 0.162 32.476 32.500 -0.311 0.000 1.179 327 K HN 1.033 nan 8.250 nan 0.000 0.462 328 G N 2.461 110.995 108.800 -0.443 0.000 2.356 328 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.266 328 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.266 328 G C -1.686 173.226 174.900 0.021 0.000 1.312 328 G CA -0.879 44.076 45.100 -0.241 0.000 0.922 328 G HN 0.471 nan 8.290 nan 0.000 0.480 329 N N -0.061 118.686 118.700 0.079 0.000 2.269 329 N HA 0.628 5.367 4.740 -0.000 0.000 0.304 329 N C -0.874 174.609 175.510 -0.045 0.000 1.072 329 N CA -0.468 52.463 53.050 -0.199 0.000 0.802 329 N CB 2.191 40.248 38.487 -0.717 0.000 1.348 329 N HN 0.471 nan 8.380 nan 0.000 0.484 330 L N 1.831 122.972 121.223 -0.137 0.000 2.272 330 L HA 0.405 4.745 4.340 -0.000 0.000 0.289 330 L C -0.490 176.332 176.870 -0.081 0.000 1.032 330 L CA -0.875 53.889 54.840 -0.126 0.000 0.810 330 L CB 1.116 43.122 42.059 -0.089 0.000 1.205 330 L HN 0.251 nan 8.230 nan 0.000 0.422 331 L N 6.255 127.444 121.223 -0.056 0.000 2.283 331 L HA 0.495 4.835 4.340 -0.000 0.000 0.281 331 L C -0.526 176.333 176.870 -0.018 0.000 1.033 331 L CA 0.076 54.911 54.840 -0.008 0.000 0.848 331 L CB 0.786 42.845 42.059 0.000 0.000 1.226 331 L HN 0.387 nan 8.230 nan 0.000 0.429 332 I N 5.362 125.930 120.570 -0.002 0.000 2.291 332 I HA 0.303 4.473 4.170 -0.000 0.000 0.290 332 I C 0.311 176.420 176.117 -0.015 0.000 1.050 332 I CA 0.028 61.334 61.300 0.010 0.000 1.245 332 I CB 0.518 38.566 38.000 0.081 0.000 1.405 332 I HN 0.602 nan 8.210 nan 0.000 0.478 333 N N 8.782 127.466 118.700 -0.026 0.000 2.844 333 N HA 0.350 5.090 4.740 -0.000 0.000 0.268 333 N C -1.054 174.440 175.510 -0.027 0.000 1.574 333 N CA -0.274 52.760 53.050 -0.027 0.000 0.838 333 N CB 0.682 39.161 38.487 -0.013 0.000 1.177 333 N HN 0.502 nan 8.380 nan 0.000 0.495 334 I N 3.114 123.656 120.570 -0.047 0.000 2.328 334 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 334 I C 1.534 177.622 176.117 -0.048 0.000 1.012 334 I CA -0.554 60.711 61.300 -0.059 0.000 1.195 334 I CB 1.278 39.220 38.000 -0.096 0.000 1.350 334 I HN 0.148 nan 8.210 nan 0.000 0.464 335 R N 4.198 124.689 120.500 -0.015 0.000 2.048 335 R HA 0.142 4.482 4.340 -0.000 0.000 0.221 335 R C 1.193 177.511 176.300 0.031 0.000 1.174 335 R CA 0.200 56.323 56.100 0.038 0.000 0.971 335 R CB -0.391 29.949 30.300 0.066 0.000 0.863 335 R HN 0.576 nan 8.270 nan 0.000 0.439 336 R N 1.940 122.440 120.500 0.000 0.000 2.484 336 R HA 0.287 4.627 4.340 -0.000 0.000 0.293 336 R C 0.400 176.683 176.300 -0.029 0.000 1.023 336 R CA 0.784 56.877 56.100 -0.013 0.000 1.037 336 R CB -0.478 29.808 30.300 -0.024 0.000 0.951 336 R HN 0.536 nan 8.270 nan 0.000 0.418 337 G N 2.247 111.033 108.800 -0.024 0.000 3.881 337 G HA2 0.316 4.276 3.960 -0.000 0.000 0.319 337 G HA3 0.316 4.276 3.960 -0.000 0.000 0.319 337 G C -0.139 174.739 174.900 -0.036 0.000 1.472 337 G CA -0.399 44.678 45.100 -0.038 0.000 0.851 337 G HN 0.672 nan 8.290 nan 0.000 0.495 338 N N 1.124 119.800 118.700 -0.040 0.000 2.014 338 N HA -0.094 4.646 4.740 -0.000 0.000 0.194 338 N C 0.687 176.176 175.510 -0.035 0.000 1.083 338 N CA 0.960 53.990 53.050 -0.033 0.000 0.870 338 N CB 0.070 38.537 38.487 -0.033 0.000 1.061 338 N HN 0.402 nan 8.380 nan 0.000 0.427 339 N N 0.197 118.872 118.700 -0.043 0.000 2.751 339 N HA 0.137 4.877 4.740 -0.000 0.000 0.238 339 N C -1.406 174.066 175.510 -0.063 0.000 1.351 339 N CA -0.149 52.873 53.050 -0.046 0.000 0.751 339 N CB 0.788 39.257 38.487 -0.030 0.000 1.342 339 N HN 0.228 nan 8.380 nan 0.000 0.540 340 I N 0.084 120.594 120.570 -0.100 0.000 2.377 340 I HA 0.586 4.756 4.170 -0.000 0.000 0.282 340 I C 0.076 176.061 176.117 -0.219 0.000 1.091 340 I CA -0.426 60.787 61.300 -0.145 0.000 1.207 340 I CB 0.136 38.033 38.000 -0.171 0.000 1.429 340 I HN 0.286 nan 8.210 nan 0.000 0.491 341 A N 3.081 125.809 122.820 -0.153 0.000 2.726 341 A HA 0.278 4.598 4.320 -0.000 0.000 0.192 341 A C 1.226 178.798 177.584 -0.020 0.000 1.412 341 A CA 0.445 52.393 52.037 -0.149 0.000 1.073 341 A CB 0.312 19.269 19.000 -0.073 0.000 1.331 341 A HN 0.544 nan 8.150 nan 0.000 0.537 342 S N -0.837 114.857 115.700 -0.010 0.000 2.818 342 S HA 0.109 4.579 4.470 -0.000 0.000 0.251 342 S C 1.412 176.046 174.600 0.057 0.000 1.083 342 S CA 0.681 58.901 58.200 0.034 0.000 0.871 342 S CB 0.083 63.295 63.200 0.021 0.000 0.831 342 S HN 0.496 nan 8.310 nan 0.000 0.470 343 E N 1.605 121.831 120.200 0.043 0.000 2.047 343 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 343 E C 1.810 178.533 176.600 0.205 0.000 0.987 343 E CA 1.094 57.561 56.400 0.112 0.000 0.799 343 E CB -0.236 29.494 29.700 0.049 0.000 0.752 343 E HN 0.401 nan 8.360 nan 0.000 0.449 344 L N 1.063 122.309 121.223 0.037 0.000 2.046 344 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 344 L C 2.645 179.653 176.870 0.230 0.000 1.077 344 L CA 1.221 56.074 54.840 0.021 0.000 0.747 344 L CB -0.380 41.469 42.059 -0.350 0.000 0.896 344 L HN 0.194 nan 8.230 nan 0.000 0.432 345 E N 0.467 120.790 120.200 0.204 0.000 2.338 345 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 345 E C 1.252 177.942 176.600 0.151 0.000 1.007 345 E CA 0.599 57.134 56.400 0.225 0.000 0.849 345 E CB 0.056 29.866 29.700 0.184 0.000 0.774 345 E HN 0.350 nan 8.360 nan 0.000 0.506 346 N N -1.010 117.766 118.700 0.126 0.000 2.362 346 N HA -0.001 4.739 4.740 -0.000 0.000 0.204 346 N C 0.062 175.438 175.510 -0.224 0.000 1.166 346 N CA 0.336 53.357 53.050 -0.048 0.000 0.831 346 N CB 0.085 38.511 38.487 -0.101 0.000 1.008 346 N HN 0.081 nan 8.380 nan 0.000 0.472 347 F N -1.852 118.122 119.950 0.041 0.000 2.828 347 F HA 0.348 4.875 4.527 -0.000 0.000 0.368 347 F C 1.232 177.061 175.800 0.050 0.000 0.877 347 F CA -0.034 57.985 58.000 0.032 0.000 1.071 347 F CB 0.481 39.489 39.000 0.013 0.000 1.006 347 F HN 0.033 nan 8.300 nan 0.000 0.598 348 M N -0.977 118.775 119.600 0.252 0.000 2.193 348 M HA 0.290 4.770 4.480 -0.000 0.000 0.365 348 M C 1.777 178.178 176.300 0.168 0.000 0.877 348 M CA 0.408 55.831 55.300 0.207 0.000 1.077 348 M CB 0.734 33.497 32.600 0.272 0.000 1.967 348 M HN 0.080 nan 8.290 nan 0.000 0.668 349 G N 0.814 109.707 108.800 0.155 0.000 2.598 349 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.215 349 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.215 349 G C 1.308 176.257 174.900 0.083 0.000 1.131 349 G CA 0.427 45.599 45.100 0.121 0.000 0.785 349 G HN 0.323 nan 8.290 nan 0.000 0.539 350 L N 0.239 121.505 121.223 0.072 0.000 2.477 350 L HA 0.351 4.691 4.340 -0.000 0.000 0.220 350 L C 0.678 177.582 176.870 0.057 0.000 1.106 350 L CA -0.279 54.592 54.840 0.051 0.000 0.851 350 L CB 0.130 42.209 42.059 0.035 0.000 0.994 350 L HN 0.079 nan 8.230 nan 0.000 0.462 351 I N 0.689 121.306 120.570 0.077 0.000 2.671 351 I HA -0.142 4.028 4.170 -0.000 0.000 0.285 351 I C 1.112 177.266 176.117 0.062 0.000 1.148 351 I CA 0.424 61.774 61.300 0.084 0.000 1.386 351 I CB 0.566 38.628 38.000 0.103 0.000 1.406 351 I HN 0.170 nan 8.210 nan 0.000 0.540 352 E N 4.388 124.616 120.200 0.046 0.000 2.276 352 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 352 E C 0.015 176.625 176.600 0.016 0.000 0.983 352 E CA 0.319 56.731 56.400 0.020 0.000 0.861 352 E CB 0.818 30.525 29.700 0.012 0.000 0.817 352 E HN 0.498 nan 8.360 nan 0.000 0.485 353 V N -0.418 119.521 119.914 0.042 0.000 2.733 353 V HA 0.448 4.567 4.120 -0.000 0.000 0.306 353 V C -1.342 174.804 176.094 0.088 0.000 1.084 353 V CA -0.875 61.451 62.300 0.043 0.000 0.905 353 V CB 2.040 33.878 31.823 0.024 0.000 1.010 353 V HN -0.236 nan 8.190 nan 0.000 0.424 354 V N 6.124 126.094 119.914 0.093 0.000 2.384 354 V HA 0.367 4.487 4.120 -0.000 0.000 0.287 354 V C 1.562 177.708 176.094 0.087 0.000 1.020 354 V CA 0.469 62.852 62.300 0.138 0.000 0.850 354 V CB 1.373 33.294 31.823 0.164 0.000 0.987 354 V HN 1.127 nan 8.190 nan 0.000 0.436 355 T N 1.933 116.518 114.554 0.051 0.000 2.857 355 T HA 0.015 4.364 4.350 -0.000 0.000 0.266 355 T C 1.305 176.028 174.700 0.038 0.000 1.048 355 T CA 1.028 63.139 62.100 0.019 0.000 1.139 355 T CB -0.043 68.807 68.868 -0.030 0.000 0.874 355 T HN 0.717 nan 8.240 nan 0.000 0.455 356 G N 1.013 109.833 108.800 0.033 0.000 3.086 356 G HA2 0.489 4.449 3.960 -0.000 0.000 0.159 356 G HA3 0.489 4.449 3.960 -0.000 0.000 0.159 356 G C -0.234 174.744 174.900 0.131 0.000 1.654 356 G CA -0.309 44.819 45.100 0.046 0.000 1.078 356 G HN 0.693 nan 8.290 nan 0.000 0.558 357 Y N -2.066 118.306 120.300 0.120 0.000 2.631 357 Y HA 0.742 5.291 4.550 -0.000 0.000 0.328 357 Y C -0.735 175.260 175.900 0.159 0.000 1.118 357 Y CA -1.844 56.343 58.100 0.145 0.000 1.206 357 Y CB 1.455 39.986 38.460 0.118 0.000 1.337 357 Y HN 0.260 nan 8.280 nan 0.000 0.515 358 V N 2.034 122.184 119.914 0.394 0.000 2.407 358 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 358 V C -0.809 175.405 176.094 0.199 0.000 1.018 358 V CA -0.880 61.579 62.300 0.264 0.000 0.842 358 V CB 1.026 33.085 31.823 0.393 0.000 0.996 358 V HN 0.753 nan 8.190 nan 0.000 0.426 359 K N 5.774 126.275 120.400 0.169 0.000 2.358 359 K HA 0.612 4.931 4.320 -0.000 0.000 0.260 359 K C -1.104 175.482 176.600 -0.023 0.000 0.956 359 K CA -0.438 55.899 56.287 0.084 0.000 0.834 359 K CB 1.082 33.707 32.500 0.208 0.000 1.102 359 K HN 0.533 nan 8.250 nan 0.000 0.431 360 I N 5.184 125.678 120.570 -0.127 0.000 2.328 360 I HA 0.422 4.591 4.170 -0.000 0.000 0.287 360 I C -0.399 175.660 176.117 -0.098 0.000 1.012 360 I CA -0.458 60.779 61.300 -0.107 0.000 1.195 360 I CB 0.830 38.743 38.000 -0.145 0.000 1.350 360 I HN 0.720 nan 8.210 nan 0.000 0.464 361 R N 5.650 126.089 120.500 -0.101 0.000 2.548 361 R HA 0.346 4.686 4.340 -0.000 0.000 0.280 361 R C -0.325 175.874 176.300 -0.168 0.000 1.061 361 R CA -0.481 55.513 56.100 -0.177 0.000 0.915 361 R CB 0.929 31.055 30.300 -0.288 0.000 1.210 361 R HN 0.784 nan 8.270 nan 0.000 0.442 362 H N 0.235 119.205 119.070 -0.167 0.000 2.958 362 H HA -0.138 4.418 4.556 -0.000 0.000 0.274 362 H C -0.574 174.421 175.328 -0.556 0.000 1.184 362 H CA 0.686 56.525 56.048 -0.349 0.000 1.143 362 H CB -0.775 28.909 29.762 -0.130 0.000 1.297 362 H HN 0.353 nan 8.280 nan 0.000 0.356 363 S N 0.680 116.185 115.700 -0.325 0.000 3.940 363 S HA 0.041 4.511 4.470 -0.000 0.000 0.210 363 S C 1.158 175.633 174.600 -0.209 0.000 1.419 363 S CA -0.521 57.556 58.200 -0.206 0.000 0.912 363 S CB -0.029 63.121 63.200 -0.083 0.000 1.489 363 S HN 0.360 nan 8.310 nan 0.000 0.469 364 H N 1.389 120.475 119.070 0.027 0.000 2.428 364 H HA 0.028 4.584 4.556 -0.000 0.000 0.296 364 H C 2.271 177.595 175.328 -0.008 0.000 1.062 364 H CA 1.054 57.108 56.048 0.011 0.000 1.350 364 H CB -0.274 29.488 29.762 0.000 0.000 1.403 364 H HN 0.627 nan 8.280 nan 0.000 0.533 365 A N 1.134 123.994 122.820 0.067 0.000 2.245 365 A HA -0.040 4.279 4.320 -0.000 0.000 0.217 365 A C 1.114 178.684 177.584 -0.024 0.000 1.171 365 A CA 0.648 52.687 52.037 0.003 0.000 0.688 365 A CB -0.608 18.366 19.000 -0.043 0.000 0.781 365 A HN 0.183 nan 8.150 nan 0.000 0.479 366 L N -1.653 119.565 121.223 -0.008 0.000 2.342 366 L HA 0.418 4.758 4.340 -0.000 0.000 0.271 366 L C 0.643 177.522 176.870 0.014 0.000 1.008 366 L CA -0.662 54.172 54.840 -0.011 0.000 0.818 366 L CB 2.187 44.256 42.059 0.017 0.000 1.296 366 L HN -0.073 nan 8.230 nan 0.000 0.427 367 V N -0.188 119.732 119.914 0.010 0.000 3.612 367 V HA 0.164 4.284 4.120 -0.000 0.000 0.268 367 V C 0.372 176.454 176.094 -0.019 0.000 1.365 367 V CA 0.341 62.642 62.300 0.001 0.000 1.044 367 V CB 1.189 33.009 31.823 -0.006 0.000 0.820 367 V HN 0.775 nan 8.190 nan 0.000 0.444 368 S N -0.998 114.695 115.700 -0.011 0.000 2.625 368 S HA 0.610 5.080 4.470 -0.000 0.000 0.271 368 S C -0.732 173.808 174.600 -0.099 0.000 1.161 368 S CA -0.480 57.661 58.200 -0.097 0.000 0.820 368 S CB 1.867 65.005 63.200 -0.104 0.000 1.137 368 S HN 0.084 nan 8.310 nan 0.000 0.470 369 L N 2.685 123.620 121.223 -0.480 0.000 2.818 369 L HA 0.243 4.582 4.340 -0.000 0.000 0.243 369 L C 1.873 178.080 176.870 -1.105 0.000 1.185 369 L CA 0.152 54.467 54.840 -0.875 0.000 0.988 369 L CB 0.290 41.609 42.059 -1.233 0.000 1.292 369 L HN 0.774 nan 8.230 nan 0.000 0.519 370 S N 0.225 115.598 115.700 -0.546 0.000 2.474 370 S HA -0.209 4.261 4.470 -0.000 0.000 0.235 370 S C 1.841 176.419 174.600 -0.036 0.000 0.997 370 S CA 0.684 58.735 58.200 -0.249 0.000 0.949 370 S CB -0.698 62.440 63.200 -0.103 0.000 0.766 370 S HN 0.584 nan 8.310 nan 0.000 0.517 371 F N 1.229 121.159 119.950 -0.034 0.000 2.373 371 F HA 0.252 4.779 4.527 -0.000 0.000 0.300 371 F C 0.730 176.589 175.800 0.099 0.000 1.080 371 F CA 0.020 58.037 58.000 0.029 0.000 1.417 371 F CB -0.823 38.183 39.000 0.009 0.000 1.070 371 F HN 0.064 nan 8.300 nan 0.000 0.546 372 L N 1.833 122.892 121.223 -0.275 0.000 2.480 372 L HA 0.208 4.548 4.340 -0.000 0.000 0.243 372 L C 1.588 178.593 176.870 0.226 0.000 1.315 372 L CA -0.213 54.647 54.840 0.033 0.000 1.231 372 L CB -0.028 42.138 42.059 0.177 0.000 1.444 372 L HN -0.011 nan 8.230 nan 0.000 0.409 373 K N 1.162 121.649 120.400 0.144 0.000 2.097 373 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 373 K C 1.311 177.963 176.600 0.087 0.000 1.050 373 K CA 1.700 58.061 56.287 0.125 0.000 0.938 373 K CB 0.091 32.651 32.500 0.100 0.000 0.718 373 K HN 0.498 nan 8.250 nan 0.000 0.442 374 N N -0.518 118.223 118.700 0.069 0.000 2.280 374 N HA 0.038 4.778 4.740 -0.000 0.000 0.192 374 N C -0.862 174.650 175.510 0.003 0.000 1.109 374 N CA -0.380 52.690 53.050 0.033 0.000 0.855 374 N CB 0.285 38.792 38.487 0.034 0.000 0.974 374 N HN -0.004 nan 8.380 nan 0.000 0.482 375 L N 2.962 124.186 121.223 0.002 0.000 2.700 375 L HA -0.062 4.278 4.340 -0.000 0.000 0.272 375 L C 1.434 178.211 176.870 -0.154 0.000 1.176 375 L CA 0.537 55.340 54.840 -0.061 0.000 0.961 375 L CB 0.205 42.230 42.059 -0.058 0.000 1.249 375 L HN 0.178 nan 8.230 nan 0.000 0.487 376 R N 4.486 124.923 120.500 -0.105 0.000 2.221 376 R HA 0.318 4.658 4.340 -0.000 0.000 0.195 376 R C -0.292 175.936 176.300 -0.120 0.000 0.956 376 R CA 0.026 56.058 56.100 -0.114 0.000 1.064 376 R CB -0.035 30.226 30.300 -0.064 0.000 1.049 376 R HN 0.490 nan 8.270 nan 0.000 0.534 377 L N -0.735 120.437 121.223 -0.084 0.000 2.472 377 L HA 0.616 4.956 4.340 -0.000 0.000 0.260 377 L C -1.445 175.407 176.870 -0.029 0.000 0.963 377 L CA -0.990 53.809 54.840 -0.069 0.000 0.829 377 L CB 2.299 44.330 42.059 -0.048 0.000 1.348 377 L HN -0.087 nan 8.230 nan 0.000 0.408 378 I N 4.328 124.886 120.570 -0.020 0.000 2.362 378 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 378 I C 0.608 176.755 176.117 0.049 0.000 0.994 378 I CA -0.400 60.926 61.300 0.044 0.000 1.158 378 I CB 1.887 39.942 38.000 0.092 0.000 1.315 378 I HN 0.782 nan 8.210 nan 0.000 0.451 379 L N 4.821 126.079 121.223 0.058 0.000 2.249 379 L HA 0.192 4.532 4.340 -0.000 0.000 0.207 379 L C 1.590 178.497 176.870 0.062 0.000 1.090 379 L CA 0.624 55.491 54.840 0.044 0.000 0.802 379 L CB -0.203 41.875 42.059 0.032 0.000 0.947 379 L HN 1.028 nan 8.230 nan 0.000 0.453 380 G N 0.653 109.512 108.800 0.099 0.000 2.221 380 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.265 380 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.265 380 G C 0.632 175.586 174.900 0.091 0.000 1.041 380 G CA 0.547 45.719 45.100 0.120 0.000 0.807 380 G HN 0.507 nan 8.290 nan 0.000 0.502 381 E N -0.359 119.886 120.200 0.075 0.000 2.208 381 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 381 E C 1.023 177.665 176.600 0.069 0.000 0.988 381 E CA 1.108 57.540 56.400 0.052 0.000 0.828 381 E CB 0.392 30.110 29.700 0.030 0.000 0.763 381 E HN 0.784 nan 8.360 nan 0.000 0.478 382 E N 0.803 121.074 120.200 0.119 0.000 2.292 382 E HA 0.186 4.536 4.350 -0.000 0.000 0.272 382 E C -1.291 175.477 176.600 0.280 0.000 0.881 382 E CA -0.403 56.093 56.400 0.160 0.000 0.754 382 E CB 1.419 31.214 29.700 0.158 0.000 1.201 382 E HN -0.073 nan 8.360 nan 0.000 0.425 383 Q N 2.660 122.548 119.800 0.147 0.000 2.451 383 Q HA 0.451 4.791 4.340 -0.000 0.000 0.281 383 Q C -0.753 175.120 176.000 -0.212 0.000 1.099 383 Q CA -1.065 54.742 55.803 0.008 0.000 0.806 383 Q CB 2.146 30.885 28.738 0.002 0.000 1.419 383 Q HN 0.481 nan 8.270 nan 0.000 0.427 384 L N 1.065 122.032 121.223 -0.426 0.000 2.436 384 L HA 0.168 4.507 4.340 -0.000 0.000 0.265 384 L C -0.030 176.730 176.870 -0.184 0.000 1.168 384 L CA -0.530 54.062 54.840 -0.412 0.000 0.815 384 L CB 0.124 41.837 42.059 -0.577 0.000 1.109 384 L HN 0.491 nan 8.230 nan 0.000 0.462 385 E N 1.946 122.053 120.200 -0.156 0.000 2.905 385 E HA 0.195 4.545 4.350 -0.000 0.000 0.240 385 E C 0.908 177.470 176.600 -0.062 0.000 0.990 385 E CA 1.335 57.675 56.400 -0.099 0.000 0.954 385 E CB -0.320 29.330 29.700 -0.084 0.000 0.908 385 E HN 0.784 nan 8.360 nan 0.000 0.532 386 G N 3.248 111.962 108.800 -0.143 0.000 2.296 386 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.188 386 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.188 386 G C -0.009 174.537 174.900 -0.590 0.000 1.000 386 G CA -0.312 44.621 45.100 -0.279 0.000 0.672 386 G HN 0.445 nan 8.290 nan 0.000 0.483 387 N N -1.161 117.284 118.700 -0.425 0.000 2.929 387 N HA -0.136 4.604 4.740 -0.000 0.000 0.246 387 N C -0.654 174.609 175.510 -0.412 0.000 1.111 387 N CA 0.998 53.836 53.050 -0.354 0.000 0.679 387 N CB -1.982 36.348 38.487 -0.261 0.000 1.008 387 N HN 0.685 nan 8.380 nan 0.000 0.559 388 Y N -0.599 119.695 120.300 -0.010 0.000 2.331 388 Y HA 0.394 4.944 4.550 -0.000 0.000 0.338 388 Y C 1.544 177.477 175.900 0.055 0.000 0.992 388 Y CA -0.525 57.607 58.100 0.054 0.000 1.121 388 Y CB 1.643 40.183 38.460 0.132 0.000 1.184 388 Y HN -0.018 nan 8.280 nan 0.000 0.469 389 S N 2.579 118.474 115.700 0.324 0.000 2.475 389 S HA 0.064 4.534 4.470 -0.000 0.000 0.224 389 S C -0.588 174.285 174.600 0.454 0.000 1.042 389 S CA 0.245 58.650 58.200 0.340 0.000 0.935 389 S CB 0.215 63.579 63.200 0.274 0.000 0.801 389 S HN 0.492 nan 8.310 nan 0.000 0.509 390 F N 1.578 121.679 119.950 0.253 0.000 2.553 390 F HA 0.544 5.071 4.527 -0.000 0.000 0.335 390 F C -1.504 174.341 175.800 0.074 0.000 1.148 390 F CA -1.248 56.866 58.000 0.190 0.000 0.963 390 F CB 1.151 40.253 39.000 0.170 0.000 1.217 390 F HN 0.016 nan 8.300 nan 0.000 0.441 391 Y N 5.998 125.958 120.300 -0.566 0.000 2.322 391 Y HA 0.654 5.204 4.550 -0.000 0.000 0.324 391 Y C -1.710 173.846 175.900 -0.574 0.000 1.027 391 Y CA -0.852 56.967 58.100 -0.469 0.000 1.179 391 Y CB 1.630 39.938 38.460 -0.254 0.000 1.136 391 Y HN 0.290 nan 8.280 nan 0.000 0.449 392 V N 7.921 127.358 119.914 -0.795 0.000 2.357 392 V HA 0.484 4.603 4.120 -0.000 0.000 0.281 392 V C -1.035 174.834 176.094 -0.376 0.000 1.015 392 V CA -0.617 61.343 62.300 -0.566 0.000 0.827 392 V CB 1.269 32.690 31.823 -0.671 0.000 1.018 392 V HN 0.619 nan 8.190 nan 0.000 0.432 393 L N 3.101 124.238 121.223 -0.144 0.000 2.422 393 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 393 L C -0.220 176.713 176.870 0.105 0.000 0.984 393 L CA 0.073 54.919 54.840 0.010 0.000 0.819 393 L CB 2.008 44.144 42.059 0.129 0.000 1.330 393 L HN 0.598 nan 8.230 nan 0.000 0.410 394 D N 2.770 123.313 120.400 0.239 0.000 2.812 394 D HA -0.214 4.425 4.640 -0.000 0.000 0.237 394 D C -1.192 175.235 176.300 0.212 0.000 1.162 394 D CA 0.728 54.901 54.000 0.288 0.000 0.740 394 D CB -0.676 40.336 40.800 0.354 0.000 1.000 394 D HN 0.711 nan 8.370 nan 0.000 0.416 395 N N 2.080 120.888 118.700 0.180 0.000 2.696 395 N HA 0.135 4.875 4.740 -0.000 0.000 0.246 395 N C 1.083 176.738 175.510 0.241 0.000 1.057 395 N CA -0.403 52.705 53.050 0.098 0.000 0.867 395 N CB 1.228 39.739 38.487 0.040 0.000 1.141 395 N HN 0.350 nan 8.380 nan 0.000 0.517 396 Q N 0.599 120.722 119.800 0.539 0.000 2.112 396 Q HA -0.062 4.278 4.340 -0.000 0.000 0.206 396 Q C 0.742 176.841 176.000 0.165 0.000 0.987 396 Q CA 1.529 57.515 55.803 0.305 0.000 0.858 396 Q CB 0.199 28.996 28.738 0.098 0.000 0.905 396 Q HN 0.429 nan 8.270 nan 0.000 0.420 397 N N -0.515 118.279 118.700 0.157 0.000 2.220 397 N HA 0.047 4.786 4.740 -0.000 0.000 0.195 397 N C -0.413 175.129 175.510 0.055 0.000 1.123 397 N CA -0.060 53.038 53.050 0.080 0.000 0.874 397 N CB 0.410 38.938 38.487 0.068 0.000 0.995 397 N HN 0.114 nan 8.380 nan 0.000 0.498 398 L N 1.957 123.216 121.223 0.060 0.000 2.615 398 L HA -0.059 4.281 4.340 -0.000 0.000 0.271 398 L C 1.397 178.279 176.870 0.021 0.000 1.183 398 L CA 0.716 55.577 54.840 0.036 0.000 0.933 398 L CB 0.530 42.618 42.059 0.048 0.000 1.199 398 L HN 0.052 nan 8.230 nan 0.000 0.487 399 Q N 2.151 121.949 119.800 -0.003 0.000 2.402 399 Q HA 0.130 4.470 4.340 -0.000 0.000 0.231 399 Q C -0.342 175.636 176.000 -0.038 0.000 0.888 399 Q CA 0.339 56.133 55.803 -0.015 0.000 0.938 399 Q CB 0.585 29.313 28.738 -0.017 0.000 1.086 399 Q HN 0.835 nan 8.270 nan 0.000 0.543 400 Q N -1.976 117.784 119.800 -0.066 0.000 2.553 400 Q HA 0.398 4.738 4.340 -0.000 0.000 0.293 400 Q C -0.464 175.432 176.000 -0.174 0.000 1.038 400 Q CA -0.588 55.144 55.803 -0.119 0.000 0.777 400 Q CB 1.030 29.670 28.738 -0.164 0.000 1.487 400 Q HN -0.008 nan 8.270 nan 0.000 0.426 401 L N -0.889 120.193 121.223 -0.235 0.000 2.185 401 L HA 0.431 4.771 4.340 -0.000 0.000 0.202 401 L C 0.450 176.851 176.870 -0.781 0.000 1.234 401 L CA -0.193 54.424 54.840 -0.373 0.000 1.175 401 L CB 0.049 42.150 42.059 0.070 0.000 1.136 401 L HN 0.514 nan 8.230 nan 0.000 0.643 402 W N -0.270 120.571 121.300 -0.765 0.000 2.736 402 W HA 0.209 4.869 4.660 -0.000 0.000 0.355 402 W C -0.622 175.225 176.519 -1.120 0.000 1.102 402 W CA -0.672 56.146 57.345 -0.878 0.000 1.164 402 W CB 0.845 29.772 29.460 -0.889 0.000 1.422 402 W HN 0.129 nan 8.180 nan 0.000 0.572 403 D N 1.114 121.273 120.400 -0.401 0.000 2.367 403 D HA -0.004 4.636 4.640 -0.000 0.000 0.255 403 D C 0.337 176.562 176.300 -0.125 0.000 1.300 403 D CA 0.022 53.857 54.000 -0.274 0.000 0.959 403 D CB 0.122 40.871 40.800 -0.085 0.000 1.064 403 D HN 0.296 nan 8.370 nan 0.000 0.509 404 W N 3.310 124.660 121.300 0.085 0.000 3.168 404 W HA -0.016 4.644 4.660 -0.000 0.000 0.332 404 W C 0.708 177.245 176.519 0.030 0.000 1.193 404 W CA -0.839 56.537 57.345 0.052 0.000 1.746 404 W CB 0.408 29.894 29.460 0.045 0.000 0.907 404 W HN 0.324 nan 8.180 nan 0.000 0.726 405 D N -3.105 117.439 120.400 0.240 0.000 2.017 405 D HA -0.026 4.614 4.640 -0.000 0.000 0.336 405 D C 2.011 178.374 176.300 0.105 0.000 1.104 405 D CA 1.012 55.098 54.000 0.142 0.000 0.965 405 D CB -0.377 40.480 40.800 0.097 0.000 1.864 405 D HN 0.301 nan 8.370 nan 0.000 0.538 406 H N 0.332 119.457 119.070 0.090 0.000 2.539 406 H HA 0.426 4.981 4.556 -0.000 0.000 0.267 406 H C 0.832 176.209 175.328 0.081 0.000 0.982 406 H CA 0.386 56.474 56.048 0.066 0.000 1.146 406 H CB 0.426 30.213 29.762 0.042 0.000 1.382 406 H HN -0.128 nan 8.280 nan 0.000 0.577 407 R N -0.640 119.941 120.500 0.135 0.000 2.707 407 R HA 0.405 4.745 4.340 -0.000 0.000 0.272 407 R C -1.733 174.685 176.300 0.197 0.000 1.011 407 R CA -0.710 55.475 56.100 0.142 0.000 0.893 407 R CB 2.082 32.462 30.300 0.134 0.000 1.233 407 R HN 0.471 nan 8.270 nan 0.000 0.464 408 N N 1.151 119.903 118.700 0.086 0.000 2.249 408 N HA 0.591 5.331 4.740 -0.000 0.000 0.296 408 N C -1.976 173.489 175.510 -0.075 0.000 1.051 408 N CA -0.612 52.453 53.050 0.024 0.000 0.815 408 N CB 1.711 40.191 38.487 -0.011 0.000 1.487 408 N HN 0.321 nan 8.380 nan 0.000 0.475 409 L N 1.598 122.733 121.223 -0.146 0.000 2.466 409 L HA 0.697 5.037 4.340 -0.000 0.000 0.258 409 L C -1.496 175.237 176.870 -0.228 0.000 0.973 409 L CA -0.065 54.628 54.840 -0.244 0.000 0.826 409 L CB 2.422 44.229 42.059 -0.419 0.000 1.372 409 L HN 0.515 nan 8.230 nan 0.000 0.409 410 T N 4.929 119.371 114.554 -0.187 0.000 2.916 410 T HA 0.616 4.966 4.350 -0.000 0.000 0.298 410 T C -0.805 173.835 174.700 -0.101 0.000 1.031 410 T CA -0.173 61.845 62.100 -0.136 0.000 0.993 410 T CB 1.320 70.132 68.868 -0.093 0.000 1.045 410 T HN 0.481 nan 8.240 nan 0.000 0.454 411 I N 2.864 123.389 120.570 -0.076 0.000 2.428 411 I HA 0.228 4.398 4.170 -0.000 0.000 0.279 411 I C 1.447 177.561 176.117 -0.005 0.000 1.040 411 I CA -0.652 60.635 61.300 -0.022 0.000 1.171 411 I CB 1.378 39.380 38.000 0.002 0.000 1.312 411 I HN 0.467 nan 8.210 nan 0.000 0.470 412 K N 3.981 124.382 120.400 0.002 0.000 2.044 412 K HA 0.001 4.320 4.320 -0.000 0.000 0.210 412 K C 0.745 177.352 176.600 0.013 0.000 1.049 412 K CA 1.549 57.837 56.287 0.003 0.000 0.927 412 K CB 0.035 32.540 32.500 0.008 0.000 0.713 412 K HN 0.804 nan 8.250 nan 0.000 0.443 413 A N -2.469 120.369 122.820 0.030 0.000 2.556 413 A HA 0.682 5.001 4.320 -0.000 0.000 0.294 413 A C 0.322 177.938 177.584 0.055 0.000 1.091 413 A CA -0.145 51.911 52.037 0.032 0.000 0.704 413 A CB 1.421 20.437 19.000 0.027 0.000 1.300 413 A HN 1.079 nan 8.150 nan 0.000 0.406 414 G N 0.360 109.185 108.800 0.042 0.000 2.631 414 G HA2 0.348 4.308 3.960 -0.000 0.000 0.504 414 G HA3 0.348 4.308 3.960 -0.000 0.000 0.504 414 G C -0.563 174.386 174.900 0.082 0.000 1.306 414 G CA 0.011 45.142 45.100 0.052 0.000 0.897 414 G HN 1.735 nan 8.290 nan 0.000 0.520 415 K N -1.774 118.700 120.400 0.124 0.000 2.283 415 K HA 0.854 5.174 4.320 -0.000 0.000 0.257 415 K C 0.051 176.914 176.600 0.439 0.000 1.066 415 K CA -1.226 55.194 56.287 0.221 0.000 0.891 415 K CB 1.393 33.987 32.500 0.157 0.000 1.438 415 K HN 0.784 nan 8.250 nan 0.000 0.464 416 M N 0.563 120.419 119.600 0.427 0.000 2.644 416 M HA 0.421 4.901 4.480 -0.000 0.000 0.316 416 M C -1.369 175.061 176.300 0.216 0.000 1.200 416 M CA -1.062 54.463 55.300 0.376 0.000 0.944 416 M CB 1.469 34.300 32.600 0.386 0.000 1.691 416 M HN 0.673 nan 8.290 nan 0.000 0.471 417 Y N 1.120 121.183 120.300 -0.395 0.000 2.406 417 Y HA 0.659 5.209 4.550 -0.000 0.000 0.340 417 Y C -2.255 173.205 175.900 -0.733 0.000 0.975 417 Y CA -1.234 56.483 58.100 -0.639 0.000 1.056 417 Y CB 1.449 39.136 38.460 -1.290 0.000 1.210 417 Y HN 0.563 nan 8.280 nan 0.000 0.448 418 F N 4.586 123.951 119.950 -0.974 0.000 2.493 418 F HA 0.845 5.371 4.527 -0.000 0.000 0.329 418 F C -0.262 174.941 175.800 -0.995 0.000 1.126 418 F CA -0.516 57.006 58.000 -0.796 0.000 0.937 418 F CB 2.072 40.833 39.000 -0.397 0.000 1.146 418 F HN 0.671 nan 8.300 nan 0.000 0.442 419 A N 2.543 125.015 122.820 -0.581 0.000 2.540 419 A HA 0.693 5.012 4.320 -0.000 0.000 0.297 419 A C -0.966 176.603 177.584 -0.025 0.000 1.056 419 A CA -0.709 51.102 52.037 -0.377 0.000 0.700 419 A CB 0.380 19.198 19.000 -0.303 0.000 1.280 419 A HN 0.787 nan 8.150 nan 0.000 0.398 420 F N 0.136 120.063 119.950 -0.039 0.000 3.028 420 F HA -0.171 4.356 4.527 -0.000 0.000 0.306 420 F C 0.305 176.130 175.800 0.041 0.000 0.896 420 F CA 0.694 58.705 58.000 0.019 0.000 1.184 420 F CB -1.314 37.718 39.000 0.054 0.000 1.213 420 F HN 0.639 nan 8.300 nan 0.000 0.629 421 N N 1.514 120.275 118.700 0.102 0.000 2.898 421 N HA 0.211 4.951 4.740 -0.000 0.000 0.245 421 N C -1.746 173.794 175.510 0.049 0.000 1.185 421 N CA -1.238 51.868 53.050 0.095 0.000 0.879 421 N CB 1.123 39.664 38.487 0.091 0.000 1.157 421 N HN 0.081 nan 8.380 nan 0.000 0.503 422 P HA -0.104 nan 4.420 nan 0.000 0.220 422 P C 0.494 177.809 177.300 0.024 0.000 1.148 422 P CA 1.194 64.317 63.100 0.038 0.000 0.803 422 P CB 0.422 32.157 31.700 0.058 0.000 0.782 423 K N -0.523 119.897 120.400 0.032 0.000 2.446 423 K HA 0.199 4.518 4.320 -0.000 0.000 0.203 423 K C 0.322 176.927 176.600 0.009 0.000 1.027 423 K CA -0.297 56.002 56.287 0.019 0.000 1.166 423 K CB 0.109 32.623 32.500 0.024 0.000 0.869 423 K HN 0.139 nan 8.250 nan 0.000 0.504 424 L N 1.218 122.442 121.223 0.002 0.000 2.384 424 L HA 0.271 4.611 4.340 -0.000 0.000 0.261 424 L C -0.539 176.309 176.870 -0.036 0.000 1.024 424 L CA -0.440 54.391 54.840 -0.015 0.000 0.899 424 L CB 0.621 42.675 42.059 -0.009 0.000 1.243 424 L HN 0.039 nan 8.230 nan 0.000 0.449 425 c N 3.216 121.804 118.600 -0.020 0.000 2.563 425 c HA 0.016 4.586 4.570 -0.000 0.000 0.411 425 c C 2.338 176.418 174.090 -0.017 0.000 1.386 425 c CA 0.235 56.560 56.329 -0.007 0.000 1.703 425 c CB 0.239 42.755 42.510 0.011 0.000 2.596 425 c HN 0.773 nan 8.230 nan 0.000 0.605 426 V N 3.002 122.925 119.914 0.014 0.000 2.720 426 V HA -0.113 4.007 4.120 -0.000 0.000 0.256 426 V C 2.166 178.366 176.094 0.176 0.000 1.082 426 V CA 2.230 64.540 62.300 0.017 0.000 1.101 426 V CB -1.005 30.934 31.823 0.195 0.000 0.693 426 V HN 0.903 nan 8.190 nan 0.000 0.479 427 S N 0.078 115.895 115.700 0.195 0.000 2.374 427 S HA -0.236 4.234 4.470 -0.000 0.000 0.227 427 S C 2.043 176.748 174.600 0.175 0.000 1.037 427 S CA 2.016 60.334 58.200 0.197 0.000 1.024 427 S CB -0.400 62.859 63.200 0.099 0.000 0.861 427 S HN 0.771 nan 8.310 nan 0.000 0.456 428 E N 0.793 121.064 120.200 0.119 0.000 2.051 428 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 428 E C 2.099 178.798 176.600 0.166 0.000 0.991 428 E CA 0.975 57.498 56.400 0.206 0.000 0.799 428 E CB -0.500 29.263 29.700 0.105 0.000 0.748 428 E HN 0.554 nan 8.360 nan 0.000 0.449 429 I N 0.234 120.727 120.570 -0.128 0.000 2.194 429 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 429 I C 2.240 178.180 176.117 -0.294 0.000 1.093 429 I CA 1.431 62.471 61.300 -0.434 0.000 1.355 429 I CB -0.434 37.040 38.000 -0.877 0.000 1.046 429 I HN 0.110 nan 8.210 nan 0.000 0.413 430 Y N 0.050 120.292 120.300 -0.098 0.000 2.439 430 Y HA -0.187 4.362 4.550 -0.000 0.000 0.292 430 Y C 2.681 178.526 175.900 -0.091 0.000 1.130 430 Y CA 0.846 58.902 58.100 -0.074 0.000 1.254 430 Y CB -0.209 38.218 38.460 -0.054 0.000 1.000 430 Y HN 0.063 nan 8.280 nan 0.000 0.554 431 R N 0.600 121.125 120.500 0.043 0.000 2.057 431 R HA -0.097 4.243 4.340 -0.000 0.000 0.224 431 R C 2.308 178.318 176.300 -0.484 0.000 1.136 431 R CA 1.394 57.429 56.100 -0.108 0.000 0.968 431 R CB -0.594 29.748 30.300 0.070 0.000 0.863 431 R HN 0.323 nan 8.270 nan 0.000 0.433 432 M N 0.739 119.978 119.600 -0.602 0.000 2.088 432 M HA -0.282 4.198 4.480 -0.000 0.000 0.256 432 M C 1.665 177.678 176.300 -0.478 0.000 1.071 432 M CA 2.197 56.995 55.300 -0.837 0.000 1.097 432 M CB -0.265 32.281 32.600 -0.090 0.000 1.315 432 M HN 0.281 nan 8.290 nan 0.000 0.406 433 E N 0.186 120.251 120.200 -0.225 0.000 2.086 433 E HA -0.303 4.047 4.350 -0.000 0.000 0.205 433 E C 1.733 178.238 176.600 -0.158 0.000 1.027 433 E CA 2.486 58.808 56.400 -0.130 0.000 0.830 433 E CB -0.391 29.283 29.700 -0.043 0.000 0.751 433 E HN 0.767 nan 8.360 nan 0.000 0.456 434 E N 0.450 120.546 120.200 -0.172 0.000 2.017 434 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 434 E C 2.340 178.814 176.600 -0.210 0.000 0.997 434 E CA 1.587 57.897 56.400 -0.150 0.000 0.804 434 E CB -0.459 29.168 29.700 -0.121 0.000 0.757 434 E HN 0.061 nan 8.360 nan 0.000 0.448 435 V N 2.230 121.939 119.914 -0.342 0.000 2.231 435 V HA -0.309 3.810 4.120 -0.000 0.000 0.250 435 V C 2.779 178.690 176.094 -0.304 0.000 1.058 435 V CA 2.630 64.707 62.300 -0.372 0.000 1.022 435 V CB -1.392 30.030 31.823 -0.670 0.000 0.640 435 V HN 0.568 nan 8.190 nan 0.000 0.445 436 T N -1.967 112.388 114.554 -0.332 0.000 3.113 436 T HA 0.179 4.529 4.350 -0.000 0.000 0.263 436 T C 1.551 176.164 174.700 -0.145 0.000 1.143 436 T CA 0.874 62.831 62.100 -0.239 0.000 1.090 436 T CB -0.100 68.621 68.868 -0.245 0.000 0.922 436 T HN 1.168 nan 8.240 nan 0.000 0.521 437 G N 1.647 110.372 108.800 -0.126 0.000 2.168 437 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 437 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 437 G C 0.761 175.632 174.900 -0.048 0.000 0.997 437 G CA 0.724 45.779 45.100 -0.077 0.000 0.708 437 G HN 0.910 nan 8.290 nan 0.000 0.520 438 T N -2.252 112.275 114.554 -0.044 0.000 3.144 438 T HA 0.331 4.681 4.350 -0.000 0.000 0.249 438 T C 0.908 175.616 174.700 0.014 0.000 1.089 438 T CA 0.639 62.740 62.100 0.001 0.000 0.989 438 T CB 0.428 69.311 68.868 0.026 0.000 0.992 438 T HN 0.527 nan 8.240 nan 0.000 0.540 439 K N 1.534 121.929 120.400 -0.008 0.000 2.382 439 K HA 0.343 4.663 4.320 -0.000 0.000 0.286 439 K C 1.170 177.781 176.600 0.018 0.000 1.062 439 K CA 0.805 57.096 56.287 0.008 0.000 1.000 439 K CB -0.568 31.926 32.500 -0.009 0.000 0.954 439 K HN 0.450 nan 8.250 nan 0.000 0.470 440 G N 4.086 112.907 108.800 0.035 0.000 2.211 440 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.201 440 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.201 440 G C 0.379 175.300 174.900 0.035 0.000 0.997 440 G CA 0.003 45.122 45.100 0.032 0.000 0.652 440 G HN 0.704 nan 8.290 nan 0.000 0.500 441 R N -0.166 120.359 120.500 0.043 0.000 2.427 441 R HA 0.462 4.802 4.340 -0.000 0.000 0.262 441 R C 0.458 176.798 176.300 0.067 0.000 0.943 441 R CA -0.178 55.947 56.100 0.042 0.000 1.081 441 R CB 0.358 30.679 30.300 0.036 0.000 1.166 441 R HN 0.323 nan 8.270 nan 0.000 0.534 442 Q N 1.472 121.323 119.800 0.086 0.000 2.271 442 Q HA 0.453 4.792 4.340 -0.000 0.000 0.258 442 Q C 0.085 176.153 176.000 0.113 0.000 0.936 442 Q CA 0.046 55.924 55.803 0.126 0.000 0.909 442 Q CB 1.808 30.624 28.738 0.130 0.000 1.253 442 Q HN 0.362 nan 8.270 nan 0.000 0.440 443 S N 1.581 117.366 115.700 0.141 0.000 2.562 443 S HA 0.206 4.676 4.470 -0.000 0.000 0.256 443 S C 0.628 175.302 174.600 0.123 0.000 1.248 443 S CA 0.163 58.435 58.200 0.121 0.000 0.988 443 S CB 0.238 63.520 63.200 0.137 0.000 1.035 443 S HN 0.385 nan 8.310 nan 0.000 0.548 444 K N -0.379 120.088 120.400 0.110 0.000 2.438 444 K HA 0.268 4.588 4.320 -0.000 0.000 0.206 444 K C 1.525 178.184 176.600 0.098 0.000 1.081 444 K CA 0.471 56.818 56.287 0.100 0.000 1.053 444 K CB -0.037 32.512 32.500 0.081 0.000 0.908 444 K HN 0.647 nan 8.250 nan 0.000 0.556 445 G N 0.521 109.395 108.800 0.124 0.000 2.813 445 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.209 445 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.209 445 G C 0.856 175.865 174.900 0.182 0.000 1.150 445 G CA 0.127 45.309 45.100 0.137 0.000 0.785 445 G HN 0.147 nan 8.290 nan 0.000 0.535 446 D N 1.105 121.622 120.400 0.195 0.000 2.078 446 D HA -0.065 4.574 4.640 -0.000 0.000 0.193 446 D C 1.169 177.461 176.300 -0.012 0.000 0.990 446 D CA 0.861 54.981 54.000 0.199 0.000 0.827 446 D CB 0.049 40.987 40.800 0.229 0.000 0.975 446 D HN 0.303 nan 8.370 nan 0.000 0.451 447 I N 1.638 122.200 120.570 -0.013 0.000 2.479 447 I HA 0.125 4.295 4.170 -0.000 0.000 0.279 447 I C -0.310 175.755 176.117 -0.087 0.000 1.102 447 I CA -0.728 60.500 61.300 -0.120 0.000 1.196 447 I CB 0.206 38.036 38.000 -0.282 0.000 1.427 447 I HN -0.089 nan 8.210 nan 0.000 0.503 448 N N 1.708 120.346 118.700 -0.103 0.000 2.515 448 N HA 0.228 4.968 4.740 -0.000 0.000 0.279 448 N C 0.797 176.261 175.510 -0.076 0.000 1.164 448 N CA -0.490 52.519 53.050 -0.068 0.000 0.982 448 N CB 1.063 39.499 38.487 -0.086 0.000 1.170 448 N HN 0.346 nan 8.380 nan 0.000 0.474 449 T N -2.446 112.090 114.554 -0.029 0.000 3.134 449 T HA 0.121 4.471 4.350 -0.000 0.000 0.260 449 T C 1.162 175.837 174.700 -0.041 0.000 1.027 449 T CA -0.270 61.822 62.100 -0.014 0.000 0.913 449 T CB -0.334 68.552 68.868 0.030 0.000 1.046 449 T HN 0.743 nan 8.240 nan 0.000 0.553 450 R N 1.778 122.235 120.500 -0.072 0.000 2.175 450 R HA 0.157 4.497 4.340 -0.000 0.000 0.202 450 R C 0.835 177.057 176.300 -0.130 0.000 1.018 450 R CA 1.103 57.156 56.100 -0.078 0.000 1.029 450 R CB -0.134 30.130 30.300 -0.060 0.000 0.959 450 R HN 0.484 nan 8.270 nan 0.000 0.480 451 N N -0.780 117.780 118.700 -0.232 0.000 2.160 451 N HA 0.105 4.845 4.740 -0.000 0.000 0.226 451 N C -0.908 174.450 175.510 -0.253 0.000 1.256 451 N CA -0.543 52.317 53.050 -0.316 0.000 0.890 451 N CB 0.332 38.371 38.487 -0.747 0.000 1.116 451 N HN -0.009 nan 8.380 nan 0.000 0.517 452 N N 0.873 119.463 118.700 -0.184 0.000 2.469 452 N HA 0.375 5.115 4.740 -0.000 0.000 0.253 452 N C 0.700 176.166 175.510 -0.072 0.000 0.970 452 N CA 0.453 53.430 53.050 -0.122 0.000 0.940 452 N CB 1.452 39.852 38.487 -0.145 0.000 1.128 452 N HN 0.435 nan 8.380 nan 0.000 0.503 453 G N 2.475 111.250 108.800 -0.042 0.000 2.205 453 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.261 453 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.261 453 G C 1.016 175.908 174.900 -0.015 0.000 0.980 453 G CA 0.804 45.890 45.100 -0.023 0.000 0.632 453 G HN 0.693 nan 8.290 nan 0.000 0.533 454 E N 0.262 120.449 120.200 -0.021 0.000 2.169 454 E HA -0.232 4.117 4.350 -0.000 0.000 0.202 454 E C 1.659 178.258 176.600 -0.002 0.000 1.016 454 E CA 1.428 57.819 56.400 -0.014 0.000 0.817 454 E CB -0.346 29.344 29.700 -0.015 0.000 0.736 454 E HN 0.707 nan 8.360 nan 0.000 0.462 455 R N 0.828 121.330 120.500 0.004 0.000 3.135 455 R HA 0.641 4.981 4.340 -0.000 0.000 0.343 455 R C -0.761 175.542 176.300 0.006 0.000 1.227 455 R CA -0.073 56.031 56.100 0.007 0.000 1.227 455 R CB 1.142 31.450 30.300 0.012 0.000 1.436 455 R HN 0.096 nan 8.270 nan 0.000 0.595 456 A N 0.367 123.189 122.820 0.003 0.000 2.459 456 A HA 0.407 4.727 4.320 -0.000 0.000 0.296 456 A C -0.549 177.036 177.584 0.001 0.000 1.039 456 A CA -0.593 51.445 52.037 0.003 0.000 0.698 456 A CB 1.925 20.926 19.000 0.003 0.000 1.261 456 A HN 0.155 nan 8.150 nan 0.000 0.405 457 S N 0.857 116.557 115.700 0.001 0.000 2.509 457 S HA 0.235 4.705 4.470 -0.000 0.000 0.287 457 S C 0.625 175.226 174.600 0.002 0.000 1.248 457 S CA -0.192 58.009 58.200 0.001 0.000 1.089 457 S CB -0.450 62.750 63.200 0.000 0.000 0.900 457 S HN 0.763 nan 8.310 nan 0.000 0.496 458 c N 3.615 122.216 118.600 0.002 0.000 2.680 458 c HA 0.711 5.281 4.570 -0.000 0.000 0.083 458 c C 1.149 175.240 174.090 0.003 0.000 2.335 458 c CA 0.911 57.243 56.329 0.004 0.000 1.532 458 c CB -0.689 41.824 42.510 0.005 0.000 2.431 458 c HN 1.085 nan 8.230 nan 0.000 0.331 468 E N -0.536 119.664 120.200 -0.000 0.000 1.964 468 E HA 0.041 4.391 4.350 -0.000 0.000 0.242 468 E C 1.301 177.899 176.600 -0.005 0.000 1.079 468 E CA 0.736 57.135 56.400 -0.002 0.000 1.600 468 E CB -0.413 29.289 29.700 0.003 0.000 3.831 468 E HN 0.358 nan 8.360 nan 0.000 0.963 469 Q N 0.554 120.353 119.800 -0.001 0.000 2.247 469 Q HA 0.229 4.569 4.340 -0.000 0.000 0.211 469 Q C 0.221 176.222 176.000 0.002 0.000 0.861 469 Q CA 0.047 55.850 55.803 0.000 0.000 0.949 469 Q CB 0.782 29.522 28.738 0.002 0.000 1.115 469 Q HN 0.410 nan 8.270 nan 0.000 0.507 470 K N -0.075 120.327 120.400 0.002 0.000 2.106 470 K HA 0.248 4.568 4.320 -0.000 0.000 0.246 470 K C 0.233 176.836 176.600 0.005 0.000 0.987 470 K CA -0.672 55.621 56.287 0.009 0.000 0.904 470 K CB 1.294 33.803 32.500 0.014 0.000 1.071 470 K HN -0.159 nan 8.250 nan 0.000 0.453 471 L N 0.518 121.755 121.223 0.022 0.000 2.253 471 L HA 0.340 4.680 4.340 -0.000 0.000 0.205 471 L C 0.936 177.833 176.870 0.045 0.000 1.078 471 L CA 0.930 55.789 54.840 0.032 0.000 0.805 471 L CB -0.528 41.568 42.059 0.060 0.000 0.963 471 L HN 0.694 nan 8.230 nan 0.000 0.459 472 I N -1.754 118.860 120.570 0.074 0.000 3.006 472 I HA 0.508 4.678 4.170 -0.000 0.000 0.306 472 I C -0.869 175.299 176.117 0.086 0.000 1.250 472 I CA -0.261 61.113 61.300 0.123 0.000 0.996 472 I CB 2.219 40.365 38.000 0.243 0.000 1.261 472 I HN 0.071 nan 8.210 nan 0.000 0.442 473 S N 2.693 118.449 115.700 0.093 0.000 2.672 473 S HA 0.341 4.811 4.470 -0.000 0.000 0.271 473 S C 0.235 174.883 174.600 0.079 0.000 1.171 473 S CA 0.060 58.301 58.200 0.069 0.000 0.817 473 S CB 1.349 64.576 63.200 0.045 0.000 1.150 473 S HN 0.822 nan 8.310 nan 0.000 0.478 474 E N 0.785 121.022 120.200 0.062 0.000 2.110 474 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 474 E C 1.526 178.167 176.600 0.067 0.000 0.988 474 E CA 1.421 57.857 56.400 0.060 0.000 0.804 474 E CB -0.450 29.277 29.700 0.046 0.000 0.745 474 E HN 0.727 nan 8.360 nan 0.000 0.458 475 E N 1.071 121.310 120.200 0.065 0.000 2.169 475 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 475 E C 1.035 177.697 176.600 0.102 0.000 1.016 475 E CA 1.834 58.279 56.400 0.074 0.000 0.817 475 E CB -0.102 29.634 29.700 0.060 0.000 0.736 475 E HN 0.332 nan 8.360 nan 0.000 0.462 476 D N -0.745 119.729 120.400 0.123 0.000 2.355 476 D HA -0.048 4.592 4.640 -0.000 0.000 0.218 476 D C 1.160 177.562 176.300 0.170 0.000 1.004 476 D CA 0.258 54.370 54.000 0.187 0.000 0.880 476 D CB 0.190 41.149 40.800 0.265 0.000 0.911 476 D HN 0.226 nan 8.370 nan 0.000 0.528 477 L N 0.450 121.743 121.223 0.116 0.000 2.558 477 L HA 0.091 4.431 4.340 -0.000 0.000 0.225 477 L C 0.847 177.756 176.870 0.066 0.000 1.128 477 L CA 0.267 55.160 54.840 0.088 0.000 0.868 477 L CB -0.279 41.822 42.059 0.069 0.000 1.006 477 L HN -0.139 nan 8.230 nan 0.000 0.454 478 N N 0.000 118.741 118.700 0.068 0.000 1.763 478 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 478 N CA 0.000 53.079 53.050 0.049 0.000 0.885 478 N CB 0.000 38.522 38.487 0.058 0.000 1.341 478 N HN 0.000 nan 8.380 nan 0.000 0.667