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 1kw2_1_B DATA FIRST_RESID 22 DATA SEQUENCE DYEKNKVcKE FSHLGKEDFT SLSLVLYSRK FPSGTFEQVS QLVKEVVSLT DATA SEQUENCE EAccAEGADP DcYDTRTSAL SAKScESNSP FPVHPGTAEc cTKEGLERKL DATA SEQUENCE cMAALKHQPQ EFPTYVEPTN DEIcEAFRKD PKEYANQFMW EYSTNYGQAP DATA SEQUENCE LSLLVSYTKS YLSMVGSccT SASPTVcFLK ERLQLKHLSL LTTLSNRVcS DATA SEQUENCE QYAAYGEKKS RLSNLIKLAQ KVPTADLEDV LPLAEDITNI LSKccESASE DATA SEQUENCE DcMAKELPEH TVKLcDNLST KNSKFEDccQ EKTAMDVFVc TYFMPAAQLP DATA SEQUENCE ELPDVELPTN KDVcDPGNTK VMDKYTFELS RRTHLPEVFL SKVLEPTLKS DATA SEQUENCE LGEccDVEDS TTcFNAKGPL LKKELSSFID KGQELcADYS ENTFTEYKKK DATA SEQUENCE LAERLKAKLP DATPKELAKL VNKRSDFASN ccSINSPPLY cDSEIDAELK DATA SEQUENCE NIL 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 22 D HA 0.000 nan 4.640 nan 0.000 0.175 22 D C 0.000 176.268 176.300 -0.054 0.000 2.045 22 D CA 0.000 54.012 54.000 0.020 0.000 0.868 22 D CB 0.000 40.847 40.800 0.078 0.000 0.688 23 Y N 1.878 122.143 120.300 -0.058 0.000 2.173 23 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 23 Y C 1.975 177.827 175.900 -0.080 0.000 1.192 23 Y CA 2.659 60.726 58.100 -0.056 0.000 1.176 23 Y CB -0.065 38.379 38.460 -0.027 0.000 0.969 23 Y HN 0.297 nan 8.280 nan 0.000 0.519 24 E N 0.048 120.081 120.200 -0.278 0.000 2.085 24 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 24 E C 2.436 178.819 176.600 -0.361 0.000 0.994 24 E CA 2.096 58.289 56.400 -0.344 0.000 0.801 24 E CB -0.211 29.408 29.700 -0.136 0.000 0.743 24 E HN 0.548 nan 8.360 nan 0.000 0.453 25 K N 1.194 121.333 120.400 -0.435 0.000 2.103 25 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 25 K C 1.670 178.061 176.600 -0.348 0.000 1.048 25 K CA 1.784 57.742 56.287 -0.548 0.000 0.930 25 K CB -1.042 30.689 32.500 -1.280 0.000 0.716 25 K HN 0.213 nan 8.250 nan 0.000 0.444 26 N N 0.048 118.558 118.700 -0.316 0.000 2.106 26 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 26 N C 1.945 177.330 175.510 -0.208 0.000 1.029 26 N CA 1.565 54.492 53.050 -0.205 0.000 0.848 26 N CB -0.174 38.230 38.487 -0.139 0.000 1.007 26 N HN 0.628 nan 8.380 nan 0.000 0.423 27 K N 1.368 121.555 120.400 -0.357 0.000 2.103 27 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 27 K C 1.849 178.396 176.600 -0.088 0.000 1.048 27 K CA 0.968 57.095 56.287 -0.266 0.000 0.930 27 K CB 0.125 32.380 32.500 -0.409 0.000 0.716 27 K HN -0.084 nan 8.250 nan 0.000 0.444 28 V N 0.650 120.513 119.914 -0.085 0.000 2.239 28 V HA -0.297 3.823 4.120 -0.000 0.000 0.242 28 V C 2.514 178.612 176.094 0.007 0.000 1.038 28 V CA 1.726 64.049 62.300 0.038 0.000 1.002 28 V CB -0.714 31.119 31.823 0.017 0.000 0.641 28 V HN 0.490 nan 8.190 nan 0.000 0.449 29 c N -0.029 118.532 118.600 -0.065 0.000 2.396 29 c HA -0.245 4.325 4.570 -0.000 0.000 0.277 29 c C 2.852 176.969 174.090 0.044 0.000 1.231 29 c CA 1.894 58.201 56.329 -0.037 0.000 1.775 29 c CB -1.030 41.453 42.510 -0.046 0.000 2.036 29 c HN 0.609 nan 8.230 nan 0.000 0.484 30 K N 0.394 120.810 120.400 0.027 0.000 2.031 30 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 30 K C 2.025 178.695 176.600 0.117 0.000 1.049 30 K CA 1.200 57.516 56.287 0.048 0.000 0.939 30 K CB -0.088 32.415 32.500 0.004 0.000 0.717 30 K HN 0.369 nan 8.250 nan 0.000 0.438 31 E N 0.254 120.547 120.200 0.154 0.000 2.150 31 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 31 E C 1.739 178.486 176.600 0.245 0.000 0.985 31 E CA 0.735 57.293 56.400 0.263 0.000 0.814 31 E CB -0.315 29.572 29.700 0.313 0.000 0.752 31 E HN 0.302 nan 8.360 nan 0.000 0.466 32 F N 2.489 122.386 119.950 -0.087 0.000 2.046 32 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 32 F C 2.469 178.196 175.800 -0.120 0.000 1.123 32 F CA 2.096 59.878 58.000 -0.363 0.000 1.199 32 F CB -0.549 38.063 39.000 -0.647 0.000 0.972 32 F HN 0.007 nan 8.300 nan 0.000 0.474 33 S N -1.840 113.809 115.700 -0.086 0.000 2.515 33 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 33 S C 1.763 176.345 174.600 -0.030 0.000 0.987 33 S CA 1.077 59.200 58.200 -0.128 0.000 0.936 33 S CB -0.852 62.357 63.200 0.015 0.000 0.766 33 S HN 0.706 nan 8.310 nan 0.000 0.528 34 H N 1.073 120.104 119.070 -0.065 0.000 2.451 34 H HA 0.390 4.946 4.556 -0.000 0.000 0.294 34 H C 1.545 176.860 175.328 -0.021 0.000 1.028 34 H CA 1.008 57.041 56.048 -0.025 0.000 1.349 34 H CB -0.186 29.584 29.762 0.015 0.000 1.444 34 H HN 0.353 nan 8.280 nan 0.000 0.538 35 L N -0.719 120.421 121.223 -0.138 0.000 2.354 35 L HA 0.305 4.645 4.340 -0.000 0.000 0.212 35 L C 0.770 177.562 176.870 -0.129 0.000 1.091 35 L CA 0.283 55.031 54.840 -0.154 0.000 0.828 35 L CB -0.042 42.046 42.059 0.047 0.000 0.973 35 L HN 0.525 nan 8.230 nan 0.000 0.461 36 G N 0.606 109.280 108.800 -0.211 0.000 2.675 36 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.686 36 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.686 36 G C 0.147 174.893 174.900 -0.257 0.000 1.215 36 G CA 0.013 44.950 45.100 -0.272 0.000 0.777 36 G HN 0.083 nan 8.290 nan 0.000 0.638 37 K N 0.016 120.223 120.400 -0.321 0.000 2.063 37 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 37 K C 2.196 178.880 176.600 0.141 0.000 1.048 37 K CA 2.211 58.466 56.287 -0.053 0.000 0.928 37 K CB -0.131 32.388 32.500 0.032 0.000 0.713 37 K HN 0.633 nan 8.250 nan 0.000 0.442 38 E N 0.197 120.436 120.200 0.064 0.000 2.047 38 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 38 E C 1.468 178.125 176.600 0.095 0.000 0.987 38 E CA 1.589 58.039 56.400 0.083 0.000 0.799 38 E CB 0.092 29.822 29.700 0.050 0.000 0.752 38 E HN 0.323 nan 8.360 nan 0.000 0.449 39 D N -0.094 120.350 120.400 0.073 0.000 2.144 39 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 39 D C 1.697 178.064 176.300 0.111 0.000 0.978 39 D CA 0.614 54.655 54.000 0.069 0.000 0.833 39 D CB -0.270 40.547 40.800 0.028 0.000 0.961 39 D HN 0.214 nan 8.370 nan 0.000 0.470 40 F N 1.873 121.844 119.950 0.034 0.000 2.171 40 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 40 F C 2.214 178.091 175.800 0.129 0.000 1.090 40 F CA 1.230 59.294 58.000 0.107 0.000 1.293 40 F CB -0.273 38.849 39.000 0.203 0.000 1.013 40 F HN -0.176 nan 8.300 nan 0.000 0.486 41 T N -0.759 113.882 114.554 0.145 0.000 2.904 41 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 41 T C 2.183 176.879 174.700 -0.005 0.000 1.059 41 T CA 1.454 63.586 62.100 0.053 0.000 1.137 41 T CB -0.294 68.655 68.868 0.135 0.000 0.879 41 T HN 0.229 nan 8.240 nan 0.000 0.467 42 S N 1.509 117.226 115.700 0.028 0.000 2.355 42 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 42 S C 1.947 176.553 174.600 0.009 0.000 1.031 42 S CA 0.622 58.848 58.200 0.044 0.000 0.993 42 S CB -0.486 62.754 63.200 0.065 0.000 0.859 42 S HN 0.306 nan 8.310 nan 0.000 0.453 43 L N 2.040 123.240 121.223 -0.039 0.000 2.042 43 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 43 L C 2.087 178.908 176.870 -0.082 0.000 1.076 43 L CA 1.795 56.599 54.840 -0.059 0.000 0.749 43 L CB -1.052 40.956 42.059 -0.084 0.000 0.893 43 L HN 0.138 nan 8.230 nan 0.000 0.432 44 S N -0.489 115.098 115.700 -0.189 0.000 2.368 44 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 44 S C 1.811 176.486 174.600 0.125 0.000 1.029 44 S CA 1.375 59.531 58.200 -0.073 0.000 0.988 44 S CB -0.565 62.471 63.200 -0.273 0.000 0.838 44 S HN 0.479 nan 8.310 nan 0.000 0.462 45 L N 1.952 123.214 121.223 0.064 0.000 2.042 45 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 45 L C 2.168 179.141 176.870 0.171 0.000 1.076 45 L CA 1.624 56.544 54.840 0.134 0.000 0.749 45 L CB -0.742 41.396 42.059 0.132 0.000 0.893 45 L HN 0.128 nan 8.230 nan 0.000 0.432 46 V N -0.742 119.236 119.914 0.107 0.000 2.343 46 V HA -0.263 3.856 4.120 -0.000 0.000 0.247 46 V C 2.488 178.624 176.094 0.071 0.000 1.051 46 V CA 1.641 63.986 62.300 0.075 0.000 1.036 46 V CB -0.621 31.227 31.823 0.041 0.000 0.654 46 V HN 0.463 nan 8.190 nan 0.000 0.451 47 L N -0.634 120.629 121.223 0.066 0.000 1.989 47 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 47 L C 2.273 179.121 176.870 -0.036 0.000 1.071 47 L CA 2.217 57.048 54.840 -0.015 0.000 0.749 47 L CB -0.709 41.321 42.059 -0.049 0.000 0.890 47 L HN 0.369 nan 8.230 nan 0.000 0.431 48 Y N -1.334 119.019 120.300 0.089 0.000 2.516 48 Y HA -0.052 4.498 4.550 -0.000 0.000 0.291 48 Y C 2.646 178.721 175.900 0.292 0.000 1.131 48 Y CA 1.012 59.240 58.100 0.214 0.000 1.281 48 Y CB -0.524 38.034 38.460 0.163 0.000 1.013 48 Y HN 0.162 nan 8.280 nan 0.000 0.554 49 S N 0.208 116.097 115.700 0.315 0.000 2.368 49 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 49 S C 2.071 176.757 174.600 0.143 0.000 1.029 49 S CA 1.322 59.672 58.200 0.249 0.000 0.988 49 S CB -0.190 63.093 63.200 0.139 0.000 0.838 49 S HN 0.565 nan 8.310 nan 0.000 0.462 50 R N 1.333 121.877 120.500 0.073 0.000 2.235 50 R HA 0.141 4.481 4.340 -0.000 0.000 0.213 50 R C 1.654 178.000 176.300 0.077 0.000 1.059 50 R CA 0.900 57.019 56.100 0.032 0.000 0.997 50 R CB -0.225 30.054 30.300 -0.036 0.000 0.884 50 R HN 0.246 nan 8.270 nan 0.000 0.462 51 K N 0.236 120.672 120.400 0.060 0.000 2.186 51 K HA 0.059 4.379 4.320 -0.000 0.000 0.202 51 K C -0.195 176.421 176.600 0.027 0.000 1.052 51 K CA 0.776 57.042 56.287 -0.035 0.000 0.965 51 K CB 0.247 32.640 32.500 -0.177 0.000 0.746 51 K HN 0.100 nan 8.250 nan 0.000 0.457 52 F N 1.391 121.480 119.950 0.232 0.000 2.471 52 F HA 0.217 4.744 4.527 -0.000 0.000 0.318 52 F C -1.748 174.129 175.800 0.127 0.000 1.308 52 F CA -2.236 55.860 58.000 0.160 0.000 1.162 52 F CB 1.184 40.239 39.000 0.092 0.000 1.383 52 F HN -0.083 nan 8.300 nan 0.000 0.552 53 P HA -0.166 nan 4.420 nan 0.000 0.218 53 P C 1.133 178.472 177.300 0.065 0.000 1.146 53 P CA 1.301 64.433 63.100 0.052 0.000 0.813 53 P CB 0.410 32.092 31.700 -0.031 0.000 0.778 54 S N -0.942 114.839 115.700 0.135 0.000 2.575 54 S HA 0.208 4.677 4.470 -0.000 0.000 0.215 54 S C 1.325 176.062 174.600 0.229 0.000 0.966 54 S CA -0.025 58.264 58.200 0.147 0.000 0.911 54 S CB -0.346 62.926 63.200 0.121 0.000 0.780 54 S HN 0.265 nan 8.310 nan 0.000 0.514 55 G N 2.701 111.687 108.800 0.309 0.000 2.441 55 G HA2 0.344 4.304 3.960 -0.000 0.000 0.243 55 G HA3 0.344 4.304 3.960 -0.000 0.000 0.243 55 G C 0.314 175.489 174.900 0.458 0.000 1.281 55 G CA -0.248 45.042 45.100 0.318 0.000 0.854 55 G HN 0.335 nan 8.290 nan 0.000 0.560 56 T N -0.004 114.714 114.554 0.274 0.000 2.813 56 T HA 0.152 4.502 4.350 -0.000 0.000 0.297 56 T C 1.287 175.916 174.700 -0.119 0.000 1.036 56 T CA -0.403 61.819 62.100 0.204 0.000 1.044 56 T CB 0.780 69.676 68.868 0.047 0.000 0.993 56 T HN 0.431 nan 8.240 nan 0.000 0.535 57 F N 0.716 120.054 119.950 -1.021 0.000 2.126 57 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 57 F C 2.535 177.926 175.800 -0.682 0.000 1.096 57 F CA 1.821 58.846 58.000 -1.624 0.000 1.255 57 F CB -0.044 38.043 39.000 -1.523 0.000 0.997 57 F HN 0.797 nan 8.300 nan 0.000 0.479 58 E N 0.682 120.571 120.200 -0.518 0.000 2.051 58 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 58 E C 2.050 178.470 176.600 -0.300 0.000 0.991 58 E CA 1.934 58.067 56.400 -0.444 0.000 0.799 58 E CB -0.403 29.146 29.700 -0.253 0.000 0.748 58 E HN 0.575 nan 8.360 nan 0.000 0.449 59 Q N -0.311 119.377 119.800 -0.187 0.000 2.030 59 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 59 Q C 2.351 178.245 176.000 -0.176 0.000 0.986 59 Q CA 1.941 57.677 55.803 -0.111 0.000 0.843 59 Q CB -0.214 28.488 28.738 -0.060 0.000 0.904 59 Q HN 0.214 nan 8.270 nan 0.000 0.420 60 V N 0.705 120.522 119.914 -0.161 0.000 2.343 60 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 60 V C 2.208 178.187 176.094 -0.192 0.000 1.051 60 V CA 1.966 64.192 62.300 -0.124 0.000 1.036 60 V CB -0.626 31.297 31.823 0.166 0.000 0.654 60 V HN 0.293 nan 8.190 nan 0.000 0.451 61 S N -0.963 114.571 115.700 -0.278 0.000 2.382 61 S HA -0.225 4.245 4.470 -0.000 0.000 0.228 61 S C 2.033 176.487 174.600 -0.245 0.000 1.027 61 S CA 1.186 59.205 58.200 -0.302 0.000 0.991 61 S CB -0.288 62.577 63.200 -0.560 0.000 0.823 61 S HN 0.533 nan 8.310 nan 0.000 0.469 62 Q N 0.718 120.385 119.800 -0.223 0.000 1.990 62 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 62 Q C 2.364 178.202 176.000 -0.271 0.000 0.980 62 Q CA 0.969 56.697 55.803 -0.126 0.000 0.832 62 Q CB -0.949 27.818 28.738 0.048 0.000 0.897 62 Q HN 0.460 nan 8.270 nan 0.000 0.427 63 L N 0.445 121.332 121.223 -0.560 0.000 1.990 63 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 63 L C 2.279 178.741 176.870 -0.680 0.000 1.072 63 L CA 1.668 55.892 54.840 -1.026 0.000 0.755 63 L CB -0.892 40.569 42.059 -0.997 0.000 0.889 63 L HN 0.005 nan 8.230 nan 0.000 0.432 64 V N 0.112 119.713 119.914 -0.522 0.000 2.332 64 V HA -0.360 3.760 4.120 -0.000 0.000 0.248 64 V C 2.662 178.608 176.094 -0.247 0.000 1.055 64 V CA 2.227 64.275 62.300 -0.419 0.000 1.038 64 V CB -0.914 30.764 31.823 -0.242 0.000 0.651 64 V HN 0.605 nan 8.190 nan 0.000 0.450 65 K N 0.337 120.622 120.400 -0.192 0.000 2.001 65 K HA -0.271 4.049 4.320 -0.000 0.000 0.214 65 K C 2.120 178.672 176.600 -0.080 0.000 1.050 65 K CA 2.349 58.578 56.287 -0.098 0.000 0.934 65 K CB -0.230 32.222 32.500 -0.080 0.000 0.718 65 K HN 0.592 nan 8.250 nan 0.000 0.443 66 E N 0.065 120.196 120.200 -0.115 0.000 2.152 66 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 66 E C 2.047 178.591 176.600 -0.094 0.000 0.983 66 E CA 1.025 57.387 56.400 -0.063 0.000 0.818 66 E CB 0.108 29.824 29.700 0.026 0.000 0.758 66 E HN 0.135 nan 8.360 nan 0.000 0.467 67 V N 1.148 120.944 119.914 -0.197 0.000 2.332 67 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 67 V C 2.353 178.438 176.094 -0.014 0.000 1.055 67 V CA 1.355 63.563 62.300 -0.153 0.000 1.038 67 V CB -0.377 31.241 31.823 -0.342 0.000 0.651 67 V HN 0.132 nan 8.190 nan 0.000 0.450 68 V N -0.398 119.534 119.914 0.030 0.000 2.343 68 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 68 V C 2.666 178.758 176.094 -0.004 0.000 1.051 68 V CA 2.227 64.628 62.300 0.168 0.000 1.036 68 V CB -0.760 31.207 31.823 0.240 0.000 0.654 68 V HN 0.633 nan 8.190 nan 0.000 0.451 69 S N -0.262 115.432 115.700 -0.012 0.000 2.392 69 S HA -0.210 4.260 4.470 -0.000 0.000 0.232 69 S C 1.848 176.402 174.600 -0.077 0.000 1.041 69 S CA 1.961 60.141 58.200 -0.033 0.000 1.026 69 S CB -0.326 62.867 63.200 -0.011 0.000 0.845 69 S HN 0.511 nan 8.310 nan 0.000 0.465 70 L N 0.298 121.481 121.223 -0.067 0.000 1.961 70 L HA -0.083 4.256 4.340 -0.000 0.000 0.209 70 L C 2.810 179.585 176.870 -0.159 0.000 1.075 70 L CA 1.822 56.621 54.840 -0.068 0.000 0.749 70 L CB -1.782 40.268 42.059 -0.015 0.000 0.890 70 L HN 0.282 nan 8.230 nan 0.000 0.433 71 T N -0.554 113.867 114.554 -0.222 0.000 2.594 71 T HA -0.346 4.004 4.350 -0.000 0.000 0.266 71 T C 1.615 175.857 174.700 -0.764 0.000 1.070 71 T CA 2.148 63.971 62.100 -0.461 0.000 1.166 71 T CB -0.397 68.087 68.868 -0.641 0.000 0.862 71 T HN 0.406 nan 8.240 nan 0.000 0.436 72 E N 0.921 120.530 120.200 -0.985 0.000 2.002 72 E HA -0.218 4.131 4.350 -0.000 0.000 0.213 72 E C 2.479 178.897 176.600 -0.304 0.000 1.024 72 E CA 1.271 57.160 56.400 -0.852 0.000 0.876 72 E CB -0.400 29.113 29.700 -0.311 0.000 0.799 72 E HN 0.431 nan 8.360 nan 0.000 0.497 73 A N -0.035 122.690 122.820 -0.160 0.000 2.084 73 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 73 A C 2.023 179.566 177.584 -0.068 0.000 1.161 73 A CA 1.503 53.496 52.037 -0.072 0.000 0.653 73 A CB -0.533 18.439 19.000 -0.046 0.000 0.802 73 A HN 0.499 nan 8.150 nan 0.000 0.457 74 c N -2.057 116.481 118.600 -0.102 0.000 2.492 74 c HA 0.376 4.946 4.570 -0.000 0.000 0.317 74 c C 1.241 175.312 174.090 -0.033 0.000 1.347 74 c CA -0.307 55.995 56.329 -0.046 0.000 1.759 74 c CB -1.755 40.747 42.510 -0.014 0.000 2.127 74 c HN 0.699 nan 8.230 nan 0.000 0.579 75 c N -0.295 118.265 118.600 -0.066 0.000 3.911 75 c HA 0.433 5.003 4.570 -0.000 0.000 0.318 75 c C 1.689 175.790 174.090 0.019 0.000 1.643 75 c CA -0.254 56.057 56.329 -0.031 0.000 1.845 75 c CB -1.376 41.082 42.510 -0.087 0.000 2.981 75 c HN 0.690 nan 8.230 nan 0.000 0.656 76 A N 0.946 123.774 122.820 0.014 0.000 2.251 76 A HA 0.415 4.735 4.320 -0.000 0.000 0.278 76 A C 0.226 177.825 177.584 0.026 0.000 1.206 76 A CA -0.032 52.025 52.037 0.032 0.000 0.822 76 A CB -0.060 18.956 19.000 0.027 0.000 1.187 76 A HN 0.572 nan 8.150 nan 0.000 0.504 77 E N 0.041 120.256 120.200 0.025 0.000 2.452 77 E HA 0.297 4.646 4.350 -0.000 0.000 0.261 77 E C 0.783 177.393 176.600 0.016 0.000 0.987 77 E CA 0.409 56.821 56.400 0.021 0.000 0.926 77 E CB -0.028 29.683 29.700 0.018 0.000 0.934 77 E HN 1.268 nan 8.360 nan 0.000 0.452 78 G N 3.057 111.867 108.800 0.017 0.000 2.557 78 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.299 78 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.299 78 G C -0.196 174.707 174.900 0.006 0.000 0.146 78 G CA 0.549 45.657 45.100 0.013 0.000 1.150 78 G HN 0.691 nan 8.290 nan 0.000 0.532 79 A N 2.814 125.637 122.820 0.004 0.000 2.423 79 A HA 0.697 5.017 4.320 -0.000 0.000 0.304 79 A C 0.269 177.839 177.584 -0.024 0.000 1.104 79 A CA -0.416 51.615 52.037 -0.009 0.000 0.757 79 A CB 1.114 20.109 19.000 -0.008 0.000 1.313 79 A HN 0.719 nan 8.150 nan 0.000 0.423 80 D N 1.367 121.745 120.400 -0.037 0.000 2.854 80 D HA -0.020 4.620 4.640 -0.000 0.000 0.243 80 D C -1.412 174.829 176.300 -0.098 0.000 1.243 80 D CA -0.329 53.636 54.000 -0.058 0.000 0.883 80 D CB 0.555 41.319 40.800 -0.059 0.000 1.145 80 D HN 0.101 nan 8.370 nan 0.000 0.555 81 P HA -0.086 nan 4.420 nan 0.000 0.231 81 P C 0.109 177.224 177.300 -0.308 0.000 1.154 81 P CA 0.786 63.802 63.100 -0.141 0.000 0.762 81 P CB 0.276 31.937 31.700 -0.064 0.000 0.790 82 D N -2.703 117.536 120.400 -0.267 0.000 2.440 82 D HA 0.022 4.662 4.640 -0.000 0.000 0.216 82 D C 1.467 177.581 176.300 -0.311 0.000 1.150 82 D CA -0.068 53.751 54.000 -0.302 0.000 0.832 82 D CB -0.431 40.276 40.800 -0.155 0.000 0.992 82 D HN 0.167 nan 8.370 nan 0.000 0.502 83 c N 1.154 119.567 118.600 -0.311 0.000 2.455 83 c HA -0.203 4.367 4.570 -0.000 0.000 0.281 83 c C 2.419 176.428 174.090 -0.135 0.000 1.237 83 c CA 0.877 57.099 56.329 -0.177 0.000 1.726 83 c CB -1.397 41.054 42.510 -0.098 0.000 2.068 83 c HN 0.486 nan 8.230 nan 0.000 0.466 84 Y N 1.200 121.494 120.300 -0.009 0.000 2.715 84 Y HA 0.202 4.751 4.550 -0.000 0.000 0.332 84 Y C 1.316 177.224 175.900 0.014 0.000 1.213 84 Y CA 0.946 59.044 58.100 -0.003 0.000 1.304 84 Y CB -1.288 37.166 38.460 -0.010 0.000 1.041 84 Y HN 0.554 nan 8.280 nan 0.000 0.502 85 D N -1.858 118.524 120.400 -0.030 0.000 2.401 85 D HA 0.040 4.679 4.640 -0.000 0.000 0.269 85 D C 1.430 177.727 176.300 -0.005 0.000 1.117 85 D CA 0.872 54.882 54.000 0.016 0.000 0.829 85 D CB 0.303 41.067 40.800 -0.061 0.000 1.350 85 D HN 0.167 nan 8.370 nan 0.000 0.529 86 T N -0.812 113.718 114.554 -0.040 0.000 3.053 86 T HA 0.158 4.508 4.350 -0.000 0.000 0.236 86 T C 1.804 176.507 174.700 0.005 0.000 0.996 86 T CA 0.329 62.416 62.100 -0.022 0.000 1.185 86 T CB 0.177 69.017 68.868 -0.047 0.000 0.892 86 T HN -0.049 nan 8.240 nan 0.000 0.432 87 R N 1.313 121.815 120.500 0.003 0.000 2.096 87 R HA -0.071 4.268 4.340 -0.000 0.000 0.235 87 R C 2.803 179.134 176.300 0.051 0.000 1.127 87 R CA 1.858 57.972 56.100 0.022 0.000 0.968 87 R CB -0.714 29.594 30.300 0.013 0.000 0.861 87 R HN 0.522 nan 8.270 nan 0.000 0.440 88 T N -2.023 112.571 114.554 0.066 0.000 2.867 88 T HA -0.105 4.244 4.350 -0.000 0.000 0.268 88 T C 2.017 176.772 174.700 0.092 0.000 1.057 88 T CA 1.524 63.678 62.100 0.091 0.000 1.136 88 T CB -0.192 68.748 68.868 0.119 0.000 0.874 88 T HN 0.093 nan 8.240 nan 0.000 0.466 89 S N 0.925 116.669 115.700 0.073 0.000 2.453 89 S HA 0.208 4.677 4.470 -0.000 0.000 0.231 89 S C 2.300 176.938 174.600 0.064 0.000 1.005 89 S CA 0.801 59.041 58.200 0.067 0.000 0.949 89 S CB -0.737 62.491 63.200 0.046 0.000 0.774 89 S HN 0.718 nan 8.310 nan 0.000 0.510 90 A N 1.072 123.928 122.820 0.059 0.000 2.014 90 A HA 0.197 4.517 4.320 -0.000 0.000 0.218 90 A C 2.066 179.702 177.584 0.087 0.000 1.163 90 A CA 0.720 52.790 52.037 0.054 0.000 0.652 90 A CB -0.457 18.567 19.000 0.040 0.000 0.808 90 A HN 0.551 nan 8.150 nan 0.000 0.449 91 L N -0.624 120.678 121.223 0.131 0.000 2.005 91 L HA -0.144 4.195 4.340 -0.000 0.000 0.207 91 L C 2.871 179.873 176.870 0.219 0.000 1.072 91 L CA 1.512 56.493 54.840 0.234 0.000 0.744 91 L CB -0.679 41.502 42.059 0.202 0.000 0.895 91 L HN 0.317 nan 8.230 nan 0.000 0.433 92 S N 0.250 116.049 115.700 0.165 0.000 2.380 92 S HA -0.274 4.196 4.470 -0.000 0.000 0.229 92 S C 2.166 176.832 174.600 0.109 0.000 1.043 92 S CA 1.447 59.737 58.200 0.150 0.000 1.038 92 S CB -0.465 62.809 63.200 0.123 0.000 0.872 92 S HN 0.515 nan 8.310 nan 0.000 0.456 93 A N 1.470 124.336 122.820 0.078 0.000 1.883 93 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 93 A C 2.055 179.645 177.584 0.009 0.000 1.186 93 A CA 1.955 54.016 52.037 0.040 0.000 0.624 93 A CB -0.556 18.460 19.000 0.027 0.000 0.822 93 A HN 0.482 nan 8.150 nan 0.000 0.444 94 K N -0.162 120.235 120.400 -0.006 0.000 2.148 94 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 94 K C 1.718 178.225 176.600 -0.155 0.000 1.050 94 K CA 1.275 57.485 56.287 -0.129 0.000 0.942 94 K CB -0.134 32.226 32.500 -0.234 0.000 0.724 94 K HN 0.411 nan 8.250 nan 0.000 0.446 95 S N -0.107 115.602 115.700 0.016 0.000 2.595 95 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 95 S C 1.371 175.998 174.600 0.044 0.000 0.974 95 S CA 0.500 58.752 58.200 0.087 0.000 0.942 95 S CB -0.147 63.191 63.200 0.230 0.000 0.766 95 S HN 0.418 nan 8.310 nan 0.000 0.536 96 c N 0.844 119.451 118.600 0.012 0.000 2.791 96 c HA 0.234 4.804 4.570 -0.000 0.000 0.288 96 c C 1.273 175.355 174.090 -0.012 0.000 1.271 96 c CA -0.854 55.484 56.329 0.015 0.000 1.726 96 c CB -0.719 41.806 42.510 0.024 0.000 2.145 96 c HN 0.610 nan 8.230 nan 0.000 0.572 97 E N 1.644 121.816 120.200 -0.047 0.000 2.485 97 E HA -0.065 4.284 4.350 -0.000 0.000 0.266 97 E C 1.142 177.716 176.600 -0.043 0.000 1.090 97 E CA 0.716 57.082 56.400 -0.056 0.000 0.987 97 E CB 0.819 30.460 29.700 -0.097 0.000 0.974 97 E HN 0.540 nan 8.360 nan 0.000 0.455 98 S N 3.639 119.318 115.700 -0.035 0.000 2.426 98 S HA -0.214 4.256 4.470 -0.000 0.000 0.220 98 S C 0.999 175.581 174.600 -0.030 0.000 1.040 98 S CA 1.119 59.305 58.200 -0.024 0.000 1.094 98 S CB -0.250 62.937 63.200 -0.022 0.000 1.072 98 S HN 0.611 nan 8.310 nan 0.000 0.415 99 N N 2.592 121.268 118.700 -0.041 0.000 3.303 99 N HA 0.239 4.979 4.740 -0.000 0.000 0.304 99 N C -0.640 174.825 175.510 -0.076 0.000 1.302 99 N CA 0.087 53.109 53.050 -0.046 0.000 1.213 99 N CB 0.224 38.686 38.487 -0.042 0.000 1.481 99 N HN 0.441 nan 8.380 nan 0.000 0.546 100 S N 1.764 117.416 115.700 -0.081 0.000 2.537 100 S HA 0.104 4.574 4.470 -0.000 0.000 0.286 100 S C -0.826 173.699 174.600 -0.126 0.000 1.299 100 S CA -0.962 57.152 58.200 -0.142 0.000 1.067 100 S CB 0.783 63.919 63.200 -0.107 0.000 0.864 100 S HN 0.340 nan 8.310 nan 0.000 0.494 101 P HA 0.067 nan 4.420 nan 0.000 0.236 101 P C -0.008 177.362 177.300 0.116 0.000 1.177 101 P CA 0.448 63.495 63.100 -0.089 0.000 0.773 101 P CB 0.044 31.659 31.700 -0.143 0.000 0.878 102 F N 2.478 122.354 119.950 -0.123 0.000 2.377 102 F HA 0.373 4.899 4.527 -0.000 0.000 0.328 102 F C -1.603 174.074 175.800 -0.205 0.000 1.094 102 F CA -3.154 54.735 58.000 -0.186 0.000 1.093 102 F CB 1.064 39.961 39.000 -0.172 0.000 1.214 102 F HN -0.239 nan 8.300 nan 0.000 0.518 103 P HA 0.191 nan 4.420 nan 0.000 0.284 103 P C -1.220 175.983 177.300 -0.163 0.000 1.253 103 P CA -0.208 62.757 63.100 -0.225 0.000 0.800 103 P CB 1.911 33.336 31.700 -0.458 0.000 0.961 104 V N 0.277 120.263 119.914 0.119 0.000 2.823 104 V HA 0.500 4.620 4.120 -0.000 0.000 0.312 104 V C 0.028 176.275 176.094 0.255 0.000 1.072 104 V CA -0.918 61.524 62.300 0.236 0.000 0.937 104 V CB 1.417 33.339 31.823 0.165 0.000 1.013 104 V HN 0.499 nan 8.190 nan 0.000 0.430 105 H N 2.171 121.442 119.070 0.335 0.000 2.679 105 H HA 0.386 4.942 4.556 -0.000 0.000 0.369 105 H C -2.416 172.974 175.328 0.104 0.000 1.178 105 H CA -1.423 54.709 56.048 0.139 0.000 1.419 105 H CB 1.101 30.883 29.762 0.032 0.000 1.458 105 H HN 0.514 nan 8.280 nan 0.000 0.605 106 P HA 0.081 nan 4.420 nan 0.000 0.267 106 P C 0.726 178.088 177.300 0.105 0.000 1.205 106 P CA 0.925 64.096 63.100 0.118 0.000 0.765 106 P CB 0.556 32.302 31.700 0.075 0.000 0.828 107 G N 1.871 110.724 108.800 0.088 0.000 2.159 107 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.227 107 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.227 107 G C 1.083 176.035 174.900 0.087 0.000 0.986 107 G CA 0.416 45.559 45.100 0.072 0.000 0.651 107 G HN 0.449 nan 8.290 nan 0.000 0.523 108 T N 0.910 115.533 114.554 0.114 0.000 2.770 108 T HA 0.203 4.553 4.350 -0.000 0.000 0.263 108 T C 2.776 177.527 174.700 0.086 0.000 1.039 108 T CA 2.154 64.327 62.100 0.121 0.000 1.142 108 T CB -0.384 68.575 68.868 0.152 0.000 0.868 108 T HN 1.197 nan 8.240 nan 0.000 0.435 109 A N 1.348 124.212 122.820 0.073 0.000 2.032 109 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 109 A C 2.151 179.762 177.584 0.045 0.000 1.165 109 A CA 2.035 54.104 52.037 0.053 0.000 0.645 109 A CB -0.489 18.537 19.000 0.045 0.000 0.807 109 A HN 0.466 nan 8.150 nan 0.000 0.453 110 E N -0.689 119.540 120.200 0.048 0.000 2.112 110 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 110 E C 1.778 178.402 176.600 0.040 0.000 0.979 110 E CA 1.424 57.847 56.400 0.039 0.000 0.814 110 E CB -0.758 28.964 29.700 0.036 0.000 0.762 110 E HN 0.507 nan 8.360 nan 0.000 0.460 111 c N -0.183 118.447 118.600 0.051 0.000 2.435 111 c HA -0.061 4.508 4.570 -0.000 0.000 0.279 111 c C 2.700 176.820 174.090 0.049 0.000 1.321 111 c CA 0.672 57.033 56.329 0.052 0.000 1.752 111 c CB -1.063 41.488 42.510 0.068 0.000 1.959 111 c HN 0.589 nan 8.230 nan 0.000 0.500 112 c N 1.079 119.709 118.600 0.050 0.000 2.432 112 c HA -0.084 4.486 4.570 -0.000 0.000 0.280 112 c C 2.854 176.962 174.090 0.031 0.000 1.353 112 c CA 1.775 58.130 56.329 0.043 0.000 1.766 112 c CB -1.746 40.788 42.510 0.041 0.000 1.924 112 c HN 0.823 nan 8.230 nan 0.000 0.509 113 T N -1.615 112.957 114.554 0.029 0.000 3.007 113 T HA -0.055 4.295 4.350 -0.000 0.000 0.270 113 T C 0.532 175.245 174.700 0.022 0.000 1.107 113 T CA 1.048 63.161 62.100 0.022 0.000 1.118 113 T CB -0.156 68.724 68.868 0.021 0.000 0.889 113 T HN 0.353 nan 8.240 nan 0.000 0.506 114 K N 2.459 122.874 120.400 0.026 0.000 2.347 114 K HA 0.542 4.862 4.320 -0.000 0.000 0.262 114 K C -0.449 176.167 176.600 0.027 0.000 1.052 114 K CA -0.277 56.025 56.287 0.024 0.000 0.946 114 K CB 1.677 34.193 32.500 0.025 0.000 1.220 114 K HN 0.314 nan 8.250 nan 0.000 0.450 115 E N 0.549 120.763 120.200 0.023 0.000 3.218 115 E HA 0.530 4.880 4.350 -0.000 0.000 0.265 115 E C 0.859 177.474 176.600 0.024 0.000 1.393 115 E CA 0.292 56.707 56.400 0.024 0.000 1.160 115 E CB 0.105 29.816 29.700 0.019 0.000 1.272 115 E HN 0.661 nan 8.360 nan 0.000 0.720 116 G N -0.683 108.131 108.800 0.024 0.000 2.645 116 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.246 116 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.246 116 G C 0.583 175.500 174.900 0.028 0.000 1.322 116 G CA 0.050 45.164 45.100 0.023 0.000 0.898 116 G HN 0.418 nan 8.290 nan 0.000 0.573 117 L N 0.687 121.927 121.223 0.027 0.000 2.450 117 L HA -0.021 4.318 4.340 -0.000 0.000 0.224 117 L C 2.741 179.630 176.870 0.032 0.000 1.149 117 L CA 1.688 56.547 54.840 0.031 0.000 0.816 117 L CB -0.439 41.637 42.059 0.029 0.000 0.932 117 L HN 0.718 nan 8.230 nan 0.000 0.449 118 E N -0.053 120.164 120.200 0.029 0.000 2.110 118 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 118 E C 2.213 178.834 176.600 0.035 0.000 0.988 118 E CA 0.922 57.339 56.400 0.028 0.000 0.804 118 E CB -0.030 29.685 29.700 0.024 0.000 0.745 118 E HN 0.405 nan 8.360 nan 0.000 0.458 119 R N 1.614 122.137 120.500 0.039 0.000 2.057 119 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 119 R C 2.156 178.491 176.300 0.057 0.000 1.136 119 R CA 1.382 57.511 56.100 0.048 0.000 0.952 119 R CB -0.055 30.274 30.300 0.049 0.000 0.848 119 R HN -0.106 nan 8.270 nan 0.000 0.430 120 K N 0.586 121.020 120.400 0.056 0.000 2.585 120 K HA -0.104 4.216 4.320 -0.000 0.000 0.194 120 K C 1.688 178.322 176.600 0.056 0.000 1.037 120 K CA 0.672 56.996 56.287 0.063 0.000 0.964 120 K CB 0.075 32.610 32.500 0.059 0.000 0.787 120 K HN 0.323 nan 8.250 nan 0.000 0.488 121 L N -1.320 119.931 121.223 0.047 0.000 2.590 121 L HA -0.027 4.313 4.340 -0.000 0.000 0.181 121 L C 2.256 179.148 176.870 0.037 0.000 1.134 121 L CA 0.313 55.176 54.840 0.039 0.000 0.850 121 L CB -0.655 41.423 42.059 0.031 0.000 1.172 121 L HN 0.232 nan 8.230 nan 0.000 0.498 122 c N 1.168 119.791 118.600 0.038 0.000 2.396 122 c HA -0.244 4.326 4.570 -0.000 0.000 0.277 122 c C 2.739 176.857 174.090 0.045 0.000 1.231 122 c CA 1.677 58.028 56.329 0.037 0.000 1.775 122 c CB -0.773 41.760 42.510 0.039 0.000 2.036 122 c HN 0.616 nan 8.230 nan 0.000 0.484 123 M N 0.350 119.987 119.600 0.063 0.000 2.334 123 M HA 0.029 4.508 4.480 -0.000 0.000 0.266 123 M C 2.489 178.830 176.300 0.068 0.000 1.082 123 M CA 1.426 56.778 55.300 0.087 0.000 1.141 123 M CB -0.512 32.161 32.600 0.123 0.000 1.380 123 M HN 0.505 nan 8.290 nan 0.000 0.440 124 A N 0.515 123.366 122.820 0.053 0.000 2.015 124 A HA 0.101 4.420 4.320 -0.000 0.000 0.219 124 A C 2.262 179.846 177.584 -0.001 0.000 1.163 124 A CA 1.624 53.681 52.037 0.032 0.000 0.646 124 A CB -0.553 18.469 19.000 0.037 0.000 0.806 124 A HN 0.468 nan 8.150 nan 0.000 0.448 125 A N -0.637 122.184 122.820 0.002 0.000 2.123 125 A HA 0.367 4.687 4.320 -0.000 0.000 0.214 125 A C 0.905 178.468 177.584 -0.035 0.000 1.152 125 A CA -0.235 51.794 52.037 -0.014 0.000 0.728 125 A CB -0.401 18.598 19.000 -0.002 0.000 0.814 125 A HN 0.419 nan 8.150 nan 0.000 0.464 126 L N 1.583 122.782 121.223 -0.040 0.000 2.628 126 L HA -0.039 4.300 4.340 -0.000 0.000 0.274 126 L C 0.537 177.311 176.870 -0.160 0.000 1.209 126 L CA 0.196 54.991 54.840 -0.076 0.000 0.930 126 L CB 0.221 42.249 42.059 -0.051 0.000 1.183 126 L HN 0.340 nan 8.230 nan 0.000 0.492 127 K N 1.706 122.033 120.400 -0.122 0.000 2.136 127 K HA 0.167 4.487 4.320 -0.000 0.000 0.237 127 K C -0.476 176.026 176.600 -0.163 0.000 1.048 127 K CA -0.620 55.598 56.287 -0.115 0.000 0.880 127 K CB 0.373 32.835 32.500 -0.062 0.000 1.105 127 K HN 0.421 nan 8.250 nan 0.000 0.507 128 H N 1.116 120.065 119.070 -0.201 0.000 2.551 128 H HA 0.079 4.634 4.556 -0.000 0.000 0.321 128 H C -1.022 174.246 175.328 -0.099 0.000 1.028 128 H CA -0.617 55.316 56.048 -0.193 0.000 1.215 128 H CB 0.698 30.351 29.762 -0.182 0.000 1.414 128 H HN 0.225 nan 8.280 nan 0.000 0.480 129 Q N 6.239 125.753 119.800 -0.476 0.000 2.349 129 Q HA 0.302 4.642 4.340 -0.000 0.000 0.254 129 Q C -2.468 173.267 176.000 -0.442 0.000 0.980 129 Q CA -2.155 53.455 55.803 -0.323 0.000 0.924 129 Q CB 1.127 29.772 28.738 -0.155 0.000 1.209 129 Q HN 0.566 nan 8.270 nan 0.000 0.445 130 P HA 0.019 nan 4.420 nan 0.000 0.272 130 P C -0.591 176.636 177.300 -0.122 0.000 1.240 130 P CA -0.406 62.583 63.100 -0.184 0.000 0.791 130 P CB 0.522 32.171 31.700 -0.085 0.000 0.978 131 Q N 0.803 120.538 119.800 -0.107 0.000 2.398 131 Q HA 0.112 4.452 4.340 -0.000 0.000 0.251 131 Q C 0.165 176.092 176.000 -0.122 0.000 0.999 131 Q CA 0.446 56.197 55.803 -0.086 0.000 0.874 131 Q CB 0.222 28.884 28.738 -0.127 0.000 1.215 131 Q HN 0.342 nan 8.270 nan 0.000 0.470 132 E N 3.080 123.200 120.200 -0.134 0.000 2.478 132 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 132 E C -0.658 175.570 176.600 -0.621 0.000 1.045 132 E CA 0.206 56.376 56.400 -0.383 0.000 0.868 132 E CB 0.355 29.749 29.700 -0.511 0.000 0.885 132 E HN 0.484 nan 8.360 nan 0.000 0.505 133 F N 2.167 122.047 119.950 -0.117 0.000 2.550 133 F HA 0.265 4.792 4.527 -0.000 0.000 0.348 133 F C -2.166 173.551 175.800 -0.138 0.000 1.219 133 F CA -2.600 55.325 58.000 -0.125 0.000 1.203 133 F CB 0.857 39.775 39.000 -0.136 0.000 1.436 133 F HN -0.177 nan 8.300 nan 0.000 0.541 134 P HA 0.092 nan 4.420 nan 0.000 0.268 134 P C 0.381 177.635 177.300 -0.076 0.000 1.205 134 P CA 0.004 62.998 63.100 -0.177 0.000 0.771 134 P CB 1.457 32.962 31.700 -0.325 0.000 0.858 135 T N -1.500 112.997 114.554 -0.094 0.000 3.288 135 T HA 0.097 4.447 4.350 -0.000 0.000 0.293 135 T C 0.157 174.844 174.700 -0.021 0.000 1.008 135 T CA -0.438 61.641 62.100 -0.035 0.000 0.929 135 T CB -0.900 67.952 68.868 -0.027 0.000 1.152 135 T HN 0.283 nan 8.240 nan 0.000 0.517 136 Y N 2.148 122.368 120.300 -0.134 0.000 2.526 136 Y HA 0.486 5.036 4.550 -0.000 0.000 0.330 136 Y C -0.394 175.537 175.900 0.051 0.000 1.156 136 Y CA -0.722 57.344 58.100 -0.056 0.000 1.419 136 Y CB 0.742 39.159 38.460 -0.071 0.000 1.250 136 Y HN 0.168 nan 8.280 nan 0.000 0.540 137 V N 7.535 126.989 119.914 -0.767 0.000 2.623 137 V HA 0.311 4.431 4.120 -0.000 0.000 0.304 137 V C -0.837 174.845 176.094 -0.686 0.000 1.054 137 V CA -0.800 61.182 62.300 -0.531 0.000 0.882 137 V CB 1.547 33.241 31.823 -0.215 0.000 1.002 137 V HN 0.897 nan 8.190 nan 0.000 0.424 138 E N 7.174 127.117 120.200 -0.428 0.000 2.344 138 E HA 0.387 4.737 4.350 -0.000 0.000 0.270 138 E C -2.211 174.359 176.600 -0.051 0.000 1.021 138 E CA -1.310 55.008 56.400 -0.137 0.000 0.887 138 E CB 1.122 30.893 29.700 0.119 0.000 0.997 138 E HN 0.639 nan 8.360 nan 0.000 0.429 139 P HA 0.039 nan 4.420 nan 0.000 0.275 139 P C -0.640 176.648 177.300 -0.021 0.000 1.266 139 P CA -0.429 62.683 63.100 0.020 0.000 0.793 139 P CB 0.433 32.188 31.700 0.091 0.000 1.074 140 T N -1.790 112.741 114.554 -0.038 0.000 2.766 140 T HA 0.095 4.445 4.350 -0.000 0.000 0.295 140 T C 1.183 175.791 174.700 -0.153 0.000 1.024 140 T CA -0.400 61.650 62.100 -0.083 0.000 1.018 140 T CB 0.107 68.944 68.868 -0.052 0.000 1.002 140 T HN 0.170 nan 8.240 nan 0.000 0.532 141 N N 0.762 119.318 118.700 -0.240 0.000 2.120 141 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 141 N C 1.540 176.962 175.510 -0.147 0.000 1.024 141 N CA 1.595 54.418 53.050 -0.379 0.000 0.852 141 N CB -0.720 37.547 38.487 -0.366 0.000 1.003 141 N HN 0.873 nan 8.380 nan 0.000 0.424 142 D N 0.785 121.144 120.400 -0.067 0.000 2.117 142 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 142 D C 1.539 177.833 176.300 -0.009 0.000 0.982 142 D CA 1.024 55.015 54.000 -0.015 0.000 0.828 142 D CB 0.097 40.895 40.800 -0.003 0.000 0.967 142 D HN 0.308 nan 8.370 nan 0.000 0.464 143 E N -0.273 119.919 120.200 -0.014 0.000 2.118 143 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 143 E C 2.293 178.905 176.600 0.019 0.000 0.992 143 E CA 0.808 57.218 56.400 0.017 0.000 0.804 143 E CB -0.037 29.681 29.700 0.030 0.000 0.741 143 E HN 0.456 nan 8.360 nan 0.000 0.458 144 I N 0.480 121.035 120.570 -0.025 0.000 2.163 144 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 144 I C 2.404 178.423 176.117 -0.164 0.000 1.081 144 I CA 0.739 61.981 61.300 -0.098 0.000 1.353 144 I CB -0.221 37.709 38.000 -0.117 0.000 1.054 144 I HN 0.237 nan 8.210 nan 0.000 0.407 145 c N 0.430 119.009 118.600 -0.035 0.000 2.440 145 c HA -0.090 4.480 4.570 -0.000 0.000 0.278 145 c C 2.726 176.845 174.090 0.048 0.000 1.295 145 c CA 0.469 56.822 56.329 0.041 0.000 1.738 145 c CB -0.924 41.645 42.510 0.099 0.000 1.987 145 c HN 0.472 nan 8.230 nan 0.000 0.492 146 E N 1.182 121.397 120.200 0.025 0.000 2.051 146 E HA -0.139 4.210 4.350 -0.000 0.000 0.192 146 E C 2.446 179.063 176.600 0.028 0.000 0.991 146 E CA 1.596 58.014 56.400 0.029 0.000 0.799 146 E CB -0.640 29.077 29.700 0.029 0.000 0.748 146 E HN 0.641 nan 8.360 nan 0.000 0.449 147 A N 0.846 123.685 122.820 0.031 0.000 1.902 147 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 147 A C 2.060 179.670 177.584 0.044 0.000 1.181 147 A CA 1.252 53.333 52.037 0.073 0.000 0.623 147 A CB -0.790 18.315 19.000 0.176 0.000 0.818 147 A HN 0.269 nan 8.150 nan 0.000 0.443 148 F N 0.430 120.219 119.950 -0.268 0.000 2.234 148 F HA -0.087 4.440 4.527 -0.000 0.000 0.299 148 F C 2.289 178.042 175.800 -0.077 0.000 1.087 148 F CA 1.711 59.558 58.000 -0.256 0.000 1.340 148 F CB -0.191 38.558 39.000 -0.418 0.000 1.031 148 F HN 0.231 nan 8.300 nan 0.000 0.500 149 R N 0.497 120.956 120.500 -0.069 0.000 2.062 149 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 149 R C 2.181 178.409 176.300 -0.120 0.000 1.128 149 R CA 1.658 57.690 56.100 -0.113 0.000 0.960 149 R CB -0.160 30.132 30.300 -0.013 0.000 0.855 149 R HN 0.205 nan 8.270 nan 0.000 0.432 150 K N -0.732 119.635 120.400 -0.054 0.000 2.097 150 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 150 K C 0.137 176.719 176.600 -0.030 0.000 1.050 150 K CA 1.149 57.419 56.287 -0.028 0.000 0.938 150 K CB 0.151 32.657 32.500 0.010 0.000 0.718 150 K HN 0.076 nan 8.250 nan 0.000 0.442 151 D N -1.013 119.375 120.400 -0.021 0.000 2.668 151 D HA 0.095 4.735 4.640 -0.000 0.000 0.247 151 D C -2.209 174.112 176.300 0.035 0.000 1.268 151 D CA -1.748 52.260 54.000 0.012 0.000 0.842 151 D CB 1.108 41.952 40.800 0.074 0.000 1.399 151 D HN -0.168 nan 8.370 nan 0.000 0.530 152 P HA -0.161 nan 4.420 nan 0.000 0.217 152 P C 1.245 178.637 177.300 0.154 0.000 1.150 152 P CA 0.697 63.700 63.100 -0.161 0.000 0.832 152 P CB 0.663 31.982 31.700 -0.636 0.000 0.787 153 K N 0.671 121.132 120.400 0.101 0.000 2.025 153 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 153 K C 2.124 178.845 176.600 0.201 0.000 1.049 153 K CA 1.848 58.223 56.287 0.145 0.000 0.933 153 K CB -0.888 31.668 32.500 0.094 0.000 0.714 153 K HN 0.320 nan 8.250 nan 0.000 0.438 154 E N 0.123 120.445 120.200 0.203 0.000 2.152 154 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 154 E C 2.057 178.815 176.600 0.263 0.000 0.983 154 E CA 0.923 57.476 56.400 0.255 0.000 0.818 154 E CB -0.645 29.192 29.700 0.227 0.000 0.758 154 E HN 0.349 nan 8.360 nan 0.000 0.467 155 Y N 1.169 121.593 120.300 0.207 0.000 2.114 155 Y HA -0.080 4.470 4.550 -0.000 0.000 0.284 155 Y C 2.397 178.480 175.900 0.306 0.000 1.143 155 Y CA 2.086 60.334 58.100 0.247 0.000 1.135 155 Y CB -0.849 37.789 38.460 0.297 0.000 0.980 155 Y HN 0.129 nan 8.280 nan 0.000 0.499 156 A N 0.450 123.382 122.820 0.187 0.000 1.902 156 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 156 A C 2.050 179.735 177.584 0.168 0.000 1.181 156 A CA 1.997 54.140 52.037 0.176 0.000 0.623 156 A CB -1.066 18.124 19.000 0.317 0.000 0.818 156 A HN 0.736 nan 8.150 nan 0.000 0.443 157 N N -0.891 117.928 118.700 0.198 0.000 2.106 157 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 157 N C 2.048 177.659 175.510 0.169 0.000 1.029 157 N CA 1.071 54.278 53.050 0.262 0.000 0.848 157 N CB -0.147 38.566 38.487 0.377 0.000 1.007 157 N HN 0.459 nan 8.380 nan 0.000 0.423 158 Q N 0.742 120.486 119.800 -0.092 0.000 2.170 158 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 158 Q C 1.768 177.698 176.000 -0.116 0.000 0.976 158 Q CA 1.234 56.683 55.803 -0.591 0.000 0.858 158 Q CB -0.196 28.234 28.738 -0.514 0.000 0.907 158 Q HN 0.387 nan 8.270 nan 0.000 0.433 159 F N 0.633 120.470 119.950 -0.188 0.000 2.084 159 F HA -0.113 4.414 4.527 -0.000 0.000 0.296 159 F C 2.157 177.942 175.800 -0.025 0.000 1.111 159 F CA 1.430 59.351 58.000 -0.132 0.000 1.224 159 F CB -0.407 38.422 39.000 -0.285 0.000 0.991 159 F HN -0.004 nan 8.300 nan 0.000 0.471 160 M N -1.181 118.277 119.600 -0.237 0.000 2.149 160 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 160 M C 2.118 178.343 176.300 -0.125 0.000 1.064 160 M CA 2.263 57.417 55.300 -0.243 0.000 1.102 160 M CB -0.917 31.702 32.600 0.031 0.000 1.369 160 M HN 0.552 nan 8.290 nan 0.000 0.408 161 W N 1.403 122.614 121.300 -0.149 0.000 2.378 161 W HA -0.180 4.480 4.660 -0.000 0.000 0.313 161 W C 2.254 178.699 176.519 -0.123 0.000 1.197 161 W CA 1.869 59.178 57.345 -0.061 0.000 1.304 161 W CB -0.364 29.127 29.460 0.051 0.000 1.148 161 W HN 0.230 nan 8.180 nan 0.000 0.494 162 E N -1.235 118.730 120.200 -0.391 0.000 2.077 162 E HA -0.324 4.026 4.350 -0.000 0.000 0.193 162 E C 2.194 178.445 176.600 -0.581 0.000 0.989 162 E CA 1.648 57.629 56.400 -0.699 0.000 0.800 162 E CB -0.758 28.874 29.700 -0.114 0.000 0.746 162 E HN 0.430 nan 8.360 nan 0.000 0.452 163 Y N 0.771 120.648 120.300 -0.705 0.000 2.163 163 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 163 Y C 2.480 178.117 175.900 -0.439 0.000 1.136 163 Y CA 1.993 59.656 58.100 -0.729 0.000 1.147 163 Y CB -0.140 37.678 38.460 -1.071 0.000 0.987 163 Y HN 0.035 nan 8.280 nan 0.000 0.509 164 S N -1.029 114.500 115.700 -0.284 0.000 2.406 164 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 164 S C 2.010 176.444 174.600 -0.277 0.000 1.020 164 S CA 1.557 59.642 58.200 -0.192 0.000 0.965 164 S CB -0.719 62.429 63.200 -0.086 0.000 0.798 164 S HN 0.739 nan 8.310 nan 0.000 0.488 165 T N 1.040 115.328 114.554 -0.443 0.000 2.904 165 T HA 0.029 4.379 4.350 -0.000 0.000 0.267 165 T C 1.564 176.009 174.700 -0.425 0.000 1.059 165 T CA 0.883 62.736 62.100 -0.413 0.000 1.137 165 T CB -0.306 68.180 68.868 -0.638 0.000 0.879 165 T HN 0.240 nan 8.240 nan 0.000 0.467 166 N N 0.734 119.069 118.700 -0.609 0.000 2.250 166 N HA 0.010 4.750 4.740 -0.000 0.000 0.181 166 N C 0.130 175.081 175.510 -0.931 0.000 1.017 166 N CA 0.967 53.543 53.050 -0.790 0.000 0.866 166 N CB -0.002 37.865 38.487 -1.032 0.000 0.985 166 N HN 0.563 nan 8.380 nan 0.000 0.429 167 Y N -0.521 119.514 120.300 -0.441 0.000 2.736 167 Y HA 0.346 4.896 4.550 -0.000 0.000 0.293 167 Y C 1.730 177.484 175.900 -0.244 0.000 1.062 167 Y CA -0.686 57.188 58.100 -0.377 0.000 1.247 167 Y CB 0.501 38.617 38.460 -0.574 0.000 1.200 167 Y HN -0.065 nan 8.280 nan 0.000 0.552 168 G N -0.149 108.582 108.800 -0.115 0.000 2.535 168 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 168 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 168 G C 1.433 176.321 174.900 -0.019 0.000 1.122 168 G CA 0.637 45.706 45.100 -0.051 0.000 0.769 168 G HN 0.252 nan 8.290 nan 0.000 0.549 169 Q N -0.021 119.771 119.800 -0.014 0.000 2.360 169 Q HA 0.326 4.666 4.340 -0.000 0.000 0.202 169 Q C 1.275 177.256 176.000 -0.032 0.000 0.915 169 Q CA 0.135 55.931 55.803 -0.011 0.000 0.943 169 Q CB 0.336 29.073 28.738 -0.001 0.000 1.064 169 Q HN 0.438 nan 8.270 nan 0.000 0.511 170 A N 2.421 125.220 122.820 -0.035 0.000 2.351 170 A HA 0.414 4.734 4.320 -0.000 0.000 0.257 170 A C -2.216 175.339 177.584 -0.048 0.000 1.087 170 A CA -1.153 50.851 52.037 -0.055 0.000 0.798 170 A CB -0.198 18.768 19.000 -0.056 0.000 1.033 170 A HN -0.044 nan 8.150 nan 0.000 0.488 171 P HA 0.011 nan 4.420 nan 0.000 0.266 171 P C 0.965 178.248 177.300 -0.029 0.000 1.195 171 P CA -0.249 62.822 63.100 -0.049 0.000 0.768 171 P CB 0.408 32.075 31.700 -0.055 0.000 0.838 172 L N 3.958 125.164 121.223 -0.029 0.000 2.042 172 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 172 L C 2.160 179.032 176.870 0.003 0.000 1.076 172 L CA 2.588 57.419 54.840 -0.016 0.000 0.749 172 L CB -1.459 40.584 42.059 -0.026 0.000 0.893 172 L HN 0.447 nan 8.230 nan 0.000 0.432 173 S N -0.687 115.012 115.700 -0.001 0.000 2.365 173 S HA -0.271 4.198 4.470 -0.000 0.000 0.225 173 S C 2.064 176.678 174.600 0.023 0.000 1.039 173 S CA 1.922 60.128 58.200 0.011 0.000 1.033 173 S CB -1.205 61.996 63.200 0.003 0.000 0.887 173 S HN 0.539 nan 8.310 nan 0.000 0.447 174 L N 0.585 121.817 121.223 0.014 0.000 2.072 174 L HA 0.042 4.382 4.340 -0.000 0.000 0.205 174 L C 2.690 179.609 176.870 0.082 0.000 1.079 174 L CA 0.999 55.857 54.840 0.030 0.000 0.752 174 L CB -0.539 41.510 42.059 -0.017 0.000 0.906 174 L HN 0.319 nan 8.230 nan 0.000 0.436 175 L N -1.103 120.166 121.223 0.076 0.000 2.083 175 L HA -0.190 4.149 4.340 -0.000 0.000 0.209 175 L C 2.482 179.417 176.870 0.109 0.000 1.083 175 L CA 0.797 55.714 54.840 0.127 0.000 0.752 175 L CB -0.484 41.629 42.059 0.091 0.000 0.899 175 L HN 0.065 nan 8.230 nan 0.000 0.433 176 V N -0.264 119.691 119.914 0.069 0.000 2.307 176 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 176 V C 2.690 178.820 176.094 0.060 0.000 1.045 176 V CA 2.007 64.340 62.300 0.056 0.000 1.024 176 V CB -0.474 31.373 31.823 0.040 0.000 0.651 176 V HN 0.629 nan 8.190 nan 0.000 0.449 177 S N -0.583 115.158 115.700 0.069 0.000 2.383 177 S HA -0.258 4.212 4.470 -0.000 0.000 0.227 177 S C 2.041 176.689 174.600 0.079 0.000 1.026 177 S CA 1.665 59.905 58.200 0.066 0.000 0.981 177 S CB -0.762 62.480 63.200 0.069 0.000 0.818 177 S HN 0.598 nan 8.310 nan 0.000 0.472 178 Y N 3.729 124.032 120.300 0.005 0.000 2.163 178 Y HA -0.125 4.425 4.550 -0.000 0.000 0.288 178 Y C 2.899 178.811 175.900 0.021 0.000 1.136 178 Y CA 2.083 60.176 58.100 -0.012 0.000 1.147 178 Y CB -1.162 37.254 38.460 -0.073 0.000 0.987 178 Y HN 0.508 nan 8.280 nan 0.000 0.509 179 T N -1.650 112.855 114.554 -0.081 0.000 2.788 179 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 179 T C 1.974 176.703 174.700 0.047 0.000 1.044 179 T CA 1.714 63.829 62.100 0.025 0.000 1.139 179 T CB -0.473 68.442 68.868 0.078 0.000 0.867 179 T HN 0.358 nan 8.240 nan 0.000 0.454 180 K N 0.888 121.295 120.400 0.011 0.000 2.057 180 K HA -0.032 4.288 4.320 -0.000 0.000 0.206 180 K C 2.574 179.147 176.600 -0.045 0.000 1.050 180 K CA 1.348 57.641 56.287 0.010 0.000 0.935 180 K CB -0.258 32.252 32.500 0.016 0.000 0.715 180 K HN 0.336 nan 8.250 nan 0.000 0.439 181 S N -0.046 115.599 115.700 -0.091 0.000 2.368 181 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 181 S C 1.581 176.060 174.600 -0.202 0.000 1.029 181 S CA 1.080 59.207 58.200 -0.123 0.000 0.988 181 S CB -0.437 62.710 63.200 -0.088 0.000 0.838 181 S HN 0.417 nan 8.310 nan 0.000 0.462 182 Y N 2.276 122.294 120.300 -0.470 0.000 2.145 182 Y HA -0.092 4.458 4.550 -0.000 0.000 0.286 182 Y C 1.902 177.581 175.900 -0.368 0.000 1.145 182 Y CA 1.388 59.173 58.100 -0.525 0.000 1.148 182 Y CB -0.392 37.568 38.460 -0.834 0.000 0.981 182 Y HN 0.129 nan 8.280 nan 0.000 0.507 183 L N -0.963 120.165 121.223 -0.158 0.000 2.131 183 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 183 L C 2.764 179.511 176.870 -0.206 0.000 1.092 183 L CA 1.530 56.292 54.840 -0.130 0.000 0.759 183 L CB -0.724 41.377 42.059 0.071 0.000 0.903 183 L HN 0.237 nan 8.230 nan 0.000 0.435 184 S N -0.163 115.433 115.700 -0.173 0.000 2.402 184 S HA -0.214 4.255 4.470 -0.000 0.000 0.229 184 S C 2.033 176.479 174.600 -0.255 0.000 1.021 184 S CA 1.187 59.289 58.200 -0.164 0.000 0.974 184 S CB -0.106 63.028 63.200 -0.111 0.000 0.800 184 S HN 0.396 nan 8.310 nan 0.000 0.484 185 M N 0.800 120.204 119.600 -0.326 0.000 2.132 185 M HA -0.053 4.426 4.480 -0.000 0.000 0.263 185 M C 1.823 177.812 176.300 -0.519 0.000 1.065 185 M CA 1.610 56.681 55.300 -0.382 0.000 1.122 185 M CB -0.283 32.094 32.600 -0.371 0.000 1.365 185 M HN 0.256 nan 8.290 nan 0.000 0.411 186 V N 0.737 120.307 119.914 -0.573 0.000 2.343 186 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 186 V C 2.658 178.281 176.094 -0.785 0.000 1.051 186 V CA 2.134 64.056 62.300 -0.630 0.000 1.036 186 V CB -1.733 29.703 31.823 -0.646 0.000 0.654 186 V HN 0.744 nan 8.190 nan 0.000 0.451 187 G N 0.041 108.421 108.800 -0.701 0.000 2.418 187 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 187 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 187 G C 1.876 176.620 174.900 -0.261 0.000 1.158 187 G CA 1.385 46.206 45.100 -0.464 0.000 0.771 187 G HN 0.645 nan 8.290 nan 0.000 0.545 188 S N -0.635 114.895 115.700 -0.284 0.000 2.395 188 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 188 S C 2.319 176.737 174.600 -0.303 0.000 1.027 188 S CA 1.206 59.268 58.200 -0.230 0.000 0.965 188 S CB -0.689 62.391 63.200 -0.202 0.000 0.812 188 S HN 0.307 nan 8.310 nan 0.000 0.482 189 c N 1.195 119.496 118.600 -0.497 0.000 2.466 189 c HA 0.088 4.658 4.570 -0.000 0.000 0.278 189 c C 3.004 176.783 174.090 -0.518 0.000 1.288 189 c CA 0.272 56.199 56.329 -0.671 0.000 1.722 189 c CB -1.566 40.106 42.510 -1.396 0.000 2.017 189 c HN 0.720 nan 8.230 nan 0.000 0.488 190 c N 1.004 119.341 118.600 -0.437 0.000 2.419 190 c HA -0.064 4.506 4.570 -0.000 0.000 0.283 190 c C 2.379 176.430 174.090 -0.066 0.000 1.373 190 c CA 1.886 58.122 56.329 -0.156 0.000 1.781 190 c CB -1.729 40.747 42.510 -0.057 0.000 1.886 190 c HN 0.839 nan 8.230 nan 0.000 0.520 191 T N -2.093 112.408 114.554 -0.088 0.000 3.132 191 T HA 0.179 4.529 4.350 -0.000 0.000 0.274 191 T C 0.460 175.122 174.700 -0.064 0.000 1.011 191 T CA 0.317 62.392 62.100 -0.041 0.000 0.899 191 T CB -0.145 68.720 68.868 -0.006 0.000 1.089 191 T HN 0.486 nan 8.240 nan 0.000 0.543 192 S N 0.626 116.263 115.700 -0.104 0.000 2.661 192 S HA 0.717 5.187 4.470 -0.000 0.000 0.265 192 S C 1.929 176.492 174.600 -0.063 0.000 1.225 192 S CA -0.275 57.868 58.200 -0.096 0.000 0.986 192 S CB 0.747 63.863 63.200 -0.139 0.000 1.008 192 S HN 0.373 nan 8.310 nan 0.000 0.565 193 A N 0.753 123.541 122.820 -0.053 0.000 1.892 193 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 193 A C 1.498 179.065 177.584 -0.028 0.000 1.188 193 A CA 1.812 53.828 52.037 -0.035 0.000 0.631 193 A CB -0.959 18.023 19.000 -0.031 0.000 0.822 193 A HN 1.099 nan 8.150 nan 0.000 0.447 194 S N -1.487 114.193 115.700 -0.034 0.000 2.746 194 S HA 0.515 4.985 4.470 -0.000 0.000 0.273 194 S C -2.295 172.290 174.600 -0.025 0.000 1.172 194 S CA -1.259 56.930 58.200 -0.018 0.000 1.116 194 S CB 1.306 64.502 63.200 -0.007 0.000 1.057 194 S HN 0.018 nan 8.310 nan 0.000 0.483 195 P HA -0.107 nan 4.420 nan 0.000 0.216 195 P C 1.452 178.823 177.300 0.118 0.000 1.153 195 P CA 1.404 64.497 63.100 -0.011 0.000 0.858 195 P CB 0.062 31.804 31.700 0.071 0.000 0.789 196 T N -0.726 113.903 114.554 0.126 0.000 2.652 196 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 196 T C 1.822 176.586 174.700 0.106 0.000 1.039 196 T CA 1.573 63.755 62.100 0.137 0.000 1.153 196 T CB -1.105 67.807 68.868 0.072 0.000 0.863 196 T HN -0.100 nan 8.240 nan 0.000 0.428 197 V N 0.698 120.641 119.914 0.048 0.000 2.343 197 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 197 V C 2.815 178.914 176.094 0.008 0.000 1.051 197 V CA 1.514 63.829 62.300 0.025 0.000 1.036 197 V CB -0.830 30.994 31.823 0.002 0.000 0.654 197 V HN 0.708 nan 8.190 nan 0.000 0.451 198 c N -0.274 118.303 118.600 -0.039 0.000 2.432 198 c HA -0.193 4.377 4.570 -0.000 0.000 0.277 198 c C 2.554 176.583 174.090 -0.102 0.000 1.249 198 c CA 1.077 57.334 56.329 -0.121 0.000 1.725 198 c CB -1.215 41.148 42.510 -0.245 0.000 2.028 198 c HN 0.570 nan 8.230 nan 0.000 0.477 199 F N 0.238 120.146 119.950 -0.071 0.000 2.161 199 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 199 F C 2.178 177.953 175.800 -0.043 0.000 1.089 199 F CA 1.446 59.401 58.000 -0.076 0.000 1.282 199 F CB -0.446 38.510 39.000 -0.073 0.000 1.010 199 F HN 0.219 nan 8.300 nan 0.000 0.485 200 L N 1.185 122.507 121.223 0.165 0.000 1.989 200 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 200 L C 2.522 179.430 176.870 0.064 0.000 1.071 200 L CA 2.071 56.969 54.840 0.096 0.000 0.749 200 L CB -0.756 41.342 42.059 0.065 0.000 0.890 200 L HN 0.135 nan 8.230 nan 0.000 0.431 201 K N -1.237 119.184 120.400 0.035 0.000 2.062 201 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 201 K C 1.818 178.425 176.600 0.013 0.000 1.051 201 K CA 1.669 57.965 56.287 0.016 0.000 0.941 201 K CB -0.629 31.868 32.500 -0.006 0.000 0.719 201 K HN 0.396 nan 8.250 nan 0.000 0.440 202 E N 0.748 120.945 120.200 -0.005 0.000 2.150 202 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 202 E C 2.212 178.832 176.600 0.033 0.000 0.985 202 E CA 0.701 57.090 56.400 -0.018 0.000 0.814 202 E CB 0.040 29.683 29.700 -0.095 0.000 0.752 202 E HN 0.333 nan 8.360 nan 0.000 0.466 203 R N 0.380 120.928 120.500 0.080 0.000 2.148 203 R HA -0.042 4.298 4.340 -0.000 0.000 0.227 203 R C 2.409 178.770 176.300 0.103 0.000 1.103 203 R CA 0.557 56.727 56.100 0.117 0.000 0.983 203 R CB -0.147 30.237 30.300 0.140 0.000 0.874 203 R HN 0.203 nan 8.270 nan 0.000 0.451 204 L N 1.144 122.412 121.223 0.075 0.000 2.056 204 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 204 L C 2.636 179.546 176.870 0.067 0.000 1.078 204 L CA 1.387 56.266 54.840 0.066 0.000 0.749 204 L CB -0.392 41.695 42.059 0.047 0.000 0.901 204 L HN 0.281 nan 8.230 nan 0.000 0.433 205 Q N -0.836 118.996 119.800 0.054 0.000 2.436 205 Q HA -0.152 4.187 4.340 -0.000 0.000 0.209 205 Q C 1.745 177.796 176.000 0.085 0.000 0.965 205 Q CA 0.947 56.780 55.803 0.051 0.000 0.910 205 Q CB -0.024 28.728 28.738 0.022 0.000 0.980 205 Q HN 0.357 nan 8.270 nan 0.000 0.491 206 L N 0.739 122.028 121.223 0.110 0.000 2.554 206 L HA 0.147 4.487 4.340 -0.000 0.000 0.225 206 L C 2.121 179.110 176.870 0.197 0.000 1.104 206 L CA 0.796 55.738 54.840 0.170 0.000 0.866 206 L CB -0.060 42.111 42.059 0.188 0.000 1.047 206 L HN 0.104 nan 8.230 nan 0.000 0.468 207 K N -0.851 119.638 120.400 0.149 0.000 2.044 207 K HA -0.292 4.028 4.320 -0.000 0.000 0.210 207 K C 2.255 178.907 176.600 0.087 0.000 1.049 207 K CA 1.803 58.158 56.287 0.114 0.000 0.927 207 K CB -0.276 32.282 32.500 0.097 0.000 0.713 207 K HN 0.457 nan 8.250 nan 0.000 0.443 208 H N 0.435 119.522 119.070 0.029 0.000 2.290 208 H HA -0.173 4.383 4.556 -0.000 0.000 0.298 208 H C 2.144 177.462 175.328 -0.017 0.000 1.087 208 H CA 1.922 57.971 56.048 0.002 0.000 1.291 208 H CB -0.126 29.639 29.762 0.005 0.000 1.369 208 H HN 0.243 nan 8.280 nan 0.000 0.492 209 L N 0.769 122.012 121.223 0.033 0.000 2.083 209 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 209 L C 2.993 179.743 176.870 -0.200 0.000 1.083 209 L CA 1.995 56.822 54.840 -0.023 0.000 0.752 209 L CB -1.072 41.114 42.059 0.212 0.000 0.899 209 L HN 0.264 nan 8.230 nan 0.000 0.433 210 S N -0.834 114.753 115.700 -0.189 0.000 2.353 210 S HA -0.210 4.259 4.470 -0.000 0.000 0.222 210 S C 2.081 176.441 174.600 -0.400 0.000 1.035 210 S CA 1.833 59.737 58.200 -0.493 0.000 1.025 210 S CB -0.450 62.654 63.200 -0.159 0.000 0.902 210 S HN 0.477 nan 8.310 nan 0.000 0.440 211 L N 0.577 121.645 121.223 -0.257 0.000 2.046 211 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 211 L C 2.578 179.267 176.870 -0.302 0.000 1.077 211 L CA 1.035 55.733 54.840 -0.238 0.000 0.747 211 L CB -0.553 41.408 42.059 -0.162 0.000 0.896 211 L HN 0.357 nan 8.230 nan 0.000 0.432 212 L N -0.550 120.455 121.223 -0.364 0.000 2.083 212 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 212 L C 2.434 179.121 176.870 -0.306 0.000 1.083 212 L CA 2.016 56.639 54.840 -0.361 0.000 0.752 212 L CB -0.638 41.168 42.059 -0.420 0.000 0.899 212 L HN 0.162 nan 8.230 nan 0.000 0.433 213 T N -1.536 112.823 114.554 -0.325 0.000 2.777 213 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 213 T C 1.755 176.245 174.700 -0.349 0.000 1.040 213 T CA 1.799 63.721 62.100 -0.296 0.000 1.141 213 T CB -0.532 68.142 68.868 -0.323 0.000 0.868 213 T HN 0.653 nan 8.240 nan 0.000 0.444 214 T N 0.964 115.244 114.554 -0.456 0.000 2.857 214 T HA 0.051 4.401 4.350 -0.000 0.000 0.266 214 T C 1.984 176.514 174.700 -0.283 0.000 1.048 214 T CA 0.601 62.405 62.100 -0.494 0.000 1.139 214 T CB -0.585 67.962 68.868 -0.535 0.000 0.874 214 T HN 0.158 nan 8.240 nan 0.000 0.455 215 L N 1.779 122.835 121.223 -0.278 0.000 2.017 215 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 215 L C 2.623 179.340 176.870 -0.255 0.000 1.073 215 L CA 1.787 56.461 54.840 -0.277 0.000 0.745 215 L CB -1.005 40.888 42.059 -0.278 0.000 0.894 215 L HN 0.240 nan 8.230 nan 0.000 0.432 216 S N -0.113 115.441 115.700 -0.244 0.000 2.370 216 S HA -0.232 4.237 4.470 -0.000 0.000 0.226 216 S C 1.791 176.305 174.600 -0.144 0.000 1.033 216 S CA 1.556 59.635 58.200 -0.201 0.000 1.011 216 S CB -0.742 62.346 63.200 -0.187 0.000 0.852 216 S HN 0.686 nan 8.310 nan 0.000 0.457 217 N N 1.253 119.878 118.700 -0.125 0.000 2.120 217 N HA -0.153 4.586 4.740 -0.000 0.000 0.188 217 N C 1.762 177.236 175.510 -0.061 0.000 1.024 217 N CA 1.216 54.230 53.050 -0.061 0.000 0.852 217 N CB -0.127 38.372 38.487 0.021 0.000 1.003 217 N HN 0.092 nan 8.380 nan 0.000 0.424 218 R N 0.486 120.930 120.500 -0.093 0.000 2.062 218 R HA -0.028 4.312 4.340 -0.000 0.000 0.231 218 R C 2.180 178.437 176.300 -0.071 0.000 1.136 218 R CA 1.871 57.915 56.100 -0.093 0.000 0.948 218 R CB -1.121 29.082 30.300 -0.163 0.000 0.845 218 R HN 0.306 nan 8.270 nan 0.000 0.430 219 V N -1.938 117.916 119.914 -0.101 0.000 2.515 219 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 219 V C 2.181 178.284 176.094 0.014 0.000 1.058 219 V CA 1.718 64.008 62.300 -0.016 0.000 1.064 219 V CB -1.019 30.794 31.823 -0.017 0.000 0.675 219 V HN 0.329 nan 8.190 nan 0.000 0.461 220 c N 1.594 120.178 118.600 -0.027 0.000 2.464 220 c HA 0.018 4.587 4.570 -0.000 0.000 0.278 220 c C 3.297 177.425 174.090 0.064 0.000 1.375 220 c CA 1.110 57.449 56.329 0.018 0.000 1.761 220 c CB -0.948 41.541 42.510 -0.036 0.000 1.944 220 c HN 0.837 nan 8.230 nan 0.000 0.509 221 S N 1.018 116.724 115.700 0.009 0.000 2.387 221 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 221 S C 1.665 176.240 174.600 -0.042 0.000 1.026 221 S CA 1.141 59.333 58.200 -0.014 0.000 0.972 221 S CB -0.532 62.636 63.200 -0.052 0.000 0.814 221 S HN 0.738 nan 8.310 nan 0.000 0.477 222 Q N -0.318 119.458 119.800 -0.040 0.000 2.079 222 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 222 Q C 2.014 177.986 176.000 -0.047 0.000 0.974 222 Q CA 1.694 57.422 55.803 -0.125 0.000 0.840 222 Q CB -0.473 28.242 28.738 -0.037 0.000 0.898 222 Q HN 0.753 nan 8.270 nan 0.000 0.430 223 Y N 1.076 121.360 120.300 -0.026 0.000 2.165 223 Y HA -0.260 4.290 4.550 -0.000 0.000 0.286 223 Y C 2.220 178.135 175.900 0.025 0.000 1.155 223 Y CA 1.525 59.644 58.100 0.032 0.000 1.164 223 Y CB -0.317 38.153 38.460 0.017 0.000 0.978 223 Y HN 0.089 nan 8.280 nan 0.000 0.513 224 A N 0.060 122.919 122.820 0.065 0.000 1.968 224 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 224 A C 2.349 179.893 177.584 -0.066 0.000 1.169 224 A CA 1.401 53.428 52.037 -0.016 0.000 0.638 224 A CB -1.289 17.744 19.000 0.056 0.000 0.812 224 A HN 0.577 nan 8.150 nan 0.000 0.446 225 A N -1.599 121.164 122.820 -0.095 0.000 1.930 225 A HA -0.025 4.294 4.320 -0.000 0.000 0.217 225 A C 2.048 179.614 177.584 -0.031 0.000 1.175 225 A CA 1.326 53.288 52.037 -0.125 0.000 0.627 225 A CB -0.589 18.251 19.000 -0.267 0.000 0.815 225 A HN 0.672 nan 8.150 nan 0.000 0.443 226 Y N -1.030 119.216 120.300 -0.090 0.000 2.436 226 Y HA 0.345 4.895 4.550 -0.000 0.000 0.288 226 Y C 1.527 177.326 175.900 -0.169 0.000 1.112 226 Y CA -0.067 57.970 58.100 -0.104 0.000 1.220 226 Y CB 0.235 38.650 38.460 -0.074 0.000 1.073 226 Y HN 0.524 nan 8.280 nan 0.000 0.552 227 G N 1.084 109.801 108.800 -0.140 0.000 2.690 227 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.686 227 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.686 227 G C 0.084 174.761 174.900 -0.372 0.000 1.277 227 G CA 0.024 44.961 45.100 -0.273 0.000 0.799 227 G HN 0.343 nan 8.290 nan 0.000 0.613 228 E N 0.216 120.176 120.200 -0.400 0.000 2.049 228 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 228 E C 2.358 178.938 176.600 -0.033 0.000 1.007 228 E CA 1.749 58.035 56.400 -0.191 0.000 0.809 228 E CB -0.117 29.591 29.700 0.013 0.000 0.749 228 E HN 0.568 nan 8.360 nan 0.000 0.450 229 K N 0.688 121.064 120.400 -0.039 0.000 2.026 229 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 229 K C 2.263 178.838 176.600 -0.040 0.000 1.048 229 K CA 1.728 58.003 56.287 -0.020 0.000 0.929 229 K CB -0.082 32.402 32.500 -0.026 0.000 0.713 229 K HN -0.057 nan 8.250 nan 0.000 0.439 230 K N 0.038 120.388 120.400 -0.084 0.000 2.155 230 K HA -0.084 4.235 4.320 -0.000 0.000 0.203 230 K C 2.170 178.673 176.600 -0.162 0.000 1.052 230 K CA 1.269 57.449 56.287 -0.178 0.000 0.948 230 K CB -0.067 32.279 32.500 -0.257 0.000 0.728 230 K HN 0.100 nan 8.250 nan 0.000 0.448 231 S N 0.676 116.382 115.700 0.009 0.000 2.368 231 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 231 S C 2.044 176.730 174.600 0.145 0.000 1.029 231 S CA 1.153 59.464 58.200 0.186 0.000 0.988 231 S CB -0.232 63.109 63.200 0.235 0.000 0.838 231 S HN 0.384 nan 8.310 nan 0.000 0.462 232 R N -0.206 120.358 120.500 0.108 0.000 2.083 232 R HA -0.085 4.255 4.340 -0.000 0.000 0.237 232 R C 2.171 178.511 176.300 0.066 0.000 1.137 232 R CA 1.748 57.906 56.100 0.098 0.000 0.951 232 R CB -0.519 29.827 30.300 0.078 0.000 0.851 232 R HN 0.402 nan 8.270 nan 0.000 0.434 233 L N 0.534 121.770 121.223 0.022 0.000 2.093 233 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 233 L C 2.510 179.385 176.870 0.008 0.000 1.085 233 L CA 1.901 56.745 54.840 0.006 0.000 0.755 233 L CB -0.854 41.184 42.059 -0.035 0.000 0.904 233 L HN 0.222 nan 8.230 nan 0.000 0.435 234 S N -0.608 115.086 115.700 -0.011 0.000 2.359 234 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 234 S C 1.904 176.566 174.600 0.104 0.000 1.035 234 S CA 1.532 59.756 58.200 0.040 0.000 1.018 234 S CB -0.258 63.022 63.200 0.133 0.000 0.876 234 S HN 0.537 nan 8.310 nan 0.000 0.448 235 N N 1.103 119.879 118.700 0.127 0.000 2.309 235 N HA -0.062 4.677 4.740 -0.000 0.000 0.182 235 N C 1.663 177.242 175.510 0.114 0.000 1.018 235 N CA 1.023 54.153 53.050 0.133 0.000 0.876 235 N CB -0.499 38.079 38.487 0.151 0.000 0.972 235 N HN 0.382 nan 8.380 nan 0.000 0.434 236 L N 1.409 122.692 121.223 0.101 0.000 2.056 236 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 236 L C 1.994 178.935 176.870 0.118 0.000 1.078 236 L CA 1.185 56.091 54.840 0.110 0.000 0.749 236 L CB -0.547 41.572 42.059 0.099 0.000 0.901 236 L HN 0.026 nan 8.230 nan 0.000 0.433 237 I N -0.420 120.199 120.570 0.081 0.000 2.127 237 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 237 I C 2.475 178.626 176.117 0.056 0.000 1.075 237 I CA 1.598 62.930 61.300 0.053 0.000 1.334 237 I CB -0.405 37.614 38.000 0.032 0.000 1.040 237 I HN 0.250 nan 8.210 nan 0.000 0.405 238 K N 0.573 121.014 120.400 0.069 0.000 2.057 238 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 238 K C 2.134 178.779 176.600 0.076 0.000 1.049 238 K CA 1.336 57.659 56.287 0.060 0.000 0.931 238 K CB -0.269 32.263 32.500 0.054 0.000 0.714 238 K HN 0.284 nan 8.250 nan 0.000 0.440 239 L N 0.502 121.785 121.223 0.100 0.000 2.046 239 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 239 L C 2.587 179.520 176.870 0.105 0.000 1.077 239 L CA 1.086 55.992 54.840 0.110 0.000 0.747 239 L CB -0.539 41.582 42.059 0.103 0.000 0.896 239 L HN 0.221 nan 8.230 nan 0.000 0.432 240 A N -0.524 122.373 122.820 0.128 0.000 1.902 240 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 240 A C 2.195 179.782 177.584 0.005 0.000 1.181 240 A CA 1.566 53.661 52.037 0.098 0.000 0.623 240 A CB -0.438 18.566 19.000 0.006 0.000 0.818 240 A HN 0.496 nan 8.150 nan 0.000 0.443 241 Q N -0.601 119.208 119.800 0.014 0.000 2.224 241 Q HA -0.107 4.232 4.340 -0.000 0.000 0.203 241 Q C 1.820 177.847 176.000 0.045 0.000 0.970 241 Q CA 1.415 57.226 55.803 0.014 0.000 0.865 241 Q CB -0.114 28.636 28.738 0.020 0.000 0.922 241 Q HN 0.648 nan 8.270 nan 0.000 0.445 242 K N -0.151 120.298 120.400 0.081 0.000 2.305 242 K HA 0.033 4.353 4.320 -0.000 0.000 0.199 242 K C 0.134 176.821 176.600 0.145 0.000 1.047 242 K CA 0.542 56.915 56.287 0.143 0.000 0.976 242 K CB 0.851 33.504 32.500 0.254 0.000 0.765 242 K HN -0.088 nan 8.250 nan 0.000 0.474 243 V N 2.259 122.212 119.914 0.064 0.000 2.546 243 V HA 0.088 4.208 4.120 -0.000 0.000 0.260 243 V C -2.180 173.924 176.094 0.017 0.000 0.933 243 V CA -0.937 61.367 62.300 0.007 0.000 0.994 243 V CB 1.175 32.909 31.823 -0.149 0.000 1.160 243 V HN 0.020 nan 8.190 nan 0.000 0.523 244 P HA -0.131 nan 4.420 nan 0.000 0.228 244 P C 1.332 178.630 177.300 -0.003 0.000 1.151 244 P CA 1.481 64.563 63.100 -0.031 0.000 0.770 244 P CB 0.091 31.762 31.700 -0.048 0.000 0.786 245 T N -3.819 110.746 114.554 0.018 0.000 3.081 245 T HA 0.351 4.700 4.350 -0.000 0.000 0.255 245 T C 1.108 175.840 174.700 0.053 0.000 1.113 245 T CA 0.042 62.157 62.100 0.026 0.000 1.082 245 T CB -0.397 68.478 68.868 0.011 0.000 0.939 245 T HN 0.069 nan 8.240 nan 0.000 0.506 246 A N 1.685 124.547 122.820 0.071 0.000 2.327 246 A HA 0.466 4.786 4.320 -0.000 0.000 0.255 246 A C 0.088 177.775 177.584 0.173 0.000 1.099 246 A CA -0.489 51.587 52.037 0.066 0.000 0.801 246 A CB 0.099 19.105 19.000 0.010 0.000 1.062 246 A HN 0.441 nan 8.150 nan 0.000 0.496 247 D N -0.480 119.935 120.400 0.025 0.000 2.387 247 D HA 0.263 4.903 4.640 -0.000 0.000 0.255 247 D C 1.222 177.248 176.300 -0.457 0.000 1.081 247 D CA -0.537 53.430 54.000 -0.055 0.000 0.994 247 D CB 1.253 42.012 40.800 -0.069 0.000 1.127 247 D HN 0.328 nan 8.370 nan 0.000 0.513 248 L N 1.167 121.922 121.223 -0.780 0.000 2.079 248 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 248 L C 1.654 178.217 176.870 -0.513 0.000 1.081 248 L CA 2.010 56.196 54.840 -1.090 0.000 0.752 248 L CB -0.432 41.209 42.059 -0.697 0.000 0.896 248 L HN 0.284 nan 8.230 nan 0.000 0.433 249 E N -0.166 119.854 120.200 -0.301 0.000 2.265 249 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 249 E C 1.797 178.302 176.600 -0.158 0.000 0.996 249 E CA 1.139 57.431 56.400 -0.181 0.000 0.832 249 E CB -0.294 29.334 29.700 -0.119 0.000 0.756 249 E HN 0.582 nan 8.360 nan 0.000 0.491 250 D N -0.669 119.623 120.400 -0.180 0.000 2.137 250 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 250 D C 1.973 178.190 176.300 -0.138 0.000 0.970 250 D CA 1.502 55.418 54.000 -0.140 0.000 0.837 250 D CB 0.124 40.847 40.800 -0.128 0.000 0.981 250 D HN 0.287 nan 8.370 nan 0.000 0.475 251 V N -1.117 118.694 119.914 -0.170 0.000 2.949 251 V HA 0.052 4.172 4.120 -0.000 0.000 0.245 251 V C 2.304 178.355 176.094 -0.072 0.000 1.086 251 V CA 0.114 62.352 62.300 -0.103 0.000 1.097 251 V CB -0.559 31.239 31.823 -0.041 0.000 0.762 251 V HN -0.034 nan 8.190 nan 0.000 0.470 252 L N 1.702 122.846 121.223 -0.131 0.000 2.013 252 L HA 0.006 4.345 4.340 -0.000 0.000 0.212 252 L C -0.002 176.856 176.870 -0.021 0.000 1.073 252 L CA 2.694 57.490 54.840 -0.074 0.000 0.753 252 L CB -1.796 40.198 42.059 -0.109 0.000 0.890 252 L HN 0.261 nan 8.230 nan 0.000 0.432 253 P HA -0.162 nan 4.420 nan 0.000 0.218 253 P C 2.034 179.364 177.300 0.050 0.000 1.148 253 P CA 1.469 64.571 63.100 0.004 0.000 0.822 253 P CB -0.041 31.650 31.700 -0.016 0.000 0.784 254 L N -1.335 119.920 121.223 0.053 0.000 2.056 254 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 254 L C 2.489 179.488 176.870 0.214 0.000 1.078 254 L CA 1.516 56.443 54.840 0.144 0.000 0.749 254 L CB -1.326 40.782 42.059 0.081 0.000 0.901 254 L HN -0.057 nan 8.230 nan 0.000 0.433 255 A N -0.220 122.677 122.820 0.128 0.000 1.902 255 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 255 A C 2.245 179.890 177.584 0.102 0.000 1.181 255 A CA 1.299 53.408 52.037 0.120 0.000 0.623 255 A CB -0.305 18.749 19.000 0.089 0.000 0.818 255 A HN 0.351 nan 8.150 nan 0.000 0.443 256 E N -0.058 120.190 120.200 0.081 0.000 2.051 256 E HA -0.221 4.128 4.350 -0.000 0.000 0.192 256 E C 1.718 178.359 176.600 0.068 0.000 0.991 256 E CA 1.595 58.034 56.400 0.065 0.000 0.799 256 E CB -0.430 29.297 29.700 0.046 0.000 0.748 256 E HN 0.707 nan 8.360 nan 0.000 0.449 257 D N 0.593 121.053 120.400 0.101 0.000 2.097 257 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 257 D C 1.957 178.264 176.300 0.012 0.000 0.989 257 D CA 0.666 54.731 54.000 0.109 0.000 0.827 257 D CB -0.120 40.824 40.800 0.240 0.000 0.966 257 D HN 0.061 nan 8.370 nan 0.000 0.456 258 I N 0.083 120.628 120.570 -0.042 0.000 2.315 258 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 258 I C 2.035 178.094 176.117 -0.097 0.000 1.117 258 I CA 1.455 62.617 61.300 -0.231 0.000 1.404 258 I CB -0.652 37.238 38.000 -0.182 0.000 1.071 258 I HN -0.009 nan 8.210 nan 0.000 0.419 259 T N 1.261 115.817 114.554 0.004 0.000 2.746 259 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 259 T C 1.740 176.432 174.700 -0.012 0.000 1.039 259 T CA 1.628 63.758 62.100 0.050 0.000 1.142 259 T CB -0.384 68.554 68.868 0.117 0.000 0.866 259 T HN 0.371 nan 8.240 nan 0.000 0.444 260 N N 1.131 119.823 118.700 -0.014 0.000 2.166 260 N HA 0.048 4.787 4.740 -0.000 0.000 0.186 260 N C 1.875 177.333 175.510 -0.086 0.000 1.019 260 N CA 0.831 53.865 53.050 -0.027 0.000 0.856 260 N CB -0.383 38.100 38.487 -0.005 0.000 0.993 260 N HN 0.396 nan 8.380 nan 0.000 0.426 261 I N 0.941 121.440 120.570 -0.118 0.000 2.226 261 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 261 I C 2.015 177.993 176.117 -0.232 0.000 1.100 261 I CA 0.841 62.046 61.300 -0.159 0.000 1.374 261 I CB -0.203 37.683 38.000 -0.189 0.000 1.057 261 I HN 0.050 nan 8.210 nan 0.000 0.413 262 L N 0.348 121.379 121.223 -0.320 0.000 2.056 262 L HA -0.182 4.157 4.340 -0.000 0.000 0.207 262 L C 2.809 179.255 176.870 -0.706 0.000 1.078 262 L CA 1.673 56.181 54.840 -0.554 0.000 0.749 262 L CB -0.785 40.829 42.059 -0.743 0.000 0.901 262 L HN 0.353 nan 8.230 nan 0.000 0.433 263 S N -0.407 114.964 115.700 -0.548 0.000 2.419 263 S HA -0.231 4.238 4.470 -0.000 0.000 0.233 263 S C 1.976 176.496 174.600 -0.132 0.000 1.016 263 S CA 1.233 59.290 58.200 -0.240 0.000 0.974 263 S CB -0.206 63.021 63.200 0.044 0.000 0.786 263 S HN 0.411 nan 8.310 nan 0.000 0.492 264 K N -0.089 120.224 120.400 -0.144 0.000 2.242 264 K HA 0.161 4.481 4.320 -0.000 0.000 0.200 264 K C 0.875 177.414 176.600 -0.103 0.000 1.050 264 K CA 1.041 57.273 56.287 -0.093 0.000 0.981 264 K CB 0.042 32.498 32.500 -0.073 0.000 0.795 264 K HN 0.503 nan 8.250 nan 0.000 0.477 265 c N -0.170 118.342 118.600 -0.147 0.000 3.183 265 c HA 0.272 4.842 4.570 -0.000 0.000 0.285 265 c C 2.080 176.087 174.090 -0.139 0.000 1.313 265 c CA -0.798 55.453 56.329 -0.130 0.000 1.711 265 c CB -0.965 41.467 42.510 -0.131 0.000 2.135 265 c HN 0.569 nan 8.230 nan 0.000 0.651 266 c N 0.975 119.471 118.600 -0.174 0.000 2.448 266 c HA 0.023 4.592 4.570 -0.000 0.000 0.280 266 c C 0.934 174.975 174.090 -0.081 0.000 1.398 266 c CA 1.115 57.359 56.329 -0.142 0.000 1.774 266 c CB -0.905 41.503 42.510 -0.169 0.000 1.888 266 c HN 0.555 nan 8.230 nan 0.000 0.519 267 E N 1.108 121.268 120.200 -0.066 0.000 2.220 267 E HA 0.359 4.709 4.350 -0.000 0.000 0.256 267 E C -0.819 175.757 176.600 -0.039 0.000 0.881 267 E CA 0.249 56.623 56.400 -0.044 0.000 0.766 267 E CB 1.679 31.364 29.700 -0.025 0.000 1.187 267 E HN 0.485 nan 8.360 nan 0.000 0.419 268 S N 0.207 115.885 115.700 -0.036 0.000 2.566 268 S HA 0.572 5.042 4.470 -0.000 0.000 0.273 268 S C 0.428 175.019 174.600 -0.016 0.000 1.157 268 S CA -0.378 57.807 58.200 -0.024 0.000 0.938 268 S CB 1.696 64.880 63.200 -0.027 0.000 1.087 268 S HN 0.313 nan 8.310 nan 0.000 0.474 269 A N 2.801 125.617 122.820 -0.005 0.000 1.929 269 A HA 0.191 4.510 4.320 -0.000 0.000 0.216 269 A C 1.882 179.473 177.584 0.012 0.000 1.176 269 A CA 1.690 53.728 52.037 0.002 0.000 0.628 269 A CB -0.691 18.316 19.000 0.012 0.000 0.816 269 A HN 1.696 nan 8.150 nan 0.000 0.444 270 S N -2.463 113.247 115.700 0.016 0.000 2.648 270 S HA 0.235 4.704 4.470 -0.000 0.000 0.270 270 S C 0.075 174.686 174.600 0.019 0.000 1.082 270 S CA 0.229 58.443 58.200 0.024 0.000 1.116 270 S CB 0.052 63.275 63.200 0.037 0.000 1.040 270 S HN 0.275 nan 8.310 nan 0.000 0.572 271 E N 2.576 122.782 120.200 0.011 0.000 2.141 271 E HA 0.507 4.857 4.350 -0.000 0.000 0.259 271 E C -1.536 175.061 176.600 -0.005 0.000 0.883 271 E CA -0.357 56.047 56.400 0.006 0.000 0.744 271 E CB 1.151 30.855 29.700 0.007 0.000 1.150 271 E HN 0.327 nan 8.360 nan 0.000 0.420 272 D N 2.424 122.820 120.400 -0.006 0.000 2.308 272 D HA 0.081 4.721 4.640 -0.000 0.000 0.251 272 D C 0.436 176.720 176.300 -0.027 0.000 1.127 272 D CA -0.459 53.529 54.000 -0.021 0.000 0.876 272 D CB 0.708 41.495 40.800 -0.021 0.000 1.176 272 D HN 0.540 nan 8.370 nan 0.000 0.446 273 c N 2.634 121.207 118.600 -0.044 0.000 3.183 273 c HA 0.335 4.904 4.570 -0.000 0.000 0.285 273 c C 1.940 175.989 174.090 -0.069 0.000 1.313 273 c CA -0.598 55.703 56.329 -0.047 0.000 1.711 273 c CB -1.302 41.180 42.510 -0.046 0.000 2.135 273 c HN 0.656 nan 8.230 nan 0.000 0.651 274 M N 3.260 122.805 119.600 -0.092 0.000 2.108 274 M HA 0.039 4.519 4.480 -0.000 0.000 0.261 274 M C 2.360 178.590 176.300 -0.116 0.000 1.066 274 M CA 2.268 57.487 55.300 -0.135 0.000 1.107 274 M CB -0.633 31.868 32.600 -0.165 0.000 1.356 274 M HN 0.459 nan 8.290 nan 0.000 0.406 275 A N -0.666 122.113 122.820 -0.068 0.000 2.019 275 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 275 A C 2.093 179.678 177.584 0.001 0.000 1.164 275 A CA 1.757 53.791 52.037 -0.006 0.000 0.644 275 A CB -0.620 18.422 19.000 0.070 0.000 0.805 275 A HN 0.598 nan 8.150 nan 0.000 0.449 276 K N -0.623 119.766 120.400 -0.018 0.000 2.243 276 K HA -0.004 4.316 4.320 -0.000 0.000 0.201 276 K C 1.561 178.149 176.600 -0.020 0.000 1.051 276 K CA 1.068 57.346 56.287 -0.014 0.000 0.970 276 K CB 0.074 32.564 32.500 -0.016 0.000 0.755 276 K HN 0.482 nan 8.250 nan 0.000 0.465 277 E N 0.829 121.003 120.200 -0.042 0.000 2.162 277 E HA 0.024 4.373 4.350 -0.000 0.000 0.193 277 E C 2.142 178.721 176.600 -0.034 0.000 0.953 277 E CA 0.352 56.728 56.400 -0.041 0.000 0.849 277 E CB 0.044 29.703 29.700 -0.069 0.000 0.810 277 E HN 0.191 nan 8.360 nan 0.000 0.470 278 L N 1.272 122.440 121.223 -0.092 0.000 2.079 278 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 278 L C -0.479 176.397 176.870 0.011 0.000 1.081 278 L CA 1.423 56.194 54.840 -0.115 0.000 0.752 278 L CB -1.707 40.160 42.059 -0.320 0.000 0.896 278 L HN 0.089 nan 8.230 nan 0.000 0.433 279 P HA -0.199 nan 4.420 nan 0.000 0.215 279 P C 1.374 178.713 177.300 0.064 0.000 1.153 279 P CA 1.202 64.330 63.100 0.047 0.000 0.853 279 P CB 0.120 31.840 31.700 0.034 0.000 0.788 280 E N -1.398 118.839 120.200 0.060 0.000 2.208 280 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 280 E C 1.909 178.560 176.600 0.085 0.000 0.988 280 E CA 1.039 57.474 56.400 0.058 0.000 0.828 280 E CB -0.916 28.811 29.700 0.045 0.000 0.763 280 E HN 0.291 nan 8.360 nan 0.000 0.478 281 H N -0.645 118.449 119.070 0.040 0.000 2.421 281 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 281 H C 1.881 177.283 175.328 0.123 0.000 1.087 281 H CA 2.393 58.488 56.048 0.078 0.000 1.330 281 H CB -0.264 29.551 29.762 0.088 0.000 1.388 281 H HN 0.290 nan 8.280 nan 0.000 0.526 282 T N -2.598 112.009 114.554 0.088 0.000 2.867 282 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 282 T C 2.136 176.843 174.700 0.011 0.000 1.057 282 T CA 1.107 63.247 62.100 0.066 0.000 1.136 282 T CB -0.870 68.078 68.868 0.134 0.000 0.874 282 T HN 0.141 nan 8.240 nan 0.000 0.466 283 V N 1.796 121.717 119.914 0.011 0.000 2.307 283 V HA -0.130 3.989 4.120 -0.000 0.000 0.245 283 V C 2.820 178.902 176.094 -0.021 0.000 1.045 283 V CA 1.820 64.123 62.300 0.005 0.000 1.024 283 V CB -0.583 31.247 31.823 0.012 0.000 0.651 283 V HN 0.499 nan 8.190 nan 0.000 0.449 284 K N -0.495 119.873 120.400 -0.054 0.000 2.057 284 K HA -0.178 4.141 4.320 -0.000 0.000 0.207 284 K C 2.115 178.656 176.600 -0.099 0.000 1.049 284 K CA 1.257 57.500 56.287 -0.074 0.000 0.931 284 K CB -0.393 32.057 32.500 -0.083 0.000 0.714 284 K HN 0.184 nan 8.250 nan 0.000 0.440 285 L N 1.203 122.333 121.223 -0.155 0.000 1.989 285 L HA -0.258 4.082 4.340 -0.000 0.000 0.211 285 L C 2.383 179.261 176.870 0.015 0.000 1.071 285 L CA 1.707 56.500 54.840 -0.078 0.000 0.749 285 L CB -0.729 41.314 42.059 -0.025 0.000 0.890 285 L HN 0.270 nan 8.230 nan 0.000 0.431 286 c N -0.860 117.765 118.600 0.043 0.000 2.440 286 c HA -0.121 4.448 4.570 -0.000 0.000 0.278 286 c C 2.366 176.468 174.090 0.020 0.000 1.295 286 c CA 0.345 56.715 56.329 0.068 0.000 1.738 286 c CB -0.943 41.606 42.510 0.065 0.000 1.987 286 c HN 0.542 nan 8.230 nan 0.000 0.492 287 D N 1.257 121.655 120.400 -0.005 0.000 2.123 287 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 287 D C 1.760 178.040 176.300 -0.033 0.000 0.992 287 D CA 1.388 55.379 54.000 -0.015 0.000 0.833 287 D CB -0.508 40.280 40.800 -0.020 0.000 0.954 287 D HN 0.472 nan 8.370 nan 0.000 0.455 288 N N -0.653 118.013 118.700 -0.056 0.000 2.333 288 N HA 0.065 4.805 4.740 -0.000 0.000 0.178 288 N C 1.438 176.873 175.510 -0.125 0.000 1.018 288 N CA 0.489 53.488 53.050 -0.086 0.000 0.882 288 N CB 0.217 38.644 38.487 -0.101 0.000 0.984 288 N HN 0.222 nan 8.380 nan 0.000 0.434 289 L N -0.784 120.344 121.223 -0.159 0.000 2.878 289 L HA 0.255 4.594 4.340 -0.000 0.000 0.253 289 L C 1.692 178.498 176.870 -0.108 0.000 1.135 289 L CA 0.047 54.727 54.840 -0.268 0.000 0.943 289 L CB 0.023 41.627 42.059 -0.759 0.000 1.307 289 L HN 0.013 nan 8.230 nan 0.000 0.545 290 S N -0.254 115.460 115.700 0.025 0.000 2.420 290 S HA -0.190 4.280 4.470 -0.000 0.000 0.237 290 S C 1.765 176.401 174.600 0.061 0.000 1.023 290 S CA 1.769 60.031 58.200 0.103 0.000 0.991 290 S CB -0.839 62.411 63.200 0.084 0.000 0.792 290 S HN 0.553 nan 8.310 nan 0.000 0.488 291 T N -2.411 112.152 114.554 0.016 0.000 3.105 291 T HA 0.390 4.740 4.350 -0.000 0.000 0.253 291 T C 1.306 176.006 174.700 -0.000 0.000 1.047 291 T CA -0.527 61.580 62.100 0.011 0.000 0.944 291 T CB 0.167 69.036 68.868 0.001 0.000 1.016 291 T HN 0.112 nan 8.240 nan 0.000 0.544 292 K N 2.075 122.465 120.400 -0.016 0.000 2.128 292 K HA 0.202 4.522 4.320 -0.000 0.000 0.202 292 K C 0.537 177.142 176.600 0.008 0.000 1.050 292 K CA 0.751 57.021 56.287 -0.029 0.000 0.966 292 K CB -0.091 32.352 32.500 -0.095 0.000 0.759 292 K HN 0.730 nan 8.250 nan 0.000 0.454 293 N N -2.255 116.475 118.700 0.049 0.000 2.484 293 N HA 0.046 4.786 4.740 -0.000 0.000 0.269 293 N C 0.244 175.817 175.510 0.106 0.000 1.237 293 N CA -0.235 52.861 53.050 0.076 0.000 0.838 293 N CB 1.423 39.964 38.487 0.089 0.000 1.593 293 N HN -0.218 nan 8.380 nan 0.000 0.485 294 S N 0.765 116.509 115.700 0.073 0.000 2.372 294 S HA -0.252 4.218 4.470 -0.000 0.000 0.227 294 S C 1.209 175.851 174.600 0.069 0.000 1.044 294 S CA 1.766 60.003 58.200 0.061 0.000 1.050 294 S CB -0.372 62.851 63.200 0.039 0.000 0.901 294 S HN 0.603 nan 8.310 nan 0.000 0.447 295 K N -0.635 119.811 120.400 0.077 0.000 2.063 295 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 295 K C 1.835 178.444 176.600 0.016 0.000 1.048 295 K CA 1.726 58.037 56.287 0.040 0.000 0.928 295 K CB -0.401 32.121 32.500 0.037 0.000 0.713 295 K HN 0.402 nan 8.250 nan 0.000 0.442 296 F N 1.768 121.719 119.950 0.001 0.000 2.186 296 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 296 F C 2.575 178.375 175.800 0.000 0.000 1.090 296 F CA 1.334 59.332 58.000 -0.003 0.000 1.307 296 F CB -0.086 38.911 39.000 -0.005 0.000 1.019 296 F HN 0.152 nan 8.300 nan 0.000 0.489 297 E N 0.315 120.618 120.200 0.171 0.000 2.058 297 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 297 E C 1.666 178.296 176.600 0.050 0.000 0.997 297 E CA 1.890 58.349 56.400 0.098 0.000 0.801 297 E CB -0.128 29.616 29.700 0.073 0.000 0.746 297 E HN 0.312 nan 8.360 nan 0.000 0.450 298 D N 0.187 120.602 120.400 0.025 0.000 2.117 298 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 298 D C 2.121 178.410 176.300 -0.018 0.000 0.987 298 D CA 1.051 55.053 54.000 0.002 0.000 0.829 298 D CB -0.666 40.131 40.800 -0.005 0.000 0.961 298 D HN 0.298 nan 8.370 nan 0.000 0.460 299 c N 0.490 119.052 118.600 -0.063 0.000 2.413 299 c HA -0.146 4.424 4.570 -0.000 0.000 0.276 299 c C 2.774 176.842 174.090 -0.037 0.000 1.248 299 c CA 0.253 56.524 56.329 -0.097 0.000 1.742 299 c CB -0.864 41.491 42.510 -0.259 0.000 2.017 299 c HN 0.419 nan 8.230 nan 0.000 0.481 300 c N 0.618 119.219 118.600 0.001 0.000 2.503 300 c HA -0.037 4.532 4.570 -0.000 0.000 0.285 300 c C 2.085 176.193 174.090 0.029 0.000 1.473 300 c CA 0.783 57.133 56.329 0.036 0.000 1.708 300 c CB -2.121 40.433 42.510 0.074 0.000 1.638 300 c HN 0.662 nan 8.230 nan 0.000 0.585 301 Q N -0.081 119.731 119.800 0.019 0.000 2.217 301 Q HA 0.094 4.433 4.340 -0.000 0.000 0.217 301 Q C 0.285 176.296 176.000 0.018 0.000 0.844 301 Q CA -0.101 55.713 55.803 0.019 0.000 0.957 301 Q CB 0.499 29.247 28.738 0.017 0.000 1.127 301 Q HN 0.648 nan 8.270 nan 0.000 0.503 302 E N 1.337 121.548 120.200 0.017 0.000 2.418 302 E HA -0.073 4.277 4.350 -0.000 0.000 0.261 302 E C 0.466 177.082 176.600 0.027 0.000 1.070 302 E CA 0.266 56.678 56.400 0.021 0.000 0.931 302 E CB 0.821 30.535 29.700 0.022 0.000 0.954 302 E HN 0.086 nan 8.360 nan 0.000 0.439 303 K N 0.587 121.003 120.400 0.028 0.000 2.097 303 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 303 K C 0.828 177.448 176.600 0.033 0.000 1.049 303 K CA 1.288 57.592 56.287 0.028 0.000 0.933 303 K CB 0.187 32.703 32.500 0.027 0.000 0.717 303 K HN 0.629 nan 8.250 nan 0.000 0.442 304 T N -4.699 109.880 114.554 0.043 0.000 2.930 304 T HA 0.563 4.912 4.350 -0.000 0.000 0.290 304 T C 0.865 175.603 174.700 0.064 0.000 1.052 304 T CA -0.486 61.645 62.100 0.053 0.000 1.017 304 T CB 1.803 70.713 68.868 0.069 0.000 1.137 304 T HN 0.006 nan 8.240 nan 0.000 0.511 305 A N 1.146 124.009 122.820 0.070 0.000 1.933 305 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 305 A C 2.209 179.856 177.584 0.104 0.000 1.175 305 A CA 1.929 54.016 52.037 0.084 0.000 0.628 305 A CB -1.001 18.043 19.000 0.073 0.000 0.814 305 A HN 0.833 nan 8.150 nan 0.000 0.444 306 M N 0.233 119.884 119.600 0.084 0.000 2.117 306 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 306 M C 1.198 177.551 176.300 0.089 0.000 1.065 306 M CA 1.916 57.252 55.300 0.059 0.000 1.114 306 M CB -0.489 32.118 32.600 0.012 0.000 1.361 306 M HN 0.412 nan 8.290 nan 0.000 0.408 307 D N -0.949 119.494 120.400 0.072 0.000 2.144 307 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 307 D C 2.122 178.453 176.300 0.052 0.000 0.978 307 D CA 1.286 55.321 54.000 0.059 0.000 0.833 307 D CB -0.352 40.478 40.800 0.049 0.000 0.961 307 D HN 0.263 nan 8.370 nan 0.000 0.470 308 V N 0.936 120.890 119.914 0.066 0.000 2.307 308 V HA -0.221 3.898 4.120 -0.000 0.000 0.245 308 V C 2.168 178.284 176.094 0.036 0.000 1.045 308 V CA 1.196 63.520 62.300 0.040 0.000 1.024 308 V CB -0.541 31.320 31.823 0.064 0.000 0.651 308 V HN 0.055 nan 8.190 nan 0.000 0.449 309 F N 0.560 120.496 119.950 -0.024 0.000 2.075 309 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 309 F C 2.270 178.026 175.800 -0.074 0.000 1.113 309 F CA 1.951 59.939 58.000 -0.019 0.000 1.218 309 F CB -0.324 38.664 39.000 -0.019 0.000 0.984 309 F HN -0.058 nan 8.300 nan 0.000 0.472 310 V N -0.588 119.346 119.914 0.034 0.000 2.287 310 V HA -0.386 3.734 4.120 -0.000 0.000 0.248 310 V C 2.763 178.741 176.094 -0.194 0.000 1.053 310 V CA 1.910 64.114 62.300 -0.161 0.000 1.027 310 V CB -1.147 30.638 31.823 -0.063 0.000 0.646 310 V HN 0.731 nan 8.190 nan 0.000 0.447 311 c N 0.873 119.424 118.600 -0.081 0.000 2.413 311 c HA -0.186 4.384 4.570 -0.000 0.000 0.276 311 c C 3.285 177.265 174.090 -0.183 0.000 1.236 311 c CA 2.140 58.430 56.329 -0.064 0.000 1.735 311 c CB -1.212 41.254 42.510 -0.073 0.000 2.031 311 c HN 0.783 nan 8.230 nan 0.000 0.474 312 T N -2.255 112.113 114.554 -0.310 0.000 2.821 312 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 312 T C 1.750 176.262 174.700 -0.313 0.000 1.046 312 T CA 1.722 63.555 62.100 -0.446 0.000 1.139 312 T CB -0.946 67.641 68.868 -0.468 0.000 0.871 312 T HN 0.702 nan 8.240 nan 0.000 0.454 313 Y N 1.256 121.257 120.300 -0.499 0.000 2.181 313 Y HA 0.072 4.621 4.550 -0.000 0.000 0.288 313 Y C 1.681 177.442 175.900 -0.231 0.000 1.146 313 Y CA 0.945 58.759 58.100 -0.476 0.000 1.164 313 Y CB -0.508 37.533 38.460 -0.699 0.000 0.982 313 Y HN 0.319 nan 8.280 nan 0.000 0.515 314 F N -0.371 119.504 119.950 -0.126 0.000 2.811 314 F HA 0.040 4.567 4.527 -0.000 0.000 0.301 314 F C 1.170 176.874 175.800 -0.161 0.000 1.151 314 F CA -0.495 57.418 58.000 -0.146 0.000 1.412 314 F CB 0.003 38.996 39.000 -0.012 0.000 1.113 314 F HN -0.032 nan 8.300 nan 0.000 0.579 315 M N 2.620 122.209 119.600 -0.020 0.000 2.252 315 M HA 0.140 4.620 4.480 -0.000 0.000 0.348 315 M C -2.392 173.890 176.300 -0.030 0.000 1.334 315 M CA -1.586 53.686 55.300 -0.047 0.000 1.071 315 M CB 0.605 33.132 32.600 -0.122 0.000 1.763 315 M HN -0.250 nan 8.290 nan 0.000 0.452 316 P HA 0.256 nan 4.420 nan 0.000 0.276 316 P C -1.440 175.870 177.300 0.018 0.000 1.261 316 P CA -0.531 62.567 63.100 -0.003 0.000 0.800 316 P CB 0.535 32.232 31.700 -0.005 0.000 1.066 317 A N 0.963 123.800 122.820 0.027 0.000 2.511 317 A HA 0.447 4.766 4.320 -0.000 0.000 0.242 317 A C 0.528 178.141 177.584 0.047 0.000 1.069 317 A CA 0.219 52.282 52.037 0.044 0.000 0.763 317 A CB -0.809 18.226 19.000 0.058 0.000 1.001 317 A HN 0.585 nan 8.150 nan 0.000 0.498 318 A N 1.828 124.676 122.820 0.047 0.000 2.257 318 A HA 0.564 4.883 4.320 -0.000 0.000 0.289 318 A C 0.432 178.030 177.584 0.024 0.000 1.095 318 A CA -0.476 51.582 52.037 0.036 0.000 0.836 318 A CB 0.152 19.178 19.000 0.043 0.000 1.111 318 A HN 0.982 nan 8.150 nan 0.000 0.497 319 Q N 0.428 120.230 119.800 0.004 0.000 2.255 319 Q HA 0.278 4.617 4.340 -0.000 0.000 0.280 319 Q C -1.006 174.984 176.000 -0.016 0.000 1.068 319 Q CA 0.866 56.656 55.803 -0.021 0.000 0.911 319 Q CB -0.312 28.407 28.738 -0.031 0.000 1.157 319 Q HN 0.469 nan 8.270 nan 0.000 0.380 320 L N 7.010 128.220 121.223 -0.021 0.000 2.350 320 L HA 0.481 4.820 4.340 -0.000 0.000 0.275 320 L C -1.783 175.068 176.870 -0.032 0.000 1.099 320 L CA -2.223 52.603 54.840 -0.022 0.000 0.808 320 L CB 0.807 42.861 42.059 -0.009 0.000 1.149 320 L HN 0.645 nan 8.230 nan 0.000 0.442 321 P HA 0.127 nan 4.420 nan 0.000 0.274 321 P C -1.031 176.251 177.300 -0.030 0.000 1.246 321 P CA -0.521 62.561 63.100 -0.029 0.000 0.795 321 P CB 0.511 32.195 31.700 -0.026 0.000 1.006 322 E N 1.150 121.336 120.200 -0.025 0.000 2.129 322 E HA 0.309 4.659 4.350 -0.000 0.000 0.283 322 E C -0.506 176.083 176.600 -0.019 0.000 1.080 322 E CA -0.116 56.272 56.400 -0.021 0.000 0.867 322 E CB 0.133 29.823 29.700 -0.017 0.000 1.056 322 E HN 0.287 nan 8.360 nan 0.000 0.404 323 L N 3.636 124.846 121.223 -0.022 0.000 2.350 323 L HA 0.534 4.874 4.340 -0.000 0.000 0.260 323 L C -2.119 174.743 176.870 -0.014 0.000 1.015 323 L CA -2.427 52.400 54.840 -0.020 0.000 0.821 323 L CB 1.169 43.208 42.059 -0.034 0.000 1.370 323 L HN 0.328 nan 8.230 nan 0.000 0.416 324 P HA 0.043 nan 4.420 nan 0.000 0.271 324 P C -0.881 176.420 177.300 0.002 0.000 1.238 324 P CA -0.294 62.806 63.100 0.000 0.000 0.794 324 P CB 0.434 32.137 31.700 0.005 0.000 0.959 325 D N -0.652 119.755 120.400 0.011 0.000 2.377 325 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 325 D C -1.060 175.260 176.300 0.033 0.000 1.196 325 D CA -0.038 53.974 54.000 0.020 0.000 0.962 325 D CB 1.128 41.945 40.800 0.028 0.000 1.127 325 D HN -0.004 nan 8.370 nan 0.000 0.471 326 V N 1.985 121.934 119.914 0.059 0.000 2.577 326 V HA 0.246 4.366 4.120 -0.000 0.000 0.303 326 V C -0.681 175.520 176.094 0.177 0.000 1.042 326 V CA -0.666 61.697 62.300 0.105 0.000 0.872 326 V CB 1.744 33.625 31.823 0.096 0.000 0.998 326 V HN 0.444 nan 8.190 nan 0.000 0.423 327 E N 4.402 124.676 120.200 0.124 0.000 2.345 327 E HA 0.400 4.750 4.350 -0.000 0.000 0.259 327 E C -0.202 176.393 176.600 -0.008 0.000 1.117 327 E CA -0.404 56.036 56.400 0.068 0.000 0.913 327 E CB 1.289 30.991 29.700 0.003 0.000 1.057 327 E HN 0.700 nan 8.360 nan 0.000 0.432 328 L N 2.957 124.079 121.223 -0.169 0.000 2.483 328 L HA 0.067 4.406 4.340 -0.000 0.000 0.276 328 L C -1.583 175.030 176.870 -0.428 0.000 1.213 328 L CA -1.254 53.280 54.840 -0.511 0.000 0.843 328 L CB 0.022 41.894 42.059 -0.311 0.000 1.107 328 L HN 0.201 nan 8.230 nan 0.000 0.487 329 P HA 0.031 nan 4.420 nan 0.000 0.237 329 P C -0.055 177.016 177.300 -0.382 0.000 1.788 329 P CA -0.329 62.569 63.100 -0.335 0.000 1.061 329 P CB -0.510 31.038 31.700 -0.253 0.000 1.967 330 T N 0.094 114.391 114.554 -0.429 0.000 4.058 330 T HA 0.272 4.621 4.350 -0.000 0.000 0.252 330 T C 0.209 174.173 174.700 -1.227 0.000 1.264 330 T CA -0.646 61.020 62.100 -0.723 0.000 1.094 330 T CB -1.228 67.442 68.868 -0.328 0.000 1.316 330 T HN 0.376 nan 8.240 nan 0.000 0.872 331 N N -1.284 116.688 118.700 -1.212 0.000 2.525 331 N HA 0.429 5.169 4.740 -0.000 0.000 0.270 331 N C 0.368 175.605 175.510 -0.454 0.000 1.321 331 N CA -1.282 51.276 53.050 -0.821 0.000 0.797 331 N CB 1.460 39.737 38.487 -0.350 0.000 1.529 331 N HN -0.117 nan 8.380 nan 0.000 0.491 332 K N -0.365 120.006 120.400 -0.048 0.000 2.281 332 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 332 K C 0.295 176.938 176.600 0.072 0.000 1.046 332 K CA 1.363 57.746 56.287 0.160 0.000 0.938 332 K CB -0.381 32.202 32.500 0.139 0.000 0.737 332 K HN 0.576 nan 8.250 nan 0.000 0.458 333 D N -0.466 119.933 120.400 -0.001 0.000 2.263 333 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 333 D C 1.449 177.759 176.300 0.017 0.000 0.971 333 D CA 1.314 55.316 54.000 0.004 0.000 0.867 333 D CB 0.051 40.841 40.800 -0.016 0.000 0.929 333 D HN 0.257 nan 8.370 nan 0.000 0.492 334 V N -1.841 118.087 119.914 0.023 0.000 3.573 334 V HA -0.021 4.099 4.120 -0.000 0.000 0.270 334 V C 1.885 178.022 176.094 0.072 0.000 1.221 334 V CA 0.355 62.680 62.300 0.041 0.000 1.163 334 V CB -0.925 30.920 31.823 0.036 0.000 0.847 334 V HN 0.094 nan 8.190 nan 0.000 0.468 335 c N 0.863 119.516 118.600 0.088 0.000 2.522 335 c HA 0.194 4.763 4.570 -0.000 0.000 0.271 335 c C 0.973 175.088 174.090 0.042 0.000 1.425 335 c CA 0.398 56.773 56.329 0.076 0.000 1.751 335 c CB -1.490 41.074 42.510 0.090 0.000 1.775 335 c HN 0.747 nan 8.230 nan 0.000 0.557 336 D N 0.150 120.571 120.400 0.034 0.000 2.392 336 D HA 0.262 4.902 4.640 -0.000 0.000 0.228 336 D C -1.858 174.454 176.300 0.020 0.000 1.074 336 D CA -1.918 52.096 54.000 0.023 0.000 0.838 336 D CB 1.224 42.036 40.800 0.020 0.000 1.067 336 D HN -0.021 nan 8.370 nan 0.000 0.511 337 P HA 0.065 nan 4.420 nan 0.000 0.228 337 P C 1.309 178.617 177.300 0.013 0.000 1.151 337 P CA 0.463 63.571 63.100 0.014 0.000 0.770 337 P CB 0.350 32.056 31.700 0.010 0.000 0.786 338 G N -0.262 108.546 108.800 0.012 0.000 2.470 338 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.220 338 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.220 338 G C 0.412 175.319 174.900 0.012 0.000 1.121 338 G CA 0.366 45.473 45.100 0.011 0.000 0.766 338 G HN 0.471 nan 8.290 nan 0.000 0.553 339 N N -2.087 116.621 118.700 0.014 0.000 2.371 339 N HA 0.343 5.082 4.740 -0.000 0.000 0.280 339 N C -0.196 175.325 175.510 0.018 0.000 1.084 339 N CA -0.104 52.954 53.050 0.014 0.000 0.892 339 N CB 1.263 39.757 38.487 0.011 0.000 1.653 339 N HN -0.109 nan 8.380 nan 0.000 0.480 340 T N -1.660 112.906 114.554 0.019 0.000 3.215 340 T HA 0.241 4.591 4.350 -0.000 0.000 0.271 340 T C 0.764 175.482 174.700 0.029 0.000 1.012 340 T CA -0.352 61.763 62.100 0.026 0.000 0.899 340 T CB -0.211 68.674 68.868 0.028 0.000 1.089 340 T HN 0.523 nan 8.240 nan 0.000 0.552 341 K N 1.112 121.524 120.400 0.020 0.000 2.034 341 K HA -0.133 4.187 4.320 -0.000 0.000 0.214 341 K C 2.005 178.625 176.600 0.033 0.000 1.051 341 K CA 1.775 58.073 56.287 0.018 0.000 0.931 341 K CB -0.702 31.803 32.500 0.008 0.000 0.715 341 K HN 0.257 nan 8.250 nan 0.000 0.446 342 V N 1.209 121.143 119.914 0.033 0.000 2.427 342 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 342 V C 2.254 178.398 176.094 0.084 0.000 1.051 342 V CA 1.703 64.030 62.300 0.044 0.000 1.048 342 V CB -0.411 31.420 31.823 0.013 0.000 0.666 342 V HN 0.331 nan 8.190 nan 0.000 0.456 343 M N -0.348 119.299 119.600 0.078 0.000 2.254 343 M HA -0.111 4.368 4.480 -0.000 0.000 0.265 343 M C 1.860 178.249 176.300 0.148 0.000 1.066 343 M CA 1.375 56.748 55.300 0.121 0.000 1.123 343 M CB -0.373 32.276 32.600 0.080 0.000 1.388 343 M HN 0.323 nan 8.290 nan 0.000 0.425 344 D N 0.315 120.775 120.400 0.100 0.000 2.123 344 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 344 D C 1.826 178.202 176.300 0.126 0.000 0.976 344 D CA 1.159 55.214 54.000 0.091 0.000 0.831 344 D CB -0.250 40.578 40.800 0.047 0.000 0.974 344 D HN 0.145 nan 8.370 nan 0.000 0.469 345 K N 0.490 120.962 120.400 0.121 0.000 2.026 345 K HA -0.207 4.112 4.320 -0.000 0.000 0.208 345 K C 2.179 178.902 176.600 0.206 0.000 1.048 345 K CA 1.066 57.446 56.287 0.156 0.000 0.929 345 K CB -0.863 31.704 32.500 0.112 0.000 0.713 345 K HN 0.167 nan 8.250 nan 0.000 0.439 346 Y N 1.087 121.433 120.300 0.077 0.000 2.200 346 Y HA -0.152 4.398 4.550 -0.000 0.000 0.290 346 Y C 1.909 177.843 175.900 0.057 0.000 1.137 346 Y CA 2.314 60.446 58.100 0.053 0.000 1.163 346 Y CB -0.660 37.812 38.460 0.020 0.000 0.988 346 Y HN 0.132 nan 8.280 nan 0.000 0.518 347 T N 1.008 115.534 114.554 -0.046 0.000 2.746 347 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 347 T C 1.542 176.181 174.700 -0.101 0.000 1.039 347 T CA 1.650 63.675 62.100 -0.124 0.000 1.142 347 T CB -0.803 68.085 68.868 0.034 0.000 0.866 347 T HN 0.467 nan 8.240 nan 0.000 0.444 348 F N 2.458 122.341 119.950 -0.111 0.000 2.075 348 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 348 F C 2.341 178.074 175.800 -0.110 0.000 1.113 348 F CA 1.338 59.288 58.000 -0.083 0.000 1.218 348 F CB -0.284 38.689 39.000 -0.045 0.000 0.984 348 F HN -0.031 nan 8.300 nan 0.000 0.472 349 E N 0.474 120.541 120.200 -0.221 0.000 2.077 349 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 349 E C 2.232 178.625 176.600 -0.345 0.000 0.989 349 E CA 1.267 57.483 56.400 -0.307 0.000 0.800 349 E CB -0.974 28.675 29.700 -0.086 0.000 0.746 349 E HN 0.460 nan 8.360 nan 0.000 0.452 350 L N 0.935 121.901 121.223 -0.428 0.000 2.027 350 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 350 L C 2.209 178.923 176.870 -0.259 0.000 1.074 350 L CA 1.669 56.278 54.840 -0.385 0.000 0.745 350 L CB -0.621 41.080 42.059 -0.597 0.000 0.898 350 L HN -0.075 nan 8.230 nan 0.000 0.433 351 S N 0.009 115.551 115.700 -0.264 0.000 2.370 351 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 351 S C 1.873 176.349 174.600 -0.205 0.000 1.033 351 S CA 1.597 59.684 58.200 -0.188 0.000 1.011 351 S CB -0.458 62.654 63.200 -0.147 0.000 0.852 351 S HN 0.634 nan 8.310 nan 0.000 0.457 352 R N 1.788 122.084 120.500 -0.341 0.000 2.236 352 R HA 0.079 4.418 4.340 -0.000 0.000 0.208 352 R C 1.805 177.995 176.300 -0.183 0.000 1.036 352 R CA 0.961 56.880 56.100 -0.302 0.000 1.001 352 R CB -0.229 29.766 30.300 -0.508 0.000 0.896 352 R HN 0.435 nan 8.270 nan 0.000 0.464 353 R N -0.316 120.086 120.500 -0.163 0.000 2.476 353 R HA 0.213 4.553 4.340 -0.000 0.000 0.276 353 R C -0.666 175.605 176.300 -0.047 0.000 0.941 353 R CA -0.187 55.858 56.100 -0.093 0.000 1.088 353 R CB 0.640 30.885 30.300 -0.092 0.000 1.216 353 R HN -0.104 nan 8.270 nan 0.000 0.533 354 T N 1.912 116.436 114.554 -0.049 0.000 2.788 354 T HA 0.103 4.453 4.350 -0.000 0.000 0.296 354 T C -1.069 173.644 174.700 0.021 0.000 1.009 354 T CA -0.433 61.661 62.100 -0.010 0.000 0.949 354 T CB 0.944 69.796 68.868 -0.026 0.000 0.946 354 T HN 0.199 nan 8.240 nan 0.000 0.453 355 H N 4.884 123.930 119.070 -0.039 0.000 3.232 355 H HA 0.430 4.985 4.556 -0.000 0.000 0.254 355 H C -1.025 174.275 175.328 -0.048 0.000 1.213 355 H CA -0.139 55.887 56.048 -0.038 0.000 1.503 355 H CB 0.004 29.746 29.762 -0.033 0.000 1.563 355 H HN 0.322 nan 8.280 nan 0.000 0.490 356 L N 7.315 128.340 121.223 -0.329 0.000 2.591 356 L HA 0.348 4.688 4.340 -0.000 0.000 0.257 356 L C -2.758 174.009 176.870 -0.173 0.000 0.935 356 L CA -1.558 53.091 54.840 -0.319 0.000 0.873 356 L CB 2.285 44.256 42.059 -0.146 0.000 1.397 356 L HN 0.424 nan 8.230 nan 0.000 0.414 357 P HA 0.130 nan 4.420 nan 0.000 0.269 357 P C 0.106 177.499 177.300 0.157 0.000 1.215 357 P CA -0.051 63.076 63.100 0.045 0.000 0.780 357 P CB 0.597 32.382 31.700 0.142 0.000 0.898 358 E N 2.283 122.555 120.200 0.119 0.000 2.110 358 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 358 E C 1.481 178.189 176.600 0.180 0.000 0.988 358 E CA 1.868 58.344 56.400 0.127 0.000 0.804 358 E CB -0.402 29.359 29.700 0.101 0.000 0.745 358 E HN 0.265 nan 8.360 nan 0.000 0.458 359 V N -1.099 118.938 119.914 0.205 0.000 2.469 359 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 359 V C 2.305 178.499 176.094 0.167 0.000 1.064 359 V CA 1.726 64.137 62.300 0.185 0.000 1.066 359 V CB -1.192 30.695 31.823 0.107 0.000 0.667 359 V HN 0.026 nan 8.190 nan 0.000 0.461 360 F N 0.361 120.410 119.950 0.165 0.000 2.098 360 F HA 0.122 4.649 4.527 -0.000 0.000 0.294 360 F C 2.250 178.219 175.800 0.281 0.000 1.107 360 F CA 1.746 59.928 58.000 0.302 0.000 1.234 360 F CB -0.532 38.614 39.000 0.243 0.000 1.002 360 F HN 0.034 nan 8.300 nan 0.000 0.472 361 L N -0.935 120.501 121.223 0.355 0.000 2.012 361 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 361 L C 2.476 179.370 176.870 0.040 0.000 1.073 361 L CA 1.457 56.397 54.840 0.167 0.000 0.748 361 L CB -0.870 41.246 42.059 0.095 0.000 0.891 361 L HN 0.054 nan 8.230 nan 0.000 0.431 362 S N -0.631 115.079 115.700 0.017 0.000 2.382 362 S HA -0.218 4.252 4.470 -0.000 0.000 0.228 362 S C 1.960 176.484 174.600 -0.127 0.000 1.027 362 S CA 1.356 59.488 58.200 -0.112 0.000 0.991 362 S CB -0.162 62.897 63.200 -0.234 0.000 0.823 362 S HN 0.338 nan 8.310 nan 0.000 0.469 363 K N 0.831 121.197 120.400 -0.056 0.000 2.057 363 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 363 K C 2.021 178.484 176.600 -0.229 0.000 1.050 363 K CA 1.190 57.425 56.287 -0.087 0.000 0.935 363 K CB -0.272 32.230 32.500 0.003 0.000 0.715 363 K HN 0.228 nan 8.250 nan 0.000 0.439 364 V N 1.173 120.849 119.914 -0.397 0.000 2.649 364 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 364 V C 2.005 177.943 176.094 -0.260 0.000 1.054 364 V CA 0.877 62.828 62.300 -0.582 0.000 1.073 364 V CB -0.086 31.069 31.823 -1.113 0.000 0.699 364 V HN 0.316 nan 8.190 nan 0.000 0.463 365 L N 0.202 121.337 121.223 -0.147 0.000 2.083 365 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 365 L C 2.482 179.316 176.870 -0.060 0.000 1.083 365 L CA 2.113 56.921 54.840 -0.054 0.000 0.752 365 L CB -0.502 41.547 42.059 -0.016 0.000 0.899 365 L HN 0.507 nan 8.230 nan 0.000 0.433 366 E N 0.847 120.989 120.200 -0.096 0.000 2.012 366 E HA -0.225 4.124 4.350 -0.000 0.000 0.197 366 E C -0.601 175.959 176.600 -0.066 0.000 1.007 366 E CA 1.860 58.210 56.400 -0.084 0.000 0.816 366 E CB -0.711 28.928 29.700 -0.100 0.000 0.762 366 E HN 0.288 nan 8.360 nan 0.000 0.451 367 P HA -0.074 nan 4.420 nan 0.000 0.219 367 P C 1.263 178.532 177.300 -0.051 0.000 1.150 367 P CA 1.289 64.352 63.100 -0.062 0.000 0.814 367 P CB -0.041 31.617 31.700 -0.070 0.000 0.787 368 T N 1.054 115.573 114.554 -0.059 0.000 2.708 368 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 368 T C 1.971 176.657 174.700 -0.023 0.000 1.037 368 T CA 1.151 63.228 62.100 -0.039 0.000 1.146 368 T CB -0.753 68.096 68.868 -0.031 0.000 0.865 368 T HN 0.065 nan 8.240 nan 0.000 0.435 369 L N 0.739 121.954 121.223 -0.014 0.000 2.141 369 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 369 L C 2.667 179.537 176.870 -0.001 0.000 1.094 369 L CA 1.178 56.016 54.840 -0.003 0.000 0.763 369 L CB -0.477 41.591 42.059 0.014 0.000 0.908 369 L HN 0.242 nan 8.230 nan 0.000 0.437 370 K N -0.121 120.271 120.400 -0.012 0.000 2.057 370 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 370 K C 2.384 178.977 176.600 -0.012 0.000 1.049 370 K CA 1.629 57.908 56.287 -0.013 0.000 0.931 370 K CB -0.053 32.433 32.500 -0.022 0.000 0.714 370 K HN 0.074 nan 8.250 nan 0.000 0.440 371 S N 0.770 116.462 115.700 -0.013 0.000 2.356 371 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 371 S C 1.939 176.539 174.600 0.001 0.000 1.032 371 S CA 1.137 59.330 58.200 -0.012 0.000 1.005 371 S CB -0.260 62.933 63.200 -0.012 0.000 0.867 371 S HN 0.373 nan 8.310 nan 0.000 0.449 372 L N 0.721 121.962 121.223 0.030 0.000 2.083 372 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 372 L C 2.723 179.650 176.870 0.095 0.000 1.083 372 L CA 1.165 56.071 54.840 0.109 0.000 0.752 372 L CB -0.908 41.221 42.059 0.117 0.000 0.899 372 L HN 0.487 nan 8.230 nan 0.000 0.433 373 G N -0.676 108.150 108.800 0.043 0.000 2.509 373 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 373 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 373 G C 1.289 176.169 174.900 -0.034 0.000 1.124 373 G CA 0.170 45.282 45.100 0.021 0.000 0.776 373 G HN 0.426 nan 8.290 nan 0.000 0.547 374 E N -0.802 119.364 120.200 -0.056 0.000 2.511 374 E HA 0.020 4.370 4.350 -0.000 0.000 0.196 374 E C 1.438 177.947 176.600 -0.152 0.000 1.066 374 E CA -0.183 56.167 56.400 -0.082 0.000 0.871 374 E CB 0.004 29.665 29.700 -0.065 0.000 0.863 374 E HN 0.383 nan 8.360 nan 0.000 0.520 375 c N -0.480 117.969 118.600 -0.251 0.000 2.791 375 c HA 0.100 4.670 4.570 -0.000 0.000 0.270 375 c C 2.224 176.052 174.090 -0.436 0.000 1.257 375 c CA -0.447 55.587 56.329 -0.491 0.000 1.699 375 c CB -0.907 40.948 42.510 -1.092 0.000 1.904 375 c HN 0.628 nan 8.230 nan 0.000 0.603 376 c N -0.453 118.015 118.600 -0.219 0.000 2.544 376 c HA -0.013 4.557 4.570 -0.000 0.000 0.280 376 c C 1.454 175.495 174.090 -0.083 0.000 1.295 376 c CA 0.940 57.203 56.329 -0.110 0.000 1.702 376 c CB -0.905 41.589 42.510 -0.027 0.000 2.090 376 c HN 0.546 nan 8.230 nan 0.000 0.493 377 D N 1.243 121.599 120.400 -0.073 0.000 3.057 377 D HA 0.306 4.946 4.640 -0.000 0.000 0.246 377 D C -0.081 176.181 176.300 -0.063 0.000 1.238 377 D CA 0.224 54.192 54.000 -0.054 0.000 0.949 377 D CB -0.104 40.672 40.800 -0.039 0.000 1.086 377 D HN 0.375 nan 8.370 nan 0.000 0.487 378 V N -2.219 117.649 119.914 -0.077 0.000 3.141 378 V HA 0.469 4.588 4.120 -0.000 0.000 0.312 378 V C 1.365 177.424 176.094 -0.058 0.000 1.157 378 V CA -0.863 61.392 62.300 -0.074 0.000 1.041 378 V CB 1.947 33.708 31.823 -0.104 0.000 1.071 378 V HN 0.022 nan 8.190 nan 0.000 0.441 379 E N 0.211 120.383 120.200 -0.047 0.000 2.077 379 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 379 E C 0.193 176.773 176.600 -0.034 0.000 0.989 379 E CA 1.653 58.033 56.400 -0.034 0.000 0.800 379 E CB 0.235 29.919 29.700 -0.027 0.000 0.746 379 E HN 0.856 nan 8.360 nan 0.000 0.452 380 D N -0.604 119.769 120.400 -0.045 0.000 2.420 380 D HA 0.146 4.786 4.640 -0.000 0.000 0.255 380 D C -0.090 176.169 176.300 -0.069 0.000 1.185 380 D CA -0.132 53.845 54.000 -0.038 0.000 0.904 380 D CB 1.389 42.174 40.800 -0.025 0.000 1.102 380 D HN -0.090 nan 8.370 nan 0.000 0.534 381 S N 1.109 116.765 115.700 -0.074 0.000 2.368 381 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 381 S C 1.879 176.431 174.600 -0.079 0.000 1.030 381 S CA 1.234 59.337 58.200 -0.162 0.000 0.999 381 S CB 0.161 63.311 63.200 -0.083 0.000 0.844 381 S HN 0.543 nan 8.310 nan 0.000 0.459 382 T N 1.896 116.492 114.554 0.070 0.000 2.720 382 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 382 T C 2.035 176.788 174.700 0.088 0.000 1.037 382 T CA 1.766 63.953 62.100 0.146 0.000 1.144 382 T CB -0.661 68.264 68.868 0.096 0.000 0.864 382 T HN 0.449 nan 8.240 nan 0.000 0.444 383 T N 0.871 115.438 114.554 0.020 0.000 2.746 383 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 383 T C 2.257 176.948 174.700 -0.015 0.000 1.039 383 T CA 1.219 63.322 62.100 0.004 0.000 1.142 383 T CB -0.822 68.038 68.868 -0.014 0.000 0.866 383 T HN 0.513 nan 8.240 nan 0.000 0.444 384 c N 0.652 119.201 118.600 -0.085 0.000 2.432 384 c HA -0.069 4.501 4.570 -0.000 0.000 0.277 384 c C 2.377 176.405 174.090 -0.103 0.000 1.249 384 c CA 0.478 56.717 56.329 -0.150 0.000 1.725 384 c CB -1.701 40.632 42.510 -0.295 0.000 2.028 384 c HN 0.592 nan 8.230 nan 0.000 0.477 385 F N 1.410 121.347 119.950 -0.021 0.000 2.126 385 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 385 F C 2.406 178.191 175.800 -0.024 0.000 1.096 385 F CA 1.752 59.737 58.000 -0.026 0.000 1.255 385 F CB -0.471 38.512 39.000 -0.028 0.000 0.997 385 F HN 0.311 nan 8.300 nan 0.000 0.479 386 N N 0.333 119.138 118.700 0.175 0.000 2.289 386 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 386 N C 1.783 177.327 175.510 0.057 0.000 1.016 386 N CA 1.184 54.289 53.050 0.092 0.000 0.872 386 N CB -0.440 38.086 38.487 0.064 0.000 0.973 386 N HN 0.288 nan 8.380 nan 0.000 0.433 387 A N 0.975 123.821 122.820 0.043 0.000 1.935 387 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 387 A C 2.164 179.762 177.584 0.024 0.000 1.178 387 A CA 0.862 52.911 52.037 0.021 0.000 0.640 387 A CB -0.041 18.959 19.000 -0.000 0.000 0.825 387 A HN 0.122 nan 8.150 nan 0.000 0.447 388 K N -0.548 119.873 120.400 0.035 0.000 2.076 388 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 388 K C 2.155 178.783 176.600 0.047 0.000 1.051 388 K CA 0.691 57.000 56.287 0.037 0.000 0.949 388 K CB -0.394 32.131 32.500 0.042 0.000 0.726 388 K HN 0.416 nan 8.250 nan 0.000 0.443 389 G N 2.713 111.554 108.800 0.069 0.000 2.681 389 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 389 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 389 G C -1.034 173.880 174.900 0.023 0.000 1.210 389 G CA 1.137 46.262 45.100 0.041 0.000 0.783 389 G HN 0.246 nan 8.290 nan 0.000 0.609 390 P HA -0.045 nan 4.420 nan 0.000 0.215 390 P C 2.154 179.466 177.300 0.021 0.000 1.153 390 P CA 0.837 63.948 63.100 0.020 0.000 0.853 390 P CB -0.155 31.556 31.700 0.019 0.000 0.788 391 L N -1.584 119.651 121.223 0.020 0.000 1.994 391 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 391 L C 2.511 179.393 176.870 0.021 0.000 1.071 391 L CA 1.427 56.279 54.840 0.019 0.000 0.745 391 L CB -1.103 40.965 42.059 0.015 0.000 0.892 391 L HN -0.045 nan 8.230 nan 0.000 0.431 392 L N -0.085 121.148 121.223 0.018 0.000 2.083 392 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 392 L C 2.726 179.609 176.870 0.022 0.000 1.083 392 L CA 1.268 56.116 54.840 0.014 0.000 0.752 392 L CB -0.476 41.586 42.059 0.004 0.000 0.899 392 L HN 0.292 nan 8.230 nan 0.000 0.433 393 K N 0.764 121.176 120.400 0.021 0.000 2.057 393 K HA -0.251 4.069 4.320 -0.000 0.000 0.207 393 K C 2.252 178.879 176.600 0.046 0.000 1.049 393 K CA 1.543 57.849 56.287 0.032 0.000 0.931 393 K CB 0.014 32.529 32.500 0.024 0.000 0.714 393 K HN 0.108 nan 8.250 nan 0.000 0.440 394 K N 0.808 121.232 120.400 0.040 0.000 2.025 394 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 394 K C 1.755 178.392 176.600 0.061 0.000 1.049 394 K CA 1.873 58.188 56.287 0.046 0.000 0.933 394 K CB -0.002 32.520 32.500 0.036 0.000 0.714 394 K HN 0.246 nan 8.250 nan 0.000 0.438 395 E N 0.682 120.916 120.200 0.058 0.000 2.110 395 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 395 E C 2.045 178.711 176.600 0.110 0.000 0.988 395 E CA 1.045 57.489 56.400 0.074 0.000 0.804 395 E CB -0.138 29.591 29.700 0.048 0.000 0.745 395 E HN 0.196 nan 8.360 nan 0.000 0.458 396 L N 1.403 122.680 121.223 0.090 0.000 2.027 396 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 396 L C 2.427 179.402 176.870 0.175 0.000 1.074 396 L CA 2.279 57.191 54.840 0.120 0.000 0.745 396 L CB -0.719 41.397 42.059 0.096 0.000 0.898 396 L HN 0.101 nan 8.230 nan 0.000 0.433 397 S N -2.140 113.635 115.700 0.126 0.000 2.382 397 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 397 S C 2.191 176.860 174.600 0.116 0.000 1.027 397 S CA 1.388 59.655 58.200 0.111 0.000 0.991 397 S CB -1.084 62.161 63.200 0.076 0.000 0.823 397 S HN 0.540 nan 8.310 nan 0.000 0.469 398 S N 0.735 116.507 115.700 0.120 0.000 2.368 398 S HA -0.084 4.385 4.470 -0.000 0.000 0.225 398 S C 1.492 176.174 174.600 0.137 0.000 1.030 398 S CA 1.194 59.457 58.200 0.105 0.000 0.999 398 S CB -0.772 62.487 63.200 0.098 0.000 0.844 398 S HN 0.615 nan 8.310 nan 0.000 0.459 399 F N 1.825 121.809 119.950 0.058 0.000 2.102 399 F HA 0.000 4.527 4.527 -0.000 0.000 0.298 399 F C 1.914 177.767 175.800 0.088 0.000 1.105 399 F CA 1.691 59.742 58.000 0.086 0.000 1.239 399 F CB -0.347 38.711 39.000 0.095 0.000 0.991 399 F HN 0.211 nan 8.300 nan 0.000 0.474 400 I N 0.338 121.089 120.570 0.302 0.000 2.208 400 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 400 I C 2.036 178.140 176.117 -0.022 0.000 1.097 400 I CA 1.496 62.882 61.300 0.142 0.000 1.363 400 I CB -0.659 37.438 38.000 0.161 0.000 1.051 400 I HN 0.165 nan 8.210 nan 0.000 0.413 401 D N 1.243 121.646 120.400 0.006 0.000 2.104 401 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 401 D C 2.179 178.437 176.300 -0.070 0.000 0.994 401 D CA 1.393 55.381 54.000 -0.020 0.000 0.830 401 D CB -0.208 40.596 40.800 0.006 0.000 0.959 401 D HN 0.354 nan 8.370 nan 0.000 0.452 402 K N 0.281 120.624 120.400 -0.096 0.000 2.057 402 K HA -0.068 4.251 4.320 -0.000 0.000 0.207 402 K C 2.260 178.748 176.600 -0.186 0.000 1.049 402 K CA 1.185 57.400 56.287 -0.120 0.000 0.931 402 K CB -0.397 32.028 32.500 -0.124 0.000 0.714 402 K HN 0.109 nan 8.250 nan 0.000 0.440 403 G N 1.580 110.184 108.800 -0.327 0.000 2.446 403 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 403 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 403 G C 1.361 175.967 174.900 -0.490 0.000 1.168 403 G CA 0.622 45.368 45.100 -0.590 0.000 0.771 403 G HN 0.339 nan 8.290 nan 0.000 0.551 404 Q N -0.366 119.261 119.800 -0.289 0.000 2.224 404 Q HA -0.042 4.297 4.340 -0.000 0.000 0.203 404 Q C 2.375 178.325 176.000 -0.084 0.000 0.970 404 Q CA 0.904 56.604 55.803 -0.172 0.000 0.865 404 Q CB -0.062 28.633 28.738 -0.072 0.000 0.922 404 Q HN 0.557 nan 8.270 nan 0.000 0.445 405 E N 1.015 121.169 120.200 -0.077 0.000 2.112 405 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 405 E C 1.939 178.544 176.600 0.007 0.000 0.979 405 E CA 0.547 56.934 56.400 -0.020 0.000 0.814 405 E CB 0.084 29.770 29.700 -0.025 0.000 0.762 405 E HN 0.362 nan 8.360 nan 0.000 0.460 406 L N 0.019 121.229 121.223 -0.021 0.000 2.093 406 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 406 L C 2.336 179.298 176.870 0.154 0.000 1.085 406 L CA 0.826 55.714 54.840 0.080 0.000 0.755 406 L CB -0.101 42.038 42.059 0.134 0.000 0.904 406 L HN 0.232 nan 8.230 nan 0.000 0.435 407 c N -0.122 118.488 118.600 0.017 0.000 2.855 407 c HA 0.418 4.988 4.570 -0.000 0.000 0.279 407 c C 1.475 175.632 174.090 0.112 0.000 1.270 407 c CA -1.275 55.062 56.329 0.014 0.000 1.702 407 c CB -1.227 41.184 42.510 -0.165 0.000 1.949 407 c HN 0.390 nan 8.230 nan 0.000 0.618 408 A N 1.551 124.450 122.820 0.133 0.000 2.580 408 A HA 0.198 4.518 4.320 -0.000 0.000 0.244 408 A C 0.872 178.621 177.584 0.276 0.000 1.045 408 A CA 0.960 53.100 52.037 0.172 0.000 0.761 408 A CB -0.040 19.037 19.000 0.128 0.000 0.962 408 A HN 0.723 nan 8.150 nan 0.000 0.512 409 D N -0.165 120.375 120.400 0.233 0.000 2.837 409 D HA -0.272 4.368 4.640 -0.000 0.000 0.195 409 D C 0.545 176.988 176.300 0.238 0.000 1.033 409 D CA 2.110 56.267 54.000 0.262 0.000 1.021 409 D CB -1.407 39.596 40.800 0.338 0.000 1.101 409 D HN 0.847 nan 8.370 nan 0.000 0.431 410 Y N 1.924 122.181 120.300 -0.072 0.000 2.145 410 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 410 Y C 2.562 178.362 175.900 -0.166 0.000 1.145 410 Y CA 2.730 60.560 58.100 -0.449 0.000 1.148 410 Y CB -0.184 37.983 38.460 -0.489 0.000 0.981 410 Y HN 0.145 nan 8.280 nan 0.000 0.507 411 S N -1.138 114.543 115.700 -0.033 0.000 2.528 411 S HA -0.008 4.462 4.470 -0.000 0.000 0.219 411 S C 1.084 175.641 174.600 -0.072 0.000 0.985 411 S CA 0.715 58.873 58.200 -0.069 0.000 0.914 411 S CB -0.160 63.127 63.200 0.146 0.000 0.776 411 S HN 0.461 nan 8.310 nan 0.000 0.526 412 E N 1.717 121.891 120.200 -0.044 0.000 2.465 412 E HA 0.330 4.680 4.350 -0.000 0.000 0.191 412 E C -0.005 176.574 176.600 -0.034 0.000 1.053 412 E CA -0.076 56.298 56.400 -0.043 0.000 0.869 412 E CB 0.112 29.789 29.700 -0.037 0.000 0.977 412 E HN 0.497 nan 8.360 nan 0.000 0.483 413 N N -0.554 118.115 118.700 -0.051 0.000 2.853 413 N HA 0.203 4.943 4.740 -0.000 0.000 0.258 413 N C -0.705 174.778 175.510 -0.045 0.000 1.444 413 N CA -0.474 52.566 53.050 -0.017 0.000 0.837 413 N CB 1.525 40.044 38.487 0.054 0.000 1.489 413 N HN -0.008 nan 8.380 nan 0.000 0.529 414 T N -1.834 112.723 114.554 0.005 0.000 2.882 414 T HA 0.224 4.574 4.350 -0.000 0.000 0.287 414 T C 1.248 176.024 174.700 0.127 0.000 1.014 414 T CA -0.438 61.681 62.100 0.031 0.000 1.049 414 T CB 0.553 69.446 68.868 0.041 0.000 1.001 414 T HN 0.351 nan 8.240 nan 0.000 0.525 415 F N 2.172 122.115 119.950 -0.011 0.000 2.043 415 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 415 F C 2.829 178.727 175.800 0.163 0.000 1.121 415 F CA 2.621 60.687 58.000 0.110 0.000 1.199 415 F CB -1.253 37.807 39.000 0.099 0.000 0.968 415 F HN 0.885 nan 8.300 nan 0.000 0.478 416 T N -2.116 112.480 114.554 0.071 0.000 2.684 416 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 416 T C 1.833 176.485 174.700 -0.081 0.000 1.036 416 T CA 1.576 63.636 62.100 -0.068 0.000 1.148 416 T CB -0.736 68.134 68.868 0.004 0.000 0.863 416 T HN 0.328 nan 8.240 nan 0.000 0.436 417 E N 0.523 120.717 120.200 -0.009 0.000 2.110 417 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 417 E C 1.890 178.485 176.600 -0.008 0.000 0.988 417 E CA 1.085 57.479 56.400 -0.010 0.000 0.804 417 E CB -0.694 29.016 29.700 0.016 0.000 0.745 417 E HN 0.760 nan 8.360 nan 0.000 0.458 418 Y N 1.255 121.505 120.300 -0.083 0.000 2.145 418 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 418 Y C 1.742 177.586 175.900 -0.094 0.000 1.145 418 Y CA 2.042 60.105 58.100 -0.061 0.000 1.148 418 Y CB -0.293 38.156 38.460 -0.018 0.000 0.981 418 Y HN -0.087 nan 8.280 nan 0.000 0.507 419 K N 0.336 120.370 120.400 -0.610 0.000 2.152 419 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 419 K C 2.092 178.457 176.600 -0.392 0.000 1.048 419 K CA 1.740 57.628 56.287 -0.665 0.000 0.933 419 K CB -0.120 32.065 32.500 -0.524 0.000 0.721 419 K HN 0.393 nan 8.250 nan 0.000 0.447 420 K N 0.677 120.925 120.400 -0.253 0.000 2.103 420 K HA -0.093 4.226 4.320 -0.000 0.000 0.204 420 K C 1.928 178.444 176.600 -0.141 0.000 1.052 420 K CA 1.072 57.264 56.287 -0.157 0.000 0.945 420 K CB 0.071 32.511 32.500 -0.099 0.000 0.722 420 K HN 0.080 nan 8.250 nan 0.000 0.443 421 K N 0.657 120.973 120.400 -0.141 0.000 2.155 421 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 421 K C 2.060 178.589 176.600 -0.118 0.000 1.052 421 K CA 0.555 56.790 56.287 -0.088 0.000 0.948 421 K CB -0.074 32.413 32.500 -0.023 0.000 0.728 421 K HN 0.003 nan 8.250 nan 0.000 0.448 422 L N 1.340 122.416 121.223 -0.245 0.000 2.017 422 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 422 L C 2.206 178.988 176.870 -0.147 0.000 1.073 422 L CA 1.793 56.496 54.840 -0.228 0.000 0.745 422 L CB -0.749 41.036 42.059 -0.456 0.000 0.894 422 L HN 0.094 nan 8.230 nan 0.000 0.432 423 A N -0.670 122.051 122.820 -0.164 0.000 1.883 423 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 423 A C 2.128 179.669 177.584 -0.072 0.000 1.186 423 A CA 1.823 53.796 52.037 -0.107 0.000 0.624 423 A CB -0.666 18.270 19.000 -0.107 0.000 0.822 423 A HN 0.539 nan 8.150 nan 0.000 0.444 424 E N -0.018 120.141 120.200 -0.069 0.000 2.085 424 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 424 E C 2.170 178.750 176.600 -0.034 0.000 0.994 424 E CA 1.176 57.548 56.400 -0.045 0.000 0.801 424 E CB -0.430 29.246 29.700 -0.040 0.000 0.743 424 E HN 0.647 nan 8.360 nan 0.000 0.453 425 R N 0.152 120.632 120.500 -0.033 0.000 2.096 425 R HA -0.013 4.327 4.340 -0.000 0.000 0.235 425 R C 2.584 178.874 176.300 -0.018 0.000 1.127 425 R CA 0.777 56.866 56.100 -0.018 0.000 0.968 425 R CB -0.287 30.009 30.300 -0.005 0.000 0.861 425 R HN 0.175 nan 8.270 nan 0.000 0.440 426 L N 0.543 121.749 121.223 -0.027 0.000 2.072 426 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 426 L C 2.225 179.082 176.870 -0.021 0.000 1.079 426 L CA 1.324 56.150 54.840 -0.023 0.000 0.752 426 L CB -0.325 41.716 42.059 -0.030 0.000 0.906 426 L HN 0.097 nan 8.230 nan 0.000 0.436 427 K N 0.351 120.736 120.400 -0.026 0.000 2.063 427 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 427 K C 2.237 178.828 176.600 -0.016 0.000 1.048 427 K CA 1.484 57.758 56.287 -0.022 0.000 0.928 427 K CB -0.309 32.176 32.500 -0.024 0.000 0.713 427 K HN 0.290 nan 8.250 nan 0.000 0.442 428 A N 1.780 124.591 122.820 -0.015 0.000 1.902 428 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 428 A C 1.794 179.372 177.584 -0.009 0.000 1.181 428 A CA 1.551 53.581 52.037 -0.011 0.000 0.623 428 A CB -0.238 18.756 19.000 -0.010 0.000 0.818 428 A HN 0.211 nan 8.150 nan 0.000 0.443 429 K N -1.125 119.270 120.400 -0.009 0.000 2.296 429 K HA 0.197 4.517 4.320 -0.000 0.000 0.200 429 K C -0.302 176.293 176.600 -0.009 0.000 1.048 429 K CA 0.446 56.728 56.287 -0.008 0.000 0.966 429 K CB 0.018 32.514 32.500 -0.008 0.000 0.754 429 K HN 0.381 nan 8.250 nan 0.000 0.466 430 L N 1.255 122.472 121.223 -0.010 0.000 2.556 430 L HA 0.232 4.572 4.340 -0.000 0.000 0.243 430 L C -2.199 174.665 176.870 -0.010 0.000 1.331 430 L CA -1.438 53.396 54.840 -0.010 0.000 0.927 430 L CB 1.388 43.440 42.059 -0.011 0.000 1.219 430 L HN -0.182 nan 8.230 nan 0.000 0.490 431 P HA -0.151 nan 4.420 nan 0.000 0.218 431 P C 0.614 177.909 177.300 -0.008 0.000 1.146 431 P CA 1.264 64.358 63.100 -0.009 0.000 0.813 431 P CB 0.273 31.968 31.700 -0.007 0.000 0.778 432 D N -1.463 118.933 120.400 -0.008 0.000 2.349 432 D HA 0.149 4.789 4.640 -0.000 0.000 0.214 432 D C 0.703 176.998 176.300 -0.008 0.000 1.063 432 D CA 0.054 54.050 54.000 -0.007 0.000 0.847 432 D CB 0.109 40.905 40.800 -0.006 0.000 0.933 432 D HN 0.086 nan 8.370 nan 0.000 0.513 433 A N 1.368 124.183 122.820 -0.009 0.000 2.462 433 A HA 0.336 4.656 4.320 -0.000 0.000 0.243 433 A C 1.010 178.588 177.584 -0.010 0.000 1.076 433 A CA -0.186 51.845 52.037 -0.009 0.000 0.773 433 A CB 0.209 19.203 19.000 -0.011 0.000 1.010 433 A HN 0.146 nan 8.150 nan 0.000 0.493 434 T N 0.243 114.792 114.554 -0.009 0.000 2.816 434 T HA 0.427 4.777 4.350 -0.000 0.000 0.282 434 T C -1.990 172.704 174.700 -0.011 0.000 0.993 434 T CA -1.306 60.788 62.100 -0.009 0.000 0.994 434 T CB 0.664 69.528 68.868 -0.007 0.000 1.025 434 T HN 0.318 nan 8.240 nan 0.000 0.529 435 P HA -0.030 nan 4.420 nan 0.000 0.218 435 P C 1.469 178.762 177.300 -0.012 0.000 1.149 435 P CA 0.864 63.956 63.100 -0.013 0.000 0.817 435 P CB 0.110 31.803 31.700 -0.012 0.000 0.785 436 K N -0.129 120.266 120.400 -0.009 0.000 2.155 436 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 436 K C 1.871 178.467 176.600 -0.006 0.000 1.052 436 K CA 1.155 57.438 56.287 -0.006 0.000 0.948 436 K CB -0.502 31.995 32.500 -0.004 0.000 0.728 436 K HN 0.348 nan 8.250 nan 0.000 0.448 437 E N 0.793 120.989 120.200 -0.007 0.000 2.106 437 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 437 E C 2.099 178.694 176.600 -0.009 0.000 0.984 437 E CA 0.574 56.970 56.400 -0.006 0.000 0.806 437 E CB -0.074 29.622 29.700 -0.007 0.000 0.750 437 E HN 0.150 nan 8.360 nan 0.000 0.458 438 L N 0.584 121.799 121.223 -0.013 0.000 2.093 438 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 438 L C 2.570 179.427 176.870 -0.021 0.000 1.085 438 L CA 0.796 55.625 54.840 -0.019 0.000 0.755 438 L CB -0.387 41.658 42.059 -0.024 0.000 0.904 438 L HN 0.136 nan 8.230 nan 0.000 0.435 439 A N 0.261 123.071 122.820 -0.017 0.000 1.902 439 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 439 A C 2.312 179.893 177.584 -0.006 0.000 1.181 439 A CA 1.684 53.712 52.037 -0.016 0.000 0.623 439 A CB -0.315 18.678 19.000 -0.011 0.000 0.818 439 A HN 0.314 nan 8.150 nan 0.000 0.443 440 K N -0.510 119.890 120.400 0.000 0.000 2.148 440 K HA 0.044 4.363 4.320 -0.000 0.000 0.204 440 K C 1.829 178.437 176.600 0.013 0.000 1.050 440 K CA 1.070 57.363 56.287 0.010 0.000 0.942 440 K CB -0.288 32.217 32.500 0.008 0.000 0.724 440 K HN 0.461 nan 8.250 nan 0.000 0.446 441 L N 0.345 121.570 121.223 0.004 0.000 2.023 441 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 441 L C 2.312 179.189 176.870 0.011 0.000 1.073 441 L CA 0.813 55.657 54.840 0.006 0.000 0.745 441 L CB -0.503 41.554 42.059 -0.004 0.000 0.900 441 L HN -0.044 nan 8.230 nan 0.000 0.435 442 V N 0.565 120.472 119.914 -0.012 0.000 2.324 442 V HA -0.339 3.780 4.120 -0.000 0.000 0.250 442 V C 2.313 178.411 176.094 0.008 0.000 1.060 442 V CA 2.292 64.571 62.300 -0.035 0.000 1.042 442 V CB -0.791 30.986 31.823 -0.077 0.000 0.650 442 V HN 0.534 nan 8.190 nan 0.000 0.450 443 N N 0.197 118.912 118.700 0.026 0.000 2.120 443 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 443 N C 1.795 177.372 175.510 0.112 0.000 1.024 443 N CA 1.680 54.770 53.050 0.068 0.000 0.852 443 N CB -0.176 38.344 38.487 0.054 0.000 1.003 443 N HN 0.469 nan 8.380 nan 0.000 0.424 444 K N -0.356 120.099 120.400 0.092 0.000 2.025 444 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 444 K C 2.117 178.820 176.600 0.172 0.000 1.049 444 K CA 1.029 57.383 56.287 0.112 0.000 0.933 444 K CB -0.146 32.394 32.500 0.066 0.000 0.714 444 K HN 0.039 nan 8.250 nan 0.000 0.438 445 R N 1.489 122.083 120.500 0.156 0.000 2.092 445 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 445 R C 2.101 178.616 176.300 0.358 0.000 1.119 445 R CA 2.128 58.365 56.100 0.229 0.000 0.970 445 R CB -0.541 29.853 30.300 0.157 0.000 0.864 445 R HN 0.239 nan 8.270 nan 0.000 0.440 446 S N -0.716 115.180 115.700 0.327 0.000 2.428 446 S HA -0.084 4.386 4.470 -0.000 0.000 0.230 446 S C 1.698 176.605 174.600 0.512 0.000 1.014 446 S CA 1.015 59.531 58.200 0.528 0.000 0.957 446 S CB -0.262 63.137 63.200 0.332 0.000 0.784 446 S HN 0.426 nan 8.310 nan 0.000 0.499 447 D N 1.093 121.710 120.400 0.362 0.000 2.097 447 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 447 D C 1.624 178.068 176.300 0.239 0.000 0.984 447 D CA 1.076 55.245 54.000 0.281 0.000 0.826 447 D CB -0.461 40.473 40.800 0.223 0.000 0.973 447 D HN 0.378 nan 8.370 nan 0.000 0.460 448 F N 1.046 121.084 119.950 0.146 0.000 2.134 448 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 448 F C 2.090 177.917 175.800 0.045 0.000 1.097 448 F CA 1.812 59.883 58.000 0.119 0.000 1.264 448 F CB -0.633 38.428 39.000 0.102 0.000 1.001 448 F HN 0.022 nan 8.300 nan 0.000 0.479 449 A N -0.006 122.765 122.820 -0.081 0.000 1.933 449 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 449 A C 2.329 179.383 177.584 -0.883 0.000 1.175 449 A CA 1.985 53.721 52.037 -0.502 0.000 0.628 449 A CB -1.429 17.420 19.000 -0.252 0.000 0.814 449 A HN 0.543 nan 8.150 nan 0.000 0.444 450 S N -0.568 114.911 115.700 -0.368 0.000 2.481 450 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 450 S C 1.292 175.746 174.600 -0.244 0.000 0.996 450 S CA 1.355 59.394 58.200 -0.268 0.000 0.942 450 S CB -0.545 62.561 63.200 -0.156 0.000 0.768 450 S HN 0.700 nan 8.310 nan 0.000 0.520 451 N N -0.711 117.839 118.700 -0.250 0.000 2.454 451 N HA 0.239 4.979 4.740 -0.000 0.000 0.177 451 N C 0.334 175.727 175.510 -0.195 0.000 1.049 451 N CA 0.617 53.578 53.050 -0.150 0.000 0.887 451 N CB 0.525 39.024 38.487 0.021 0.000 1.095 451 N HN 0.377 nan 8.380 nan 0.000 0.446 452 c N -0.608 117.731 118.600 -0.435 0.000 3.386 452 c HA 0.389 4.958 4.570 -0.000 0.000 0.279 452 c C 0.834 174.772 174.090 -0.254 0.000 1.508 452 c CA -0.705 55.404 56.329 -0.368 0.000 1.801 452 c CB -1.066 41.106 42.510 -0.562 0.000 2.798 452 c HN 0.505 nan 8.230 nan 0.000 0.605 453 c N 1.168 119.536 118.600 -0.386 0.000 2.881 453 c HA 0.304 4.874 4.570 -0.000 0.000 0.290 453 c C 1.003 175.035 174.090 -0.096 0.000 1.362 453 c CA 0.116 56.279 56.329 -0.276 0.000 1.757 453 c CB -1.754 40.450 42.510 -0.510 0.000 2.265 453 c HN 0.599 nan 8.230 nan 0.000 0.600 454 S N 0.043 115.711 115.700 -0.053 0.000 2.648 454 S HA 0.425 4.895 4.470 -0.000 0.000 0.305 454 S C 0.859 175.467 174.600 0.014 0.000 1.094 454 S CA -0.554 57.667 58.200 0.035 0.000 0.983 454 S CB 1.432 64.660 63.200 0.046 0.000 1.101 454 S HN 0.383 nan 8.310 nan 0.000 0.514 455 I N 1.338 121.913 120.570 0.009 0.000 2.361 455 I HA -0.131 4.039 4.170 -0.000 0.000 0.251 455 I C 0.425 176.525 176.117 -0.030 0.000 1.133 455 I CA 1.251 62.547 61.300 -0.007 0.000 1.413 455 I CB 0.100 38.084 38.000 -0.027 0.000 1.073 455 I HN 0.446 nan 8.210 nan 0.000 0.424 456 N N 0.983 119.652 118.700 -0.051 0.000 2.389 456 N HA 0.159 4.899 4.740 -0.000 0.000 0.260 456 N C -0.318 175.178 175.510 -0.024 0.000 1.191 456 N CA -0.011 53.007 53.050 -0.054 0.000 0.885 456 N CB 0.540 38.962 38.487 -0.108 0.000 1.162 456 N HN 0.109 nan 8.380 nan 0.000 0.512 457 S N 2.548 118.235 115.700 -0.023 0.000 2.568 457 S HA 0.109 4.579 4.470 -0.000 0.000 0.282 457 S C -2.113 172.456 174.600 -0.050 0.000 1.338 457 S CA -0.510 57.664 58.200 -0.042 0.000 1.045 457 S CB 0.487 63.670 63.200 -0.029 0.000 0.873 457 S HN 0.254 nan 8.310 nan 0.000 0.516 458 P HA 0.187 nan 4.420 nan 0.000 0.271 458 P C -2.351 174.925 177.300 -0.040 0.000 1.233 458 P CA -1.510 61.503 63.100 -0.145 0.000 0.764 458 P CB 0.643 32.136 31.700 -0.345 0.000 0.825 459 P HA -0.156 nan 4.420 nan 0.000 0.213 459 P C 1.771 179.058 177.300 -0.021 0.000 1.170 459 P CA 1.454 64.493 63.100 -0.102 0.000 0.902 459 P CB -0.091 31.344 31.700 -0.442 0.000 0.789 460 L N -2.767 118.432 121.223 -0.039 0.000 2.046 460 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 460 L C 2.674 179.600 176.870 0.092 0.000 1.077 460 L CA 1.646 56.496 54.840 0.016 0.000 0.747 460 L CB -1.108 40.950 42.059 -0.003 0.000 0.896 460 L HN -0.036 nan 8.230 nan 0.000 0.432 461 Y N 0.151 120.470 120.300 0.031 0.000 2.145 461 Y HA -0.292 4.258 4.550 -0.000 0.000 0.286 461 Y C 2.672 178.622 175.900 0.083 0.000 1.145 461 Y CA 1.762 59.931 58.100 0.115 0.000 1.148 461 Y CB -0.378 38.242 38.460 0.267 0.000 0.981 461 Y HN 0.144 nan 8.280 nan 0.000 0.507 462 c N 0.504 119.229 118.600 0.209 0.000 2.446 462 c HA -0.139 4.431 4.570 -0.000 0.000 0.279 462 c C 2.604 176.697 174.090 0.006 0.000 1.366 462 c CA 0.927 57.315 56.329 0.097 0.000 1.763 462 c CB -1.109 41.446 42.510 0.075 0.000 1.929 462 c HN 0.661 nan 8.230 nan 0.000 0.509 463 D N 1.606 122.010 120.400 0.007 0.000 2.116 463 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 463 D C 2.072 178.357 176.300 -0.026 0.000 0.998 463 D CA 2.261 56.258 54.000 -0.005 0.000 0.836 463 D CB 0.026 40.838 40.800 0.020 0.000 0.951 463 D HN 0.561 nan 8.370 nan 0.000 0.449 464 S N 0.193 115.864 115.700 -0.047 0.000 2.395 464 S HA -0.065 4.405 4.470 -0.000 0.000 0.225 464 S C 1.773 176.329 174.600 -0.074 0.000 1.027 464 S CA 0.413 58.575 58.200 -0.063 0.000 0.965 464 S CB -0.085 63.066 63.200 -0.082 0.000 0.812 464 S HN 0.207 nan 8.310 nan 0.000 0.482 465 E N 1.689 121.840 120.200 -0.082 0.000 2.072 465 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 465 E C 2.055 178.670 176.600 0.024 0.000 0.985 465 E CA 0.711 57.106 56.400 -0.009 0.000 0.801 465 E CB -0.444 29.320 29.700 0.107 0.000 0.750 465 E HN 0.568 nan 8.360 nan 0.000 0.452 466 I N 1.606 122.215 120.570 0.064 0.000 2.226 466 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 466 I C 1.882 177.954 176.117 -0.076 0.000 1.100 466 I CA 1.103 62.379 61.300 -0.040 0.000 1.374 466 I CB -0.272 37.567 38.000 -0.268 0.000 1.057 466 I HN -0.031 nan 8.210 nan 0.000 0.413 467 D N 1.237 121.611 120.400 -0.044 0.000 2.106 467 D HA -0.207 4.433 4.640 -0.000 0.000 0.191 467 D C 2.252 178.522 176.300 -0.050 0.000 0.997 467 D CA 1.829 55.816 54.000 -0.022 0.000 0.834 467 D CB -0.279 40.513 40.800 -0.013 0.000 0.956 467 D HN 0.373 nan 8.370 nan 0.000 0.448 468 A N 1.311 124.084 122.820 -0.078 0.000 1.877 468 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 468 A C 2.054 179.555 177.584 -0.138 0.000 1.186 468 A CA 1.395 53.376 52.037 -0.094 0.000 0.620 468 A CB -0.381 18.562 19.000 -0.096 0.000 0.822 468 A HN 0.063 nan 8.150 nan 0.000 0.443 469 E N 0.103 120.161 120.200 -0.237 0.000 2.153 469 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 469 E C 2.004 178.492 176.600 -0.188 0.000 0.988 469 E CA 0.729 56.933 56.400 -0.326 0.000 0.811 469 E CB -0.423 28.827 29.700 -0.750 0.000 0.746 469 E HN 0.686 nan 8.360 nan 0.000 0.466 470 L N 1.006 122.158 121.223 -0.118 0.000 2.127 470 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 470 L C 2.318 179.159 176.870 -0.050 0.000 1.089 470 L CA 1.476 56.277 54.840 -0.066 0.000 0.757 470 L CB -0.377 41.670 42.059 -0.019 0.000 0.899 470 L HN 0.159 nan 8.230 nan 0.000 0.434 471 K N -0.984 119.387 120.400 -0.049 0.000 2.404 471 K HA 0.024 4.343 4.320 -0.000 0.000 0.194 471 K C 0.644 177.217 176.600 -0.045 0.000 1.023 471 K CA -0.178 56.089 56.287 -0.034 0.000 1.094 471 K CB -0.155 32.331 32.500 -0.024 0.000 0.841 471 K HN 0.104 nan 8.250 nan 0.000 0.523 472 N N 2.049 120.709 118.700 -0.068 0.000 2.497 472 N HA 0.046 4.786 4.740 -0.000 0.000 0.268 472 N C 0.880 176.361 175.510 -0.048 0.000 1.171 472 N CA -0.030 52.980 53.050 -0.066 0.000 0.948 472 N CB 0.710 39.137 38.487 -0.099 0.000 1.069 472 N HN 0.101 nan 8.380 nan 0.000 0.460 473 I N 2.765 123.315 120.570 -0.035 0.000 2.226 473 I HA -0.232 3.937 4.170 -0.000 0.000 0.245 473 I C 1.090 177.193 176.117 -0.023 0.000 1.100 473 I CA 0.910 62.195 61.300 -0.024 0.000 1.374 473 I CB -0.097 37.891 38.000 -0.019 0.000 1.057 473 I HN 0.397 nan 8.210 nan 0.000 0.413 474 L N 0.000 121.208 121.223 -0.025 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 474 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502