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 2j0f_1_B DATA FIRST_RESID 34 DATA SEQUENCE KQLPELIRMK RDGGRLSEAD IRGFVAAVVN GSAQGAQIGA MLMAIRLRGM DATA SEQUENCE DLEETSVLTQ ALAQSGQQLE WPEAWRQQLV DKHSTGGVGD KVSLVLAPAL DATA SEQUENCE AACGCKVPMI SGRGLGHTGG TLDKLESIPG FNVIQSPEQM QVLLDQAGCC DATA SEQUENCE IVGQSEQLVP ADGILYAARD VTATVDSLPL ITASILSKKL VEGLSALVVD DATA SEQUENCE VKFGAGAVFP NQEQARELAK TLVGVGASLG LRVAAALTAM DKPLGRCVGH DATA SEQUENCE ALEVEEALLC MDGAGPPDLR DLVTTLGGAL LWLSGHAGTQ AQGAARVAAA DATA SEQUENCE LDDGSALGRF ERMLAAQGVD PGLARALCSG SPAERRQLLP RAREQEELLA DATA SEQUENCE PADGTVELVR ALPLALVLHE LGAGRSRAGE PLRLGVGAEL LVDVGQRLRR DATA SEQUENCE GTPWLRVHRD GPALSGPQSR ALQEALVLSD RAPFAAPLPF AELVLP 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.622 176.600 0.037 0.000 0.988 34 K CA 0.000 56.305 56.287 0.030 0.000 0.838 34 K CB 0.000 32.519 32.500 0.031 0.000 1.064 35 Q N 1.439 121.259 119.800 0.033 0.000 2.584 35 Q HA 0.076 4.416 4.340 -0.000 0.000 0.235 35 Q C 1.101 177.133 176.000 0.053 0.000 1.079 35 Q CA 0.143 55.969 55.803 0.038 0.000 0.977 35 Q CB 0.649 29.405 28.738 0.029 0.000 1.293 35 Q HN 0.504 nan 8.270 nan 0.000 0.553 36 L N 1.694 122.955 121.223 0.064 0.000 2.044 36 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 36 L C -0.940 175.970 176.870 0.066 0.000 1.075 36 L CA 0.892 55.788 54.840 0.093 0.000 0.747 36 L CB -0.705 41.423 42.059 0.115 0.000 0.903 36 L HN 0.570 nan 8.230 nan 0.000 0.435 37 P HA -0.187 nan 4.420 nan 0.000 0.219 37 P C 1.238 178.549 177.300 0.019 0.000 1.146 37 P CA 1.197 64.316 63.100 0.032 0.000 0.808 37 P CB 0.035 31.750 31.700 0.026 0.000 0.779 38 E N -0.445 119.768 120.200 0.021 0.000 2.107 38 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 38 E C 1.990 178.593 176.600 0.005 0.000 0.982 38 E CA 0.776 57.184 56.400 0.012 0.000 0.809 38 E CB -0.482 29.227 29.700 0.016 0.000 0.756 38 E HN 0.231 nan 8.360 nan 0.000 0.459 39 L N 0.532 121.761 121.223 0.011 0.000 2.012 39 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 39 L C 2.594 179.433 176.870 -0.051 0.000 1.073 39 L CA 1.059 55.893 54.840 -0.010 0.000 0.748 39 L CB -0.483 41.587 42.059 0.018 0.000 0.891 39 L HN 0.132 nan 8.230 nan 0.000 0.431 40 I N -0.748 119.795 120.570 -0.045 0.000 2.208 40 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 40 I C 2.901 178.992 176.117 -0.042 0.000 1.097 40 I CA 1.063 62.326 61.300 -0.062 0.000 1.363 40 I CB -0.480 37.503 38.000 -0.028 0.000 1.051 40 I HN 0.289 nan 8.210 nan 0.000 0.413 41 R N 1.377 121.864 120.500 -0.022 0.000 2.081 41 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 41 R C 2.205 178.493 176.300 -0.020 0.000 1.131 41 R CA 1.800 57.890 56.100 -0.015 0.000 0.960 41 R CB -0.417 29.880 30.300 -0.006 0.000 0.856 41 R HN 0.328 nan 8.270 nan 0.000 0.436 42 M N 0.445 120.032 119.600 -0.022 0.000 2.073 42 M HA -0.226 4.254 4.480 -0.000 0.000 0.258 42 M C 2.393 178.675 176.300 -0.031 0.000 1.070 42 M CA 2.194 57.481 55.300 -0.023 0.000 1.103 42 M CB -0.319 32.268 32.600 -0.022 0.000 1.321 42 M HN -0.019 nan 8.290 nan 0.000 0.405 43 K N 0.258 120.629 120.400 -0.048 0.000 2.057 43 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 43 K C 2.089 178.664 176.600 -0.042 0.000 1.050 43 K CA 1.172 57.426 56.287 -0.056 0.000 0.935 43 K CB -0.264 32.180 32.500 -0.093 0.000 0.715 43 K HN 0.059 nan 8.250 nan 0.000 0.439 44 R N 0.855 121.332 120.500 -0.038 0.000 2.103 44 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 44 R C 0.414 176.703 176.300 -0.018 0.000 1.142 44 R CA 2.133 58.218 56.100 -0.026 0.000 0.960 44 R CB -0.532 29.756 30.300 -0.020 0.000 0.858 44 R HN 0.262 nan 8.270 nan 0.000 0.439 45 D N -0.973 119.417 120.400 -0.017 0.000 2.349 45 D HA 0.084 4.724 4.640 -0.000 0.000 0.224 45 D C 0.923 177.215 176.300 -0.012 0.000 1.029 45 D CA 1.009 55.002 54.000 -0.012 0.000 0.879 45 D CB 0.167 40.961 40.800 -0.010 0.000 0.906 45 D HN 0.573 nan 8.370 nan 0.000 0.528 46 G N 0.168 108.959 108.800 -0.016 0.000 2.143 46 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.249 46 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.249 46 G C 0.748 175.640 174.900 -0.014 0.000 0.981 46 G CA -0.000 45.091 45.100 -0.014 0.000 0.665 46 G HN 0.593 nan 8.290 nan 0.000 0.528 47 G N -0.746 108.044 108.800 -0.016 0.000 2.539 47 G HA2 0.509 4.469 3.960 -0.000 0.000 0.258 47 G HA3 0.509 4.469 3.960 -0.000 0.000 0.258 47 G C 0.198 175.088 174.900 -0.017 0.000 1.202 47 G CA -0.159 44.932 45.100 -0.014 0.000 0.851 47 G HN 0.511 nan 8.290 nan 0.000 0.556 48 R N 0.566 121.058 120.500 -0.012 0.000 2.390 48 R HA 0.335 4.675 4.340 -0.000 0.000 0.291 48 R C -0.282 176.011 176.300 -0.011 0.000 1.070 48 R CA -0.451 55.643 56.100 -0.011 0.000 1.014 48 R CB 0.409 30.706 30.300 -0.005 0.000 1.007 48 R HN 0.380 nan 8.270 nan 0.000 0.466 49 L N 3.359 124.573 121.223 -0.014 0.000 2.307 49 L HA 0.262 4.601 4.340 -0.000 0.000 0.282 49 L C 0.656 177.528 176.870 0.003 0.000 1.051 49 L CA -0.487 54.347 54.840 -0.010 0.000 0.804 49 L CB 1.716 43.760 42.059 -0.024 0.000 1.197 49 L HN 0.775 nan 8.230 nan 0.000 0.431 50 S N 0.872 116.578 115.700 0.009 0.000 2.608 50 S HA 0.059 4.529 4.470 -0.000 0.000 0.261 50 S C 0.958 175.571 174.600 0.022 0.000 1.314 50 S CA -0.356 57.852 58.200 0.014 0.000 0.992 50 S CB 1.160 64.369 63.200 0.014 0.000 0.935 50 S HN 0.786 nan 8.310 nan 0.000 0.564 51 E N 0.902 121.115 120.200 0.022 0.000 2.085 51 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 51 E C 2.164 178.784 176.600 0.034 0.000 0.994 51 E CA 1.340 57.757 56.400 0.027 0.000 0.801 51 E CB -0.641 29.073 29.700 0.023 0.000 0.743 51 E HN 0.819 nan 8.360 nan 0.000 0.453 52 A N 1.356 124.194 122.820 0.029 0.000 1.908 52 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 52 A C 1.827 179.438 177.584 0.045 0.000 1.181 52 A CA 1.937 53.994 52.037 0.032 0.000 0.627 52 A CB -0.569 18.446 19.000 0.025 0.000 0.818 52 A HN 0.310 nan 8.150 nan 0.000 0.445 53 D N 0.121 120.548 120.400 0.044 0.000 2.092 53 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 53 D C 1.903 178.259 176.300 0.094 0.000 0.994 53 D CA 1.439 55.473 54.000 0.056 0.000 0.828 53 D CB -0.444 40.375 40.800 0.031 0.000 0.963 53 D HN 0.526 nan 8.370 nan 0.000 0.450 54 I N 0.814 121.434 120.570 0.083 0.000 2.179 54 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 54 I C 2.594 178.804 176.117 0.155 0.000 1.088 54 I CA 1.138 62.513 61.300 0.125 0.000 1.357 54 I CB -0.146 37.904 38.000 0.084 0.000 1.051 54 I HN -0.088 nan 8.210 nan 0.000 0.409 55 R N 0.576 121.133 120.500 0.095 0.000 2.096 55 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 55 R C 2.416 178.756 176.300 0.065 0.000 1.127 55 R CA 1.443 57.585 56.100 0.069 0.000 0.968 55 R CB -0.782 29.544 30.300 0.044 0.000 0.861 55 R HN 0.483 nan 8.270 nan 0.000 0.440 56 G N 0.855 109.703 108.800 0.080 0.000 2.421 56 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 56 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 56 G C 1.233 176.191 174.900 0.097 0.000 1.171 56 G CA 0.504 45.649 45.100 0.074 0.000 0.775 56 G HN 0.300 nan 8.290 nan 0.000 0.543 57 F N 1.326 121.283 119.950 0.011 0.000 2.134 57 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 57 F C 2.617 178.426 175.800 0.015 0.000 1.097 57 F CA 1.424 59.432 58.000 0.013 0.000 1.264 57 F CB -0.360 38.649 39.000 0.015 0.000 1.001 57 F HN 0.005 nan 8.300 nan 0.000 0.479 58 V N 0.690 120.545 119.914 -0.097 0.000 2.343 58 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 58 V C 2.795 178.783 176.094 -0.176 0.000 1.051 58 V CA 1.756 63.946 62.300 -0.183 0.000 1.036 58 V CB -1.519 30.306 31.823 0.002 0.000 0.654 58 V HN 0.511 nan 8.190 nan 0.000 0.451 59 A N 0.044 122.808 122.820 -0.093 0.000 1.883 59 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 59 A C 2.428 179.951 177.584 -0.103 0.000 1.186 59 A CA 2.238 54.231 52.037 -0.073 0.000 0.624 59 A CB -0.838 18.143 19.000 -0.031 0.000 0.822 59 A HN 0.585 nan 8.150 nan 0.000 0.444 60 A N -0.714 122.028 122.820 -0.129 0.000 1.933 60 A HA 0.015 4.334 4.320 -0.000 0.000 0.218 60 A C 2.235 179.709 177.584 -0.183 0.000 1.175 60 A CA 1.740 53.701 52.037 -0.127 0.000 0.628 60 A CB -0.887 18.057 19.000 -0.093 0.000 0.814 60 A HN 0.382 nan 8.150 nan 0.000 0.444 61 V N -0.374 119.347 119.914 -0.322 0.000 2.295 61 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 61 V C 2.592 178.593 176.094 -0.155 0.000 1.049 61 V CA 2.082 64.206 62.300 -0.294 0.000 1.024 61 V CB -0.716 30.844 31.823 -0.438 0.000 0.648 61 V HN 0.386 nan 8.190 nan 0.000 0.447 62 V N 2.013 121.848 119.914 -0.132 0.000 2.343 62 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 62 V C 2.065 178.124 176.094 -0.059 0.000 1.051 62 V CA 2.254 64.507 62.300 -0.079 0.000 1.036 62 V CB -1.007 30.777 31.823 -0.064 0.000 0.654 62 V HN 0.915 nan 8.190 nan 0.000 0.451 63 N N 0.218 118.882 118.700 -0.060 0.000 2.336 63 N HA 0.196 4.936 4.740 -0.000 0.000 0.189 63 N C 1.296 176.784 175.510 -0.037 0.000 1.113 63 N CA 0.998 54.023 53.050 -0.042 0.000 0.858 63 N CB 0.528 38.994 38.487 -0.035 0.000 0.970 63 N HN 0.438 nan 8.380 nan 0.000 0.471 64 G N -1.045 107.727 108.800 -0.045 0.000 2.176 64 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.253 64 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.253 64 G C 1.141 176.024 174.900 -0.028 0.000 0.979 64 G CA 0.431 45.511 45.100 -0.034 0.000 0.641 64 G HN 0.335 nan 8.290 nan 0.000 0.530 65 S N 0.217 115.897 115.700 -0.032 0.000 2.382 65 S HA 0.239 4.709 4.470 -0.000 0.000 0.228 65 S C 1.722 176.314 174.600 -0.013 0.000 1.027 65 S CA 1.261 59.450 58.200 -0.019 0.000 0.991 65 S CB -0.117 63.072 63.200 -0.018 0.000 0.823 65 S HN 1.707 nan 8.310 nan 0.000 0.469 66 A N 2.176 124.974 122.820 -0.037 0.000 2.395 66 A HA 0.344 4.664 4.320 -0.000 0.000 0.286 66 A C 0.235 177.818 177.584 -0.002 0.000 1.193 66 A CA -0.355 51.671 52.037 -0.017 0.000 0.852 66 A CB 0.097 19.042 19.000 -0.092 0.000 1.118 66 A HN 0.444 nan 8.150 nan 0.000 0.524 67 Q N 1.438 121.252 119.800 0.024 0.000 2.382 67 Q HA 0.346 4.686 4.340 -0.000 0.000 0.229 67 Q C 1.653 177.676 176.000 0.038 0.000 1.006 67 Q CA 0.172 55.990 55.803 0.025 0.000 0.916 67 Q CB 0.710 29.463 28.738 0.027 0.000 1.235 67 Q HN 0.841 nan 8.270 nan 0.000 0.512 68 G N 0.943 109.763 108.800 0.034 0.000 2.574 68 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.220 68 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.220 68 G C 1.301 176.234 174.900 0.054 0.000 1.173 68 G CA 1.148 46.273 45.100 0.042 0.000 0.772 68 G HN 0.723 nan 8.290 nan 0.000 0.585 69 A N 0.038 122.886 122.820 0.047 0.000 1.978 69 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 69 A C 2.360 179.981 177.584 0.062 0.000 1.170 69 A CA 2.004 54.070 52.037 0.048 0.000 0.636 69 A CB -0.342 18.681 19.000 0.037 0.000 0.810 69 A HN 0.544 nan 8.150 nan 0.000 0.448 70 Q N -0.788 119.059 119.800 0.078 0.000 2.187 70 Q HA 0.021 4.361 4.340 -0.000 0.000 0.199 70 Q C 1.936 178.046 176.000 0.182 0.000 0.957 70 Q CA 1.110 56.981 55.803 0.113 0.000 0.857 70 Q CB -0.214 28.596 28.738 0.120 0.000 0.929 70 Q HN 0.737 nan 8.270 nan 0.000 0.453 71 I N 0.587 121.265 120.570 0.181 0.000 2.202 71 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 71 I C 2.382 178.597 176.117 0.163 0.000 1.091 71 I CA 1.260 62.701 61.300 0.236 0.000 1.368 71 I CB -0.619 37.470 38.000 0.147 0.000 1.058 71 I HN 0.251 nan 8.210 nan 0.000 0.410 72 G N 0.441 109.302 108.800 0.102 0.000 2.440 72 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.218 72 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.218 72 G C 1.835 176.765 174.900 0.050 0.000 1.154 72 G CA 0.904 46.045 45.100 0.069 0.000 0.767 72 G HN 0.497 nan 8.290 nan 0.000 0.552 73 A N 0.041 122.890 122.820 0.047 0.000 1.898 73 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 73 A C 2.304 179.882 177.584 -0.010 0.000 1.181 73 A CA 2.147 54.196 52.037 0.021 0.000 0.620 73 A CB -0.339 18.674 19.000 0.023 0.000 0.819 73 A HN 0.386 nan 8.150 nan 0.000 0.442 74 M N -0.061 119.526 119.600 -0.021 0.000 2.117 74 M HA -0.014 4.466 4.480 -0.000 0.000 0.262 74 M C 1.835 178.066 176.300 -0.115 0.000 1.065 74 M CA 1.515 56.723 55.300 -0.152 0.000 1.114 74 M CB -0.713 31.645 32.600 -0.404 0.000 1.361 74 M HN 0.351 nan 8.290 nan 0.000 0.408 75 L N -0.968 120.245 121.223 -0.017 0.000 2.046 75 L HA -0.226 4.113 4.340 -0.000 0.000 0.208 75 L C 2.520 179.388 176.870 -0.004 0.000 1.077 75 L CA 1.407 56.252 54.840 0.009 0.000 0.747 75 L CB -0.728 41.365 42.059 0.056 0.000 0.896 75 L HN 0.407 nan 8.230 nan 0.000 0.432 76 M N -0.159 119.441 119.600 -0.000 0.000 2.175 76 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 76 M C 2.237 178.530 176.300 -0.011 0.000 1.063 76 M CA 1.852 57.152 55.300 0.000 0.000 1.119 76 M CB -0.439 32.165 32.600 0.007 0.000 1.377 76 M HN 0.167 nan 8.290 nan 0.000 0.415 77 A N 0.293 123.096 122.820 -0.028 0.000 1.883 77 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 77 A C 2.204 179.764 177.584 -0.039 0.000 1.186 77 A CA 2.118 54.132 52.037 -0.038 0.000 0.624 77 A CB -1.153 17.810 19.000 -0.061 0.000 0.822 77 A HN 0.579 nan 8.150 nan 0.000 0.444 78 I N -1.040 119.499 120.570 -0.052 0.000 2.226 78 I HA -0.251 3.918 4.170 -0.000 0.000 0.245 78 I C 2.663 178.776 176.117 -0.007 0.000 1.100 78 I CA 1.716 62.993 61.300 -0.038 0.000 1.374 78 I CB -0.239 37.731 38.000 -0.049 0.000 1.057 78 I HN 0.303 nan 8.210 nan 0.000 0.413 79 R N 1.399 121.900 120.500 0.001 0.000 2.096 79 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 79 R C 1.947 178.259 176.300 0.020 0.000 1.127 79 R CA 1.772 57.884 56.100 0.020 0.000 0.968 79 R CB -0.492 29.820 30.300 0.020 0.000 0.861 79 R HN 0.330 nan 8.270 nan 0.000 0.440 80 L N -0.764 120.464 121.223 0.008 0.000 2.354 80 L HA 0.136 4.475 4.340 -0.000 0.000 0.212 80 L C 1.725 178.596 176.870 0.002 0.000 1.091 80 L CA 0.385 55.230 54.840 0.008 0.000 0.828 80 L CB -0.025 42.036 42.059 0.004 0.000 0.973 80 L HN 0.049 nan 8.230 nan 0.000 0.461 81 R N -0.008 120.489 120.500 -0.005 0.000 2.335 81 R HA 0.342 4.682 4.340 -0.000 0.000 0.210 81 R C 0.710 177.006 176.300 -0.008 0.000 0.892 81 R CA 0.575 56.670 56.100 -0.009 0.000 1.048 81 R CB 0.139 30.430 30.300 -0.016 0.000 1.067 81 R HN 0.252 nan 8.270 nan 0.000 0.524 82 G N 1.346 110.144 108.800 -0.004 0.000 2.828 82 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.463 82 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.463 82 G C -0.559 174.339 174.900 -0.005 0.000 1.394 82 G CA -0.316 44.785 45.100 0.001 0.000 0.862 82 G HN 0.101 nan 8.290 nan 0.000 0.540 83 M N 0.970 120.571 119.600 0.002 0.000 2.433 83 M HA 0.347 4.827 4.480 -0.000 0.000 0.290 83 M C -0.490 175.813 176.300 0.006 0.000 1.173 83 M CA -0.772 54.528 55.300 0.001 0.000 0.905 83 M CB 2.247 34.850 32.600 0.005 0.000 1.692 83 M HN 0.946 nan 8.290 nan 0.000 0.462 84 D N 1.282 121.685 120.400 0.004 0.000 2.398 84 D HA 0.212 4.852 4.640 -0.000 0.000 0.247 84 D C 0.760 177.067 176.300 0.011 0.000 1.227 84 D CA -0.446 53.557 54.000 0.006 0.000 0.980 84 D CB 0.771 41.573 40.800 0.003 0.000 1.106 84 D HN 0.601 nan 8.370 nan 0.000 0.493 85 L N -0.828 120.402 121.223 0.012 0.000 2.083 85 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 85 L C 2.333 179.214 176.870 0.018 0.000 1.083 85 L CA 1.292 56.142 54.840 0.016 0.000 0.752 85 L CB -0.344 41.724 42.059 0.014 0.000 0.899 85 L HN 0.477 nan 8.230 nan 0.000 0.433 86 E N 0.314 120.523 120.200 0.015 0.000 2.047 86 E HA -0.200 4.149 4.350 -0.000 0.000 0.191 86 E C 2.007 178.618 176.600 0.018 0.000 0.987 86 E CA 1.171 57.581 56.400 0.016 0.000 0.799 86 E CB 0.041 29.749 29.700 0.012 0.000 0.752 86 E HN 0.478 nan 8.360 nan 0.000 0.449 87 E N -0.410 119.799 120.200 0.016 0.000 2.038 87 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 87 E C 2.075 178.690 176.600 0.025 0.000 1.000 87 E CA 1.784 58.195 56.400 0.018 0.000 0.803 87 E CB -0.167 29.538 29.700 0.009 0.000 0.750 87 E HN 0.206 nan 8.360 nan 0.000 0.448 88 T N 0.424 114.993 114.554 0.026 0.000 2.684 88 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 88 T C 2.054 176.776 174.700 0.036 0.000 1.036 88 T CA 1.543 63.663 62.100 0.033 0.000 1.148 88 T CB -0.330 68.558 68.868 0.034 0.000 0.863 88 T HN 0.109 nan 8.240 nan 0.000 0.436 89 S N 0.308 116.026 115.700 0.031 0.000 2.368 89 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 89 S C 2.165 176.784 174.600 0.032 0.000 1.030 89 S CA 1.180 59.398 58.200 0.030 0.000 0.999 89 S CB -0.510 62.705 63.200 0.025 0.000 0.844 89 S HN 0.297 nan 8.310 nan 0.000 0.459 90 V N 2.243 122.176 119.914 0.032 0.000 2.427 90 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 90 V C 2.426 178.548 176.094 0.046 0.000 1.051 90 V CA 1.640 63.962 62.300 0.036 0.000 1.048 90 V CB -0.638 31.205 31.823 0.033 0.000 0.666 90 V HN 0.533 nan 8.190 nan 0.000 0.456 91 L N -0.110 121.144 121.223 0.052 0.000 2.083 91 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 91 L C 2.458 179.365 176.870 0.062 0.000 1.083 91 L CA 2.230 57.112 54.840 0.069 0.000 0.752 91 L CB -0.667 41.435 42.059 0.072 0.000 0.899 91 L HN 0.416 nan 8.230 nan 0.000 0.433 92 T N -0.501 114.083 114.554 0.050 0.000 2.777 92 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 92 T C 1.796 176.518 174.700 0.038 0.000 1.040 92 T CA 1.401 63.527 62.100 0.043 0.000 1.141 92 T CB -0.094 68.796 68.868 0.037 0.000 0.868 92 T HN 0.437 nan 8.240 nan 0.000 0.444 93 Q N 0.546 120.367 119.800 0.035 0.000 2.079 93 Q HA 0.039 4.379 4.340 -0.000 0.000 0.200 93 Q C 2.721 178.738 176.000 0.029 0.000 0.974 93 Q CA 1.342 57.163 55.803 0.030 0.000 0.840 93 Q CB -0.289 28.466 28.738 0.027 0.000 0.898 93 Q HN 0.542 nan 8.270 nan 0.000 0.430 94 A N 0.854 123.696 122.820 0.037 0.000 1.898 94 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 94 A C 2.055 179.658 177.584 0.031 0.000 1.181 94 A CA 1.014 53.073 52.037 0.037 0.000 0.620 94 A CB -0.635 18.398 19.000 0.054 0.000 0.819 94 A HN 0.274 nan 8.150 nan 0.000 0.442 95 L N -0.845 120.402 121.223 0.040 0.000 2.046 95 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 95 L C 3.098 179.982 176.870 0.024 0.000 1.077 95 L CA 1.106 55.967 54.840 0.035 0.000 0.747 95 L CB -0.696 41.393 42.059 0.051 0.000 0.896 95 L HN 0.454 nan 8.230 nan 0.000 0.432 96 A N -0.237 122.597 122.820 0.024 0.000 1.902 96 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 96 A C 2.111 179.702 177.584 0.011 0.000 1.181 96 A CA 1.427 53.476 52.037 0.019 0.000 0.623 96 A CB -0.392 18.621 19.000 0.022 0.000 0.818 96 A HN 0.498 nan 8.150 nan 0.000 0.443 97 Q N 0.127 119.933 119.800 0.009 0.000 2.403 97 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 97 Q C 1.888 177.886 176.000 -0.004 0.000 0.932 97 Q CA 0.707 56.511 55.803 0.002 0.000 0.945 97 Q CB 0.010 28.751 28.738 0.005 0.000 1.045 97 Q HN 0.830 nan 8.270 nan 0.000 0.511 98 S N -0.983 114.715 115.700 -0.003 0.000 2.481 98 S HA 0.039 4.509 4.470 -0.000 0.000 0.231 98 S C 1.000 175.591 174.600 -0.016 0.000 0.996 98 S CA 0.442 58.635 58.200 -0.012 0.000 0.942 98 S CB 0.231 63.423 63.200 -0.014 0.000 0.768 98 S HN 0.337 nan 8.310 nan 0.000 0.520 99 G N -0.054 108.738 108.800 -0.013 0.000 3.247 99 G HA2 0.551 4.511 3.960 -0.000 0.000 0.199 99 G HA3 0.551 4.511 3.960 -0.000 0.000 0.199 99 G C -1.358 173.528 174.900 -0.023 0.000 1.172 99 G CA -0.919 44.170 45.100 -0.019 0.000 0.844 99 G HN 0.348 nan 8.290 nan 0.000 0.619 100 Q N -0.125 119.657 119.800 -0.031 0.000 2.259 100 Q HA 0.422 4.762 4.340 -0.000 0.000 0.246 100 Q C -0.643 175.328 176.000 -0.048 0.000 0.920 100 Q CA -0.379 55.396 55.803 -0.046 0.000 0.895 100 Q CB 1.779 30.480 28.738 -0.061 0.000 1.220 100 Q HN 0.441 nan 8.270 nan 0.000 0.439 101 Q N 1.693 121.457 119.800 -0.060 0.000 2.243 101 Q HA 0.313 4.653 4.340 -0.000 0.000 0.252 101 Q C -1.470 174.449 176.000 -0.136 0.000 0.909 101 Q CA -0.173 55.591 55.803 -0.065 0.000 0.922 101 Q CB 0.741 29.449 28.738 -0.049 0.000 1.215 101 Q HN 0.529 nan 8.270 nan 0.000 0.427 102 L N 3.883 125.009 121.223 -0.162 0.000 2.331 102 L HA 0.350 4.690 4.340 -0.000 0.000 0.278 102 L C 0.124 176.657 176.870 -0.561 0.000 1.106 102 L CA -0.234 54.358 54.840 -0.413 0.000 0.824 102 L CB 0.713 42.541 42.059 -0.384 0.000 1.142 102 L HN 0.598 nan 8.230 nan 0.000 0.443 103 E N 3.003 122.763 120.200 -0.733 0.000 2.187 103 E HA 0.383 4.733 4.350 -0.000 0.000 0.268 103 E C -1.462 174.727 176.600 -0.686 0.000 0.896 103 E CA -0.435 55.651 56.400 -0.524 0.000 0.766 103 E CB 2.041 31.567 29.700 -0.290 0.000 1.142 103 E HN 0.392 nan 8.360 nan 0.000 0.408 104 W N 1.318 122.599 121.300 -0.031 0.000 2.882 104 W HA 0.389 5.049 4.660 -0.000 0.000 0.345 104 W C -2.082 174.296 176.519 -0.235 0.000 1.125 104 W CA -2.085 55.198 57.345 -0.105 0.000 1.167 104 W CB 0.018 29.546 29.460 0.114 0.000 1.431 104 W HN 0.286 nan 8.180 nan 0.000 0.543 105 P HA -0.101 nan 4.420 nan 0.000 0.264 105 P C 1.034 178.251 177.300 -0.139 0.000 1.179 105 P CA 0.362 63.238 63.100 -0.374 0.000 0.763 105 P CB 0.702 31.878 31.700 -0.873 0.000 0.806 106 E N 3.000 123.163 120.200 -0.061 0.000 2.130 106 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 106 E C 1.544 178.190 176.600 0.077 0.000 0.998 106 E CA 2.146 58.560 56.400 0.024 0.000 0.806 106 E CB -1.400 28.305 29.700 0.008 0.000 0.738 106 E HN 0.475 nan 8.360 nan 0.000 0.459 107 A N 0.304 123.165 122.820 0.068 0.000 2.125 107 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 107 A C 1.563 179.359 177.584 0.355 0.000 1.156 107 A CA 1.063 53.205 52.037 0.175 0.000 0.671 107 A CB -0.892 18.211 19.000 0.172 0.000 0.794 107 A HN 0.331 nan 8.150 nan 0.000 0.459 108 W N -0.281 121.046 121.300 0.045 0.000 2.863 108 W HA 0.198 4.858 4.660 -0.000 0.000 0.258 108 W C 2.069 178.597 176.519 0.016 0.000 1.298 108 W CA -0.284 57.067 57.345 0.011 0.000 1.451 108 W CB -0.642 28.810 29.460 -0.013 0.000 1.107 108 W HN 0.443 nan 8.180 nan 0.000 0.641 109 R N 0.682 121.342 120.500 0.266 0.000 2.134 109 R HA -0.255 4.085 4.340 -0.000 0.000 0.248 109 R C 2.001 178.381 176.300 0.134 0.000 1.143 109 R CA 2.058 58.267 56.100 0.182 0.000 0.957 109 R CB -0.349 30.031 30.300 0.134 0.000 0.867 109 R HN 0.096 nan 8.270 nan 0.000 0.441 110 Q N -0.278 119.599 119.800 0.129 0.000 2.331 110 Q HA -0.086 4.253 4.340 -0.000 0.000 0.203 110 Q C 1.832 177.969 176.000 0.229 0.000 0.944 110 Q CA 1.089 56.964 55.803 0.120 0.000 0.892 110 Q CB 0.386 29.171 28.738 0.078 0.000 0.983 110 Q HN 0.591 nan 8.270 nan 0.000 0.482 111 Q N -0.141 119.750 119.800 0.151 0.000 2.389 111 Q HA 0.069 4.409 4.340 -0.000 0.000 0.204 111 Q C 0.137 176.095 176.000 -0.071 0.000 0.944 111 Q CA 0.074 55.885 55.803 0.012 0.000 0.908 111 Q CB 0.264 28.918 28.738 -0.141 0.000 1.002 111 Q HN 0.239 nan 8.270 nan 0.000 0.493 112 L N 2.249 123.450 121.223 -0.037 0.000 2.385 112 L HA 0.126 4.465 4.340 -0.000 0.000 0.281 112 L C -0.202 176.651 176.870 -0.028 0.000 1.106 112 L CA -0.455 54.330 54.840 -0.091 0.000 0.856 112 L CB 0.177 42.190 42.059 -0.076 0.000 1.186 112 L HN -0.093 nan 8.230 nan 0.000 0.453 113 V N -0.594 119.290 119.914 -0.051 0.000 3.078 113 V HA 0.801 4.921 4.120 -0.000 0.000 0.311 113 V C -1.166 174.927 176.094 -0.003 0.000 1.138 113 V CA -0.659 61.637 62.300 -0.006 0.000 1.007 113 V CB 2.524 34.349 31.823 0.004 0.000 1.045 113 V HN 0.560 nan 8.190 nan 0.000 0.432 114 D N 0.738 121.157 120.400 0.033 0.000 2.599 114 D HA 0.505 5.145 4.640 -0.000 0.000 0.252 114 D C -1.747 174.597 176.300 0.073 0.000 1.232 114 D CA -0.425 53.607 54.000 0.052 0.000 0.819 114 D CB 2.732 43.581 40.800 0.080 0.000 1.401 114 D HN 0.789 nan 8.370 nan 0.000 0.429 115 K N 1.269 121.716 120.400 0.079 0.000 2.371 115 K HA 0.476 4.796 4.320 -0.000 0.000 0.251 115 K C -1.686 174.988 176.600 0.124 0.000 0.934 115 K CA -0.511 55.828 56.287 0.086 0.000 0.798 115 K CB 1.488 34.013 32.500 0.041 0.000 1.204 115 K HN 0.653 nan 8.250 nan 0.000 0.427 116 H N -0.444 118.654 119.070 0.047 0.000 2.851 116 H HA 0.463 5.019 4.556 -0.000 0.000 0.372 116 H C -1.104 174.255 175.328 0.051 0.000 1.158 116 H CA -0.190 55.889 56.048 0.053 0.000 1.159 116 H CB 1.807 31.607 29.762 0.063 0.000 1.757 116 H HN 0.474 nan 8.280 nan 0.000 0.546 117 S N 0.676 116.369 115.700 -0.010 0.000 2.537 117 S HA 0.127 4.597 4.470 -0.000 0.000 0.301 117 S C 0.907 175.595 174.600 0.146 0.000 1.092 117 S CA -0.184 58.050 58.200 0.057 0.000 1.048 117 S CB 1.517 64.704 63.200 -0.020 0.000 1.053 117 S HN 0.827 nan 8.310 nan 0.000 0.501 118 T N -0.762 113.861 114.554 0.115 0.000 3.085 118 T HA 0.408 4.758 4.350 -0.000 0.000 0.263 118 T C 0.847 175.555 174.700 0.013 0.000 1.127 118 T CA 0.365 62.514 62.100 0.082 0.000 1.103 118 T CB -0.449 68.456 68.868 0.062 0.000 0.921 118 T HN 1.293 nan 8.240 nan 0.000 0.510 119 G N -1.198 107.605 108.800 0.005 0.000 2.535 119 G HA2 0.455 4.415 3.960 -0.000 0.000 0.662 119 G HA3 0.455 4.415 3.960 -0.000 0.000 0.662 119 G C -0.455 174.428 174.900 -0.028 0.000 1.417 119 G CA -0.556 44.526 45.100 -0.030 0.000 0.866 119 G HN 1.077 nan 8.290 nan 0.000 0.647 120 G N -0.694 108.090 108.800 -0.027 0.000 2.768 120 G HA2 0.674 4.634 3.960 -0.000 0.000 0.297 120 G HA3 0.674 4.634 3.960 -0.000 0.000 0.297 120 G C -0.640 174.253 174.900 -0.013 0.000 1.430 120 G CA -0.026 45.064 45.100 -0.017 0.000 1.030 120 G HN 1.498 nan 8.290 nan 0.000 0.553 121 V N 1.854 121.773 119.914 0.008 0.000 2.479 121 V HA 0.457 4.577 4.120 -0.000 0.000 0.281 121 V C 1.622 177.711 176.094 -0.009 0.000 1.031 121 V CA 1.571 63.880 62.300 0.015 0.000 1.038 121 V CB 0.651 32.503 31.823 0.050 0.000 0.981 121 V HN 2.184 nan 8.190 nan 0.000 0.478 122 G N 4.037 112.818 108.800 -0.030 0.000 2.143 122 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 122 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 122 G C 0.047 174.918 174.900 -0.048 0.000 0.991 122 G CA 0.232 45.306 45.100 -0.044 0.000 0.689 122 G HN 0.848 nan 8.290 nan 0.000 0.522 123 D N 0.839 121.210 120.400 -0.048 0.000 2.393 123 D HA 0.333 4.973 4.640 -0.000 0.000 0.232 123 D C 1.322 177.585 176.300 -0.061 0.000 1.192 123 D CA -0.257 53.713 54.000 -0.049 0.000 0.882 123 D CB 0.181 40.956 40.800 -0.040 0.000 1.038 123 D HN 0.487 nan 8.370 nan 0.000 0.499 124 K N 3.025 123.384 120.400 -0.068 0.000 2.618 124 K HA 0.098 4.418 4.320 -0.000 0.000 0.207 124 K C 0.610 177.158 176.600 -0.086 0.000 1.058 124 K CA -0.330 55.909 56.287 -0.081 0.000 1.086 124 K CB 0.249 32.694 32.500 -0.093 0.000 0.827 124 K HN 0.135 nan 8.250 nan 0.000 0.481 125 V N 1.165 121.037 119.914 -0.071 0.000 2.380 125 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 125 V C 2.050 178.101 176.094 -0.072 0.000 1.063 125 V CA 2.218 64.477 62.300 -0.067 0.000 1.055 125 V CB -0.416 31.378 31.823 -0.049 0.000 0.657 125 V HN 0.478 nan 8.190 nan 0.000 0.455 126 S N -0.401 115.258 115.700 -0.069 0.000 2.406 126 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 126 S C 1.847 176.415 174.600 -0.053 0.000 1.020 126 S CA 1.091 59.257 58.200 -0.057 0.000 0.965 126 S CB -0.256 62.905 63.200 -0.065 0.000 0.798 126 S HN 0.489 nan 8.310 nan 0.000 0.488 127 L N 0.883 122.056 121.223 -0.082 0.000 2.131 127 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 127 L C 2.087 178.809 176.870 -0.245 0.000 1.092 127 L CA 0.910 55.676 54.840 -0.123 0.000 0.759 127 L CB -0.518 41.437 42.059 -0.173 0.000 0.903 127 L HN 0.237 nan 8.230 nan 0.000 0.435 128 V N -1.146 118.644 119.914 -0.206 0.000 2.599 128 V HA -0.137 3.982 4.120 -0.000 0.000 0.245 128 V C 2.057 178.082 176.094 -0.115 0.000 1.046 128 V CA 0.724 62.899 62.300 -0.207 0.000 1.065 128 V CB -0.000 31.724 31.823 -0.165 0.000 0.703 128 V HN 0.236 nan 8.190 nan 0.000 0.464 129 L N 0.883 122.060 121.223 -0.076 0.000 2.131 129 L HA 0.165 4.505 4.340 -0.000 0.000 0.206 129 L C 2.438 179.290 176.870 -0.030 0.000 1.087 129 L CA 1.980 56.792 54.840 -0.047 0.000 0.767 129 L CB -0.903 41.135 42.059 -0.035 0.000 0.917 129 L HN 0.210 nan 8.230 nan 0.000 0.441 130 A N 1.007 123.819 122.820 -0.013 0.000 1.851 130 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 130 A C -0.100 177.489 177.584 0.010 0.000 1.195 130 A CA 2.068 54.109 52.037 0.007 0.000 0.622 130 A CB -2.149 16.878 19.000 0.045 0.000 0.831 130 A HN 0.466 nan 8.150 nan 0.000 0.444 131 P HA -0.041 nan 4.420 nan 0.000 0.219 131 P C 1.524 178.825 177.300 0.001 0.000 1.150 131 P CA 1.718 64.852 63.100 0.057 0.000 0.814 131 P CB -0.132 31.666 31.700 0.162 0.000 0.787 132 A N 0.413 123.220 122.820 -0.023 0.000 1.902 132 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 132 A C 2.411 179.968 177.584 -0.045 0.000 1.181 132 A CA 1.312 53.327 52.037 -0.036 0.000 0.623 132 A CB -1.597 17.376 19.000 -0.045 0.000 0.818 132 A HN 0.122 nan 8.150 nan 0.000 0.443 133 L N -0.901 120.292 121.223 -0.050 0.000 2.056 133 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 133 L C 3.113 179.921 176.870 -0.104 0.000 1.078 133 L CA 0.923 55.720 54.840 -0.072 0.000 0.749 133 L CB -0.571 41.448 42.059 -0.066 0.000 0.901 133 L HN 0.441 nan 8.230 nan 0.000 0.433 134 A N 0.245 123.007 122.820 -0.097 0.000 1.908 134 A HA -0.234 4.085 4.320 -0.000 0.000 0.218 134 A C 2.474 179.995 177.584 -0.105 0.000 1.181 134 A CA 1.896 53.860 52.037 -0.121 0.000 0.627 134 A CB -0.700 18.242 19.000 -0.096 0.000 0.818 134 A HN 0.420 nan 8.150 nan 0.000 0.445 135 A N -1.605 121.173 122.820 -0.070 0.000 2.067 135 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 135 A C 1.811 179.355 177.584 -0.067 0.000 1.158 135 A CA 1.399 53.402 52.037 -0.057 0.000 0.661 135 A CB -0.916 18.063 19.000 -0.035 0.000 0.801 135 A HN 0.605 nan 8.150 nan 0.000 0.452 136 C N -0.579 118.671 119.300 -0.083 0.000 2.559 136 C HA 0.475 4.934 4.460 -0.000 0.000 0.300 136 C C 1.784 176.688 174.990 -0.143 0.000 1.288 136 C CA 0.015 58.978 59.018 -0.092 0.000 1.699 136 C CB -1.424 26.268 27.740 -0.079 0.000 1.819 136 C HN 1.028 nan 8.230 nan 0.000 0.600 137 G N 0.155 108.862 108.800 -0.154 0.000 2.160 137 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.244 137 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.244 137 G C -0.017 174.710 174.900 -0.288 0.000 1.022 137 G CA 0.105 45.088 45.100 -0.195 0.000 0.741 137 G HN 0.545 nan 8.290 nan 0.000 0.508 138 C N 0.159 119.290 119.300 -0.281 0.000 2.401 138 C HA 0.844 5.304 4.460 -0.000 0.000 0.356 138 C C 0.203 175.008 174.990 -0.307 0.000 1.192 138 C CA -1.056 57.779 59.018 -0.305 0.000 2.028 138 C CB 1.781 29.373 27.740 -0.246 0.000 2.344 138 C HN 0.407 nan 8.230 nan 0.000 0.525 139 K N 1.542 121.740 120.400 -0.336 0.000 2.274 139 K HA 0.577 4.897 4.320 -0.000 0.000 0.262 139 K C -1.367 175.054 176.600 -0.299 0.000 0.961 139 K CA -0.316 55.721 56.287 -0.417 0.000 0.833 139 K CB 1.638 33.754 32.500 -0.640 0.000 1.102 139 K HN 0.428 nan 8.250 nan 0.000 0.436 140 V N 4.950 124.717 119.914 -0.245 0.000 2.289 140 V HA 0.205 4.325 4.120 -0.000 0.000 0.272 140 V C -2.174 173.850 176.094 -0.117 0.000 1.026 140 V CA -1.489 60.726 62.300 -0.142 0.000 0.807 140 V CB 1.351 33.128 31.823 -0.077 0.000 1.044 140 V HN 0.528 nan 8.190 nan 0.000 0.443 141 P HA 0.191 nan 4.420 nan 0.000 0.214 141 P C -0.058 177.297 177.300 0.091 0.000 1.826 141 P CA -0.206 62.882 63.100 -0.020 0.000 0.977 141 P CB 0.297 31.983 31.700 -0.022 0.000 1.930 142 M N 2.936 122.582 119.600 0.077 0.000 2.220 142 M HA 0.211 4.690 4.480 -0.000 0.000 0.343 142 M C -0.473 175.903 176.300 0.126 0.000 1.470 142 M CA -0.225 55.137 55.300 0.104 0.000 1.161 142 M CB -0.108 32.541 32.600 0.082 0.000 1.737 142 M HN 0.033 nan 8.290 nan 0.000 0.464 143 I N 4.161 124.817 120.570 0.144 0.000 2.312 143 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 143 I C 0.300 176.517 176.117 0.167 0.000 1.031 143 I CA -0.155 61.222 61.300 0.128 0.000 1.293 143 I CB 1.235 39.299 38.000 0.107 0.000 1.403 143 I HN 0.671 nan 8.210 nan 0.000 0.484 144 S N 3.862 119.632 115.700 0.118 0.000 2.788 144 S HA 0.910 5.380 4.470 -0.000 0.000 0.291 144 S C -0.218 174.398 174.600 0.028 0.000 1.061 144 S CA -0.309 57.959 58.200 0.114 0.000 0.923 144 S CB 1.801 65.023 63.200 0.036 0.000 1.339 144 S HN 0.752 nan 8.310 nan 0.000 0.591 145 G N -0.071 108.729 108.800 -0.000 0.000 2.690 145 G HA2 0.588 4.548 3.960 -0.000 0.000 0.291 145 G HA3 0.588 4.548 3.960 -0.000 0.000 0.291 145 G C -1.294 173.617 174.900 0.017 0.000 1.403 145 G CA -0.741 44.264 45.100 -0.159 0.000 0.864 145 G HN 0.661 nan 8.290 nan 0.000 0.480 146 R N -0.846 119.671 120.500 0.029 0.000 2.584 146 R HA 0.519 4.859 4.340 -0.000 0.000 0.253 146 R C 1.206 177.697 176.300 0.318 0.000 1.251 146 R CA 0.032 56.238 56.100 0.177 0.000 1.129 146 R CB 0.136 30.521 30.300 0.141 0.000 1.239 146 R HN 0.615 nan 8.270 nan 0.000 0.595 147 G N 0.018 108.955 108.800 0.229 0.000 2.664 147 G HA2 0.303 4.263 3.960 -0.000 0.000 0.242 147 G HA3 0.303 4.263 3.960 -0.000 0.000 0.242 147 G C -1.078 173.906 174.900 0.141 0.000 1.225 147 G CA -0.187 45.023 45.100 0.183 0.000 0.849 147 G HN 0.179 nan 8.290 nan 0.000 0.581 148 L N 1.107 122.348 121.223 0.030 0.000 2.676 148 L HA 0.546 4.886 4.340 -0.000 0.000 0.262 148 L C 0.735 177.533 176.870 -0.120 0.000 0.965 148 L CA 1.120 55.896 54.840 -0.107 0.000 0.920 148 L CB 0.840 42.746 42.059 -0.255 0.000 1.260 148 L HN 1.538 nan 8.230 nan 0.000 0.422 149 G N 3.378 112.140 108.800 -0.064 0.000 2.565 149 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.295 149 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.295 149 G C 0.653 175.536 174.900 -0.029 0.000 1.165 149 G CA 0.579 45.624 45.100 -0.092 0.000 0.977 149 G HN 1.185 nan 8.290 nan 0.000 0.546 150 H N 0.585 119.628 119.070 -0.046 0.000 2.517 150 H HA 0.400 4.956 4.556 -0.000 0.000 0.282 150 H C 0.111 175.468 175.328 0.048 0.000 1.023 150 H CA 0.943 56.992 56.048 0.001 0.000 1.169 150 H CB -0.274 29.438 29.762 -0.083 0.000 1.454 150 H HN 0.382 nan 8.280 nan 0.000 0.556 151 T N 1.211 115.697 114.554 -0.113 0.000 2.797 151 T HA 0.459 4.808 4.350 -0.000 0.000 0.279 151 T C 0.773 175.484 174.700 0.018 0.000 0.991 151 T CA -0.315 61.754 62.100 -0.052 0.000 0.979 151 T CB 1.886 70.673 68.868 -0.135 0.000 0.943 151 T HN 0.493 nan 8.240 nan 0.000 0.444 152 G N 1.066 109.878 108.800 0.020 0.000 2.572 152 G HA2 0.563 4.523 3.960 -0.000 0.000 0.261 152 G HA3 0.563 4.523 3.960 -0.000 0.000 0.261 152 G C 0.020 174.956 174.900 0.059 0.000 1.197 152 G CA -0.602 44.526 45.100 0.046 0.000 0.870 152 G HN 0.901 nan 8.290 nan 0.000 0.548 153 G N -1.036 107.839 108.800 0.125 0.000 2.495 153 G HA2 0.441 4.401 3.960 -0.000 0.000 0.318 153 G HA3 0.441 4.401 3.960 -0.000 0.000 0.318 153 G C 0.778 175.729 174.900 0.086 0.000 1.257 153 G CA 0.029 45.195 45.100 0.111 0.000 0.962 153 G HN 0.486 nan 8.290 nan 0.000 0.483 154 T N 2.123 116.697 114.554 0.034 0.000 2.699 154 T HA -0.177 4.172 4.350 -0.000 0.000 0.268 154 T C 2.491 177.198 174.700 0.012 0.000 1.036 154 T CA 1.272 63.375 62.100 0.005 0.000 1.147 154 T CB -0.256 68.598 68.868 -0.023 0.000 0.862 154 T HN 0.331 nan 8.240 nan 0.000 0.446 155 L N 0.808 122.050 121.223 0.032 0.000 2.083 155 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 155 L C 2.493 179.380 176.870 0.028 0.000 1.083 155 L CA 1.207 56.067 54.840 0.034 0.000 0.752 155 L CB -0.622 41.460 42.059 0.038 0.000 0.899 155 L HN 0.190 nan 8.230 nan 0.000 0.433 156 D N 0.282 120.717 120.400 0.058 0.000 2.149 156 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 156 D C 2.171 178.523 176.300 0.087 0.000 0.972 156 D CA 1.019 55.033 54.000 0.024 0.000 0.835 156 D CB 0.026 40.832 40.800 0.010 0.000 0.966 156 D HN 0.326 nan 8.370 nan 0.000 0.476 157 K N 0.533 121.064 120.400 0.218 0.000 2.009 157 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 157 K C 2.363 178.955 176.600 -0.014 0.000 1.049 157 K CA 0.689 57.065 56.287 0.148 0.000 0.929 157 K CB -0.252 32.278 32.500 0.050 0.000 0.714 157 K HN 0.100 nan 8.250 nan 0.000 0.440 158 L N 1.398 122.543 121.223 -0.130 0.000 2.127 158 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 158 L C 2.058 178.761 176.870 -0.279 0.000 1.089 158 L CA 1.275 55.882 54.840 -0.388 0.000 0.757 158 L CB -0.338 41.246 42.059 -0.792 0.000 0.899 158 L HN 0.233 nan 8.230 nan 0.000 0.434 159 E N -0.406 119.737 120.200 -0.096 0.000 2.472 159 E HA -0.140 4.210 4.350 -0.000 0.000 0.200 159 E C 2.100 178.694 176.600 -0.010 0.000 1.046 159 E CA 0.954 57.353 56.400 -0.001 0.000 0.871 159 E CB 0.013 29.719 29.700 0.011 0.000 0.806 159 E HN 0.570 nan 8.360 nan 0.000 0.533 160 S N 0.490 116.174 115.700 -0.026 0.000 2.481 160 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 160 S C 1.015 175.615 174.600 -0.000 0.000 0.996 160 S CA 0.235 58.429 58.200 -0.010 0.000 0.942 160 S CB -0.307 62.897 63.200 0.007 0.000 0.768 160 S HN 0.103 nan 8.310 nan 0.000 0.520 161 I N 3.419 123.985 120.570 -0.006 0.000 2.363 161 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 161 I C -2.601 173.556 176.117 0.067 0.000 1.075 161 I CA -2.459 58.855 61.300 0.022 0.000 1.333 161 I CB 0.409 38.408 38.000 -0.001 0.000 1.415 161 I HN -0.090 nan 8.210 nan 0.000 0.502 162 P HA 0.011 nan 4.420 nan 0.000 0.260 162 P C 0.930 178.265 177.300 0.058 0.000 1.185 162 P CA 0.761 63.887 63.100 0.043 0.000 0.763 162 P CB 0.553 32.268 31.700 0.024 0.000 0.776 163 G N 2.842 111.678 108.800 0.059 0.000 2.195 163 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 163 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 163 G C 0.045 174.976 174.900 0.053 0.000 0.984 163 G CA -0.563 44.560 45.100 0.039 0.000 0.633 163 G HN 0.522 nan 8.290 nan 0.000 0.525 164 F N 2.395 122.326 119.950 -0.032 0.000 2.533 164 F HA 0.550 5.077 4.527 -0.000 0.000 0.378 164 F C 0.423 176.208 175.800 -0.026 0.000 1.070 164 F CA -0.685 57.292 58.000 -0.037 0.000 1.172 164 F CB 0.538 39.515 39.000 -0.039 0.000 1.085 164 F HN 0.083 nan 8.300 nan 0.000 0.552 165 N N 5.181 123.657 118.700 -0.372 0.000 2.457 165 N HA 0.157 4.897 4.740 -0.000 0.000 0.250 165 N C 0.663 176.043 175.510 -0.217 0.000 0.982 165 N CA -0.410 52.521 53.050 -0.198 0.000 0.941 165 N CB 1.411 39.791 38.487 -0.178 0.000 1.120 165 N HN 0.495 nan 8.380 nan 0.000 0.505 166 V N 1.927 121.869 119.914 0.046 0.000 3.041 166 V HA 0.273 4.393 4.120 -0.000 0.000 0.260 166 V C 0.872 176.986 176.094 0.033 0.000 1.105 166 V CA 0.769 63.142 62.300 0.122 0.000 1.125 166 V CB -0.442 31.483 31.823 0.169 0.000 0.730 166 V HN 0.498 nan 8.190 nan 0.000 0.479 167 I N 1.732 122.299 120.570 -0.006 0.000 2.304 167 I HA 0.581 4.751 4.170 -0.000 0.000 0.291 167 I C -0.384 175.715 176.117 -0.030 0.000 1.018 167 I CA 0.078 61.372 61.300 -0.011 0.000 1.260 167 I CB 1.326 39.320 38.000 -0.010 0.000 1.390 167 I HN 0.289 nan 8.210 nan 0.000 0.475 168 Q N 4.464 124.255 119.800 -0.014 0.000 2.268 168 Q HA 0.278 4.617 4.340 -0.000 0.000 0.266 168 Q C -0.512 175.492 176.000 0.006 0.000 1.006 168 Q CA -0.475 55.320 55.803 -0.013 0.000 0.824 168 Q CB 2.151 30.882 28.738 -0.011 0.000 1.306 168 Q HN 0.743 nan 8.270 nan 0.000 0.424 169 S N 2.690 118.389 115.700 -0.001 0.000 2.593 169 S HA 0.345 4.815 4.470 -0.000 0.000 0.269 169 S C -1.705 172.897 174.600 0.005 0.000 1.334 169 S CA -0.718 57.479 58.200 -0.005 0.000 1.015 169 S CB 0.710 63.901 63.200 -0.015 0.000 0.912 169 S HN 0.526 nan 8.310 nan 0.000 0.541 170 P HA -0.216 nan 4.420 nan 0.000 0.217 170 P C 1.604 178.872 177.300 -0.054 0.000 1.151 170 P CA 1.705 64.767 63.100 -0.064 0.000 0.849 170 P CB -0.061 31.568 31.700 -0.119 0.000 0.787 171 E N -0.040 120.139 120.200 -0.036 0.000 2.112 171 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 171 E C 1.907 178.532 176.600 0.041 0.000 0.979 171 E CA 1.064 57.458 56.400 -0.010 0.000 0.814 171 E CB -1.003 28.683 29.700 -0.024 0.000 0.762 171 E HN 0.344 nan 8.360 nan 0.000 0.460 172 Q N 0.205 120.026 119.800 0.036 0.000 2.124 172 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 172 Q C 2.365 178.424 176.000 0.098 0.000 0.977 172 Q CA 1.632 57.463 55.803 0.046 0.000 0.850 172 Q CB -0.164 28.582 28.738 0.014 0.000 0.901 172 Q HN 0.320 nan 8.270 nan 0.000 0.429 173 M N 0.091 119.777 119.600 0.143 0.000 2.213 173 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 173 M C 2.065 178.616 176.300 0.419 0.000 1.062 173 M CA 1.230 56.688 55.300 0.262 0.000 1.105 173 M CB -0.141 32.669 32.600 0.351 0.000 1.385 173 M HN 0.217 nan 8.290 nan 0.000 0.417 174 Q N -0.226 119.834 119.800 0.433 0.000 2.084 174 Q HA -0.147 4.192 4.340 -0.000 0.000 0.202 174 Q C 2.238 178.461 176.000 0.372 0.000 0.978 174 Q CA 1.574 57.691 55.803 0.523 0.000 0.844 174 Q CB -0.458 28.447 28.738 0.278 0.000 0.898 174 Q HN 0.428 nan 8.270 nan 0.000 0.426 175 V N 1.499 121.542 119.914 0.216 0.000 2.343 175 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 175 V C 2.427 178.591 176.094 0.117 0.000 1.051 175 V CA 1.416 63.803 62.300 0.145 0.000 1.036 175 V CB -0.696 31.174 31.823 0.080 0.000 0.654 175 V HN 0.264 nan 8.190 nan 0.000 0.451 176 L N -0.671 120.613 121.223 0.102 0.000 2.017 176 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 176 L C 2.467 179.348 176.870 0.018 0.000 1.073 176 L CA 1.436 56.304 54.840 0.047 0.000 0.745 176 L CB -0.694 41.387 42.059 0.037 0.000 0.894 176 L HN 0.269 nan 8.230 nan 0.000 0.432 177 L N -0.323 120.919 121.223 0.032 0.000 2.191 177 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 177 L C 2.094 178.860 176.870 -0.174 0.000 1.103 177 L CA 1.507 56.256 54.840 -0.152 0.000 0.769 177 L CB -0.728 41.170 42.059 -0.269 0.000 0.908 177 L HN 0.349 nan 8.230 nan 0.000 0.438 178 D N -0.479 119.976 120.400 0.092 0.000 2.123 178 D HA -0.163 4.476 4.640 -0.000 0.000 0.200 178 D C 2.326 178.647 176.300 0.035 0.000 0.976 178 D CA 1.101 55.188 54.000 0.145 0.000 0.831 178 D CB 0.273 41.227 40.800 0.257 0.000 0.974 178 D HN 0.284 nan 8.370 nan 0.000 0.469 179 Q N -0.840 118.973 119.800 0.022 0.000 2.089 179 Q HA 0.144 4.484 4.340 -0.000 0.000 0.195 179 Q C 1.585 177.568 176.000 -0.028 0.000 0.963 179 Q CA 1.208 57.011 55.803 0.000 0.000 0.834 179 Q CB 0.215 28.955 28.738 0.003 0.000 0.906 179 Q HN 0.254 nan 8.270 nan 0.000 0.452 180 A N -0.865 121.927 122.820 -0.045 0.000 2.324 180 A HA 0.427 4.747 4.320 -0.000 0.000 0.220 180 A C 1.402 178.933 177.584 -0.088 0.000 1.209 180 A CA 0.703 52.710 52.037 -0.050 0.000 0.918 180 A CB 0.504 19.486 19.000 -0.031 0.000 0.959 180 A HN 0.406 nan 8.150 nan 0.000 0.507 181 G N -1.125 107.584 108.800 -0.152 0.000 2.179 181 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.260 181 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.260 181 G C 0.488 175.256 174.900 -0.220 0.000 0.977 181 G CA 0.677 45.630 45.100 -0.244 0.000 0.641 181 G HN 2.000 nan 8.290 nan 0.000 0.533 182 C N -1.667 117.553 119.300 -0.134 0.000 3.321 182 C HA 0.911 5.370 4.460 -0.000 0.000 0.329 182 C C 0.109 175.085 174.990 -0.023 0.000 1.394 182 C CA -0.665 58.304 59.018 -0.082 0.000 1.291 182 C CB 1.442 29.163 27.740 -0.032 0.000 1.606 182 C HN 2.068 nan 8.230 nan 0.000 0.463 183 C N 0.399 119.710 119.300 0.018 0.000 3.284 183 C HA 0.806 5.266 4.460 -0.000 0.000 0.338 183 C C -1.339 173.719 174.990 0.113 0.000 1.237 183 C CA -0.645 58.416 59.018 0.072 0.000 1.276 183 C CB 0.155 27.932 27.740 0.061 0.000 1.601 183 C HN 1.092 nan 8.230 nan 0.000 0.494 184 I N 3.098 123.779 120.570 0.184 0.000 2.439 184 I HA 0.627 4.797 4.170 -0.000 0.000 0.283 184 I C 0.097 176.343 176.117 0.215 0.000 1.023 184 I CA -0.443 60.970 61.300 0.188 0.000 1.100 184 I CB 1.548 39.658 38.000 0.182 0.000 1.238 184 I HN 0.848 nan 8.210 nan 0.000 0.445 185 V N 2.401 122.402 119.914 0.145 0.000 3.113 185 V HA 1.004 5.124 4.120 -0.000 0.000 0.316 185 V C 0.111 176.255 176.094 0.083 0.000 1.125 185 V CA -0.502 61.867 62.300 0.116 0.000 1.026 185 V CB 1.676 33.551 31.823 0.087 0.000 1.080 185 V HN 0.659 nan 8.190 nan 0.000 0.444 186 G N 0.812 109.643 108.800 0.052 0.000 2.552 186 G HA2 0.560 4.520 3.960 -0.000 0.000 0.324 186 G HA3 0.560 4.520 3.960 -0.000 0.000 0.324 186 G C -0.503 174.392 174.900 -0.008 0.000 1.217 186 G CA -0.770 44.333 45.100 0.005 0.000 0.989 186 G HN 1.042 nan 8.290 nan 0.000 0.490 187 Q N -0.364 119.407 119.800 -0.049 0.000 2.392 187 Q HA 0.382 4.721 4.340 -0.000 0.000 0.262 187 Q C -0.019 175.964 176.000 -0.027 0.000 1.003 187 Q CA 0.046 55.826 55.803 -0.039 0.000 0.888 187 Q CB 0.980 29.680 28.738 -0.064 0.000 1.260 187 Q HN 0.668 nan 8.270 nan 0.000 0.435 188 S N 0.488 116.178 115.700 -0.016 0.000 2.973 188 S HA 0.274 4.744 4.470 -0.000 0.000 0.317 188 S C 0.488 175.080 174.600 -0.014 0.000 1.196 188 S CA -0.630 57.562 58.200 -0.013 0.000 0.894 188 S CB 0.804 63.998 63.200 -0.009 0.000 1.292 188 S HN 0.609 nan 8.310 nan 0.000 0.614 189 E N 0.366 120.557 120.200 -0.015 0.000 2.274 189 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 189 E C 1.302 177.890 176.600 -0.019 0.000 0.996 189 E CA 0.806 57.196 56.400 -0.017 0.000 0.840 189 E CB -0.114 29.576 29.700 -0.017 0.000 0.772 189 E HN 0.416 nan 8.360 nan 0.000 0.491 190 Q N -0.151 119.638 119.800 -0.018 0.000 2.373 190 Q HA 0.166 4.506 4.340 -0.000 0.000 0.210 190 Q C 0.711 176.699 176.000 -0.019 0.000 0.913 190 Q CA 0.468 56.258 55.803 -0.022 0.000 0.911 190 Q CB 0.598 29.320 28.738 -0.026 0.000 1.040 190 Q HN 0.241 nan 8.270 nan 0.000 0.521 191 L N 1.149 122.366 121.223 -0.011 0.000 2.294 191 L HA 0.293 4.633 4.340 -0.000 0.000 0.283 191 L C 0.080 176.949 176.870 -0.002 0.000 1.015 191 L CA -0.845 53.994 54.840 -0.002 0.000 0.831 191 L CB 1.880 43.946 42.059 0.011 0.000 1.217 191 L HN -0.226 nan 8.230 nan 0.000 0.420 192 V N 3.727 123.641 119.914 0.000 0.000 5.482 192 V HA -0.224 3.895 4.120 -0.000 0.000 0.262 192 V C -1.098 174.994 176.094 -0.003 0.000 0.664 192 V CA 0.532 62.834 62.300 0.003 0.000 0.609 192 V CB -1.434 30.396 31.823 0.011 0.000 0.306 192 V HN 0.783 nan 8.190 nan 0.000 0.731 193 P HA -0.188 nan 4.420 nan 0.000 0.216 193 P C 1.648 178.941 177.300 -0.011 0.000 1.150 193 P CA 2.201 65.293 63.100 -0.013 0.000 0.837 193 P CB 0.253 31.941 31.700 -0.020 0.000 0.786 194 A N 0.177 122.989 122.820 -0.012 0.000 1.972 194 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 194 A C 2.180 179.779 177.584 0.025 0.000 1.169 194 A CA 2.143 54.171 52.037 -0.015 0.000 0.635 194 A CB -1.605 17.380 19.000 -0.026 0.000 0.810 194 A HN 0.176 nan 8.150 nan 0.000 0.446 195 D N -0.717 119.708 120.400 0.041 0.000 2.117 195 D HA -0.016 4.623 4.640 -0.000 0.000 0.198 195 D C 1.998 178.357 176.300 0.099 0.000 0.982 195 D CA 1.610 55.661 54.000 0.084 0.000 0.828 195 D CB -0.447 40.398 40.800 0.074 0.000 0.967 195 D HN 0.269 nan 8.370 nan 0.000 0.464 196 G N 1.091 109.909 108.800 0.029 0.000 2.459 196 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.217 196 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.217 196 G C 1.684 176.624 174.900 0.067 0.000 1.183 196 G CA 1.065 46.169 45.100 0.006 0.000 0.776 196 G HN 0.323 nan 8.290 nan 0.000 0.552 197 I N 0.239 120.838 120.570 0.048 0.000 2.127 197 I HA -0.132 4.038 4.170 -0.000 0.000 0.241 197 I C 2.722 178.893 176.117 0.090 0.000 1.075 197 I CA 1.024 62.354 61.300 0.049 0.000 1.334 197 I CB -0.981 37.023 38.000 0.007 0.000 1.040 197 I HN 0.078 nan 8.210 nan 0.000 0.405 198 L N -0.197 121.090 121.223 0.106 0.000 2.093 198 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 198 L C 2.525 179.490 176.870 0.158 0.000 1.085 198 L CA 1.589 56.508 54.840 0.132 0.000 0.755 198 L CB -1.411 40.733 42.059 0.142 0.000 0.904 198 L HN 0.186 nan 8.230 nan 0.000 0.435 199 Y N 0.287 120.614 120.300 0.045 0.000 2.145 199 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 199 Y C 2.423 178.347 175.900 0.040 0.000 1.145 199 Y CA 1.665 59.790 58.100 0.043 0.000 1.148 199 Y CB -0.317 38.169 38.460 0.044 0.000 0.981 199 Y HN 0.136 nan 8.280 nan 0.000 0.507 200 A N 0.064 123.071 122.820 0.312 0.000 1.933 200 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 200 A C 2.379 180.032 177.584 0.115 0.000 1.175 200 A CA 1.865 54.024 52.037 0.202 0.000 0.628 200 A CB -1.393 17.689 19.000 0.138 0.000 0.814 200 A HN 0.575 nan 8.150 nan 0.000 0.444 201 A N -0.319 122.560 122.820 0.098 0.000 1.897 201 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 201 A C 2.214 179.826 177.584 0.046 0.000 1.181 201 A CA 1.318 53.397 52.037 0.070 0.000 0.620 201 A CB -0.422 18.624 19.000 0.077 0.000 0.821 201 A HN 0.518 nan 8.150 nan 0.000 0.443 202 R N -0.391 120.126 120.500 0.028 0.000 2.091 202 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 202 R C 2.000 178.271 176.300 -0.049 0.000 1.136 202 R CA 1.488 57.575 56.100 -0.022 0.000 0.959 202 R CB -0.492 29.767 30.300 -0.068 0.000 0.856 202 R HN 0.603 nan 8.270 nan 0.000 0.437 203 D N 0.319 120.681 120.400 -0.063 0.000 2.191 203 D HA -0.170 4.470 4.640 -0.000 0.000 0.190 203 D C 1.368 177.678 176.300 0.016 0.000 1.007 203 D CA 1.960 55.939 54.000 -0.035 0.000 0.865 203 D CB 0.116 40.930 40.800 0.023 0.000 0.929 203 D HN 0.219 nan 8.370 nan 0.000 0.447 204 V N -2.694 117.241 119.914 0.034 0.000 3.319 204 V HA 0.385 4.505 4.120 -0.000 0.000 0.317 204 V C 1.023 177.140 176.094 0.039 0.000 1.411 204 V CA 0.748 63.079 62.300 0.052 0.000 1.112 204 V CB 0.034 31.895 31.823 0.063 0.000 1.031 204 V HN 0.280 nan 8.190 nan 0.000 0.448 205 T N -3.321 111.248 114.554 0.026 0.000 3.170 205 T HA 0.629 4.979 4.350 -0.000 0.000 0.288 205 T C 1.027 175.736 174.700 0.015 0.000 0.992 205 T CA 0.551 62.666 62.100 0.024 0.000 0.909 205 T CB 0.537 69.423 68.868 0.029 0.000 1.133 205 T HN 1.767 nan 8.240 nan 0.000 0.530 206 A N 1.233 124.057 122.820 0.006 0.000 2.869 206 A HA -0.139 4.181 4.320 -0.000 0.000 0.280 206 A C 1.099 178.682 177.584 -0.002 0.000 1.458 206 A CA 1.158 53.195 52.037 0.000 0.000 0.776 206 A CB -2.677 16.329 19.000 0.010 0.000 1.028 206 A HN 1.333 nan 8.150 nan 0.000 0.547 207 T N -4.088 110.459 114.554 -0.012 0.000 3.288 207 T HA 0.457 4.807 4.350 -0.000 0.000 0.293 207 T C 1.109 175.787 174.700 -0.036 0.000 1.008 207 T CA 0.525 62.620 62.100 -0.009 0.000 0.929 207 T CB 0.281 69.153 68.868 0.006 0.000 1.152 207 T HN 0.566 nan 8.240 nan 0.000 0.517 208 V N 2.499 122.370 119.914 -0.072 0.000 2.407 208 V HA -0.019 4.101 4.120 -0.000 0.000 0.245 208 V C 1.643 177.652 176.094 -0.142 0.000 1.041 208 V CA 1.679 63.900 62.300 -0.132 0.000 1.040 208 V CB -0.372 31.343 31.823 -0.180 0.000 0.671 208 V HN 0.734 nan 8.190 nan 0.000 0.455 209 D N 0.419 120.747 120.400 -0.120 0.000 2.994 209 D HA 0.074 4.714 4.640 -0.000 0.000 0.240 209 D C 0.144 176.490 176.300 0.076 0.000 1.195 209 D CA 0.236 54.133 54.000 -0.172 0.000 0.957 209 D CB 0.547 41.264 40.800 -0.138 0.000 1.105 209 D HN 0.284 nan 8.370 nan 0.000 0.477 210 S N 1.233 116.975 115.700 0.070 0.000 2.552 210 S HA 0.180 4.650 4.470 -0.000 0.000 0.314 210 S C 0.920 175.631 174.600 0.185 0.000 1.099 210 S CA -0.824 57.465 58.200 0.149 0.000 1.070 210 S CB 1.053 64.295 63.200 0.070 0.000 0.998 210 S HN 0.186 nan 8.310 nan 0.000 0.474 211 L N 6.564 127.946 121.223 0.265 0.000 1.971 211 L HA 0.051 4.391 4.340 -0.000 0.000 0.215 211 L C -0.705 176.241 176.870 0.128 0.000 1.072 211 L CA 2.401 57.379 54.840 0.229 0.000 0.758 211 L CB -1.990 40.151 42.059 0.137 0.000 0.889 211 L HN 0.572 nan 8.230 nan 0.000 0.433 212 P HA -0.168 nan 4.420 nan 0.000 0.217 212 P C 2.265 179.603 177.300 0.062 0.000 1.150 212 P CA 1.415 64.553 63.100 0.063 0.000 0.832 212 P CB 0.005 31.732 31.700 0.045 0.000 0.787 213 L N -1.069 120.191 121.223 0.061 0.000 2.056 213 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 213 L C 2.816 179.715 176.870 0.048 0.000 1.078 213 L CA 1.187 56.059 54.840 0.053 0.000 0.749 213 L CB -0.792 41.291 42.059 0.039 0.000 0.901 213 L HN -0.153 nan 8.230 nan 0.000 0.433 214 I N -0.532 120.065 120.570 0.045 0.000 2.179 214 I HA -0.282 3.887 4.170 -0.000 0.000 0.242 214 I C 2.539 178.688 176.117 0.054 0.000 1.088 214 I CA 1.601 62.924 61.300 0.038 0.000 1.357 214 I CB -0.634 37.387 38.000 0.035 0.000 1.051 214 I HN 0.243 nan 8.210 nan 0.000 0.409 215 T N 0.893 115.488 114.554 0.067 0.000 2.652 215 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 215 T C 2.068 176.794 174.700 0.043 0.000 1.039 215 T CA 1.671 63.806 62.100 0.058 0.000 1.153 215 T CB -0.450 68.456 68.868 0.064 0.000 0.863 215 T HN 0.494 nan 8.240 nan 0.000 0.428 216 A N 0.886 123.736 122.820 0.050 0.000 1.902 216 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 216 A C 2.583 180.196 177.584 0.048 0.000 1.181 216 A CA 2.129 54.195 52.037 0.049 0.000 0.623 216 A CB -1.065 17.972 19.000 0.062 0.000 0.818 216 A HN 0.445 nan 8.150 nan 0.000 0.443 217 S N -0.436 115.299 115.700 0.058 0.000 2.348 217 S HA -0.115 4.355 4.470 -0.000 0.000 0.221 217 S C 1.938 176.551 174.600 0.022 0.000 1.033 217 S CA 1.462 59.709 58.200 0.080 0.000 1.010 217 S CB -0.483 62.792 63.200 0.124 0.000 0.891 217 S HN 0.482 nan 8.310 nan 0.000 0.442 218 I N 0.868 121.419 120.570 -0.032 0.000 2.142 218 I HA -0.145 4.025 4.170 -0.000 0.000 0.240 218 I C 2.142 178.163 176.117 -0.161 0.000 1.078 218 I CA 0.884 62.062 61.300 -0.202 0.000 1.343 218 I CB -0.356 37.557 38.000 -0.146 0.000 1.046 218 I HN 0.303 nan 8.210 nan 0.000 0.405 219 L N 0.794 121.984 121.223 -0.055 0.000 2.141 219 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 219 L C 2.876 179.743 176.870 -0.005 0.000 1.094 219 L CA 1.975 56.803 54.840 -0.020 0.000 0.763 219 L CB -1.106 40.959 42.059 0.010 0.000 0.908 219 L HN 0.344 nan 8.230 nan 0.000 0.437 220 S N -1.122 114.579 115.700 0.003 0.000 2.368 220 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 220 S C 2.005 176.614 174.600 0.015 0.000 1.030 220 S CA 0.983 59.193 58.200 0.016 0.000 0.999 220 S CB -0.403 62.813 63.200 0.027 0.000 0.844 220 S HN 0.391 nan 8.310 nan 0.000 0.459 221 K N 1.036 121.435 120.400 -0.002 0.000 2.057 221 K HA 0.004 4.323 4.320 -0.000 0.000 0.207 221 K C 2.259 178.879 176.600 0.034 0.000 1.049 221 K CA 1.228 57.522 56.287 0.012 0.000 0.931 221 K CB -0.084 32.411 32.500 -0.008 0.000 0.714 221 K HN 0.276 nan 8.250 nan 0.000 0.440 222 K N 0.500 120.905 120.400 0.009 0.000 2.167 222 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 222 K C 2.011 178.651 176.600 0.066 0.000 1.052 222 K CA 0.577 56.891 56.287 0.044 0.000 0.956 222 K CB -0.191 32.322 32.500 0.021 0.000 0.735 222 K HN 0.042 nan 8.250 nan 0.000 0.451 223 L N 1.158 122.410 121.223 0.049 0.000 2.046 223 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 223 L C 2.344 179.255 176.870 0.068 0.000 1.077 223 L CA 1.366 56.239 54.840 0.054 0.000 0.747 223 L CB -1.077 41.005 42.059 0.038 0.000 0.896 223 L HN 0.026 nan 8.230 nan 0.000 0.432 224 V N -3.779 116.174 119.914 0.066 0.000 3.217 224 V HA -0.085 4.035 4.120 -0.000 0.000 0.264 224 V C 1.847 178.012 176.094 0.119 0.000 1.135 224 V CA 0.945 63.284 62.300 0.065 0.000 1.142 224 V CB -0.721 31.125 31.823 0.040 0.000 0.754 224 V HN 0.475 nan 8.190 nan 0.000 0.484 225 E N 1.629 121.937 120.200 0.180 0.000 2.427 225 E HA 0.219 4.569 4.350 -0.000 0.000 0.196 225 E C 1.500 178.376 176.600 0.460 0.000 1.028 225 E CA 0.434 57.031 56.400 0.328 0.000 0.864 225 E CB -0.254 29.599 29.700 0.255 0.000 0.813 225 E HN 0.853 nan 8.360 nan 0.000 0.514 226 G N 2.035 111.007 108.800 0.286 0.000 2.351 226 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.297 226 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.297 226 G C -0.104 174.945 174.900 0.247 0.000 1.054 226 G CA -0.015 45.254 45.100 0.281 0.000 1.123 226 G HN 0.105 nan 8.290 nan 0.000 0.512 227 L N 0.038 121.356 121.223 0.159 0.000 2.399 227 L HA 0.501 4.841 4.340 -0.000 0.000 0.266 227 L C 1.880 178.799 176.870 0.081 0.000 1.114 227 L CA -0.174 54.728 54.840 0.104 0.000 0.804 227 L CB 1.478 43.587 42.059 0.083 0.000 1.146 227 L HN 0.396 nan 8.230 nan 0.000 0.451 228 S N 0.319 116.057 115.700 0.062 0.000 2.478 228 S HA 0.313 4.782 4.470 -0.000 0.000 0.222 228 S C 0.524 175.138 174.600 0.023 0.000 1.008 228 S CA 0.221 58.447 58.200 0.042 0.000 0.928 228 S CB 0.232 63.457 63.200 0.040 0.000 0.781 228 S HN 0.707 nan 8.310 nan 0.000 0.518 229 A N 0.489 123.329 122.820 0.033 0.000 2.540 229 A HA 0.714 5.034 4.320 -0.000 0.000 0.297 229 A C -1.609 176.003 177.584 0.047 0.000 1.056 229 A CA -0.709 51.345 52.037 0.028 0.000 0.700 229 A CB 1.401 20.411 19.000 0.017 0.000 1.280 229 A HN 0.535 nan 8.150 nan 0.000 0.398 230 L N 2.270 123.525 121.223 0.053 0.000 2.386 230 L HA 0.837 5.177 4.340 -0.000 0.000 0.271 230 L C -1.419 175.498 176.870 0.079 0.000 0.993 230 L CA -0.466 54.415 54.840 0.069 0.000 0.819 230 L CB 2.152 44.252 42.059 0.069 0.000 1.294 230 L HN 0.505 nan 8.230 nan 0.000 0.414 231 V N 5.359 125.326 119.914 0.088 0.000 2.417 231 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 231 V C -0.578 175.580 176.094 0.106 0.000 1.024 231 V CA -0.656 61.701 62.300 0.095 0.000 0.861 231 V CB 1.840 33.717 31.823 0.090 0.000 0.985 231 V HN 0.608 nan 8.190 nan 0.000 0.436 232 V N 4.551 124.530 119.914 0.109 0.000 2.417 232 V HA 0.506 4.625 4.120 -0.000 0.000 0.291 232 V C -0.629 175.532 176.094 0.112 0.000 1.024 232 V CA -0.425 61.951 62.300 0.127 0.000 0.861 232 V CB 1.895 33.795 31.823 0.128 0.000 0.985 232 V HN 0.986 nan 8.190 nan 0.000 0.436 233 D N 5.940 126.402 120.400 0.105 0.000 2.380 233 D HA 0.300 4.939 4.640 -0.000 0.000 0.230 233 D C -0.563 175.799 176.300 0.104 0.000 1.154 233 D CA 0.037 54.089 54.000 0.087 0.000 0.859 233 D CB 1.330 42.161 40.800 0.052 0.000 1.045 233 D HN 0.329 nan 8.370 nan 0.000 0.495 234 V N 5.601 125.594 119.914 0.133 0.000 2.350 234 V HA 0.299 4.419 4.120 -0.000 0.000 0.276 234 V C 0.391 176.602 176.094 0.194 0.000 1.028 234 V CA -0.726 61.674 62.300 0.166 0.000 0.860 234 V CB 0.995 32.938 31.823 0.200 0.000 0.990 234 V HN 0.452 nan 8.190 nan 0.000 0.453 235 K N 5.171 125.657 120.400 0.142 0.000 2.156 235 K HA 0.811 5.131 4.320 -0.000 0.000 0.254 235 K C -0.899 175.800 176.600 0.165 0.000 0.950 235 K CA -0.529 55.796 56.287 0.063 0.000 0.849 235 K CB 2.117 34.598 32.500 -0.031 0.000 1.100 235 K HN 0.500 nan 8.250 nan 0.000 0.434 236 F N -1.512 118.501 119.950 0.105 0.000 2.631 236 F HA 0.809 5.336 4.527 -0.000 0.000 0.328 236 F C 0.230 176.069 175.800 0.065 0.000 1.067 236 F CA -0.632 57.424 58.000 0.094 0.000 0.969 236 F CB 1.278 40.325 39.000 0.079 0.000 1.332 236 F HN 0.866 nan 8.300 nan 0.000 0.490 237 G N 0.006 108.973 108.800 0.279 0.000 2.707 237 G HA2 0.376 4.336 3.960 -0.000 0.000 0.686 237 G HA3 0.376 4.336 3.960 -0.000 0.000 0.686 237 G C 0.265 175.216 174.900 0.086 0.000 1.315 237 G CA 0.195 45.387 45.100 0.153 0.000 0.832 237 G HN 2.610 nan 8.290 nan 0.000 0.573 238 A N -1.095 121.763 122.820 0.063 0.000 5.121 238 A HA 0.006 4.326 4.320 -0.000 0.000 0.365 238 A C 2.890 180.507 177.584 0.056 0.000 1.564 238 A CA 4.033 56.096 52.037 0.043 0.000 0.686 238 A CB -1.303 17.712 19.000 0.025 0.000 1.542 238 A HN 2.885 nan 8.150 nan 0.000 0.421 239 G N -0.935 107.907 108.800 0.070 0.000 3.159 239 G HA2 0.582 4.542 3.960 -0.000 0.000 0.232 239 G HA3 0.582 4.542 3.960 -0.000 0.000 0.232 239 G C 0.624 175.652 174.900 0.214 0.000 1.116 239 G CA 1.119 46.302 45.100 0.138 0.000 0.767 239 G HN 1.817 nan 8.290 nan 0.000 0.547 240 A N 0.011 122.899 122.820 0.113 0.000 2.492 240 A HA 0.378 4.698 4.320 -0.000 0.000 0.236 240 A C 1.765 179.376 177.584 0.046 0.000 1.078 240 A CA 0.006 52.085 52.037 0.070 0.000 0.773 240 A CB 0.511 19.563 19.000 0.086 0.000 1.023 240 A HN 0.287 nan 8.150 nan 0.000 0.504 241 V N 0.453 120.317 119.914 -0.082 0.000 2.324 241 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 241 V C 0.756 176.685 176.094 -0.274 0.000 1.060 241 V CA 1.670 63.805 62.300 -0.275 0.000 1.042 241 V CB -0.883 30.662 31.823 -0.464 0.000 0.650 241 V HN 0.627 nan 8.190 nan 0.000 0.450 242 F N -0.049 119.948 119.950 0.078 0.000 2.363 242 F HA 0.358 4.885 4.527 -0.000 0.000 0.366 242 F C -1.803 174.069 175.800 0.119 0.000 1.083 242 F CA -1.912 56.139 58.000 0.085 0.000 1.176 242 F CB 1.394 40.440 39.000 0.078 0.000 1.432 242 F HN 0.088 nan 8.300 nan 0.000 0.482 243 P HA -0.154 nan 4.420 nan 0.000 0.229 243 P C -0.238 177.180 177.300 0.196 0.000 1.150 243 P CA 0.881 64.107 63.100 0.211 0.000 0.765 243 P CB -0.036 31.754 31.700 0.149 0.000 0.783 244 N N -0.236 118.567 118.700 0.171 0.000 2.421 244 N HA 0.039 4.779 4.740 -0.000 0.000 0.285 244 N C 0.902 176.421 175.510 0.016 0.000 1.027 244 N CA -0.363 52.728 53.050 0.070 0.000 0.918 244 N CB 0.716 39.208 38.487 0.008 0.000 1.152 244 N HN -0.184 nan 8.380 nan 0.000 0.485 245 Q N 1.465 121.161 119.800 -0.172 0.000 2.170 245 Q HA -0.198 4.142 4.340 -0.000 0.000 0.203 245 Q C 0.563 176.356 176.000 -0.346 0.000 0.976 245 Q CA 1.493 56.938 55.803 -0.598 0.000 0.858 245 Q CB 0.230 28.338 28.738 -1.051 0.000 0.907 245 Q HN 0.761 nan 8.270 nan 0.000 0.433 246 E N 0.428 120.503 120.200 -0.208 0.000 2.051 246 E HA -0.143 4.207 4.350 -0.000 0.000 0.189 246 E C 1.865 178.393 176.600 -0.120 0.000 0.979 246 E CA 1.196 57.508 56.400 -0.147 0.000 0.803 246 E CB -0.073 29.555 29.700 -0.121 0.000 0.761 246 E HN 0.310 nan 8.360 nan 0.000 0.451 247 Q N -0.318 119.402 119.800 -0.133 0.000 2.062 247 Q HA -0.266 4.073 4.340 -0.000 0.000 0.209 247 Q C 2.094 178.010 176.000 -0.140 0.000 0.996 247 Q CA 1.998 57.665 55.803 -0.227 0.000 0.859 247 Q CB -0.329 28.236 28.738 -0.287 0.000 0.920 247 Q HN 0.400 nan 8.270 nan 0.000 0.415 248 A N 0.784 123.628 122.820 0.040 0.000 1.930 248 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 248 A C 1.979 179.633 177.584 0.116 0.000 1.175 248 A CA 1.467 53.618 52.037 0.191 0.000 0.627 248 A CB -0.525 18.661 19.000 0.310 0.000 0.815 248 A HN 0.315 nan 8.150 nan 0.000 0.443 249 R N -0.109 120.405 120.500 0.024 0.000 2.081 249 R HA -0.183 4.156 4.340 -0.000 0.000 0.235 249 R C 2.156 178.471 176.300 0.024 0.000 1.131 249 R CA 1.827 57.940 56.100 0.021 0.000 0.960 249 R CB -0.337 29.946 30.300 -0.028 0.000 0.856 249 R HN 0.677 nan 8.270 nan 0.000 0.436 250 E N 0.185 120.378 120.200 -0.012 0.000 2.085 250 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 250 E C 1.964 178.578 176.600 0.023 0.000 0.994 250 E CA 1.280 57.670 56.400 -0.016 0.000 0.801 250 E CB -0.060 29.599 29.700 -0.068 0.000 0.743 250 E HN 0.305 nan 8.360 nan 0.000 0.453 251 L N 0.789 122.047 121.223 0.058 0.000 2.046 251 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 251 L C 2.239 179.179 176.870 0.116 0.000 1.077 251 L CA 2.182 57.099 54.840 0.128 0.000 0.747 251 L CB -0.710 41.504 42.059 0.259 0.000 0.896 251 L HN 0.125 nan 8.230 nan 0.000 0.432 252 A N -0.532 122.357 122.820 0.115 0.000 1.902 252 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 252 A C 2.307 179.940 177.584 0.081 0.000 1.181 252 A CA 1.956 54.057 52.037 0.107 0.000 0.623 252 A CB -0.498 18.573 19.000 0.118 0.000 0.818 252 A HN 0.534 nan 8.150 nan 0.000 0.443 253 K N -0.904 119.534 120.400 0.063 0.000 2.155 253 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 253 K C 1.998 178.626 176.600 0.046 0.000 1.052 253 K CA 1.572 57.889 56.287 0.049 0.000 0.948 253 K CB -0.317 32.203 32.500 0.034 0.000 0.728 253 K HN 0.464 nan 8.250 nan 0.000 0.448 254 T N 2.042 116.625 114.554 0.049 0.000 2.777 254 T HA -0.056 4.293 4.350 -0.000 0.000 0.266 254 T C 1.899 176.630 174.700 0.052 0.000 1.040 254 T CA 0.885 63.013 62.100 0.047 0.000 1.141 254 T CB -0.137 68.761 68.868 0.050 0.000 0.868 254 T HN 0.085 nan 8.240 nan 0.000 0.444 255 L N 0.636 121.897 121.223 0.064 0.000 2.046 255 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 255 L C 2.619 179.522 176.870 0.055 0.000 1.077 255 L CA 0.927 55.804 54.840 0.062 0.000 0.747 255 L CB -0.525 41.580 42.059 0.075 0.000 0.896 255 L HN 0.147 nan 8.230 nan 0.000 0.432 256 V N -0.383 119.566 119.914 0.057 0.000 2.407 256 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 256 V C 2.533 178.653 176.094 0.044 0.000 1.041 256 V CA 1.803 64.135 62.300 0.054 0.000 1.040 256 V CB -0.952 30.906 31.823 0.059 0.000 0.671 256 V HN 0.536 nan 8.190 nan 0.000 0.455 257 G N -0.160 108.665 108.800 0.040 0.000 2.404 257 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.215 257 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.215 257 G C 1.673 176.592 174.900 0.031 0.000 1.174 257 G CA 1.231 46.351 45.100 0.033 0.000 0.780 257 G HN 0.352 nan 8.290 nan 0.000 0.537 258 V N 1.644 121.578 119.914 0.033 0.000 2.307 258 V HA -0.039 4.081 4.120 -0.000 0.000 0.245 258 V C 3.177 179.289 176.094 0.031 0.000 1.045 258 V CA 1.902 64.221 62.300 0.031 0.000 1.024 258 V CB -1.116 30.727 31.823 0.034 0.000 0.651 258 V HN 0.434 nan 8.190 nan 0.000 0.449 259 G N 0.025 108.845 108.800 0.034 0.000 2.529 259 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 259 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 259 G C 1.771 176.690 174.900 0.031 0.000 1.177 259 G CA 1.375 46.495 45.100 0.034 0.000 0.773 259 G HN 0.628 nan 8.290 nan 0.000 0.573 260 A N 0.986 123.824 122.820 0.030 0.000 1.933 260 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 260 A C 2.742 180.339 177.584 0.022 0.000 1.175 260 A CA 2.644 54.696 52.037 0.025 0.000 0.628 260 A CB -0.764 18.251 19.000 0.025 0.000 0.814 260 A HN 0.893 nan 8.150 nan 0.000 0.444 261 S N -0.455 115.259 115.700 0.023 0.000 2.447 261 S HA 0.029 4.499 4.470 -0.000 0.000 0.233 261 S C 1.371 175.983 174.600 0.020 0.000 1.006 261 S CA 1.226 59.438 58.200 0.020 0.000 0.957 261 S CB -0.435 62.777 63.200 0.020 0.000 0.773 261 S HN 0.422 nan 8.310 nan 0.000 0.507 262 L N 0.837 122.074 121.223 0.023 0.000 2.653 262 L HA 0.401 4.741 4.340 -0.000 0.000 0.231 262 L C 1.596 178.481 176.870 0.024 0.000 1.153 262 L CA 0.255 55.109 54.840 0.024 0.000 0.933 262 L CB -0.120 41.954 42.059 0.026 0.000 1.175 262 L HN 0.580 nan 8.230 nan 0.000 0.473 263 G N 0.747 109.561 108.800 0.023 0.000 2.141 263 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.231 263 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.231 263 G C -0.415 174.501 174.900 0.026 0.000 0.984 263 G CA -0.096 45.017 45.100 0.023 0.000 0.660 263 G HN 0.158 nan 8.290 nan 0.000 0.525 264 L N 0.519 121.759 121.223 0.028 0.000 2.322 264 L HA 0.788 5.127 4.340 -0.000 0.000 0.281 264 L C 0.609 177.495 176.870 0.027 0.000 1.014 264 L CA -1.484 53.376 54.840 0.032 0.000 0.815 264 L CB 1.359 43.441 42.059 0.039 0.000 1.247 264 L HN 0.210 nan 8.230 nan 0.000 0.421 265 R N 4.206 124.719 120.500 0.022 0.000 2.272 265 R HA 0.541 4.881 4.340 -0.000 0.000 0.334 265 R C -1.579 174.737 176.300 0.027 0.000 1.117 265 R CA -0.205 55.902 56.100 0.012 0.000 0.966 265 R CB 0.052 30.345 30.300 -0.011 0.000 1.049 265 R HN 0.575 nan 8.270 nan 0.000 0.477 266 V N 3.185 123.122 119.914 0.038 0.000 2.680 266 V HA 0.767 4.887 4.120 -0.000 0.000 0.309 266 V C -0.217 175.918 176.094 0.068 0.000 1.052 266 V CA -0.939 61.394 62.300 0.054 0.000 0.908 266 V CB 1.683 33.539 31.823 0.055 0.000 1.001 266 V HN 0.858 nan 8.190 nan 0.000 0.431 267 A N 2.817 125.688 122.820 0.086 0.000 2.413 267 A HA 1.003 5.322 4.320 -0.000 0.000 0.307 267 A C -0.322 177.321 177.584 0.098 0.000 1.087 267 A CA -0.376 51.724 52.037 0.105 0.000 0.750 267 A CB 1.817 20.904 19.000 0.146 0.000 1.296 267 A HN 1.457 nan 8.150 nan 0.000 0.423 268 A N 0.378 123.255 122.820 0.096 0.000 2.340 268 A HA 0.845 5.164 4.320 -0.000 0.000 0.331 268 A C -0.002 177.636 177.584 0.090 0.000 1.140 268 A CA 0.008 52.104 52.037 0.098 0.000 0.801 268 A CB 1.152 20.214 19.000 0.103 0.000 1.234 268 A HN 2.271 nan 8.150 nan 0.000 0.469 269 A N 1.782 124.656 122.820 0.090 0.000 2.331 269 A HA 0.689 5.009 4.320 -0.000 0.000 0.320 269 A C -0.796 176.864 177.584 0.127 0.000 1.138 269 A CA -0.410 51.670 52.037 0.072 0.000 0.790 269 A CB 0.545 19.568 19.000 0.037 0.000 1.206 269 A HN 0.793 nan 8.150 nan 0.000 0.470 270 L N 2.598 123.928 121.223 0.177 0.000 2.264 270 L HA 0.590 4.930 4.340 -0.000 0.000 0.289 270 L C 0.449 177.568 176.870 0.415 0.000 1.044 270 L CA -0.079 54.996 54.840 0.392 0.000 0.807 270 L CB 1.800 44.197 42.059 0.564 0.000 1.192 270 L HN 0.890 nan 8.230 nan 0.000 0.425 271 T N 0.516 115.206 114.554 0.227 0.000 2.909 271 T HA 0.749 5.099 4.350 -0.000 0.000 0.299 271 T C -0.168 174.262 174.700 -0.450 0.000 1.073 271 T CA -0.856 61.253 62.100 0.015 0.000 0.999 271 T CB 1.762 70.628 68.868 -0.003 0.000 1.098 271 T HN 0.607 nan 8.240 nan 0.000 0.477 272 A N 3.555 126.140 122.820 -0.391 0.000 2.540 272 A HA 0.540 4.860 4.320 -0.000 0.000 0.239 272 A C 0.478 177.919 177.584 -0.238 0.000 1.061 272 A CA -0.259 51.525 52.037 -0.421 0.000 0.758 272 A CB -0.750 18.144 19.000 -0.175 0.000 0.991 272 A HN 1.040 nan 8.150 nan 0.000 0.502 273 M N 1.096 120.582 119.600 -0.191 0.000 2.321 273 M HA 0.506 4.986 4.480 -0.000 0.000 0.315 273 M C -0.993 175.258 176.300 -0.082 0.000 1.052 273 M CA -0.871 54.364 55.300 -0.108 0.000 0.936 273 M CB 1.219 33.791 32.600 -0.047 0.000 1.639 273 M HN 0.516 nan 8.290 nan 0.000 0.433 274 D N 4.230 124.603 120.400 -0.046 0.000 7.011 274 D HA -0.123 4.516 4.640 -0.000 0.000 0.125 274 D C -0.545 175.748 176.300 -0.012 0.000 1.093 274 D CA 1.629 55.617 54.000 -0.019 0.000 0.765 274 D CB -0.097 40.696 40.800 -0.013 0.000 1.507 274 D HN 0.671 nan 8.370 nan 0.000 0.865 275 K N -0.175 120.231 120.400 0.009 0.000 6.995 275 K HA -0.108 4.211 4.320 -0.000 0.000 0.597 275 K C -2.699 173.911 176.600 0.016 0.000 2.558 275 K CA -0.486 55.814 56.287 0.021 0.000 2.005 275 K CB -0.421 32.091 32.500 0.020 0.000 2.517 275 K HN 0.276 nan 8.250 nan 0.000 0.266 276 P HA 0.147 nan 4.420 nan 0.000 0.274 276 P C -0.658 176.645 177.300 0.004 0.000 1.237 276 P CA -0.579 62.531 63.100 0.016 0.000 0.793 276 P CB 0.525 32.240 31.700 0.026 0.000 0.977 277 L N 1.722 122.939 121.223 -0.009 0.000 2.319 277 L HA 0.483 4.822 4.340 -0.000 0.000 0.280 277 L C 0.957 177.817 176.870 -0.018 0.000 1.099 277 L CA 1.423 56.254 54.840 -0.016 0.000 0.828 277 L CB -0.466 41.577 42.059 -0.026 0.000 1.150 277 L HN 0.883 nan 8.230 nan 0.000 0.442 278 G N 5.020 113.811 108.800 -0.014 0.000 2.539 278 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.256 278 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.256 278 G C 0.593 175.490 174.900 -0.004 0.000 1.233 278 G CA 0.325 45.416 45.100 -0.016 0.000 0.936 278 G HN 0.707 nan 8.290 nan 0.000 0.571 279 R N -1.307 119.188 120.500 -0.008 0.000 2.369 279 R HA 0.304 4.643 4.340 -0.000 0.000 0.210 279 R C 0.331 176.630 176.300 -0.002 0.000 0.881 279 R CA 0.587 56.688 56.100 0.003 0.000 1.031 279 R CB 0.585 30.887 30.300 0.003 0.000 1.184 279 R HN 0.394 nan 8.270 nan 0.000 0.581 280 C N 2.130 121.419 119.300 -0.019 0.000 2.303 280 C HA 0.591 5.051 4.460 -0.000 0.000 0.326 280 C C 0.150 175.114 174.990 -0.042 0.000 1.285 280 C CA -0.610 58.389 59.018 -0.031 0.000 1.675 280 C CB 1.476 29.186 27.740 -0.050 0.000 2.289 280 C HN 0.038 nan 8.230 nan 0.000 0.512 281 V N 3.977 123.868 119.914 -0.039 0.000 2.540 281 V HA 0.971 5.091 4.120 -0.000 0.000 0.302 281 V C 0.592 176.635 176.094 -0.085 0.000 1.035 281 V CA 0.714 62.979 62.300 -0.058 0.000 0.873 281 V CB 1.099 32.907 31.823 -0.024 0.000 0.992 281 V HN 1.290 nan 8.190 nan 0.000 0.428 282 G N 3.393 112.085 108.800 -0.180 0.000 2.295 282 G HA2 0.048 4.008 3.960 -0.000 0.000 0.155 282 G HA3 0.048 4.008 3.960 -0.000 0.000 0.155 282 G C -0.248 174.335 174.900 -0.528 0.000 1.307 282 G CA 0.343 45.288 45.100 -0.259 0.000 1.140 282 G HN 0.663 nan 8.290 nan 0.000 0.470 283 H N -0.869 118.178 119.070 -0.038 0.000 2.286 283 H HA 0.590 5.146 4.556 -0.000 0.000 0.163 283 H C 2.642 177.937 175.328 -0.054 0.000 1.015 283 H CA 1.240 57.263 56.048 -0.042 0.000 1.107 283 H CB -0.316 29.426 29.762 -0.034 0.000 1.050 283 H HN 0.692 nan 8.280 nan 0.000 0.360 284 A N 1.445 124.311 122.820 0.077 0.000 1.917 284 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 284 A C 2.113 179.670 177.584 -0.045 0.000 1.182 284 A CA 1.766 53.803 52.037 0.000 0.000 0.633 284 A CB -1.091 17.896 19.000 -0.021 0.000 0.819 284 A HN 0.320 nan 8.150 nan 0.000 0.448 285 L N -0.899 120.277 121.223 -0.079 0.000 2.079 285 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 285 L C 2.619 179.439 176.870 -0.083 0.000 1.081 285 L CA 1.734 56.509 54.840 -0.108 0.000 0.752 285 L CB -0.570 41.407 42.059 -0.136 0.000 0.896 285 L HN 0.504 nan 8.230 nan 0.000 0.433 286 E N -0.543 119.607 120.200 -0.083 0.000 2.107 286 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 286 E C 2.292 178.844 176.600 -0.080 0.000 0.982 286 E CA 0.902 57.250 56.400 -0.086 0.000 0.809 286 E CB 0.059 29.695 29.700 -0.108 0.000 0.756 286 E HN 0.275 nan 8.360 nan 0.000 0.459 287 V N 1.678 121.558 119.914 -0.057 0.000 2.332 287 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 287 V C 1.997 178.060 176.094 -0.053 0.000 1.055 287 V CA 1.971 64.246 62.300 -0.042 0.000 1.038 287 V CB -0.487 31.340 31.823 0.007 0.000 0.651 287 V HN 0.234 nan 8.190 nan 0.000 0.450 288 E N -0.131 120.041 120.200 -0.047 0.000 2.051 288 E HA -0.282 4.068 4.350 -0.000 0.000 0.192 288 E C 2.299 178.863 176.600 -0.061 0.000 0.991 288 E CA 1.605 57.978 56.400 -0.046 0.000 0.799 288 E CB -0.160 29.511 29.700 -0.049 0.000 0.748 288 E HN 0.704 nan 8.360 nan 0.000 0.449 289 E N 0.350 120.508 120.200 -0.069 0.000 2.106 289 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 289 E C 1.979 178.521 176.600 -0.096 0.000 0.984 289 E CA 0.858 57.215 56.400 -0.071 0.000 0.806 289 E CB -0.035 29.626 29.700 -0.064 0.000 0.750 289 E HN 0.244 nan 8.360 nan 0.000 0.458 290 A N 1.039 123.782 122.820 -0.128 0.000 1.883 290 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 290 A C 2.179 179.627 177.584 -0.227 0.000 1.186 290 A CA 1.261 53.182 52.037 -0.194 0.000 0.624 290 A CB -0.769 18.077 19.000 -0.258 0.000 0.822 290 A HN 0.328 nan 8.150 nan 0.000 0.444 291 L N -1.147 119.960 121.223 -0.193 0.000 2.079 291 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 291 L C 2.483 179.298 176.870 -0.092 0.000 1.081 291 L CA 0.791 55.548 54.840 -0.138 0.000 0.752 291 L CB -0.517 41.511 42.059 -0.051 0.000 0.896 291 L HN 0.307 nan 8.230 nan 0.000 0.433 292 L N -0.765 120.411 121.223 -0.077 0.000 2.046 292 L HA -0.273 4.067 4.340 -0.000 0.000 0.208 292 L C 2.678 179.510 176.870 -0.063 0.000 1.077 292 L CA 1.620 56.426 54.840 -0.058 0.000 0.747 292 L CB -0.983 41.047 42.059 -0.049 0.000 0.896 292 L HN 0.398 nan 8.230 nan 0.000 0.432 293 C N -0.653 118.597 119.300 -0.083 0.000 2.440 293 C HA -0.168 4.291 4.460 -0.000 0.000 0.278 293 C C 2.794 177.735 174.990 -0.083 0.000 1.295 293 C CA 0.610 59.580 59.018 -0.081 0.000 1.738 293 C CB -0.575 27.108 27.740 -0.095 0.000 1.987 293 C HN 0.516 nan 8.230 nan 0.000 0.492 294 M N 0.222 119.757 119.600 -0.108 0.000 2.476 294 M HA -0.036 4.443 4.480 -0.000 0.000 0.262 294 M C 0.998 177.266 176.300 -0.053 0.000 1.079 294 M CA 1.052 56.296 55.300 -0.093 0.000 1.104 294 M CB -0.440 32.077 32.600 -0.138 0.000 1.409 294 M HN 0.293 nan 8.290 nan 0.000 0.467 295 D N 0.388 120.760 120.400 -0.047 0.000 2.363 295 D HA 0.048 4.688 4.640 -0.000 0.000 0.220 295 D C 1.505 177.789 176.300 -0.026 0.000 0.994 295 D CA 1.004 54.986 54.000 -0.028 0.000 0.890 295 D CB 0.019 40.804 40.800 -0.025 0.000 0.906 295 D HN 0.517 nan 8.370 nan 0.000 0.530 296 G N -0.550 108.230 108.800 -0.032 0.000 2.157 296 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.248 296 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.248 296 G C 0.580 175.465 174.900 -0.026 0.000 0.979 296 G CA 0.488 45.571 45.100 -0.027 0.000 0.650 296 G HN 0.649 nan 8.290 nan 0.000 0.529 297 A N -0.935 121.867 122.820 -0.030 0.000 3.907 297 A HA 1.110 5.430 4.320 -0.000 0.000 0.166 297 A C 1.714 179.279 177.584 -0.032 0.000 0.948 297 A CA 1.120 53.141 52.037 -0.027 0.000 1.077 297 A CB 0.122 19.108 19.000 -0.023 0.000 1.553 297 A HN 2.373 nan 8.150 nan 0.000 0.740 298 G N -1.244 107.538 108.800 -0.031 0.000 2.782 298 G HA2 0.034 3.994 3.960 -0.000 0.000 0.228 298 G HA3 0.034 3.994 3.960 -0.000 0.000 0.228 298 G C -2.681 172.202 174.900 -0.027 0.000 1.372 298 G CA -0.227 44.853 45.100 -0.033 0.000 0.862 298 G HN 0.927 nan 8.290 nan 0.000 0.547 299 P HA 0.339 nan 4.420 nan 0.000 0.275 299 P C -2.032 175.256 177.300 -0.020 0.000 1.228 299 P CA -1.350 61.738 63.100 -0.020 0.000 0.786 299 P CB 0.861 32.550 31.700 -0.018 0.000 0.927 300 P HA -0.164 nan 4.420 nan 0.000 0.217 300 P C 1.118 178.411 177.300 -0.011 0.000 1.150 300 P CA 1.438 64.530 63.100 -0.012 0.000 0.832 300 P CB -0.100 31.596 31.700 -0.006 0.000 0.787 301 D N 0.057 120.452 120.400 -0.008 0.000 2.117 301 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 301 D C 1.929 178.219 176.300 -0.017 0.000 0.987 301 D CA 1.040 55.035 54.000 -0.007 0.000 0.829 301 D CB -1.274 39.526 40.800 -0.000 0.000 0.961 301 D HN 0.089 nan 8.370 nan 0.000 0.460 302 L N 0.530 121.738 121.223 -0.024 0.000 2.017 302 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 302 L C 2.619 179.467 176.870 -0.037 0.000 1.073 302 L CA 1.793 56.613 54.840 -0.034 0.000 0.745 302 L CB -0.659 41.374 42.059 -0.043 0.000 0.894 302 L HN -0.019 nan 8.230 nan 0.000 0.432 303 R N -0.561 119.919 120.500 -0.034 0.000 2.081 303 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 303 R C 2.242 178.525 176.300 -0.029 0.000 1.131 303 R CA 1.832 57.911 56.100 -0.034 0.000 0.960 303 R CB -0.707 29.575 30.300 -0.030 0.000 0.856 303 R HN 0.640 nan 8.270 nan 0.000 0.436 304 D N 0.177 120.564 120.400 -0.023 0.000 2.123 304 D HA -0.192 4.447 4.640 -0.000 0.000 0.196 304 D C 1.853 178.138 176.300 -0.024 0.000 0.992 304 D CA 1.069 55.056 54.000 -0.021 0.000 0.833 304 D CB 0.156 40.947 40.800 -0.014 0.000 0.954 304 D HN 0.238 nan 8.370 nan 0.000 0.455 305 L N 0.512 121.720 121.223 -0.025 0.000 2.109 305 L HA -0.091 4.248 4.340 -0.000 0.000 0.207 305 L C 2.541 179.395 176.870 -0.026 0.000 1.086 305 L CA 0.910 55.735 54.840 -0.025 0.000 0.760 305 L CB -0.471 41.573 42.059 -0.025 0.000 0.910 305 L HN -0.100 nan 8.230 nan 0.000 0.437 306 V N -0.389 119.507 119.914 -0.031 0.000 2.287 306 V HA -0.338 3.781 4.120 -0.000 0.000 0.248 306 V C 2.669 178.748 176.094 -0.025 0.000 1.053 306 V CA 2.319 64.599 62.300 -0.033 0.000 1.027 306 V CB -1.306 30.489 31.823 -0.046 0.000 0.646 306 V HN 0.735 nan 8.190 nan 0.000 0.447 307 T N -3.195 111.344 114.554 -0.024 0.000 2.857 307 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 307 T C 1.811 176.501 174.700 -0.015 0.000 1.048 307 T CA 1.832 63.921 62.100 -0.019 0.000 1.139 307 T CB -0.678 68.178 68.868 -0.020 0.000 0.874 307 T HN 0.446 nan 8.240 nan 0.000 0.455 308 T N 2.602 117.143 114.554 -0.022 0.000 2.674 308 T HA 0.085 4.435 4.350 -0.000 0.000 0.265 308 T C 1.917 176.610 174.700 -0.012 0.000 1.039 308 T CA 1.437 63.520 62.100 -0.028 0.000 1.150 308 T CB -0.534 68.310 68.868 -0.040 0.000 0.864 308 T HN 0.280 nan 8.240 nan 0.000 0.427 309 L N 0.526 121.746 121.223 -0.005 0.000 2.109 309 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 309 L C 3.026 179.913 176.870 0.028 0.000 1.086 309 L CA 1.160 56.008 54.840 0.013 0.000 0.760 309 L CB -0.946 41.119 42.059 0.010 0.000 0.910 309 L HN 0.364 nan 8.230 nan 0.000 0.437 310 G N -0.135 108.674 108.800 0.015 0.000 2.421 310 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 310 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 310 G C 1.591 176.517 174.900 0.044 0.000 1.171 310 G CA 0.740 45.852 45.100 0.019 0.000 0.775 310 G HN 0.468 nan 8.290 nan 0.000 0.543 311 G N 1.069 109.893 108.800 0.040 0.000 2.402 311 G HA2 0.072 4.032 3.960 -0.000 0.000 0.216 311 G HA3 0.072 4.032 3.960 -0.000 0.000 0.216 311 G C 2.076 177.049 174.900 0.122 0.000 1.162 311 G CA 1.493 46.632 45.100 0.064 0.000 0.777 311 G HN 0.637 nan 8.290 nan 0.000 0.539 312 A N 0.577 123.456 122.820 0.098 0.000 1.892 312 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 312 A C 2.408 180.147 177.584 0.259 0.000 1.188 312 A CA 1.562 53.700 52.037 0.169 0.000 0.631 312 A CB -0.549 18.513 19.000 0.103 0.000 0.822 312 A HN 0.370 nan 8.150 nan 0.000 0.447 313 L N -0.872 120.447 121.223 0.160 0.000 2.027 313 L HA -0.122 4.217 4.340 -0.000 0.000 0.206 313 L C 2.581 179.533 176.870 0.137 0.000 1.074 313 L CA 1.260 56.178 54.840 0.131 0.000 0.745 313 L CB -0.323 41.785 42.059 0.080 0.000 0.898 313 L HN 0.431 nan 8.230 nan 0.000 0.433 314 L N -1.605 119.703 121.223 0.142 0.000 2.079 314 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 314 L C 2.332 179.315 176.870 0.188 0.000 1.081 314 L CA 1.622 56.559 54.840 0.161 0.000 0.752 314 L CB -0.613 41.525 42.059 0.131 0.000 0.896 314 L HN 0.470 nan 8.230 nan 0.000 0.433 315 W N 0.268 121.591 121.300 0.038 0.000 2.379 315 W HA -0.200 4.460 4.660 -0.000 0.000 0.307 315 W C 2.320 178.848 176.519 0.015 0.000 1.200 315 W CA 1.082 58.440 57.345 0.022 0.000 1.297 315 W CB -0.194 29.273 29.460 0.011 0.000 1.140 315 W HN -0.057 nan 8.180 nan 0.000 0.507 316 L N 1.220 122.402 121.223 -0.069 0.000 2.079 316 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 316 L C 2.334 179.041 176.870 -0.272 0.000 1.081 316 L CA 2.505 57.165 54.840 -0.301 0.000 0.752 316 L CB -1.199 40.872 42.059 0.020 0.000 0.896 316 L HN 0.278 nan 8.230 nan 0.000 0.433 317 S N -1.566 114.062 115.700 -0.119 0.000 2.593 317 S HA 0.119 4.589 4.470 -0.000 0.000 0.217 317 S C 1.388 175.848 174.600 -0.234 0.000 0.966 317 S CA 0.428 58.572 58.200 -0.093 0.000 0.914 317 S CB 0.296 63.552 63.200 0.093 0.000 0.776 317 S HN 0.605 nan 8.310 nan 0.000 0.523 318 G N 1.165 109.801 108.800 -0.274 0.000 2.136 318 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.242 318 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.242 318 G C 0.449 175.176 174.900 -0.288 0.000 0.989 318 G CA 0.439 45.358 45.100 -0.302 0.000 0.682 318 G HN 0.617 nan 8.290 nan 0.000 0.522 319 H N -0.374 118.671 119.070 -0.042 0.000 2.562 319 H HA 0.520 5.076 4.556 -0.000 0.000 0.267 319 H C 1.502 176.842 175.328 0.020 0.000 0.959 319 H CA 1.270 57.312 56.048 -0.011 0.000 1.204 319 H CB 0.746 30.501 29.762 -0.012 0.000 1.430 319 H HN 0.806 nan 8.280 nan 0.000 0.545 320 A N -0.384 122.521 122.820 0.142 0.000 2.401 320 A HA 0.551 4.871 4.320 -0.000 0.000 0.310 320 A C 1.444 179.141 177.584 0.188 0.000 1.075 320 A CA -0.089 52.040 52.037 0.153 0.000 0.746 320 A CB 1.216 20.319 19.000 0.173 0.000 1.277 320 A HN 0.216 nan 8.150 nan 0.000 0.425 321 G N 0.237 109.137 108.800 0.166 0.000 2.408 321 G HA2 0.262 4.222 3.960 -0.000 0.000 0.217 321 G HA3 0.262 4.222 3.960 -0.000 0.000 0.217 321 G C 0.760 175.857 174.900 0.329 0.000 1.150 321 G CA 1.763 46.977 45.100 0.189 0.000 0.776 321 G HN 1.436 nan 8.290 nan 0.000 0.542 322 T N -4.320 110.382 114.554 0.246 0.000 2.865 322 T HA 0.437 4.787 4.350 -0.000 0.000 0.294 322 T C 0.761 175.469 174.700 0.013 0.000 1.119 322 T CA -0.177 61.966 62.100 0.071 0.000 1.007 322 T CB 2.107 70.950 68.868 -0.043 0.000 1.225 322 T HN 0.050 nan 8.240 nan 0.000 0.515 323 Q N 0.282 119.923 119.800 -0.265 0.000 2.124 323 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 323 Q C 2.263 178.227 176.000 -0.061 0.000 0.977 323 Q CA 1.858 57.578 55.803 -0.137 0.000 0.850 323 Q CB -0.684 27.885 28.738 -0.282 0.000 0.901 323 Q HN 0.869 nan 8.270 nan 0.000 0.429 324 A N 0.500 123.270 122.820 -0.083 0.000 1.933 324 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 324 A C 1.925 179.502 177.584 -0.012 0.000 1.175 324 A CA 1.564 53.572 52.037 -0.047 0.000 0.628 324 A CB -0.480 18.487 19.000 -0.055 0.000 0.814 324 A HN 0.540 nan 8.150 nan 0.000 0.444 325 Q N -0.821 118.984 119.800 0.009 0.000 2.079 325 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 325 Q C 2.220 178.244 176.000 0.041 0.000 0.974 325 Q CA 1.172 56.993 55.803 0.030 0.000 0.840 325 Q CB -0.405 28.364 28.738 0.052 0.000 0.898 325 Q HN 0.687 nan 8.270 nan 0.000 0.430 326 G N 0.640 109.477 108.800 0.062 0.000 2.418 326 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 326 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 326 G C 1.486 176.406 174.900 0.034 0.000 1.158 326 G CA 0.810 45.951 45.100 0.068 0.000 0.771 326 G HN 0.419 nan 8.290 nan 0.000 0.545 327 A N 1.119 123.949 122.820 0.018 0.000 1.933 327 A HA 0.247 4.567 4.320 -0.000 0.000 0.218 327 A C 2.780 180.362 177.584 -0.003 0.000 1.175 327 A CA 2.253 54.291 52.037 0.000 0.000 0.628 327 A CB -0.683 18.309 19.000 -0.014 0.000 0.814 327 A HN 0.769 nan 8.150 nan 0.000 0.444 328 A N -0.242 122.578 122.820 -0.000 0.000 1.930 328 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 328 A C 2.159 179.743 177.584 -0.001 0.000 1.175 328 A CA 1.918 53.954 52.037 -0.002 0.000 0.627 328 A CB -0.403 18.598 19.000 0.001 0.000 0.815 328 A HN 0.507 nan 8.150 nan 0.000 0.443 329 R N -0.110 120.394 120.500 0.006 0.000 2.073 329 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 329 R C 1.804 178.100 176.300 -0.007 0.000 1.134 329 R CA 2.158 58.260 56.100 0.003 0.000 0.952 329 R CB -0.978 29.329 30.300 0.013 0.000 0.850 329 R HN 0.219 nan 8.270 nan 0.000 0.433 330 V N 1.060 120.970 119.914 -0.007 0.000 2.295 330 V HA -0.206 3.913 4.120 -0.000 0.000 0.246 330 V C 2.411 178.493 176.094 -0.019 0.000 1.049 330 V CA 1.937 64.228 62.300 -0.015 0.000 1.024 330 V CB -1.031 30.784 31.823 -0.013 0.000 0.648 330 V HN 0.581 nan 8.190 nan 0.000 0.447 331 A N 0.116 122.927 122.820 -0.016 0.000 1.917 331 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 331 A C 2.431 180.004 177.584 -0.017 0.000 1.182 331 A CA 2.355 54.381 52.037 -0.018 0.000 0.633 331 A CB -0.830 18.161 19.000 -0.015 0.000 0.819 331 A HN 0.604 nan 8.150 nan 0.000 0.448 332 A N -0.299 122.513 122.820 -0.014 0.000 1.902 332 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 332 A C 2.465 180.040 177.584 -0.016 0.000 1.181 332 A CA 2.040 54.070 52.037 -0.013 0.000 0.623 332 A CB -0.947 18.047 19.000 -0.009 0.000 0.818 332 A HN 1.138 nan 8.150 nan 0.000 0.443 333 A N -0.454 122.354 122.820 -0.019 0.000 2.067 333 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 333 A C 2.032 179.602 177.584 -0.024 0.000 1.158 333 A CA 1.257 53.281 52.037 -0.022 0.000 0.661 333 A CB -0.483 18.501 19.000 -0.027 0.000 0.801 333 A HN 0.486 nan 8.150 nan 0.000 0.452 334 L N -0.981 120.225 121.223 -0.027 0.000 2.240 334 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 334 L C 1.356 178.210 176.870 -0.026 0.000 1.106 334 L CA 0.871 55.691 54.840 -0.033 0.000 0.793 334 L CB -0.354 41.683 42.059 -0.038 0.000 0.927 334 L HN 0.232 nan 8.230 nan 0.000 0.446 335 D N -0.252 120.136 120.400 -0.020 0.000 2.327 335 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 335 D C 1.175 177.468 176.300 -0.012 0.000 0.989 335 D CA 0.821 54.812 54.000 -0.016 0.000 0.873 335 D CB 0.140 40.932 40.800 -0.014 0.000 0.955 335 D HN 0.452 nan 8.370 nan 0.000 0.515 336 D N -1.213 119.180 120.400 -0.011 0.000 2.369 336 D HA 0.185 4.825 4.640 -0.000 0.000 0.211 336 D C 1.488 177.785 176.300 -0.006 0.000 1.077 336 D CA 0.464 54.460 54.000 -0.008 0.000 0.842 336 D CB 0.278 41.074 40.800 -0.008 0.000 0.947 336 D HN 0.134 nan 8.370 nan 0.000 0.509 337 G N 0.305 109.101 108.800 -0.006 0.000 2.175 337 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.244 337 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.244 337 G C 1.240 176.143 174.900 0.005 0.000 0.982 337 G CA 0.737 45.837 45.100 0.000 0.000 0.641 337 G HN 0.631 nan 8.290 nan 0.000 0.527 338 S N 0.081 115.780 115.700 -0.001 0.000 2.414 338 S HA 0.419 4.889 4.470 -0.000 0.000 0.227 338 S C 2.593 177.196 174.600 0.005 0.000 1.022 338 S CA 1.468 59.668 58.200 -0.001 0.000 0.958 338 S CB -0.275 62.919 63.200 -0.010 0.000 0.797 338 S HN 1.669 nan 8.310 nan 0.000 0.493 339 A N 2.092 124.911 122.820 -0.001 0.000 1.877 339 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 339 A C 2.230 179.840 177.584 0.043 0.000 1.186 339 A CA 1.556 53.595 52.037 0.003 0.000 0.620 339 A CB -0.976 18.007 19.000 -0.028 0.000 0.822 339 A HN 0.520 nan 8.150 nan 0.000 0.443 340 L N 0.209 121.452 121.223 0.034 0.000 2.042 340 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 340 L C 2.402 179.346 176.870 0.123 0.000 1.076 340 L CA 2.365 57.254 54.840 0.081 0.000 0.749 340 L CB -1.031 41.054 42.059 0.043 0.000 0.893 340 L HN 0.311 nan 8.230 nan 0.000 0.432 341 G N -0.792 108.049 108.800 0.068 0.000 2.440 341 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 341 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 341 G C 1.646 176.580 174.900 0.057 0.000 1.154 341 G CA 0.597 45.727 45.100 0.052 0.000 0.767 341 G HN 0.287 nan 8.290 nan 0.000 0.552 342 R N -0.416 120.122 120.500 0.064 0.000 2.092 342 R HA 0.024 4.364 4.340 -0.000 0.000 0.231 342 R C 2.232 178.596 176.300 0.108 0.000 1.119 342 R CA 0.675 56.809 56.100 0.057 0.000 0.970 342 R CB -1.147 29.175 30.300 0.036 0.000 0.864 342 R HN 0.463 nan 8.270 nan 0.000 0.440 343 F N 2.340 122.286 119.950 -0.007 0.000 2.134 343 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 343 F C 2.404 178.220 175.800 0.027 0.000 1.097 343 F CA 1.555 59.559 58.000 0.008 0.000 1.264 343 F CB -0.225 38.772 39.000 -0.005 0.000 1.001 343 F HN 0.084 nan 8.300 nan 0.000 0.479 344 E N -0.108 120.106 120.200 0.023 0.000 2.085 344 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 344 E C 2.346 178.897 176.600 -0.082 0.000 0.994 344 E CA 1.050 57.413 56.400 -0.062 0.000 0.801 344 E CB -0.015 29.696 29.700 0.017 0.000 0.743 344 E HN 0.297 nan 8.360 nan 0.000 0.453 345 R N 0.112 120.587 120.500 -0.042 0.000 2.075 345 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 345 R C 2.376 178.640 176.300 -0.060 0.000 1.126 345 R CA 1.226 57.301 56.100 -0.040 0.000 0.963 345 R CB -0.669 29.619 30.300 -0.021 0.000 0.858 345 R HN 0.386 nan 8.270 nan 0.000 0.435 346 M N 0.784 120.342 119.600 -0.070 0.000 2.086 346 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 346 M C 2.090 178.345 176.300 -0.075 0.000 1.067 346 M CA 1.583 56.848 55.300 -0.058 0.000 1.116 346 M CB -0.060 32.532 32.600 -0.014 0.000 1.348 346 M HN 0.054 nan 8.290 nan 0.000 0.407 347 L N -0.022 121.111 121.223 -0.150 0.000 2.012 347 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 347 L C 2.757 179.582 176.870 -0.075 0.000 1.073 347 L CA 1.461 56.266 54.840 -0.059 0.000 0.748 347 L CB -1.170 40.770 42.059 -0.200 0.000 0.891 347 L HN 0.396 nan 8.230 nan 0.000 0.431 348 A N -0.047 122.722 122.820 -0.086 0.000 1.898 348 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 348 A C 2.488 180.019 177.584 -0.088 0.000 1.181 348 A CA 1.502 53.496 52.037 -0.071 0.000 0.620 348 A CB -0.630 18.338 19.000 -0.052 0.000 0.819 348 A HN 0.394 nan 8.150 nan 0.000 0.442 349 A N -1.030 121.734 122.820 -0.092 0.000 2.067 349 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 349 A C 1.870 179.364 177.584 -0.149 0.000 1.158 349 A CA 1.331 53.314 52.037 -0.091 0.000 0.661 349 A CB -0.320 18.643 19.000 -0.062 0.000 0.801 349 A HN 0.633 nan 8.150 nan 0.000 0.452 350 Q N -1.784 117.865 119.800 -0.251 0.000 2.220 350 Q HA 0.316 4.656 4.340 -0.000 0.000 0.205 350 Q C 0.942 176.682 176.000 -0.433 0.000 0.865 350 Q CA 0.334 55.871 55.803 -0.443 0.000 0.960 350 Q CB 0.466 28.691 28.738 -0.855 0.000 1.097 350 Q HN 0.785 nan 8.270 nan 0.000 0.493 351 G N -0.135 108.520 108.800 -0.242 0.000 2.284 351 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.201 351 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.201 351 G C 0.183 175.030 174.900 -0.087 0.000 0.998 351 G CA -0.345 44.662 45.100 -0.156 0.000 0.651 351 G HN 0.175 nan 8.290 nan 0.000 0.489 352 V N 2.105 121.977 119.914 -0.070 0.000 2.585 352 V HA 0.332 4.452 4.120 -0.000 0.000 0.296 352 V C 0.867 176.947 176.094 -0.023 0.000 1.035 352 V CA 0.336 62.631 62.300 -0.008 0.000 1.084 352 V CB 1.225 33.069 31.823 0.034 0.000 0.953 352 V HN 0.484 nan 8.190 nan 0.000 0.483 353 D N 6.740 127.132 120.400 -0.012 0.000 2.531 353 D HA 0.025 4.665 4.640 -0.000 0.000 0.239 353 D C -1.403 174.888 176.300 -0.014 0.000 1.144 353 D CA -0.733 53.260 54.000 -0.013 0.000 0.869 353 D CB 1.203 41.999 40.800 -0.007 0.000 1.160 353 D HN 0.281 nan 8.370 nan 0.000 0.484 354 P HA -0.137 nan 4.420 nan 0.000 0.216 354 P C 1.336 178.630 177.300 -0.010 0.000 1.154 354 P CA 1.570 64.660 63.100 -0.016 0.000 0.865 354 P CB 0.010 31.701 31.700 -0.015 0.000 0.789 355 G N -0.343 108.453 108.800 -0.006 0.000 2.418 355 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 355 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 355 G C 1.461 176.361 174.900 0.000 0.000 1.158 355 G CA 0.636 45.734 45.100 -0.002 0.000 0.771 355 G HN 0.252 nan 8.290 nan 0.000 0.545 356 L N 1.272 122.495 121.223 0.000 0.000 2.056 356 L HA 0.253 4.593 4.340 -0.000 0.000 0.207 356 L C 3.016 179.889 176.870 0.005 0.000 1.078 356 L CA 2.091 56.934 54.840 0.005 0.000 0.749 356 L CB -0.751 41.311 42.059 0.006 0.000 0.901 356 L HN 0.211 nan 8.230 nan 0.000 0.433 357 A N -0.147 122.671 122.820 -0.004 0.000 1.883 357 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 357 A C 2.485 180.069 177.584 0.001 0.000 1.186 357 A CA 1.979 54.008 52.037 -0.014 0.000 0.624 357 A CB -0.670 18.308 19.000 -0.036 0.000 0.822 357 A HN 0.497 nan 8.150 nan 0.000 0.444 358 R N -0.122 120.380 120.500 0.002 0.000 2.081 358 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 358 R C 2.175 178.485 176.300 0.016 0.000 1.131 358 R CA 1.822 57.928 56.100 0.010 0.000 0.960 358 R CB -0.682 29.621 30.300 0.005 0.000 0.856 358 R HN 0.402 nan 8.270 nan 0.000 0.436 359 A N 0.178 123.006 122.820 0.013 0.000 1.972 359 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 359 A C 2.036 179.633 177.584 0.021 0.000 1.169 359 A CA 1.348 53.394 52.037 0.014 0.000 0.635 359 A CB -0.545 18.461 19.000 0.010 0.000 0.810 359 A HN 0.375 nan 8.150 nan 0.000 0.446 360 L N -0.907 120.333 121.223 0.028 0.000 2.095 360 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 360 L C 2.408 179.315 176.870 0.062 0.000 1.080 360 L CA 1.937 56.803 54.840 0.043 0.000 0.759 360 L CB -0.450 41.639 42.059 0.050 0.000 0.914 360 L HN 0.444 nan 8.230 nan 0.000 0.439 361 C N -1.134 118.209 119.300 0.071 0.000 2.475 361 C HA -0.008 4.452 4.460 -0.000 0.000 0.279 361 C C 2.905 177.928 174.990 0.056 0.000 1.322 361 C CA 0.830 59.903 59.018 0.092 0.000 1.734 361 C CB -0.962 26.846 27.740 0.112 0.000 2.005 361 C HN 0.736 nan 8.230 nan 0.000 0.495 362 S N 0.396 116.118 115.700 0.038 0.000 2.558 362 S HA 0.205 4.675 4.470 -0.000 0.000 0.217 362 S C 0.930 175.541 174.600 0.019 0.000 0.975 362 S CA 0.445 58.660 58.200 0.025 0.000 0.912 362 S CB -0.306 62.905 63.200 0.019 0.000 0.776 362 S HN 0.546 nan 8.310 nan 0.000 0.526 363 G N 1.895 110.708 108.800 0.021 0.000 2.572 363 G HA2 0.446 4.405 3.960 -0.000 0.000 0.261 363 G HA3 0.446 4.405 3.960 -0.000 0.000 0.261 363 G C 0.025 174.931 174.900 0.011 0.000 1.197 363 G CA -0.121 44.988 45.100 0.014 0.000 0.870 363 G HN 0.545 nan 8.290 nan 0.000 0.548 364 S N 1.339 117.043 115.700 0.006 0.000 2.600 364 S HA 0.256 4.726 4.470 -0.000 0.000 0.265 364 S C -1.415 173.186 174.600 0.001 0.000 1.325 364 S CA -0.777 57.425 58.200 0.003 0.000 1.002 364 S CB 1.601 64.802 63.200 0.002 0.000 0.921 364 S HN 0.266 nan 8.310 nan 0.000 0.554 365 P HA -0.150 nan 4.420 nan 0.000 0.216 365 P C 1.570 178.867 177.300 -0.005 0.000 1.154 365 P CA 2.223 65.320 63.100 -0.006 0.000 0.865 365 P CB -0.306 31.389 31.700 -0.008 0.000 0.789 366 A N -0.424 122.395 122.820 -0.002 0.000 1.969 366 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 366 A C 2.123 179.708 177.584 0.001 0.000 1.169 366 A CA 1.601 53.638 52.037 -0.000 0.000 0.635 366 A CB -1.071 17.930 19.000 0.001 0.000 0.810 366 A HN 0.210 nan 8.150 nan 0.000 0.445 367 E N -0.463 119.738 120.200 0.002 0.000 2.107 367 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 367 E C 2.295 178.898 176.600 0.005 0.000 0.982 367 E CA 0.932 57.334 56.400 0.004 0.000 0.809 367 E CB -0.137 29.566 29.700 0.006 0.000 0.756 367 E HN 0.549 nan 8.360 nan 0.000 0.459 368 R N 0.697 121.200 120.500 0.005 0.000 2.083 368 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 368 R C 2.391 178.689 176.300 -0.003 0.000 1.137 368 R CA 1.221 57.325 56.100 0.006 0.000 0.951 368 R CB -0.211 30.093 30.300 0.007 0.000 0.851 368 R HN 0.055 nan 8.270 nan 0.000 0.434 369 R N 0.344 120.838 120.500 -0.010 0.000 2.117 369 R HA -0.156 4.183 4.340 -0.000 0.000 0.243 369 R C 2.343 178.637 176.300 -0.011 0.000 1.143 369 R CA 1.218 57.307 56.100 -0.019 0.000 0.968 369 R CB -0.172 30.117 30.300 -0.018 0.000 0.863 369 R HN 0.306 nan 8.270 nan 0.000 0.444 370 Q N 0.415 120.212 119.800 -0.004 0.000 2.119 370 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 370 Q C 2.146 178.147 176.000 0.001 0.000 0.972 370 Q CA 1.210 57.013 55.803 -0.000 0.000 0.847 370 Q CB 0.065 28.804 28.738 0.002 0.000 0.903 370 Q HN 0.402 nan 8.270 nan 0.000 0.433 371 L N -0.149 121.076 121.223 0.002 0.000 2.341 371 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 371 L C 0.885 177.757 176.870 0.004 0.000 1.115 371 L CA 0.213 55.056 54.840 0.005 0.000 0.820 371 L CB 0.087 42.152 42.059 0.010 0.000 0.944 371 L HN 0.024 nan 8.230 nan 0.000 0.452 372 L N -0.056 121.166 121.223 -0.001 0.000 2.334 372 L HA 0.417 4.757 4.340 -0.000 0.000 0.270 372 L C -2.126 174.738 176.870 -0.011 0.000 1.018 372 L CA -2.221 52.616 54.840 -0.004 0.000 0.811 372 L CB 1.037 43.092 42.059 -0.007 0.000 1.271 372 L HN -0.245 nan 8.230 nan 0.000 0.443 373 P HA 0.061 nan 4.420 nan 0.000 0.264 373 P C -1.134 176.152 177.300 -0.022 0.000 1.183 373 P CA 0.246 63.339 63.100 -0.011 0.000 0.763 373 P CB 0.369 32.063 31.700 -0.010 0.000 0.807 374 R N 1.692 122.184 120.500 -0.013 0.000 2.599 374 R HA 0.633 4.973 4.340 -0.000 0.000 0.295 374 R C -0.138 176.172 176.300 0.016 0.000 0.963 374 R CA -0.966 55.128 56.100 -0.011 0.000 0.883 374 R CB 2.070 32.373 30.300 0.003 0.000 1.171 374 R HN 0.480 nan 8.270 nan 0.000 0.450 375 A N 2.235 125.080 122.820 0.041 0.000 2.445 375 A HA 0.081 4.401 4.320 -0.000 0.000 0.242 375 A C 0.916 178.537 177.584 0.061 0.000 1.075 375 A CA -0.186 51.890 52.037 0.065 0.000 0.777 375 A CB 0.333 19.402 19.000 0.115 0.000 1.013 375 A HN 0.908 nan 8.150 nan 0.000 0.493 376 R N 0.668 121.190 120.500 0.036 0.000 2.152 376 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 376 R C -0.128 176.184 176.300 0.021 0.000 1.117 376 R CA 1.068 57.183 56.100 0.024 0.000 0.981 376 R CB -0.082 30.226 30.300 0.013 0.000 0.870 376 R HN 0.730 nan 8.270 nan 0.000 0.451 377 E N 0.772 120.984 120.200 0.020 0.000 2.343 377 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 377 E C -1.003 175.575 176.600 -0.036 0.000 0.895 377 E CA -0.605 55.791 56.400 -0.007 0.000 0.767 377 E CB 2.287 31.978 29.700 -0.015 0.000 1.248 377 E HN 0.042 nan 8.360 nan 0.000 0.440 378 Q N 0.925 120.674 119.800 -0.084 0.000 2.372 378 Q HA 0.375 4.715 4.340 -0.000 0.000 0.273 378 Q C -1.030 174.876 176.000 -0.157 0.000 1.078 378 Q CA -0.691 54.999 55.803 -0.189 0.000 0.806 378 Q CB 2.942 31.545 28.738 -0.225 0.000 1.332 378 Q HN 0.528 nan 8.270 nan 0.000 0.435 379 E N 0.952 121.037 120.200 -0.192 0.000 2.356 379 E HA 0.495 4.844 4.350 -0.000 0.000 0.275 379 E C -1.260 175.223 176.600 -0.195 0.000 0.904 379 E CA -0.854 55.454 56.400 -0.154 0.000 0.757 379 E CB 2.154 31.788 29.700 -0.111 0.000 1.232 379 E HN 0.380 nan 8.360 nan 0.000 0.442 380 E N 1.866 121.966 120.200 -0.167 0.000 2.179 380 E HA 0.343 4.693 4.350 -0.000 0.000 0.275 380 E C -0.986 175.500 176.600 -0.189 0.000 0.945 380 E CA -0.983 55.297 56.400 -0.200 0.000 0.792 380 E CB 1.715 31.326 29.700 -0.149 0.000 1.125 380 E HN 0.302 nan 8.360 nan 0.000 0.397 381 L N 3.348 124.385 121.223 -0.309 0.000 2.307 381 L HA 0.363 4.702 4.340 -0.000 0.000 0.282 381 L C -0.494 176.302 176.870 -0.123 0.000 1.051 381 L CA -0.084 54.616 54.840 -0.234 0.000 0.804 381 L CB 0.676 42.526 42.059 -0.349 0.000 1.197 381 L HN 0.341 nan 8.230 nan 0.000 0.431 382 L N 2.344 123.636 121.223 0.116 0.000 2.334 382 L HA 0.741 5.081 4.340 -0.000 0.000 0.272 382 L C 0.380 177.461 176.870 0.352 0.000 1.020 382 L CA -1.088 53.880 54.840 0.213 0.000 0.812 382 L CB 1.350 43.469 42.059 0.100 0.000 1.264 382 L HN 0.673 nan 8.230 nan 0.000 0.439 383 A N 2.633 125.624 122.820 0.284 0.000 2.492 383 A HA 0.308 4.628 4.320 -0.000 0.000 0.254 383 A C -1.488 176.132 177.584 0.059 0.000 1.091 383 A CA -0.970 51.137 52.037 0.118 0.000 0.768 383 A CB -0.199 18.829 19.000 0.047 0.000 1.028 383 A HN 0.637 nan 8.150 nan 0.000 0.498 384 P HA 0.084 nan 4.420 nan 0.000 0.225 384 P C 0.372 177.672 177.300 -0.001 0.000 1.156 384 P CA 1.762 64.871 63.100 0.015 0.000 0.787 384 P CB 0.256 31.956 31.700 0.001 0.000 0.802 385 A N -1.005 121.805 122.820 -0.018 0.000 2.568 385 A HA 0.489 4.809 4.320 -0.000 0.000 0.291 385 A C -1.374 176.196 177.584 -0.022 0.000 1.159 385 A CA -0.599 51.428 52.037 -0.017 0.000 0.679 385 A CB 0.193 19.180 19.000 -0.022 0.000 1.285 385 A HN -0.213 nan 8.150 nan 0.000 0.428 386 D N -0.147 120.243 120.400 -0.017 0.000 2.443 386 D HA 0.503 5.142 4.640 -0.000 0.000 0.239 386 D C 0.427 176.711 176.300 -0.028 0.000 1.136 386 D CA 2.074 56.063 54.000 -0.018 0.000 0.879 386 D CB 1.168 41.961 40.800 -0.012 0.000 1.195 386 D HN 1.147 nan 8.370 nan 0.000 0.443 387 G N 0.159 108.940 108.800 -0.032 0.000 2.338 387 G HA2 0.319 4.279 3.960 -0.000 0.000 0.295 387 G HA3 0.319 4.279 3.960 -0.000 0.000 0.295 387 G C -1.143 173.733 174.900 -0.040 0.000 1.461 387 G CA -0.802 44.278 45.100 -0.034 0.000 0.817 387 G HN 0.303 nan 8.290 nan 0.000 0.556 388 T N 0.930 115.469 114.554 -0.025 0.000 2.771 388 T HA 0.430 4.780 4.350 -0.000 0.000 0.291 388 T C 0.670 175.340 174.700 -0.050 0.000 0.954 388 T CA -0.288 61.789 62.100 -0.039 0.000 1.045 388 T CB 1.483 70.369 68.868 0.030 0.000 0.917 388 T HN 0.638 nan 8.240 nan 0.000 0.484 389 V N 4.989 124.837 119.914 -0.110 0.000 2.420 389 V HA -0.000 4.119 4.120 -0.000 0.000 0.274 389 V C 1.557 177.634 176.094 -0.029 0.000 1.003 389 V CA 0.304 62.539 62.300 -0.108 0.000 1.092 389 V CB -0.123 31.622 31.823 -0.129 0.000 1.002 389 V HN 0.861 nan 8.190 nan 0.000 0.473 390 E N 3.133 123.363 120.200 0.049 0.000 2.112 390 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 390 E C 0.180 176.857 176.600 0.129 0.000 0.979 390 E CA 0.603 57.108 56.400 0.175 0.000 0.814 390 E CB 0.466 30.222 29.700 0.094 0.000 0.762 390 E HN 0.549 nan 8.360 nan 0.000 0.460 391 L N -1.144 120.094 121.223 0.026 0.000 2.643 391 L HA 0.247 4.587 4.340 -0.000 0.000 0.256 391 L C -1.853 174.994 176.870 -0.038 0.000 0.931 391 L CA -0.550 54.297 54.840 0.012 0.000 0.895 391 L CB 2.008 44.075 42.059 0.013 0.000 1.430 391 L HN -0.319 nan 8.230 nan 0.000 0.419 392 V N 4.387 124.299 119.914 -0.005 0.000 2.326 392 V HA 0.535 4.655 4.120 -0.000 0.000 0.281 392 V C 0.173 176.291 176.094 0.039 0.000 1.015 392 V CA -0.513 61.795 62.300 0.014 0.000 0.823 392 V CB 1.256 33.138 31.823 0.099 0.000 1.009 392 V HN 0.705 nan 8.190 nan 0.000 0.436 393 R N 3.000 123.515 120.500 0.026 0.000 2.421 393 R HA 0.319 4.659 4.340 -0.000 0.000 0.305 393 R C 1.359 177.687 176.300 0.047 0.000 1.039 393 R CA 0.444 56.561 56.100 0.028 0.000 1.003 393 R CB 0.872 31.180 30.300 0.013 0.000 0.959 393 R HN 0.860 nan 8.270 nan 0.000 0.427 394 A N 4.180 127.022 122.820 0.037 0.000 1.929 394 A HA -0.148 4.171 4.320 -0.000 0.000 0.216 394 A C 1.833 179.431 177.584 0.025 0.000 1.176 394 A CA 0.802 52.863 52.037 0.041 0.000 0.628 394 A CB -0.285 18.738 19.000 0.037 0.000 0.816 394 A HN 0.685 nan 8.150 nan 0.000 0.444 395 L N 0.610 121.829 121.223 -0.006 0.000 1.989 395 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 395 L C -0.852 175.961 176.870 -0.094 0.000 1.071 395 L CA 2.533 57.319 54.840 -0.090 0.000 0.749 395 L CB -1.208 40.782 42.059 -0.116 0.000 0.890 395 L HN 0.174 nan 8.230 nan 0.000 0.431 396 P HA -0.154 nan 4.420 nan 0.000 0.220 396 P C 2.179 179.488 177.300 0.015 0.000 1.148 396 P CA 1.325 64.417 63.100 -0.014 0.000 0.803 396 P CB -0.031 31.682 31.700 0.021 0.000 0.782 397 L N -0.892 120.354 121.223 0.037 0.000 2.027 397 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 397 L C 2.336 179.232 176.870 0.044 0.000 1.074 397 L CA 1.547 56.418 54.840 0.051 0.000 0.745 397 L CB -0.832 41.269 42.059 0.069 0.000 0.898 397 L HN -0.062 nan 8.230 nan 0.000 0.433 398 A N -0.059 122.786 122.820 0.041 0.000 1.908 398 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 398 A C 2.147 179.782 177.584 0.085 0.000 1.181 398 A CA 1.721 53.807 52.037 0.081 0.000 0.627 398 A CB -0.817 18.263 19.000 0.133 0.000 0.818 398 A HN 0.464 nan 8.150 nan 0.000 0.445 399 L N -0.775 120.443 121.223 -0.009 0.000 2.056 399 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 399 L C 2.521 179.428 176.870 0.061 0.000 1.078 399 L CA 1.010 55.838 54.840 -0.019 0.000 0.749 399 L CB -0.566 41.435 42.059 -0.096 0.000 0.901 399 L HN 0.251 nan 8.230 nan 0.000 0.433 400 V N 0.081 120.026 119.914 0.052 0.000 2.307 400 V HA -0.248 3.871 4.120 -0.000 0.000 0.245 400 V C 2.377 178.520 176.094 0.082 0.000 1.045 400 V CA 1.473 63.809 62.300 0.060 0.000 1.024 400 V CB -0.287 31.560 31.823 0.039 0.000 0.651 400 V HN 0.330 nan 8.190 nan 0.000 0.449 401 L N -0.550 120.726 121.223 0.087 0.000 2.083 401 L HA -0.211 4.128 4.340 -0.000 0.000 0.209 401 L C 2.538 179.483 176.870 0.124 0.000 1.083 401 L CA 2.064 56.958 54.840 0.089 0.000 0.752 401 L CB -0.881 41.223 42.059 0.074 0.000 0.899 401 L HN 0.477 nan 8.230 nan 0.000 0.433 402 H N 0.733 119.840 119.070 0.063 0.000 2.319 402 H HA -0.232 4.324 4.556 -0.000 0.000 0.297 402 H C 2.115 177.477 175.328 0.056 0.000 1.097 402 H CA 2.253 58.345 56.048 0.073 0.000 1.285 402 H CB 0.140 29.953 29.762 0.085 0.000 1.368 402 H HN 0.335 nan 8.280 nan 0.000 0.495 403 E N -0.018 120.308 120.200 0.210 0.000 2.268 403 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 403 E C 1.866 178.497 176.600 0.051 0.000 0.995 403 E CA 0.892 57.369 56.400 0.128 0.000 0.836 403 E CB 0.093 29.862 29.700 0.114 0.000 0.763 403 E HN 0.561 nan 8.360 nan 0.000 0.491 404 L N -0.706 120.544 121.223 0.044 0.000 2.591 404 L HA 0.160 4.500 4.340 -0.000 0.000 0.228 404 L C 1.403 178.279 176.870 0.011 0.000 1.133 404 L CA 0.470 55.327 54.840 0.027 0.000 0.880 404 L CB 0.271 42.350 42.059 0.033 0.000 1.033 404 L HN 0.320 nan 8.230 nan 0.000 0.450 405 G N -0.957 107.835 108.800 -0.014 0.000 2.227 405 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.168 405 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.168 405 G C 0.808 175.690 174.900 -0.030 0.000 1.006 405 G CA 0.041 45.120 45.100 -0.035 0.000 0.684 405 G HN 0.273 nan 8.290 nan 0.000 0.489 406 A N 0.016 122.845 122.820 0.015 0.000 2.238 406 A HA 0.672 4.992 4.320 -0.000 0.000 0.208 406 A C 1.395 179.027 177.584 0.080 0.000 1.177 406 A CA 1.864 53.975 52.037 0.124 0.000 0.804 406 A CB -0.087 19.011 19.000 0.163 0.000 0.823 406 A HN 1.790 nan 8.150 nan 0.000 0.482 407 G N -1.083 107.605 108.800 -0.186 0.000 2.798 407 G HA2 0.596 4.556 3.960 -0.000 0.000 0.286 407 G HA3 0.596 4.556 3.960 -0.000 0.000 0.286 407 G C -0.962 173.640 174.900 -0.495 0.000 1.389 407 G CA -0.926 43.926 45.100 -0.414 0.000 0.894 407 G HN 0.213 nan 8.290 nan 0.000 0.488 408 R N -0.420 119.882 120.500 -0.330 0.000 2.562 408 R HA 0.451 4.791 4.340 -0.000 0.000 0.298 408 R C 0.600 176.918 176.300 0.031 0.000 0.961 408 R CA -0.358 55.677 56.100 -0.108 0.000 0.881 408 R CB 1.942 32.242 30.300 -0.001 0.000 1.159 408 R HN 0.589 nan 8.270 nan 0.000 0.450 409 S N 1.971 117.695 115.700 0.040 0.000 2.524 409 S HA 0.098 4.568 4.470 -0.000 0.000 0.215 409 S C 0.454 175.095 174.600 0.068 0.000 0.986 409 S CA -0.413 57.847 58.200 0.101 0.000 0.911 409 S CB 0.124 63.374 63.200 0.082 0.000 0.805 409 S HN 0.685 nan 8.310 nan 0.000 0.501 410 R N -0.196 120.333 120.500 0.047 0.000 2.663 410 R HA 0.739 5.079 4.340 -0.000 0.000 0.267 410 R C -1.161 175.162 176.300 0.038 0.000 1.038 410 R CA -0.750 55.374 56.100 0.042 0.000 0.886 410 R CB 0.807 31.126 30.300 0.032 0.000 1.249 410 R HN 0.046 nan 8.270 nan 0.000 0.463 411 A N 0.642 123.487 122.820 0.043 0.000 2.462 411 A HA 0.472 4.792 4.320 -0.000 0.000 0.243 411 A C 1.405 179.008 177.584 0.033 0.000 1.076 411 A CA 0.834 52.898 52.037 0.046 0.000 0.773 411 A CB -0.415 18.616 19.000 0.052 0.000 1.010 411 A HN 1.612 nan 8.150 nan 0.000 0.493 412 G N 0.708 109.526 108.800 0.031 0.000 2.184 412 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 412 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 412 G C 0.229 175.134 174.900 0.007 0.000 0.975 412 G CA 0.564 45.675 45.100 0.019 0.000 0.642 412 G HN 1.121 nan 8.290 nan 0.000 0.536 413 E N 1.634 121.837 120.200 0.005 0.000 2.324 413 E HA 0.377 4.726 4.350 -0.000 0.000 0.271 413 E C -1.967 174.619 176.600 -0.023 0.000 1.028 413 E CA -1.639 54.756 56.400 -0.008 0.000 0.890 413 E CB 0.699 30.392 29.700 -0.011 0.000 1.004 413 E HN 0.215 nan 8.360 nan 0.000 0.431 414 P HA 0.069 nan 4.420 nan 0.000 0.271 414 P C -0.805 176.457 177.300 -0.064 0.000 1.218 414 P CA 0.088 63.162 63.100 -0.043 0.000 0.780 414 P CB 0.557 32.237 31.700 -0.033 0.000 0.901 415 L N 2.408 123.572 121.223 -0.097 0.000 2.344 415 L HA 0.472 4.812 4.340 -0.000 0.000 0.272 415 L C 0.908 177.715 176.870 -0.105 0.000 1.035 415 L CA -0.876 53.886 54.840 -0.130 0.000 0.807 415 L CB 1.094 43.003 42.059 -0.251 0.000 1.237 415 L HN 0.206 nan 8.230 nan 0.000 0.442 416 R N 2.413 122.869 120.500 -0.074 0.000 2.296 416 R HA 0.238 4.578 4.340 -0.000 0.000 0.327 416 R C 0.583 176.867 176.300 -0.026 0.000 1.137 416 R CA -0.254 55.822 56.100 -0.038 0.000 1.020 416 R CB 0.444 30.737 30.300 -0.011 0.000 1.110 416 R HN 0.598 nan 8.270 nan 0.000 0.499 417 L N 1.106 122.300 121.223 -0.049 0.000 2.376 417 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 417 L C 2.049 178.943 176.870 0.040 0.000 1.133 417 L CA 0.935 55.759 54.840 -0.027 0.000 0.816 417 L CB 0.002 42.025 42.059 -0.061 0.000 0.933 417 L HN 0.769 nan 8.230 nan 0.000 0.449 418 G N -0.690 108.119 108.800 0.016 0.000 2.683 418 G HA2 0.066 4.026 3.960 -0.000 0.000 0.213 418 G HA3 0.066 4.026 3.960 -0.000 0.000 0.213 418 G C 0.677 175.585 174.900 0.012 0.000 1.142 418 G CA -0.131 44.967 45.100 -0.003 0.000 0.793 418 G HN 0.045 nan 8.290 nan 0.000 0.534 419 V N 0.796 120.742 119.914 0.052 0.000 2.740 419 V HA 0.583 4.703 4.120 -0.000 0.000 0.303 419 V C 0.925 177.065 176.094 0.076 0.000 1.054 419 V CA 1.025 63.371 62.300 0.077 0.000 1.106 419 V CB 0.697 32.560 31.823 0.067 0.000 0.957 419 V HN 0.591 nan 8.190 nan 0.000 0.486 420 G N 2.622 111.476 108.800 0.090 0.000 2.327 420 G HA2 0.664 4.623 3.960 -0.000 0.000 0.291 420 G HA3 0.664 4.623 3.960 -0.000 0.000 0.291 420 G C -1.360 173.612 174.900 0.120 0.000 1.290 420 G CA -0.002 45.136 45.100 0.062 0.000 0.857 420 G HN 1.260 nan 8.290 nan 0.000 0.520 421 A N -0.668 122.200 122.820 0.080 0.000 2.539 421 A HA 0.868 5.188 4.320 -0.000 0.000 0.296 421 A C -0.948 176.667 177.584 0.053 0.000 1.073 421 A CA -0.498 51.580 52.037 0.068 0.000 0.700 421 A CB 1.732 20.722 19.000 -0.018 0.000 1.296 421 A HN 0.647 nan 8.150 nan 0.000 0.405 422 E N 1.581 121.805 120.200 0.040 0.000 2.165 422 E HA 0.452 4.802 4.350 -0.000 0.000 0.266 422 E C -1.096 175.488 176.600 -0.026 0.000 0.889 422 E CA -0.532 55.881 56.400 0.021 0.000 0.756 422 E CB 1.904 31.642 29.700 0.064 0.000 1.131 422 E HN 0.565 nan 8.360 nan 0.000 0.411 423 L N 4.277 125.503 121.223 0.006 0.000 2.410 423 L HA 0.126 4.466 4.340 -0.000 0.000 0.273 423 L C 0.856 177.748 176.870 0.036 0.000 1.144 423 L CA 0.021 54.886 54.840 0.043 0.000 0.863 423 L CB 0.344 42.458 42.059 0.091 0.000 1.140 423 L HN 0.607 nan 8.230 nan 0.000 0.463 424 L N 4.487 125.739 121.223 0.047 0.000 2.640 424 L HA 0.169 4.509 4.340 -0.000 0.000 0.230 424 L C 0.219 177.126 176.870 0.062 0.000 1.123 424 L CA -0.073 54.790 54.840 0.037 0.000 0.900 424 L CB 0.339 42.404 42.059 0.011 0.000 1.146 424 L HN 0.524 nan 8.230 nan 0.000 0.484 425 V N -5.453 114.519 119.914 0.096 0.000 3.040 425 V HA 0.589 4.708 4.120 -0.000 0.000 0.312 425 V C -1.010 175.108 176.094 0.039 0.000 1.115 425 V CA -0.995 61.347 62.300 0.069 0.000 0.998 425 V CB 2.532 34.413 31.823 0.097 0.000 1.042 425 V HN -0.167 nan 8.190 nan 0.000 0.433 426 D N 0.957 121.351 120.400 -0.010 0.000 2.229 426 D HA 0.496 5.136 4.640 -0.000 0.000 0.249 426 D C -0.260 175.990 176.300 -0.084 0.000 1.027 426 D CA -0.186 53.790 54.000 -0.040 0.000 0.923 426 D CB 2.310 43.071 40.800 -0.066 0.000 1.174 426 D HN 0.507 nan 8.370 nan 0.000 0.443 427 V N 1.127 120.992 119.914 -0.081 0.000 2.585 427 V HA 0.366 4.486 4.120 -0.000 0.000 0.296 427 V C 1.449 177.320 176.094 -0.373 0.000 1.035 427 V CA 1.337 63.559 62.300 -0.130 0.000 1.084 427 V CB 0.706 32.528 31.823 -0.002 0.000 0.953 427 V HN 0.966 nan 8.190 nan 0.000 0.483 428 G N 3.612 111.962 108.800 -0.751 0.000 2.194 428 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.236 428 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.236 428 G C 0.285 174.746 174.900 -0.732 0.000 0.987 428 G CA 0.299 44.444 45.100 -1.592 0.000 0.635 428 G HN 0.775 nan 8.290 nan 0.000 0.520 429 Q N 0.306 119.872 119.800 -0.390 0.000 2.288 429 Q HA 0.593 4.933 4.340 -0.000 0.000 0.254 429 Q C 0.354 176.261 176.000 -0.156 0.000 0.932 429 Q CA -0.731 54.945 55.803 -0.212 0.000 0.902 429 Q CB 0.533 29.193 28.738 -0.130 0.000 1.203 429 Q HN 0.282 nan 8.270 nan 0.000 0.415 430 R N 3.929 124.365 120.500 -0.106 0.000 2.298 430 R HA 0.408 4.748 4.340 -0.000 0.000 0.310 430 R C -1.077 175.196 176.300 -0.045 0.000 1.068 430 R CA -0.114 55.947 56.100 -0.064 0.000 0.957 430 R CB 0.234 30.510 30.300 -0.041 0.000 1.003 430 R HN 0.642 nan 8.270 nan 0.000 0.454 431 L N 0.814 122.014 121.223 -0.037 0.000 2.371 431 L HA 0.777 5.117 4.340 -0.000 0.000 0.262 431 L C -0.771 176.092 176.870 -0.012 0.000 1.006 431 L CA -1.472 53.356 54.840 -0.019 0.000 0.818 431 L CB 2.126 44.180 42.059 -0.009 0.000 1.354 431 L HN 0.345 nan 8.230 nan 0.000 0.415 432 R N 1.093 121.593 120.500 -0.000 0.000 2.528 432 R HA 0.448 4.787 4.340 -0.000 0.000 0.271 432 R C -0.481 175.826 176.300 0.011 0.000 1.056 432 R CA -0.650 55.451 56.100 0.003 0.000 1.117 432 R CB 0.678 30.981 30.300 0.005 0.000 1.085 432 R HN 0.790 nan 8.270 nan 0.000 0.530 433 R N 0.164 120.669 120.500 0.009 0.000 2.590 433 R HA 0.358 4.697 4.340 -0.000 0.000 0.274 433 R C 0.377 176.694 176.300 0.028 0.000 1.061 433 R CA 0.530 56.640 56.100 0.017 0.000 1.081 433 R CB 0.210 30.517 30.300 0.011 0.000 0.984 433 R HN 0.701 nan 8.270 nan 0.000 0.448 434 G N 1.514 110.340 108.800 0.044 0.000 2.176 434 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 434 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 434 G C 0.110 175.040 174.900 0.051 0.000 0.979 434 G CA 0.388 45.515 45.100 0.045 0.000 0.641 434 G HN 1.038 nan 8.290 nan 0.000 0.530 435 T N 0.145 114.737 114.554 0.063 0.000 2.780 435 T HA 0.591 4.941 4.350 -0.000 0.000 0.294 435 T C -2.365 172.401 174.700 0.110 0.000 0.949 435 T CA -1.674 60.466 62.100 0.066 0.000 1.074 435 T CB 2.173 71.074 68.868 0.054 0.000 0.910 435 T HN 0.081 nan 8.240 nan 0.000 0.501 436 P HA 0.083 nan 4.420 nan 0.000 0.267 436 P C 0.556 177.918 177.300 0.105 0.000 1.205 436 P CA -0.442 62.683 63.100 0.042 0.000 0.765 436 P CB 0.251 31.937 31.700 -0.023 0.000 0.828 437 W N 4.027 125.315 121.300 -0.020 0.000 2.873 437 W HA 0.401 5.061 4.660 -0.000 0.000 0.282 437 W C -1.442 175.067 176.519 -0.017 0.000 1.118 437 W CA -0.013 57.321 57.345 -0.019 0.000 1.480 437 W CB 0.065 29.514 29.460 -0.019 0.000 0.954 437 W HN 0.134 nan 8.180 nan 0.000 0.591 438 L N 2.136 122.885 121.223 -0.789 0.000 2.464 438 L HA 0.536 4.876 4.340 -0.000 0.000 0.266 438 L C -0.706 175.868 176.870 -0.495 0.000 0.965 438 L CA -1.042 53.331 54.840 -0.778 0.000 0.833 438 L CB 2.179 43.356 42.059 -1.470 0.000 1.296 438 L HN -0.024 nan 8.230 nan 0.000 0.405 439 R N 3.750 124.066 120.500 -0.307 0.000 2.295 439 R HA 0.770 5.110 4.340 -0.000 0.000 0.324 439 R C -1.673 174.457 176.300 -0.283 0.000 0.968 439 R CA -0.528 55.402 56.100 -0.283 0.000 0.837 439 R CB 1.389 31.556 30.300 -0.222 0.000 1.133 439 R HN 0.523 nan 8.270 nan 0.000 0.450 440 V N 5.040 124.770 119.914 -0.307 0.000 2.427 440 V HA 0.284 4.403 4.120 -0.000 0.000 0.286 440 V C -0.143 175.775 176.094 -0.295 0.000 1.034 440 V CA -0.625 61.549 62.300 -0.209 0.000 0.893 440 V CB 1.397 33.130 31.823 -0.151 0.000 0.982 440 V HN 0.772 nan 8.190 nan 0.000 0.452 441 H N 6.068 125.107 119.070 -0.051 0.000 2.541 441 H HA 0.597 5.153 4.556 -0.000 0.000 0.316 441 H C -0.106 175.209 175.328 -0.021 0.000 1.043 441 H CA -0.505 55.524 56.048 -0.033 0.000 1.232 441 H CB 1.416 31.163 29.762 -0.025 0.000 1.406 441 H HN 0.708 nan 8.280 nan 0.000 0.469 442 R N 1.291 121.825 120.500 0.055 0.000 2.771 442 R HA 0.333 4.673 4.340 -0.000 0.000 0.274 442 R C -0.866 175.450 176.300 0.026 0.000 0.987 442 R CA -0.791 55.328 56.100 0.032 0.000 0.908 442 R CB 1.398 31.700 30.300 0.003 0.000 1.213 442 R HN 0.230 nan 8.270 nan 0.000 0.468 443 D N 0.644 121.056 120.400 0.021 0.000 2.366 443 D HA 0.098 4.738 4.640 -0.000 0.000 0.205 443 D C 0.740 177.045 176.300 0.007 0.000 1.022 443 D CA 0.675 54.683 54.000 0.014 0.000 0.868 443 D CB 0.495 41.302 40.800 0.012 0.000 0.953 443 D HN 0.668 nan 8.370 nan 0.000 0.514 444 G N 1.297 110.100 108.800 0.005 0.000 2.562 444 G HA2 0.268 4.228 3.960 -0.000 0.000 0.275 444 G HA3 0.268 4.228 3.960 -0.000 0.000 0.275 444 G C -1.411 173.488 174.900 -0.002 0.000 1.196 444 G CA -0.808 44.294 45.100 0.002 0.000 0.908 444 G HN -0.103 nan 8.290 nan 0.000 0.524 445 P HA 0.109 nan 4.420 nan 0.000 0.222 445 P C 0.342 177.637 177.300 -0.009 0.000 1.147 445 P CA 1.590 64.687 63.100 -0.005 0.000 0.790 445 P CB 0.374 32.073 31.700 -0.003 0.000 0.780 446 A N -1.477 121.338 122.820 -0.008 0.000 2.540 446 A HA 0.568 4.888 4.320 -0.000 0.000 0.291 446 A C -1.541 176.039 177.584 -0.008 0.000 1.083 446 A CA -0.751 51.280 52.037 -0.010 0.000 0.650 446 A CB 0.096 19.092 19.000 -0.007 0.000 1.292 446 A HN -0.029 nan 8.150 nan 0.000 0.435 447 L N 1.739 122.956 121.223 -0.010 0.000 2.334 447 L HA 0.505 4.845 4.340 -0.000 0.000 0.277 447 L C 1.229 178.100 176.870 0.002 0.000 1.075 447 L CA -0.448 54.390 54.840 -0.004 0.000 0.804 447 L CB 1.619 43.672 42.059 -0.009 0.000 1.174 447 L HN 0.911 nan 8.230 nan 0.000 0.438 448 S N 1.385 117.089 115.700 0.007 0.000 2.589 448 S HA 0.110 4.580 4.470 -0.000 0.000 0.265 448 S C 1.318 175.924 174.600 0.011 0.000 1.342 448 S CA -0.149 58.057 58.200 0.009 0.000 1.005 448 S CB 1.301 64.509 63.200 0.013 0.000 0.909 448 S HN 0.797 nan 8.310 nan 0.000 0.555 449 G N 1.652 110.459 108.800 0.011 0.000 2.476 449 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.218 449 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.218 449 G C -0.979 173.930 174.900 0.016 0.000 1.164 449 G CA 0.910 46.018 45.100 0.013 0.000 0.768 449 G HN 0.677 nan 8.290 nan 0.000 0.560 450 P HA -0.123 nan 4.420 nan 0.000 0.215 450 P C 2.005 179.318 177.300 0.020 0.000 1.153 450 P CA 1.775 64.885 63.100 0.017 0.000 0.853 450 P CB -0.173 31.536 31.700 0.015 0.000 0.788 451 Q N -1.038 118.774 119.800 0.020 0.000 2.230 451 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 451 Q C 2.204 178.219 176.000 0.026 0.000 0.963 451 Q CA 1.514 57.331 55.803 0.023 0.000 0.866 451 Q CB -1.041 27.710 28.738 0.022 0.000 0.931 451 Q HN 0.087 nan 8.270 nan 0.000 0.452 452 S N 0.796 116.509 115.700 0.022 0.000 2.368 452 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 452 S C 2.030 176.659 174.600 0.048 0.000 1.029 452 S CA 0.939 59.155 58.200 0.026 0.000 0.988 452 S CB -0.052 63.158 63.200 0.018 0.000 0.838 452 S HN 0.416 nan 8.310 nan 0.000 0.462 453 R N 0.434 120.959 120.500 0.041 0.000 2.075 453 R HA 0.036 4.376 4.340 -0.000 0.000 0.232 453 R C 2.607 178.940 176.300 0.055 0.000 1.126 453 R CA 1.251 57.379 56.100 0.046 0.000 0.963 453 R CB -0.525 29.793 30.300 0.030 0.000 0.858 453 R HN 0.496 nan 8.270 nan 0.000 0.435 454 A N 0.867 123.716 122.820 0.047 0.000 1.972 454 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 454 A C 2.084 179.716 177.584 0.079 0.000 1.169 454 A CA 1.065 53.130 52.037 0.047 0.000 0.635 454 A CB -0.386 18.633 19.000 0.030 0.000 0.810 454 A HN 0.191 nan 8.150 nan 0.000 0.446 455 L N -1.204 120.080 121.223 0.101 0.000 2.156 455 L HA -0.184 4.155 4.340 -0.000 0.000 0.208 455 L C 2.814 179.881 176.870 0.328 0.000 1.095 455 L CA 1.168 56.111 54.840 0.171 0.000 0.770 455 L CB -0.481 41.634 42.059 0.093 0.000 0.914 455 L HN 0.485 nan 8.230 nan 0.000 0.439 456 Q N 0.255 120.206 119.800 0.253 0.000 2.079 456 Q HA -0.227 4.113 4.340 -0.000 0.000 0.200 456 Q C 1.870 177.934 176.000 0.107 0.000 0.974 456 Q CA 1.757 57.719 55.803 0.264 0.000 0.840 456 Q CB 0.018 28.852 28.738 0.160 0.000 0.898 456 Q HN 0.564 nan 8.270 nan 0.000 0.430 457 E N 0.140 120.382 120.200 0.070 0.000 2.478 457 E HA -0.047 4.303 4.350 -0.000 0.000 0.198 457 E C 1.462 178.059 176.600 -0.005 0.000 1.046 457 E CA 0.920 57.327 56.400 0.011 0.000 0.870 457 E CB -0.130 29.578 29.700 0.014 0.000 0.818 457 E HN 0.283 nan 8.360 nan 0.000 0.527 458 A N 0.862 123.710 122.820 0.047 0.000 1.968 458 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 458 A C 1.126 178.640 177.584 -0.115 0.000 1.169 458 A CA 0.281 52.343 52.037 0.042 0.000 0.638 458 A CB -0.323 18.792 19.000 0.192 0.000 0.812 458 A HN 0.342 nan 8.150 nan 0.000 0.446 459 L N 1.599 122.596 121.223 -0.376 0.000 2.385 459 L HA 0.316 4.656 4.340 -0.000 0.000 0.281 459 L C -0.569 176.083 176.870 -0.365 0.000 1.106 459 L CA 0.196 54.627 54.840 -0.681 0.000 0.856 459 L CB 0.634 41.814 42.059 -1.465 0.000 1.186 459 L HN 0.040 nan 8.230 nan 0.000 0.453 460 V N 7.127 126.895 119.914 -0.245 0.000 2.370 460 V HA 0.393 4.512 4.120 -0.000 0.000 0.279 460 V C 0.272 176.286 176.094 -0.134 0.000 1.029 460 V CA -0.528 61.684 62.300 -0.145 0.000 0.870 460 V CB 1.117 32.894 31.823 -0.077 0.000 0.984 460 V HN 0.577 nan 8.190 nan 0.000 0.451 461 L N 4.567 125.720 121.223 -0.117 0.000 2.330 461 L HA 0.853 5.193 4.340 -0.000 0.000 0.271 461 L C 0.188 177.034 176.870 -0.041 0.000 1.013 461 L CA -0.192 54.596 54.840 -0.087 0.000 0.816 461 L CB 2.261 44.255 42.059 -0.108 0.000 1.287 461 L HN 0.806 nan 8.230 nan 0.000 0.435 462 S N -1.194 114.498 115.700 -0.013 0.000 2.685 462 S HA 0.370 4.840 4.470 -0.000 0.000 0.282 462 S C -0.263 174.343 174.600 0.011 0.000 1.159 462 S CA -0.702 57.501 58.200 0.004 0.000 0.833 462 S CB 1.909 65.124 63.200 0.025 0.000 1.151 462 S HN 0.566 nan 8.310 nan 0.000 0.485 463 D N 0.482 120.889 120.400 0.011 0.000 2.347 463 D HA 0.184 4.823 4.640 -0.000 0.000 0.215 463 D C 0.709 177.025 176.300 0.026 0.000 0.976 463 D CA 0.346 54.353 54.000 0.012 0.000 0.884 463 D CB -0.128 40.675 40.800 0.005 0.000 0.915 463 D HN 0.375 nan 8.370 nan 0.000 0.526 464 R N 0.409 120.936 120.500 0.045 0.000 2.817 464 R HA 0.258 4.597 4.340 -0.000 0.000 0.264 464 R C 0.363 176.716 176.300 0.089 0.000 1.009 464 R CA -0.080 56.060 56.100 0.066 0.000 1.133 464 R CB 0.359 30.714 30.300 0.090 0.000 1.013 464 R HN -0.013 nan 8.270 nan 0.000 0.453 465 A N 3.745 126.620 122.820 0.092 0.000 2.445 465 A HA 0.240 4.560 4.320 -0.000 0.000 0.242 465 A C -1.906 175.783 177.584 0.176 0.000 1.075 465 A CA -1.242 50.853 52.037 0.097 0.000 0.777 465 A CB -0.223 18.822 19.000 0.074 0.000 1.013 465 A HN 0.460 nan 8.150 nan 0.000 0.493 466 P HA 0.324 nan 4.420 nan 0.000 0.267 466 P C -0.843 176.532 177.300 0.125 0.000 1.200 466 P CA 0.543 63.658 63.100 0.026 0.000 0.772 466 P CB 0.160 31.836 31.700 -0.040 0.000 0.855 467 F N -1.436 118.510 119.950 -0.005 0.000 2.645 467 F HA 0.745 5.272 4.527 -0.000 0.000 0.310 467 F C -0.872 174.928 175.800 -0.001 0.000 1.102 467 F CA -1.893 56.105 58.000 -0.003 0.000 0.952 467 F CB 0.653 39.651 39.000 -0.004 0.000 1.326 467 F HN 0.374 nan 8.300 nan 0.000 0.456 468 A N 1.428 124.362 122.820 0.190 0.000 2.477 468 A HA 0.590 4.910 4.320 -0.000 0.000 0.246 468 A C 0.375 178.045 177.584 0.143 0.000 1.078 468 A CA -0.109 51.983 52.037 0.091 0.000 0.770 468 A CB -0.389 18.665 19.000 0.090 0.000 1.011 468 A HN 1.637 nan 8.150 nan 0.000 0.494 469 A N 4.527 127.366 122.820 0.032 0.000 2.537 469 A HA 0.464 4.784 4.320 -0.000 0.000 0.260 469 A C -2.028 175.620 177.584 0.105 0.000 1.082 469 A CA -0.763 51.308 52.037 0.056 0.000 0.765 469 A CB -0.886 18.115 19.000 0.002 0.000 1.019 469 A HN 0.650 nan 8.150 nan 0.000 0.507 470 P HA 0.200 nan 4.420 nan 0.000 0.268 470 P C -0.507 176.840 177.300 0.078 0.000 1.204 470 P CA 0.057 63.228 63.100 0.117 0.000 0.768 470 P CB 0.428 32.203 31.700 0.124 0.000 0.842 471 L N 5.501 126.761 121.223 0.062 0.000 2.349 471 L HA 0.305 4.645 4.340 -0.000 0.000 0.275 471 L C -1.524 175.378 176.870 0.054 0.000 1.115 471 L CA -2.022 52.844 54.840 0.043 0.000 0.820 471 L CB 0.021 42.096 42.059 0.026 0.000 1.135 471 L HN 0.303 nan 8.230 nan 0.000 0.445 472 P HA -0.126 nan 4.420 nan 0.000 0.265 472 P C -0.598 176.757 177.300 0.090 0.000 1.187 472 P CA 0.023 63.155 63.100 0.054 0.000 0.766 472 P CB 0.314 32.022 31.700 0.014 0.000 0.820 473 F N 2.352 122.289 119.950 -0.021 0.000 2.538 473 F HA 0.333 4.860 4.527 -0.000 0.000 0.371 473 F C 0.102 175.919 175.800 0.029 0.000 1.087 473 F CA 0.030 58.045 58.000 0.024 0.000 1.250 473 F CB 0.466 39.512 39.000 0.077 0.000 1.110 473 F HN 0.429 nan 8.300 nan 0.000 0.570 474 A N 6.472 128.949 122.820 -0.571 0.000 3.082 474 A HA 0.232 4.552 4.320 -0.000 0.000 0.328 474 A C -0.539 176.747 177.584 -0.497 0.000 1.089 474 A CA -0.585 51.215 52.037 -0.394 0.000 0.802 474 A CB -0.021 18.870 19.000 -0.182 0.000 1.138 474 A HN 0.785 nan 8.150 nan 0.000 0.474 475 E N 1.512 121.332 120.200 -0.632 0.000 2.229 475 E HA 0.375 4.725 4.350 -0.000 0.000 0.283 475 E C -1.265 175.275 176.600 -0.100 0.000 1.030 475 E CA -0.530 55.665 56.400 -0.342 0.000 0.836 475 E CB 0.793 30.383 29.700 -0.184 0.000 1.068 475 E HN 0.460 nan 8.360 nan 0.000 0.401 476 L N 5.665 126.842 121.223 -0.076 0.000 2.264 476 L HA 0.219 4.559 4.340 -0.000 0.000 0.289 476 L C -0.921 175.964 176.870 0.025 0.000 1.044 476 L CA -0.504 54.327 54.840 -0.015 0.000 0.807 476 L CB 1.554 43.590 42.059 -0.038 0.000 1.192 476 L HN 0.303 nan 8.230 nan 0.000 0.425 477 V N 6.449 126.398 119.914 0.058 0.000 2.364 477 V HA 0.377 4.497 4.120 -0.000 0.000 0.272 477 V C 0.332 176.477 176.094 0.085 0.000 1.036 477 V CA -0.573 61.767 62.300 0.068 0.000 0.880 477 V CB 0.956 32.823 31.823 0.072 0.000 0.991 477 V HN 0.534 nan 8.190 nan 0.000 0.460 478 L N 6.938 128.215 121.223 0.090 0.000 2.352 478 L HA 0.624 4.964 4.340 -0.000 0.000 0.269 478 L C -1.647 175.278 176.870 0.092 0.000 1.034 478 L CA -1.599 53.314 54.840 0.121 0.000 0.806 478 L CB 1.536 43.690 42.059 0.158 0.000 1.244 478 L HN 0.475 nan 8.230 nan 0.000 0.447 479 P HA 0.000 nan 4.420 nan 0.000 0.216 479 P CA 0.000 63.134 63.100 0.057 0.000 0.800 479 P CB 0.000 31.724 31.700 0.041 0.000 0.726