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 3gyr_1_F DATA FIRST_RESID 37 DATA SEQUENCE APGELTPFAA PLTVPPVLRP ASDEVTRETE IALRPTWVRL HPQLPPTLMW DATA SEQUENCE GYDGQVPGPT IEVRRGQRVR IAWTNRIPKG SEYPVTSVEV PLGPPGTPAP DATA SEQUENCE NTEPGRGGVE PNKDVAALPA WSVTHLHGAQ TGGGNDGWAD NAVGFGDAQL DATA SEQUENCE SEYPNDHQAT QWWYHDHAMN ITRWNVMAGL YGTYLVRDDE EDALGLPSGD DATA SEQUENCE REIPLLIADR NLDTDEDGRL NGRLLHKTVI VQQSNPETGK PVSIPFFGPY DATA SEQUENCE TTVNGRIWPY ADVDDGWYRL RLVNASNARI YNLVLIDEDD RPVPGVVHQI DATA SEQUENCE GSDGGLLPRP VPVDFDDTLP VLSAAPAERF DLLVDFRALG GRRLRLVDKG DATA SEQUENCE PGAPAGTPDP LGGVRYPEVM EFRVRETCEE DSFALPEVLS GSFRRMSHDI DATA SEQUENCE PHGHRLIVLT PPGTKGSGGH PEIWEMAEVE XXXXXQVPAE GVIQVTGADG DATA SEQUENCE RTKTYRRTAR TFNDGLGFTI GEGTHEQWTF LNLSPILHPM HIHLADFQVL DATA SEQUENCE GRDAYDASGF DLALGGTRTP VRLDPDTPVP LAPNELGHKD VFQVPGPQGL DATA SEQUENCE RVMGKFDGAY GRFMYHCHLL EHEDMGMMRP FVVMPPEALK FD 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.610 177.584 0.043 0.000 1.274 37 A CA 0.000 52.062 52.037 0.042 0.000 0.836 37 A CB 0.000 19.032 19.000 0.053 0.000 0.831 38 P HA 0.302 nan 4.420 nan 0.000 0.259 38 P C 1.143 178.467 177.300 0.039 0.000 1.163 38 P CA 2.452 65.570 63.100 0.031 0.000 0.760 38 P CB 0.384 32.099 31.700 0.026 0.000 0.762 39 G N 1.593 110.412 108.800 0.032 0.000 2.159 39 G HA2 -0.231 3.730 3.960 0.001 0.000 0.256 39 G HA3 -0.231 3.730 3.960 0.001 0.000 0.256 39 G C -0.021 174.904 174.900 0.042 0.000 0.977 39 G CA -0.287 44.834 45.100 0.033 0.000 0.652 39 G HN 0.572 nan 8.290 nan 0.000 0.531 40 E N -0.230 119.996 120.200 0.043 0.000 2.214 40 E HA 0.591 4.941 4.350 0.001 0.000 0.274 40 E C 0.601 177.187 176.600 -0.023 0.000 0.977 40 E CA -0.854 55.574 56.400 0.047 0.000 0.827 40 E CB 1.311 31.065 29.700 0.089 0.000 1.130 40 E HN 0.302 nan 8.360 nan 0.000 0.394 41 L N 1.632 122.804 121.223 -0.085 0.000 2.417 41 L HA 0.182 4.523 4.340 0.001 0.000 0.268 41 L C 0.433 177.295 176.870 -0.014 0.000 1.158 41 L CA -0.216 54.487 54.840 -0.228 0.000 0.819 41 L CB 0.388 42.056 42.059 -0.652 0.000 1.112 41 L HN 0.436 nan 8.230 nan 0.000 0.458 42 T N 3.822 118.421 114.554 0.075 0.000 2.737 42 T HA 0.230 4.581 4.350 0.001 0.000 0.296 42 T C -2.201 172.613 174.700 0.191 0.000 0.922 42 T CA -0.993 61.174 62.100 0.112 0.000 1.079 42 T CB 0.605 69.550 68.868 0.127 0.000 0.892 42 T HN 0.386 nan 8.240 nan 0.000 0.514 43 P HA 0.153 nan 4.420 nan 0.000 0.269 43 P C -0.006 177.069 177.300 -0.376 0.000 1.215 43 P CA -0.306 62.528 63.100 -0.444 0.000 0.780 43 P CB 0.064 30.892 31.700 -1.454 0.000 0.898 44 F N -1.767 118.354 119.950 0.285 0.000 3.058 44 F HA -0.227 4.300 4.527 0.001 0.000 0.295 44 F C 1.185 177.147 175.800 0.270 0.000 0.875 44 F CA 0.182 58.331 58.000 0.249 0.000 1.150 44 F CB -2.434 36.648 39.000 0.136 0.000 1.175 44 F HN 0.382 nan 8.300 nan 0.000 0.599 45 A N -0.574 122.406 122.820 0.267 0.000 2.169 45 A HA 0.704 5.025 4.320 0.001 0.000 0.210 45 A C 1.104 178.769 177.584 0.135 0.000 1.168 45 A CA 0.865 52.987 52.037 0.142 0.000 0.813 45 A CB 0.228 19.213 19.000 -0.025 0.000 0.861 45 A HN 0.911 nan 8.150 nan 0.000 0.481 46 A N 0.334 123.190 122.820 0.060 0.000 2.435 46 A HA 0.726 5.046 4.320 0.001 0.000 0.304 46 A C -3.147 174.145 177.584 -0.485 0.000 1.064 46 A CA -1.945 50.027 52.037 -0.109 0.000 0.727 46 A CB 1.211 20.103 19.000 -0.181 0.000 1.284 46 A HN 0.047 nan 8.150 nan 0.000 0.415 47 P HA 0.288 nan 4.420 nan 0.000 0.275 47 P C -0.243 176.786 177.300 -0.451 0.000 1.228 47 P CA -0.302 62.234 63.100 -0.941 0.000 0.786 47 P CB 0.658 32.042 31.700 -0.527 0.000 0.927 48 L N 2.958 123.952 121.223 -0.382 0.000 2.485 48 L HA 0.185 4.525 4.340 0.001 0.000 0.275 48 L C 0.446 177.242 176.870 -0.122 0.000 1.207 48 L CA 1.151 55.876 54.840 -0.191 0.000 0.855 48 L CB -0.125 41.844 42.059 -0.151 0.000 1.114 48 L HN 0.580 nan 8.230 nan 0.000 0.485 49 T N 2.216 116.726 114.554 -0.072 0.000 2.942 49 T HA 0.775 5.125 4.350 0.001 0.000 0.289 49 T C -0.380 174.314 174.700 -0.010 0.000 1.044 49 T CA -0.333 61.744 62.100 -0.037 0.000 1.023 49 T CB 1.610 70.460 68.868 -0.030 0.000 1.123 49 T HN 0.780 nan 8.240 nan 0.000 0.512 50 V N -1.665 118.253 119.914 0.008 0.000 2.604 50 V HA 0.739 4.860 4.120 0.001 0.000 0.305 50 V C -2.922 173.186 176.094 0.024 0.000 1.043 50 V CA -2.683 59.630 62.300 0.023 0.000 0.888 50 V CB 0.640 32.486 31.823 0.038 0.000 0.995 50 V HN 0.812 nan 8.190 nan 0.000 0.429 51 P HA 0.196 nan 4.420 nan 0.000 0.266 51 P C -2.538 174.788 177.300 0.044 0.000 1.186 51 P CA -0.319 62.804 63.100 0.038 0.000 0.767 51 P CB -0.395 31.334 31.700 0.048 0.000 0.820 52 P HA 0.020 nan 4.420 nan 0.000 0.272 52 P C -0.642 176.683 177.300 0.043 0.000 1.223 52 P CA 0.054 63.179 63.100 0.041 0.000 0.784 52 P CB 0.434 32.158 31.700 0.041 0.000 0.923 53 V N 3.430 123.361 119.914 0.028 0.000 2.530 53 V HA 0.128 4.249 4.120 0.001 0.000 0.282 53 V C 0.557 176.655 176.094 0.005 0.000 1.048 53 V CA -0.193 62.118 62.300 0.018 0.000 0.997 53 V CB 0.736 32.562 31.823 0.006 0.000 0.987 53 V HN 0.395 nan 8.190 nan 0.000 0.477 54 L N 6.191 127.411 121.223 -0.006 0.000 2.341 54 L HA 0.586 4.927 4.340 0.001 0.000 0.278 54 L C -0.052 176.780 176.870 -0.063 0.000 1.005 54 L CA -0.258 54.565 54.840 -0.029 0.000 0.818 54 L CB 1.527 43.571 42.059 -0.026 0.000 1.259 54 L HN 0.562 nan 8.230 nan 0.000 0.418 55 R N 5.869 126.334 120.500 -0.059 0.000 2.402 55 R HA 0.383 4.724 4.340 0.001 0.000 0.290 55 R C -1.711 174.551 176.300 -0.063 0.000 1.321 55 R CA -1.127 54.931 56.100 -0.069 0.000 1.283 55 R CB 0.897 31.167 30.300 -0.051 0.000 1.111 55 R HN 0.552 nan 8.270 nan 0.000 0.578 56 P HA 0.017 nan 4.420 nan 0.000 0.236 56 P C 0.163 177.439 177.300 -0.040 0.000 1.177 56 P CA 0.213 63.275 63.100 -0.062 0.000 0.773 56 P CB 0.361 32.018 31.700 -0.072 0.000 0.878 57 A N 1.115 123.915 122.820 -0.034 0.000 2.567 57 A HA 0.359 4.680 4.320 0.001 0.000 0.240 57 A C 0.667 178.241 177.584 -0.016 0.000 1.053 57 A CA 0.540 52.568 52.037 -0.015 0.000 0.755 57 A CB -0.386 18.606 19.000 -0.015 0.000 0.978 57 A HN 0.400 nan 8.150 nan 0.000 0.507 58 S N 0.725 116.419 115.700 -0.010 0.000 2.607 58 S HA 0.462 4.933 4.470 0.001 0.000 0.273 58 S C -0.023 174.573 174.600 -0.006 0.000 1.148 58 S CA -0.523 57.669 58.200 -0.012 0.000 0.833 58 S CB 1.458 64.648 63.200 -0.018 0.000 1.130 58 S HN 0.534 nan 8.310 nan 0.000 0.470 59 D N 1.003 121.398 120.400 -0.007 0.000 2.219 59 D HA 0.010 4.651 4.640 0.001 0.000 0.205 59 D C -0.087 176.210 176.300 -0.004 0.000 0.970 59 D CA 1.146 55.144 54.000 -0.004 0.000 0.851 59 D CB 0.103 40.900 40.800 -0.004 0.000 0.943 59 D HN 0.721 nan 8.370 nan 0.000 0.488 60 E N 0.822 121.017 120.200 -0.008 0.000 2.035 60 E HA 0.147 4.498 4.350 0.001 0.000 0.271 60 E C 0.710 177.303 176.600 -0.011 0.000 0.953 60 E CA -0.280 56.115 56.400 -0.009 0.000 0.777 60 E CB 2.643 32.336 29.700 -0.011 0.000 1.104 60 E HN -0.198 nan 8.360 nan 0.000 0.408 61 V N 3.598 123.508 119.914 -0.007 0.000 2.626 61 V HA -0.217 3.904 4.120 0.001 0.000 0.252 61 V C 2.056 178.139 176.094 -0.018 0.000 1.067 61 V CA 2.580 64.876 62.300 -0.008 0.000 1.081 61 V CB -0.350 31.473 31.823 0.001 0.000 0.686 61 V HN 0.871 nan 8.190 nan 0.000 0.468 62 T N -1.675 112.868 114.554 -0.018 0.000 3.072 62 T HA -0.102 4.249 4.350 0.001 0.000 0.266 62 T C 1.229 175.911 174.700 -0.030 0.000 1.127 62 T CA 0.302 62.388 62.100 -0.024 0.000 1.107 62 T CB -0.431 68.426 68.868 -0.019 0.000 0.910 62 T HN 0.503 nan 8.240 nan 0.000 0.513 63 R N 1.912 122.394 120.500 -0.029 0.000 2.220 63 R HA 0.234 4.574 4.340 0.001 0.000 0.340 63 R C -0.625 175.646 176.300 -0.048 0.000 1.076 63 R CA -0.292 55.787 56.100 -0.036 0.000 0.920 63 R CB 0.255 30.537 30.300 -0.030 0.000 1.062 63 R HN 0.464 nan 8.270 nan 0.000 0.469 64 E N 1.777 121.940 120.200 -0.061 0.000 2.373 64 E HA 0.069 4.420 4.350 0.001 0.000 0.263 64 E C -0.470 176.073 176.600 -0.095 0.000 1.073 64 E CA -0.041 56.307 56.400 -0.086 0.000 0.894 64 E CB 1.055 30.694 29.700 -0.103 0.000 1.008 64 E HN 0.434 nan 8.360 nan 0.000 0.420 65 T N 2.054 116.532 114.554 -0.126 0.000 2.743 65 T HA 0.073 4.424 4.350 0.001 0.000 0.293 65 T C -0.125 174.461 174.700 -0.190 0.000 0.945 65 T CA -0.345 61.671 62.100 -0.140 0.000 1.030 65 T CB 0.533 69.311 68.868 -0.150 0.000 0.912 65 T HN 0.377 nan 8.240 nan 0.000 0.483 66 E N 3.878 123.995 120.200 -0.138 0.000 2.223 66 E HA 0.254 4.605 4.350 0.001 0.000 0.282 66 E C -0.743 175.776 176.600 -0.134 0.000 1.046 66 E CA -0.348 55.974 56.400 -0.131 0.000 0.857 66 E CB 0.414 30.070 29.700 -0.073 0.000 1.055 66 E HN 0.557 nan 8.360 nan 0.000 0.409 67 I N 4.373 124.841 120.570 -0.171 0.000 2.390 67 I HA 0.322 4.493 4.170 0.001 0.000 0.283 67 I C -0.246 175.942 176.117 0.119 0.000 1.016 67 I CA -0.645 60.619 61.300 -0.060 0.000 1.151 67 I CB 1.444 39.305 38.000 -0.232 0.000 1.293 67 I HN 0.504 nan 8.210 nan 0.000 0.458 68 A N 7.365 130.255 122.820 0.116 0.000 2.301 68 A HA 0.699 5.019 4.320 0.001 0.000 0.298 68 A C -0.617 177.051 177.584 0.139 0.000 1.185 68 A CA -0.461 51.641 52.037 0.107 0.000 0.830 68 A CB 0.500 19.531 19.000 0.051 0.000 1.112 68 A HN 0.579 nan 8.150 nan 0.000 0.508 69 L N 3.356 124.638 121.223 0.098 0.000 2.290 69 L HA 0.470 4.811 4.340 0.001 0.000 0.284 69 L C 0.708 177.538 176.870 -0.067 0.000 1.078 69 L CA 0.794 55.628 54.840 -0.010 0.000 0.815 69 L CB 0.533 42.530 42.059 -0.103 0.000 1.162 69 L HN 0.777 nan 8.230 nan 0.000 0.435 70 R N 3.239 123.703 120.500 -0.060 0.000 2.771 70 R HA 0.603 4.944 4.340 0.001 0.000 0.274 70 R C -2.719 173.555 176.300 -0.044 0.000 0.987 70 R CA -2.080 53.987 56.100 -0.054 0.000 0.908 70 R CB 1.213 31.527 30.300 0.023 0.000 1.213 70 R HN 0.236 nan 8.270 nan 0.000 0.468 71 P HA 0.108 nan 4.420 nan 0.000 0.271 71 P C -0.646 176.679 177.300 0.040 0.000 1.216 71 P CA -0.030 63.123 63.100 0.088 0.000 0.776 71 P CB 1.056 32.810 31.700 0.089 0.000 0.881 72 T N 1.850 116.376 114.554 -0.047 0.000 2.894 72 T HA 0.559 4.909 4.350 0.001 0.000 0.309 72 T C -2.012 172.563 174.700 -0.208 0.000 1.208 72 T CA -0.553 61.537 62.100 -0.017 0.000 1.016 72 T CB 0.472 69.365 68.868 0.042 0.000 1.192 72 T HN 0.132 nan 8.240 nan 0.000 0.491 73 W N 3.446 124.767 121.300 0.035 0.000 2.429 73 W HA 0.628 5.288 4.660 0.001 0.000 0.314 73 W C -0.140 176.383 176.519 0.007 0.000 1.062 73 W CA -0.573 56.781 57.345 0.015 0.000 1.211 73 W CB 1.503 30.969 29.460 0.010 0.000 1.305 73 W HN 0.527 nan 8.180 nan 0.000 0.476 74 V N 2.983 122.999 119.914 0.170 0.000 2.769 74 V HA 0.679 4.800 4.120 0.001 0.000 0.312 74 V C -0.814 175.337 176.094 0.095 0.000 1.061 74 V CA -1.452 60.908 62.300 0.100 0.000 0.931 74 V CB 2.005 33.849 31.823 0.034 0.000 1.010 74 V HN 0.475 nan 8.190 nan 0.000 0.433 75 R N 4.013 124.550 120.500 0.062 0.000 2.391 75 R HA 0.542 4.883 4.340 0.001 0.000 0.310 75 R C 0.680 176.985 176.300 0.008 0.000 1.174 75 R CA -0.205 55.919 56.100 0.040 0.000 1.118 75 R CB -0.157 30.157 30.300 0.024 0.000 1.134 75 R HN 0.962 nan 8.270 nan 0.000 0.524 76 L N 1.308 122.532 121.223 0.000 0.000 2.127 76 L HA -0.105 4.236 4.340 0.001 0.000 0.211 76 L C 0.834 177.703 176.870 -0.001 0.000 1.089 76 L CA 1.226 56.049 54.840 -0.027 0.000 0.757 76 L CB -0.278 41.737 42.059 -0.073 0.000 0.899 76 L HN 0.605 nan 8.230 nan 0.000 0.434 77 H N -2.417 116.589 119.070 -0.107 0.000 3.112 77 H HA 0.136 4.693 4.556 0.002 0.000 0.347 77 H C -2.259 173.032 175.328 -0.061 0.000 1.188 77 H CA -1.168 54.819 56.048 -0.102 0.000 1.240 77 H CB 2.264 31.922 29.762 -0.173 0.000 1.920 77 H HN -0.324 nan 8.280 nan 0.000 0.535 78 P HA -0.129 nan 4.420 nan 0.000 0.217 78 P C 0.663 178.026 177.300 0.105 0.000 1.148 78 P CA 1.463 64.539 63.100 -0.040 0.000 0.828 78 P CB 0.285 31.916 31.700 -0.116 0.000 0.783 79 Q N -1.475 118.526 119.800 0.334 0.000 2.365 79 Q HA 0.163 4.504 4.340 0.001 0.000 0.203 79 Q C 0.341 176.376 176.000 0.058 0.000 0.929 79 Q CA 0.011 55.916 55.803 0.170 0.000 0.948 79 Q CB 0.001 28.820 28.738 0.135 0.000 1.043 79 Q HN 0.313 nan 8.270 nan 0.000 0.505 80 L N 1.608 122.866 121.223 0.059 0.000 2.330 80 L HA 0.509 4.849 4.340 0.001 0.000 0.271 80 L C -2.131 174.745 176.870 0.011 0.000 1.013 80 L CA -2.446 52.390 54.840 -0.006 0.000 0.816 80 L CB 1.221 43.252 42.059 -0.045 0.000 1.287 80 L HN -0.078 nan 8.230 nan 0.000 0.435 81 P HA 0.241 nan 4.420 nan 0.000 0.274 81 P C -2.712 174.624 177.300 0.061 0.000 1.256 81 P CA -1.556 61.556 63.100 0.021 0.000 0.795 81 P CB -0.386 31.324 31.700 0.018 0.000 1.038 82 P HA 0.134 nan 4.420 nan 0.000 0.269 82 P C -0.378 177.151 177.300 0.382 0.000 1.209 82 P CA 0.509 63.734 63.100 0.208 0.000 0.776 82 P CB -0.027 31.789 31.700 0.193 0.000 0.876 83 T N 3.067 117.797 114.554 0.293 0.000 2.794 83 T HA 0.357 4.708 4.350 0.001 0.000 0.280 83 T C -0.201 174.398 174.700 -0.168 0.000 0.987 83 T CA -0.455 61.713 62.100 0.114 0.000 0.993 83 T CB 0.499 69.363 68.868 -0.007 0.000 0.939 83 T HN 0.183 nan 8.240 nan 0.000 0.449 84 L N 4.910 125.785 121.223 -0.580 0.000 2.360 84 L HA 0.550 4.891 4.340 0.001 0.000 0.276 84 L C -0.531 175.974 176.870 -0.608 0.000 1.121 84 L CA 0.675 54.849 54.840 -1.111 0.000 0.845 84 L CB -0.255 41.111 42.059 -1.154 0.000 1.143 84 L HN 0.655 nan 8.230 nan 0.000 0.452 85 M N 3.534 122.832 119.600 -0.503 0.000 2.664 85 M HA 0.359 4.840 4.480 0.001 0.000 0.279 85 M C -1.624 174.621 176.300 -0.092 0.000 1.275 85 M CA -0.606 54.507 55.300 -0.312 0.000 0.829 85 M CB 2.309 34.811 32.600 -0.162 0.000 1.727 85 M HN 0.422 nan 8.290 nan 0.000 0.459 86 W N 0.611 121.783 121.300 -0.213 0.000 2.529 86 W HA 0.720 5.381 4.660 0.001 0.000 0.321 86 W C -0.034 176.390 176.519 -0.158 0.000 1.047 86 W CA -1.101 56.137 57.345 -0.179 0.000 1.216 86 W CB 1.447 30.801 29.460 -0.177 0.000 1.357 86 W HN 0.668 nan 8.180 nan 0.000 0.489 87 G N 1.929 110.772 108.800 0.072 0.000 2.591 87 G HA2 0.541 4.502 3.960 0.001 0.000 0.306 87 G HA3 0.541 4.502 3.960 0.001 0.000 0.306 87 G C -2.033 172.882 174.900 0.026 0.000 1.334 87 G CA -0.731 44.386 45.100 0.027 0.000 0.981 87 G HN 0.191 nan 8.290 nan 0.000 0.491 88 Y N 1.220 121.628 120.300 0.181 0.000 2.544 88 Y HA 0.134 4.685 4.550 0.001 0.000 0.330 88 Y C 0.937 176.935 175.900 0.163 0.000 1.136 88 Y CA 0.544 58.785 58.100 0.235 0.000 1.417 88 Y CB 0.688 39.393 38.460 0.408 0.000 1.229 88 Y HN 0.628 nan 8.280 nan 0.000 0.532 89 D N 2.306 122.867 120.400 0.269 0.000 2.811 89 D HA -0.201 4.439 4.640 0.001 0.000 0.231 89 D C 1.290 177.665 176.300 0.124 0.000 1.157 89 D CA 1.752 55.847 54.000 0.160 0.000 0.716 89 D CB -1.239 39.647 40.800 0.143 0.000 1.077 89 D HN 1.075 nan 8.370 nan 0.000 0.428 90 G N -1.151 107.717 108.800 0.113 0.000 2.168 90 G HA2 -0.344 3.617 3.960 0.001 0.000 0.257 90 G HA3 -0.344 3.617 3.960 0.001 0.000 0.257 90 G C 0.027 174.979 174.900 0.086 0.000 0.997 90 G CA 0.478 45.631 45.100 0.087 0.000 0.708 90 G HN 0.386 nan 8.290 nan 0.000 0.520 91 Q N -0.525 119.339 119.800 0.106 0.000 2.312 91 Q HA 0.674 5.015 4.340 0.001 0.000 0.263 91 Q C -0.322 175.710 176.000 0.054 0.000 0.995 91 Q CA -0.645 55.208 55.803 0.082 0.000 0.853 91 Q CB 2.492 31.293 28.738 0.104 0.000 1.300 91 Q HN 0.326 nan 8.270 nan 0.000 0.448 92 V N 4.023 123.936 119.914 -0.002 0.000 2.409 92 V HA 0.335 4.456 4.120 0.001 0.000 0.290 92 V C -2.199 173.819 176.094 -0.127 0.000 1.017 92 V CA -1.764 60.481 62.300 -0.092 0.000 0.841 92 V CB 1.742 33.530 31.823 -0.058 0.000 1.003 92 V HN 0.602 nan 8.190 nan 0.000 0.426 93 P HA 0.176 nan 4.420 nan 0.000 0.269 93 P C 0.591 177.822 177.300 -0.116 0.000 1.217 93 P CA 0.282 63.127 63.100 -0.425 0.000 0.783 93 P CB 0.510 32.012 31.700 -0.330 0.000 0.898 94 G N 2.033 110.831 108.800 -0.003 0.000 2.699 94 G HA2 0.251 4.212 3.960 0.001 0.000 0.246 94 G HA3 0.251 4.212 3.960 0.001 0.000 0.246 94 G C -2.368 172.672 174.900 0.234 0.000 1.219 94 G CA -0.796 44.468 45.100 0.275 0.000 0.866 94 G HN 0.359 nan 8.290 nan 0.000 0.572 95 P HA 0.127 nan 4.420 nan 0.000 0.269 95 P C 0.025 177.472 177.300 0.244 0.000 1.215 95 P CA -0.012 63.206 63.100 0.197 0.000 0.780 95 P CB 0.435 32.222 31.700 0.146 0.000 0.898 96 T N 3.536 118.181 114.554 0.152 0.000 2.738 96 T HA 0.262 4.613 4.350 0.001 0.000 0.293 96 T C 0.717 175.465 174.700 0.080 0.000 0.913 96 T CA 0.098 62.283 62.100 0.142 0.000 1.103 96 T CB -0.672 68.246 68.868 0.082 0.000 0.880 96 T HN 0.187 nan 8.240 nan 0.000 0.526 97 I N 3.279 123.896 120.570 0.079 0.000 2.472 97 I HA 0.294 4.464 4.170 0.001 0.000 0.290 97 I C 0.702 176.657 176.117 -0.270 0.000 1.016 97 I CA -0.192 61.023 61.300 -0.141 0.000 1.348 97 I CB 0.931 38.782 38.000 -0.248 0.000 1.417 97 I HN 0.544 nan 8.210 nan 0.000 0.521 98 E N 5.820 125.864 120.200 -0.260 0.000 2.256 98 E HA 0.646 4.996 4.350 0.001 0.000 0.268 98 E C -1.522 174.935 176.600 -0.237 0.000 0.877 98 E CA -0.655 55.604 56.400 -0.234 0.000 0.757 98 E CB 2.134 31.762 29.700 -0.121 0.000 1.183 98 E HN 0.436 nan 8.360 nan 0.000 0.418 99 V N 0.679 120.452 119.914 -0.236 0.000 3.159 99 V HA 0.678 4.798 4.120 0.001 0.000 0.308 99 V C -0.799 175.241 176.094 -0.089 0.000 1.190 99 V CA -1.154 61.060 62.300 -0.143 0.000 1.037 99 V CB 1.941 33.691 31.823 -0.122 0.000 1.060 99 V HN 0.625 nan 8.190 nan 0.000 0.437 100 R N 0.813 121.287 120.500 -0.043 0.000 2.540 100 R HA 0.530 4.870 4.340 0.001 0.000 0.287 100 R C 0.021 176.320 176.300 -0.001 0.000 0.980 100 R CA -0.905 55.178 56.100 -0.029 0.000 0.966 100 R CB 1.604 31.892 30.300 -0.019 0.000 1.106 100 R HN 0.887 nan 8.270 nan 0.000 0.480 101 R N 0.611 121.110 120.500 -0.003 0.000 2.500 101 R HA -0.139 4.202 4.340 0.001 0.000 0.281 101 R C 0.680 177.006 176.300 0.042 0.000 0.953 101 R CA 1.829 57.945 56.100 0.026 0.000 1.108 101 R CB -0.095 30.212 30.300 0.011 0.000 0.901 101 R HN 0.934 nan 8.270 nan 0.000 0.410 102 G N 2.647 111.491 108.800 0.073 0.000 2.253 102 G HA2 -0.321 3.640 3.960 0.001 0.000 0.251 102 G HA3 -0.321 3.640 3.960 0.001 0.000 0.251 102 G C -0.163 174.777 174.900 0.065 0.000 0.998 102 G CA 0.294 45.434 45.100 0.066 0.000 0.621 102 G HN 0.650 nan 8.290 nan 0.000 0.524 103 Q N 0.884 120.722 119.800 0.063 0.000 2.324 103 Q HA 0.346 4.687 4.340 0.001 0.000 0.257 103 Q C 0.617 176.672 176.000 0.092 0.000 1.080 103 Q CA -0.246 55.592 55.803 0.058 0.000 0.907 103 Q CB 0.695 29.454 28.738 0.035 0.000 1.274 103 Q HN 0.451 nan 8.270 nan 0.000 0.434 104 R N 2.436 122.985 120.500 0.081 0.000 2.347 104 R HA 0.345 4.685 4.340 0.001 0.000 0.304 104 R C -1.149 175.204 176.300 0.087 0.000 1.072 104 R CA -0.143 56.015 56.100 0.097 0.000 0.980 104 R CB 0.635 30.977 30.300 0.070 0.000 0.986 104 R HN 0.355 nan 8.270 nan 0.000 0.448 105 V N 5.476 125.466 119.914 0.127 0.000 2.709 105 V HA 0.483 4.604 4.120 0.001 0.000 0.308 105 V C -0.545 175.584 176.094 0.058 0.000 1.062 105 V CA -0.806 61.563 62.300 0.115 0.000 0.901 105 V CB 2.190 34.135 31.823 0.204 0.000 1.003 105 V HN 0.811 nan 8.190 nan 0.000 0.425 106 R N 4.549 125.039 120.500 -0.017 0.000 2.534 106 R HA 0.748 5.089 4.340 0.001 0.000 0.301 106 R C -1.414 174.797 176.300 -0.148 0.000 0.961 106 R CA -0.569 55.469 56.100 -0.102 0.000 0.871 106 R CB 2.319 32.566 30.300 -0.088 0.000 1.170 106 R HN 0.566 nan 8.270 nan 0.000 0.446 107 I N 1.478 121.898 120.570 -0.249 0.000 2.582 107 I HA 0.399 4.570 4.170 0.001 0.000 0.292 107 I C -0.426 175.420 176.117 -0.452 0.000 1.066 107 I CA -0.845 60.205 61.300 -0.417 0.000 1.053 107 I CB 2.296 39.912 38.000 -0.640 0.000 1.241 107 I HN 0.637 nan 8.210 nan 0.000 0.421 108 A N 6.225 128.812 122.820 -0.389 0.000 2.444 108 A HA 0.429 4.750 4.320 0.001 0.000 0.332 108 A C -1.365 176.088 177.584 -0.219 0.000 1.430 108 A CA -0.355 51.545 52.037 -0.228 0.000 0.975 108 A CB -0.251 18.672 19.000 -0.128 0.000 1.147 108 A HN 0.691 nan 8.150 nan 0.000 0.524 109 W N 2.351 123.657 121.300 0.010 0.000 2.605 109 W HA 0.370 5.031 4.660 0.002 0.000 0.327 109 W C 0.058 176.600 176.519 0.039 0.000 1.332 109 W CA 0.125 57.506 57.345 0.059 0.000 1.403 109 W CB 0.637 30.151 29.460 0.090 0.000 1.452 109 W HN 0.481 nan 8.180 nan 0.000 0.503 110 T N 3.727 118.404 114.554 0.204 0.000 2.809 110 T HA 0.051 4.402 4.350 0.001 0.000 0.296 110 T C -0.152 174.577 174.700 0.048 0.000 1.015 110 T CA -0.846 61.299 62.100 0.075 0.000 0.954 110 T CB 0.398 69.272 68.868 0.009 0.000 0.950 110 T HN 0.168 nan 8.240 nan 0.000 0.450 111 N N 3.069 121.775 118.700 0.010 0.000 2.416 111 N HA 0.032 4.773 4.740 0.001 0.000 0.271 111 N C 0.608 176.082 175.510 -0.060 0.000 1.245 111 N CA -0.092 52.945 53.050 -0.022 0.000 0.940 111 N CB 0.351 38.835 38.487 -0.005 0.000 1.175 111 N HN 0.446 nan 8.380 nan 0.000 0.483 112 R N 3.470 123.966 120.500 -0.008 0.000 2.586 112 R HA 0.246 4.587 4.340 0.001 0.000 0.336 112 R C -0.105 176.316 176.300 0.202 0.000 1.060 112 R CA -0.366 55.791 56.100 0.095 0.000 1.079 112 R CB 0.225 30.559 30.300 0.056 0.000 1.317 112 R HN 0.501 nan 8.270 nan 0.000 0.568 113 I N 3.719 124.321 120.570 0.054 0.000 2.347 113 I HA 0.111 4.281 4.170 0.001 0.000 0.294 113 I C -2.049 174.035 176.117 -0.054 0.000 1.090 113 I CA -1.910 59.299 61.300 -0.150 0.000 1.314 113 I CB 0.466 38.057 38.000 -0.682 0.000 1.423 113 I HN -0.289 nan 8.210 nan 0.000 0.503 114 P HA -0.048 nan 4.420 nan 0.000 0.263 114 P C -0.458 176.578 177.300 -0.440 0.000 1.175 114 P CA -0.086 62.622 63.100 -0.653 0.000 0.761 114 P CB 0.375 31.858 31.700 -0.361 0.000 0.794 115 K N 2.174 122.244 120.400 -0.549 0.000 2.527 115 K HA 0.187 4.508 4.320 0.001 0.000 0.278 115 K C 1.552 178.072 176.600 -0.132 0.000 0.981 115 K CA 1.752 57.906 56.287 -0.222 0.000 1.009 115 K CB -0.486 31.907 32.500 -0.179 0.000 0.895 115 K HN 0.796 nan 8.250 nan 0.000 0.493 116 G N 1.463 110.240 108.800 -0.038 0.000 2.199 116 G HA2 -0.293 3.668 3.960 0.001 0.000 0.254 116 G HA3 -0.293 3.668 3.960 0.001 0.000 0.254 116 G C 0.099 175.020 174.900 0.036 0.000 0.982 116 G CA 0.196 45.294 45.100 -0.004 0.000 0.632 116 G HN 0.585 nan 8.290 nan 0.000 0.529 117 S N 0.944 116.674 115.700 0.049 0.000 2.573 117 S HA 0.226 4.696 4.470 0.001 0.000 0.297 117 S C 0.574 175.287 174.600 0.188 0.000 1.280 117 S CA 0.213 58.490 58.200 0.128 0.000 1.061 117 S CB 0.976 64.279 63.200 0.173 0.000 0.812 117 S HN 0.498 nan 8.310 nan 0.000 0.500 118 E N 1.589 121.881 120.200 0.152 0.000 2.376 118 E HA -0.018 4.333 4.350 0.001 0.000 0.266 118 E C -0.801 175.862 176.600 0.105 0.000 1.009 118 E CA -0.141 56.326 56.400 0.112 0.000 0.902 118 E CB 0.346 30.080 29.700 0.057 0.000 0.972 118 E HN 0.558 nan 8.360 nan 0.000 0.439 119 Y N 6.268 126.544 120.300 -0.041 0.000 2.544 119 Y HA 0.084 4.634 4.550 0.001 0.000 0.330 119 Y C -1.818 173.853 175.900 -0.381 0.000 1.136 119 Y CA -1.699 56.265 58.100 -0.228 0.000 1.417 119 Y CB 0.998 39.338 38.460 -0.199 0.000 1.229 119 Y HN 0.530 nan 8.280 nan 0.000 0.532 120 P HA -0.036 nan 4.420 nan 0.000 0.227 120 P C -0.775 176.182 177.300 -0.571 0.000 1.161 120 P CA 0.870 63.456 63.100 -0.856 0.000 0.788 120 P CB 0.312 31.350 31.700 -1.104 0.000 0.822 121 V N 0.141 119.706 119.914 -0.583 0.000 2.398 121 V HA 0.220 4.341 4.120 0.001 0.000 0.286 121 V C 0.241 176.286 176.094 -0.081 0.000 1.026 121 V CA -0.378 61.784 62.300 -0.230 0.000 0.868 121 V CB 1.407 33.164 31.823 -0.109 0.000 0.982 121 V HN -0.108 nan 8.190 nan 0.000 0.443 122 T N 3.676 118.198 114.554 -0.053 0.000 2.817 122 T HA 0.287 4.638 4.350 0.001 0.000 0.293 122 T C 0.161 174.875 174.700 0.024 0.000 0.964 122 T CA 0.062 62.144 62.100 -0.030 0.000 1.085 122 T CB 1.106 69.972 68.868 -0.003 0.000 0.921 122 T HN 0.672 nan 8.240 nan 0.000 0.502 123 S N 2.874 118.551 115.700 -0.037 0.000 2.478 123 S HA 0.692 5.163 4.470 0.001 0.000 0.312 123 S C -0.384 174.280 174.600 0.107 0.000 1.094 123 S CA -0.723 57.533 58.200 0.093 0.000 1.081 123 S CB 0.214 63.348 63.200 -0.111 0.000 1.007 123 S HN 0.660 nan 8.310 nan 0.000 0.475 124 V N 2.209 122.234 119.914 0.185 0.000 2.962 124 V HA 0.757 4.877 4.120 0.001 0.000 0.313 124 V C -1.002 175.193 176.094 0.168 0.000 1.099 124 V CA -0.922 61.462 62.300 0.139 0.000 0.971 124 V CB 1.944 33.826 31.823 0.099 0.000 1.028 124 V HN 0.835 nan 8.190 nan 0.000 0.430 125 E N 2.081 122.359 120.200 0.131 0.000 2.176 125 E HA 0.639 4.990 4.350 0.001 0.000 0.267 125 E C -0.894 175.756 176.600 0.082 0.000 0.893 125 E CA -0.727 55.744 56.400 0.118 0.000 0.761 125 E CB 2.531 32.305 29.700 0.123 0.000 1.133 125 E HN 0.946 nan 8.360 nan 0.000 0.409 126 V N 0.080 120.036 119.914 0.070 0.000 2.815 126 V HA 0.640 4.760 4.120 0.001 0.000 0.314 126 V C -2.748 173.371 176.094 0.042 0.000 1.064 126 V CA -2.887 59.444 62.300 0.051 0.000 0.952 126 V CB 1.540 33.390 31.823 0.045 0.000 1.020 126 V HN 0.409 nan 8.190 nan 0.000 0.439 127 P HA 0.309 nan 4.420 nan 0.000 0.272 127 P C 1.161 178.472 177.300 0.019 0.000 1.240 127 P CA -0.342 62.774 63.100 0.026 0.000 0.791 127 P CB 0.705 32.417 31.700 0.021 0.000 0.978 128 L N 0.480 121.711 121.223 0.015 0.000 1.997 128 L HA -0.179 4.161 4.340 0.001 0.000 0.216 128 L C 1.197 178.066 176.870 -0.002 0.000 1.074 128 L CA 2.119 56.962 54.840 0.006 0.000 0.763 128 L CB -1.202 40.860 42.059 0.004 0.000 0.890 128 L HN 0.802 nan 8.230 nan 0.000 0.434 129 G N -1.177 107.622 108.800 -0.001 0.000 2.785 129 G HA2 -0.187 3.773 3.960 0.001 0.000 0.685 129 G HA3 -0.187 3.773 3.960 0.001 0.000 0.685 129 G C -2.493 172.399 174.900 -0.012 0.000 1.480 129 G CA -0.784 44.312 45.100 -0.007 0.000 0.915 129 G HN 0.170 nan 8.290 nan 0.000 0.576 130 P HA 0.341 nan 4.420 nan 0.000 0.268 130 P C -2.059 175.228 177.300 -0.020 0.000 1.205 130 P CA -0.786 62.305 63.100 -0.015 0.000 0.771 130 P CB 0.137 31.828 31.700 -0.015 0.000 0.858 131 P HA 0.087 nan 4.420 nan 0.000 0.269 131 P C 0.936 178.219 177.300 -0.027 0.000 1.215 131 P CA 0.530 63.617 63.100 -0.023 0.000 0.780 131 P CB 0.202 31.891 31.700 -0.018 0.000 0.898 132 G N 0.493 109.273 108.800 -0.033 0.000 2.180 132 G HA2 -0.223 3.738 3.960 0.001 0.000 0.263 132 G HA3 -0.223 3.738 3.960 0.001 0.000 0.263 132 G C 0.269 175.144 174.900 -0.042 0.000 0.989 132 G CA 0.776 45.854 45.100 -0.037 0.000 0.692 132 G HN 0.906 nan 8.290 nan 0.000 0.526 133 T N -2.031 112.497 114.554 -0.043 0.000 2.918 133 T HA 0.673 5.024 4.350 0.001 0.000 0.286 133 T C -2.623 172.040 174.700 -0.061 0.000 1.026 133 T CA -1.918 60.153 62.100 -0.048 0.000 1.031 133 T CB 2.612 71.456 68.868 -0.039 0.000 1.046 133 T HN -0.010 nan 8.240 nan 0.000 0.479 134 P HA 0.298 nan 4.420 nan 0.000 0.262 134 P C -0.035 177.217 177.300 -0.080 0.000 1.182 134 P CA -0.062 62.984 63.100 -0.091 0.000 0.761 134 P CB -0.087 31.550 31.700 -0.105 0.000 0.795 135 A N 6.735 129.502 122.820 -0.089 0.000 2.555 135 A HA 0.083 4.404 4.320 0.001 0.000 0.233 135 A C -1.066 176.479 177.584 -0.066 0.000 1.060 135 A CA -0.497 51.495 52.037 -0.074 0.000 0.759 135 A CB -0.846 18.100 19.000 -0.089 0.000 0.995 135 A HN 0.450 nan 8.150 nan 0.000 0.506 136 P HA -0.141 nan 4.420 nan 0.000 0.223 136 P C 0.661 177.941 177.300 -0.033 0.000 1.144 136 P CA 1.429 64.513 63.100 -0.026 0.000 0.783 136 P CB -0.128 31.569 31.700 -0.004 0.000 0.771 137 N N -1.972 116.695 118.700 -0.054 0.000 2.521 137 N HA -0.038 4.703 4.740 0.001 0.000 0.188 137 N C 0.964 176.404 175.510 -0.117 0.000 1.146 137 N CA 0.916 53.918 53.050 -0.081 0.000 0.893 137 N CB -1.665 36.762 38.487 -0.100 0.000 0.975 137 N HN -0.034 nan 8.380 nan 0.000 0.451 138 T N -0.278 114.207 114.554 -0.115 0.000 3.088 138 T HA 0.086 4.436 4.350 0.001 0.000 0.259 138 T C -0.132 174.492 174.700 -0.126 0.000 1.122 138 T CA 0.457 62.467 62.100 -0.151 0.000 1.095 138 T CB 0.049 68.824 68.868 -0.155 0.000 0.930 138 T HN 0.400 nan 8.240 nan 0.000 0.508 139 E N 1.373 121.540 120.200 -0.055 0.000 2.288 139 E HA 0.353 4.704 4.350 0.001 0.000 0.268 139 E C -2.651 173.994 176.600 0.074 0.000 0.885 139 E CA -2.537 53.868 56.400 0.007 0.000 0.767 139 E CB 2.060 31.767 29.700 0.012 0.000 1.220 139 E HN 0.027 nan 8.360 nan 0.000 0.427 140 P HA 0.248 nan 4.420 nan 0.000 0.274 140 P C 0.098 177.474 177.300 0.126 0.000 1.256 140 P CA 0.164 63.386 63.100 0.205 0.000 0.795 140 P CB 0.540 32.411 31.700 0.285 0.000 1.038 141 G N 0.347 109.217 108.800 0.116 0.000 2.707 141 G HA2 -0.204 3.756 3.960 0.001 0.000 0.686 141 G HA3 -0.204 3.756 3.960 0.001 0.000 0.686 141 G C 0.257 175.202 174.900 0.075 0.000 1.315 141 G CA -0.441 44.708 45.100 0.082 0.000 0.832 141 G HN 0.503 nan 8.290 nan 0.000 0.573 142 R N 0.795 121.332 120.500 0.061 0.000 2.297 142 R HA 0.399 4.740 4.340 0.001 0.000 0.197 142 R C 2.184 178.512 176.300 0.047 0.000 0.943 142 R CA 1.515 57.650 56.100 0.057 0.000 1.038 142 R CB -0.117 30.213 30.300 0.050 0.000 0.957 142 R HN 2.117 nan 8.270 nan 0.000 0.484 143 G N 0.203 109.028 108.800 0.042 0.000 2.611 143 G HA2 -0.397 3.564 3.960 0.001 0.000 0.301 143 G HA3 -0.397 3.564 3.960 0.001 0.000 0.301 143 G C 0.922 175.839 174.900 0.029 0.000 1.233 143 G CA 0.065 45.184 45.100 0.033 0.000 0.993 143 G HN 0.406 nan 8.290 nan 0.000 0.553 144 G N -0.579 108.237 108.800 0.026 0.000 2.511 144 G HA2 0.350 4.311 3.960 0.001 0.000 0.217 144 G HA3 0.350 4.311 3.960 0.001 0.000 0.217 144 G C 0.867 175.781 174.900 0.024 0.000 1.133 144 G CA 1.323 46.437 45.100 0.023 0.000 0.792 144 G HN 1.178 nan 8.290 nan 0.000 0.539 145 V N 1.489 121.421 119.914 0.030 0.000 2.715 145 V HA 0.136 4.257 4.120 0.001 0.000 0.299 145 V C 0.227 176.338 176.094 0.028 0.000 1.054 145 V CA -0.828 61.490 62.300 0.031 0.000 1.077 145 V CB 1.508 33.355 31.823 0.039 0.000 0.972 145 V HN 0.214 nan 8.190 nan 0.000 0.484 146 E N 4.300 124.513 120.200 0.022 0.000 2.384 146 E HA 0.186 4.537 4.350 0.001 0.000 0.266 146 E C -2.266 174.341 176.600 0.012 0.000 1.012 146 E CA -1.741 54.667 56.400 0.014 0.000 0.901 146 E CB 0.425 30.130 29.700 0.008 0.000 0.967 146 E HN 0.454 nan 8.360 nan 0.000 0.435 147 P HA -0.102 nan 4.420 nan 0.000 0.264 147 P C 0.051 177.331 177.300 -0.032 0.000 1.183 147 P CA 0.157 63.250 63.100 -0.012 0.000 0.763 147 P CB 0.339 32.026 31.700 -0.022 0.000 0.807 148 N N 3.089 121.759 118.700 -0.051 0.000 2.438 148 N HA -0.047 4.694 4.740 0.001 0.000 0.267 148 N C 0.831 176.262 175.510 -0.131 0.000 1.222 148 N CA 0.425 53.426 53.050 -0.081 0.000 0.930 148 N CB 0.370 38.801 38.487 -0.093 0.000 1.083 148 N HN 0.257 nan 8.380 nan 0.000 0.476 149 K N 2.406 122.747 120.400 -0.098 0.000 2.155 149 K HA -0.066 4.254 4.320 0.001 0.000 0.203 149 K C 0.655 177.172 176.600 -0.137 0.000 1.052 149 K CA 0.905 57.132 56.287 -0.099 0.000 0.948 149 K CB 0.305 32.768 32.500 -0.063 0.000 0.728 149 K HN 0.536 nan 8.250 nan 0.000 0.448 150 D N 0.161 120.470 120.400 -0.151 0.000 2.117 150 D HA -0.141 4.500 4.640 0.001 0.000 0.197 150 D C 1.843 177.957 176.300 -0.310 0.000 0.987 150 D CA 1.012 54.903 54.000 -0.182 0.000 0.829 150 D CB -0.146 40.572 40.800 -0.137 0.000 0.961 150 D HN -0.042 nan 8.370 nan 0.000 0.460 151 V N 1.451 121.094 119.914 -0.452 0.000 2.358 151 V HA -0.178 3.943 4.120 0.001 0.000 0.246 151 V C 2.494 178.243 176.094 -0.574 0.000 1.047 151 V CA 1.621 63.473 62.300 -0.747 0.000 1.035 151 V CB -0.729 30.439 31.823 -1.091 0.000 0.658 151 V HN 0.173 nan 8.190 nan 0.000 0.452 152 A N -0.181 122.443 122.820 -0.327 0.000 2.070 152 A HA 0.016 4.337 4.320 0.001 0.000 0.220 152 A C 2.199 179.704 177.584 -0.131 0.000 1.159 152 A CA 1.699 53.633 52.037 -0.171 0.000 0.656 152 A CB -0.433 18.506 19.000 -0.101 0.000 0.800 152 A HN 0.575 nan 8.150 nan 0.000 0.453 153 A N -0.825 121.890 122.820 -0.176 0.000 2.238 153 A HA 0.437 4.758 4.320 0.001 0.000 0.210 153 A C 0.803 178.307 177.584 -0.133 0.000 1.179 153 A CA -0.350 51.616 52.037 -0.118 0.000 0.827 153 A CB -0.328 18.607 19.000 -0.108 0.000 0.856 153 A HN 0.410 nan 8.150 nan 0.000 0.488 154 L N 2.174 123.236 121.223 -0.269 0.000 2.578 154 L HA 0.109 4.450 4.340 0.001 0.000 0.279 154 L C -1.793 175.099 176.870 0.037 0.000 1.227 154 L CA -1.000 53.693 54.840 -0.244 0.000 0.900 154 L CB 0.314 41.986 42.059 -0.644 0.000 1.144 154 L HN 0.247 nan 8.230 nan 0.000 0.496 155 P HA 0.259 nan 4.420 nan 0.000 0.283 155 P C -1.187 176.339 177.300 0.376 0.000 1.278 155 P CA -0.806 62.422 63.100 0.213 0.000 0.834 155 P CB 1.115 32.877 31.700 0.104 0.000 1.150 156 A N 0.820 123.813 122.820 0.289 0.000 2.438 156 A HA 0.284 4.604 4.320 0.001 0.000 0.280 156 A C -1.049 176.705 177.584 0.283 0.000 1.160 156 A CA -0.058 52.060 52.037 0.136 0.000 0.821 156 A CB -0.986 17.703 19.000 -0.519 0.000 1.101 156 A HN 0.616 nan 8.150 nan 0.000 0.515 157 W N 3.199 124.587 121.300 0.146 0.000 2.664 157 W HA 0.538 5.199 4.660 0.001 0.000 0.314 157 W C -0.487 176.104 176.519 0.120 0.000 1.010 157 W CA -0.292 57.118 57.345 0.109 0.000 1.306 157 W CB 1.335 30.857 29.460 0.104 0.000 1.254 157 W HN 0.658 nan 8.180 nan 0.000 0.404 158 S N 4.605 120.189 115.700 -0.193 0.000 2.548 158 S HA 0.843 5.314 4.470 0.001 0.000 0.286 158 S C -2.042 172.397 174.600 -0.269 0.000 1.098 158 S CA -0.615 57.477 58.200 -0.181 0.000 0.930 158 S CB 1.619 64.804 63.200 -0.025 0.000 1.070 158 S HN 0.548 nan 8.310 nan 0.000 0.480 159 V N 3.241 123.006 119.914 -0.247 0.000 2.925 159 V HA 0.752 4.872 4.120 0.001 0.000 0.311 159 V C -0.843 175.150 176.094 -0.168 0.000 1.104 159 V CA -0.184 61.996 62.300 -0.199 0.000 0.954 159 V CB 2.413 34.085 31.823 -0.252 0.000 1.022 159 V HN 0.981 nan 8.190 nan 0.000 0.427 160 T N 4.535 118.929 114.554 -0.267 0.000 2.779 160 T HA 0.477 4.828 4.350 0.001 0.000 0.280 160 T C -1.271 173.171 174.700 -0.431 0.000 0.987 160 T CA -0.015 61.792 62.100 -0.488 0.000 0.966 160 T CB 0.543 68.664 68.868 -1.245 0.000 0.933 160 T HN 0.844 nan 8.240 nan 0.000 0.442 161 H N 2.860 121.631 119.070 -0.497 0.000 2.481 161 H HA 0.572 5.129 4.556 0.001 0.000 0.333 161 H C -0.988 174.048 175.328 -0.486 0.000 1.066 161 H CA -1.183 54.608 56.048 -0.428 0.000 1.209 161 H CB 0.743 30.298 29.762 -0.344 0.000 1.445 161 H HN 0.344 nan 8.280 nan 0.000 0.488 162 L N 6.422 127.191 121.223 -0.757 0.000 2.282 162 L HA 0.219 4.560 4.340 0.001 0.000 0.287 162 L C -0.641 175.554 176.870 -1.126 0.000 1.075 162 L CA -0.176 54.184 54.840 -0.801 0.000 0.839 162 L CB -0.543 41.015 42.059 -0.834 0.000 1.219 162 L HN 0.831 nan 8.230 nan 0.000 0.434 163 H N 4.565 122.971 119.070 -1.107 0.000 2.742 163 H HA 0.511 5.068 4.556 0.001 0.000 0.302 163 H C 1.126 176.089 175.328 -0.608 0.000 1.069 163 H CA 0.788 56.311 56.048 -0.875 0.000 1.446 163 H CB 0.659 30.012 29.762 -0.682 0.000 1.462 163 H HN 0.879 nan 8.280 nan 0.000 0.499 164 G N 2.775 111.280 108.800 -0.491 0.000 2.284 164 G HA2 -0.251 3.710 3.960 0.001 0.000 0.216 164 G HA3 -0.251 3.710 3.960 0.001 0.000 0.216 164 G C 0.343 174.314 174.900 -1.548 0.000 1.009 164 G CA -0.165 44.439 45.100 -0.827 0.000 0.625 164 G HN 0.945 nan 8.290 nan 0.000 0.501 165 A N 0.638 122.482 122.820 -1.626 0.000 2.462 165 A HA 0.586 4.906 4.320 0.001 0.000 0.243 165 A C 0.539 177.685 177.584 -0.730 0.000 1.076 165 A CA 1.094 52.124 52.037 -1.678 0.000 0.773 165 A CB 0.433 18.811 19.000 -1.037 0.000 1.010 165 A HN 0.868 nan 8.150 nan 0.000 0.493 166 Q N 1.707 121.228 119.800 -0.466 0.000 2.398 166 Q HA 0.510 4.851 4.340 0.001 0.000 0.251 166 Q C -0.574 175.430 176.000 0.007 0.000 0.999 166 Q CA -0.066 55.658 55.803 -0.131 0.000 0.874 166 Q CB 0.720 29.470 28.738 0.020 0.000 1.215 166 Q HN 0.824 nan 8.270 nan 0.000 0.470 167 T N 1.668 116.263 114.554 0.069 0.000 2.827 167 T HA 0.539 4.890 4.350 0.001 0.000 0.328 167 T C -0.491 174.372 174.700 0.272 0.000 1.598 167 T CA 0.001 62.196 62.100 0.158 0.000 1.043 167 T CB 0.974 69.969 68.868 0.212 0.000 1.447 167 T HN 0.708 nan 8.240 nan 0.000 0.491 168 G N 0.251 109.185 108.800 0.223 0.000 2.634 168 G HA2 0.449 4.410 3.960 0.001 0.000 0.255 168 G HA3 0.449 4.410 3.960 0.001 0.000 0.255 168 G C 1.331 176.303 174.900 0.121 0.000 1.205 168 G CA 0.117 45.376 45.100 0.265 0.000 0.884 168 G HN 1.132 nan 8.290 nan 0.000 0.549 169 G N -0.238 108.384 108.800 -0.297 0.000 2.450 169 G HA2 -0.042 3.919 3.960 0.001 0.000 0.220 169 G HA3 -0.042 3.919 3.960 0.001 0.000 0.220 169 G C 1.756 176.515 174.900 -0.234 0.000 1.130 169 G CA 1.374 46.095 45.100 -0.631 0.000 0.760 169 G HN 0.972 nan 8.290 nan 0.000 0.557 170 G N 0.567 109.284 108.800 -0.138 0.000 2.479 170 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 170 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 170 G C 1.553 176.435 174.900 -0.030 0.000 1.115 170 G CA 1.019 46.073 45.100 -0.077 0.000 0.757 170 G HN 0.486 nan 8.290 nan 0.000 0.560 171 N N -0.082 118.617 118.700 -0.001 0.000 2.250 171 N HA 0.019 4.760 4.740 0.001 0.000 0.190 171 N C 0.993 176.571 175.510 0.113 0.000 1.116 171 N CA 0.367 53.420 53.050 0.005 0.000 0.881 171 N CB 0.332 38.786 38.487 -0.055 0.000 1.006 171 N HN 0.230 nan 8.380 nan 0.000 0.491 172 D N 0.470 120.957 120.400 0.146 0.000 2.347 172 D HA 0.066 4.707 4.640 0.001 0.000 0.213 172 D C 0.657 177.090 176.300 0.222 0.000 0.985 172 D CA 0.507 54.664 54.000 0.262 0.000 0.879 172 D CB 0.014 41.017 40.800 0.339 0.000 0.919 172 D HN 0.301 nan 8.370 nan 0.000 0.526 173 G N 0.623 109.476 108.800 0.088 0.000 2.325 173 G HA2 -0.255 3.706 3.960 0.001 0.000 0.248 173 G HA3 -0.255 3.706 3.960 0.001 0.000 0.248 173 G C -0.058 174.761 174.900 -0.135 0.000 1.108 173 G CA -0.184 44.899 45.100 -0.029 0.000 0.881 173 G HN 0.337 nan 8.290 nan 0.000 0.494 174 W N 0.374 121.546 121.300 -0.214 0.000 2.493 174 W HA 0.181 4.841 4.660 0.001 0.000 0.337 174 W C 0.998 177.381 176.519 -0.227 0.000 1.234 174 W CA 0.486 57.691 57.345 -0.233 0.000 1.286 174 W CB 0.441 29.804 29.460 -0.162 0.000 1.188 174 W HN 0.653 nan 8.180 nan 0.000 0.564 175 A N 4.367 126.579 122.820 -1.013 0.000 2.019 175 A HA -0.227 4.094 4.320 0.001 0.000 0.219 175 A C 1.684 178.986 177.584 -0.470 0.000 1.164 175 A CA 1.803 53.436 52.037 -0.674 0.000 0.644 175 A CB -0.363 18.251 19.000 -0.643 0.000 0.805 175 A HN 0.703 nan 8.150 nan 0.000 0.449 176 D N -0.004 120.153 120.400 -0.404 0.000 2.269 176 D HA -0.066 4.575 4.640 0.001 0.000 0.208 176 D C 0.448 176.832 176.300 0.140 0.000 0.963 176 D CA 0.757 54.802 54.000 0.075 0.000 0.864 176 D CB -0.411 40.612 40.800 0.371 0.000 0.936 176 D HN 0.618 nan 8.370 nan 0.000 0.505 177 N N 0.677 119.427 118.700 0.084 0.000 2.597 177 N HA 0.243 4.983 4.740 0.001 0.000 0.269 177 N C -0.055 175.385 175.510 -0.117 0.000 1.204 177 N CA -0.506 52.593 53.050 0.081 0.000 0.947 177 N CB 0.654 39.230 38.487 0.150 0.000 1.258 177 N HN 0.020 nan 8.380 nan 0.000 0.508 178 A N 0.736 123.287 122.820 -0.448 0.000 2.366 178 A HA 0.416 4.737 4.320 0.001 0.000 0.249 178 A C 0.447 177.794 177.584 -0.395 0.000 1.084 178 A CA -0.391 51.159 52.037 -0.811 0.000 0.794 178 A CB 0.370 18.165 19.000 -2.009 0.000 1.034 178 A HN 0.150 nan 8.150 nan 0.000 0.491 179 V N -0.409 119.372 119.914 -0.222 0.000 2.769 179 V HA 0.886 5.007 4.120 0.001 0.000 0.312 179 V C 0.497 176.706 176.094 0.191 0.000 1.061 179 V CA -0.123 62.220 62.300 0.072 0.000 0.931 179 V CB 1.123 32.974 31.823 0.046 0.000 1.010 179 V HN 1.295 nan 8.190 nan 0.000 0.433 180 G N 1.422 110.391 108.800 0.282 0.000 2.535 180 G HA2 0.502 4.463 3.960 0.001 0.000 0.303 180 G HA3 0.502 4.463 3.960 0.001 0.000 0.303 180 G C -0.595 174.408 174.900 0.172 0.000 1.237 180 G CA -0.869 44.395 45.100 0.273 0.000 0.986 180 G HN 1.013 nan 8.290 nan 0.000 0.494 181 F N 0.458 120.432 119.950 0.041 0.000 2.623 181 F HA 0.306 4.834 4.527 0.001 0.000 0.386 181 F C 1.456 177.265 175.800 0.014 0.000 1.068 181 F CA 1.612 59.611 58.000 -0.001 0.000 1.265 181 F CB 0.438 39.431 39.000 -0.012 0.000 1.026 181 F HN 1.116 nan 8.300 nan 0.000 0.568 182 G N 3.385 111.607 108.800 -0.962 0.000 2.241 182 G HA2 -0.248 3.713 3.960 0.001 0.000 0.244 182 G HA3 -0.248 3.713 3.960 0.001 0.000 0.244 182 G C -0.089 174.613 174.900 -0.330 0.000 0.998 182 G CA 0.187 44.781 45.100 -0.843 0.000 0.621 182 G HN 0.723 nan 8.290 nan 0.000 0.519 183 D N 0.554 120.848 120.400 -0.176 0.000 2.385 183 D HA 0.754 5.395 4.640 0.001 0.000 0.254 183 D C 0.435 176.713 176.300 -0.037 0.000 1.053 183 D CA 0.584 54.541 54.000 -0.072 0.000 0.992 183 D CB 1.683 42.479 40.800 -0.006 0.000 1.145 183 D HN 0.766 nan 8.370 nan 0.000 0.523 184 A N 0.178 122.993 122.820 -0.008 0.000 2.423 184 A HA 0.460 4.781 4.320 0.001 0.000 0.304 184 A C -0.837 176.781 177.584 0.057 0.000 1.104 184 A CA -0.695 51.359 52.037 0.028 0.000 0.757 184 A CB 1.760 20.764 19.000 0.006 0.000 1.313 184 A HN 0.437 nan 8.150 nan 0.000 0.423 185 Q N 1.818 121.688 119.800 0.117 0.000 2.325 185 Q HA 0.591 4.932 4.340 0.001 0.000 0.262 185 Q C -1.742 174.352 176.000 0.157 0.000 0.968 185 Q CA -0.388 55.496 55.803 0.135 0.000 0.877 185 Q CB 0.764 29.601 28.738 0.166 0.000 1.253 185 Q HN 0.705 nan 8.270 nan 0.000 0.448 186 L N 2.643 123.907 121.223 0.069 0.000 2.289 186 L HA 0.508 4.849 4.340 0.001 0.000 0.285 186 L C -0.416 176.444 176.870 -0.018 0.000 1.049 186 L CA -0.573 54.270 54.840 0.005 0.000 0.804 186 L CB 1.790 43.830 42.059 -0.031 0.000 1.195 186 L HN 0.586 nan 8.230 nan 0.000 0.428 187 S N 1.824 117.460 115.700 -0.107 0.000 2.594 187 S HA 0.281 4.751 4.470 0.001 0.000 0.296 187 S C -0.767 173.527 174.600 -0.509 0.000 1.124 187 S CA -0.700 57.328 58.200 -0.287 0.000 1.011 187 S CB 1.997 65.028 63.200 -0.281 0.000 1.016 187 S HN 0.605 nan 8.310 nan 0.000 0.485 188 E N 2.432 122.384 120.200 -0.413 0.000 2.174 188 E HA 0.348 4.699 4.350 0.001 0.000 0.282 188 E C -1.619 174.769 176.600 -0.355 0.000 0.992 188 E CA -0.509 55.703 56.400 -0.313 0.000 0.803 188 E CB 0.570 30.201 29.700 -0.116 0.000 1.090 188 E HN 0.570 nan 8.360 nan 0.000 0.396 189 Y N 5.088 125.449 120.300 0.101 0.000 2.388 189 Y HA 0.287 4.837 4.550 0.001 0.000 0.328 189 Y C -1.964 174.026 175.900 0.150 0.000 0.963 189 Y CA -2.724 55.456 58.100 0.133 0.000 1.240 189 Y CB 1.648 40.225 38.460 0.196 0.000 1.118 189 Y HN 0.583 nan 8.280 nan 0.000 0.484 190 P HA -0.089 nan 4.420 nan 0.000 0.226 190 P C -0.472 176.968 177.300 0.234 0.000 1.153 190 P CA 0.991 64.208 63.100 0.195 0.000 0.777 190 P CB 0.132 31.920 31.700 0.147 0.000 0.794 191 N N -1.613 117.289 118.700 0.336 0.000 2.721 191 N HA -0.206 4.535 4.740 0.001 0.000 0.249 191 N C -0.451 175.217 175.510 0.263 0.000 1.072 191 N CA 0.288 53.554 53.050 0.361 0.000 0.710 191 N CB -1.511 37.153 38.487 0.295 0.000 0.993 191 N HN 0.203 nan 8.380 nan 0.000 0.547 192 D N 0.618 121.168 120.400 0.249 0.000 2.522 192 D HA 0.133 4.773 4.640 0.001 0.000 0.218 192 D C -0.736 175.704 176.300 0.233 0.000 1.149 192 D CA 0.374 54.481 54.000 0.180 0.000 0.981 192 D CB 0.017 40.887 40.800 0.116 0.000 1.041 192 D HN 0.339 nan 8.370 nan 0.000 0.518 193 H N 1.674 120.802 119.070 0.097 0.000 3.094 193 H HA 0.113 4.670 4.556 0.001 0.000 0.346 193 H C -0.838 174.483 175.328 -0.013 0.000 1.238 193 H CA -0.600 55.497 56.048 0.081 0.000 1.209 193 H CB 1.514 31.434 29.762 0.262 0.000 1.911 193 H HN 0.381 nan 8.280 nan 0.000 0.540 194 Q N 2.339 121.962 119.800 -0.295 0.000 2.474 194 Q HA 0.479 4.820 4.340 0.001 0.000 0.256 194 Q C -0.204 175.801 176.000 0.008 0.000 1.048 194 Q CA -0.229 55.495 55.803 -0.131 0.000 0.922 194 Q CB 0.771 29.392 28.738 -0.195 0.000 1.288 194 Q HN 0.560 nan 8.270 nan 0.000 0.484 195 A N 1.468 124.271 122.820 -0.028 0.000 2.587 195 A HA 0.295 4.616 4.320 0.001 0.000 0.235 195 A C 0.219 177.775 177.584 -0.047 0.000 1.044 195 A CA 1.079 53.082 52.037 -0.055 0.000 0.754 195 A CB 0.104 19.081 19.000 -0.039 0.000 0.968 195 A HN 0.784 nan 8.150 nan 0.000 0.509 196 T N 0.270 114.736 114.554 -0.146 0.000 2.686 196 T HA 0.362 4.713 4.350 0.001 0.000 0.308 196 T C -1.531 173.040 174.700 -0.215 0.000 1.667 196 T CA -0.483 61.532 62.100 -0.142 0.000 0.987 196 T CB 0.960 69.777 68.868 -0.086 0.000 1.652 196 T HN 0.887 nan 8.240 nan 0.000 0.496 197 Q N 1.630 121.371 119.800 -0.099 0.000 2.340 197 Q HA 0.436 4.777 4.340 0.001 0.000 0.259 197 Q C -1.130 174.949 176.000 0.132 0.000 0.964 197 Q CA -0.694 55.102 55.803 -0.011 0.000 0.900 197 Q CB 0.565 29.324 28.738 0.035 0.000 1.228 197 Q HN 0.491 nan 8.270 nan 0.000 0.449 198 W N 4.024 125.412 121.300 0.146 0.000 2.367 198 W HA 0.521 5.182 4.660 0.002 0.000 0.369 198 W C -0.181 176.509 176.519 0.285 0.000 1.276 198 W CA -0.948 56.480 57.345 0.138 0.000 1.415 198 W CB 0.811 30.236 29.460 -0.059 0.000 1.306 198 W HN 0.620 nan 8.180 nan 0.000 0.669 199 W N 1.791 123.216 121.300 0.209 0.000 3.118 199 W HA 0.537 5.198 4.660 0.001 0.000 0.328 199 W C -2.169 174.422 176.519 0.119 0.000 1.239 199 W CA -2.141 55.281 57.345 0.127 0.000 1.176 199 W CB -0.143 29.326 29.460 0.015 0.000 1.433 199 W HN 0.533 nan 8.180 nan 0.000 0.562 200 Y N 0.644 120.931 120.300 -0.023 0.000 2.485 200 Y HA 0.790 5.340 4.550 0.001 0.000 0.345 200 Y C -0.817 174.952 175.900 -0.220 0.000 0.998 200 Y CA -1.249 56.634 58.100 -0.362 0.000 1.059 200 Y CB 1.571 39.813 38.460 -0.364 0.000 1.234 200 Y HN 0.720 nan 8.280 nan 0.000 0.461 201 H N -0.959 117.964 119.070 -0.246 0.000 3.037 201 H HA 0.295 4.852 4.556 0.001 0.000 0.336 201 H C -1.609 173.727 175.328 0.013 0.000 1.323 201 H CA -1.156 54.855 56.048 -0.062 0.000 1.159 201 H CB 1.112 30.705 29.762 -0.281 0.000 1.882 201 H HN 0.837 nan 8.280 nan 0.000 0.535 202 D N 0.088 120.627 120.400 0.231 0.000 2.478 202 D HA -0.113 4.528 4.640 0.001 0.000 0.234 202 D C -0.283 176.076 176.300 0.098 0.000 1.154 202 D CA 0.638 54.707 54.000 0.114 0.000 0.874 202 D CB 0.463 41.337 40.800 0.123 0.000 1.198 202 D HN 0.758 nan 8.370 nan 0.000 0.455 203 H N 1.674 120.674 119.070 -0.117 0.000 2.777 203 H HA 0.257 4.813 4.556 0.001 0.000 0.244 203 H C -0.729 174.435 175.328 -0.275 0.000 1.185 203 H CA -0.301 55.642 56.048 -0.175 0.000 0.945 203 H CB 0.294 29.919 29.762 -0.228 0.000 1.994 203 H HN 0.447 nan 8.280 nan 0.000 0.638 204 A N 1.692 124.428 122.820 -0.139 0.000 2.548 204 A HA 0.087 4.407 4.320 0.001 0.000 0.247 204 A C 0.800 178.285 177.584 -0.165 0.000 1.067 204 A CA -0.253 51.610 52.037 -0.290 0.000 0.757 204 A CB -0.303 18.533 19.000 -0.273 0.000 0.996 204 A HN 0.477 nan 8.150 nan 0.000 0.504 205 M N 3.885 123.378 119.600 -0.179 0.000 2.336 205 M HA -0.026 4.455 4.480 0.001 0.000 0.371 205 M C 0.804 177.140 176.300 0.059 0.000 1.542 205 M CA 1.148 56.394 55.300 -0.090 0.000 0.959 205 M CB -1.005 31.589 32.600 -0.011 0.000 2.033 205 M HN 0.866 nan 8.290 nan 0.000 0.472 206 N N 2.537 121.194 118.700 -0.073 0.000 2.951 206 N HA -0.268 4.473 4.740 0.001 0.000 0.218 206 N C 0.450 175.945 175.510 -0.024 0.000 0.858 206 N CA 2.038 55.063 53.050 -0.042 0.000 1.050 206 N CB -1.699 36.814 38.487 0.044 0.000 1.012 206 N HN 0.878 nan 8.380 nan 0.000 0.611 207 I N -3.795 116.803 120.570 0.047 0.000 4.050 207 I HA 0.294 4.464 4.170 0.001 0.000 0.327 207 I C 1.280 177.400 176.117 0.005 0.000 1.473 207 I CA -0.163 61.213 61.300 0.126 0.000 1.124 207 I CB 0.380 38.596 38.000 0.361 0.000 1.129 207 I HN -0.242 nan 8.210 nan 0.000 0.428 208 T N 2.489 116.965 114.554 -0.131 0.000 2.737 208 T HA -0.216 4.134 4.350 0.001 0.000 0.269 208 T C 1.989 176.557 174.700 -0.220 0.000 1.040 208 T CA 2.429 64.431 62.100 -0.163 0.000 1.142 208 T CB -0.382 68.318 68.868 -0.280 0.000 0.861 208 T HN 0.612 nan 8.240 nan 0.000 0.456 209 R N -0.340 119.904 120.500 -0.426 0.000 2.189 209 R HA -0.081 4.260 4.340 0.001 0.000 0.223 209 R C 1.884 177.847 176.300 -0.562 0.000 1.092 209 R CA 1.204 56.967 56.100 -0.560 0.000 0.989 209 R CB -0.326 29.485 30.300 -0.816 0.000 0.876 209 R HN 0.439 nan 8.270 nan 0.000 0.457 210 W N 0.957 122.150 121.300 -0.178 0.000 2.630 210 W HA 0.193 4.854 4.660 0.001 0.000 0.275 210 W C 1.544 178.046 176.519 -0.028 0.000 1.192 210 W CA -0.274 56.995 57.345 -0.128 0.000 1.410 210 W CB -0.851 28.592 29.460 -0.028 0.000 1.075 210 W HN 0.114 nan 8.180 nan 0.000 0.581 211 N N 0.966 119.826 118.700 0.267 0.000 2.069 211 N HA -0.152 4.589 4.740 0.001 0.000 0.191 211 N C 1.778 177.362 175.510 0.123 0.000 1.031 211 N CA 1.693 54.876 53.050 0.222 0.000 0.852 211 N CB -0.930 37.705 38.487 0.247 0.000 1.018 211 N HN -0.155 nan 8.380 nan 0.000 0.423 212 V N 1.138 121.096 119.914 0.074 0.000 2.407 212 V HA -0.154 3.966 4.120 0.001 0.000 0.248 212 V C 2.248 178.369 176.094 0.045 0.000 1.055 212 V CA 1.323 63.676 62.300 0.089 0.000 1.049 212 V CB -0.427 31.405 31.823 0.015 0.000 0.662 212 V HN 0.355 nan 8.190 nan 0.000 0.455 213 M N 0.081 119.657 119.600 -0.041 0.000 2.319 213 M HA -0.052 4.429 4.480 0.001 0.000 0.265 213 M C 1.983 178.236 176.300 -0.078 0.000 1.068 213 M CA 1.692 56.935 55.300 -0.095 0.000 1.118 213 M CB -0.196 32.311 32.600 -0.156 0.000 1.395 213 M HN 0.311 nan 8.290 nan 0.000 0.435 214 A N -0.340 122.414 122.820 -0.111 0.000 2.067 214 A HA 0.188 4.509 4.320 0.001 0.000 0.219 214 A C 1.721 179.240 177.584 -0.109 0.000 1.158 214 A CA 1.309 53.179 52.037 -0.277 0.000 0.661 214 A CB -0.613 18.066 19.000 -0.535 0.000 0.801 214 A HN 0.742 nan 8.150 nan 0.000 0.452 215 G N -2.174 106.681 108.800 0.092 0.000 2.507 215 G HA2 -0.041 3.920 3.960 0.001 0.000 0.205 215 G HA3 -0.041 3.920 3.960 0.001 0.000 0.205 215 G C 0.035 175.070 174.900 0.225 0.000 0.996 215 G CA -0.161 45.055 45.100 0.193 0.000 0.776 215 G HN 0.271 nan 8.290 nan 0.000 0.532 216 L N 2.249 123.634 121.223 0.271 0.000 2.466 216 L HA 0.544 4.885 4.340 0.001 0.000 0.248 216 L C 0.133 177.363 176.870 0.599 0.000 1.240 216 L CA -0.790 54.169 54.840 0.198 0.000 1.180 216 L CB -0.719 41.345 42.059 0.008 0.000 1.413 216 L HN 0.425 nan 8.230 nan 0.000 0.406 217 Y N -0.908 119.611 120.300 0.363 0.000 2.581 217 Y HA 0.920 5.472 4.550 0.002 0.000 0.337 217 Y C -0.118 175.768 175.900 -0.023 0.000 1.108 217 Y CA -1.094 57.142 58.100 0.227 0.000 1.033 217 Y CB 1.662 40.315 38.460 0.321 0.000 1.318 217 Y HN 0.124 nan 8.280 nan 0.000 0.459 218 G N 0.078 108.604 108.800 -0.456 0.000 2.550 218 G HA2 0.496 4.457 3.960 0.001 0.000 0.293 218 G HA3 0.496 4.457 3.960 0.001 0.000 0.293 218 G C -1.908 172.752 174.900 -0.400 0.000 1.402 218 G CA -0.606 44.136 45.100 -0.597 0.000 0.784 218 G HN 0.764 nan 8.290 nan 0.000 0.482 219 T N -1.492 113.058 114.554 -0.007 0.000 2.926 219 T HA 0.684 5.035 4.350 0.001 0.000 0.289 219 T C -2.049 172.918 174.700 0.445 0.000 1.054 219 T CA -0.460 61.792 62.100 0.254 0.000 1.015 219 T CB 1.540 70.526 68.868 0.196 0.000 1.167 219 T HN 0.884 nan 8.240 nan 0.000 0.526 220 Y N 2.787 123.252 120.300 0.275 0.000 2.307 220 Y HA 0.555 5.106 4.550 0.002 0.000 0.323 220 Y C -1.877 174.068 175.900 0.075 0.000 1.100 220 Y CA -1.074 57.166 58.100 0.233 0.000 1.140 220 Y CB 0.697 39.361 38.460 0.340 0.000 1.159 220 Y HN 0.544 nan 8.280 nan 0.000 0.436 221 L N 6.697 127.937 121.223 0.028 0.000 2.307 221 L HA 0.759 5.100 4.340 0.001 0.000 0.284 221 L C -0.710 176.061 176.870 -0.166 0.000 1.023 221 L CA -1.337 53.468 54.840 -0.057 0.000 0.810 221 L CB 1.559 43.590 42.059 -0.046 0.000 1.231 221 L HN 0.313 nan 8.230 nan 0.000 0.423 222 V N 3.303 123.082 119.914 -0.225 0.000 2.435 222 V HA 0.544 4.665 4.120 0.001 0.000 0.290 222 V C 0.056 176.063 176.094 -0.146 0.000 1.030 222 V CA -0.774 61.391 62.300 -0.224 0.000 0.881 222 V CB 1.616 33.210 31.823 -0.381 0.000 0.983 222 V HN 0.654 nan 8.190 nan 0.000 0.445 223 R N 3.225 123.666 120.500 -0.099 0.000 2.732 223 R HA 0.736 5.077 4.340 0.001 0.000 0.278 223 R C -0.988 175.283 176.300 -0.048 0.000 0.976 223 R CA -0.713 55.347 56.100 -0.066 0.000 0.963 223 R CB 1.991 32.258 30.300 -0.055 0.000 1.150 223 R HN 0.995 nan 8.270 nan 0.000 0.478 224 D N -1.602 118.777 120.400 -0.035 0.000 2.643 224 D HA 0.164 4.805 4.640 0.001 0.000 0.283 224 D C -0.237 176.052 176.300 -0.018 0.000 1.242 224 D CA -0.593 53.393 54.000 -0.024 0.000 0.863 224 D CB 0.394 41.181 40.800 -0.023 0.000 1.382 224 D HN 0.138 nan 8.370 nan 0.000 0.444 225 D N -0.212 120.180 120.400 -0.013 0.000 2.178 225 D HA -0.156 4.485 4.640 0.001 0.000 0.201 225 D C 1.317 177.611 176.300 -0.009 0.000 0.980 225 D CA 1.127 55.120 54.000 -0.011 0.000 0.842 225 D CB 0.222 41.017 40.800 -0.009 0.000 0.948 225 D HN 0.656 nan 8.370 nan 0.000 0.472 226 E N 0.759 120.955 120.200 -0.007 0.000 2.046 226 E HA -0.169 4.182 4.350 0.001 0.000 0.190 226 E C 1.951 178.551 176.600 -0.000 0.000 0.982 226 E CA 0.627 57.026 56.400 -0.001 0.000 0.800 226 E CB 0.108 29.811 29.700 0.006 0.000 0.756 226 E HN 0.238 nan 8.360 nan 0.000 0.449 227 E N 0.242 120.441 120.200 -0.002 0.000 2.110 227 E HA -0.224 4.127 4.350 0.001 0.000 0.193 227 E C 1.540 178.137 176.600 -0.005 0.000 0.988 227 E CA 1.440 57.839 56.400 -0.002 0.000 0.804 227 E CB 0.036 29.731 29.700 -0.008 0.000 0.745 227 E HN 0.228 nan 8.360 nan 0.000 0.458 228 D N 0.244 120.638 120.400 -0.010 0.000 2.123 228 D HA -0.152 4.489 4.640 0.001 0.000 0.196 228 D C 1.709 178.005 176.300 -0.007 0.000 0.992 228 D CA 1.403 55.397 54.000 -0.011 0.000 0.833 228 D CB -0.299 40.493 40.800 -0.013 0.000 0.954 228 D HN 0.300 nan 8.370 nan 0.000 0.455 229 A N 0.055 122.870 122.820 -0.008 0.000 2.172 229 A HA -0.031 4.289 4.320 0.001 0.000 0.216 229 A C 2.134 179.711 177.584 -0.012 0.000 1.154 229 A CA 0.454 52.485 52.037 -0.011 0.000 0.701 229 A CB -0.510 18.483 19.000 -0.012 0.000 0.789 229 A HN 0.228 nan 8.150 nan 0.000 0.465 230 L N -1.042 120.181 121.223 -0.001 0.000 2.554 230 L HA 0.133 4.474 4.340 0.001 0.000 0.226 230 L C 1.586 178.491 176.870 0.058 0.000 1.137 230 L CA 0.452 55.298 54.840 0.010 0.000 0.863 230 L CB -0.324 41.750 42.059 0.024 0.000 0.985 230 L HN 0.523 nan 8.230 nan 0.000 0.451 231 G N 1.465 110.290 108.800 0.042 0.000 2.366 231 G HA2 -0.282 3.678 3.960 0.001 0.000 0.299 231 G HA3 -0.282 3.678 3.960 0.001 0.000 0.299 231 G C 0.106 175.071 174.900 0.108 0.000 1.020 231 G CA -0.018 45.119 45.100 0.061 0.000 1.026 231 G HN 0.243 nan 8.290 nan 0.000 0.512 232 L N -0.127 121.107 121.223 0.018 0.000 2.453 232 L HA 0.351 4.692 4.340 0.001 0.000 0.261 232 L C -1.290 175.429 176.870 -0.252 0.000 1.179 232 L CA -2.095 52.654 54.840 -0.152 0.000 0.813 232 L CB 0.176 42.166 42.059 -0.115 0.000 1.110 232 L HN -0.029 nan 8.230 nan 0.000 0.466 233 P HA -0.037 nan 4.420 nan 0.000 0.261 233 P C -0.653 176.542 177.300 -0.175 0.000 1.165 233 P CA 0.330 63.249 63.100 -0.301 0.000 0.759 233 P CB 0.539 32.047 31.700 -0.318 0.000 0.772 234 S N 1.331 116.951 115.700 -0.132 0.000 2.851 234 S HA 0.813 5.284 4.470 0.001 0.000 0.313 234 S C 0.594 175.156 174.600 -0.064 0.000 1.163 234 S CA -0.066 58.087 58.200 -0.080 0.000 0.850 234 S CB 1.167 64.332 63.200 -0.059 0.000 1.245 234 S HN 0.760 nan 8.310 nan 0.000 0.558 235 G N 1.431 110.211 108.800 -0.033 0.000 2.611 235 G HA2 -0.339 3.622 3.960 0.001 0.000 0.301 235 G HA3 -0.339 3.622 3.960 0.001 0.000 0.301 235 G C 0.317 175.218 174.900 0.002 0.000 1.233 235 G CA 0.857 45.947 45.100 -0.015 0.000 0.993 235 G HN 0.832 nan 8.290 nan 0.000 0.553 236 D N 0.882 121.288 120.400 0.009 0.000 2.292 236 D HA -0.107 4.534 4.640 0.001 0.000 0.205 236 D C 2.380 178.714 176.300 0.057 0.000 0.994 236 D CA 1.409 55.438 54.000 0.048 0.000 0.897 236 D CB -0.108 40.721 40.800 0.047 0.000 0.907 236 D HN 0.517 nan 8.370 nan 0.000 0.467 237 R N 0.247 120.701 120.500 -0.078 0.000 2.362 237 R HA 0.158 4.499 4.340 0.001 0.000 0.227 237 R C 0.463 176.729 176.300 -0.056 0.000 0.905 237 R CA -0.093 55.846 56.100 -0.269 0.000 1.067 237 R CB 0.743 30.697 30.300 -0.577 0.000 1.078 237 R HN 0.179 nan 8.270 nan 0.000 0.516 238 E N 1.609 121.824 120.200 0.024 0.000 2.145 238 E HA 0.336 4.686 4.350 0.001 0.000 0.270 238 E C -1.037 175.630 176.600 0.112 0.000 0.906 238 E CA -0.399 56.038 56.400 0.062 0.000 0.761 238 E CB 0.992 30.700 29.700 0.013 0.000 1.116 238 E HN 0.057 nan 8.360 nan 0.000 0.408 239 I N 6.532 127.193 120.570 0.153 0.000 2.439 239 I HA 0.311 4.482 4.170 0.001 0.000 0.283 239 I C -2.316 173.872 176.117 0.119 0.000 1.023 239 I CA -2.551 58.840 61.300 0.152 0.000 1.100 239 I CB 1.694 39.823 38.000 0.216 0.000 1.238 239 I HN 0.354 nan 8.210 nan 0.000 0.445 240 P HA 0.216 nan 4.420 nan 0.000 0.268 240 P C -0.954 176.391 177.300 0.075 0.000 1.205 240 P CA 0.031 63.178 63.100 0.077 0.000 0.771 240 P CB 0.596 32.337 31.700 0.069 0.000 0.858 241 L N 3.591 124.853 121.223 0.066 0.000 2.406 241 L HA 0.373 4.714 4.340 0.001 0.000 0.270 241 L C -0.666 176.218 176.870 0.023 0.000 0.982 241 L CA -0.697 54.173 54.840 0.050 0.000 0.843 241 L CB 1.261 43.357 42.059 0.061 0.000 1.225 241 L HN 0.155 nan 8.230 nan 0.000 0.412 242 L N 5.470 126.718 121.223 0.041 0.000 2.277 242 L HA 0.496 4.837 4.340 0.001 0.000 0.284 242 L C 0.036 176.932 176.870 0.044 0.000 1.028 242 L CA -0.093 54.780 54.840 0.055 0.000 0.835 242 L CB 0.996 43.174 42.059 0.199 0.000 1.215 242 L HN 0.443 nan 8.230 nan 0.000 0.425 243 I N 0.590 121.116 120.570 -0.072 0.000 2.437 243 I HA 0.993 5.163 4.170 0.001 0.000 0.298 243 I C -0.088 175.964 176.117 -0.109 0.000 0.984 243 I CA -0.593 60.632 61.300 -0.125 0.000 1.214 243 I CB 1.841 39.656 38.000 -0.310 0.000 1.365 243 I HN 0.565 nan 8.210 nan 0.000 0.469 244 A N 4.221 127.026 122.820 -0.025 0.000 2.517 244 A HA 0.514 4.835 4.320 0.001 0.000 0.297 244 A C -1.237 176.461 177.584 0.189 0.000 1.050 244 A CA -0.735 51.327 52.037 0.042 0.000 0.694 244 A CB 1.263 20.174 19.000 -0.149 0.000 1.277 244 A HN 0.865 nan 8.150 nan 0.000 0.400 245 D N 1.707 122.307 120.400 0.333 0.000 2.313 245 D HA 0.580 5.220 4.640 0.001 0.000 0.247 245 D C -0.288 176.235 176.300 0.371 0.000 1.094 245 D CA -0.156 54.057 54.000 0.356 0.000 0.925 245 D CB 0.833 41.813 40.800 0.300 0.000 1.188 245 D HN 0.333 nan 8.370 nan 0.000 0.430 246 R N 1.126 121.850 120.500 0.372 0.000 2.740 246 R HA 0.473 4.814 4.340 0.001 0.000 0.273 246 R C -0.822 175.788 176.300 0.517 0.000 0.998 246 R CA -0.852 55.478 56.100 0.383 0.000 0.900 246 R CB 1.431 31.841 30.300 0.184 0.000 1.223 246 R HN 0.558 nan 8.270 nan 0.000 0.466 247 N N 0.854 119.881 118.700 0.545 0.000 2.362 247 N HA 0.601 5.342 4.740 0.001 0.000 0.299 247 N C -1.113 174.572 175.510 0.293 0.000 1.170 247 N CA -0.520 52.808 53.050 0.463 0.000 0.825 247 N CB 1.417 40.158 38.487 0.423 0.000 1.299 247 N HN 0.403 nan 8.380 nan 0.000 0.502 248 L N 0.471 121.853 121.223 0.266 0.000 2.341 248 L HA 0.446 4.786 4.340 0.001 0.000 0.267 248 L C 0.042 176.973 176.870 0.103 0.000 1.009 248 L CA -1.015 53.881 54.840 0.094 0.000 0.819 248 L CB 1.788 43.802 42.059 -0.074 0.000 1.323 248 L HN 0.421 nan 8.230 nan 0.000 0.425 249 D N 0.535 120.969 120.400 0.055 0.000 2.358 249 D HA 0.367 5.008 4.640 0.001 0.000 0.244 249 D C -0.481 175.842 176.300 0.038 0.000 1.163 249 D CA 0.140 54.172 54.000 0.053 0.000 0.945 249 D CB 1.547 42.369 40.800 0.037 0.000 1.152 249 D HN 0.622 nan 8.370 nan 0.000 0.451 250 T N -1.174 113.406 114.554 0.042 0.000 2.924 250 T HA 0.459 4.809 4.350 0.001 0.000 0.291 250 T C -0.168 174.548 174.700 0.027 0.000 1.045 250 T CA -1.029 61.091 62.100 0.033 0.000 1.015 250 T CB 1.690 70.584 68.868 0.044 0.000 1.103 250 T HN 0.076 nan 8.240 nan 0.000 0.496 251 D N 0.587 120.999 120.400 0.020 0.000 2.414 251 D HA 0.223 4.864 4.640 0.001 0.000 0.259 251 D C 1.426 177.738 176.300 0.019 0.000 1.269 251 D CA -0.631 53.380 54.000 0.018 0.000 1.028 251 D CB 0.622 41.430 40.800 0.013 0.000 1.093 251 D HN 0.755 nan 8.370 nan 0.000 0.545 252 E N -0.165 120.045 120.200 0.017 0.000 2.077 252 E HA -0.175 4.175 4.350 0.001 0.000 0.193 252 E C 0.969 177.579 176.600 0.017 0.000 0.989 252 E CA 1.098 57.508 56.400 0.016 0.000 0.800 252 E CB 0.035 29.743 29.700 0.014 0.000 0.746 252 E HN 0.421 nan 8.360 nan 0.000 0.452 253 D N -0.568 119.841 120.400 0.015 0.000 2.371 253 D HA -0.020 4.621 4.640 0.001 0.000 0.234 253 D C 1.124 177.436 176.300 0.019 0.000 1.049 253 D CA 0.807 54.817 54.000 0.015 0.000 0.907 253 D CB -0.105 40.702 40.800 0.013 0.000 0.891 253 D HN 0.246 nan 8.370 nan 0.000 0.531 254 G N 0.242 109.056 108.800 0.023 0.000 2.148 254 G HA2 -0.318 3.643 3.960 0.001 0.000 0.254 254 G HA3 -0.318 3.643 3.960 0.001 0.000 0.254 254 G C 0.217 175.135 174.900 0.030 0.000 0.981 254 G CA -0.181 44.937 45.100 0.030 0.000 0.670 254 G HN 0.388 nan 8.290 nan 0.000 0.528 255 R N -0.255 120.257 120.500 0.020 0.000 2.543 255 R HA 0.352 4.692 4.340 0.001 0.000 0.277 255 R C 1.043 177.347 176.300 0.007 0.000 1.074 255 R CA -0.410 55.698 56.100 0.012 0.000 1.076 255 R CB 0.477 30.780 30.300 0.006 0.000 0.993 255 R HN 0.327 nan 8.270 nan 0.000 0.459 256 L N 3.561 124.778 121.223 -0.010 0.000 2.455 256 L HA -0.046 4.295 4.340 0.001 0.000 0.272 256 L C 1.237 178.085 176.870 -0.036 0.000 1.174 256 L CA 0.195 55.014 54.840 -0.036 0.000 0.869 256 L CB 0.245 42.240 42.059 -0.105 0.000 1.130 256 L HN 0.706 nan 8.230 nan 0.000 0.474 257 N N 0.938 119.622 118.700 -0.026 0.000 2.200 257 N HA 0.129 4.869 4.740 0.001 0.000 0.224 257 N C 0.922 176.429 175.510 -0.004 0.000 1.179 257 N CA 0.236 53.281 53.050 -0.008 0.000 0.877 257 N CB 1.046 39.539 38.487 0.010 0.000 1.072 257 N HN 0.744 nan 8.380 nan 0.000 0.519 258 G N 0.492 109.268 108.800 -0.039 0.000 2.220 258 G HA2 -0.383 3.577 3.960 0.001 0.000 0.269 258 G HA3 -0.383 3.577 3.960 0.001 0.000 0.269 258 G C 0.014 174.899 174.900 -0.024 0.000 0.977 258 G CA 0.273 45.351 45.100 -0.037 0.000 0.634 258 G HN 0.483 nan 8.290 nan 0.000 0.539 259 R N 0.325 120.818 120.500 -0.011 0.000 2.316 259 R HA 0.406 4.747 4.340 0.001 0.000 0.314 259 R C 0.901 177.182 176.300 -0.032 0.000 1.069 259 R CA -0.521 55.565 56.100 -0.023 0.000 0.959 259 R CB 0.472 30.769 30.300 -0.005 0.000 0.987 259 R HN 0.305 nan 8.270 nan 0.000 0.446 260 L N 4.592 125.774 121.223 -0.069 0.000 2.601 260 L HA -0.040 4.301 4.340 0.001 0.000 0.277 260 L C -0.096 176.768 176.870 -0.011 0.000 1.219 260 L CA 0.302 55.108 54.840 -0.057 0.000 0.915 260 L CB -0.022 41.961 42.059 -0.126 0.000 1.160 260 L HN 0.400 nan 8.230 nan 0.000 0.494 261 L N 4.702 125.960 121.223 0.058 0.000 2.372 261 L HA 0.301 4.641 4.340 0.001 0.000 0.273 261 L C -0.230 176.762 176.870 0.203 0.000 0.989 261 L CA -0.190 54.724 54.840 0.122 0.000 0.841 261 L CB 1.172 43.313 42.059 0.138 0.000 1.225 261 L HN 0.439 nan 8.230 nan 0.000 0.414 262 H N 5.790 124.922 119.070 0.102 0.000 2.872 262 H HA 0.255 4.812 4.556 0.001 0.000 0.273 262 H C -1.099 174.414 175.328 0.308 0.000 1.205 262 H CA -0.267 55.871 56.048 0.150 0.000 1.342 262 H CB 0.662 30.555 29.762 0.218 0.000 1.469 262 H HN 0.628 nan 8.280 nan 0.000 0.487 263 K N 4.915 125.479 120.400 0.275 0.000 2.425 263 K HA 0.220 4.541 4.320 0.001 0.000 0.259 263 K C -0.882 175.756 176.600 0.062 0.000 0.978 263 K CA -0.588 55.800 56.287 0.169 0.000 0.883 263 K CB 0.869 33.463 32.500 0.156 0.000 1.110 263 K HN 0.637 nan 8.250 nan 0.000 0.436 264 T N -0.624 113.965 114.554 0.059 0.000 2.950 264 T HA 0.497 4.848 4.350 0.001 0.000 0.288 264 T C -0.240 174.498 174.700 0.063 0.000 1.035 264 T CA -0.810 61.310 62.100 0.034 0.000 1.028 264 T CB 1.668 70.571 68.868 0.058 0.000 1.109 264 T HN 0.158 nan 8.240 nan 0.000 0.514 265 V N 2.197 122.146 119.914 0.058 0.000 2.398 265 V HA 0.397 4.518 4.120 0.001 0.000 0.286 265 V C 0.194 176.327 176.094 0.065 0.000 1.026 265 V CA -0.985 61.347 62.300 0.052 0.000 0.868 265 V CB 1.093 32.935 31.823 0.032 0.000 0.982 265 V HN 0.839 nan 8.190 nan 0.000 0.443 266 I N 5.034 125.639 120.570 0.059 0.000 2.452 266 I HA 0.079 4.249 4.170 0.001 0.000 0.287 266 I C 1.125 177.269 176.117 0.046 0.000 1.079 266 I CA 0.165 61.501 61.300 0.060 0.000 1.387 266 I CB 1.330 39.362 38.000 0.055 0.000 1.404 266 I HN 0.654 nan 8.210 nan 0.000 0.522 267 V N 2.254 122.197 119.914 0.048 0.000 3.644 267 V HA 0.197 4.318 4.120 0.001 0.000 0.267 267 V C 0.408 176.517 176.094 0.025 0.000 1.277 267 V CA 0.234 62.554 62.300 0.035 0.000 1.096 267 V CB -0.214 31.633 31.823 0.039 0.000 0.828 267 V HN 0.864 nan 8.190 nan 0.000 0.446 268 Q N 0.359 120.175 119.800 0.025 0.000 2.334 268 Q HA 0.299 4.639 4.340 0.001 0.000 0.249 268 Q C 0.284 176.296 176.000 0.021 0.000 0.909 268 Q CA -0.367 55.446 55.803 0.016 0.000 0.823 268 Q CB 2.158 30.897 28.738 0.003 0.000 1.353 268 Q HN 0.235 nan 8.270 nan 0.000 0.433 269 Q N 1.707 121.519 119.800 0.021 0.000 2.119 269 Q HA 0.112 4.453 4.340 0.001 0.000 0.201 269 Q C -0.326 175.689 176.000 0.025 0.000 0.972 269 Q CA 1.306 57.124 55.803 0.026 0.000 0.847 269 Q CB 0.477 29.229 28.738 0.022 0.000 0.903 269 Q HN 0.367 nan 8.270 nan 0.000 0.433 270 S N 0.169 115.880 115.700 0.018 0.000 2.779 270 S HA 0.402 4.873 4.470 0.001 0.000 0.293 270 S C -1.375 173.231 174.600 0.009 0.000 1.150 270 S CA -0.870 57.340 58.200 0.017 0.000 1.057 270 S CB 0.439 63.649 63.200 0.016 0.000 1.021 270 S HN 0.464 nan 8.310 nan 0.000 0.485 271 N N 4.764 123.466 118.700 0.005 0.000 2.497 271 N HA 0.343 5.084 4.740 0.001 0.000 0.271 271 N C -1.690 173.822 175.510 0.003 0.000 1.142 271 N CA -1.579 51.466 53.050 -0.008 0.000 0.965 271 N CB 1.093 39.561 38.487 -0.031 0.000 1.077 271 N HN 0.227 nan 8.380 nan 0.000 0.462 272 P HA -0.157 nan 4.420 nan 0.000 0.217 272 P C 0.212 177.521 177.300 0.014 0.000 1.148 272 P CA 1.433 64.539 63.100 0.009 0.000 0.828 272 P CB 0.222 31.927 31.700 0.009 0.000 0.783 273 E N -1.174 119.035 120.200 0.015 0.000 2.122 273 E HA -0.017 4.334 4.350 0.001 0.000 0.190 273 E C 0.879 177.495 176.600 0.027 0.000 0.977 273 E CA 0.996 57.410 56.400 0.023 0.000 0.820 273 E CB -0.080 29.639 29.700 0.031 0.000 0.770 273 E HN 0.353 nan 8.360 nan 0.000 0.462 274 T N -3.915 110.655 114.554 0.027 0.000 2.926 274 T HA 0.432 4.783 4.350 0.001 0.000 0.289 274 T C 1.254 175.974 174.700 0.032 0.000 1.054 274 T CA -0.357 61.765 62.100 0.036 0.000 1.015 274 T CB 1.664 70.564 68.868 0.053 0.000 1.167 274 T HN -0.018 nan 8.240 nan 0.000 0.526 275 G N 0.706 109.528 108.800 0.035 0.000 2.485 275 G HA2 -0.062 3.899 3.960 0.001 0.000 0.221 275 G HA3 -0.062 3.899 3.960 0.001 0.000 0.221 275 G C 0.509 175.430 174.900 0.035 0.000 1.115 275 G CA 0.781 45.901 45.100 0.032 0.000 0.751 275 G HN 1.005 nan 8.290 nan 0.000 0.567 276 K N 0.462 120.887 120.400 0.043 0.000 2.166 276 K HA 0.558 4.879 4.320 0.001 0.000 0.245 276 K C -3.024 173.607 176.600 0.051 0.000 0.967 276 K CA -2.445 53.875 56.287 0.055 0.000 0.863 276 K CB 2.109 34.656 32.500 0.077 0.000 1.107 276 K HN -0.167 nan 8.250 nan 0.000 0.436 277 P HA 0.072 nan 4.420 nan 0.000 0.274 277 P C -0.685 176.663 177.300 0.080 0.000 1.237 277 P CA -0.520 62.617 63.100 0.061 0.000 0.793 277 P CB 0.814 32.555 31.700 0.068 0.000 0.977 278 V N 1.606 121.556 119.914 0.059 0.000 2.409 278 V HA 0.387 4.508 4.120 0.001 0.000 0.291 278 V C 0.476 176.636 176.094 0.109 0.000 1.020 278 V CA -0.338 62.007 62.300 0.074 0.000 0.848 278 V CB 1.265 33.062 31.823 -0.043 0.000 0.990 278 V HN 0.756 nan 8.190 nan 0.000 0.430 279 S N 5.047 120.846 115.700 0.164 0.000 2.607 279 S HA 0.817 5.287 4.470 0.001 0.000 0.303 279 S C -0.193 174.506 174.600 0.165 0.000 1.086 279 S CA -0.870 57.417 58.200 0.144 0.000 0.995 279 S CB 1.938 65.223 63.200 0.140 0.000 1.084 279 S HN 0.767 nan 8.310 nan 0.000 0.507 280 I N -1.536 119.119 120.570 0.140 0.000 3.269 280 I HA 0.475 4.646 4.170 0.001 0.000 0.287 280 I C -2.644 173.527 176.117 0.090 0.000 1.152 280 I CA -2.160 59.237 61.300 0.162 0.000 1.263 280 I CB -0.542 37.568 38.000 0.184 0.000 1.439 280 I HN 0.322 nan 8.210 nan 0.000 0.637 281 P HA 0.113 nan 4.420 nan 0.000 0.275 281 P C -0.937 176.076 177.300 -0.478 0.000 1.266 281 P CA -0.201 62.740 63.100 -0.266 0.000 0.793 281 P CB 0.256 31.666 31.700 -0.483 0.000 1.074 282 F N 1.310 120.856 119.950 -0.674 0.000 2.467 282 F HA 0.399 4.927 4.527 0.001 0.000 0.362 282 F C -0.905 174.303 175.800 -0.986 0.000 1.090 282 F CA 0.360 57.951 58.000 -0.681 0.000 1.202 282 F CB -0.350 38.330 39.000 -0.533 0.000 1.113 282 F HN 0.043 nan 8.300 nan 0.000 0.541 283 F N 3.877 123.143 119.950 -1.139 0.000 2.569 283 F HA 0.694 5.221 4.527 0.001 0.000 0.312 283 F C 0.297 175.344 175.800 -1.254 0.000 1.109 283 F CA -0.974 56.420 58.000 -1.009 0.000 0.919 283 F CB 1.878 40.580 39.000 -0.497 0.000 1.211 283 F HN 0.634 nan 8.300 nan 0.000 0.446 284 G N 1.318 109.708 108.800 -0.683 0.000 2.574 284 G HA2 0.607 4.568 3.960 0.001 0.000 0.299 284 G HA3 0.607 4.568 3.960 0.001 0.000 0.299 284 G C -2.747 172.088 174.900 -0.108 0.000 1.298 284 G CA -1.798 43.123 45.100 -0.298 0.000 0.952 284 G HN 0.304 nan 8.290 nan 0.000 0.477 285 P HA 0.055 nan 4.420 nan 0.000 0.224 285 P C -0.382 176.848 177.300 -0.118 0.000 1.157 285 P CA 0.633 63.601 63.100 -0.220 0.000 0.799 285 P CB 0.100 31.540 31.700 -0.434 0.000 0.809 286 Y N -0.657 119.772 120.300 0.216 0.000 2.320 286 Y HA 0.411 4.962 4.550 0.001 0.000 0.334 286 Y C 0.836 176.773 175.900 0.062 0.000 1.055 286 Y CA -0.674 57.425 58.100 -0.002 0.000 1.143 286 Y CB 0.553 38.820 38.460 -0.321 0.000 1.193 286 Y HN -0.373 nan 8.280 nan 0.000 0.477 287 T N 2.599 117.279 114.554 0.210 0.000 2.749 287 T HA 0.353 4.704 4.350 0.001 0.000 0.287 287 T C -0.008 174.701 174.700 0.015 0.000 0.970 287 T CA -0.895 61.360 62.100 0.259 0.000 0.980 287 T CB 0.467 69.624 68.868 0.483 0.000 0.924 287 T HN 0.714 nan 8.240 nan 0.000 0.456 288 T N 0.117 114.694 114.554 0.039 0.000 2.902 288 T HA 0.714 5.065 4.350 0.001 0.000 0.283 288 T C -0.436 174.280 174.700 0.026 0.000 1.009 288 T CA -0.754 61.347 62.100 0.002 0.000 1.051 288 T CB 1.130 70.019 68.868 0.035 0.000 0.999 288 T HN 0.271 nan 8.240 nan 0.000 0.474 289 V N 3.545 123.473 119.914 0.024 0.000 2.443 289 V HA 0.387 4.507 4.120 0.001 0.000 0.293 289 V C -0.309 175.802 176.094 0.027 0.000 1.021 289 V CA -1.119 61.193 62.300 0.019 0.000 0.848 289 V CB 0.850 32.675 31.823 0.003 0.000 0.998 289 V HN 1.048 nan 8.190 nan 0.000 0.424 290 N N 3.869 122.603 118.700 0.058 0.000 2.725 290 N HA -0.204 4.537 4.740 0.001 0.000 0.251 290 N C 1.151 176.679 175.510 0.030 0.000 1.031 290 N CA 1.615 54.692 53.050 0.045 0.000 0.720 290 N CB -1.088 37.410 38.487 0.018 0.000 0.930 290 N HN 1.605 nan 8.380 nan 0.000 0.543 291 G N -1.193 107.648 108.800 0.069 0.000 2.143 291 G HA2 -0.358 3.603 3.960 0.001 0.000 0.248 291 G HA3 -0.358 3.603 3.960 0.001 0.000 0.248 291 G C 0.003 174.909 174.900 0.011 0.000 0.991 291 G CA 0.578 45.708 45.100 0.050 0.000 0.689 291 G HN 0.619 nan 8.290 nan 0.000 0.522 292 R N -0.582 119.916 120.500 -0.004 0.000 2.575 292 R HA 0.519 4.860 4.340 0.001 0.000 0.293 292 R C 0.392 176.660 176.300 -0.053 0.000 0.983 292 R CA -1.050 55.029 56.100 -0.034 0.000 0.887 292 R CB 1.500 31.771 30.300 -0.049 0.000 1.184 292 R HN 0.225 nan 8.270 nan 0.000 0.445 293 I N 3.700 124.200 120.570 -0.117 0.000 2.668 293 I HA -0.109 4.062 4.170 0.001 0.000 0.285 293 I C 0.138 176.195 176.117 -0.100 0.000 1.168 293 I CA 0.330 61.450 61.300 -0.299 0.000 1.424 293 I CB 0.195 37.894 38.000 -0.501 0.000 1.377 293 I HN 0.643 nan 8.210 nan 0.000 0.560 294 W N 5.451 126.791 121.300 0.066 0.000 6.905 294 W HA -0.156 4.504 4.660 0.001 0.000 0.419 294 W C -2.269 174.328 176.519 0.131 0.000 1.653 294 W CA -0.879 56.496 57.345 0.049 0.000 1.131 294 W CB -2.385 26.969 29.460 -0.177 0.000 2.876 294 W HN 0.342 nan 8.180 nan 0.000 1.563 295 P HA 0.325 nan 4.420 nan 0.000 0.276 295 P C -0.413 176.996 177.300 0.182 0.000 1.261 295 P CA 0.065 63.229 63.100 0.106 0.000 0.800 295 P CB 0.995 32.662 31.700 -0.055 0.000 1.066 296 Y N -1.687 118.649 120.300 0.060 0.000 2.549 296 Y HA 0.809 5.360 4.550 0.001 0.000 0.339 296 Y C -1.128 174.682 175.900 -0.150 0.000 1.053 296 Y CA -1.858 56.184 58.100 -0.097 0.000 1.105 296 Y CB 1.030 39.446 38.460 -0.074 0.000 1.258 296 Y HN 0.523 nan 8.280 nan 0.000 0.478 297 A N 2.371 125.141 122.820 -0.083 0.000 2.335 297 A HA 0.483 4.804 4.320 0.001 0.000 0.304 297 A C -1.516 176.086 177.584 0.031 0.000 1.118 297 A CA -0.850 51.136 52.037 -0.085 0.000 0.757 297 A CB 0.535 19.427 19.000 -0.179 0.000 1.188 297 A HN 0.757 nan 8.150 nan 0.000 0.460 298 D N 1.966 122.418 120.400 0.087 0.000 2.312 298 D HA 0.433 5.073 4.640 0.001 0.000 0.252 298 D C 0.388 176.679 176.300 -0.015 0.000 1.150 298 D CA 0.432 54.457 54.000 0.042 0.000 0.870 298 D CB 1.572 42.423 40.800 0.085 0.000 1.153 298 D HN 0.553 nan 8.370 nan 0.000 0.457 299 V N -0.481 119.362 119.914 -0.118 0.000 3.141 299 V HA 0.596 4.717 4.120 0.001 0.000 0.312 299 V C -0.285 175.775 176.094 -0.058 0.000 1.157 299 V CA -1.045 61.157 62.300 -0.164 0.000 1.041 299 V CB 2.444 33.874 31.823 -0.656 0.000 1.071 299 V HN 0.149 nan 8.190 nan 0.000 0.441 300 D N 1.241 121.752 120.400 0.186 0.000 2.340 300 D HA 0.304 4.944 4.640 0.001 0.000 0.251 300 D C -0.372 176.034 176.300 0.178 0.000 1.080 300 D CA -0.009 54.094 54.000 0.172 0.000 0.971 300 D CB 1.237 42.169 40.800 0.220 0.000 1.137 300 D HN 0.920 nan 8.370 nan 0.000 0.475 301 D N -0.137 120.330 120.400 0.111 0.000 2.848 301 D HA 0.227 4.868 4.640 0.001 0.000 0.232 301 D C 0.439 176.845 176.300 0.178 0.000 1.107 301 D CA -0.444 53.632 54.000 0.126 0.000 1.020 301 D CB -0.400 40.436 40.800 0.060 0.000 1.148 301 D HN 0.321 nan 8.370 nan 0.000 0.453 302 G N -0.850 108.131 108.800 0.302 0.000 2.949 302 G HA2 0.455 4.416 3.960 0.001 0.000 0.285 302 G HA3 0.455 4.416 3.960 0.001 0.000 0.285 302 G C -1.502 173.562 174.900 0.274 0.000 1.395 302 G CA -1.311 43.931 45.100 0.236 0.000 0.901 302 G HN 0.170 nan 8.290 nan 0.000 0.519 303 W N -0.080 121.258 121.300 0.064 0.000 2.266 303 W HA 0.585 5.246 4.660 0.001 0.000 0.317 303 W C -0.727 175.697 176.519 -0.159 0.000 1.310 303 W CA 0.186 57.504 57.345 -0.046 0.000 1.207 303 W CB 0.685 30.027 29.460 -0.198 0.000 1.199 303 W HN 0.283 nan 8.180 nan 0.000 0.544 304 Y N 1.602 121.955 120.300 0.089 0.000 2.562 304 Y HA 0.509 5.059 4.550 0.001 0.000 0.343 304 Y C 0.002 175.906 175.900 0.007 0.000 1.025 304 Y CA -1.743 56.388 58.100 0.053 0.000 1.082 304 Y CB 1.954 40.476 38.460 0.103 0.000 1.264 304 Y HN 0.269 nan 8.280 nan 0.000 0.478 305 R N 2.872 123.454 120.500 0.137 0.000 2.480 305 R HA 0.682 5.022 4.340 0.001 0.000 0.306 305 R C -2.159 174.220 176.300 0.131 0.000 0.958 305 R CA -0.487 55.660 56.100 0.079 0.000 0.861 305 R CB 0.727 31.022 30.300 -0.009 0.000 1.171 305 R HN 0.755 nan 8.270 nan 0.000 0.445 306 L N 4.976 126.272 121.223 0.122 0.000 2.333 306 L HA 0.562 4.903 4.340 0.001 0.000 0.280 306 L C -0.086 176.848 176.870 0.108 0.000 1.004 306 L CA -1.162 53.759 54.840 0.136 0.000 0.820 306 L CB 1.791 43.940 42.059 0.150 0.000 1.247 306 L HN 0.462 nan 8.230 nan 0.000 0.416 307 R N 4.325 124.882 120.500 0.095 0.000 2.522 307 R HA 0.355 4.696 4.340 0.001 0.000 0.290 307 R C -0.716 175.626 176.300 0.070 0.000 1.216 307 R CA -0.481 55.663 56.100 0.074 0.000 1.250 307 R CB 0.736 31.071 30.300 0.057 0.000 1.143 307 R HN 0.481 nan 8.270 nan 0.000 0.553 308 L N 3.328 124.608 121.223 0.094 0.000 2.265 308 L HA 0.445 4.785 4.340 0.001 0.000 0.288 308 L C -0.761 176.142 176.870 0.055 0.000 1.058 308 L CA -0.361 54.533 54.840 0.090 0.000 0.809 308 L CB 1.543 43.685 42.059 0.138 0.000 1.179 308 L HN 0.186 nan 8.230 nan 0.000 0.429 309 V N 6.372 126.245 119.914 -0.068 0.000 2.789 309 V HA 0.473 4.594 4.120 0.001 0.000 0.311 309 V C -0.652 175.260 176.094 -0.303 0.000 1.073 309 V CA -0.836 61.313 62.300 -0.251 0.000 0.921 309 V CB 2.282 33.818 31.823 -0.478 0.000 1.009 309 V HN 0.892 nan 8.190 nan 0.000 0.426 310 N N 4.961 123.454 118.700 -0.346 0.000 2.439 310 N HA 0.511 5.252 4.740 0.001 0.000 0.249 310 N C 0.211 175.406 175.510 -0.525 0.000 1.003 310 N CA 0.264 53.151 53.050 -0.271 0.000 0.942 310 N CB 1.673 40.122 38.487 -0.062 0.000 1.115 310 N HN 0.837 nan 8.380 nan 0.000 0.505 311 A N 2.458 124.986 122.820 -0.487 0.000 2.460 311 A HA 0.240 4.561 4.320 0.001 0.000 0.258 311 A C 0.380 177.793 177.584 -0.286 0.000 1.300 311 A CA -0.391 51.299 52.037 -0.578 0.000 0.913 311 A CB -0.214 18.446 19.000 -0.566 0.000 1.031 311 A HN 0.531 nan 8.150 nan 0.000 0.512 312 S N 0.801 116.423 115.700 -0.129 0.000 2.585 312 S HA 0.065 4.536 4.470 0.001 0.000 0.273 312 S C 1.099 175.701 174.600 0.003 0.000 1.339 312 S CA -0.389 57.807 58.200 -0.006 0.000 1.028 312 S CB 0.578 63.853 63.200 0.126 0.000 0.906 312 S HN 0.561 nan 8.310 nan 0.000 0.528 313 N N 1.657 120.362 118.700 0.007 0.000 2.091 313 N HA -0.144 4.596 4.740 0.001 0.000 0.193 313 N C 1.126 176.608 175.510 -0.046 0.000 1.021 313 N CA 1.832 54.869 53.050 -0.022 0.000 0.862 313 N CB -0.132 38.345 38.487 -0.017 0.000 1.018 313 N HN 0.720 nan 8.380 nan 0.000 0.429 314 A N -1.542 121.224 122.820 -0.090 0.000 2.233 314 A HA 0.144 4.465 4.320 0.001 0.000 0.163 314 A C 0.596 178.164 177.584 -0.028 0.000 1.845 314 A CA -0.433 51.494 52.037 -0.184 0.000 1.390 314 A CB 0.025 18.673 19.000 -0.586 0.000 1.601 314 A HN 0.110 nan 8.150 nan 0.000 0.398 315 R N 1.307 121.807 120.500 0.000 0.000 2.484 315 R HA 0.296 4.637 4.340 0.001 0.000 0.293 315 R C -0.987 175.316 176.300 0.004 0.000 1.023 315 R CA 0.142 56.307 56.100 0.110 0.000 1.037 315 R CB -0.003 30.248 30.300 -0.082 0.000 0.951 315 R HN 0.407 nan 8.270 nan 0.000 0.418 316 I N 5.924 126.495 120.570 0.001 0.000 2.301 316 I HA 0.074 4.244 4.170 0.001 0.000 0.292 316 I C -0.458 175.608 176.117 -0.086 0.000 1.046 316 I CA -0.518 60.781 61.300 -0.001 0.000 1.282 316 I CB 0.485 38.498 38.000 0.021 0.000 1.409 316 I HN 0.532 nan 8.210 nan 0.000 0.484 317 Y N 5.071 125.375 120.300 0.006 0.000 2.393 317 Y HA 0.120 4.671 4.550 0.002 0.000 0.338 317 Y C 0.316 176.193 175.900 -0.038 0.000 1.029 317 Y CA -0.020 58.073 58.100 -0.011 0.000 1.239 317 Y CB 0.332 38.783 38.460 -0.015 0.000 1.170 317 Y HN 0.495 nan 8.280 nan 0.000 0.515 318 N N 4.640 123.395 118.700 0.091 0.000 2.678 318 N HA 0.322 5.063 4.740 0.001 0.000 0.231 318 N C -1.320 174.228 175.510 0.064 0.000 1.038 318 N CA -0.305 52.775 53.050 0.049 0.000 0.932 318 N CB 0.511 39.008 38.487 0.016 0.000 1.176 318 N HN 0.424 nan 8.380 nan 0.000 0.511 319 L N 1.952 123.209 121.223 0.058 0.000 2.305 319 L HA 0.491 4.832 4.340 0.001 0.000 0.281 319 L C -0.309 176.586 176.870 0.042 0.000 1.085 319 L CA -0.777 54.095 54.840 0.052 0.000 0.813 319 L CB 0.875 42.946 42.059 0.020 0.000 1.157 319 L HN 0.127 nan 8.230 nan 0.000 0.436 320 V N 4.173 124.010 119.914 -0.128 0.000 2.588 320 V HA 0.320 4.441 4.120 0.001 0.000 0.304 320 V C -0.327 175.406 176.094 -0.602 0.000 1.042 320 V CA -0.683 61.287 62.300 -0.550 0.000 0.877 320 V CB 2.229 33.805 31.823 -0.412 0.000 0.996 320 V HN 0.425 nan 8.190 nan 0.000 0.425 321 L N 6.956 127.539 121.223 -1.066 0.000 2.278 321 L HA 0.642 4.982 4.340 0.001 0.000 0.287 321 L C -0.266 176.351 176.870 -0.422 0.000 1.072 321 L CA 0.385 54.947 54.840 -0.463 0.000 0.819 321 L CB 0.447 42.395 42.059 -0.184 0.000 1.176 321 L HN 0.681 nan 8.230 nan 0.000 0.435 322 I N 1.029 121.471 120.570 -0.214 0.000 2.957 322 I HA 0.707 4.878 4.170 0.001 0.000 0.310 322 I C -0.820 175.250 176.117 -0.078 0.000 1.063 322 I CA -0.888 60.324 61.300 -0.148 0.000 1.033 322 I CB 2.058 39.980 38.000 -0.131 0.000 1.230 322 I HN 0.572 nan 8.210 nan 0.000 0.447 323 D N 1.891 122.254 120.400 -0.062 0.000 2.564 323 D HA 0.215 4.855 4.640 0.001 0.000 0.273 323 D C 0.519 176.791 176.300 -0.048 0.000 1.192 323 D CA -0.298 53.675 54.000 -0.045 0.000 1.080 323 D CB 0.520 41.300 40.800 -0.033 0.000 1.160 323 D HN 0.643 nan 8.370 nan 0.000 0.607 324 E N -0.907 119.266 120.200 -0.045 0.000 2.265 324 E HA -0.079 4.272 4.350 0.001 0.000 0.196 324 E C 0.412 176.993 176.600 -0.032 0.000 0.996 324 E CA 1.107 57.482 56.400 -0.042 0.000 0.832 324 E CB -0.118 29.558 29.700 -0.041 0.000 0.756 324 E HN 0.353 nan 8.360 nan 0.000 0.491 325 D N -0.182 120.199 120.400 -0.031 0.000 2.342 325 D HA 0.025 4.666 4.640 0.001 0.000 0.221 325 D C -0.444 175.838 176.300 -0.030 0.000 1.101 325 D CA 0.137 54.121 54.000 -0.027 0.000 0.837 325 D CB 0.258 41.044 40.800 -0.023 0.000 0.938 325 D HN -0.034 nan 8.370 nan 0.000 0.508 326 D N -0.258 120.120 120.400 -0.037 0.000 3.077 326 D HA -0.207 4.434 4.640 0.001 0.000 0.212 326 D C 0.358 176.627 176.300 -0.051 0.000 1.125 326 D CA 0.480 54.453 54.000 -0.045 0.000 0.970 326 D CB -1.107 39.670 40.800 -0.038 0.000 1.110 326 D HN 0.301 nan 8.370 nan 0.000 0.419 327 R N 0.727 121.200 120.500 -0.045 0.000 2.340 327 R HA 0.389 4.730 4.340 0.001 0.000 0.300 327 R C -2.516 173.748 176.300 -0.060 0.000 1.069 327 R CA -1.357 54.719 56.100 -0.040 0.000 0.984 327 R CB 0.773 31.058 30.300 -0.024 0.000 1.003 327 R HN -0.169 nan 8.270 nan 0.000 0.459 328 P HA -0.038 nan 4.420 nan 0.000 0.269 328 P C -1.149 176.148 177.300 -0.005 0.000 1.209 328 P CA -0.144 62.893 63.100 -0.106 0.000 0.776 328 P CB 0.742 32.418 31.700 -0.040 0.000 0.876 329 V N 4.994 124.921 119.914 0.022 0.000 2.334 329 V HA 0.354 4.475 4.120 0.001 0.000 0.281 329 V C -1.903 174.314 176.094 0.205 0.000 1.016 329 V CA -1.810 60.542 62.300 0.086 0.000 0.832 329 V CB 1.112 32.956 31.823 0.035 0.000 0.999 329 V HN 0.561 nan 8.190 nan 0.000 0.439 330 P HA 0.422 nan 4.420 nan 0.000 0.282 330 P C 0.696 177.973 177.300 -0.038 0.000 1.259 330 P CA 0.169 63.291 63.100 0.037 0.000 0.826 330 P CB 1.742 33.455 31.700 0.022 0.000 1.064 331 G N 0.069 108.802 108.800 -0.111 0.000 2.143 331 G HA2 -0.218 3.743 3.960 0.001 0.000 0.249 331 G HA3 -0.218 3.743 3.960 0.001 0.000 0.249 331 G C 0.419 175.218 174.900 -0.169 0.000 0.981 331 G CA 0.170 45.206 45.100 -0.106 0.000 0.665 331 G HN 0.433 nan 8.290 nan 0.000 0.528 332 V N -0.967 118.792 119.914 -0.258 0.000 3.137 332 V HA 0.266 4.387 4.120 0.001 0.000 0.236 332 V C 1.274 177.129 176.094 -0.398 0.000 1.260 332 V CA 1.135 63.261 62.300 -0.289 0.000 1.244 332 V CB 1.119 32.821 31.823 -0.201 0.000 1.016 332 V HN 0.228 nan 8.190 nan 0.000 0.477 333 V N 1.124 120.790 119.914 -0.414 0.000 2.481 333 V HA 0.496 4.617 4.120 0.001 0.000 0.286 333 V C -0.875 174.911 176.094 -0.513 0.000 1.042 333 V CA -0.418 61.689 62.300 -0.323 0.000 0.928 333 V CB 1.104 32.826 31.823 -0.168 0.000 0.986 333 V HN 0.583 nan 8.190 nan 0.000 0.462 334 H N 1.950 121.030 119.070 0.016 0.000 2.759 334 H HA 0.453 5.010 4.556 0.001 0.000 0.354 334 H C -0.553 174.805 175.328 0.050 0.000 1.074 334 H CA -0.472 55.604 56.048 0.047 0.000 1.226 334 H CB 1.468 31.315 29.762 0.142 0.000 1.648 334 H HN 0.643 nan 8.280 nan 0.000 0.529 335 Q N 3.134 123.013 119.800 0.132 0.000 2.256 335 Q HA 0.306 4.647 4.340 0.001 0.000 0.254 335 Q C 0.281 176.344 176.000 0.104 0.000 0.916 335 Q CA -0.385 55.492 55.803 0.123 0.000 0.932 335 Q CB 0.771 29.585 28.738 0.127 0.000 1.207 335 Q HN 0.891 nan 8.270 nan 0.000 0.426 336 I N 0.063 120.687 120.570 0.090 0.000 4.227 336 I HA 0.566 4.737 4.170 0.001 0.000 0.334 336 I C 0.461 176.597 176.117 0.032 0.000 1.341 336 I CA -0.375 60.958 61.300 0.055 0.000 1.123 336 I CB 1.150 39.184 38.000 0.057 0.000 1.097 336 I HN 0.467 nan 8.210 nan 0.000 0.399 337 G N 0.603 109.427 108.800 0.040 0.000 2.704 337 G HA2 0.643 4.603 3.960 0.001 0.000 0.293 337 G HA3 0.643 4.603 3.960 0.001 0.000 0.293 337 G C -1.092 173.808 174.900 0.000 0.000 1.421 337 G CA 0.067 45.184 45.100 0.028 0.000 0.870 337 G HN 0.272 nan 8.290 nan 0.000 0.492 338 S N -0.662 115.033 115.700 -0.009 0.000 2.900 338 S HA 0.526 4.996 4.470 0.001 0.000 0.320 338 S C 0.457 175.034 174.600 -0.038 0.000 1.130 338 S CA -0.258 57.883 58.200 -0.098 0.000 0.863 338 S CB 1.261 64.417 63.200 -0.074 0.000 1.295 338 S HN 0.350 nan 8.310 nan 0.000 0.596 339 D N 1.475 121.836 120.400 -0.065 0.000 2.191 339 D HA -0.085 4.556 4.640 0.001 0.000 0.190 339 D C 1.588 177.999 176.300 0.185 0.000 1.007 339 D CA 2.172 56.195 54.000 0.038 0.000 0.865 339 D CB -0.854 39.965 40.800 0.032 0.000 0.929 339 D HN 0.773 nan 8.370 nan 0.000 0.447 340 G N -1.354 107.596 108.800 0.249 0.000 3.277 340 G HA2 0.484 4.445 3.960 0.001 0.000 0.243 340 G HA3 0.484 4.445 3.960 0.001 0.000 0.243 340 G C 0.649 175.743 174.900 0.324 0.000 1.107 340 G CA 0.449 45.758 45.100 0.349 0.000 0.771 340 G HN 0.659 nan 8.290 nan 0.000 0.544 341 G N -0.252 108.692 108.800 0.240 0.000 2.280 341 G HA2 -0.030 3.931 3.960 0.001 0.000 0.277 341 G HA3 -0.030 3.931 3.960 0.001 0.000 0.277 341 G C -0.571 174.428 174.900 0.164 0.000 1.288 341 G CA -0.963 44.243 45.100 0.177 0.000 1.075 341 G HN 0.448 nan 8.290 nan 0.000 0.480 342 L N 1.131 122.434 121.223 0.133 0.000 2.578 342 L HA 0.227 4.568 4.340 0.001 0.000 0.279 342 L C 1.258 178.155 176.870 0.044 0.000 1.227 342 L CA -0.144 54.743 54.840 0.079 0.000 0.900 342 L CB 0.035 42.133 42.059 0.066 0.000 1.144 342 L HN 0.418 nan 8.230 nan 0.000 0.496 343 L N 5.587 126.784 121.223 -0.044 0.000 2.476 343 L HA 0.090 4.431 4.340 0.001 0.000 0.264 343 L C -1.012 175.693 176.870 -0.274 0.000 1.224 343 L CA -1.327 53.396 54.840 -0.195 0.000 0.821 343 L CB 0.212 42.189 42.059 -0.136 0.000 1.101 343 L HN 0.501 nan 8.230 nan 0.000 0.488 344 P HA -0.073 nan 4.420 nan 0.000 0.217 344 P C -0.129 177.064 177.300 -0.178 0.000 1.151 344 P CA 1.434 64.288 63.100 -0.409 0.000 0.828 344 P CB 0.315 31.630 31.700 -0.641 0.000 0.788 345 R N -0.931 119.470 120.500 -0.164 0.000 2.795 345 R HA 0.496 4.837 4.340 0.001 0.000 0.275 345 R C -2.795 173.471 176.300 -0.058 0.000 0.981 345 R CA -2.576 53.474 56.100 -0.085 0.000 0.917 345 R CB 1.024 31.285 30.300 -0.066 0.000 1.202 345 R HN -0.102 nan 8.270 nan 0.000 0.469 346 P HA 0.054 nan 4.420 nan 0.000 0.269 346 P C -0.751 176.572 177.300 0.037 0.000 1.215 346 P CA -0.293 62.821 63.100 0.023 0.000 0.780 346 P CB 0.595 32.316 31.700 0.036 0.000 0.898 347 V N 4.554 124.503 119.914 0.059 0.000 2.376 347 V HA 0.298 4.418 4.120 0.001 0.000 0.287 347 V C -2.213 173.897 176.094 0.027 0.000 1.015 347 V CA -2.049 60.270 62.300 0.032 0.000 0.834 347 V CB 1.439 33.269 31.823 0.012 0.000 1.001 347 V HN 0.523 nan 8.190 nan 0.000 0.428 348 P HA 0.125 nan 4.420 nan 0.000 0.268 348 P C -0.618 176.555 177.300 -0.211 0.000 1.204 348 P CA 0.092 63.128 63.100 -0.107 0.000 0.768 348 P CB 0.703 32.359 31.700 -0.073 0.000 0.842 349 V N 3.711 123.409 119.914 -0.361 0.000 2.284 349 V HA 0.172 4.293 4.120 0.001 0.000 0.274 349 V C 0.356 175.937 176.094 -0.855 0.000 1.023 349 V CA 0.064 62.020 62.300 -0.574 0.000 0.808 349 V CB 0.991 32.468 31.823 -0.577 0.000 1.035 349 V HN 0.460 nan 8.190 nan 0.000 0.445 350 D N 3.326 123.343 120.400 -0.639 0.000 2.398 350 D HA 0.208 4.849 4.640 0.001 0.000 0.210 350 D C 0.655 176.829 176.300 -0.209 0.000 1.094 350 D CA 0.028 53.796 54.000 -0.387 0.000 0.839 350 D CB 0.294 40.989 40.800 -0.176 0.000 0.963 350 D HN 0.534 nan 8.370 nan 0.000 0.506 351 F N 1.036 120.956 119.950 -0.051 0.000 3.074 351 F HA -0.269 4.258 4.527 0.001 0.000 0.287 351 F C 0.749 176.530 175.800 -0.031 0.000 0.932 351 F CA 0.164 58.140 58.000 -0.040 0.000 0.995 351 F CB -2.000 36.976 39.000 -0.041 0.000 0.966 351 F HN 0.062 nan 8.300 nan 0.000 0.721 352 D N -0.905 119.522 120.400 0.045 0.000 2.929 352 D HA 0.199 4.840 4.640 0.001 0.000 0.246 352 D C 1.244 177.557 176.300 0.022 0.000 1.237 352 D CA 0.907 54.926 54.000 0.031 0.000 1.171 352 D CB -0.095 40.706 40.800 0.002 0.000 0.933 352 D HN 0.001 nan 8.370 nan 0.000 0.216 353 D N -1.563 118.839 120.400 0.003 0.000 2.531 353 D HA 0.057 4.698 4.640 0.001 0.000 0.263 353 D C 1.875 178.172 176.300 -0.005 0.000 1.057 353 D CA 0.887 54.889 54.000 0.003 0.000 0.909 353 D CB -0.207 40.595 40.800 0.004 0.000 1.236 353 D HN 0.249 nan 8.370 nan 0.000 0.494 354 T N 0.847 115.392 114.554 -0.016 0.000 2.792 354 T HA -0.171 4.180 4.350 0.001 0.000 0.268 354 T C 0.722 175.405 174.700 -0.027 0.000 1.059 354 T CA 1.000 63.087 62.100 -0.022 0.000 1.136 354 T CB 0.208 69.056 68.868 -0.034 0.000 0.846 354 T HN -0.037 nan 8.240 nan 0.000 0.489 355 L N 0.759 121.960 121.223 -0.037 0.000 2.572 355 L HA 0.281 4.622 4.340 0.001 0.000 0.249 355 L C -2.306 174.551 176.870 -0.022 0.000 1.114 355 L CA -1.280 53.534 54.840 -0.045 0.000 0.933 355 L CB 1.665 43.666 42.059 -0.098 0.000 1.131 355 L HN -0.232 nan 8.230 nan 0.000 0.507 356 P HA 0.007 nan 4.420 nan 0.000 0.223 356 P C 0.211 177.629 177.300 0.196 0.000 1.151 356 P CA 1.015 64.174 63.100 0.098 0.000 0.787 356 P CB 0.359 32.097 31.700 0.063 0.000 0.788 357 V N -4.013 115.986 119.914 0.142 0.000 3.114 357 V HA 0.541 4.662 4.120 0.001 0.000 0.308 357 V C -0.992 175.157 176.094 0.093 0.000 1.168 357 V CA -1.717 60.693 62.300 0.184 0.000 1.015 357 V CB 2.222 34.100 31.823 0.091 0.000 1.050 357 V HN -0.214 nan 8.190 nan 0.000 0.433 358 L N 2.929 124.213 121.223 0.102 0.000 2.268 358 L HA 0.650 4.991 4.340 0.001 0.000 0.289 358 L C 0.448 177.227 176.870 -0.151 0.000 1.064 358 L CA 0.499 55.293 54.840 -0.076 0.000 0.824 358 L CB 0.939 42.924 42.059 -0.123 0.000 1.202 358 L HN 0.996 nan 8.230 nan 0.000 0.433 359 S N 4.649 120.274 115.700 -0.125 0.000 2.411 359 S HA 0.743 5.214 4.470 0.001 0.000 0.294 359 S C -0.069 174.483 174.600 -0.079 0.000 1.115 359 S CA -0.339 57.827 58.200 -0.055 0.000 1.071 359 S CB 0.268 63.483 63.200 0.024 0.000 0.967 359 S HN 0.833 nan 8.310 nan 0.000 0.488 360 A N 4.736 127.507 122.820 -0.082 0.000 2.394 360 A HA 0.761 5.082 4.320 0.001 0.000 0.333 360 A C 0.412 178.088 177.584 0.154 0.000 1.397 360 A CA -0.570 51.476 52.037 0.015 0.000 0.884 360 A CB 0.185 19.098 19.000 -0.144 0.000 1.147 360 A HN 1.105 nan 8.150 nan 0.000 0.505 361 A N 3.838 126.767 122.820 0.181 0.000 2.287 361 A HA 0.731 5.052 4.320 0.001 0.000 0.273 361 A C -2.506 175.100 177.584 0.036 0.000 1.091 361 A CA -1.618 50.481 52.037 0.103 0.000 0.817 361 A CB -0.323 18.734 19.000 0.096 0.000 1.069 361 A HN 0.537 nan 8.150 nan 0.000 0.492 362 P HA 0.187 nan 4.420 nan 0.000 0.263 362 P C 0.620 177.729 177.300 -0.318 0.000 1.175 362 P CA 2.105 65.144 63.100 -0.101 0.000 0.761 362 P CB 0.715 32.445 31.700 0.050 0.000 0.794 363 A N 2.040 124.523 122.820 -0.560 0.000 3.601 363 A HA -0.268 4.052 4.320 0.001 0.000 0.266 363 A C 0.598 177.842 177.584 -0.567 0.000 1.077 363 A CA 1.034 52.643 52.037 -0.713 0.000 1.228 363 A CB -2.436 16.008 19.000 -0.928 0.000 1.099 363 A HN 0.583 nan 8.150 nan 0.000 0.916 364 E N -0.573 119.412 120.200 -0.359 0.000 2.392 364 E HA 0.514 4.865 4.350 0.001 0.000 0.259 364 E C 0.242 176.598 176.600 -0.407 0.000 1.108 364 E CA -0.285 55.918 56.400 -0.329 0.000 0.916 364 E CB 0.405 29.995 29.700 -0.182 0.000 0.989 364 E HN 0.483 nan 8.360 nan 0.000 0.432 365 R N 1.009 121.165 120.500 -0.574 0.000 2.686 365 R HA 0.455 4.796 4.340 0.001 0.000 0.286 365 R C -1.327 174.529 176.300 -0.741 0.000 0.969 365 R CA -0.526 55.309 56.100 -0.442 0.000 0.898 365 R CB 1.192 31.362 30.300 -0.217 0.000 1.183 365 R HN 0.332 nan 8.270 nan 0.000 0.456 366 F N 0.776 120.706 119.950 -0.033 0.000 2.539 366 F HA 0.219 4.746 4.527 0.001 0.000 0.328 366 F C -0.321 175.484 175.800 0.009 0.000 1.148 366 F CA -0.949 57.049 58.000 -0.004 0.000 0.940 366 F CB 1.810 40.808 39.000 -0.004 0.000 1.194 366 F HN 0.298 nan 8.300 nan 0.000 0.438 367 D N 5.062 125.536 120.400 0.124 0.000 2.428 367 D HA 0.419 5.060 4.640 0.001 0.000 0.221 367 D C -0.948 175.422 176.300 0.117 0.000 1.123 367 D CA 0.069 54.126 54.000 0.095 0.000 0.869 367 D CB 0.548 41.380 40.800 0.053 0.000 1.032 367 D HN 0.437 nan 8.370 nan 0.000 0.506 368 L N 3.906 125.201 121.223 0.120 0.000 2.322 368 L HA 0.454 4.795 4.340 0.001 0.000 0.281 368 L C -0.019 176.916 176.870 0.108 0.000 1.014 368 L CA -0.941 53.969 54.840 0.117 0.000 0.815 368 L CB 1.839 43.958 42.059 0.100 0.000 1.247 368 L HN 0.142 nan 8.230 nan 0.000 0.421 369 L N 3.773 125.092 121.223 0.160 0.000 2.312 369 L HA 0.557 4.898 4.340 0.001 0.000 0.281 369 L C -0.551 176.437 176.870 0.196 0.000 1.070 369 L CA -0.772 54.201 54.840 0.222 0.000 0.805 369 L CB 1.868 44.123 42.059 0.326 0.000 1.174 369 L HN 0.294 nan 8.230 nan 0.000 0.434 370 V N 1.664 121.592 119.914 0.023 0.000 2.409 370 V HA 0.173 4.294 4.120 0.001 0.000 0.290 370 V C -0.636 175.068 176.094 -0.650 0.000 1.017 370 V CA -0.575 61.486 62.300 -0.398 0.000 0.841 370 V CB 1.791 33.201 31.823 -0.688 0.000 1.003 370 V HN 0.634 nan 8.190 nan 0.000 0.426 371 D N 4.083 124.013 120.400 -0.782 0.000 2.411 371 D HA 0.299 4.940 4.640 0.001 0.000 0.225 371 D C 0.055 175.924 176.300 -0.719 0.000 1.156 371 D CA -0.272 53.042 54.000 -1.143 0.000 0.874 371 D CB 0.705 40.585 40.800 -1.533 0.000 1.034 371 D HN 0.336 nan 8.370 nan 0.000 0.502 372 F N 2.319 122.064 119.950 -0.342 0.000 2.645 372 F HA 0.303 4.830 4.527 0.001 0.000 0.300 372 F C 2.085 177.785 175.800 -0.166 0.000 1.115 372 F CA -0.338 57.536 58.000 -0.210 0.000 1.355 372 F CB 0.038 38.958 39.000 -0.134 0.000 1.026 372 F HN 0.280 nan 8.300 nan 0.000 0.536 373 R N 0.410 120.857 120.500 -0.089 0.000 2.105 373 R HA -0.111 4.229 4.340 0.001 0.000 0.239 373 R C 2.012 178.311 176.300 -0.003 0.000 1.135 373 R CA 1.366 57.444 56.100 -0.036 0.000 0.967 373 R CB -0.333 29.922 30.300 -0.075 0.000 0.861 373 R HN 0.237 nan 8.270 nan 0.000 0.442 374 A N 0.041 122.848 122.820 -0.020 0.000 2.302 374 A HA 0.135 4.456 4.320 0.001 0.000 0.219 374 A C 1.118 178.706 177.584 0.007 0.000 1.243 374 A CA 0.281 52.315 52.037 -0.005 0.000 0.856 374 A CB 0.147 19.139 19.000 -0.014 0.000 0.893 374 A HN 0.182 nan 8.150 nan 0.000 0.491 375 L N -0.413 120.824 121.223 0.023 0.000 3.168 375 L HA 0.257 4.598 4.340 0.001 0.000 0.277 375 L C 1.189 178.045 176.870 -0.023 0.000 1.245 375 L CA -0.506 54.344 54.840 0.017 0.000 1.035 375 L CB 0.654 42.757 42.059 0.073 0.000 1.399 375 L HN 0.379 nan 8.230 nan 0.000 0.580 376 G N -0.776 108.014 108.800 -0.016 0.000 2.484 376 G HA2 0.325 4.286 3.960 0.001 0.000 0.235 376 G HA3 0.325 4.286 3.960 0.001 0.000 0.235 376 G C 1.146 176.021 174.900 -0.041 0.000 1.282 376 G CA 0.549 45.630 45.100 -0.031 0.000 0.857 376 G HN 0.436 nan 8.290 nan 0.000 0.571 377 G N 0.740 109.507 108.800 -0.055 0.000 2.189 377 G HA2 -0.275 3.686 3.960 0.001 0.000 0.267 377 G HA3 -0.275 3.686 3.960 0.001 0.000 0.267 377 G C 0.731 175.591 174.900 -0.067 0.000 0.975 377 G CA 0.699 45.765 45.100 -0.056 0.000 0.644 377 G HN 0.782 nan 8.290 nan 0.000 0.537 378 R N -0.446 120.006 120.500 -0.080 0.000 2.643 378 R HA 0.723 5.064 4.340 0.001 0.000 0.272 378 R C 0.125 176.359 176.300 -0.110 0.000 0.995 378 R CA -0.766 55.286 56.100 -0.080 0.000 1.032 378 R CB 0.893 31.158 30.300 -0.058 0.000 1.126 378 R HN 0.267 nan 8.270 nan 0.000 0.505 379 R N 1.036 121.475 120.500 -0.101 0.000 2.439 379 R HA 0.505 4.846 4.340 0.001 0.000 0.310 379 R C -0.652 175.588 176.300 -0.100 0.000 0.955 379 R CA -0.349 55.676 56.100 -0.126 0.000 0.853 379 R CB 1.332 31.543 30.300 -0.148 0.000 1.171 379 R HN 0.356 nan 8.270 nan 0.000 0.449 380 L N 2.580 123.761 121.223 -0.070 0.000 2.333 380 L HA 0.655 4.996 4.340 0.001 0.000 0.269 380 L C -0.120 176.743 176.870 -0.012 0.000 1.010 380 L CA -1.050 53.786 54.840 -0.006 0.000 0.818 380 L CB 2.192 44.304 42.059 0.088 0.000 1.306 380 L HN 0.400 nan 8.230 nan 0.000 0.430 381 R N 1.845 122.325 120.500 -0.033 0.000 2.480 381 R HA 0.557 4.898 4.340 0.001 0.000 0.306 381 R C -1.104 175.207 176.300 0.017 0.000 0.958 381 R CA -0.720 55.338 56.100 -0.070 0.000 0.861 381 R CB 2.061 32.300 30.300 -0.103 0.000 1.171 381 R HN 0.485 nan 8.270 nan 0.000 0.445 382 L N 4.368 125.640 121.223 0.082 0.000 2.410 382 L HA 0.280 4.621 4.340 0.001 0.000 0.273 382 L C 0.138 177.034 176.870 0.044 0.000 1.152 382 L CA -0.189 54.692 54.840 0.068 0.000 0.855 382 L CB 0.889 43.020 42.059 0.120 0.000 1.129 382 L HN 0.433 nan 8.230 nan 0.000 0.463 383 V N -0.429 119.490 119.914 0.008 0.000 3.102 383 V HA 0.539 4.660 4.120 0.001 0.000 0.312 383 V C -0.889 175.243 176.094 0.063 0.000 1.135 383 V CA -1.033 61.290 62.300 0.037 0.000 1.022 383 V CB 2.221 34.042 31.823 -0.003 0.000 1.056 383 V HN 0.590 nan 8.190 nan 0.000 0.436 384 D N 1.857 122.332 120.400 0.126 0.000 2.249 384 D HA 0.302 4.943 4.640 0.001 0.000 0.246 384 D C -0.331 175.993 176.300 0.040 0.000 1.114 384 D CA -0.055 54.031 54.000 0.143 0.000 0.854 384 D CB 1.477 42.420 40.800 0.239 0.000 1.132 384 D HN 0.830 nan 8.370 nan 0.000 0.461 385 K N 2.747 123.154 120.400 0.012 0.000 2.248 385 K HA 0.559 4.880 4.320 0.001 0.000 0.281 385 K C 0.224 176.801 176.600 -0.038 0.000 1.054 385 K CA -0.737 55.538 56.287 -0.020 0.000 0.903 385 K CB 0.895 33.383 32.500 -0.020 0.000 1.077 385 K HN 0.466 nan 8.250 nan 0.000 0.474 386 G N 3.570 112.338 108.800 -0.055 0.000 2.537 386 G HA2 0.205 4.166 3.960 0.001 0.000 0.273 386 G HA3 0.205 4.166 3.960 0.001 0.000 0.273 386 G C -1.659 173.202 174.900 -0.066 0.000 1.189 386 G CA -1.359 43.694 45.100 -0.077 0.000 0.881 386 G HN 0.563 nan 8.290 nan 0.000 0.535 387 P HA 0.008 nan 4.420 nan 0.000 0.222 387 P C 1.376 178.644 177.300 -0.053 0.000 1.153 387 P CA 1.178 64.243 63.100 -0.060 0.000 0.798 387 P CB 0.360 32.020 31.700 -0.068 0.000 0.796 388 G N -1.158 107.606 108.800 -0.061 0.000 3.189 388 G HA2 0.469 4.430 3.960 0.001 0.000 0.225 388 G HA3 0.469 4.430 3.960 0.001 0.000 0.225 388 G C 0.261 175.131 174.900 -0.049 0.000 1.159 388 G CA 0.401 45.469 45.100 -0.054 0.000 0.763 388 G HN 0.521 nan 8.290 nan 0.000 0.549 389 A N -0.187 122.603 122.820 -0.049 0.000 2.594 389 A HA 0.783 5.104 4.320 0.001 0.000 0.295 389 A C -3.080 174.480 177.584 -0.041 0.000 1.071 389 A CA -1.196 50.814 52.037 -0.045 0.000 0.685 389 A CB 1.373 20.341 19.000 -0.053 0.000 1.285 389 A HN -0.016 nan 8.150 nan 0.000 0.405 390 P HA 0.360 nan 4.420 nan 0.000 0.270 390 P C 0.098 177.373 177.300 -0.041 0.000 1.223 390 P CA 0.208 63.288 63.100 -0.034 0.000 0.785 390 P CB 0.518 32.199 31.700 -0.031 0.000 0.923 391 A N 1.945 124.737 122.820 -0.046 0.000 2.567 391 A HA 0.366 4.687 4.320 0.001 0.000 0.240 391 A C 1.556 179.106 177.584 -0.057 0.000 1.053 391 A CA 1.003 53.004 52.037 -0.060 0.000 0.755 391 A CB -1.588 17.357 19.000 -0.092 0.000 0.978 391 A HN 0.882 nan 8.150 nan 0.000 0.507 392 G N 1.972 110.743 108.800 -0.050 0.000 2.234 392 G HA2 -0.192 3.769 3.960 0.001 0.000 0.235 392 G HA3 -0.192 3.769 3.960 0.001 0.000 0.235 392 G C 0.415 175.291 174.900 -0.040 0.000 0.997 392 G CA 0.421 45.496 45.100 -0.041 0.000 0.623 392 G HN 1.287 nan 8.290 nan 0.000 0.514 393 T N 3.819 118.347 114.554 -0.043 0.000 2.767 393 T HA 0.566 4.917 4.350 0.001 0.000 0.284 393 T C -2.288 172.379 174.700 -0.056 0.000 0.973 393 T CA -0.878 61.194 62.100 -0.046 0.000 0.996 393 T CB 2.128 70.970 68.868 -0.043 0.000 0.927 393 T HN 0.075 nan 8.240 nan 0.000 0.456 394 P HA 0.085 nan 4.420 nan 0.000 0.264 394 P C -0.275 176.967 177.300 -0.098 0.000 1.179 394 P CA 0.272 63.317 63.100 -0.092 0.000 0.763 394 P CB 0.364 32.003 31.700 -0.102 0.000 0.806 395 D N 3.166 123.495 120.400 -0.119 0.000 2.945 395 D HA 0.137 4.778 4.640 0.001 0.000 0.340 395 D C -1.714 174.501 176.300 -0.142 0.000 1.240 395 D CA -1.739 52.193 54.000 -0.114 0.000 0.749 395 D CB 0.203 40.944 40.800 -0.098 0.000 1.217 395 D HN 0.060 nan 8.370 nan 0.000 0.514 396 P HA -0.144 nan 4.420 nan 0.000 0.217 396 P C 1.789 178.996 177.300 -0.156 0.000 1.148 396 P CA 0.578 63.566 63.100 -0.187 0.000 0.828 396 P CB 0.625 32.207 31.700 -0.197 0.000 0.783 397 L N -0.924 120.222 121.223 -0.128 0.000 2.201 397 L HA 0.009 4.350 4.340 0.001 0.000 0.212 397 L C 2.386 179.179 176.870 -0.128 0.000 1.105 397 L CA 1.447 56.218 54.840 -0.115 0.000 0.775 397 L CB -0.959 41.046 42.059 -0.091 0.000 0.913 397 L HN 0.045 nan 8.230 nan 0.000 0.440 398 G N -1.897 106.822 108.800 -0.135 0.000 3.233 398 G HA2 0.295 4.255 3.960 0.001 0.000 0.227 398 G HA3 0.295 4.255 3.960 0.001 0.000 0.227 398 G C 1.123 175.907 174.900 -0.194 0.000 1.175 398 G CA 0.395 45.407 45.100 -0.148 0.000 0.781 398 G HN 0.449 nan 8.290 nan 0.000 0.542 399 G N -1.155 107.519 108.800 -0.210 0.000 2.141 399 G HA2 -0.220 3.741 3.960 0.001 0.000 0.242 399 G HA3 -0.220 3.741 3.960 0.001 0.000 0.242 399 G C 0.160 174.926 174.900 -0.223 0.000 0.982 399 G CA 0.194 45.140 45.100 -0.257 0.000 0.662 399 G HN 0.907 nan 8.290 nan 0.000 0.527 400 V N 0.998 120.801 119.914 -0.186 0.000 2.405 400 V HA 0.335 4.455 4.120 0.001 0.000 0.253 400 V C 1.449 177.438 176.094 -0.174 0.000 0.963 400 V CA 0.319 62.529 62.300 -0.149 0.000 1.003 400 V CB 0.720 32.478 31.823 -0.108 0.000 1.251 400 V HN 0.460 nan 8.190 nan 0.000 0.520 401 R N 1.944 122.284 120.500 -0.268 0.000 2.120 401 R HA -0.045 4.296 4.340 0.001 0.000 0.234 401 R C -0.219 175.779 176.300 -0.503 0.000 1.123 401 R CA 1.512 57.334 56.100 -0.463 0.000 0.975 401 R CB 0.134 30.032 30.300 -0.670 0.000 0.866 401 R HN 0.555 nan 8.270 nan 0.000 0.446 402 Y N -0.511 119.751 120.300 -0.064 0.000 2.526 402 Y HA 0.347 4.898 4.550 0.001 0.000 0.328 402 Y C -1.924 173.926 175.900 -0.083 0.000 0.995 402 Y CA -2.729 55.312 58.100 -0.097 0.000 1.304 402 Y CB 2.192 40.666 38.460 0.024 0.000 1.096 402 Y HN 0.054 nan 8.280 nan 0.000 0.499 403 P HA -0.149 nan 4.420 nan 0.000 0.220 403 P C -0.092 177.220 177.300 0.021 0.000 1.148 403 P CA 1.049 64.160 63.100 0.018 0.000 0.803 403 P CB 0.205 31.893 31.700 -0.020 0.000 0.782 404 E N 0.075 120.179 120.200 -0.160 0.000 2.415 404 E HA 0.004 4.355 4.350 0.001 0.000 0.263 404 E C 0.619 177.261 176.600 0.070 0.000 0.995 404 E CA 0.121 56.414 56.400 -0.178 0.000 0.915 404 E CB 0.975 30.297 29.700 -0.630 0.000 0.951 404 E HN -0.007 nan 8.360 nan 0.000 0.449 405 V N 2.828 122.869 119.914 0.211 0.000 2.735 405 V HA 0.166 4.287 4.120 0.001 0.000 0.234 405 V C 0.828 177.114 176.094 0.319 0.000 1.121 405 V CA 1.502 63.956 62.300 0.257 0.000 1.160 405 V CB -0.134 31.741 31.823 0.087 0.000 0.908 405 V HN 0.873 nan 8.190 nan 0.000 0.495 406 M N -0.698 119.036 119.600 0.224 0.000 2.732 406 M HA 0.605 5.086 4.480 0.001 0.000 0.272 406 M C -1.403 174.754 176.300 -0.238 0.000 1.203 406 M CA -0.553 54.822 55.300 0.125 0.000 0.841 406 M CB 2.662 35.182 32.600 -0.134 0.000 1.685 406 M HN 0.081 nan 8.290 nan 0.000 0.492 407 E N 1.475 121.347 120.200 -0.547 0.000 2.171 407 E HA 0.614 4.965 4.350 0.001 0.000 0.271 407 E C -2.038 174.204 176.600 -0.595 0.000 0.916 407 E CA -0.639 55.302 56.400 -0.764 0.000 0.774 407 E CB 1.488 30.425 29.700 -1.272 0.000 1.128 407 E HN 0.579 nan 8.360 nan 0.000 0.403 408 F N 2.974 122.782 119.950 -0.237 0.000 2.408 408 F HA 0.438 4.966 4.527 0.001 0.000 0.344 408 F C 0.476 176.090 175.800 -0.310 0.000 1.112 408 F CA -0.735 57.107 58.000 -0.262 0.000 1.096 408 F CB 1.305 40.112 39.000 -0.322 0.000 1.129 408 F HN 0.245 nan 8.300 nan 0.000 0.486 409 R N 2.590 123.013 120.500 -0.128 0.000 2.288 409 R HA 0.533 4.874 4.340 0.001 0.000 0.326 409 R C -1.388 174.787 176.300 -0.209 0.000 0.959 409 R CA -0.717 55.283 56.100 -0.166 0.000 0.834 409 R CB 1.569 31.781 30.300 -0.148 0.000 1.157 409 R HN 0.399 nan 8.270 nan 0.000 0.470 410 V N 4.064 123.828 119.914 -0.250 0.000 2.385 410 V HA 0.269 4.390 4.120 0.001 0.000 0.269 410 V C 0.649 176.657 176.094 -0.144 0.000 1.043 410 V CA -0.649 61.483 62.300 -0.281 0.000 0.906 410 V CB 1.007 32.620 31.823 -0.350 0.000 0.995 410 V HN 0.596 nan 8.190 nan 0.000 0.467 411 R N 3.607 124.048 120.500 -0.098 0.000 2.340 411 R HA 0.230 4.571 4.340 0.001 0.000 0.300 411 R C 0.090 176.376 176.300 -0.024 0.000 1.069 411 R CA -0.396 55.676 56.100 -0.046 0.000 0.984 411 R CB 0.806 31.096 30.300 -0.017 0.000 1.003 411 R HN 0.875 nan 8.270 nan 0.000 0.459 412 E N 2.424 122.613 120.200 -0.019 0.000 2.324 412 E HA 0.072 4.422 4.350 0.001 0.000 0.271 412 E C -0.911 175.695 176.600 0.011 0.000 1.028 412 E CA 0.190 56.588 56.400 -0.003 0.000 0.890 412 E CB 0.856 30.552 29.700 -0.007 0.000 1.004 412 E HN 0.496 nan 8.360 nan 0.000 0.431 413 T N 2.955 117.523 114.554 0.023 0.000 2.910 413 T HA 0.186 4.536 4.350 0.001 0.000 0.287 413 T C 0.575 175.292 174.700 0.029 0.000 1.050 413 T CA -0.824 61.294 62.100 0.030 0.000 1.011 413 T CB 1.199 70.094 68.868 0.044 0.000 1.195 413 T HN 0.647 nan 8.240 nan 0.000 0.540 414 C N 0.445 119.762 119.300 0.029 0.000 2.485 414 C HA 0.135 4.596 4.460 0.001 0.000 0.277 414 C C 1.297 176.309 174.990 0.036 0.000 1.376 414 C CA 0.098 59.132 59.018 0.028 0.000 1.759 414 C CB -0.932 26.823 27.740 0.024 0.000 1.970 414 C HN 0.790 nan 8.230 nan 0.000 0.509 415 E N 1.744 121.970 120.200 0.043 0.000 2.413 415 E HA 0.031 4.381 4.350 0.001 0.000 0.263 415 E C 0.028 176.665 176.600 0.062 0.000 1.015 415 E CA 0.482 56.913 56.400 0.051 0.000 0.916 415 E CB 0.369 30.103 29.700 0.056 0.000 0.947 415 E HN 0.413 nan 8.360 nan 0.000 0.440 416 E N 2.507 122.745 120.200 0.063 0.000 2.130 416 E HA 0.059 4.410 4.350 0.001 0.000 0.284 416 E C -0.975 175.686 176.600 0.102 0.000 1.018 416 E CA -0.320 56.126 56.400 0.077 0.000 0.817 416 E CB 1.065 30.802 29.700 0.061 0.000 1.078 416 E HN 0.339 nan 8.360 nan 0.000 0.396 417 D N 1.925 122.413 120.400 0.146 0.000 2.373 417 D HA 0.069 4.710 4.640 0.001 0.000 0.227 417 D C -0.024 176.426 176.300 0.250 0.000 1.091 417 D CA -0.374 53.754 54.000 0.212 0.000 0.840 417 D CB 0.771 41.749 40.800 0.296 0.000 1.060 417 D HN 0.243 nan 8.370 nan 0.000 0.502 418 S N 3.765 119.572 115.700 0.177 0.000 2.526 418 S HA 0.162 4.632 4.470 0.001 0.000 0.245 418 S C 0.326 174.962 174.600 0.060 0.000 1.103 418 S CA -0.874 57.399 58.200 0.123 0.000 1.095 418 S CB -0.674 62.561 63.200 0.058 0.000 0.826 418 S HN 0.330 nan 8.310 nan 0.000 0.468 419 F N 3.087 122.990 119.950 -0.078 0.000 2.572 419 F HA 0.502 5.029 4.527 0.001 0.000 0.370 419 F C 0.239 175.806 175.800 -0.388 0.000 1.103 419 F CA -0.577 57.230 58.000 -0.322 0.000 1.286 419 F CB 0.187 38.814 39.000 -0.622 0.000 1.105 419 F HN 0.387 nan 8.300 nan 0.000 0.583 420 A N 7.186 129.270 122.820 -1.227 0.000 2.318 420 A HA 0.625 4.945 4.320 0.001 0.000 0.324 420 A C -1.708 175.104 177.584 -1.287 0.000 1.170 420 A CA -0.763 50.711 52.037 -0.938 0.000 0.810 420 A CB 1.096 19.801 19.000 -0.492 0.000 1.198 420 A HN 0.809 nan 8.150 nan 0.000 0.484 421 L N 5.273 125.975 121.223 -0.868 0.000 2.276 421 L HA 0.586 4.927 4.340 0.001 0.000 0.286 421 L C -1.976 174.696 176.870 -0.330 0.000 1.024 421 L CA -1.546 52.928 54.840 -0.609 0.000 0.826 421 L CB 0.916 42.692 42.059 -0.471 0.000 1.211 421 L HN 0.581 nan 8.230 nan 0.000 0.422 422 P HA 0.256 nan 4.420 nan 0.000 0.276 422 P C -0.042 177.192 177.300 -0.110 0.000 1.252 422 P CA -0.359 62.643 63.100 -0.164 0.000 0.802 422 P CB 0.983 32.601 31.700 -0.137 0.000 1.035 423 E N -0.300 119.854 120.200 -0.078 0.000 2.107 423 E HA 0.008 4.359 4.350 0.001 0.000 0.191 423 E C 0.325 176.899 176.600 -0.044 0.000 0.982 423 E CA 0.954 57.324 56.400 -0.050 0.000 0.809 423 E CB -0.116 29.562 29.700 -0.037 0.000 0.756 423 E HN 0.203 nan 8.360 nan 0.000 0.459 424 V N 2.311 122.199 119.914 -0.043 0.000 2.394 424 V HA 0.113 4.234 4.120 0.001 0.000 0.282 424 V C 1.296 177.365 176.094 -0.040 0.000 1.031 424 V CA -0.090 62.189 62.300 -0.035 0.000 0.881 424 V CB 1.834 33.646 31.823 -0.019 0.000 0.982 424 V HN 0.102 nan 8.190 nan 0.000 0.451 425 L N 2.733 123.933 121.223 -0.038 0.000 2.200 425 L HA 0.229 4.570 4.340 0.001 0.000 0.200 425 L C 1.165 178.030 176.870 -0.007 0.000 1.072 425 L CA 0.855 55.676 54.840 -0.032 0.000 0.787 425 L CB 0.604 42.643 42.059 -0.032 0.000 0.957 425 L HN 0.688 nan 8.230 nan 0.000 0.459 426 S N -1.126 114.582 115.700 0.013 0.000 2.473 426 S HA 0.465 4.936 4.470 0.001 0.000 0.307 426 S C 0.626 175.276 174.600 0.084 0.000 1.094 426 S CA -0.339 57.896 58.200 0.058 0.000 1.070 426 S CB 1.828 65.091 63.200 0.106 0.000 1.019 426 S HN 0.265 nan 8.310 nan 0.000 0.480 427 G N 2.083 110.923 108.800 0.065 0.000 2.744 427 G HA2 -0.003 3.958 3.960 0.001 0.000 0.211 427 G HA3 -0.003 3.958 3.960 0.001 0.000 0.211 427 G C 1.392 176.336 174.900 0.073 0.000 1.146 427 G CA 0.586 45.723 45.100 0.061 0.000 0.787 427 G HN 0.899 nan 8.290 nan 0.000 0.534 428 S N -0.030 115.723 115.700 0.087 0.000 2.436 428 S HA 0.160 4.631 4.470 0.001 0.000 0.228 428 S C 0.910 175.572 174.600 0.103 0.000 1.014 428 S CA -0.528 57.716 58.200 0.073 0.000 0.950 428 S CB -0.377 62.859 63.200 0.060 0.000 0.784 428 S HN 0.128 nan 8.310 nan 0.000 0.504 429 F N 4.600 124.574 119.950 0.041 0.000 2.612 429 F HA 0.272 4.799 4.527 0.001 0.000 0.389 429 F C 0.483 176.293 175.800 0.016 0.000 1.055 429 F CA -0.144 57.880 58.000 0.039 0.000 1.232 429 F CB 0.416 39.409 39.000 -0.012 0.000 1.044 429 F HN 0.053 nan 8.300 nan 0.000 0.560 430 R N 5.133 125.125 120.500 -0.848 0.000 2.513 430 R HA 0.282 4.622 4.340 0.001 0.000 0.301 430 R C -0.718 175.025 176.300 -0.929 0.000 0.968 430 R CA -1.364 54.373 56.100 -0.604 0.000 0.872 430 R CB 1.448 31.578 30.300 -0.284 0.000 1.177 430 R HN 0.600 nan 8.270 nan 0.000 0.444 431 R N 2.412 122.640 120.500 -0.453 0.000 2.502 431 R HA 0.047 4.388 4.340 0.001 0.000 0.292 431 R C 0.268 176.477 176.300 -0.153 0.000 0.998 431 R CA 0.394 56.399 56.100 -0.158 0.000 1.056 431 R CB 0.356 30.711 30.300 0.091 0.000 0.939 431 R HN 0.466 nan 8.270 nan 0.000 0.411 432 M N 3.110 122.648 119.600 -0.104 0.000 2.246 432 M HA 0.007 4.488 4.480 0.001 0.000 0.350 432 M C 0.082 176.364 176.300 -0.030 0.000 1.406 432 M CA 0.652 55.916 55.300 -0.061 0.000 1.089 432 M CB 0.919 33.511 32.600 -0.013 0.000 1.782 432 M HN 0.642 nan 8.290 nan 0.000 0.457 433 S N 2.636 118.304 115.700 -0.053 0.000 2.462 433 S HA 0.159 4.629 4.470 0.001 0.000 0.294 433 S C 1.126 175.716 174.600 -0.017 0.000 1.144 433 S CA -0.539 57.650 58.200 -0.018 0.000 1.088 433 S CB 0.527 63.710 63.200 -0.029 0.000 1.009 433 S HN 0.793 nan 8.310 nan 0.000 0.484 434 H N 3.173 122.208 119.070 -0.058 0.000 2.518 434 H HA -0.088 4.468 4.556 0.001 0.000 0.292 434 H C 0.280 175.649 175.328 0.068 0.000 1.068 434 H CA 1.504 57.528 56.048 -0.041 0.000 1.275 434 H CB 0.295 30.064 29.762 0.012 0.000 1.375 434 H HN 0.666 nan 8.280 nan 0.000 0.563 435 D N 0.533 120.921 120.400 -0.020 0.000 2.312 435 D HA -0.001 4.640 4.640 0.001 0.000 0.211 435 D C 0.756 177.014 176.300 -0.069 0.000 0.964 435 D CA 0.304 54.278 54.000 -0.045 0.000 0.877 435 D CB 0.127 40.918 40.800 -0.016 0.000 0.924 435 D HN 0.400 nan 8.370 nan 0.000 0.515 436 I N 2.806 123.314 120.570 -0.104 0.000 2.556 436 I HA 0.047 4.218 4.170 0.001 0.000 0.284 436 I C -1.953 174.144 176.117 -0.034 0.000 1.114 436 I CA -1.738 59.468 61.300 -0.157 0.000 1.418 436 I CB 0.599 38.359 38.000 -0.400 0.000 1.394 436 I HN -0.214 nan 8.210 nan 0.000 0.552 437 P HA 0.087 nan 4.420 nan 0.000 0.268 437 P C -1.082 176.255 177.300 0.062 0.000 1.205 437 P CA 0.440 63.523 63.100 -0.027 0.000 0.771 437 P CB 0.463 32.143 31.700 -0.034 0.000 0.858 438 H N -0.425 118.609 119.070 -0.060 0.000 3.042 438 H HA 0.565 5.121 4.556 0.001 0.000 0.346 438 H C -0.535 174.748 175.328 -0.075 0.000 1.294 438 H CA -1.039 54.984 56.048 -0.041 0.000 1.141 438 H CB 0.629 30.339 29.762 -0.086 0.000 1.872 438 H HN 0.531 nan 8.280 nan 0.000 0.541 439 G N 0.079 108.884 108.800 0.008 0.000 2.557 439 G HA2 0.435 4.396 3.960 0.001 0.000 0.292 439 G HA3 0.435 4.396 3.960 0.001 0.000 0.292 439 G C -1.188 173.635 174.900 -0.129 0.000 1.237 439 G CA -0.427 44.661 45.100 -0.019 0.000 0.978 439 G HN 0.678 nan 8.290 nan 0.000 0.498 440 H N -0.618 118.465 119.070 0.022 0.000 2.679 440 H HA 0.603 5.160 4.556 0.001 0.000 0.360 440 H C -0.216 174.973 175.328 -0.232 0.000 1.105 440 H CA -0.754 55.295 56.048 0.002 0.000 1.196 440 H CB 1.783 31.569 29.762 0.040 0.000 1.636 440 H HN 0.219 nan 8.280 nan 0.000 0.531 441 R N 1.746 122.058 120.500 -0.313 0.000 2.740 441 R HA 0.441 4.782 4.340 0.001 0.000 0.282 441 R C -1.229 174.826 176.300 -0.409 0.000 0.969 441 R CA -1.237 54.473 56.100 -0.650 0.000 0.918 441 R CB 2.352 31.693 30.300 -1.597 0.000 1.175 441 R HN 0.439 nan 8.270 nan 0.000 0.464 442 L N 3.121 124.157 121.223 -0.312 0.000 2.298 442 L HA 0.516 4.857 4.340 0.001 0.000 0.284 442 L C -1.205 175.555 176.870 -0.183 0.000 1.013 442 L CA -0.561 54.113 54.840 -0.278 0.000 0.824 442 L CB 1.036 42.880 42.059 -0.359 0.000 1.221 442 L HN 0.481 nan 8.230 nan 0.000 0.418 443 I N 6.016 126.472 120.570 -0.190 0.000 2.382 443 I HA 0.407 4.578 4.170 0.001 0.000 0.286 443 I C -0.302 175.830 176.117 0.025 0.000 1.002 443 I CA -0.416 60.880 61.300 -0.006 0.000 1.135 443 I CB 1.816 39.859 38.000 0.072 0.000 1.288 443 I HN 0.202 nan 8.210 nan 0.000 0.448 444 V N 6.986 126.923 119.914 0.038 0.000 2.481 444 V HA 0.418 4.538 4.120 0.001 0.000 0.286 444 V C 0.072 176.106 176.094 -0.101 0.000 1.042 444 V CA -0.640 61.612 62.300 -0.079 0.000 0.928 444 V CB 1.629 33.380 31.823 -0.120 0.000 0.986 444 V HN 0.436 nan 8.190 nan 0.000 0.462 445 L N 5.238 126.356 121.223 -0.176 0.000 2.272 445 L HA 0.506 4.847 4.340 0.001 0.000 0.289 445 L C 0.473 177.103 176.870 -0.401 0.000 1.032 445 L CA -0.380 54.309 54.840 -0.251 0.000 0.810 445 L CB 1.657 43.594 42.059 -0.203 0.000 1.205 445 L HN 0.744 nan 8.230 nan 0.000 0.422 446 T N 0.716 114.954 114.554 -0.527 0.000 2.928 446 T HA 0.552 4.902 4.350 0.001 0.000 0.284 446 T C -2.552 171.982 174.700 -0.277 0.000 1.008 446 T CA -2.156 59.569 62.100 -0.625 0.000 1.057 446 T CB 1.517 69.826 68.868 -0.931 0.000 1.018 446 T HN 0.201 nan 8.240 nan 0.000 0.493 447 P HA 0.244 nan 4.420 nan 0.000 0.272 447 P C -1.973 175.331 177.300 0.007 0.000 1.230 447 P CA -1.613 61.471 63.100 -0.025 0.000 0.788 447 P CB -0.156 31.564 31.700 0.033 0.000 0.949 448 P HA -0.103 nan 4.420 nan 0.000 0.217 448 P C 1.407 178.727 177.300 0.034 0.000 1.150 448 P CA 1.743 64.861 63.100 0.030 0.000 0.832 448 P CB -0.428 31.291 31.700 0.031 0.000 0.787 449 G N -1.053 107.773 108.800 0.042 0.000 2.776 449 G HA2 -0.078 3.882 3.960 0.001 0.000 0.209 449 G HA3 -0.078 3.882 3.960 0.001 0.000 0.209 449 G C 0.301 175.242 174.900 0.068 0.000 1.145 449 G CA 0.187 45.312 45.100 0.042 0.000 0.791 449 G HN 0.208 nan 8.290 nan 0.000 0.530 450 T N 0.596 115.213 114.554 0.105 0.000 2.930 450 T HA 0.169 4.520 4.350 0.001 0.000 0.306 450 T C 0.577 175.379 174.700 0.171 0.000 1.045 450 T CA -0.190 62.011 62.100 0.167 0.000 1.134 450 T CB 1.382 70.388 68.868 0.230 0.000 0.961 450 T HN 0.333 nan 8.240 nan 0.000 0.545 451 K N 1.436 121.934 120.400 0.164 0.000 2.484 451 K HA 0.229 4.549 4.320 0.001 0.000 0.280 451 K C 1.323 178.029 176.600 0.176 0.000 1.013 451 K CA 0.849 57.216 56.287 0.134 0.000 1.029 451 K CB -0.390 32.169 32.500 0.097 0.000 0.902 451 K HN 0.873 nan 8.250 nan 0.000 0.481 452 G N 2.169 111.044 108.800 0.125 0.000 2.176 452 G HA2 -0.329 3.632 3.960 0.001 0.000 0.253 452 G HA3 -0.329 3.632 3.960 0.001 0.000 0.253 452 G C 0.609 175.596 174.900 0.146 0.000 0.979 452 G CA 0.631 45.801 45.100 0.117 0.000 0.641 452 G HN 0.817 nan 8.290 nan 0.000 0.530 453 S N 0.008 115.812 115.700 0.172 0.000 2.575 453 S HA 0.422 4.893 4.470 0.001 0.000 0.215 453 S C 2.171 176.862 174.600 0.152 0.000 0.966 453 S CA 1.336 59.653 58.200 0.194 0.000 0.911 453 S CB 0.204 63.530 63.200 0.210 0.000 0.780 453 S HN 2.320 nan 8.310 nan 0.000 0.514 454 G N 0.928 109.781 108.800 0.088 0.000 2.166 454 G HA2 -0.018 3.943 3.960 0.001 0.000 0.260 454 G HA3 -0.018 3.943 3.960 0.001 0.000 0.260 454 G C 1.127 175.926 174.900 -0.169 0.000 0.986 454 G CA 0.396 45.509 45.100 0.022 0.000 0.683 454 G HN 1.903 nan 8.290 nan 0.000 0.527 455 G N -1.649 107.079 108.800 -0.120 0.000 2.143 455 G HA2 -0.241 3.720 3.960 0.001 0.000 0.249 455 G HA3 -0.241 3.720 3.960 0.001 0.000 0.249 455 G C 0.136 174.878 174.900 -0.264 0.000 0.981 455 G CA 0.782 45.774 45.100 -0.179 0.000 0.665 455 G HN 1.316 nan 8.290 nan 0.000 0.528 456 H N 0.763 119.866 119.070 0.055 0.000 2.479 456 H HA 0.429 4.985 4.556 0.001 0.000 0.335 456 H C -2.146 173.179 175.328 -0.006 0.000 1.142 456 H CA -1.555 54.507 56.048 0.023 0.000 1.234 456 H CB 1.626 31.408 29.762 0.032 0.000 1.503 456 H HN 0.167 nan 8.280 nan 0.000 0.510 457 P HA 0.075 nan 4.420 nan 0.000 0.270 457 P C -0.428 176.857 177.300 -0.024 0.000 1.223 457 P CA 0.090 63.166 63.100 -0.039 0.000 0.785 457 P CB 1.471 33.109 31.700 -0.102 0.000 0.923 458 E N 0.390 120.557 120.200 -0.055 0.000 2.408 458 E HA 0.482 4.833 4.350 0.001 0.000 0.275 458 E C -0.643 175.967 176.600 0.017 0.000 0.935 458 E CA -0.973 55.459 56.400 0.053 0.000 0.775 458 E CB 1.855 31.721 29.700 0.277 0.000 1.277 458 E HN 0.336 nan 8.360 nan 0.000 0.455 459 I N 1.691 122.349 120.570 0.146 0.000 2.365 459 I HA 0.201 4.372 4.170 0.001 0.000 0.291 459 I C -0.950 175.420 176.117 0.420 0.000 1.004 459 I CA -0.193 61.231 61.300 0.206 0.000 1.311 459 I CB 0.526 38.647 38.000 0.202 0.000 1.401 459 I HN 0.266 nan 8.210 nan 0.000 0.491 460 W N 5.372 126.693 121.300 0.034 0.000 2.411 460 W HA 0.418 5.079 4.660 0.001 0.000 0.317 460 W C -0.091 176.447 176.519 0.031 0.000 1.030 460 W CA -0.977 56.381 57.345 0.022 0.000 1.239 460 W CB 0.823 30.287 29.460 0.006 0.000 1.304 460 W HN 0.378 nan 8.180 nan 0.000 0.437 461 E N 3.084 123.396 120.200 0.187 0.000 2.289 461 E HA 0.326 4.676 4.350 0.001 0.000 0.278 461 E C -0.019 176.656 176.600 0.125 0.000 1.032 461 E CA -0.165 56.314 56.400 0.132 0.000 0.854 461 E CB 0.796 30.496 29.700 -0.001 0.000 1.046 461 E HN 0.056 nan 8.360 nan 0.000 0.409 462 M N 1.830 121.506 119.600 0.127 0.000 2.456 462 M HA 0.529 5.010 4.480 0.001 0.000 0.324 462 M C -0.685 175.704 176.300 0.148 0.000 1.124 462 M CA -0.935 54.441 55.300 0.125 0.000 0.959 462 M CB 1.602 34.236 32.600 0.057 0.000 1.692 462 M HN 0.475 nan 8.290 nan 0.000 0.444 463 A N 1.898 124.824 122.820 0.177 0.000 2.331 463 A HA 0.576 4.897 4.320 0.001 0.000 0.320 463 A C -0.305 177.408 177.584 0.216 0.000 1.138 463 A CA -0.686 51.453 52.037 0.169 0.000 0.790 463 A CB 0.880 19.936 19.000 0.093 0.000 1.206 463 A HN 0.865 nan 8.150 nan 0.000 0.470 464 E N 1.918 122.243 120.200 0.209 0.000 2.398 464 E HA 0.381 4.732 4.350 0.001 0.000 0.263 464 E C -0.607 175.940 176.600 -0.087 0.000 1.046 464 E CA -0.245 56.110 56.400 -0.075 0.000 0.908 464 E CB 0.646 30.265 29.700 -0.136 0.000 0.963 464 E HN 0.428 nan 8.360 nan 0.000 0.431 465 V N 2.868 122.690 119.914 -0.153 0.000 2.850 465 V HA 0.529 4.650 4.120 0.001 0.000 0.315 465 V C -0.252 175.784 176.094 -0.097 0.000 1.064 465 V CA -0.657 61.589 62.300 -0.090 0.000 0.979 465 V CB 1.598 33.383 31.823 -0.064 0.000 1.039 465 V HN 0.873 nan 8.190 nan 0.000 0.452 473 V N 0.817 120.740 119.914 0.016 0.000 2.667 473 V HA 0.880 5.000 4.120 0.001 0.000 0.308 473 V C -2.172 173.933 176.094 0.018 0.000 1.048 473 V CA -1.348 60.966 62.300 0.023 0.000 0.928 473 V CB 1.596 33.437 31.823 0.030 0.000 1.004 473 V HN 0.389 nan 8.190 nan 0.000 0.444 474 P HA 0.815 nan 4.420 nan 0.000 0.282 474 P C -1.064 176.248 177.300 0.020 0.000 1.259 474 P CA -0.500 62.614 63.100 0.023 0.000 0.826 474 P CB 1.825 33.533 31.700 0.013 0.000 1.064 475 A N 0.217 123.056 122.820 0.030 0.000 2.555 475 A HA 0.354 4.675 4.320 0.001 0.000 0.297 475 A C -0.418 177.193 177.584 0.045 0.000 1.060 475 A CA -0.757 51.297 52.037 0.028 0.000 0.710 475 A CB 0.722 19.736 19.000 0.025 0.000 1.282 475 A HN 0.684 nan 8.150 nan 0.000 0.399 476 E N 1.116 121.335 120.200 0.033 0.000 3.056 476 E HA 0.189 4.539 4.350 0.001 0.000 0.264 476 E C 1.326 177.954 176.600 0.047 0.000 0.899 476 E CA 1.927 58.356 56.400 0.048 0.000 0.966 476 E CB -0.018 29.695 29.700 0.021 0.000 0.913 476 E HN 2.299 nan 8.360 nan 0.000 0.522 477 G N 2.479 111.338 108.800 0.099 0.000 2.179 477 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 477 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 477 G C 0.035 175.015 174.900 0.135 0.000 0.977 477 G CA 0.128 45.226 45.100 -0.004 0.000 0.641 477 G HN 0.584 nan 8.290 nan 0.000 0.533 478 V N 1.625 121.650 119.914 0.184 0.000 2.398 478 V HA 0.704 4.824 4.120 0.001 0.000 0.286 478 V C 0.329 176.582 176.094 0.265 0.000 1.026 478 V CA -0.550 61.861 62.300 0.185 0.000 0.868 478 V CB 1.674 33.561 31.823 0.106 0.000 0.982 478 V HN 0.302 nan 8.190 nan 0.000 0.443 479 I N 4.482 125.229 120.570 0.295 0.000 2.447 479 I HA 0.427 4.598 4.170 0.001 0.000 0.287 479 I C -0.270 176.018 176.117 0.285 0.000 1.023 479 I CA -0.439 61.050 61.300 0.316 0.000 1.083 479 I CB 2.101 40.293 38.000 0.320 0.000 1.245 479 I HN 0.563 nan 8.210 nan 0.000 0.434 480 Q N 4.189 124.121 119.800 0.221 0.000 2.222 480 Q HA 0.680 5.021 4.340 0.001 0.000 0.252 480 Q C -1.220 174.902 176.000 0.203 0.000 0.926 480 Q CA -0.635 55.281 55.803 0.188 0.000 0.899 480 Q CB 2.817 31.626 28.738 0.118 0.000 1.250 480 Q HN 0.422 nan 8.270 nan 0.000 0.441 481 V N 1.792 121.843 119.914 0.228 0.000 2.577 481 V HA 0.360 4.480 4.120 0.001 0.000 0.303 481 V C -0.623 175.581 176.094 0.182 0.000 1.042 481 V CA -0.802 61.626 62.300 0.213 0.000 0.872 481 V CB 2.142 34.105 31.823 0.232 0.000 0.998 481 V HN 0.771 nan 8.190 nan 0.000 0.423 482 T N 3.979 118.633 114.554 0.166 0.000 2.749 482 T HA 0.635 4.985 4.350 0.001 0.000 0.287 482 T C 0.501 175.290 174.700 0.149 0.000 0.970 482 T CA -0.104 62.074 62.100 0.130 0.000 0.980 482 T CB 1.402 70.329 68.868 0.099 0.000 0.924 482 T HN 0.943 nan 8.240 nan 0.000 0.456 483 G N 0.964 109.838 108.800 0.124 0.000 2.705 483 G HA2 0.576 4.537 3.960 0.001 0.000 0.299 483 G HA3 0.576 4.537 3.960 0.001 0.000 0.299 483 G C 1.232 176.163 174.900 0.053 0.000 1.315 483 G CA -0.331 44.836 45.100 0.112 0.000 1.045 483 G HN 0.742 nan 8.290 nan 0.000 0.517 484 A N 0.186 123.024 122.820 0.031 0.000 1.969 484 A HA -0.229 4.091 4.320 0.001 0.000 0.223 484 A C 1.692 179.284 177.584 0.014 0.000 1.218 484 A CA 2.683 54.725 52.037 0.008 0.000 0.667 484 A CB -0.655 18.348 19.000 0.005 0.000 0.826 484 A HN 0.674 nan 8.150 nan 0.000 0.472 485 D N -1.901 118.513 120.400 0.025 0.000 2.434 485 D HA 0.335 4.976 4.640 0.001 0.000 0.232 485 D C 1.094 177.408 176.300 0.023 0.000 1.166 485 D CA 0.537 54.550 54.000 0.022 0.000 0.830 485 D CB -1.074 39.739 40.800 0.023 0.000 0.960 485 D HN 0.821 nan 8.370 nan 0.000 0.497 486 G N 1.006 109.821 108.800 0.026 0.000 2.219 486 G HA2 -0.418 3.543 3.960 0.001 0.000 0.271 486 G HA3 -0.418 3.543 3.960 0.001 0.000 0.271 486 G C 0.434 175.353 174.900 0.032 0.000 0.991 486 G CA 0.681 45.798 45.100 0.029 0.000 0.685 486 G HN 0.663 nan 8.290 nan 0.000 0.531 487 R N 0.025 120.546 120.500 0.034 0.000 2.457 487 R HA 0.556 4.897 4.340 0.001 0.000 0.284 487 R C -0.524 175.802 176.300 0.043 0.000 1.024 487 R CA -0.109 56.009 56.100 0.031 0.000 1.025 487 R CB 0.726 31.040 30.300 0.023 0.000 1.063 487 R HN 0.054 nan 8.270 nan 0.000 0.493 488 T N 3.981 118.554 114.554 0.033 0.000 2.794 488 T HA 0.351 4.702 4.350 0.001 0.000 0.280 488 T C -0.756 173.950 174.700 0.009 0.000 0.987 488 T CA -0.630 61.495 62.100 0.042 0.000 0.993 488 T CB 1.147 70.040 68.868 0.040 0.000 0.939 488 T HN 0.474 nan 8.240 nan 0.000 0.449 489 K N 1.600 122.007 120.400 0.013 0.000 2.221 489 K HA 0.695 5.016 4.320 0.001 0.000 0.243 489 K C -0.526 175.952 176.600 -0.202 0.000 0.968 489 K CA -0.897 55.312 56.287 -0.129 0.000 0.846 489 K CB 1.726 34.113 32.500 -0.187 0.000 1.141 489 K HN 0.400 nan 8.250 nan 0.000 0.434 490 T N 1.655 115.966 114.554 -0.404 0.000 2.812 490 T HA 0.473 4.824 4.350 0.001 0.000 0.282 490 T C -1.339 173.081 174.700 -0.468 0.000 0.990 490 T CA -0.632 61.307 62.100 -0.268 0.000 0.960 490 T CB 0.294 69.091 68.868 -0.120 0.000 0.948 490 T HN 0.307 nan 8.240 nan 0.000 0.438 491 Y N 0.929 121.260 120.300 0.051 0.000 2.499 491 Y HA 0.674 5.225 4.550 0.001 0.000 0.347 491 Y C 0.289 176.231 175.900 0.071 0.000 0.987 491 Y CA -1.302 56.830 58.100 0.053 0.000 1.044 491 Y CB 1.833 40.327 38.460 0.056 0.000 1.245 491 Y HN 0.400 nan 8.280 nan 0.000 0.461 492 R N 2.051 122.675 120.500 0.206 0.000 2.599 492 R HA 0.493 4.834 4.340 0.001 0.000 0.295 492 R C -0.812 175.545 176.300 0.095 0.000 0.963 492 R CA -0.990 55.181 56.100 0.119 0.000 0.883 492 R CB 1.509 31.843 30.300 0.058 0.000 1.171 492 R HN 0.859 nan 8.270 nan 0.000 0.450 493 R N 1.589 122.099 120.500 0.017 0.000 2.442 493 R HA 0.051 4.392 4.340 0.001 0.000 0.291 493 R C 0.326 176.562 176.300 -0.107 0.000 1.069 493 R CA 0.595 56.639 56.100 -0.093 0.000 1.022 493 R CB 0.717 30.754 30.300 -0.438 0.000 0.976 493 R HN 0.843 nan 8.270 nan 0.000 0.443 494 T N 0.119 114.632 114.554 -0.069 0.000 2.985 494 T HA 0.390 4.740 4.350 0.001 0.000 0.254 494 T C 0.169 174.812 174.700 -0.095 0.000 1.021 494 T CA 0.129 62.192 62.100 -0.061 0.000 0.957 494 T CB 0.693 69.558 68.868 -0.004 0.000 1.047 494 T HN 0.534 nan 8.240 nan 0.000 0.511 495 A N 1.613 124.358 122.820 -0.126 0.000 2.589 495 A HA 0.746 5.067 4.320 0.001 0.000 0.296 495 A C 0.139 177.630 177.584 -0.155 0.000 1.062 495 A CA -0.978 50.981 52.037 -0.129 0.000 0.686 495 A CB 1.235 20.172 19.000 -0.105 0.000 1.282 495 A HN 0.343 nan 8.150 nan 0.000 0.404 496 R N -0.111 120.312 120.500 -0.129 0.000 2.539 496 R HA 0.439 4.779 4.340 0.001 0.000 0.342 496 R C 0.002 176.351 176.300 0.082 0.000 0.941 496 R CA 0.674 56.734 56.100 -0.066 0.000 1.146 496 R CB 0.906 31.056 30.300 -0.250 0.000 1.541 496 R HN 0.705 nan 8.270 nan 0.000 0.525 497 T N -1.146 113.429 114.554 0.034 0.000 2.749 497 T HA 0.186 4.536 4.350 0.001 0.000 0.310 497 T C -0.631 174.101 174.700 0.054 0.000 1.496 497 T CA -0.762 61.381 62.100 0.071 0.000 1.006 497 T CB 1.098 70.012 68.868 0.077 0.000 1.457 497 T HN 0.121 nan 8.240 nan 0.000 0.497 498 F N 2.379 122.304 119.950 -0.041 0.000 2.126 498 F HA 0.015 4.542 4.527 0.001 0.000 0.299 498 F C 1.711 177.493 175.800 -0.028 0.000 1.096 498 F CA 1.655 59.618 58.000 -0.061 0.000 1.255 498 F CB 0.171 39.123 39.000 -0.080 0.000 0.997 498 F HN 0.468 nan 8.300 nan 0.000 0.479 499 N N 0.993 119.579 118.700 -0.190 0.000 2.370 499 N HA -0.014 4.727 4.740 0.001 0.000 0.198 499 N C -0.584 174.822 175.510 -0.173 0.000 1.156 499 N CA 0.225 53.111 53.050 -0.274 0.000 0.839 499 N CB -0.543 37.892 38.487 -0.087 0.000 0.989 499 N HN 0.319 nan 8.380 nan 0.000 0.468 500 D N -0.015 120.300 120.400 -0.142 0.000 2.361 500 D HA 0.123 4.764 4.640 0.001 0.000 0.239 500 D C 1.095 177.316 176.300 -0.131 0.000 1.200 500 D CA 0.084 54.017 54.000 -0.111 0.000 0.915 500 D CB 0.575 41.318 40.800 -0.095 0.000 1.170 500 D HN 0.072 nan 8.370 nan 0.000 0.444 501 G N 0.266 109.008 108.800 -0.096 0.000 2.464 501 G HA2 0.125 4.086 3.960 0.001 0.000 0.231 501 G HA3 0.125 4.086 3.960 0.001 0.000 0.231 501 G C 0.053 174.901 174.900 -0.087 0.000 1.267 501 G CA -0.393 44.657 45.100 -0.083 0.000 0.863 501 G HN 0.396 nan 8.290 nan 0.000 0.559 502 L N 2.578 123.760 121.223 -0.069 0.000 2.540 502 L HA 0.418 4.758 4.340 0.001 0.000 0.276 502 L C 1.345 178.201 176.870 -0.023 0.000 1.212 502 L CA 1.177 55.990 54.840 -0.046 0.000 0.893 502 L CB 0.865 42.918 42.059 -0.010 0.000 1.138 502 L HN 0.489 nan 8.230 nan 0.000 0.491 503 G N 4.630 113.394 108.800 -0.060 0.000 2.556 503 G HA2 0.040 4.001 3.960 0.001 0.000 0.209 503 G HA3 0.040 4.001 3.960 0.001 0.000 0.209 503 G C 0.006 175.071 174.900 0.275 0.000 1.159 503 G CA -0.118 44.985 45.100 0.005 0.000 0.828 503 G HN 0.437 nan 8.290 nan 0.000 0.553 504 F N 1.966 121.970 119.950 0.089 0.000 2.388 504 F HA 0.575 5.103 4.527 0.001 0.000 0.358 504 F C -0.135 175.749 175.800 0.140 0.000 1.122 504 F CA -1.463 56.575 58.000 0.064 0.000 1.056 504 F CB 1.232 40.243 39.000 0.019 0.000 1.155 504 F HN -0.289 nan 8.300 nan 0.000 0.461 505 T N 5.523 120.234 114.554 0.263 0.000 2.809 505 T HA 0.696 5.046 4.350 0.001 0.000 0.284 505 T C -0.240 174.536 174.700 0.126 0.000 0.992 505 T CA -0.365 61.853 62.100 0.197 0.000 0.957 505 T CB 1.071 70.021 68.868 0.136 0.000 0.942 505 T HN 0.289 nan 8.240 nan 0.000 0.439 506 I N 2.123 122.777 120.570 0.141 0.000 2.466 506 I HA 0.475 4.646 4.170 0.001 0.000 0.289 506 I C 0.844 177.028 176.117 0.112 0.000 1.026 506 I CA -1.072 60.257 61.300 0.047 0.000 1.078 506 I CB 1.983 39.905 38.000 -0.130 0.000 1.249 506 I HN 0.700 nan 8.210 nan 0.000 0.429 507 G N 4.431 113.286 108.800 0.092 0.000 2.378 507 G HA2 0.106 4.066 3.960 0.001 0.000 0.255 507 G HA3 0.106 4.066 3.960 0.001 0.000 0.255 507 G C -0.125 174.876 174.900 0.168 0.000 1.270 507 G CA -0.223 44.955 45.100 0.131 0.000 0.876 507 G HN 0.627 nan 8.290 nan 0.000 0.521 508 E N 1.087 121.427 120.200 0.232 0.000 2.413 508 E HA 0.273 4.624 4.350 0.001 0.000 0.263 508 E C 1.393 178.084 176.600 0.152 0.000 1.015 508 E CA 1.186 57.723 56.400 0.229 0.000 0.916 508 E CB 0.768 30.669 29.700 0.334 0.000 0.947 508 E HN 1.033 nan 8.360 nan 0.000 0.440 509 G N 3.278 112.134 108.800 0.093 0.000 2.225 509 G HA2 -0.301 3.660 3.960 0.001 0.000 0.254 509 G HA3 -0.301 3.660 3.960 0.001 0.000 0.254 509 G C 0.518 175.431 174.900 0.021 0.000 0.988 509 G CA 0.742 45.863 45.100 0.035 0.000 0.625 509 G HN 0.792 nan 8.290 nan 0.000 0.527 510 T N -1.419 113.181 114.554 0.077 0.000 2.849 510 T HA 0.598 4.948 4.350 0.001 0.000 0.284 510 T C 0.026 174.764 174.700 0.063 0.000 1.004 510 T CA -0.045 62.120 62.100 0.109 0.000 1.021 510 T CB 1.544 70.487 68.868 0.125 0.000 1.013 510 T HN 0.381 nan 8.240 nan 0.000 0.527 511 H N -0.153 119.001 119.070 0.140 0.000 2.472 511 H HA 0.609 5.166 4.556 0.001 0.000 0.338 511 H C -0.052 175.403 175.328 0.211 0.000 1.133 511 H CA -0.593 55.544 56.048 0.149 0.000 1.216 511 H CB 1.164 30.970 29.762 0.073 0.000 1.497 511 H HN 0.680 nan 8.280 nan 0.000 0.500 512 E N 1.280 121.711 120.200 0.385 0.000 2.317 512 E HA 0.170 4.521 4.350 0.001 0.000 0.270 512 E C -1.026 175.738 176.600 0.274 0.000 0.885 512 E CA -1.008 55.598 56.400 0.344 0.000 0.760 512 E CB 2.831 32.803 29.700 0.452 0.000 1.227 512 E HN 0.488 nan 8.360 nan 0.000 0.434 513 Q N 2.389 122.273 119.800 0.140 0.000 2.257 513 Q HA 0.243 4.584 4.340 0.001 0.000 0.255 513 Q C -1.499 174.679 176.000 0.297 0.000 0.920 513 Q CA -0.639 55.235 55.803 0.118 0.000 0.927 513 Q CB 0.773 29.499 28.738 -0.021 0.000 1.229 513 Q HN 0.373 nan 8.270 nan 0.000 0.433 514 W N 2.158 123.342 121.300 -0.193 0.000 2.520 514 W HA 0.401 5.062 4.660 0.002 0.000 0.323 514 W C -0.557 175.693 176.519 -0.449 0.000 1.062 514 W CA -0.687 56.413 57.345 -0.408 0.000 1.215 514 W CB 2.003 31.079 29.460 -0.640 0.000 1.340 514 W HN 0.418 nan 8.180 nan 0.000 0.516 515 T N 4.032 118.431 114.554 -0.259 0.000 2.770 515 T HA 0.472 4.823 4.350 0.001 0.000 0.283 515 T C -0.945 173.548 174.700 -0.345 0.000 0.988 515 T CA -0.426 61.547 62.100 -0.212 0.000 0.957 515 T CB 0.192 68.990 68.868 -0.117 0.000 0.930 515 T HN -0.022 nan 8.240 nan 0.000 0.443 516 F N 3.272 123.222 119.950 -0.000 0.000 2.391 516 F HA 0.479 5.007 4.527 0.001 0.000 0.359 516 F C 0.051 175.824 175.800 -0.046 0.000 1.122 516 F CA -1.044 56.959 58.000 0.004 0.000 1.120 516 F CB 0.962 39.995 39.000 0.055 0.000 1.142 516 F HN 0.271 nan 8.300 nan 0.000 0.483 517 L N 5.483 126.724 121.223 0.030 0.000 2.301 517 L HA 0.427 4.768 4.340 0.001 0.000 0.278 517 L C -0.592 176.210 176.870 -0.113 0.000 1.022 517 L CA -0.368 54.396 54.840 -0.127 0.000 0.854 517 L CB 0.268 42.148 42.059 -0.299 0.000 1.226 517 L HN 0.436 nan 8.230 nan 0.000 0.429 518 N N 4.729 123.403 118.700 -0.043 0.000 2.420 518 N HA 0.223 4.964 4.740 0.001 0.000 0.249 518 N C 0.289 175.747 175.510 -0.087 0.000 1.033 518 N CA -0.112 52.918 53.050 -0.033 0.000 0.944 518 N CB 0.862 39.397 38.487 0.079 0.000 1.113 518 N HN 0.749 nan 8.380 nan 0.000 0.502 519 L N 1.326 122.435 121.223 -0.189 0.000 2.607 519 L HA 0.149 4.489 4.340 0.001 0.000 0.228 519 L C 0.921 177.719 176.870 -0.119 0.000 1.123 519 L CA -0.089 54.623 54.840 -0.212 0.000 0.890 519 L CB -0.326 41.451 42.059 -0.470 0.000 1.103 519 L HN 0.460 nan 8.230 nan 0.000 0.468 520 S N -0.896 114.769 115.700 -0.058 0.000 2.747 520 S HA 0.474 4.945 4.470 0.001 0.000 0.300 520 S C -2.072 172.549 174.600 0.035 0.000 1.121 520 S CA -1.240 56.962 58.200 0.003 0.000 0.995 520 S CB 1.526 64.746 63.200 0.033 0.000 1.113 520 S HN -0.158 nan 8.310 nan 0.000 0.547 521 P HA 0.283 nan 4.420 nan 0.000 0.249 521 P C -0.106 177.208 177.300 0.023 0.000 1.229 521 P CA 0.115 63.234 63.100 0.032 0.000 0.788 521 P CB -0.172 31.541 31.700 0.023 0.000 1.072 522 I N 1.232 121.818 120.570 0.027 0.000 2.416 522 I HA 0.105 4.276 4.170 0.001 0.000 0.288 522 I C 0.913 176.971 176.117 -0.097 0.000 1.051 522 I CA -0.694 60.581 61.300 -0.042 0.000 1.375 522 I CB 0.972 38.936 38.000 -0.060 0.000 1.407 522 I HN -0.116 nan 8.210 nan 0.000 0.516 523 L N 7.695 128.855 121.223 -0.106 0.000 2.313 523 L HA 0.264 4.605 4.340 0.001 0.000 0.282 523 L C -0.437 176.358 176.870 -0.125 0.000 1.092 523 L CA -0.166 54.651 54.840 -0.038 0.000 0.831 523 L CB -0.060 42.004 42.059 0.009 0.000 1.159 523 L HN 0.557 nan 8.230 nan 0.000 0.442 524 H N 5.635 124.771 119.070 0.109 0.000 2.511 524 H HA 0.340 4.897 4.556 0.001 0.000 0.328 524 H C -2.346 173.039 175.328 0.095 0.000 1.044 524 H CA -2.118 54.008 56.048 0.130 0.000 1.212 524 H CB 1.512 31.353 29.762 0.130 0.000 1.428 524 H HN 0.436 nan 8.280 nan 0.000 0.483 525 P HA 0.075 nan 4.420 nan 0.000 0.279 525 P C -0.083 177.317 177.300 0.167 0.000 1.318 525 P CA -0.359 62.838 63.100 0.163 0.000 0.819 525 P CB 0.316 32.106 31.700 0.150 0.000 0.927 526 M N 3.398 123.028 119.600 0.050 0.000 2.249 526 M HA 0.280 4.761 4.480 0.001 0.000 0.351 526 M C 0.181 176.519 176.300 0.064 0.000 1.180 526 M CA -0.218 55.056 55.300 -0.044 0.000 1.127 526 M CB -0.001 32.222 32.600 -0.627 0.000 1.546 526 M HN 0.446 nan 8.290 nan 0.000 0.461 527 H N 2.426 121.488 119.070 -0.012 0.000 2.759 527 H HA 0.652 5.209 4.556 0.001 0.000 0.354 527 H C -1.778 173.630 175.328 0.132 0.000 1.074 527 H CA -0.578 55.464 56.048 -0.011 0.000 1.226 527 H CB 1.062 30.855 29.762 0.052 0.000 1.648 527 H HN 0.682 nan 8.280 nan 0.000 0.529 528 I N 5.723 126.154 120.570 -0.231 0.000 2.355 528 I HA 0.219 4.390 4.170 0.001 0.000 0.288 528 I C 0.497 176.558 176.117 -0.092 0.000 0.999 528 I CA -0.641 60.626 61.300 -0.054 0.000 1.163 528 I CB 0.966 38.847 38.000 -0.199 0.000 1.316 528 I HN 0.595 nan 8.210 nan 0.000 0.454 529 H N 4.862 123.883 119.070 -0.080 0.000 2.871 529 H HA 0.048 4.605 4.556 0.001 0.000 0.377 529 H C 0.957 176.321 175.328 0.060 0.000 1.307 529 H CA -0.023 56.032 56.048 0.011 0.000 1.449 529 H CB 1.043 30.907 29.762 0.169 0.000 1.452 529 H HN 0.670 nan 8.280 nan 0.000 0.619 530 L N -0.560 120.650 121.223 -0.021 0.000 2.848 530 L HA -0.319 4.021 4.340 0.001 0.000 0.400 530 L C -0.016 176.729 176.870 -0.208 0.000 2.308 530 L CA 2.253 56.932 54.840 -0.268 0.000 2.916 530 L CB -1.482 40.160 42.059 -0.695 0.000 1.824 530 L HN 0.723 nan 8.230 nan 0.000 0.807 531 A N 0.081 122.787 122.820 -0.191 0.000 2.281 531 A HA 0.647 4.967 4.320 0.001 0.000 0.329 531 A C -0.607 176.807 177.584 -0.284 0.000 1.122 531 A CA 0.043 51.817 52.037 -0.438 0.000 0.850 531 A CB 0.415 18.733 19.000 -1.138 0.000 1.207 531 A HN 0.389 nan 8.150 nan 0.000 0.495 532 D N 0.048 120.220 120.400 -0.380 0.000 2.168 532 D HA 0.597 5.237 4.640 0.001 0.000 0.246 532 D C -1.219 174.825 176.300 -0.426 0.000 1.050 532 D CA 0.592 54.516 54.000 -0.127 0.000 0.857 532 D CB 1.213 42.017 40.800 0.006 0.000 1.169 532 D HN 0.283 nan 8.370 nan 0.000 0.453 533 F N 0.378 120.417 119.950 0.148 0.000 2.598 533 F HA 0.351 4.879 4.527 0.001 0.000 0.327 533 F C 0.544 176.481 175.800 0.228 0.000 1.057 533 F CA -0.796 57.285 58.000 0.135 0.000 0.957 533 F CB 1.592 40.720 39.000 0.213 0.000 1.278 533 F HN -0.016 nan 8.300 nan 0.000 0.484 534 Q N 0.491 120.482 119.800 0.318 0.000 2.377 534 Q HA 0.575 4.915 4.340 0.001 0.000 0.271 534 Q C -1.395 174.699 176.000 0.157 0.000 1.077 534 Q CA -1.160 54.791 55.803 0.247 0.000 0.820 534 Q CB 3.022 31.864 28.738 0.174 0.000 1.347 534 Q HN 0.353 nan 8.270 nan 0.000 0.444 535 V N 3.961 123.958 119.914 0.138 0.000 2.455 535 V HA 0.030 4.151 4.120 0.001 0.000 0.273 535 V C 1.020 177.143 176.094 0.047 0.000 1.045 535 V CA 0.412 62.742 62.300 0.050 0.000 0.976 535 V CB 0.436 32.312 31.823 0.090 0.000 0.993 535 V HN 0.784 nan 8.190 nan 0.000 0.475 536 L N 3.870 125.102 121.223 0.014 0.000 2.221 536 L HA 0.441 4.782 4.340 0.001 0.000 0.202 536 L C 1.087 177.961 176.870 0.007 0.000 1.074 536 L CA 1.039 55.885 54.840 0.011 0.000 0.795 536 L CB 0.113 42.163 42.059 -0.015 0.000 0.960 536 L HN 0.818 nan 8.230 nan 0.000 0.458 537 G N -0.361 108.444 108.800 0.009 0.000 2.466 537 G HA2 0.530 4.491 3.960 0.001 0.000 0.291 537 G HA3 0.530 4.491 3.960 0.001 0.000 0.291 537 G C -1.585 173.338 174.900 0.038 0.000 1.460 537 G CA -0.752 44.359 45.100 0.019 0.000 0.791 537 G HN -0.083 nan 8.290 nan 0.000 0.505 538 R N 0.110 120.636 120.500 0.043 0.000 2.673 538 R HA 0.609 4.949 4.340 0.001 0.000 0.281 538 R C -1.791 174.536 176.300 0.046 0.000 0.991 538 R CA -0.936 55.204 56.100 0.067 0.000 0.896 538 R CB 2.738 33.082 30.300 0.072 0.000 1.201 538 R HN 0.488 nan 8.270 nan 0.000 0.457 539 D N 1.034 121.475 120.400 0.068 0.000 2.879 539 D HA 0.300 4.941 4.640 0.001 0.000 0.236 539 D C -0.898 175.367 176.300 -0.058 0.000 1.171 539 D CA -0.531 53.439 54.000 -0.050 0.000 0.868 539 D CB 2.382 43.091 40.800 -0.151 0.000 1.598 539 D HN 0.578 nan 8.370 nan 0.000 0.497 540 A N 2.186 124.932 122.820 -0.124 0.000 2.388 540 A HA 0.503 4.823 4.320 0.001 0.000 0.257 540 A C -1.145 176.298 177.584 -0.236 0.000 1.095 540 A CA 0.071 52.071 52.037 -0.062 0.000 0.791 540 A CB 0.216 19.194 19.000 -0.037 0.000 1.029 540 A HN 0.498 nan 8.150 nan 0.000 0.489 541 Y N 0.009 120.321 120.300 0.021 0.000 2.524 541 Y HA 0.400 4.951 4.550 0.001 0.000 0.344 541 Y C -0.033 175.882 175.900 0.024 0.000 1.012 541 Y CA -0.716 57.397 58.100 0.022 0.000 1.068 541 Y CB 1.934 40.404 38.460 0.017 0.000 1.249 541 Y HN 0.688 nan 8.280 nan 0.000 0.468 542 D N 1.641 122.148 120.400 0.179 0.000 2.396 542 D HA 0.386 5.027 4.640 0.001 0.000 0.225 542 D C -0.259 176.131 176.300 0.150 0.000 1.121 542 D CA -0.103 53.973 54.000 0.127 0.000 0.853 542 D CB 1.254 42.105 40.800 0.085 0.000 1.043 542 D HN 0.662 nan 8.370 nan 0.000 0.500 543 A N 2.943 125.840 122.820 0.128 0.000 2.500 543 A HA 0.113 4.434 4.320 0.001 0.000 0.267 543 A C 1.766 179.430 177.584 0.133 0.000 1.290 543 A CA 0.254 52.361 52.037 0.117 0.000 0.928 543 A CB -0.300 18.735 19.000 0.059 0.000 1.066 543 A HN 0.515 nan 8.150 nan 0.000 0.516 544 S N -0.751 115.015 115.700 0.110 0.000 2.419 544 S HA -0.079 4.392 4.470 0.001 0.000 0.233 544 S C 1.774 176.435 174.600 0.103 0.000 1.016 544 S CA 1.423 59.681 58.200 0.096 0.000 0.974 544 S CB -0.636 62.605 63.200 0.069 0.000 0.786 544 S HN 0.657 nan 8.310 nan 0.000 0.492 545 G N 0.030 108.901 108.800 0.118 0.000 2.598 545 G HA2 0.096 4.057 3.960 0.001 0.000 0.215 545 G HA3 0.096 4.057 3.960 0.001 0.000 0.215 545 G C 0.160 175.141 174.900 0.135 0.000 1.131 545 G CA -0.373 44.792 45.100 0.108 0.000 0.785 545 G HN 0.560 nan 8.290 nan 0.000 0.539 546 F N 1.834 121.800 119.950 0.027 0.000 2.467 546 F HA 0.294 4.822 4.527 0.001 0.000 0.362 546 F C -0.163 175.649 175.800 0.019 0.000 1.090 546 F CA -1.063 56.948 58.000 0.019 0.000 1.202 546 F CB 0.915 39.906 39.000 -0.015 0.000 1.113 546 F HN -0.090 nan 8.300 nan 0.000 0.541 547 D N 6.802 126.821 120.400 -0.636 0.000 2.427 547 D HA 0.116 4.757 4.640 0.001 0.000 0.226 547 D C 0.799 176.738 176.300 -0.601 0.000 1.076 547 D CA -0.317 53.427 54.000 -0.427 0.000 0.849 547 D CB 1.239 41.891 40.800 -0.246 0.000 1.052 547 D HN 0.561 nan 8.370 nan 0.000 0.515 548 L N 3.959 124.990 121.223 -0.321 0.000 2.042 548 L HA -0.137 4.204 4.340 0.001 0.000 0.210 548 L C 2.537 179.352 176.870 -0.091 0.000 1.076 548 L CA 1.903 56.651 54.840 -0.154 0.000 0.749 548 L CB -0.579 41.487 42.059 0.011 0.000 0.893 548 L HN 0.567 nan 8.230 nan 0.000 0.432 549 A N -1.339 121.434 122.820 -0.078 0.000 2.014 549 A HA -0.092 4.229 4.320 0.001 0.000 0.218 549 A C 2.202 179.762 177.584 -0.040 0.000 1.163 549 A CA 1.227 53.243 52.037 -0.035 0.000 0.652 549 A CB -0.570 18.415 19.000 -0.025 0.000 0.808 549 A HN 0.337 nan 8.150 nan 0.000 0.449 550 L N -0.806 120.363 121.223 -0.090 0.000 2.095 550 L HA 0.263 4.604 4.340 0.001 0.000 0.204 550 L C 1.498 178.345 176.870 -0.038 0.000 1.080 550 L CA 1.934 56.731 54.840 -0.072 0.000 0.759 550 L CB -0.445 41.554 42.059 -0.100 0.000 0.914 550 L HN 0.728 nan 8.230 nan 0.000 0.439 551 G N -0.984 107.746 108.800 -0.116 0.000 2.212 551 G HA2 0.064 4.025 3.960 0.001 0.000 0.255 551 G HA3 0.064 4.025 3.960 0.001 0.000 0.255 551 G C 0.345 175.368 174.900 0.205 0.000 1.062 551 G CA 0.259 45.434 45.100 0.125 0.000 0.815 551 G HN 1.030 nan 8.290 nan 0.000 0.497 552 G N -1.645 107.029 108.800 -0.210 0.000 2.576 552 G HA2 0.847 4.808 3.960 0.001 0.000 0.290 552 G HA3 0.847 4.808 3.960 0.001 0.000 0.290 552 G C -0.322 174.515 174.900 -0.105 0.000 1.442 552 G CA 0.619 45.759 45.100 0.067 0.000 0.792 552 G HN 1.425 nan 8.290 nan 0.000 0.491 553 T N -0.878 113.755 114.554 0.132 0.000 2.856 553 T HA 0.429 4.780 4.350 0.001 0.000 0.292 553 T C 1.150 175.877 174.700 0.044 0.000 0.980 553 T CA -0.578 61.591 62.100 0.114 0.000 1.091 553 T CB 2.281 71.266 68.868 0.195 0.000 0.936 553 T HN 0.515 nan 8.240 nan 0.000 0.503 554 R N 1.240 121.750 120.500 0.017 0.000 2.066 554 R HA 0.086 4.426 4.340 0.001 0.000 0.224 554 R C 1.237 177.560 176.300 0.039 0.000 1.122 554 R CA 1.068 57.178 56.100 0.017 0.000 0.974 554 R CB -0.269 30.031 30.300 0.001 0.000 0.871 554 R HN 0.857 nan 8.270 nan 0.000 0.435 555 T N -0.557 114.029 114.554 0.053 0.000 2.924 555 T HA 0.461 4.812 4.350 0.001 0.000 0.291 555 T C -2.874 171.881 174.700 0.091 0.000 1.045 555 T CA -2.564 59.574 62.100 0.063 0.000 1.015 555 T CB 2.526 71.426 68.868 0.054 0.000 1.103 555 T HN -0.210 nan 8.240 nan 0.000 0.496 556 P HA 0.185 nan 4.420 nan 0.000 0.266 556 P C -0.134 177.246 177.300 0.133 0.000 1.195 556 P CA -0.460 62.711 63.100 0.118 0.000 0.768 556 P CB 0.206 31.969 31.700 0.105 0.000 0.838 557 V N 4.288 124.292 119.914 0.149 0.000 2.694 557 V HA -0.026 4.095 4.120 0.001 0.000 0.306 557 V C 1.078 177.294 176.094 0.203 0.000 1.054 557 V CA 0.649 63.041 62.300 0.153 0.000 1.161 557 V CB -0.479 31.392 31.823 0.079 0.000 0.916 557 V HN 0.508 nan 8.190 nan 0.000 0.490 558 R N 4.175 124.815 120.500 0.233 0.000 2.480 558 R HA 0.499 4.839 4.340 0.001 0.000 0.306 558 R C -0.710 175.704 176.300 0.190 0.000 0.958 558 R CA -0.927 55.289 56.100 0.193 0.000 0.861 558 R CB 1.320 31.686 30.300 0.110 0.000 1.171 558 R HN 0.740 nan 8.270 nan 0.000 0.445 559 L N 3.236 124.511 121.223 0.087 0.000 2.525 559 L HA 0.010 4.351 4.340 0.001 0.000 0.278 559 L C -0.339 176.427 176.870 -0.172 0.000 1.218 559 L CA 0.773 55.445 54.840 -0.279 0.000 0.878 559 L CB 0.483 42.395 42.059 -0.245 0.000 1.127 559 L HN 0.634 nan 8.230 nan 0.000 0.492 560 D N 6.243 126.504 120.400 -0.233 0.000 2.460 560 D HA 0.301 4.941 4.640 0.001 0.000 0.268 560 D C -2.058 174.176 176.300 -0.110 0.000 1.153 560 D CA -2.013 51.917 54.000 -0.115 0.000 0.929 560 D CB 1.006 41.761 40.800 -0.075 0.000 1.015 560 D HN 0.227 nan 8.370 nan 0.000 0.502 561 P HA 0.169 nan 4.420 nan 0.000 0.258 561 P C -0.645 176.626 177.300 -0.049 0.000 1.403 561 P CA 0.197 63.252 63.100 -0.075 0.000 0.826 561 P CB -0.046 31.621 31.700 -0.055 0.000 1.414 562 D N -4.491 115.883 120.400 -0.043 0.000 2.704 562 D HA 0.020 4.660 4.640 0.001 0.000 0.291 562 D C -0.514 175.772 176.300 -0.023 0.000 1.610 562 D CA -0.168 53.815 54.000 -0.027 0.000 0.807 562 D CB -0.955 39.834 40.800 -0.018 0.000 1.233 562 D HN -0.262 nan 8.370 nan 0.000 0.445 563 T N 3.584 118.120 114.554 -0.030 0.000 3.005 563 T HA 0.378 4.728 4.350 0.001 0.000 0.323 563 T C -2.510 172.173 174.700 -0.028 0.000 1.131 563 T CA -1.140 60.947 62.100 -0.021 0.000 0.977 563 T CB 0.996 69.855 68.868 -0.014 0.000 1.055 563 T HN 0.103 nan 8.240 nan 0.000 0.562 564 P HA 0.311 nan 4.420 nan 0.000 0.275 564 P C -0.860 176.437 177.300 -0.006 0.000 1.227 564 P CA -0.422 62.667 63.100 -0.018 0.000 0.781 564 P CB 1.007 32.700 31.700 -0.012 0.000 0.906 565 V N 4.852 124.765 119.914 -0.002 0.000 2.325 565 V HA 0.285 4.405 4.120 0.001 0.000 0.280 565 V C -1.889 174.217 176.094 0.020 0.000 1.016 565 V CA -1.605 60.704 62.300 0.015 0.000 0.818 565 V CB 1.117 32.955 31.823 0.026 0.000 1.019 565 V HN 0.597 nan 8.190 nan 0.000 0.434 566 P HA 0.354 nan 4.420 nan 0.000 0.279 566 P C -0.146 177.174 177.300 0.034 0.000 1.239 566 P CA -0.419 62.694 63.100 0.022 0.000 0.789 566 P CB 1.279 32.989 31.700 0.017 0.000 0.933 567 L N 1.243 122.488 121.223 0.036 0.000 2.529 567 L HA 0.105 4.446 4.340 0.001 0.000 0.287 567 L C 1.224 178.122 176.870 0.046 0.000 1.241 567 L CA -0.300 54.569 54.840 0.048 0.000 0.857 567 L CB -0.284 41.803 42.059 0.047 0.000 1.113 567 L HN 0.467 nan 8.230 nan 0.000 0.504 568 A N 4.628 127.485 122.820 0.062 0.000 2.425 568 A HA 0.308 4.629 4.320 0.001 0.000 0.249 568 A C -1.261 176.351 177.584 0.046 0.000 1.084 568 A CA -1.154 50.919 52.037 0.059 0.000 0.781 568 A CB -0.013 19.038 19.000 0.086 0.000 1.019 568 A HN 0.657 nan 8.150 nan 0.000 0.490 569 P HA -0.135 nan 4.420 nan 0.000 0.221 569 P C 0.483 177.792 177.300 0.016 0.000 1.145 569 P CA 1.356 64.464 63.100 0.013 0.000 0.795 569 P CB -0.036 31.663 31.700 -0.002 0.000 0.775 570 N N -0.223 118.504 118.700 0.045 0.000 2.230 570 N HA -0.053 4.688 4.740 0.001 0.000 0.202 570 N C 0.763 176.311 175.510 0.063 0.000 1.119 570 N CA 0.049 53.135 53.050 0.060 0.000 0.851 570 N CB -0.626 37.933 38.487 0.120 0.000 0.990 570 N HN 0.319 nan 8.380 nan 0.000 0.497 571 E N 0.373 120.614 120.200 0.067 0.000 2.585 571 E HA 0.155 4.506 4.350 0.001 0.000 0.206 571 E C 0.195 176.841 176.600 0.077 0.000 1.007 571 E CA -0.295 56.161 56.400 0.093 0.000 1.028 571 E CB -0.235 29.550 29.700 0.140 0.000 1.087 571 E HN 0.211 nan 8.360 nan 0.000 0.455 572 L N 0.464 121.694 121.223 0.012 0.000 2.628 572 L HA 0.369 4.710 4.340 0.001 0.000 0.229 572 L C 1.101 177.911 176.870 -0.100 0.000 1.137 572 L CA -0.040 54.792 54.840 -0.013 0.000 0.909 572 L CB 0.414 42.443 42.059 -0.049 0.000 1.137 572 L HN 0.260 nan 8.230 nan 0.000 0.470 573 G N -1.524 107.211 108.800 -0.108 0.000 2.940 573 G HA2 0.282 4.243 3.960 0.001 0.000 0.164 573 G HA3 0.282 4.243 3.960 0.001 0.000 0.164 573 G C -1.025 173.908 174.900 0.055 0.000 1.326 573 G CA -0.538 44.437 45.100 -0.208 0.000 1.020 573 G HN 0.201 nan 8.290 nan 0.000 0.586 574 H N 0.527 119.749 119.070 0.255 0.000 2.604 574 H HA 0.484 5.041 4.556 0.001 0.000 0.306 574 H C -0.164 175.290 175.328 0.210 0.000 1.075 574 H CA -0.167 56.041 56.048 0.267 0.000 1.357 574 H CB 1.244 31.161 29.762 0.259 0.000 1.426 574 H HN -0.030 nan 8.280 nan 0.000 0.470 575 K N 2.086 122.718 120.400 0.386 0.000 2.426 575 K HA 0.133 4.454 4.320 0.001 0.000 0.251 575 K C -0.237 176.472 176.600 0.183 0.000 0.941 575 K CA -0.683 55.748 56.287 0.240 0.000 0.808 575 K CB 2.135 34.833 32.500 0.331 0.000 1.265 575 K HN 0.804 nan 8.250 nan 0.000 0.432 576 D N -1.634 118.708 120.400 -0.096 0.000 2.502 576 D HA 0.091 4.732 4.640 0.001 0.000 0.232 576 D C -0.151 175.898 176.300 -0.419 0.000 1.137 576 D CA 0.007 53.953 54.000 -0.089 0.000 0.827 576 D CB 0.540 41.482 40.800 0.237 0.000 1.141 576 D HN 0.052 nan 8.370 nan 0.000 0.517 577 V N 1.000 120.535 119.914 -0.631 0.000 2.540 577 V HA 0.560 4.681 4.120 0.001 0.000 0.302 577 V C -1.420 174.276 176.094 -0.664 0.000 1.035 577 V CA -0.750 61.237 62.300 -0.523 0.000 0.873 577 V CB 1.503 33.205 31.823 -0.203 0.000 0.992 577 V HN 0.014 nan 8.190 nan 0.000 0.428 578 F N 1.923 121.897 119.950 0.040 0.000 2.539 578 F HA 0.476 5.003 4.527 0.001 0.000 0.328 578 F C 0.355 176.163 175.800 0.013 0.000 1.148 578 F CA -0.831 57.183 58.000 0.023 0.000 0.940 578 F CB 1.506 40.505 39.000 -0.002 0.000 1.194 578 F HN 0.412 nan 8.300 nan 0.000 0.438 579 Q N 2.257 122.177 119.800 0.199 0.000 2.263 579 Q HA 0.253 4.594 4.340 0.001 0.000 0.289 579 Q C -0.586 175.508 176.000 0.156 0.000 1.061 579 Q CA 0.088 55.985 55.803 0.157 0.000 0.927 579 Q CB 1.185 30.005 28.738 0.138 0.000 1.154 579 Q HN 0.479 nan 8.270 nan 0.000 0.378 580 V N 5.726 125.722 119.914 0.136 0.000 2.289 580 V HA 0.239 4.360 4.120 0.001 0.000 0.272 580 V C -1.940 174.237 176.094 0.137 0.000 1.026 580 V CA -1.710 60.671 62.300 0.135 0.000 0.807 580 V CB 0.710 32.602 31.823 0.115 0.000 1.044 580 V HN 0.688 nan 8.190 nan 0.000 0.443 581 P HA 0.163 nan 4.420 nan 0.000 0.274 581 P C 0.824 178.182 177.300 0.097 0.000 1.260 581 P CA 0.299 63.454 63.100 0.091 0.000 0.793 581 P CB 0.839 32.585 31.700 0.076 0.000 1.048 582 G N 0.439 109.284 108.800 0.074 0.000 2.378 582 G HA2 -0.005 3.956 3.960 0.001 0.000 0.334 582 G HA3 -0.005 3.956 3.960 0.001 0.000 0.334 582 G C -1.967 172.979 174.900 0.077 0.000 1.339 582 G CA -0.632 44.509 45.100 0.068 0.000 1.158 582 G HN 0.436 nan 8.290 nan 0.000 0.636 583 P HA -0.083 nan 4.420 nan 0.000 0.207 583 P C -0.271 177.118 177.300 0.149 0.000 0.945 583 P CA 1.311 64.465 63.100 0.089 0.000 1.033 583 P CB -0.321 31.430 31.700 0.086 0.000 1.023 584 Q N 1.479 121.385 119.800 0.176 0.000 2.736 584 Q HA 0.495 4.836 4.340 0.001 0.000 0.273 584 Q C -1.331 174.809 176.000 0.233 0.000 0.948 584 Q CA -0.724 55.239 55.803 0.267 0.000 0.854 584 Q CB 1.444 30.282 28.738 0.167 0.000 1.569 584 Q HN 0.399 nan 8.270 nan 0.000 0.405 585 G N 1.439 110.462 108.800 0.373 0.000 2.415 585 G HA2 0.634 4.595 3.960 0.001 0.000 0.327 585 G HA3 0.634 4.595 3.960 0.001 0.000 0.327 585 G C -1.757 173.268 174.900 0.208 0.000 1.182 585 G CA -0.388 44.862 45.100 0.251 0.000 0.924 585 G HN 0.384 nan 8.290 nan 0.000 0.470 586 L N 1.423 122.748 121.223 0.169 0.000 2.381 586 L HA 0.716 5.057 4.340 0.001 0.000 0.274 586 L C -0.246 176.680 176.870 0.094 0.000 0.988 586 L CA -0.823 54.104 54.840 0.145 0.000 0.824 586 L CB 1.689 43.859 42.059 0.184 0.000 1.263 586 L HN 0.517 nan 8.230 nan 0.000 0.410 587 R N 4.313 124.835 120.500 0.036 0.000 2.387 587 R HA 0.784 5.125 4.340 0.001 0.000 0.314 587 R C -1.144 175.119 176.300 -0.062 0.000 0.958 587 R CA -0.721 55.374 56.100 -0.008 0.000 0.846 587 R CB 1.910 32.212 30.300 0.003 0.000 1.147 587 R HN 0.609 nan 8.270 nan 0.000 0.447 588 V N 0.128 119.976 119.914 -0.111 0.000 2.914 588 V HA 0.678 4.799 4.120 0.001 0.000 0.314 588 V C -0.527 175.571 176.094 0.006 0.000 1.084 588 V CA -1.082 61.130 62.300 -0.147 0.000 0.963 588 V CB 2.255 33.769 31.823 -0.515 0.000 1.025 588 V HN 0.754 nan 8.190 nan 0.000 0.432 589 M N 2.409 122.078 119.600 0.114 0.000 2.395 589 M HA 0.854 5.335 4.480 0.001 0.000 0.307 589 M C -0.251 176.135 176.300 0.143 0.000 1.091 589 M CA -0.122 55.256 55.300 0.130 0.000 0.919 589 M CB 2.029 34.629 32.600 0.001 0.000 1.662 589 M HN 1.235 nan 8.290 nan 0.000 0.440 590 G N 2.567 111.335 108.800 -0.053 0.000 2.695 590 G HA2 0.444 4.405 3.960 0.001 0.000 0.290 590 G HA3 0.444 4.405 3.960 0.001 0.000 0.290 590 G C -2.192 172.351 174.900 -0.595 0.000 1.410 590 G CA -0.697 43.985 45.100 -0.696 0.000 0.844 590 G HN 0.645 nan 8.290 nan 0.000 0.478 591 K N 0.498 120.443 120.400 -0.759 0.000 2.240 591 K HA 0.465 4.786 4.320 0.001 0.000 0.271 591 K C -1.068 175.115 176.600 -0.696 0.000 1.018 591 K CA -0.585 55.274 56.287 -0.714 0.000 0.874 591 K CB 0.601 32.701 32.500 -0.667 0.000 1.098 591 K HN 0.260 nan 8.250 nan 0.000 0.458 592 F N 3.447 123.206 119.950 -0.318 0.000 2.423 592 F HA 0.173 4.700 4.527 0.001 0.000 0.356 592 F C 0.115 175.836 175.800 -0.132 0.000 1.170 592 F CA -0.354 57.541 58.000 -0.175 0.000 1.163 592 F CB 0.564 39.543 39.000 -0.035 0.000 1.318 592 F HN 0.501 nan 8.300 nan 0.000 0.569 593 D N 1.067 121.423 120.400 -0.073 0.000 2.990 593 D HA 0.490 5.131 4.640 0.001 0.000 0.227 593 D C 0.351 176.585 176.300 -0.110 0.000 1.249 593 D CA 0.058 53.998 54.000 -0.101 0.000 0.891 593 D CB 1.642 42.337 40.800 -0.175 0.000 1.647 593 D HN 0.569 nan 8.370 nan 0.000 0.530 594 G N 1.511 110.236 108.800 -0.126 0.000 2.141 594 G HA2 0.317 4.278 3.960 0.001 0.000 0.242 594 G HA3 0.317 4.278 3.960 0.001 0.000 0.242 594 G C 0.276 175.060 174.900 -0.192 0.000 0.982 594 G CA 0.217 45.240 45.100 -0.128 0.000 0.662 594 G HN 1.321 nan 8.290 nan 0.000 0.527 595 A N -1.711 120.897 122.820 -0.352 0.000 2.544 595 A HA 0.811 5.132 4.320 0.001 0.000 0.291 595 A C -1.305 176.046 177.584 -0.389 0.000 1.055 595 A CA -0.597 51.258 52.037 -0.305 0.000 0.651 595 A CB 0.801 19.816 19.000 0.024 0.000 1.296 595 A HN 1.255 nan 8.150 nan 0.000 0.431 596 Y N -0.611 119.876 120.300 0.312 0.000 2.609 596 Y HA 0.830 5.381 4.550 0.001 0.000 0.342 596 Y C 0.863 176.897 175.900 0.224 0.000 1.058 596 Y CA 0.040 58.316 58.100 0.294 0.000 1.055 596 Y CB 2.041 40.587 38.460 0.144 0.000 1.292 596 Y HN 2.189 nan 8.280 nan 0.000 0.476 597 G N 0.839 109.814 108.800 0.293 0.000 2.306 597 G HA2 0.036 3.996 3.960 0.001 0.000 0.262 597 G HA3 0.036 3.996 3.960 0.001 0.000 0.262 597 G C -1.695 172.995 174.900 -0.350 0.000 1.263 597 G CA -1.209 43.810 45.100 -0.136 0.000 1.088 597 G HN 0.666 nan 8.290 nan 0.000 0.489 598 R N -0.298 119.807 120.500 -0.660 0.000 2.338 598 R HA 0.751 5.092 4.340 0.001 0.000 0.317 598 R C -0.896 174.943 176.300 -0.768 0.000 0.968 598 R CA -0.399 55.357 56.100 -0.574 0.000 0.849 598 R CB 0.467 30.395 30.300 -0.620 0.000 1.128 598 R HN 0.363 nan 8.270 nan 0.000 0.448 599 F N 2.005 121.752 119.950 -0.337 0.000 2.764 599 F HA 0.552 5.080 4.527 0.001 0.000 0.347 599 F C -0.109 175.508 175.800 -0.306 0.000 1.151 599 F CA -1.152 56.609 58.000 -0.398 0.000 1.021 599 F CB 1.265 39.774 39.000 -0.818 0.000 1.438 599 F HN 0.108 nan 8.300 nan 0.000 0.516 600 M N 1.183 120.659 119.600 -0.206 0.000 2.578 600 M HA 0.380 4.861 4.480 0.001 0.000 0.321 600 M C -1.034 175.463 176.300 0.328 0.000 1.182 600 M CA -0.830 54.389 55.300 -0.134 0.000 0.965 600 M CB 1.513 33.746 32.600 -0.610 0.000 1.694 600 M HN 0.661 nan 8.290 nan 0.000 0.461 601 Y N -0.454 120.134 120.300 0.479 0.000 2.570 601 Y HA 0.852 5.402 4.550 0.001 0.000 0.345 601 Y C -0.780 175.345 175.900 0.376 0.000 1.014 601 Y CA -0.954 57.385 58.100 0.398 0.000 1.063 601 Y CB 1.403 40.234 38.460 0.618 0.000 1.272 601 Y HN 0.884 nan 8.280 nan 0.000 0.477 602 H N -0.810 118.469 119.070 0.348 0.000 2.904 602 H HA 0.393 4.950 4.556 0.001 0.000 0.290 602 H C -1.635 173.852 175.328 0.266 0.000 1.437 602 H CA -1.579 54.581 56.048 0.187 0.000 1.147 602 H CB 0.461 30.261 29.762 0.063 0.000 1.824 602 H HN 1.094 nan 8.280 nan 0.000 0.505 603 C N 1.503 121.022 119.300 0.365 0.000 2.637 603 C HA 0.105 4.566 4.460 0.001 0.000 0.418 603 C C 1.221 176.502 174.990 0.485 0.000 1.319 603 C CA 0.011 59.244 59.018 0.359 0.000 1.949 603 C CB -0.794 27.167 27.740 0.367 0.000 2.639 603 C HN 0.967 nan 8.230 nan 0.000 0.594 604 H N 4.451 123.720 119.070 0.332 0.000 2.538 604 H HA 0.273 4.830 4.556 0.001 0.000 0.286 604 H C -0.008 175.411 175.328 0.152 0.000 1.035 604 H CA 0.265 56.498 56.048 0.308 0.000 1.169 604 H CB -0.021 29.903 29.762 0.269 0.000 1.417 604 H HN 0.570 nan 8.280 nan 0.000 0.567 605 L N 1.961 123.286 121.223 0.169 0.000 2.283 605 L HA 0.077 4.418 4.340 0.001 0.000 0.287 605 L C 1.545 178.348 176.870 -0.112 0.000 1.073 605 L CA -0.262 54.562 54.840 -0.026 0.000 0.822 605 L CB 1.401 43.332 42.059 -0.213 0.000 1.186 605 L HN 0.151 nan 8.230 nan 0.000 0.436 606 L N 1.929 123.063 121.223 -0.149 0.000 2.131 606 L HA -0.191 4.149 4.340 0.001 0.000 0.210 606 L C 1.945 178.672 176.870 -0.237 0.000 1.092 606 L CA 1.162 55.868 54.840 -0.224 0.000 0.759 606 L CB -0.148 41.770 42.059 -0.235 0.000 0.903 606 L HN 0.687 nan 8.230 nan 0.000 0.435 607 E N -0.728 119.338 120.200 -0.224 0.000 2.150 607 E HA -0.175 4.176 4.350 0.001 0.000 0.193 607 E C 1.978 178.543 176.600 -0.059 0.000 0.985 607 E CA 1.083 57.374 56.400 -0.182 0.000 0.814 607 E CB -0.191 29.429 29.700 -0.134 0.000 0.752 607 E HN 0.581 nan 8.360 nan 0.000 0.466 608 H N -0.614 118.422 119.070 -0.056 0.000 2.403 608 H HA 0.038 4.595 4.556 0.001 0.000 0.298 608 H C 1.977 177.263 175.328 -0.071 0.000 1.059 608 H CA 0.765 56.803 56.048 -0.016 0.000 1.363 608 H CB 0.264 30.090 29.762 0.106 0.000 1.410 608 H HN 0.149 nan 8.280 nan 0.000 0.528 609 E N 0.956 121.161 120.200 0.008 0.000 2.058 609 E HA -0.198 4.152 4.350 0.001 0.000 0.194 609 E C 1.124 177.589 176.600 -0.226 0.000 0.997 609 E CA 1.342 57.654 56.400 -0.148 0.000 0.801 609 E CB 0.125 29.646 29.700 -0.299 0.000 0.746 609 E HN 0.402 nan 8.360 nan 0.000 0.450 610 D N -0.470 119.790 120.400 -0.234 0.000 2.348 610 D HA -0.063 4.578 4.640 0.001 0.000 0.216 610 D C 0.691 176.881 176.300 -0.185 0.000 0.970 610 D CA 0.834 54.687 54.000 -0.246 0.000 0.889 610 D CB 0.137 40.747 40.800 -0.316 0.000 0.912 610 D HN 0.275 nan 8.370 nan 0.000 0.524 611 M N -1.028 118.477 119.600 -0.158 0.000 2.972 611 M HA 0.293 4.774 4.480 0.001 0.000 0.323 611 M C 0.739 176.963 176.300 -0.126 0.000 1.213 611 M CA -0.215 54.975 55.300 -0.184 0.000 0.935 611 M CB 1.272 33.673 32.600 -0.330 0.000 1.289 611 M HN 0.017 nan 8.290 nan 0.000 0.525 612 G N 1.244 109.994 108.800 -0.082 0.000 2.175 612 G HA2 -0.270 3.691 3.960 0.001 0.000 0.244 612 G HA3 -0.270 3.691 3.960 0.001 0.000 0.244 612 G C 0.232 175.151 174.900 0.033 0.000 0.982 612 G CA -0.204 44.896 45.100 -0.000 0.000 0.641 612 G HN 0.535 nan 8.290 nan 0.000 0.527 613 M N 0.881 120.487 119.600 0.009 0.000 3.596 613 M HA 0.743 5.224 4.480 0.001 0.000 0.219 613 M C 0.051 176.386 176.300 0.058 0.000 1.471 613 M CA 0.254 55.585 55.300 0.052 0.000 1.644 613 M CB -0.274 32.375 32.600 0.080 0.000 1.083 613 M HN 0.405 nan 8.290 nan 0.000 0.579 614 M N 1.354 120.975 119.600 0.035 0.000 2.490 614 M HA 0.510 4.990 4.480 0.001 0.000 0.286 614 M C -1.932 174.402 176.300 0.058 0.000 1.185 614 M CA -0.653 54.653 55.300 0.010 0.000 0.912 614 M CB 1.688 34.169 32.600 -0.198 0.000 1.744 614 M HN 0.233 nan 8.290 nan 0.000 0.494 615 R N 2.928 123.347 120.500 -0.135 0.000 2.651 615 R HA 0.644 4.985 4.340 0.001 0.000 0.278 615 R C -2.957 173.366 176.300 0.040 0.000 1.010 615 R CA -1.587 54.407 56.100 -0.177 0.000 0.896 615 R CB 2.255 32.143 30.300 -0.688 0.000 1.211 615 R HN 0.431 nan 8.270 nan 0.000 0.456 616 P HA 0.293 nan 4.420 nan 0.000 0.274 616 P C -0.913 176.631 177.300 0.407 0.000 1.231 616 P CA -0.124 63.151 63.100 0.293 0.000 0.790 616 P CB 0.516 32.321 31.700 0.174 0.000 0.951 617 F N -0.069 120.112 119.950 0.386 0.000 2.629 617 F HA 0.758 5.286 4.527 0.001 0.000 0.316 617 F C -1.657 174.360 175.800 0.361 0.000 1.081 617 F CA -1.448 56.797 58.000 0.408 0.000 0.954 617 F CB 1.103 40.477 39.000 0.624 0.000 1.337 617 F HN 0.022 nan 8.300 nan 0.000 0.474 618 V N 2.437 122.645 119.914 0.491 0.000 2.588 618 V HA 0.625 4.746 4.120 0.001 0.000 0.304 618 V C -0.861 175.488 176.094 0.425 0.000 1.042 618 V CA -0.792 61.698 62.300 0.316 0.000 0.877 618 V CB 1.675 33.594 31.823 0.161 0.000 0.996 618 V HN 0.781 nan 8.190 nan 0.000 0.425 619 V N 6.027 126.219 119.914 0.464 0.000 2.495 619 V HA 0.643 4.764 4.120 0.001 0.000 0.298 619 V C -0.135 176.214 176.094 0.425 0.000 1.031 619 V CA -0.342 62.232 62.300 0.457 0.000 0.871 619 V CB 1.707 33.861 31.823 0.552 0.000 0.988 619 V HN 0.861 nan 8.190 nan 0.000 0.432 620 M N 5.030 124.842 119.600 0.354 0.000 2.575 620 M HA 0.499 4.979 4.480 0.001 0.000 0.284 620 M C -2.906 173.527 176.300 0.222 0.000 1.253 620 M CA -1.817 53.624 55.300 0.235 0.000 0.861 620 M CB 3.432 36.099 32.600 0.111 0.000 1.733 620 M HN 0.323 nan 8.290 nan 0.000 0.462 621 P HA 0.095 nan 4.420 nan 0.000 0.265 621 P C -2.300 175.055 177.300 0.091 0.000 1.193 621 P CA -0.793 62.350 63.100 0.072 0.000 0.765 621 P CB -0.155 31.483 31.700 -0.103 0.000 0.823 622 P HA -0.222 nan 4.420 nan 0.000 0.217 622 P C 1.110 178.444 177.300 0.057 0.000 1.151 622 P CA 1.629 64.776 63.100 0.078 0.000 0.849 622 P CB -0.070 31.675 31.700 0.075 0.000 0.787 623 E N -0.465 119.775 120.200 0.067 0.000 2.160 623 E HA -0.131 4.220 4.350 0.001 0.000 0.195 623 E C 2.052 178.747 176.600 0.159 0.000 0.991 623 E CA 1.539 57.990 56.400 0.086 0.000 0.810 623 E CB -1.025 28.729 29.700 0.091 0.000 0.742 623 E HN 0.232 nan 8.360 nan 0.000 0.466 624 A N -0.147 122.759 122.820 0.142 0.000 2.123 624 A HA 0.029 4.350 4.320 0.001 0.000 0.214 624 A C 1.878 179.586 177.584 0.207 0.000 1.152 624 A CA 0.316 52.487 52.037 0.224 0.000 0.728 624 A CB -0.137 18.910 19.000 0.078 0.000 0.814 624 A HN 0.173 nan 8.150 nan 0.000 0.464 625 L N -0.294 120.986 121.223 0.095 0.000 2.217 625 L HA -0.032 4.309 4.340 0.001 0.000 0.211 625 L C 2.023 178.867 176.870 -0.043 0.000 1.107 625 L CA 1.285 56.153 54.840 0.047 0.000 0.783 625 L CB -0.238 41.844 42.059 0.039 0.000 0.919 625 L HN 0.160 nan 8.230 nan 0.000 0.442 626 K N -0.670 119.631 120.400 -0.164 0.000 2.286 626 K HA -0.145 4.176 4.320 0.001 0.000 0.203 626 K C 1.315 177.566 176.600 -0.580 0.000 1.045 626 K CA 1.362 57.384 56.287 -0.442 0.000 0.935 626 K CB -0.407 31.665 32.500 -0.714 0.000 0.737 626 K HN 0.310 nan 8.250 nan 0.000 0.460 627 F N 0.547 120.496 119.950 -0.003 0.000 2.639 627 F HA 0.133 4.661 4.527 0.001 0.000 0.300 627 F C 0.185 175.982 175.800 -0.005 0.000 1.109 627 F CA -0.516 57.480 58.000 -0.006 0.000 1.335 627 F CB -0.165 38.828 39.000 -0.013 0.000 1.014 627 F HN 0.066 nan 8.300 nan 0.000 0.537 628 D N 0.000 120.451 120.400 0.084 0.000 6.856 628 D HA 0.000 4.641 4.640 0.001 0.000 0.175 628 D CA 0.000 54.032 54.000 0.053 0.000 0.868 628 D CB 0.000 40.831 40.800 0.052 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683