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 2h2p_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLYSA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.292 176.300 -0.013 0.000 0.893 18 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 18 R CB 0.000 30.294 30.300 -0.009 0.000 0.687 19 R N 1.685 122.179 120.500 -0.011 0.000 2.198 19 R HA -0.274 4.065 4.340 -0.002 0.000 0.258 19 R C 1.923 178.216 176.300 -0.012 0.000 1.173 19 R CA 2.299 58.393 56.100 -0.010 0.000 0.991 19 R CB -0.550 29.745 30.300 -0.008 0.000 0.879 19 R HN 0.544 nan 8.270 nan 0.000 0.460 20 Q N 0.756 120.547 119.800 -0.015 0.000 2.046 20 Q HA -0.162 4.177 4.340 -0.002 0.000 0.200 20 Q C 2.168 178.157 176.000 -0.020 0.000 0.975 20 Q CA 1.261 57.052 55.803 -0.019 0.000 0.836 20 Q CB -0.145 28.578 28.738 -0.025 0.000 0.896 20 Q HN 0.220 nan 8.270 nan 0.000 0.428 21 L N 1.318 122.529 121.223 -0.021 0.000 1.991 21 L HA -0.259 4.080 4.340 -0.002 0.000 0.221 21 L C 2.138 179.001 176.870 -0.012 0.000 1.079 21 L CA 1.958 56.787 54.840 -0.019 0.000 0.778 21 L CB -0.815 41.233 42.059 -0.017 0.000 0.893 21 L HN 0.411 nan 8.230 nan 0.000 0.437 22 I N -0.789 119.775 120.570 -0.010 0.000 2.236 22 I HA -0.364 3.804 4.170 -0.002 0.000 0.249 22 I C 2.656 178.769 176.117 -0.006 0.000 1.102 22 I CA 1.702 62.998 61.300 -0.007 0.000 1.365 22 I CB -0.448 37.548 38.000 -0.006 0.000 1.051 22 I HN 0.393 nan 8.210 nan 0.000 0.420 23 R N 1.237 121.732 120.500 -0.008 0.000 2.062 23 R HA -0.126 4.213 4.340 -0.002 0.000 0.229 23 R C 2.140 178.436 176.300 -0.006 0.000 1.128 23 R CA 1.599 57.695 56.100 -0.007 0.000 0.960 23 R CB -0.605 29.690 30.300 -0.008 0.000 0.855 23 R HN 0.361 nan 8.270 nan 0.000 0.432 24 Q N 0.252 120.046 119.800 -0.009 0.000 2.030 24 Q HA -0.153 4.186 4.340 -0.002 0.000 0.204 24 Q C 2.252 178.252 176.000 -0.000 0.000 0.986 24 Q CA 2.029 57.827 55.803 -0.007 0.000 0.843 24 Q CB -0.340 28.388 28.738 -0.016 0.000 0.904 24 Q HN 0.295 nan 8.270 nan 0.000 0.420 25 L N 0.522 121.744 121.223 -0.001 0.000 1.991 25 L HA -0.288 4.051 4.340 -0.002 0.000 0.221 25 L C 2.300 179.172 176.870 0.002 0.000 1.079 25 L CA 1.392 56.234 54.840 0.002 0.000 0.778 25 L CB -0.577 41.482 42.059 -0.000 0.000 0.893 25 L HN 0.283 nan 8.230 nan 0.000 0.437 26 L N -0.828 120.395 121.223 0.000 0.000 2.549 26 L HA -0.157 4.181 4.340 -0.002 0.000 0.230 26 L C 1.783 178.654 176.870 0.002 0.000 1.162 26 L CA 0.623 55.463 54.840 0.000 0.000 0.834 26 L CB -0.331 41.727 42.059 -0.001 0.000 0.947 26 L HN 0.311 nan 8.230 nan 0.000 0.452 27 E N -0.599 119.603 120.200 0.004 0.000 2.562 27 E HA 0.121 4.470 4.350 -0.002 0.000 0.214 27 E C 0.424 177.031 176.600 0.012 0.000 0.979 27 E CA -0.144 56.260 56.400 0.007 0.000 1.002 27 E CB 0.418 30.122 29.700 0.006 0.000 1.048 27 E HN 0.314 nan 8.360 nan 0.000 0.488 28 R N 1.853 122.360 120.500 0.013 0.000 2.756 28 R HA -0.065 4.274 4.340 -0.002 0.000 0.264 28 R C -0.288 176.022 176.300 0.017 0.000 1.026 28 R CA 0.347 56.459 56.100 0.019 0.000 1.121 28 R CB 0.200 30.512 30.300 0.019 0.000 0.999 28 R HN -0.129 nan 8.270 nan 0.000 0.449 29 D N 1.844 122.257 120.400 0.022 0.000 3.038 29 D HA -0.171 4.468 4.640 -0.002 0.000 0.229 29 D C -1.252 175.056 176.300 0.013 0.000 1.182 29 D CA 1.318 55.328 54.000 0.017 0.000 0.852 29 D CB -0.314 40.490 40.800 0.008 0.000 0.932 29 D HN 0.549 nan 8.370 nan 0.000 0.406 30 K N 1.171 121.581 120.400 0.018 0.000 3.350 30 K HA 0.171 4.489 4.320 -0.002 0.000 0.181 30 K C -0.442 176.170 176.600 0.020 0.000 1.064 30 K CA -0.590 55.706 56.287 0.015 0.000 0.839 30 K CB 0.816 33.324 32.500 0.013 0.000 0.819 30 K HN 0.116 nan 8.250 nan 0.000 0.523 31 T N 3.155 117.723 114.554 0.023 0.000 2.867 31 T HA 0.084 4.432 4.350 -0.002 0.000 0.297 31 T C -2.302 172.414 174.700 0.027 0.000 0.989 31 T CA -0.881 61.236 62.100 0.028 0.000 1.159 31 T CB 0.119 69.006 68.868 0.031 0.000 0.928 31 T HN 0.063 nan 8.240 nan 0.000 0.538 32 P HA -0.005 nan 4.420 nan 0.000 0.259 32 P C 1.077 178.395 177.300 0.030 0.000 1.163 32 P CA 0.019 63.134 63.100 0.026 0.000 0.760 32 P CB 0.333 32.051 31.700 0.029 0.000 0.762 33 L N 3.769 125.005 121.223 0.021 0.000 2.137 33 L HA -0.321 4.017 4.340 -0.002 0.000 0.213 33 L C 1.985 178.884 176.870 0.048 0.000 1.085 33 L CA 2.054 56.910 54.840 0.027 0.000 0.760 33 L CB -0.412 41.647 42.059 0.001 0.000 0.893 33 L HN 0.445 nan 8.230 nan 0.000 0.434 34 A N -0.180 122.660 122.820 0.033 0.000 1.898 34 A HA -0.169 4.149 4.320 -0.002 0.000 0.216 34 A C 2.117 179.753 177.584 0.086 0.000 1.181 34 A CA 1.648 53.714 52.037 0.048 0.000 0.620 34 A CB -0.599 18.414 19.000 0.022 0.000 0.819 34 A HN 0.487 nan 8.150 nan 0.000 0.442 35 I N -0.085 120.522 120.570 0.062 0.000 2.202 35 I HA -0.222 3.946 4.170 -0.002 0.000 0.242 35 I C 2.040 178.190 176.117 0.056 0.000 1.091 35 I CA 1.045 62.377 61.300 0.053 0.000 1.368 35 I CB -0.379 37.647 38.000 0.044 0.000 1.058 35 I HN 0.268 nan 8.210 nan 0.000 0.410 36 L N -0.329 120.933 121.223 0.067 0.000 2.447 36 L HA -0.226 4.113 4.340 -0.002 0.000 0.225 36 L C 2.290 179.216 176.870 0.093 0.000 1.148 36 L CA 1.175 56.054 54.840 0.066 0.000 0.808 36 L CB -0.525 41.573 42.059 0.064 0.000 0.928 36 L HN 0.288 nan 8.230 nan 0.000 0.448 37 F N -0.564 119.357 119.950 -0.048 0.000 2.437 37 F HA 0.019 4.545 4.527 -0.003 0.000 0.288 37 F C 2.353 178.096 175.800 -0.095 0.000 1.085 37 F CA 0.509 58.467 58.000 -0.070 0.000 1.430 37 F CB 0.124 39.070 39.000 -0.090 0.000 1.120 37 F HN -0.108 nan 8.300 nan 0.000 0.556 38 M N 0.569 120.130 119.600 -0.064 0.000 2.229 38 M HA -0.044 4.435 4.480 -0.002 0.000 0.264 38 M C 2.495 178.683 176.300 -0.186 0.000 1.063 38 M CA 1.368 56.564 55.300 -0.175 0.000 1.114 38 M CB -1.817 30.747 32.600 -0.060 0.000 1.387 38 M HN 0.299 nan 8.290 nan 0.000 0.420 39 A N 0.435 123.186 122.820 -0.116 0.000 1.917 39 A HA -0.089 4.230 4.320 -0.002 0.000 0.219 39 A C 2.413 179.913 177.584 -0.141 0.000 1.182 39 A CA 2.240 54.222 52.037 -0.090 0.000 0.633 39 A CB -0.925 18.053 19.000 -0.037 0.000 0.819 39 A HN 0.486 nan 8.150 nan 0.000 0.448 40 A N -1.097 121.590 122.820 -0.222 0.000 2.019 40 A HA 0.037 4.356 4.320 -0.002 0.000 0.219 40 A C 2.280 179.692 177.584 -0.287 0.000 1.164 40 A CA 1.810 53.690 52.037 -0.260 0.000 0.644 40 A CB -0.695 18.083 19.000 -0.370 0.000 0.805 40 A HN 0.804 nan 8.150 nan 0.000 0.449 41 V N -1.077 118.627 119.914 -0.350 0.000 2.685 41 V HA -0.072 4.047 4.120 -0.002 0.000 0.244 41 V C 2.316 178.318 176.094 -0.153 0.000 1.054 41 V CA 1.590 63.732 62.300 -0.265 0.000 1.076 41 V CB 0.017 31.653 31.823 -0.311 0.000 0.725 41 V HN 0.273 nan 8.190 nan 0.000 0.467 42 V N 1.159 120.991 119.914 -0.138 0.000 2.255 42 V HA -0.172 3.946 4.120 -0.002 0.000 0.247 42 V C 2.717 178.759 176.094 -0.086 0.000 1.051 42 V CA 2.408 64.648 62.300 -0.101 0.000 1.018 42 V CB -1.444 30.326 31.823 -0.088 0.000 0.641 42 V HN 0.625 nan 8.190 nan 0.000 0.445 43 G N -0.555 108.196 108.800 -0.082 0.000 2.459 43 G HA2 -0.276 3.682 3.960 -0.002 0.000 0.217 43 G HA3 -0.276 3.682 3.960 -0.002 0.000 0.217 43 G C 1.687 176.560 174.900 -0.044 0.000 1.183 43 G CA 1.613 46.678 45.100 -0.057 0.000 0.776 43 G HN 0.464 nan 8.290 nan 0.000 0.552 44 T N 1.401 115.921 114.554 -0.057 0.000 2.737 44 T HA -0.086 4.263 4.350 -0.002 0.000 0.269 44 T C 2.391 177.073 174.700 -0.029 0.000 1.040 44 T CA 1.134 63.214 62.100 -0.033 0.000 1.142 44 T CB -0.185 68.653 68.868 -0.050 0.000 0.861 44 T HN 0.158 nan 8.240 nan 0.000 0.456 45 L N 0.419 121.611 121.223 -0.051 0.000 2.044 45 L HA -0.027 4.312 4.340 -0.002 0.000 0.205 45 L C 2.699 179.537 176.870 -0.053 0.000 1.075 45 L CA 0.769 55.575 54.840 -0.056 0.000 0.747 45 L CB -0.693 41.323 42.059 -0.073 0.000 0.903 45 L HN 0.125 nan 8.230 nan 0.000 0.435 46 V N 0.443 120.324 119.914 -0.056 0.000 2.392 46 V HA -0.234 3.885 4.120 -0.002 0.000 0.249 46 V C 2.566 178.646 176.094 -0.023 0.000 1.059 46 V CA 2.000 64.269 62.300 -0.051 0.000 1.051 46 V CB -1.379 30.408 31.823 -0.059 0.000 0.658 46 V HN 0.580 nan 8.190 nan 0.000 0.455 47 G N -0.117 108.681 108.800 -0.003 0.000 2.464 47 G HA2 -0.187 3.771 3.960 -0.002 0.000 0.214 47 G HA3 -0.187 3.771 3.960 -0.002 0.000 0.214 47 G C 1.550 176.462 174.900 0.020 0.000 1.218 47 G CA 0.921 46.044 45.100 0.039 0.000 0.794 47 G HN 0.435 nan 8.290 nan 0.000 0.542 48 L N 0.911 122.129 121.223 -0.008 0.000 2.051 48 L HA -0.211 4.127 4.340 -0.002 0.000 0.214 48 L C 3.416 180.240 176.870 -0.078 0.000 1.076 48 L CA 1.311 56.107 54.840 -0.074 0.000 0.758 48 L CB -0.503 41.522 42.059 -0.058 0.000 0.890 48 L HN 0.347 nan 8.230 nan 0.000 0.433 49 A N -0.015 122.784 122.820 -0.035 0.000 1.835 49 A HA -0.165 4.153 4.320 -0.002 0.000 0.215 49 A C 2.561 180.211 177.584 0.110 0.000 1.199 49 A CA 1.739 53.783 52.037 0.013 0.000 0.615 49 A CB -1.005 17.982 19.000 -0.021 0.000 0.838 49 A HN 0.385 nan 8.150 nan 0.000 0.444 50 A N -0.762 122.099 122.820 0.068 0.000 1.997 50 A HA -0.100 4.218 4.320 -0.002 0.000 0.221 50 A C 2.240 179.914 177.584 0.151 0.000 1.172 50 A CA 2.151 54.243 52.037 0.092 0.000 0.645 50 A CB -0.982 18.042 19.000 0.040 0.000 0.813 50 A HN 0.436 nan 8.150 nan 0.000 0.454 51 V N -0.614 119.344 119.914 0.072 0.000 2.283 51 V HA -0.178 3.940 4.120 -0.002 0.000 0.243 51 V C 3.058 179.138 176.094 -0.023 0.000 1.039 51 V CA 1.813 64.109 62.300 -0.006 0.000 1.016 51 V CB -1.192 30.511 31.823 -0.201 0.000 0.650 51 V HN 0.634 nan 8.190 nan 0.000 0.449 52 A N -0.397 122.411 122.820 -0.020 0.000 1.917 52 A HA -0.289 4.030 4.320 -0.002 0.000 0.219 52 A C 2.126 179.777 177.584 0.112 0.000 1.182 52 A CA 2.292 54.349 52.037 0.033 0.000 0.633 52 A CB -0.789 18.260 19.000 0.082 0.000 0.819 52 A HN 0.552 nan 8.150 nan 0.000 0.448 53 F N 0.911 120.882 119.950 0.035 0.000 2.102 53 F HA -0.182 4.343 4.527 -0.002 0.000 0.298 53 F C 1.884 177.577 175.800 -0.179 0.000 1.105 53 F CA 2.183 60.035 58.000 -0.247 0.000 1.239 53 F CB -0.372 38.489 39.000 -0.231 0.000 0.991 53 F HN 0.327 nan 8.300 nan 0.000 0.474 54 D N 0.175 120.610 120.400 0.060 0.000 2.104 54 D HA -0.182 4.457 4.640 -0.002 0.000 0.194 54 D C 2.123 178.379 176.300 -0.074 0.000 0.994 54 D CA 1.333 55.342 54.000 0.015 0.000 0.830 54 D CB -0.062 40.824 40.800 0.144 0.000 0.959 54 D HN 0.068 nan 8.370 nan 0.000 0.452 55 K N -0.096 120.270 120.400 -0.057 0.000 2.097 55 K HA -0.037 4.281 4.320 -0.002 0.000 0.206 55 K C 2.122 178.693 176.600 -0.049 0.000 1.049 55 K CA 1.110 57.375 56.287 -0.037 0.000 0.933 55 K CB -0.747 31.728 32.500 -0.042 0.000 0.717 55 K HN 0.261 nan 8.250 nan 0.000 0.442 56 G N 1.004 109.710 108.800 -0.156 0.000 2.414 56 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.215 56 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.215 56 G C 1.612 176.418 174.900 -0.157 0.000 1.188 56 G CA 0.718 45.714 45.100 -0.174 0.000 0.783 56 G HN 0.121 nan 8.290 nan 0.000 0.537 57 V N 1.621 121.316 119.914 -0.364 0.000 2.660 57 V HA -0.158 3.961 4.120 -0.002 0.000 0.257 57 V C 3.072 179.113 176.094 -0.088 0.000 1.088 57 V CA 1.856 63.987 62.300 -0.282 0.000 1.106 57 V CB -0.804 30.794 31.823 -0.374 0.000 0.686 57 V HN 0.532 nan 8.190 nan 0.000 0.481 58 A N -0.815 121.988 122.820 -0.029 0.000 1.831 58 A HA -0.189 4.130 4.320 -0.002 0.000 0.213 58 A C 1.878 179.508 177.584 0.077 0.000 1.223 58 A CA 1.258 53.314 52.037 0.031 0.000 0.604 58 A CB -1.090 17.940 19.000 0.051 0.000 0.878 58 A HN 0.593 nan 8.150 nan 0.000 0.450 59 W N 0.797 122.058 121.300 -0.065 0.000 2.276 59 W HA -0.297 4.362 4.660 -0.002 0.000 0.307 59 W C 1.729 178.217 176.519 -0.052 0.000 1.240 59 W CA 2.485 59.800 57.345 -0.049 0.000 1.249 59 W CB -0.238 29.192 29.460 -0.050 0.000 1.140 59 W HN 0.311 nan 8.180 nan 0.000 0.519 60 L N -0.746 120.570 121.223 0.155 0.000 2.034 60 L HA -0.196 4.142 4.340 -0.002 0.000 0.203 60 L C 2.663 179.472 176.870 -0.102 0.000 1.074 60 L CA 1.458 56.305 54.840 0.012 0.000 0.748 60 L CB -1.346 40.764 42.059 0.084 0.000 0.905 60 L HN -0.073 nan 8.230 nan 0.000 0.439 61 Q N -0.101 119.666 119.800 -0.054 0.000 2.308 61 Q HA -0.244 4.095 4.340 -0.002 0.000 0.209 61 Q C 1.924 177.876 176.000 -0.080 0.000 0.985 61 Q CA 1.454 57.228 55.803 -0.049 0.000 0.881 61 Q CB -0.214 28.515 28.738 -0.014 0.000 0.917 61 Q HN 0.471 nan 8.270 nan 0.000 0.443 62 N N -0.124 118.498 118.700 -0.130 0.000 2.182 62 N HA -0.136 4.603 4.740 -0.002 0.000 0.186 62 N C 1.590 176.945 175.510 -0.258 0.000 1.036 62 N CA 0.761 53.711 53.050 -0.166 0.000 0.850 62 N CB 0.162 38.547 38.487 -0.170 0.000 1.010 62 N HN 0.126 nan 8.380 nan 0.000 0.432 63 Q N 1.188 120.711 119.800 -0.461 0.000 2.197 63 Q HA -0.174 4.164 4.340 -0.002 0.000 0.211 63 Q C 2.102 177.928 176.000 -0.290 0.000 0.993 63 Q CA 1.352 56.846 55.803 -0.516 0.000 0.883 63 Q CB -0.454 27.798 28.738 -0.810 0.000 0.916 63 Q HN 0.499 nan 8.270 nan 0.000 0.418 64 R N -0.484 119.884 120.500 -0.220 0.000 2.064 64 R HA 0.003 4.341 4.340 -0.002 0.000 0.228 64 R C 2.323 178.552 176.300 -0.119 0.000 1.144 64 R CA 1.023 57.035 56.100 -0.147 0.000 0.932 64 R CB -0.373 29.863 30.300 -0.108 0.000 0.833 64 R HN 0.203 nan 8.270 nan 0.000 0.429 65 M N 0.676 120.222 119.600 -0.090 0.000 2.255 65 M HA -0.119 4.359 4.480 -0.002 0.000 0.259 65 M C 2.073 178.345 176.300 -0.046 0.000 1.071 65 M CA 1.570 56.843 55.300 -0.045 0.000 1.074 65 M CB -1.018 31.575 32.600 -0.013 0.000 1.384 65 M HN 0.369 nan 8.290 nan 0.000 0.415 66 G N -1.352 107.399 108.800 -0.081 0.000 2.430 66 G HA2 0.038 3.997 3.960 -0.002 0.000 0.216 66 G HA3 0.038 3.997 3.960 -0.002 0.000 0.216 66 G C 1.484 176.369 174.900 -0.025 0.000 1.146 66 G CA 0.777 45.842 45.100 -0.058 0.000 0.793 66 G HN 0.572 nan 8.290 nan 0.000 0.537 67 A N 0.268 123.046 122.820 -0.070 0.000 2.072 67 A HA 0.329 4.647 4.320 -0.002 0.000 0.216 67 A C 2.283 179.838 177.584 -0.049 0.000 1.156 67 A CA 0.360 52.356 52.037 -0.068 0.000 0.701 67 A CB -0.175 18.739 19.000 -0.143 0.000 0.816 67 A HN 0.317 nan 8.150 nan 0.000 0.458 68 L N -0.673 120.497 121.223 -0.089 0.000 2.093 68 L HA -0.120 4.219 4.340 -0.002 0.000 0.208 68 L C 2.442 179.289 176.870 -0.038 0.000 1.085 68 L CA 1.025 55.778 54.840 -0.145 0.000 0.755 68 L CB -0.508 41.395 42.059 -0.259 0.000 0.904 68 L HN 0.255 nan 8.230 nan 0.000 0.435 69 V N -0.818 119.108 119.914 0.019 0.000 2.453 69 V HA -0.271 3.847 4.120 -0.002 0.000 0.247 69 V C 2.495 178.626 176.094 0.061 0.000 1.048 69 V CA 1.436 63.767 62.300 0.051 0.000 1.049 69 V CB -0.781 31.070 31.823 0.047 0.000 0.672 69 V HN 0.518 nan 8.190 nan 0.000 0.457 70 H N 1.430 120.482 119.070 -0.029 0.000 2.518 70 H HA -0.137 4.418 4.556 -0.002 0.000 0.294 70 H C 1.545 176.861 175.328 -0.020 0.000 1.083 70 H CA 1.940 57.972 56.048 -0.026 0.000 1.264 70 H CB 0.089 29.827 29.762 -0.039 0.000 1.370 70 H HN 0.620 nan 8.280 nan 0.000 0.560 71 T N -3.903 110.742 114.554 0.151 0.000 3.399 71 T HA 0.523 4.871 4.350 -0.002 0.000 0.305 71 T C 1.638 176.370 174.700 0.053 0.000 0.983 71 T CA 0.208 62.370 62.100 0.104 0.000 0.967 71 T CB -0.106 68.823 68.868 0.103 0.000 1.186 71 T HN 0.266 nan 8.240 nan 0.000 0.504 72 A N 2.515 125.367 122.820 0.052 0.000 2.104 72 A HA -0.234 4.085 4.320 -0.002 0.000 0.223 72 A C 1.908 179.551 177.584 0.099 0.000 1.164 72 A CA 2.264 54.349 52.037 0.080 0.000 0.659 72 A CB -0.833 18.215 19.000 0.081 0.000 0.808 72 A HN 0.819 nan 8.150 nan 0.000 0.465 73 D N -0.101 120.343 120.400 0.073 0.000 2.085 73 D HA -0.105 4.533 4.640 -0.002 0.000 0.199 73 D C 0.926 177.288 176.300 0.104 0.000 0.981 73 D CA 0.912 54.958 54.000 0.077 0.000 0.834 73 D CB -0.657 40.172 40.800 0.048 0.000 0.992 73 D HN 0.264 nan 8.370 nan 0.000 0.457 74 N N -0.106 118.646 118.700 0.086 0.000 2.399 74 N HA -0.037 4.702 4.740 -0.002 0.000 0.259 74 N C -0.053 175.530 175.510 0.122 0.000 1.160 74 N CA -0.164 52.944 53.050 0.096 0.000 0.946 74 N CB -0.016 38.505 38.487 0.057 0.000 1.156 74 N HN 0.186 nan 8.380 nan 0.000 0.489 75 Y N 6.894 127.223 120.300 0.048 0.000 2.060 75 Y HA -0.044 4.505 4.550 -0.002 0.000 0.276 75 Y C -0.867 175.065 175.900 0.053 0.000 1.127 75 Y CA 1.890 60.032 58.100 0.071 0.000 1.104 75 Y CB -1.077 37.428 38.460 0.075 0.000 0.983 75 Y HN 0.488 nan 8.280 nan 0.000 0.483 76 P HA -0.232 nan 4.420 nan 0.000 0.217 76 P C 1.736 178.998 177.300 -0.062 0.000 1.148 76 P CA 1.731 64.845 63.100 0.024 0.000 0.834 76 P CB -0.218 31.537 31.700 0.092 0.000 0.783 77 L N -1.364 119.839 121.223 -0.034 0.000 2.042 77 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 77 L C 1.969 178.775 176.870 -0.106 0.000 1.076 77 L CA 1.969 56.780 54.840 -0.048 0.000 0.749 77 L CB -1.479 40.571 42.059 -0.016 0.000 0.893 77 L HN -0.128 nan 8.230 nan 0.000 0.432 78 L N -0.801 120.320 121.223 -0.170 0.000 1.961 78 L HA -0.202 4.136 4.340 -0.002 0.000 0.210 78 L C 2.509 179.191 176.870 -0.313 0.000 1.072 78 L CA 1.881 56.550 54.840 -0.285 0.000 0.749 78 L CB -1.097 40.731 42.059 -0.386 0.000 0.889 78 L HN 0.222 nan 8.230 nan 0.000 0.432 79 L N -1.300 119.724 121.223 -0.332 0.000 2.151 79 L HA -0.329 4.009 4.340 -0.002 0.000 0.215 79 L C 2.343 179.162 176.870 -0.084 0.000 1.084 79 L CA 1.665 56.387 54.840 -0.197 0.000 0.764 79 L CB -1.043 40.911 42.059 -0.174 0.000 0.891 79 L HN 0.376 nan 8.230 nan 0.000 0.435 80 T N -0.396 114.101 114.554 -0.095 0.000 2.643 80 T HA -0.139 4.209 4.350 -0.002 0.000 0.256 80 T C 1.890 176.598 174.700 0.013 0.000 1.061 80 T CA 1.614 63.690 62.100 -0.041 0.000 1.163 80 T CB -0.328 68.504 68.868 -0.060 0.000 0.865 80 T HN 0.342 nan 8.240 nan 0.000 0.407 81 V N 0.962 120.847 119.914 -0.050 0.000 2.794 81 V HA -0.072 4.046 4.120 -0.002 0.000 0.260 81 V C 2.381 178.434 176.094 -0.068 0.000 1.103 81 V CA 1.572 63.839 62.300 -0.055 0.000 1.125 81 V CB -1.522 30.243 31.823 -0.096 0.000 0.702 81 V HN 0.451 nan 8.190 nan 0.000 0.494 82 A N 0.167 122.930 122.820 -0.096 0.000 1.874 82 A HA 0.025 4.344 4.320 -0.002 0.000 0.214 82 A C 2.021 179.611 177.584 0.009 0.000 1.189 82 A CA 1.494 53.466 52.037 -0.108 0.000 0.615 82 A CB -0.782 18.100 19.000 -0.196 0.000 0.830 82 A HN 0.650 nan 8.150 nan 0.000 0.443 83 F N 0.868 120.773 119.950 -0.076 0.000 2.113 83 F HA -0.093 4.433 4.527 -0.002 0.000 0.297 83 F C 1.849 177.633 175.800 -0.026 0.000 1.103 83 F CA 1.491 59.471 58.000 -0.033 0.000 1.248 83 F CB -0.386 38.598 39.000 -0.026 0.000 0.999 83 F HN 0.134 nan 8.300 nan 0.000 0.475 84 L N -0.637 120.792 121.223 0.343 0.000 1.943 84 L HA -0.307 4.031 4.340 -0.002 0.000 0.215 84 L C 2.779 179.659 176.870 0.016 0.000 1.074 84 L CA 1.699 56.659 54.840 0.200 0.000 0.759 84 L CB -1.413 40.730 42.059 0.140 0.000 0.888 84 L HN 0.247 nan 8.230 nan 0.000 0.433 85 C N -0.481 118.813 119.300 -0.010 0.000 2.392 85 C HA -0.245 4.214 4.460 -0.002 0.000 0.276 85 C C 3.214 178.171 174.990 -0.055 0.000 1.212 85 C CA 1.686 60.678 59.018 -0.043 0.000 1.791 85 C CB -0.758 26.942 27.740 -0.066 0.000 2.063 85 C HN 0.535 nan 8.230 nan 0.000 0.481 86 S N -0.408 115.240 115.700 -0.086 0.000 2.406 86 S HA 0.054 4.523 4.470 -0.002 0.000 0.224 86 S C 2.088 176.613 174.600 -0.125 0.000 1.030 86 S CA 0.924 59.066 58.200 -0.096 0.000 0.958 86 S CB -0.298 62.833 63.200 -0.116 0.000 0.811 86 S HN 0.740 nan 8.310 nan 0.000 0.489 87 A N 1.239 123.918 122.820 -0.236 0.000 1.902 87 A HA -0.039 4.280 4.320 -0.002 0.000 0.217 87 A C 2.218 179.769 177.584 -0.055 0.000 1.181 87 A CA 1.392 53.283 52.037 -0.245 0.000 0.623 87 A CB -0.878 17.904 19.000 -0.364 0.000 0.818 87 A HN 0.336 nan 8.150 nan 0.000 0.443 88 V N -0.003 119.901 119.914 -0.017 0.000 2.720 88 V HA -0.206 3.913 4.120 -0.002 0.000 0.256 88 V C 2.405 178.550 176.094 0.086 0.000 1.082 88 V CA 1.675 63.997 62.300 0.037 0.000 1.101 88 V CB -0.629 31.206 31.823 0.020 0.000 0.693 88 V HN 0.532 nan 8.190 nan 0.000 0.479 89 L N -0.405 120.859 121.223 0.068 0.000 2.102 89 L HA 0.039 4.378 4.340 -0.002 0.000 0.202 89 L C 2.748 179.752 176.870 0.224 0.000 1.076 89 L CA 1.185 56.098 54.840 0.123 0.000 0.761 89 L CB -0.776 41.321 42.059 0.063 0.000 0.921 89 L HN 0.309 nan 8.230 nan 0.000 0.444 90 A N 0.124 123.047 122.820 0.172 0.000 1.883 90 A HA -0.270 4.049 4.320 -0.002 0.000 0.217 90 A C 2.305 180.112 177.584 0.371 0.000 1.186 90 A CA 1.923 54.121 52.037 0.268 0.000 0.624 90 A CB -0.522 18.582 19.000 0.174 0.000 0.822 90 A HN 0.302 nan 8.150 nan 0.000 0.444 91 M N -2.132 117.607 119.600 0.231 0.000 2.084 91 M HA -0.127 4.352 4.480 -0.002 0.000 0.259 91 M C 2.135 178.631 176.300 0.328 0.000 1.072 91 M CA 2.198 57.630 55.300 0.222 0.000 1.107 91 M CB -0.552 32.122 32.600 0.124 0.000 1.299 91 M HN 0.535 nan 8.290 nan 0.000 0.413 92 F N 0.888 120.944 119.950 0.176 0.000 2.271 92 F HA -0.189 4.336 4.527 -0.002 0.000 0.302 92 F C 1.818 177.780 175.800 0.270 0.000 1.063 92 F CA 1.630 59.759 58.000 0.216 0.000 1.362 92 F CB -0.546 38.544 39.000 0.151 0.000 1.060 92 F HN 0.080 nan 8.300 nan 0.000 0.521 93 G N -1.066 107.947 108.800 0.354 0.000 2.425 93 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.213 93 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.213 93 G C 1.271 176.231 174.900 0.099 0.000 1.201 93 G CA 0.649 45.875 45.100 0.210 0.000 0.799 93 G HN 0.420 nan 8.290 nan 0.000 0.534 94 Y N 0.060 120.400 120.300 0.067 0.000 2.256 94 Y HA -0.042 4.507 4.550 -0.002 0.000 0.288 94 Y C 2.301 178.168 175.900 -0.054 0.000 1.155 94 Y CA 1.053 59.149 58.100 -0.006 0.000 1.203 94 Y CB -0.565 37.934 38.460 0.065 0.000 0.980 94 Y HN 0.254 nan 8.280 nan 0.000 0.530 95 F N 0.256 120.228 119.950 0.036 0.000 1.988 95 F HA -0.310 4.215 4.527 -0.002 0.000 0.296 95 F C 2.113 177.859 175.800 -0.090 0.000 1.178 95 F CA 1.643 59.609 58.000 -0.056 0.000 1.174 95 F CB -0.630 38.325 39.000 -0.074 0.000 0.963 95 F HN -0.136 nan 8.300 nan 0.000 0.489 96 L N 0.147 121.173 121.223 -0.328 0.000 2.230 96 L HA -0.328 4.010 4.340 -0.002 0.000 0.217 96 L C 2.133 178.873 176.870 -0.217 0.000 1.090 96 L CA 1.259 55.902 54.840 -0.329 0.000 0.771 96 L CB -1.096 40.778 42.059 -0.309 0.000 0.892 96 L HN 0.250 nan 8.230 nan 0.000 0.438 97 V N -0.522 119.257 119.914 -0.225 0.000 2.256 97 V HA -0.175 3.944 4.120 -0.002 0.000 0.240 97 V C 2.555 178.466 176.094 -0.306 0.000 1.036 97 V CA 1.525 63.682 62.300 -0.239 0.000 1.008 97 V CB -0.491 31.166 31.823 -0.276 0.000 0.648 97 V HN 0.418 nan 8.190 nan 0.000 0.453 98 R N 0.337 120.603 120.500 -0.389 0.000 2.148 98 R HA -0.111 4.228 4.340 -0.002 0.000 0.227 98 R C 2.119 178.193 176.300 -0.377 0.000 1.103 98 R CA 1.053 56.888 56.100 -0.442 0.000 0.983 98 R CB -0.415 29.580 30.300 -0.507 0.000 0.874 98 R HN 0.397 nan 8.270 nan 0.000 0.451 99 K N 0.842 120.954 120.400 -0.480 0.000 1.974 99 K HA -0.107 4.212 4.320 -0.002 0.000 0.211 99 K C 1.643 177.897 176.600 -0.578 0.000 1.039 99 K CA 1.637 57.523 56.287 -0.667 0.000 0.947 99 K CB -0.370 31.398 32.500 -1.220 0.000 0.735 99 K HN 0.149 nan 8.250 nan 0.000 0.441 100 Y N -1.162 118.935 120.300 -0.338 0.000 2.500 100 Y HA 0.459 5.008 4.550 -0.002 0.000 0.270 100 Y C -0.045 175.751 175.900 -0.173 0.000 1.134 100 Y CA -0.113 57.858 58.100 -0.215 0.000 1.293 100 Y CB 0.782 39.128 38.460 -0.190 0.000 1.063 100 Y HN 0.133 nan 8.280 nan 0.000 0.534 101 A N -0.129 122.657 122.820 -0.057 0.000 2.599 101 A HA 0.394 4.713 4.320 -0.002 0.000 0.300 101 A C -2.564 174.933 177.584 -0.144 0.000 1.151 101 A CA -0.916 51.065 52.037 -0.093 0.000 0.883 101 A CB 0.390 19.338 19.000 -0.087 0.000 1.480 101 A HN -0.071 nan 8.150 nan 0.000 0.401 102 P HA -0.092 nan 4.420 nan 0.000 0.231 102 P C 0.886 178.096 177.300 -0.150 0.000 1.158 102 P CA 1.308 64.294 63.100 -0.189 0.000 0.763 102 P CB 0.304 31.903 31.700 -0.168 0.000 0.805 103 E N -0.224 119.901 120.200 -0.125 0.000 2.170 103 E HA 0.019 4.367 4.350 -0.002 0.000 0.191 103 E C 2.082 178.616 176.600 -0.109 0.000 0.981 103 E CA 0.742 57.078 56.400 -0.107 0.000 0.830 103 E CB -0.847 28.791 29.700 -0.103 0.000 0.775 103 E HN 0.097 nan 8.360 nan 0.000 0.470 104 A N 2.115 124.864 122.820 -0.119 0.000 1.978 104 A HA -0.047 4.272 4.320 -0.002 0.000 0.220 104 A C 1.720 179.234 177.584 -0.116 0.000 1.170 104 A CA 1.249 53.221 52.037 -0.110 0.000 0.636 104 A CB -1.254 17.683 19.000 -0.106 0.000 0.810 104 A HN 0.284 nan 8.150 nan 0.000 0.448 105 G N -2.118 106.595 108.800 -0.145 0.000 2.699 105 G HA2 0.515 4.474 3.960 -0.002 0.000 0.246 105 G HA3 0.515 4.474 3.960 -0.002 0.000 0.246 105 G C 0.875 175.714 174.900 -0.102 0.000 1.219 105 G CA 0.162 45.172 45.100 -0.151 0.000 0.866 105 G HN 1.693 nan 8.290 nan 0.000 0.572 106 G N -0.709 108.027 108.800 -0.108 0.000 2.645 106 G HA2 -0.101 3.857 3.960 -0.002 0.000 0.246 106 G HA3 -0.101 3.857 3.960 -0.002 0.000 0.246 106 G C 1.323 176.297 174.900 0.122 0.000 1.322 106 G CA 0.751 45.774 45.100 -0.128 0.000 0.898 106 G HN 1.649 nan 8.290 nan 0.000 0.573 107 S N -0.825 115.098 115.700 0.372 0.000 2.363 107 S HA 0.229 4.698 4.470 -0.002 0.000 0.218 107 S C 2.398 177.039 174.600 0.068 0.000 1.035 107 S CA 3.401 61.827 58.200 0.376 0.000 1.043 107 S CB -0.726 62.648 63.200 0.289 0.000 0.986 107 S HN 2.850 nan 8.310 nan 0.000 0.423 108 G N -0.564 108.223 108.800 -0.022 0.000 2.205 108 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.180 108 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.180 108 G C 0.756 175.587 174.900 -0.116 0.000 1.004 108 G CA 0.296 45.351 45.100 -0.076 0.000 0.670 108 G HN 0.503 nan 8.290 nan 0.000 0.496 109 I N 1.041 121.498 120.570 -0.189 0.000 2.429 109 I HA 0.043 4.211 4.170 -0.002 0.000 0.247 109 I C -0.016 175.984 176.117 -0.194 0.000 1.099 109 I CA 0.784 61.955 61.300 -0.216 0.000 1.422 109 I CB -0.327 37.439 38.000 -0.389 0.000 1.112 109 I HN 0.044 nan 8.210 nan 0.000 0.430 110 P HA -0.193 nan 4.420 nan 0.000 0.216 110 P C 1.267 178.527 177.300 -0.067 0.000 1.150 110 P CA 1.315 64.346 63.100 -0.116 0.000 0.843 110 P CB -0.018 31.634 31.700 -0.081 0.000 0.787 111 E N -0.794 119.360 120.200 -0.076 0.000 2.110 111 E HA -0.135 4.213 4.350 -0.002 0.000 0.193 111 E C 1.954 178.519 176.600 -0.059 0.000 0.988 111 E CA 1.029 57.392 56.400 -0.063 0.000 0.804 111 E CB -0.618 29.038 29.700 -0.074 0.000 0.745 111 E HN 0.280 nan 8.360 nan 0.000 0.458 112 I N 0.671 121.202 120.570 -0.066 0.000 2.480 112 I HA -0.117 4.052 4.170 -0.002 0.000 0.251 112 I C 2.369 178.457 176.117 -0.047 0.000 1.124 112 I CA 0.666 61.931 61.300 -0.057 0.000 1.444 112 I CB -0.813 37.151 38.000 -0.059 0.000 1.098 112 I HN 0.164 nan 8.210 nan 0.000 0.428 113 E N 1.226 121.398 120.200 -0.047 0.000 2.153 113 E HA -0.165 4.184 4.350 -0.002 0.000 0.194 113 E C 2.256 178.852 176.600 -0.007 0.000 0.988 113 E CA 1.262 57.642 56.400 -0.034 0.000 0.811 113 E CB -0.036 29.652 29.700 -0.020 0.000 0.746 113 E HN 0.466 nan 8.360 nan 0.000 0.466 114 G N 0.724 109.521 108.800 -0.006 0.000 2.394 114 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.214 114 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.214 114 G C 1.671 176.571 174.900 0.000 0.000 1.176 114 G CA 0.764 45.867 45.100 0.006 0.000 0.786 114 G HN 0.380 nan 8.290 nan 0.000 0.533 115 A N 0.514 123.322 122.820 -0.020 0.000 2.032 115 A HA 0.010 4.328 4.320 -0.002 0.000 0.221 115 A C 2.390 179.954 177.584 -0.033 0.000 1.165 115 A CA 1.297 53.316 52.037 -0.030 0.000 0.645 115 A CB -0.378 18.595 19.000 -0.044 0.000 0.807 115 A HN 0.379 nan 8.150 nan 0.000 0.453 116 L N -0.799 120.415 121.223 -0.016 0.000 2.141 116 L HA -0.094 4.244 4.340 -0.002 0.000 0.209 116 L C 1.934 178.850 176.870 0.076 0.000 1.094 116 L CA 0.922 55.771 54.840 0.014 0.000 0.763 116 L CB -0.316 41.756 42.059 0.022 0.000 0.908 116 L HN 0.369 nan 8.230 nan 0.000 0.437 117 E N -0.309 119.927 120.200 0.061 0.000 2.476 117 E HA -0.101 4.248 4.350 -0.002 0.000 0.191 117 E C -0.056 176.586 176.600 0.069 0.000 1.064 117 E CA 0.142 56.593 56.400 0.086 0.000 0.866 117 E CB 0.099 29.846 29.700 0.079 0.000 0.952 117 E HN 0.367 nan 8.360 nan 0.000 0.492 118 D N 0.090 120.510 120.400 0.034 0.000 3.006 118 D HA -0.210 4.429 4.640 -0.002 0.000 0.208 118 D C 0.943 177.255 176.300 0.019 0.000 1.116 118 D CA 0.787 54.797 54.000 0.016 0.000 0.998 118 D CB -0.570 40.255 40.800 0.042 0.000 1.124 118 D HN 0.270 nan 8.370 nan 0.000 0.413 119 Q N -0.260 119.553 119.800 0.022 0.000 2.482 119 Q HA 0.043 4.382 4.340 -0.002 0.000 0.209 119 Q C 0.847 176.851 176.000 0.007 0.000 0.961 119 Q CA 0.887 56.700 55.803 0.017 0.000 0.945 119 Q CB 0.486 29.237 28.738 0.022 0.000 1.012 119 Q HN 0.386 nan 8.270 nan 0.000 0.515 120 R N 0.227 120.726 120.500 -0.001 0.000 2.836 120 R HA 0.557 4.895 4.340 -0.002 0.000 0.269 120 R C -2.531 173.759 176.300 -0.016 0.000 1.010 120 R CA -1.809 54.284 56.100 -0.012 0.000 0.930 120 R CB 0.895 31.182 30.300 -0.022 0.000 1.218 120 R HN -0.088 nan 8.270 nan 0.000 0.473 121 P HA 0.371 nan 4.420 nan 0.000 0.292 121 P C -0.605 176.653 177.300 -0.070 0.000 1.300 121 P CA -0.618 62.466 63.100 -0.026 0.000 0.900 121 P CB 1.608 33.304 31.700 -0.007 0.000 1.139 122 V N 3.472 123.343 119.914 -0.073 0.000 2.180 122 V HA 0.227 4.346 4.120 -0.002 0.000 0.265 122 V C 1.019 176.933 176.094 -0.299 0.000 1.214 122 V CA -0.468 61.766 62.300 -0.111 0.000 1.130 122 V CB -0.692 31.119 31.823 -0.020 0.000 1.266 122 V HN 0.417 nan 8.190 nan 0.000 0.473 123 R N 3.697 123.887 120.500 -0.516 0.000 2.878 123 R HA 0.050 4.388 4.340 -0.002 0.000 0.239 123 R C 1.261 176.819 176.300 -1.236 0.000 1.515 123 R CA -0.183 55.140 56.100 -1.295 0.000 1.210 123 R CB 0.132 29.917 30.300 -0.859 0.000 1.209 123 R HN 0.904 nan 8.270 nan 0.000 0.610 124 W N 2.282 122.962 121.300 -1.033 0.000 2.436 124 W HA -0.146 4.513 4.660 -0.002 0.000 0.284 124 W C 0.743 177.007 176.519 -0.425 0.000 1.225 124 W CA 0.141 57.163 57.345 -0.539 0.000 1.271 124 W CB -0.896 28.407 29.460 -0.262 0.000 1.114 124 W HN 0.529 nan 8.180 nan 0.000 0.559 125 W N 2.018 122.893 121.300 -0.708 0.000 2.389 125 W HA 0.009 4.668 4.660 -0.002 0.000 0.267 125 W C 1.944 178.347 176.519 -0.193 0.000 1.219 125 W CA 1.377 58.373 57.345 -0.582 0.000 1.189 125 W CB -1.266 27.686 29.460 -0.846 0.000 1.129 125 W HN -0.180 nan 8.180 nan 0.000 0.581 126 R N 0.303 120.526 120.500 -0.462 0.000 2.013 126 R HA 0.073 4.412 4.340 -0.002 0.000 0.198 126 R C 2.312 178.525 176.300 -0.145 0.000 1.407 126 R CA 0.790 56.769 56.100 -0.202 0.000 1.140 126 R CB -0.873 29.295 30.300 -0.220 0.000 1.011 126 R HN 0.034 nan 8.270 nan 0.000 0.472 127 V N 2.832 122.621 119.914 -0.208 0.000 2.277 127 V HA -0.330 3.788 4.120 -0.002 0.000 0.253 127 V C 2.495 178.568 176.094 -0.035 0.000 1.067 127 V CA 1.915 64.144 62.300 -0.119 0.000 1.047 127 V CB -0.671 31.064 31.823 -0.146 0.000 0.649 127 V HN 0.298 nan 8.190 nan 0.000 0.447 128 L N 0.376 121.600 121.223 0.002 0.000 1.941 128 L HA -0.175 4.164 4.340 -0.002 0.000 0.224 128 L C 0.535 177.452 176.870 0.079 0.000 1.081 128 L CA 2.719 57.583 54.840 0.040 0.000 0.784 128 L CB -2.254 39.852 42.059 0.079 0.000 0.894 128 L HN 0.364 nan 8.230 nan 0.000 0.436 129 P HA -0.128 nan 4.420 nan 0.000 0.216 129 P C 1.881 179.351 177.300 0.284 0.000 1.150 129 P CA 1.487 64.727 63.100 0.233 0.000 0.837 129 P CB 0.015 31.821 31.700 0.176 0.000 0.786 130 V N 0.716 120.693 119.914 0.105 0.000 2.270 130 V HA -0.200 3.918 4.120 -0.002 0.000 0.245 130 V C 2.825 178.978 176.094 0.097 0.000 1.043 130 V CA 2.156 64.492 62.300 0.061 0.000 1.014 130 V CB -1.152 30.648 31.823 -0.037 0.000 0.645 130 V HN 0.068 nan 8.190 nan 0.000 0.447 131 K N 0.003 120.436 120.400 0.056 0.000 2.032 131 K HA -0.192 4.126 4.320 -0.002 0.000 0.209 131 K C 1.850 178.506 176.600 0.092 0.000 1.048 131 K CA 1.780 58.082 56.287 0.024 0.000 0.927 131 K CB -0.708 31.769 32.500 -0.037 0.000 0.712 131 K HN 0.365 nan 8.250 nan 0.000 0.441 132 F N -0.182 119.750 119.950 -0.029 0.000 1.982 132 F HA -0.198 4.327 4.527 -0.002 0.000 0.296 132 F C 1.780 177.621 175.800 0.068 0.000 1.199 132 F CA 1.960 59.944 58.000 -0.025 0.000 1.174 132 F CB -0.628 38.248 39.000 -0.206 0.000 0.963 132 F HN 0.017 nan 8.300 nan 0.000 0.495 133 F N 0.921 121.153 119.950 0.470 0.000 2.154 133 F HA -0.119 4.407 4.527 -0.002 0.000 0.301 133 F C 2.634 178.609 175.800 0.293 0.000 1.087 133 F CA 1.439 59.649 58.000 0.349 0.000 1.274 133 F CB -1.525 37.724 39.000 0.415 0.000 1.009 133 F HN 0.162 nan 8.300 nan 0.000 0.485 134 G N -0.665 108.337 108.800 0.337 0.000 2.471 134 G HA2 -0.068 3.890 3.960 -0.002 0.000 0.219 134 G HA3 -0.068 3.890 3.960 -0.002 0.000 0.219 134 G C 1.961 176.968 174.900 0.179 0.000 1.125 134 G CA 0.807 46.024 45.100 0.194 0.000 0.775 134 G HN 0.528 nan 8.290 nan 0.000 0.548 135 G N 0.923 109.842 108.800 0.198 0.000 2.417 135 G HA2 0.008 3.966 3.960 -0.002 0.000 0.212 135 G HA3 0.008 3.966 3.960 -0.002 0.000 0.212 135 G C 1.653 176.642 174.900 0.149 0.000 1.187 135 G CA 0.597 45.850 45.100 0.256 0.000 0.804 135 G HN 0.285 nan 8.290 nan 0.000 0.534 136 L N 1.843 123.032 121.223 -0.057 0.000 2.051 136 L HA -0.049 4.290 4.340 -0.002 0.000 0.214 136 L C 3.062 179.911 176.870 -0.035 0.000 1.076 136 L CA 1.974 56.644 54.840 -0.285 0.000 0.758 136 L CB -1.034 40.837 42.059 -0.313 0.000 0.890 136 L HN 0.265 nan 8.230 nan 0.000 0.433 137 G N -1.350 107.531 108.800 0.135 0.000 2.421 137 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.216 137 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.216 137 G C 1.576 176.567 174.900 0.152 0.000 1.171 137 G CA 1.401 46.621 45.100 0.201 0.000 0.775 137 G HN 0.478 nan 8.290 nan 0.000 0.543 138 T N 0.230 114.872 114.554 0.146 0.000 2.857 138 T HA 0.062 4.411 4.350 -0.002 0.000 0.266 138 T C 2.237 176.991 174.700 0.091 0.000 1.048 138 T CA 0.679 62.855 62.100 0.127 0.000 1.139 138 T CB -0.090 68.836 68.868 0.097 0.000 0.874 138 T HN 0.010 nan 8.240 nan 0.000 0.455 139 L N 1.573 122.833 121.223 0.062 0.000 2.049 139 L HA 0.252 4.590 4.340 -0.002 0.000 0.203 139 L C 3.080 179.948 176.870 -0.002 0.000 1.074 139 L CA 1.982 56.839 54.840 0.029 0.000 0.749 139 L CB -1.949 40.109 42.059 -0.003 0.000 0.907 139 L HN 0.449 nan 8.230 nan 0.000 0.439 140 G N -0.250 108.531 108.800 -0.032 0.000 2.485 140 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.221 140 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.221 140 G C 1.582 176.481 174.900 -0.002 0.000 1.115 140 G CA 0.870 45.956 45.100 -0.025 0.000 0.751 140 G HN 0.504 nan 8.290 nan 0.000 0.567 141 G N -0.099 108.714 108.800 0.022 0.000 2.432 141 G HA2 0.277 4.235 3.960 -0.002 0.000 0.219 141 G HA3 0.277 4.235 3.960 -0.002 0.000 0.219 141 G C 1.340 176.249 174.900 0.015 0.000 1.135 141 G CA 0.972 46.084 45.100 0.020 0.000 0.767 141 G HN 1.553 nan 8.290 nan 0.000 0.550 142 G N -1.066 107.751 108.800 0.027 0.000 2.148 142 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.203 142 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.203 142 G C 0.473 175.400 174.900 0.046 0.000 0.993 142 G CA 0.177 45.297 45.100 0.033 0.000 0.661 142 G HN 0.421 nan 8.290 nan 0.000 0.518 143 M N 0.119 119.754 119.600 0.058 0.000 2.184 143 M HA 0.280 4.758 4.480 -0.002 0.000 0.296 143 M C 1.179 177.523 176.300 0.073 0.000 1.165 143 M CA 0.208 55.554 55.300 0.077 0.000 1.175 143 M CB 0.599 33.265 32.600 0.110 0.000 1.392 143 M HN -0.092 nan 8.290 nan 0.000 0.457 144 V N 3.965 123.930 119.914 0.084 0.000 2.055 144 V HA 0.203 4.322 4.120 -0.002 0.000 0.248 144 V C -0.175 175.974 176.094 0.091 0.000 1.476 144 V CA 0.306 62.651 62.300 0.075 0.000 1.417 144 V CB -1.606 30.267 31.823 0.083 0.000 1.465 144 V HN 0.486 nan 8.190 nan 0.000 0.502 145 L N 1.524 122.791 121.223 0.073 0.000 2.445 145 L HA 0.713 5.051 4.340 -0.002 0.000 0.262 145 L C 0.967 177.861 176.870 0.040 0.000 0.974 145 L CA -0.588 54.301 54.840 0.082 0.000 0.822 145 L CB 1.946 44.082 42.059 0.127 0.000 1.339 145 L HN 0.466 nan 8.230 nan 0.000 0.409 146 G N 0.674 109.493 108.800 0.031 0.000 2.447 146 G HA2 0.248 4.207 3.960 -0.002 0.000 0.269 146 G HA3 0.248 4.207 3.960 -0.002 0.000 0.269 146 G C 0.459 175.370 174.900 0.018 0.000 1.455 146 G CA -0.023 45.087 45.100 0.018 0.000 1.061 146 G HN 0.762 nan 8.290 nan 0.000 0.545 147 R N -1.636 118.842 120.500 -0.038 0.000 2.568 147 R HA 0.130 4.469 4.340 -0.002 0.000 0.254 147 R C 2.243 178.399 176.300 -0.240 0.000 0.925 147 R CA 0.192 56.249 56.100 -0.072 0.000 1.025 147 R CB 0.442 30.742 30.300 -0.001 0.000 1.428 147 R HN 0.495 nan 8.270 nan 0.000 0.573 148 E N 0.806 120.823 120.200 -0.305 0.000 2.033 148 E HA -0.157 4.192 4.350 -0.002 0.000 0.199 148 E C 1.904 178.345 176.600 -0.265 0.000 1.011 148 E CA 1.713 57.874 56.400 -0.400 0.000 0.815 148 E CB -0.812 28.633 29.700 -0.425 0.000 0.755 148 E HN 0.341 nan 8.360 nan 0.000 0.451 149 G N 1.752 110.457 108.800 -0.158 0.000 2.672 149 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.218 149 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.218 149 G C -0.740 174.052 174.900 -0.180 0.000 1.238 149 G CA 1.451 46.480 45.100 -0.118 0.000 0.791 149 G HN 0.286 nan 8.290 nan 0.000 0.606 150 P HA -0.124 nan 4.420 nan 0.000 0.217 150 P C 2.252 179.291 177.300 -0.436 0.000 1.151 150 P CA 2.655 65.527 63.100 -0.381 0.000 0.849 150 P CB -0.279 31.061 31.700 -0.600 0.000 0.787 151 T N -5.022 109.282 114.554 -0.417 0.000 3.044 151 T HA 0.040 4.389 4.350 -0.002 0.000 0.255 151 T C 1.752 176.318 174.700 -0.223 0.000 1.073 151 T CA 0.376 62.279 62.100 -0.328 0.000 1.125 151 T CB -1.155 67.531 68.868 -0.302 0.000 0.908 151 T HN -0.141 nan 8.240 nan 0.000 0.480 152 V N 1.615 121.402 119.914 -0.213 0.000 2.358 152 V HA -0.143 3.976 4.120 -0.002 0.000 0.246 152 V C 2.882 178.905 176.094 -0.119 0.000 1.047 152 V CA 2.049 64.261 62.300 -0.146 0.000 1.035 152 V CB -0.707 31.044 31.823 -0.119 0.000 0.658 152 V HN 0.527 nan 8.190 nan 0.000 0.452 153 Q N -0.024 119.696 119.800 -0.133 0.000 1.994 153 Q HA -0.140 4.199 4.340 -0.002 0.000 0.198 153 Q C 2.249 178.184 176.000 -0.110 0.000 0.976 153 Q CA 1.933 57.668 55.803 -0.113 0.000 0.828 153 Q CB -0.213 28.456 28.738 -0.115 0.000 0.894 153 Q HN 0.575 nan 8.270 nan 0.000 0.432 154 I N 0.812 121.305 120.570 -0.129 0.000 2.300 154 I HA -0.291 3.878 4.170 -0.002 0.000 0.252 154 I C 2.185 178.241 176.117 -0.101 0.000 1.119 154 I CA 1.098 62.336 61.300 -0.104 0.000 1.384 154 I CB -0.693 37.240 38.000 -0.111 0.000 1.062 154 I HN 0.460 nan 8.210 nan 0.000 0.426 155 G N 0.656 109.389 108.800 -0.112 0.000 2.511 155 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.216 155 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.216 155 G C 1.694 176.540 174.900 -0.089 0.000 1.218 155 G CA 0.903 45.944 45.100 -0.098 0.000 0.788 155 G HN 0.479 nan 8.290 nan 0.000 0.560 156 G N 1.018 109.768 108.800 -0.082 0.000 2.459 156 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.217 156 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.217 156 G C 1.702 176.554 174.900 -0.079 0.000 1.183 156 G CA 1.209 46.264 45.100 -0.074 0.000 0.776 156 G HN 0.463 nan 8.290 nan 0.000 0.552 157 N N 0.354 119.010 118.700 -0.072 0.000 2.430 157 N HA -0.061 4.678 4.740 -0.002 0.000 0.186 157 N C 1.903 177.328 175.510 -0.141 0.000 1.032 157 N CA 0.560 53.579 53.050 -0.051 0.000 0.893 157 N CB -0.012 38.471 38.487 -0.007 0.000 0.957 157 N HN 0.264 nan 8.380 nan 0.000 0.442 158 I N -0.592 119.891 120.570 -0.145 0.000 2.480 158 I HA 0.005 4.173 4.170 -0.002 0.000 0.251 158 I C 2.311 178.310 176.117 -0.196 0.000 1.124 158 I CA 0.771 61.957 61.300 -0.190 0.000 1.444 158 I CB -1.439 36.480 38.000 -0.137 0.000 1.098 158 I HN 0.126 nan 8.210 nan 0.000 0.428 159 G N 1.053 109.770 108.800 -0.138 0.000 2.453 159 G HA2 -0.311 3.647 3.960 -0.002 0.000 0.215 159 G HA3 -0.311 3.647 3.960 -0.002 0.000 0.215 159 G C 1.827 176.653 174.900 -0.123 0.000 1.201 159 G CA 0.835 45.870 45.100 -0.108 0.000 0.784 159 G HN 0.180 nan 8.290 nan 0.000 0.545 160 R N 0.263 120.691 120.500 -0.120 0.000 2.096 160 R HA -0.003 4.335 4.340 -0.002 0.000 0.240 160 R C 2.522 178.673 176.300 -0.248 0.000 1.139 160 R CA 1.849 57.896 56.100 -0.089 0.000 0.952 160 R CB -0.817 29.495 30.300 0.019 0.000 0.854 160 R HN 0.413 nan 8.270 nan 0.000 0.436 161 M N 0.094 119.324 119.600 -0.616 0.000 2.267 161 M HA -0.134 4.344 4.480 -0.002 0.000 0.263 161 M C 1.589 177.581 176.300 -0.513 0.000 1.063 161 M CA 1.968 56.603 55.300 -1.108 0.000 1.090 161 M CB 0.079 31.833 32.600 -1.409 0.000 1.392 161 M HN 0.176 nan 8.290 nan 0.000 0.422 162 V N -2.299 117.469 119.914 -0.243 0.000 2.825 162 V HA -0.090 4.029 4.120 -0.002 0.000 0.246 162 V C 2.079 178.219 176.094 0.075 0.000 1.068 162 V CA 0.657 62.949 62.300 -0.013 0.000 1.088 162 V CB -1.025 30.832 31.823 0.058 0.000 0.733 162 V HN 0.474 nan 8.190 nan 0.000 0.468 163 L N 1.821 123.050 121.223 0.009 0.000 2.042 163 L HA -0.120 4.219 4.340 -0.002 0.000 0.210 163 L C 2.039 178.956 176.870 0.078 0.000 1.076 163 L CA 2.436 57.307 54.840 0.053 0.000 0.749 163 L CB -1.092 40.982 42.059 0.024 0.000 0.893 163 L HN 0.342 nan 8.230 nan 0.000 0.432 164 D N -0.332 120.105 120.400 0.061 0.000 2.084 164 D HA -0.124 4.515 4.640 -0.002 0.000 0.199 164 D C 2.316 178.649 176.300 0.056 0.000 0.981 164 D CA 1.698 55.765 54.000 0.112 0.000 0.841 164 D CB -0.319 40.633 40.800 0.253 0.000 0.997 164 D HN 0.374 nan 8.370 nan 0.000 0.454 165 I N 0.494 121.049 120.570 -0.026 0.000 2.280 165 I HA -0.370 3.799 4.170 -0.002 0.000 0.226 165 I C 2.252 178.234 176.117 -0.225 0.000 0.970 165 I CA 1.498 62.693 61.300 -0.174 0.000 1.279 165 I CB -0.460 37.323 38.000 -0.363 0.000 0.984 165 I HN -0.053 nan 8.210 nan 0.000 0.382 166 F N 0.427 120.384 119.950 0.010 0.000 2.546 166 F HA 0.014 4.540 4.527 -0.002 0.000 0.298 166 F C 0.935 176.753 175.800 0.029 0.000 1.120 166 F CA 0.516 58.530 58.000 0.024 0.000 1.456 166 F CB -0.443 38.576 39.000 0.033 0.000 1.088 166 F HN 0.056 nan 8.300 nan 0.000 0.572 167 R N 0.411 121.000 120.500 0.148 0.000 1.430 167 R HA -0.117 4.221 4.340 -0.002 0.000 0.404 167 R C -1.545 174.826 176.300 0.118 0.000 1.314 167 R CA 0.108 56.273 56.100 0.109 0.000 1.171 167 R CB -1.188 29.158 30.300 0.077 0.000 3.410 167 R HN 0.209 nan 8.270 nan 0.000 0.488 168 L N 2.912 124.193 121.223 0.097 0.000 2.472 168 L HA 0.530 4.869 4.340 -0.002 0.000 0.260 168 L C -0.206 176.705 176.870 0.069 0.000 0.963 168 L CA -1.022 53.868 54.840 0.083 0.000 0.829 168 L CB 2.538 44.648 42.059 0.084 0.000 1.348 168 L HN 0.482 nan 8.230 nan 0.000 0.408 169 K N 0.539 120.977 120.400 0.062 0.000 2.354 169 K HA 0.890 5.209 4.320 -0.002 0.000 0.238 169 K C -0.305 176.333 176.600 0.064 0.000 1.068 169 K CA -0.502 55.820 56.287 0.059 0.000 0.925 169 K CB 1.696 34.228 32.500 0.052 0.000 1.286 169 K HN 0.786 nan 8.250 nan 0.000 0.500 170 G N 0.987 109.828 108.800 0.068 0.000 2.777 170 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.686 170 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.686 170 G C -0.285 174.686 174.900 0.118 0.000 1.177 170 G CA -0.505 44.644 45.100 0.082 0.000 0.775 170 G HN 0.678 nan 8.290 nan 0.000 0.613 171 D N 0.153 120.648 120.400 0.159 0.000 2.263 171 D HA -0.073 4.565 4.640 -0.002 0.000 0.208 171 D C 1.861 178.445 176.300 0.474 0.000 0.971 171 D CA 1.404 55.595 54.000 0.319 0.000 0.867 171 D CB 0.220 41.180 40.800 0.267 0.000 0.929 171 D HN 0.716 nan 8.370 nan 0.000 0.492 172 E N 0.772 121.099 120.200 0.211 0.000 1.999 172 E HA -0.116 4.232 4.350 -0.002 0.000 0.194 172 E C 2.084 178.771 176.600 0.144 0.000 0.995 172 E CA 0.821 57.313 56.400 0.153 0.000 0.825 172 E CB -0.017 29.733 29.700 0.082 0.000 0.777 172 E HN 0.074 nan 8.360 nan 0.000 0.459 173 A N 1.421 124.299 122.820 0.097 0.000 2.009 173 A HA -0.275 4.044 4.320 -0.002 0.000 0.222 173 A C 2.172 179.788 177.584 0.052 0.000 1.175 173 A CA 1.987 54.065 52.037 0.068 0.000 0.651 173 A CB -0.683 18.354 19.000 0.061 0.000 0.815 173 A HN 0.262 nan 8.150 nan 0.000 0.459 174 R N -2.043 118.487 120.500 0.051 0.000 2.119 174 R HA -0.068 4.271 4.340 -0.002 0.000 0.222 174 R C 1.885 178.104 176.300 -0.134 0.000 1.088 174 R CA 1.388 57.457 56.100 -0.052 0.000 0.984 174 R CB -0.171 30.063 30.300 -0.109 0.000 0.884 174 R HN 0.733 nan 8.270 nan 0.000 0.447 175 H N -1.281 117.790 119.070 0.001 0.000 2.384 175 H HA 0.097 4.651 4.556 -0.002 0.000 0.300 175 H C 1.869 177.182 175.328 -0.025 0.000 1.057 175 H CA 1.622 57.660 56.048 -0.016 0.000 1.370 175 H CB -0.040 29.707 29.762 -0.024 0.000 1.417 175 H HN 0.044 nan 8.280 nan 0.000 0.527 176 T N 1.108 115.728 114.554 0.110 0.000 2.520 176 T HA -0.139 4.209 4.350 -0.002 0.000 0.258 176 T C 2.146 176.854 174.700 0.014 0.000 1.125 176 T CA 1.331 63.460 62.100 0.047 0.000 1.206 176 T CB -0.561 68.333 68.868 0.044 0.000 0.864 176 T HN 0.147 nan 8.240 nan 0.000 0.400 177 L N 0.482 121.709 121.223 0.006 0.000 2.211 177 L HA -0.164 4.175 4.340 -0.002 0.000 0.216 177 L C 2.478 179.329 176.870 -0.033 0.000 1.092 177 L CA 0.924 55.754 54.840 -0.017 0.000 0.767 177 L CB -0.579 41.470 42.059 -0.015 0.000 0.894 177 L HN 0.226 nan 8.230 nan 0.000 0.437 178 L N -0.453 120.751 121.223 -0.031 0.000 2.095 178 L HA -0.029 4.310 4.340 -0.002 0.000 0.204 178 L C 2.597 179.443 176.870 -0.041 0.000 1.080 178 L CA 1.605 56.417 54.840 -0.046 0.000 0.759 178 L CB -0.338 41.685 42.059 -0.060 0.000 0.914 178 L HN 0.106 nan 8.230 nan 0.000 0.439 179 A N -1.265 121.539 122.820 -0.026 0.000 1.968 179 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 179 A C 2.322 179.884 177.584 -0.037 0.000 1.169 179 A CA 1.755 53.773 52.037 -0.032 0.000 0.638 179 A CB -1.102 17.885 19.000 -0.023 0.000 0.812 179 A HN 0.568 nan 8.150 nan 0.000 0.446 180 T N -2.990 111.544 114.554 -0.033 0.000 2.857 180 T HA 0.049 4.398 4.350 -0.002 0.000 0.266 180 T C 1.877 176.549 174.700 -0.048 0.000 1.048 180 T CA 1.459 63.536 62.100 -0.038 0.000 1.139 180 T CB -0.766 68.084 68.868 -0.031 0.000 0.874 180 T HN 0.346 nan 8.240 nan 0.000 0.455 181 G N 0.778 109.547 108.800 -0.053 0.000 2.484 181 G HA2 0.211 4.170 3.960 -0.002 0.000 0.218 181 G HA3 0.211 4.170 3.960 -0.002 0.000 0.218 181 G C 1.765 176.627 174.900 -0.062 0.000 1.130 181 G CA 0.618 45.680 45.100 -0.063 0.000 0.784 181 G HN 0.724 nan 8.290 nan 0.000 0.543 182 A N 1.072 123.861 122.820 -0.051 0.000 1.897 182 A HA 0.417 4.735 4.320 -0.002 0.000 0.215 182 A C 2.761 180.330 177.584 -0.024 0.000 1.181 182 A CA 1.939 53.953 52.037 -0.039 0.000 0.620 182 A CB -0.668 18.314 19.000 -0.030 0.000 0.821 182 A HN 0.582 nan 8.150 nan 0.000 0.443 183 A N -0.008 122.798 122.820 -0.024 0.000 1.840 183 A HA 0.236 4.554 4.320 -0.002 0.000 0.214 183 A C 2.523 180.073 177.584 -0.056 0.000 1.198 183 A CA 1.971 53.994 52.037 -0.023 0.000 0.608 183 A CB -1.265 17.707 19.000 -0.046 0.000 0.839 183 A HN 1.151 nan 8.150 nan 0.000 0.443 184 A N -0.465 122.318 122.820 -0.060 0.000 1.997 184 A HA -0.040 4.279 4.320 -0.002 0.000 0.221 184 A C 2.321 179.863 177.584 -0.070 0.000 1.172 184 A CA 2.285 54.286 52.037 -0.059 0.000 0.645 184 A CB -1.385 17.584 19.000 -0.051 0.000 0.813 184 A HN 0.777 nan 8.150 nan 0.000 0.454 185 G N -0.541 108.208 108.800 -0.085 0.000 2.404 185 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.214 185 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.214 185 G C 1.376 176.176 174.900 -0.166 0.000 1.189 185 G CA 0.971 46.001 45.100 -0.117 0.000 0.789 185 G HN 0.580 nan 8.290 nan 0.000 0.533 186 L N 1.351 122.471 121.223 -0.172 0.000 2.450 186 L HA 0.263 4.602 4.340 -0.002 0.000 0.224 186 L C 2.717 179.471 176.870 -0.193 0.000 1.149 186 L CA 1.473 56.159 54.840 -0.255 0.000 0.816 186 L CB -0.377 41.539 42.059 -0.238 0.000 0.932 186 L HN 0.234 nan 8.230 nan 0.000 0.449 187 A N -0.560 122.183 122.820 -0.129 0.000 1.861 187 A HA 0.167 4.486 4.320 -0.002 0.000 0.212 187 A C 2.313 179.808 177.584 -0.148 0.000 1.199 187 A CA 0.906 52.883 52.037 -0.100 0.000 0.613 187 A CB -1.023 17.932 19.000 -0.076 0.000 0.846 187 A HN 0.434 nan 8.150 nan 0.000 0.446 188 A N -0.504 122.244 122.820 -0.120 0.000 2.216 188 A HA 0.342 4.661 4.320 -0.002 0.000 0.214 188 A C 2.030 179.530 177.584 -0.140 0.000 1.160 188 A CA 1.500 53.481 52.037 -0.093 0.000 0.725 188 A CB -0.590 18.452 19.000 0.071 0.000 0.784 188 A HN 0.930 nan 8.150 nan 0.000 0.472 189 A N -2.168 120.516 122.820 -0.228 0.000 2.147 189 A HA 0.455 4.773 4.320 -0.002 0.000 0.211 189 A C 1.268 178.684 177.584 -0.280 0.000 1.160 189 A CA 0.559 52.410 52.037 -0.310 0.000 0.781 189 A CB -0.105 18.552 19.000 -0.571 0.000 0.842 189 A HN 0.526 nan 8.150 nan 0.000 0.475 190 F N -1.835 118.026 119.950 -0.148 0.000 2.856 190 F HA 0.176 4.701 4.527 -0.002 0.000 0.338 190 F C 0.676 176.309 175.800 -0.279 0.000 1.100 190 F CA -0.145 57.774 58.000 -0.134 0.000 1.150 190 F CB 0.498 39.465 39.000 -0.056 0.000 1.101 190 F HN 0.262 nan 8.300 nan 0.000 0.548 191 N N 2.390 120.885 118.700 -0.342 0.000 2.705 191 N HA -0.244 4.494 4.740 -0.002 0.000 0.255 191 N C -0.767 174.655 175.510 -0.147 0.000 1.008 191 N CA 0.776 53.553 53.050 -0.456 0.000 0.742 191 N CB -0.690 37.457 38.487 -0.567 0.000 0.906 191 N HN 0.351 nan 8.380 nan 0.000 0.541 192 A N 0.598 123.373 122.820 -0.075 0.000 3.216 192 A HA 0.545 4.864 4.320 -0.002 0.000 0.321 192 A C -1.322 176.239 177.584 -0.038 0.000 1.042 192 A CA -0.845 51.173 52.037 -0.031 0.000 0.838 192 A CB 0.996 20.001 19.000 0.009 0.000 1.136 192 A HN 0.263 nan 8.150 nan 0.000 0.483 193 P HA -0.287 nan 4.420 nan 0.000 0.218 193 P C 1.658 178.892 177.300 -0.109 0.000 1.165 193 P CA 1.500 64.562 63.100 -0.063 0.000 0.922 193 P CB 0.075 31.762 31.700 -0.022 0.000 0.794 194 L N -1.288 119.888 121.223 -0.078 0.000 1.955 194 L HA -0.243 4.095 4.340 -0.002 0.000 0.213 194 L C 2.587 179.412 176.870 -0.076 0.000 1.072 194 L CA 1.942 56.727 54.840 -0.093 0.000 0.755 194 L CB -1.661 40.376 42.059 -0.037 0.000 0.888 194 L HN -0.044 nan 8.230 nan 0.000 0.432 195 A N 0.479 123.281 122.820 -0.030 0.000 1.971 195 A HA -0.238 4.081 4.320 -0.002 0.000 0.222 195 A C 2.333 179.928 177.584 0.018 0.000 1.182 195 A CA 2.178 54.220 52.037 0.009 0.000 0.649 195 A CB -1.485 17.530 19.000 0.026 0.000 0.818 195 A HN 0.544 nan 8.150 nan 0.000 0.458 196 G N 0.066 108.851 108.800 -0.026 0.000 2.524 196 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.215 196 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.215 196 G C 1.504 176.388 174.900 -0.027 0.000 1.239 196 G CA 1.147 46.232 45.100 -0.025 0.000 0.798 196 G HN 0.498 nan 8.290 nan 0.000 0.557 197 I N 0.563 121.043 120.570 -0.150 0.000 2.113 197 I HA -0.226 3.943 4.170 -0.002 0.000 0.242 197 I C 2.706 178.771 176.117 -0.087 0.000 1.057 197 I CA 0.842 62.018 61.300 -0.206 0.000 1.314 197 I CB -0.369 37.357 38.000 -0.457 0.000 1.022 197 I HN 0.077 nan 8.210 nan 0.000 0.408 198 L N -0.374 120.823 121.223 -0.044 0.000 2.127 198 L HA -0.248 4.091 4.340 -0.002 0.000 0.211 198 L C 2.551 179.475 176.870 0.090 0.000 1.089 198 L CA 1.993 56.843 54.840 0.017 0.000 0.757 198 L CB -1.149 40.930 42.059 0.034 0.000 0.899 198 L HN 0.271 nan 8.230 nan 0.000 0.434 199 F N 0.508 120.428 119.950 -0.051 0.000 2.113 199 F HA -0.221 4.305 4.527 -0.002 0.000 0.297 199 F C 2.400 178.177 175.800 -0.039 0.000 1.103 199 F CA 1.041 59.021 58.000 -0.033 0.000 1.248 199 F CB -0.170 38.796 39.000 -0.056 0.000 0.999 199 F HN -0.100 nan 8.300 nan 0.000 0.475 200 I N 1.730 122.247 120.570 -0.088 0.000 2.039 200 I HA -0.281 3.888 4.170 -0.002 0.000 0.233 200 I C 2.422 178.429 176.117 -0.184 0.000 1.040 200 I CA 1.794 62.983 61.300 -0.185 0.000 1.308 200 I CB -1.764 36.178 38.000 -0.097 0.000 1.035 200 I HN 0.255 nan 8.210 nan 0.000 0.392 201 I N -0.861 119.642 120.570 -0.112 0.000 3.421 201 I HA -0.090 4.079 4.170 -0.002 0.000 0.321 201 I C 1.319 177.378 176.117 -0.096 0.000 1.159 201 I CA 1.134 62.376 61.300 -0.097 0.000 1.207 201 I CB -0.506 37.458 38.000 -0.060 0.000 0.988 201 I HN 0.493 nan 8.210 nan 0.000 0.569 202 E N 0.300 120.422 120.200 -0.131 0.000 2.640 202 E HA -0.055 4.294 4.350 -0.002 0.000 0.197 202 E C 1.192 177.700 176.600 -0.153 0.000 0.925 202 E CA 0.288 56.624 56.400 -0.105 0.000 1.604 202 E CB 0.372 30.054 29.700 -0.031 0.000 1.769 202 E HN 0.512 nan 8.360 nan 0.000 0.965 203 E N -0.406 119.623 120.200 -0.286 0.000 3.441 203 E HA 0.147 4.496 4.350 -0.002 0.000 0.195 203 E C 1.744 178.126 176.600 -0.364 0.000 1.172 203 E CA 0.437 56.639 56.400 -0.330 0.000 1.457 203 E CB -0.061 29.378 29.700 -0.434 0.000 1.388 203 E HN 0.012 nan 8.360 nan 0.000 0.551 204 M N 1.040 120.292 119.600 -0.579 0.000 2.106 204 M HA -0.070 4.409 4.480 -0.002 0.000 0.259 204 M C 1.249 177.431 176.300 -0.197 0.000 1.068 204 M CA 1.087 56.167 55.300 -0.366 0.000 1.100 204 M CB -1.113 31.261 32.600 -0.377 0.000 1.351 204 M HN 0.037 nan 8.290 nan 0.000 0.404 205 R N 0.951 121.336 120.500 -0.192 0.000 2.679 205 R HA 0.064 4.402 4.340 -0.002 0.000 0.268 205 R C -2.192 174.041 176.300 -0.112 0.000 1.044 205 R CA -1.329 54.693 56.100 -0.130 0.000 1.105 205 R CB 0.113 30.329 30.300 -0.139 0.000 0.989 205 R HN -0.061 nan 8.270 nan 0.000 0.447 206 P HA -0.096 nan 4.420 nan 0.000 0.253 206 P C -0.305 176.930 177.300 -0.109 0.000 1.170 206 P CA 0.471 63.557 63.100 -0.024 0.000 0.806 206 P CB 0.500 32.204 31.700 0.006 0.000 0.775 207 Q N 1.861 121.526 119.800 -0.225 0.000 2.437 207 Q HA -0.049 4.289 4.340 -0.002 0.000 0.210 207 Q C 0.560 176.033 176.000 -0.877 0.000 0.972 207 Q CA 1.466 56.879 55.803 -0.650 0.000 0.903 207 Q CB -0.095 28.026 28.738 -1.027 0.000 0.967 207 Q HN 0.590 nan 8.270 nan 0.000 0.486 208 F N -0.581 119.372 119.950 0.005 0.000 2.781 208 F HA 0.267 4.793 4.527 -0.002 0.000 0.322 208 F C 0.684 176.499 175.800 0.025 0.000 1.108 208 F CA -0.638 57.371 58.000 0.016 0.000 1.179 208 F CB 0.538 39.550 39.000 0.018 0.000 1.072 208 F HN -0.097 nan 8.300 nan 0.000 0.545 209 R N -1.723 118.873 120.500 0.160 0.000 2.781 209 R HA 0.460 4.799 4.340 -0.002 0.000 0.269 209 R C -1.464 174.897 176.300 0.101 0.000 1.025 209 R CA -0.904 55.277 56.100 0.135 0.000 0.914 209 R CB 0.972 31.352 30.300 0.134 0.000 1.236 209 R HN -0.052 nan 8.270 nan 0.000 0.465 210 Y N 0.611 120.910 120.300 -0.001 0.000 2.357 210 Y HA 0.368 4.917 4.550 -0.002 0.000 0.340 210 Y C -0.801 175.062 175.900 -0.061 0.000 1.260 210 Y CA 1.039 59.122 58.100 -0.029 0.000 1.425 210 Y CB 1.382 39.827 38.460 -0.026 0.000 1.326 210 Y HN 0.686 nan 8.280 nan 0.000 0.580 211 T N 5.976 120.088 114.554 -0.737 0.000 3.295 211 T HA 0.239 4.588 4.350 -0.002 0.000 0.331 211 T C -0.984 173.317 174.700 -0.666 0.000 1.142 211 T CA -0.756 61.020 62.100 -0.541 0.000 1.078 211 T CB 0.538 69.198 68.868 -0.346 0.000 1.150 211 T HN 0.582 nan 8.240 nan 0.000 0.465 212 L N 4.104 125.071 121.223 -0.426 0.000 2.415 212 L HA 0.384 4.722 4.340 -0.002 0.000 0.269 212 L C -0.318 176.460 176.870 -0.155 0.000 1.244 212 L CA 0.088 54.792 54.840 -0.227 0.000 1.113 212 L CB -0.601 41.429 42.059 -0.048 0.000 1.352 212 L HN 0.498 nan 8.230 nan 0.000 0.433 213 I N 0.998 121.468 120.570 -0.166 0.000 2.362 213 I HA 0.115 4.284 4.170 -0.002 0.000 0.289 213 I C 0.620 176.712 176.117 -0.042 0.000 0.994 213 I CA -0.279 60.977 61.300 -0.073 0.000 1.158 213 I CB 1.888 39.840 38.000 -0.079 0.000 1.315 213 I HN 0.287 nan 8.210 nan 0.000 0.451 214 S N 6.690 122.388 115.700 -0.002 0.000 2.437 214 S HA 0.240 4.709 4.470 -0.002 0.000 0.304 214 S C 1.277 175.897 174.600 0.033 0.000 1.167 214 S CA -0.437 57.774 58.200 0.018 0.000 1.106 214 S CB -0.032 63.186 63.200 0.030 0.000 1.099 214 S HN 0.533 nan 8.310 nan 0.000 0.524 215 I N 4.444 125.040 120.570 0.042 0.000 2.454 215 I HA -0.146 4.023 4.170 -0.002 0.000 0.254 215 I C 2.481 178.705 176.117 0.179 0.000 1.156 215 I CA 0.991 62.343 61.300 0.087 0.000 1.433 215 I CB -0.257 37.800 38.000 0.095 0.000 1.082 215 I HN 0.645 nan 8.210 nan 0.000 0.432 216 K N 1.816 122.293 120.400 0.128 0.000 2.062 216 K HA -0.122 4.197 4.320 -0.002 0.000 0.205 216 K C 2.269 178.948 176.600 0.132 0.000 1.051 216 K CA 1.296 57.659 56.287 0.127 0.000 0.941 216 K CB -0.050 32.474 32.500 0.040 0.000 0.719 216 K HN 0.245 nan 8.250 nan 0.000 0.440 217 A N 0.948 123.818 122.820 0.083 0.000 1.933 217 A HA -0.097 4.222 4.320 -0.002 0.000 0.218 217 A C 2.211 179.834 177.584 0.064 0.000 1.175 217 A CA 1.520 53.593 52.037 0.060 0.000 0.628 217 A CB -0.622 18.400 19.000 0.037 0.000 0.814 217 A HN 0.172 nan 8.150 nan 0.000 0.444 218 V N -1.183 118.771 119.914 0.067 0.000 2.233 218 V HA -0.287 3.831 4.120 -0.002 0.000 0.247 218 V C 2.223 178.342 176.094 0.041 0.000 1.050 218 V CA 2.300 64.614 62.300 0.023 0.000 1.010 218 V CB -1.054 30.758 31.823 -0.019 0.000 0.637 218 V HN 0.572 nan 8.190 nan 0.000 0.444 219 F N 0.008 119.949 119.950 -0.014 0.000 2.032 219 F HA -0.305 4.221 4.527 -0.002 0.000 0.297 219 F C 2.276 178.066 175.800 -0.016 0.000 1.125 219 F CA 2.477 60.469 58.000 -0.012 0.000 1.202 219 F CB -0.524 38.470 39.000 -0.010 0.000 0.958 219 F HN 0.055 nan 8.300 nan 0.000 0.491 220 I N -0.420 120.273 120.570 0.206 0.000 2.236 220 I HA -0.347 3.822 4.170 -0.002 0.000 0.249 220 I C 2.650 178.790 176.117 0.038 0.000 1.102 220 I CA 1.499 62.854 61.300 0.093 0.000 1.365 220 I CB -1.355 36.673 38.000 0.046 0.000 1.051 220 I HN 0.296 nan 8.210 nan 0.000 0.420 221 G N 0.661 109.472 108.800 0.019 0.000 2.464 221 G HA2 -0.174 3.784 3.960 -0.002 0.000 0.214 221 G HA3 -0.174 3.784 3.960 -0.002 0.000 0.214 221 G C 1.685 176.576 174.900 -0.015 0.000 1.218 221 G CA 0.931 46.019 45.100 -0.019 0.000 0.794 221 G HN 0.220 nan 8.290 nan 0.000 0.542 222 V N 1.475 121.373 119.914 -0.026 0.000 2.250 222 V HA -0.284 3.834 4.120 -0.002 0.000 0.250 222 V C 2.837 178.931 176.094 0.000 0.000 1.060 222 V CA 2.071 64.346 62.300 -0.042 0.000 1.030 222 V CB -0.564 31.191 31.823 -0.114 0.000 0.643 222 V HN 0.421 nan 8.190 nan 0.000 0.445 223 I N -1.073 119.520 120.570 0.039 0.000 2.099 223 I HA -0.305 3.864 4.170 -0.002 0.000 0.239 223 I C 2.590 178.735 176.117 0.047 0.000 1.066 223 I CA 1.673 63.010 61.300 0.062 0.000 1.324 223 I CB -0.480 37.576 38.000 0.093 0.000 1.037 223 I HN 0.247 nan 8.210 nan 0.000 0.401 224 M N 0.044 119.661 119.600 0.029 0.000 2.260 224 M HA -0.213 4.266 4.480 -0.002 0.000 0.261 224 M C 2.509 178.829 176.300 0.033 0.000 1.066 224 M CA 1.564 56.875 55.300 0.018 0.000 1.082 224 M CB -1.479 31.109 32.600 -0.020 0.000 1.388 224 M HN 0.302 nan 8.290 nan 0.000 0.419 225 S N -0.382 115.335 115.700 0.028 0.000 2.345 225 S HA -0.093 4.376 4.470 -0.002 0.000 0.219 225 S C 1.869 176.526 174.600 0.095 0.000 1.031 225 S CA 1.799 60.024 58.200 0.042 0.000 0.984 225 S CB -0.154 63.051 63.200 0.008 0.000 0.874 225 S HN 0.486 nan 8.310 nan 0.000 0.451 226 T N 2.434 117.037 114.554 0.081 0.000 2.849 226 T HA 0.011 4.360 4.350 -0.002 0.000 0.270 226 T C 1.629 176.437 174.700 0.179 0.000 1.066 226 T CA 1.416 63.589 62.100 0.122 0.000 1.130 226 T CB -0.368 68.540 68.868 0.067 0.000 0.864 226 T HN 0.404 nan 8.240 nan 0.000 0.481 227 I N 0.516 121.166 120.570 0.132 0.000 2.286 227 I HA -0.130 4.039 4.170 -0.002 0.000 0.245 227 I C 2.436 178.651 176.117 0.162 0.000 1.104 227 I CA 0.835 62.210 61.300 0.125 0.000 1.397 227 I CB -0.309 37.739 38.000 0.080 0.000 1.072 227 I HN 0.186 nan 8.210 nan 0.000 0.417 228 M N -0.313 119.394 119.600 0.178 0.000 2.117 228 M HA -0.241 4.238 4.480 -0.002 0.000 0.262 228 M C 2.484 178.969 176.300 0.308 0.000 1.065 228 M CA 1.921 57.367 55.300 0.244 0.000 1.114 228 M CB -1.423 31.287 32.600 0.183 0.000 1.361 228 M HN 0.259 nan 8.290 nan 0.000 0.408 229 Y N 1.544 121.942 120.300 0.164 0.000 2.097 229 Y HA -0.239 4.309 4.550 -0.003 0.000 0.282 229 Y C 2.561 178.577 175.900 0.193 0.000 1.152 229 Y CA 1.930 60.125 58.100 0.158 0.000 1.136 229 Y CB -0.263 38.258 38.460 0.101 0.000 0.975 229 Y HN 0.122 nan 8.280 nan 0.000 0.498 230 R N 0.288 120.938 120.500 0.250 0.000 2.082 230 R HA -0.207 4.131 4.340 -0.002 0.000 0.234 230 R C 2.314 178.701 176.300 0.144 0.000 1.136 230 R CA 2.195 58.410 56.100 0.192 0.000 0.935 230 R CB -0.927 29.499 30.300 0.211 0.000 0.842 230 R HN 0.433 nan 8.270 nan 0.000 0.430 231 I N 0.120 120.759 120.570 0.115 0.000 2.290 231 I HA -0.321 3.848 4.170 -0.002 0.000 0.253 231 I C 1.648 177.599 176.117 -0.277 0.000 1.112 231 I CA 1.729 63.006 61.300 -0.039 0.000 1.377 231 I CB -0.229 37.678 38.000 -0.156 0.000 1.060 231 I HN 0.120 nan 8.210 nan 0.000 0.428 232 F N -0.257 119.633 119.950 -0.100 0.000 2.602 232 F HA 0.125 4.651 4.527 -0.002 0.000 0.284 232 F C 1.028 176.625 175.800 -0.337 0.000 1.111 232 F CA 0.115 57.999 58.000 -0.193 0.000 1.405 232 F CB 0.060 38.969 39.000 -0.153 0.000 1.121 232 F HN 0.012 nan 8.300 nan 0.000 0.603 233 N N 0.279 118.801 118.700 -0.296 0.000 2.598 233 N HA 0.101 4.840 4.740 -0.002 0.000 0.309 233 N C -0.618 174.741 175.510 -0.252 0.000 1.645 233 N CA -0.156 52.678 53.050 -0.361 0.000 0.936 233 N CB -0.452 37.724 38.487 -0.518 0.000 1.323 233 N HN 0.355 nan 8.380 nan 0.000 0.497 234 H N -0.818 118.208 119.070 -0.073 0.000 2.580 234 H HA 0.487 5.042 4.556 -0.002 0.000 0.324 234 H C 0.536 175.870 175.328 0.010 0.000 1.436 234 H CA -0.304 55.743 56.048 -0.002 0.000 1.464 234 H CB 0.622 30.381 29.762 -0.005 0.000 1.752 234 H HN -0.148 nan 8.280 nan 0.000 0.726 235 E N -1.901 118.489 120.200 0.317 0.000 3.370 235 E HA -0.137 4.212 4.350 -0.002 0.000 0.291 235 E C -0.986 175.674 176.600 0.100 0.000 0.916 235 E CA 1.040 57.564 56.400 0.207 0.000 0.981 235 E CB -1.862 27.998 29.700 0.267 0.000 1.498 235 E HN 0.394 nan 8.360 nan 0.000 0.452 236 V N -0.551 119.416 119.914 0.089 0.000 2.739 236 V HA 0.568 4.687 4.120 -0.002 0.000 0.293 236 V C 0.222 176.368 176.094 0.088 0.000 1.199 236 V CA -0.297 62.043 62.300 0.066 0.000 0.931 236 V CB 1.811 33.659 31.823 0.042 0.000 1.052 236 V HN 0.299 nan 8.190 nan 0.000 0.441 237 A N 4.090 126.949 122.820 0.065 0.000 2.267 237 A HA 0.762 5.081 4.320 -0.002 0.000 0.271 237 A C 0.873 178.475 177.584 0.031 0.000 1.131 237 A CA -0.142 51.926 52.037 0.052 0.000 0.818 237 A CB 0.507 19.514 19.000 0.011 0.000 1.118 237 A HN 0.869 nan 8.150 nan 0.000 0.501 238 L N -0.930 120.274 121.223 -0.031 0.000 2.357 238 L HA 0.300 4.638 4.340 -0.002 0.000 0.211 238 L C -0.191 176.540 176.870 -0.231 0.000 1.075 238 L CA 0.805 55.571 54.840 -0.124 0.000 0.830 238 L CB -0.039 41.878 42.059 -0.236 0.000 0.996 238 L HN 0.500 nan 8.230 nan 0.000 0.467 239 I N -0.705 119.742 120.570 -0.204 0.000 2.569 239 I HA 0.270 4.438 4.170 -0.002 0.000 0.290 239 I C -1.389 174.675 176.117 -0.088 0.000 1.088 239 I CA -0.531 60.666 61.300 -0.171 0.000 1.047 239 I CB 2.663 40.515 38.000 -0.247 0.000 1.237 239 I HN -0.187 nan 8.210 nan 0.000 0.421 240 D N 5.478 125.848 120.400 -0.050 0.000 2.469 240 D HA 0.374 5.013 4.640 -0.002 0.000 0.251 240 D C -0.084 176.203 176.300 -0.021 0.000 1.173 240 D CA -0.141 53.842 54.000 -0.028 0.000 0.882 240 D CB 2.338 43.131 40.800 -0.012 0.000 1.129 240 D HN 0.221 nan 8.370 nan 0.000 0.549 241 V N 2.369 122.269 119.914 -0.024 0.000 3.477 241 V HA 0.352 4.471 4.120 -0.002 0.000 0.297 241 V C 1.364 177.450 176.094 -0.015 0.000 1.433 241 V CA 0.311 62.601 62.300 -0.017 0.000 1.052 241 V CB -0.038 31.772 31.823 -0.020 0.000 0.895 241 V HN 0.800 nan 8.190 nan 0.000 0.438 242 G N 1.673 110.464 108.800 -0.014 0.000 2.601 242 G HA2 -0.299 3.659 3.960 -0.002 0.000 0.261 242 G HA3 -0.299 3.659 3.960 -0.002 0.000 0.261 242 G C -0.249 174.644 174.900 -0.013 0.000 1.289 242 G CA -0.007 45.087 45.100 -0.010 0.000 0.920 242 G HN 0.381 nan 8.290 nan 0.000 0.571 243 K N 0.627 121.021 120.400 -0.011 0.000 2.299 243 K HA 0.622 4.941 4.320 -0.002 0.000 0.268 243 K C 0.922 177.512 176.600 -0.016 0.000 1.075 243 K CA -0.277 56.001 56.287 -0.014 0.000 0.936 243 K CB 0.263 32.757 32.500 -0.010 0.000 1.228 243 K HN 0.495 nan 8.250 nan 0.000 0.454 244 L N 0.689 121.899 121.223 -0.023 0.000 2.464 244 L HA 0.255 4.593 4.340 -0.002 0.000 0.224 244 L C 1.252 178.105 176.870 -0.029 0.000 1.219 244 L CA -0.444 54.383 54.840 -0.022 0.000 0.831 244 L CB 0.140 42.181 42.059 -0.029 0.000 1.284 244 L HN 0.643 nan 8.230 nan 0.000 0.522 245 S N -1.239 114.445 115.700 -0.026 0.000 2.602 245 S HA 0.179 4.647 4.470 -0.002 0.000 0.257 245 S C -0.620 173.944 174.600 -0.060 0.000 1.250 245 S CA -0.674 57.508 58.200 -0.029 0.000 0.986 245 S CB 0.565 63.762 63.200 -0.006 0.000 1.040 245 S HN 0.532 nan 8.310 nan 0.000 0.562 246 D N -0.329 120.033 120.400 -0.064 0.000 2.392 246 D HA 0.677 5.316 4.640 -0.002 0.000 0.246 246 D C -1.022 175.215 176.300 -0.106 0.000 1.013 246 D CA -0.477 53.464 54.000 -0.098 0.000 0.993 246 D CB 1.300 42.048 40.800 -0.087 0.000 1.219 246 D HN 0.781 nan 8.370 nan 0.000 0.538 247 A N 1.163 123.892 122.820 -0.152 0.000 2.394 247 A HA 0.557 4.875 4.320 -0.002 0.000 0.333 247 A C -2.375 175.132 177.584 -0.128 0.000 1.397 247 A CA -1.323 50.620 52.037 -0.156 0.000 0.884 247 A CB -0.087 18.731 19.000 -0.303 0.000 1.147 247 A HN 0.297 nan 8.150 nan 0.000 0.505 248 P HA 0.012 nan 4.420 nan 0.000 0.265 248 P C 1.126 178.369 177.300 -0.095 0.000 1.187 248 P CA -0.059 62.987 63.100 -0.090 0.000 0.766 248 P CB 0.565 32.209 31.700 -0.094 0.000 0.820 249 L N 2.209 123.385 121.223 -0.078 0.000 2.051 249 L HA -0.247 4.091 4.340 -0.002 0.000 0.214 249 L C 1.948 178.800 176.870 -0.029 0.000 1.076 249 L CA 1.753 56.560 54.840 -0.055 0.000 0.758 249 L CB -0.643 41.391 42.059 -0.040 0.000 0.890 249 L HN 0.553 nan 8.230 nan 0.000 0.433 250 N N -0.933 117.727 118.700 -0.068 0.000 2.575 250 N HA -0.115 4.623 4.740 -0.002 0.000 0.192 250 N C 1.079 176.522 175.510 -0.111 0.000 1.200 250 N CA 1.289 54.303 53.050 -0.060 0.000 0.897 250 N CB -0.458 37.964 38.487 -0.109 0.000 0.990 250 N HN 0.402 nan 8.380 nan 0.000 0.449 251 T N -3.386 111.098 114.554 -0.117 0.000 3.132 251 T HA 0.300 4.649 4.350 -0.002 0.000 0.274 251 T C 1.422 176.196 174.700 0.124 0.000 1.011 251 T CA -0.441 61.589 62.100 -0.116 0.000 0.899 251 T CB -0.351 68.448 68.868 -0.115 0.000 1.089 251 T HN 0.043 nan 8.240 nan 0.000 0.543 252 L N 0.457 121.782 121.223 0.169 0.000 2.109 252 L HA 0.116 4.455 4.340 -0.002 0.000 0.207 252 L C 2.901 179.940 176.870 0.281 0.000 1.086 252 L CA 1.240 56.205 54.840 0.209 0.000 0.760 252 L CB -0.535 41.572 42.059 0.080 0.000 0.910 252 L HN 0.575 nan 8.230 nan 0.000 0.437 253 W N 0.435 121.810 121.300 0.125 0.000 2.350 253 W HA -0.186 4.472 4.660 -0.002 0.000 0.289 253 W C 1.636 178.236 176.519 0.135 0.000 1.215 253 W CA 0.567 57.977 57.345 0.108 0.000 1.236 253 W CB -1.191 28.312 29.460 0.071 0.000 1.130 253 W HN 0.144 nan 8.180 nan 0.000 0.541 254 L N -0.007 120.767 121.223 -0.748 0.000 2.265 254 L HA -0.221 4.118 4.340 -0.002 0.000 0.215 254 L C 2.213 178.901 176.870 -0.304 0.000 1.117 254 L CA 1.518 55.931 54.840 -0.711 0.000 0.782 254 L CB -0.804 40.859 42.059 -0.661 0.000 0.914 254 L HN -0.066 nan 8.230 nan 0.000 0.441 255 Y N -1.566 118.698 120.300 -0.060 0.000 2.517 255 Y HA -0.087 4.462 4.550 -0.002 0.000 0.281 255 Y C 1.989 177.836 175.900 -0.087 0.000 1.125 255 Y CA 0.117 58.183 58.100 -0.057 0.000 1.283 255 Y CB 0.045 38.469 38.460 -0.061 0.000 1.042 255 Y HN 0.053 nan 8.280 nan 0.000 0.547 256 L N -0.145 121.140 121.223 0.104 0.000 2.131 256 L HA -0.023 4.316 4.340 -0.002 0.000 0.206 256 L C 1.888 178.781 176.870 0.038 0.000 1.087 256 L CA 1.489 56.382 54.840 0.088 0.000 0.767 256 L CB -0.493 41.655 42.059 0.149 0.000 0.917 256 L HN 0.162 nan 8.230 nan 0.000 0.441 257 I N -0.953 119.625 120.570 0.014 0.000 2.252 257 I HA -0.260 3.909 4.170 -0.002 0.000 0.245 257 I C 2.332 178.337 176.117 -0.186 0.000 1.102 257 I CA 1.115 62.414 61.300 -0.001 0.000 1.385 257 I CB -0.306 37.750 38.000 0.094 0.000 1.064 257 I HN 0.316 nan 8.210 nan 0.000 0.414 258 L N 1.200 122.117 121.223 -0.509 0.000 2.083 258 L HA -0.080 4.259 4.340 -0.002 0.000 0.209 258 L C 2.284 179.062 176.870 -0.154 0.000 1.083 258 L CA 2.120 56.536 54.840 -0.707 0.000 0.752 258 L CB -1.064 40.435 42.059 -0.932 0.000 0.899 258 L HN 0.166 nan 8.230 nan 0.000 0.433 259 G N -0.402 108.351 108.800 -0.079 0.000 2.432 259 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.219 259 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.219 259 G C 1.605 176.539 174.900 0.057 0.000 1.135 259 G CA 1.077 46.184 45.100 0.012 0.000 0.767 259 G HN 0.483 nan 8.290 nan 0.000 0.550 260 I N 0.406 120.997 120.570 0.034 0.000 2.163 260 I HA -0.104 4.065 4.170 -0.002 0.000 0.240 260 I C 2.662 178.814 176.117 0.059 0.000 1.081 260 I CA 0.667 62.000 61.300 0.056 0.000 1.353 260 I CB -0.204 37.835 38.000 0.065 0.000 1.054 260 I HN 0.136 nan 8.210 nan 0.000 0.407 261 I N 0.341 120.922 120.570 0.018 0.000 2.087 261 I HA -0.364 3.805 4.170 -0.002 0.000 0.240 261 I C 2.428 178.535 176.117 -0.017 0.000 1.054 261 I CA 1.928 63.208 61.300 -0.034 0.000 1.311 261 I CB -0.530 37.382 38.000 -0.146 0.000 1.024 261 I HN 0.082 nan 8.210 nan 0.000 0.402 262 F N 0.980 120.909 119.950 -0.034 0.000 2.250 262 F HA -0.149 4.377 4.527 -0.002 0.000 0.301 262 F C 2.439 178.271 175.800 0.053 0.000 1.077 262 F CA 1.445 59.462 58.000 0.028 0.000 1.348 262 F CB -0.915 38.063 39.000 -0.038 0.000 1.040 262 F HN 0.058 nan 8.300 nan 0.000 0.509 263 G N 0.627 109.536 108.800 0.180 0.000 2.404 263 G HA2 -0.211 3.747 3.960 -0.002 0.000 0.215 263 G HA3 -0.211 3.747 3.960 -0.002 0.000 0.215 263 G C 1.679 176.625 174.900 0.076 0.000 1.174 263 G CA 1.019 46.178 45.100 0.098 0.000 0.780 263 G HN 0.522 nan 8.290 nan 0.000 0.537 264 I N -3.004 117.618 120.570 0.087 0.000 2.406 264 I HA 0.196 4.365 4.170 -0.002 0.000 0.249 264 I C 2.433 178.588 176.117 0.065 0.000 1.122 264 I CA 0.784 62.127 61.300 0.072 0.000 1.431 264 I CB -0.291 37.758 38.000 0.082 0.000 1.087 264 I HN 0.055 nan 8.210 nan 0.000 0.424 265 F N 2.898 122.811 119.950 -0.062 0.000 2.128 265 F HA 0.144 4.670 4.527 -0.002 0.000 0.295 265 F C 2.410 178.155 175.800 -0.093 0.000 1.100 265 F CA 1.521 59.458 58.000 -0.105 0.000 1.260 265 F CB -0.854 38.056 39.000 -0.149 0.000 1.009 265 F HN 0.100 nan 8.300 nan 0.000 0.476 266 G N 0.856 109.632 108.800 -0.041 0.000 2.606 266 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.221 266 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.221 266 G C -0.743 174.042 174.900 -0.191 0.000 1.152 266 G CA 1.251 46.294 45.100 -0.095 0.000 0.765 266 G HN 0.327 nan 8.290 nan 0.000 0.595 267 P HA 0.034 nan 4.420 nan 0.000 0.216 267 P C 2.027 179.139 177.300 -0.312 0.000 1.153 267 P CA 0.545 63.545 63.100 -0.166 0.000 0.844 267 P CB -0.058 31.584 31.700 -0.097 0.000 0.787 268 I N -1.783 118.507 120.570 -0.467 0.000 2.194 268 I HA -0.285 3.884 4.170 -0.002 0.000 0.246 268 I C 2.215 177.613 176.117 -1.198 0.000 1.093 268 I CA 1.617 62.460 61.300 -0.761 0.000 1.355 268 I CB -0.578 36.949 38.000 -0.788 0.000 1.046 268 I HN -0.101 nan 8.210 nan 0.000 0.413 269 F N 2.019 121.206 119.950 -1.272 0.000 2.186 269 F HA -0.188 4.338 4.527 -0.002 0.000 0.299 269 F C 2.274 177.822 175.800 -0.420 0.000 1.090 269 F CA 1.496 58.929 58.000 -0.946 0.000 1.307 269 F CB -0.390 38.143 39.000 -0.778 0.000 1.019 269 F HN 0.058 nan 8.300 nan 0.000 0.489 270 N N 0.761 119.307 118.700 -0.256 0.000 2.166 270 N HA -0.159 4.580 4.740 -0.002 0.000 0.186 270 N C 1.744 177.162 175.510 -0.154 0.000 1.019 270 N CA 1.290 54.254 53.050 -0.144 0.000 0.856 270 N CB -0.253 38.200 38.487 -0.057 0.000 0.993 270 N HN 0.373 nan 8.380 nan 0.000 0.426 271 K N -0.317 119.958 120.400 -0.209 0.000 1.984 271 K HA -0.108 4.210 4.320 -0.002 0.000 0.209 271 K C 1.967 178.589 176.600 0.037 0.000 1.046 271 K CA 1.111 57.349 56.287 -0.082 0.000 0.934 271 K CB -0.214 32.238 32.500 -0.079 0.000 0.717 271 K HN 0.191 nan 8.250 nan 0.000 0.438 272 W N 0.581 121.781 121.300 -0.167 0.000 2.325 272 W HA -0.166 4.493 4.660 -0.002 0.000 0.299 272 W C 2.138 178.519 176.519 -0.229 0.000 1.215 272 W CA 0.388 57.620 57.345 -0.189 0.000 1.244 272 W CB -1.349 27.980 29.460 -0.217 0.000 1.140 272 W HN -0.016 nan 8.180 nan 0.000 0.523 273 V N 0.465 120.304 119.914 -0.125 0.000 2.759 273 V HA -0.190 3.929 4.120 -0.002 0.000 0.256 273 V C 1.818 177.912 176.094 -0.001 0.000 1.080 273 V CA 1.563 63.796 62.300 -0.111 0.000 1.101 273 V CB -0.194 31.527 31.823 -0.170 0.000 0.698 273 V HN 0.108 nan 8.190 nan 0.000 0.477 274 L N -0.245 120.982 121.223 0.006 0.000 2.189 274 L HA 0.266 4.604 4.340 -0.002 0.000 0.199 274 L C 2.723 179.601 176.870 0.014 0.000 1.074 274 L CA 1.189 56.038 54.840 0.016 0.000 0.783 274 L CB -1.222 40.851 42.059 0.023 0.000 0.955 274 L HN 0.372 nan 8.230 nan 0.000 0.460 275 G N 0.153 108.975 108.800 0.035 0.000 2.476 275 G HA2 -0.374 3.584 3.960 -0.002 0.000 0.218 275 G HA3 -0.374 3.584 3.960 -0.002 0.000 0.218 275 G C 1.553 176.457 174.900 0.006 0.000 1.164 275 G CA 1.189 46.308 45.100 0.032 0.000 0.768 275 G HN 0.165 nan 8.290 nan 0.000 0.560 276 M N 0.186 119.788 119.600 0.005 0.000 2.279 276 M HA -0.007 4.472 4.480 -0.002 0.000 0.264 276 M C 2.482 178.766 176.300 -0.026 0.000 1.062 276 M CA 1.422 56.711 55.300 -0.019 0.000 1.099 276 M CB -0.243 32.350 32.600 -0.012 0.000 1.394 276 M HN 0.347 nan 8.290 nan 0.000 0.426 277 Q N -0.345 119.440 119.800 -0.024 0.000 2.119 277 Q HA -0.173 4.166 4.340 -0.002 0.000 0.201 277 Q C 1.337 177.323 176.000 -0.024 0.000 0.972 277 Q CA 1.532 57.312 55.803 -0.037 0.000 0.847 277 Q CB 0.038 28.744 28.738 -0.053 0.000 0.903 277 Q HN 0.550 nan 8.270 nan 0.000 0.433 278 D N 0.509 120.901 120.400 -0.013 0.000 2.083 278 D HA -0.178 4.461 4.640 -0.002 0.000 0.199 278 D C 1.885 178.180 176.300 -0.008 0.000 0.980 278 D CA 0.630 54.634 54.000 0.006 0.000 0.851 278 D CB -0.689 40.113 40.800 0.004 0.000 0.997 278 D HN 0.163 nan 8.370 nan 0.000 0.449 279 L N 0.741 121.942 121.223 -0.036 0.000 2.040 279 L HA -0.272 4.067 4.340 -0.002 0.000 0.228 279 L C 2.512 179.308 176.870 -0.123 0.000 1.092 279 L CA 1.460 56.257 54.840 -0.072 0.000 0.805 279 L CB -0.354 41.666 42.059 -0.065 0.000 0.905 279 L HN 0.080 nan 8.230 nan 0.000 0.443 280 L N -1.159 119.997 121.223 -0.111 0.000 2.187 280 L HA -0.283 4.056 4.340 -0.002 0.000 0.213 280 L C 2.506 179.161 176.870 -0.357 0.000 1.100 280 L CA 1.187 55.925 54.840 -0.169 0.000 0.765 280 L CB -0.745 41.263 42.059 -0.085 0.000 0.904 280 L HN 0.480 nan 8.230 nan 0.000 0.437 281 H N 0.496 119.333 119.070 -0.388 0.000 2.387 281 H HA -0.110 4.445 4.556 -0.002 0.000 0.299 281 H C 2.277 177.153 175.328 -0.752 0.000 1.090 281 H CA 1.500 57.216 56.048 -0.553 0.000 1.332 281 H CB 0.123 29.777 29.762 -0.181 0.000 1.386 281 H HN 0.142 nan 8.280 nan 0.000 0.516 282 R N -0.350 119.848 120.500 -0.502 0.000 2.147 282 R HA -0.166 4.172 4.340 -0.002 0.000 0.225 282 R C 2.326 178.307 176.300 -0.531 0.000 1.120 282 R CA 2.100 57.942 56.100 -0.430 0.000 0.891 282 R CB -0.958 29.197 30.300 -0.241 0.000 0.822 282 R HN 0.176 nan 8.270 nan 0.000 0.433 283 V N 1.254 120.898 119.914 -0.450 0.000 2.295 283 V HA -0.342 3.776 4.120 -0.002 0.000 0.262 283 V C 2.104 177.996 176.094 -0.335 0.000 1.098 283 V CA 2.572 64.660 62.300 -0.353 0.000 1.095 283 V CB -1.183 30.463 31.823 -0.296 0.000 0.704 283 V HN 0.660 nan 8.190 nan 0.000 0.454 284 H N -1.004 117.920 119.070 -0.244 0.000 2.740 284 H HA 0.486 5.041 4.556 -0.002 0.000 0.265 284 H C 1.674 176.909 175.328 -0.155 0.000 0.978 284 H CA 0.313 56.266 56.048 -0.158 0.000 1.198 284 H CB -0.289 29.389 29.762 -0.141 0.000 1.467 284 H HN 0.435 nan 8.280 nan 0.000 0.511 285 G N 0.295 108.862 108.800 -0.388 0.000 2.200 285 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.268 285 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.268 285 G C 1.371 176.207 174.900 -0.106 0.000 0.986 285 G CA 1.154 46.067 45.100 -0.312 0.000 0.677 285 G HN 1.583 nan 8.290 nan 0.000 0.532 286 G N -1.074 107.901 108.800 0.290 0.000 2.201 286 G HA2 -0.197 3.761 3.960 -0.002 0.000 0.212 286 G HA3 -0.197 3.761 3.960 -0.002 0.000 0.212 286 G C 0.153 175.306 174.900 0.423 0.000 0.994 286 G CA 0.639 46.064 45.100 0.542 0.000 0.644 286 G HN 1.745 nan 8.290 nan 0.000 0.508 287 N N 1.105 119.996 118.700 0.318 0.000 2.423 287 N HA 0.294 5.033 4.740 -0.002 0.000 0.275 287 N C 1.630 177.291 175.510 0.252 0.000 1.283 287 N CA 0.491 53.673 53.050 0.221 0.000 0.932 287 N CB 0.081 38.660 38.487 0.154 0.000 1.185 287 N HN 0.358 nan 8.380 nan 0.000 0.483 288 I N 2.540 123.207 120.570 0.161 0.000 2.290 288 I HA -0.409 3.760 4.170 -0.002 0.000 0.253 288 I C 1.305 177.516 176.117 0.157 0.000 1.112 288 I CA 1.540 62.904 61.300 0.107 0.000 1.377 288 I CB 0.045 38.073 38.000 0.046 0.000 1.060 288 I HN 0.611 nan 8.210 nan 0.000 0.428 289 T N 0.124 114.765 114.554 0.145 0.000 2.814 289 T HA -0.110 4.238 4.350 -0.002 0.000 0.254 289 T C 1.807 176.594 174.700 0.145 0.000 1.037 289 T CA 1.005 63.180 62.100 0.125 0.000 1.143 289 T CB -0.050 68.866 68.868 0.081 0.000 0.866 289 T HN 0.296 nan 8.240 nan 0.000 0.431 290 K N 0.119 120.614 120.400 0.158 0.000 2.160 290 K HA -0.142 4.177 4.320 -0.002 0.000 0.206 290 K C 2.064 178.797 176.600 0.221 0.000 1.047 290 K CA 1.103 57.484 56.287 0.155 0.000 0.930 290 K CB -0.084 32.503 32.500 0.144 0.000 0.720 290 K HN 0.378 nan 8.250 nan 0.000 0.450 291 W N 1.210 122.536 121.300 0.043 0.000 2.418 291 W HA -0.144 4.515 4.660 -0.002 0.000 0.319 291 W C 1.806 178.254 176.519 -0.118 0.000 1.183 291 W CA 0.844 58.135 57.345 -0.091 0.000 1.327 291 W CB -0.768 28.536 29.460 -0.261 0.000 1.163 291 W HN -0.243 nan 8.180 nan 0.000 0.479 292 V N 1.557 121.630 119.914 0.265 0.000 2.527 292 V HA -0.327 3.791 4.120 -0.002 0.000 0.255 292 V C 2.407 178.509 176.094 0.014 0.000 1.081 292 V CA 1.737 64.112 62.300 0.126 0.000 1.092 292 V CB -0.945 30.974 31.823 0.161 0.000 0.673 292 V HN 0.150 nan 8.190 nan 0.000 0.470 293 L N -1.477 119.772 121.223 0.043 0.000 2.034 293 L HA -0.138 4.201 4.340 -0.002 0.000 0.203 293 L C 2.440 179.290 176.870 -0.034 0.000 1.074 293 L CA 1.889 56.738 54.840 0.014 0.000 0.748 293 L CB -0.489 41.594 42.059 0.041 0.000 0.905 293 L HN 0.290 nan 8.230 nan 0.000 0.439 294 M N -0.092 119.492 119.600 -0.026 0.000 2.337 294 M HA -0.162 4.316 4.480 -0.002 0.000 0.261 294 M C 1.801 177.989 176.300 -0.187 0.000 1.067 294 M CA 1.808 57.072 55.300 -0.060 0.000 1.074 294 M CB -0.386 32.196 32.600 -0.030 0.000 1.395 294 M HN 0.323 nan 8.290 nan 0.000 0.431 295 G N -0.418 108.145 108.800 -0.394 0.000 2.556 295 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.215 295 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.215 295 G C 1.319 176.010 174.900 -0.348 0.000 1.258 295 G CA 0.678 45.230 45.100 -0.915 0.000 0.811 295 G HN 0.556 nan 8.290 nan 0.000 0.557 296 G N 1.056 109.740 108.800 -0.194 0.000 2.532 296 G HA2 -0.029 3.929 3.960 -0.002 0.000 0.222 296 G HA3 -0.029 3.929 3.960 -0.002 0.000 0.222 296 G C 1.923 176.724 174.900 -0.164 0.000 1.102 296 G CA 1.743 46.777 45.100 -0.111 0.000 0.742 296 G HN 0.729 nan 8.290 nan 0.000 0.577 297 A N 0.935 123.702 122.820 -0.088 0.000 1.841 297 A HA 0.056 4.375 4.320 -0.002 0.000 0.214 297 A C 2.391 179.942 177.584 -0.056 0.000 1.195 297 A CA 1.383 53.420 52.037 -0.001 0.000 0.611 297 A CB -0.333 18.695 19.000 0.046 0.000 0.835 297 A HN 0.370 nan 8.150 nan 0.000 0.443 298 I N -0.280 120.263 120.570 -0.044 0.000 2.315 298 I HA -0.137 4.031 4.170 -0.002 0.000 0.248 298 I C 2.594 178.697 176.117 -0.023 0.000 1.117 298 I CA 1.059 62.359 61.300 0.001 0.000 1.404 298 I CB -0.772 37.259 38.000 0.053 0.000 1.071 298 I HN 0.393 nan 8.210 nan 0.000 0.419 299 G N 0.679 109.451 108.800 -0.046 0.000 2.471 299 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.219 299 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.219 299 G C 1.629 176.409 174.900 -0.200 0.000 1.125 299 G CA 0.788 45.863 45.100 -0.042 0.000 0.775 299 G HN 0.502 nan 8.290 nan 0.000 0.548 300 G N 0.827 109.354 108.800 -0.455 0.000 2.408 300 G HA2 -0.017 3.942 3.960 -0.002 0.000 0.213 300 G HA3 -0.017 3.942 3.960 -0.002 0.000 0.213 300 G C 1.660 176.314 174.900 -0.410 0.000 1.177 300 G CA 0.724 45.258 45.100 -0.943 0.000 0.802 300 G HN 0.369 nan 8.290 nan 0.000 0.533 301 L N 0.958 122.096 121.223 -0.141 0.000 2.137 301 L HA -0.126 4.213 4.340 -0.002 0.000 0.213 301 L C 2.493 179.404 176.870 0.068 0.000 1.085 301 L CA 1.580 56.476 54.840 0.093 0.000 0.760 301 L CB -0.787 41.331 42.059 0.099 0.000 0.893 301 L HN 0.268 nan 8.230 nan 0.000 0.434 302 C N -0.569 118.740 119.300 0.015 0.000 2.522 302 C HA 0.130 4.588 4.460 -0.002 0.000 0.280 302 C C 2.720 177.734 174.990 0.040 0.000 1.303 302 C CA 0.332 59.373 59.018 0.038 0.000 1.709 302 C CB -1.750 26.011 27.740 0.036 0.000 2.071 302 C HN 0.707 nan 8.230 nan 0.000 0.492 303 G N 0.190 108.985 108.800 -0.009 0.000 2.537 303 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.220 303 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.220 303 G C 1.543 176.473 174.900 0.050 0.000 1.111 303 G CA 0.799 45.897 45.100 -0.002 0.000 0.748 303 G HN 0.582 nan 8.290 nan 0.000 0.564 304 L N -0.812 120.469 121.223 0.097 0.000 2.200 304 L HA 0.343 4.682 4.340 -0.002 0.000 0.200 304 L C 2.580 179.572 176.870 0.203 0.000 1.072 304 L CA 0.382 55.318 54.840 0.161 0.000 0.787 304 L CB -0.019 42.168 42.059 0.214 0.000 0.957 304 L HN 0.136 nan 8.230 nan 0.000 0.459 305 L N -0.043 121.277 121.223 0.162 0.000 2.201 305 L HA -0.050 4.288 4.340 -0.002 0.000 0.212 305 L C 2.280 179.246 176.870 0.159 0.000 1.105 305 L CA 0.934 55.867 54.840 0.155 0.000 0.775 305 L CB -0.852 41.276 42.059 0.116 0.000 0.913 305 L HN 0.393 nan 8.230 nan 0.000 0.440 306 G N -1.425 107.468 108.800 0.155 0.000 2.740 306 G HA2 -0.228 3.730 3.960 -0.002 0.000 0.208 306 G HA3 -0.228 3.730 3.960 -0.002 0.000 0.208 306 G C 0.992 176.043 174.900 0.253 0.000 1.148 306 G CA 0.305 45.498 45.100 0.156 0.000 0.795 306 G HN 0.286 nan 8.290 nan 0.000 0.526 307 F N -0.303 119.680 119.950 0.054 0.000 2.268 307 F HA 0.116 4.641 4.527 -0.002 0.000 0.262 307 F C 2.325 178.171 175.800 0.077 0.000 0.910 307 F CA 0.648 58.679 58.000 0.052 0.000 1.142 307 F CB -0.242 38.773 39.000 0.025 0.000 1.229 307 F HN -0.008 nan 8.300 nan 0.000 0.781 308 V N -0.331 119.682 119.914 0.165 0.000 2.594 308 V HA 0.251 4.370 4.120 -0.002 0.000 0.253 308 V C 0.804 176.938 176.094 0.067 0.000 1.069 308 V CA 1.347 63.692 62.300 0.075 0.000 1.082 308 V CB -1.419 30.500 31.823 0.160 0.000 0.680 308 V HN 0.503 nan 8.190 nan 0.000 0.469 309 A N -0.797 122.086 122.820 0.106 0.000 3.464 309 A HA 0.635 4.954 4.320 -0.002 0.000 0.243 309 A C -1.366 176.285 177.584 0.111 0.000 1.100 309 A CA -0.411 51.707 52.037 0.134 0.000 0.957 309 A CB 0.243 19.386 19.000 0.239 0.000 1.340 309 A HN 0.308 nan 8.150 nan 0.000 0.645 310 P HA -0.357 nan 4.420 nan 0.000 0.224 310 P C 1.815 179.163 177.300 0.079 0.000 1.154 310 P CA 2.681 65.837 63.100 0.094 0.000 0.868 310 P CB 0.301 32.058 31.700 0.096 0.000 0.782 311 A N -0.890 121.968 122.820 0.064 0.000 1.873 311 A HA -0.191 4.128 4.320 -0.002 0.000 0.215 311 A C 2.327 179.889 177.584 -0.037 0.000 1.186 311 A CA 2.586 54.627 52.037 0.006 0.000 0.616 311 A CB -1.931 17.021 19.000 -0.079 0.000 0.823 311 A HN 0.356 nan 8.150 nan 0.000 0.442 312 T N -2.257 112.262 114.554 -0.058 0.000 2.720 312 T HA -0.097 4.251 4.350 -0.002 0.000 0.268 312 T C 1.594 176.279 174.700 -0.025 0.000 1.037 312 T CA 1.686 63.725 62.100 -0.101 0.000 1.144 312 T CB -0.624 68.184 68.868 -0.101 0.000 0.864 312 T HN 0.388 nan 8.240 nan 0.000 0.444 313 S N -0.103 115.611 115.700 0.022 0.000 2.481 313 S HA 0.546 5.015 4.470 -0.002 0.000 0.267 313 S C 0.962 175.586 174.600 0.041 0.000 1.174 313 S CA 0.211 58.437 58.200 0.042 0.000 1.027 313 S CB -0.038 63.201 63.200 0.065 0.000 1.117 313 S HN 1.580 nan 8.310 nan 0.000 0.495 314 G N -0.614 108.215 108.800 0.048 0.000 2.916 314 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.533 314 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.533 314 G C 0.811 175.721 174.900 0.017 0.000 1.516 314 G CA -0.006 45.119 45.100 0.041 0.000 0.944 314 G HN 1.399 nan 8.290 nan 0.000 0.555 315 G N -0.945 107.851 108.800 -0.007 0.000 2.440 315 G HA2 0.356 4.315 3.960 -0.002 0.000 0.218 315 G HA3 0.356 4.315 3.960 -0.002 0.000 0.218 315 G C 1.892 176.705 174.900 -0.145 0.000 1.154 315 G CA 2.337 47.387 45.100 -0.083 0.000 0.767 315 G HN 2.686 nan 8.290 nan 0.000 0.552 316 G N -1.378 107.372 108.800 -0.083 0.000 2.545 316 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.195 316 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.195 316 G C 1.046 176.011 174.900 0.109 0.000 1.009 316 G CA 0.509 45.590 45.100 -0.032 0.000 0.703 316 G HN 0.170 nan 8.290 nan 0.000 0.479 317 F N 2.040 122.045 119.950 0.091 0.000 2.014 317 F HA 0.045 4.571 4.527 -0.002 0.000 0.295 317 F C 2.492 178.344 175.800 0.086 0.000 1.145 317 F CA 1.676 59.726 58.000 0.084 0.000 1.178 317 F CB -1.294 37.764 39.000 0.096 0.000 0.972 317 F HN 0.170 nan 8.300 nan 0.000 0.476 318 N N 0.455 119.338 118.700 0.305 0.000 2.200 318 N HA -0.248 4.490 4.740 -0.002 0.000 0.199 318 N C 1.553 177.180 175.510 0.194 0.000 0.987 318 N CA 2.058 55.231 53.050 0.205 0.000 0.908 318 N CB -0.714 37.873 38.487 0.166 0.000 1.035 318 N HN 0.407 nan 8.380 nan 0.000 0.481 319 L N -2.085 119.267 121.223 0.216 0.000 2.446 319 L HA 0.303 4.641 4.340 -0.002 0.000 0.219 319 L C 1.599 178.622 176.870 0.255 0.000 1.116 319 L CA 0.864 55.861 54.840 0.262 0.000 0.844 319 L CB -0.417 41.791 42.059 0.249 0.000 0.970 319 L HN 0.084 nan 8.230 nan 0.000 0.457 320 I N 0.726 121.422 120.570 0.211 0.000 2.163 320 I HA -0.181 3.988 4.170 -0.002 0.000 0.243 320 I C -0.080 176.108 176.117 0.118 0.000 1.085 320 I CA 1.562 62.962 61.300 0.166 0.000 1.347 320 I CB -1.614 36.475 38.000 0.149 0.000 1.044 320 I HN 0.286 nan 8.210 nan 0.000 0.408 321 P HA -0.165 nan 4.420 nan 0.000 0.215 321 P C 1.887 179.200 177.300 0.022 0.000 1.157 321 P CA 1.625 64.749 63.100 0.040 0.000 0.868 321 P CB -0.045 31.672 31.700 0.029 0.000 0.788 322 I N -0.968 119.615 120.570 0.021 0.000 2.286 322 I HA -0.240 3.929 4.170 -0.002 0.000 0.248 322 I C 2.240 178.261 176.117 -0.160 0.000 1.115 322 I CA 1.553 62.777 61.300 -0.126 0.000 1.392 322 I CB -0.885 37.002 38.000 -0.187 0.000 1.065 322 I HN -0.074 nan 8.210 nan 0.000 0.418 323 A N 0.688 123.607 122.820 0.165 0.000 1.929 323 A HA -0.122 4.196 4.320 -0.002 0.000 0.216 323 A C 2.378 180.049 177.584 0.145 0.000 1.176 323 A CA 1.988 54.215 52.037 0.316 0.000 0.628 323 A CB -0.856 18.373 19.000 0.380 0.000 0.816 323 A HN 0.380 nan 8.150 nan 0.000 0.444 324 T N 0.371 114.979 114.554 0.090 0.000 2.812 324 T HA 0.055 4.403 4.350 -0.002 0.000 0.264 324 T C 2.162 176.881 174.700 0.032 0.000 1.042 324 T CA 1.267 63.404 62.100 0.062 0.000 1.140 324 T CB -0.382 68.511 68.868 0.041 0.000 0.870 324 T HN 0.540 nan 8.240 nan 0.000 0.445 325 A N 0.749 123.567 122.820 -0.003 0.000 2.070 325 A HA 0.370 4.689 4.320 -0.002 0.000 0.220 325 A C 2.080 179.649 177.584 -0.026 0.000 1.159 325 A CA 1.348 53.371 52.037 -0.024 0.000 0.656 325 A CB -1.000 17.967 19.000 -0.055 0.000 0.800 325 A HN 0.920 nan 8.150 nan 0.000 0.453 326 G N -0.920 107.864 108.800 -0.026 0.000 2.130 326 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.216 326 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.216 326 G C 0.285 175.144 174.900 -0.068 0.000 0.999 326 G CA 0.377 45.473 45.100 -0.007 0.000 0.686 326 G HN 0.647 nan 8.290 nan 0.000 0.515 327 N N -0.689 117.881 118.700 -0.217 0.000 2.571 327 N HA 0.208 4.946 4.740 -0.002 0.000 0.189 327 N C -0.229 175.066 175.510 -0.358 0.000 1.154 327 N CA 0.254 53.114 53.050 -0.318 0.000 0.907 327 N CB 0.036 38.262 38.487 -0.434 0.000 0.977 327 N HN 0.374 nan 8.380 nan 0.000 0.449 328 F N 0.535 120.507 119.950 0.037 0.000 2.480 328 F HA 0.283 4.809 4.527 -0.002 0.000 0.329 328 F C 0.836 176.656 175.800 0.033 0.000 1.091 328 F CA -1.741 56.285 58.000 0.044 0.000 0.972 328 F CB 1.153 40.188 39.000 0.059 0.000 1.150 328 F HN -0.176 nan 8.300 nan 0.000 0.467 329 S N 2.242 118.081 115.700 0.231 0.000 2.600 329 S HA 0.168 4.636 4.470 -0.002 0.000 0.265 329 S C 1.191 175.862 174.600 0.117 0.000 1.325 329 S CA -0.673 57.602 58.200 0.125 0.000 1.002 329 S CB 0.760 64.011 63.200 0.085 0.000 0.921 329 S HN 0.817 nan 8.310 nan 0.000 0.554 330 M N 2.657 122.296 119.600 0.065 0.000 2.149 330 M HA 0.047 4.526 4.480 -0.002 0.000 0.261 330 M C 1.772 178.101 176.300 0.049 0.000 1.064 330 M CA 2.279 57.605 55.300 0.042 0.000 1.102 330 M CB -1.370 31.233 32.600 0.004 0.000 1.369 330 M HN 0.900 nan 8.290 nan 0.000 0.408 331 G N 0.156 108.986 108.800 0.050 0.000 2.524 331 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.215 331 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.215 331 G C 1.423 176.379 174.900 0.093 0.000 1.239 331 G CA 1.181 46.313 45.100 0.054 0.000 0.798 331 G HN 0.526 nan 8.290 nan 0.000 0.557 332 M N 0.518 120.178 119.600 0.099 0.000 2.195 332 M HA -0.087 4.392 4.480 -0.002 0.000 0.254 332 M C 2.239 178.603 176.300 0.107 0.000 1.083 332 M CA 1.245 56.624 55.300 0.132 0.000 1.069 332 M CB -0.428 32.258 32.600 0.145 0.000 1.364 332 M HN 0.255 nan 8.290 nan 0.000 0.403 333 L N -1.999 119.268 121.223 0.074 0.000 1.993 333 L HA -0.186 4.153 4.340 -0.002 0.000 0.206 333 L C 2.254 179.164 176.870 0.067 0.000 1.074 333 L CA 1.206 56.060 54.840 0.024 0.000 0.746 333 L CB -1.049 41.032 42.059 0.037 0.000 0.896 333 L HN 0.113 nan 8.230 nan 0.000 0.435 334 V N 0.220 120.190 119.914 0.093 0.000 2.278 334 V HA -0.386 3.732 4.120 -0.002 0.000 0.251 334 V C 2.199 178.411 176.094 0.196 0.000 1.062 334 V CA 2.408 64.794 62.300 0.144 0.000 1.038 334 V CB -0.822 31.070 31.823 0.116 0.000 0.646 334 V HN 0.395 nan 8.190 nan 0.000 0.447 335 F N 0.895 120.867 119.950 0.037 0.000 2.000 335 F HA -0.257 4.269 4.527 -0.002 0.000 0.296 335 F C 2.310 178.122 175.800 0.019 0.000 1.159 335 F CA 2.381 60.392 58.000 0.018 0.000 1.183 335 F CB -0.356 38.639 39.000 -0.008 0.000 0.959 335 F HN 0.041 nan 8.300 nan 0.000 0.490 336 I N -0.186 120.175 120.570 -0.347 0.000 2.229 336 I HA -0.355 3.814 4.170 -0.002 0.000 0.250 336 I C 2.309 178.307 176.117 -0.199 0.000 1.096 336 I CA 1.568 62.600 61.300 -0.446 0.000 1.358 336 I CB -0.855 36.968 38.000 -0.296 0.000 1.047 336 I HN 0.327 nan 8.210 nan 0.000 0.422 337 F N 1.779 121.607 119.950 -0.204 0.000 2.000 337 F HA -0.196 4.330 4.527 -0.002 0.000 0.295 337 F C 2.451 178.186 175.800 -0.109 0.000 1.159 337 F CA 1.810 59.728 58.000 -0.135 0.000 1.171 337 F CB -0.939 37.992 39.000 -0.114 0.000 0.971 337 F HN -0.237 nan 8.300 nan 0.000 0.479 338 V N 1.158 120.951 119.914 -0.201 0.000 2.278 338 V HA -0.398 3.720 4.120 -0.002 0.000 0.251 338 V C 2.784 178.740 176.094 -0.230 0.000 1.062 338 V CA 2.270 64.416 62.300 -0.257 0.000 1.038 338 V CB -1.911 29.872 31.823 -0.066 0.000 0.646 338 V HN 0.582 nan 8.190 nan 0.000 0.447 339 A N -0.379 122.258 122.820 -0.304 0.000 1.892 339 A HA -0.264 4.055 4.320 -0.002 0.000 0.218 339 A C 2.389 179.855 177.584 -0.196 0.000 1.188 339 A CA 2.128 53.977 52.037 -0.314 0.000 0.631 339 A CB -0.531 18.067 19.000 -0.669 0.000 0.822 339 A HN 0.532 nan 8.150 nan 0.000 0.447 340 R N -0.767 119.616 120.500 -0.196 0.000 2.070 340 R HA -0.094 4.245 4.340 -0.002 0.000 0.233 340 R C 2.109 178.393 176.300 -0.028 0.000 1.137 340 R CA 1.518 57.565 56.100 -0.089 0.000 0.945 340 R CB -0.873 29.393 30.300 -0.058 0.000 0.845 340 R HN 0.394 nan 8.270 nan 0.000 0.430 341 V N 1.876 121.731 119.914 -0.099 0.000 2.277 341 V HA -0.318 3.801 4.120 -0.002 0.000 0.253 341 V C 2.342 178.527 176.094 0.151 0.000 1.067 341 V CA 1.995 64.339 62.300 0.074 0.000 1.047 341 V CB -0.524 31.290 31.823 -0.015 0.000 0.649 341 V HN 0.281 nan 8.190 nan 0.000 0.447 342 I N 0.670 121.255 120.570 0.026 0.000 2.072 342 I HA -0.252 3.917 4.170 -0.002 0.000 0.235 342 I C 2.819 178.967 176.117 0.052 0.000 1.058 342 I CA 2.193 63.503 61.300 0.016 0.000 1.320 342 I CB -1.024 36.958 38.000 -0.030 0.000 1.047 342 I HN 0.491 nan 8.210 nan 0.000 0.397 343 T N -1.888 112.688 114.554 0.037 0.000 2.778 343 T HA -0.198 4.150 4.350 -0.002 0.000 0.269 343 T C 1.686 176.451 174.700 0.109 0.000 1.050 343 T CA 2.043 64.180 62.100 0.061 0.000 1.137 343 T CB -1.033 67.857 68.868 0.037 0.000 0.860 343 T HN 0.316 nan 8.240 nan 0.000 0.468 344 T N 2.038 116.677 114.554 0.142 0.000 2.812 344 T HA 0.214 4.562 4.350 -0.002 0.000 0.264 344 T C 1.952 176.805 174.700 0.255 0.000 1.042 344 T CA 0.792 63.018 62.100 0.209 0.000 1.140 344 T CB -0.399 68.631 68.868 0.270 0.000 0.870 344 T HN 0.273 nan 8.240 nan 0.000 0.445 345 L N 0.166 121.522 121.223 0.221 0.000 1.994 345 L HA -0.100 4.239 4.340 -0.002 0.000 0.208 345 L C 2.424 179.383 176.870 0.148 0.000 1.071 345 L CA 0.936 55.871 54.840 0.159 0.000 0.745 345 L CB -0.633 41.475 42.059 0.083 0.000 0.892 345 L HN 0.190 nan 8.230 nan 0.000 0.431 346 L N -0.329 120.962 121.223 0.115 0.000 1.941 346 L HA -0.326 4.012 4.340 -0.002 0.000 0.224 346 L C 2.736 179.700 176.870 0.158 0.000 1.081 346 L CA 2.061 56.963 54.840 0.104 0.000 0.784 346 L CB -0.922 41.188 42.059 0.084 0.000 0.894 346 L HN 0.350 nan 8.230 nan 0.000 0.436 347 C N -1.428 117.984 119.300 0.186 0.000 2.396 347 C HA -0.248 4.211 4.460 -0.002 0.000 0.277 347 C C 2.642 177.801 174.990 0.281 0.000 1.231 347 C CA 0.937 60.095 59.018 0.233 0.000 1.775 347 C CB -1.232 26.633 27.740 0.209 0.000 2.036 347 C HN 0.595 nan 8.230 nan 0.000 0.484 348 F N 1.415 121.439 119.950 0.123 0.000 2.262 348 F HA 0.028 4.554 4.527 -0.002 0.000 0.292 348 F C 2.462 178.327 175.800 0.109 0.000 1.081 348 F CA 1.592 59.660 58.000 0.114 0.000 1.355 348 F CB -0.600 38.474 39.000 0.123 0.000 1.069 348 F HN 0.025 nan 8.300 nan 0.000 0.506 349 S N -0.377 115.331 115.700 0.013 0.000 2.447 349 S HA -0.122 4.347 4.470 -0.002 0.000 0.233 349 S C 1.600 176.184 174.600 -0.028 0.000 1.006 349 S CA 1.020 59.167 58.200 -0.088 0.000 0.957 349 S CB -0.699 62.498 63.200 -0.004 0.000 0.773 349 S HN 0.454 nan 8.310 nan 0.000 0.507 350 S N 1.310 117.057 115.700 0.079 0.000 2.930 350 S HA 0.330 4.799 4.470 -0.002 0.000 0.257 350 S C 1.165 175.979 174.600 0.356 0.000 1.208 350 S CA 0.112 58.427 58.200 0.192 0.000 1.233 350 S CB -0.885 62.467 63.200 0.255 0.000 0.900 350 S HN 0.531 nan 8.310 nan 0.000 0.472 351 G N 0.710 109.615 108.800 0.173 0.000 2.473 351 G HA2 -0.155 3.803 3.960 -0.002 0.000 0.307 351 G HA3 -0.155 3.803 3.960 -0.002 0.000 0.307 351 G C 0.389 175.293 174.900 0.007 0.000 0.937 351 G CA 0.260 45.453 45.100 0.154 0.000 0.947 351 G HN 1.329 nan 8.290 nan 0.000 0.513 352 A N 0.390 123.145 122.820 -0.109 0.000 2.302 352 A HA 0.791 5.110 4.320 -0.002 0.000 0.285 352 A C -1.196 176.275 177.584 -0.189 0.000 1.105 352 A CA -1.319 50.437 52.037 -0.468 0.000 0.816 352 A CB 0.998 19.785 19.000 -0.356 0.000 1.067 352 A HN 0.261 nan 8.150 nan 0.000 0.489 353 P HA 0.436 nan 4.420 nan 0.000 0.271 353 P C 0.144 177.463 177.300 0.032 0.000 1.218 353 P CA 0.739 63.801 63.100 -0.064 0.000 0.780 353 P CB 0.988 32.644 31.700 -0.073 0.000 0.901 354 G N 0.697 109.540 108.800 0.070 0.000 2.435 354 G HA2 0.337 4.296 3.960 -0.002 0.000 0.603 354 G HA3 0.337 4.296 3.960 -0.002 0.000 0.603 354 G C -0.248 174.738 174.900 0.144 0.000 1.496 354 G CA -0.466 44.691 45.100 0.095 0.000 0.896 354 G HN 0.623 nan 8.290 nan 0.000 0.657 355 G N -0.655 108.180 108.800 0.058 0.000 2.667 355 G HA2 0.531 4.490 3.960 -0.002 0.000 0.250 355 G HA3 0.531 4.490 3.960 -0.002 0.000 0.250 355 G C 0.988 175.856 174.900 -0.053 0.000 1.212 355 G CA 0.078 45.200 45.100 0.037 0.000 0.874 355 G HN 1.392 nan 8.290 nan 0.000 0.561 356 I N 0.013 120.472 120.570 -0.185 0.000 4.154 356 I HA 0.239 4.408 4.170 -0.002 0.000 0.334 356 I C 1.442 177.548 176.117 -0.017 0.000 1.371 356 I CA -0.420 60.684 61.300 -0.327 0.000 1.110 356 I CB 0.004 37.441 38.000 -0.938 0.000 1.085 356 I HN 0.538 nan 8.210 nan 0.000 0.398 357 F N 2.121 122.055 119.950 -0.026 0.000 2.010 357 F HA -0.246 4.279 4.527 -0.002 0.000 0.296 357 F C 2.550 178.381 175.800 0.052 0.000 1.146 357 F CA 2.532 60.552 58.000 0.033 0.000 1.181 357 F CB -0.551 38.513 39.000 0.107 0.000 0.965 357 F HN 0.128 nan 8.300 nan 0.000 0.480 358 A N 0.226 123.243 122.820 0.329 0.000 1.892 358 A HA -0.190 4.128 4.320 -0.002 0.000 0.218 358 A C -0.209 177.355 177.584 -0.034 0.000 1.188 358 A CA 2.251 54.386 52.037 0.163 0.000 0.631 358 A CB -2.239 16.814 19.000 0.087 0.000 0.822 358 A HN 0.360 nan 8.150 nan 0.000 0.447 359 P HA -0.106 nan 4.420 nan 0.000 0.221 359 P C 1.482 178.763 177.300 -0.032 0.000 1.145 359 P CA 1.121 64.203 63.100 -0.029 0.000 0.795 359 P CB -0.094 31.612 31.700 0.010 0.000 0.775 360 M N -2.120 117.432 119.600 -0.080 0.000 2.447 360 M HA -0.022 4.457 4.480 -0.002 0.000 0.264 360 M C 1.788 178.014 176.300 -0.123 0.000 1.095 360 M CA 1.127 56.348 55.300 -0.132 0.000 1.125 360 M CB -0.446 32.031 32.600 -0.206 0.000 1.389 360 M HN -0.021 nan 8.290 nan 0.000 0.459 361 L N -0.323 120.824 121.223 -0.128 0.000 2.056 361 L HA -0.133 4.206 4.340 -0.002 0.000 0.207 361 L C 2.746 179.614 176.870 -0.004 0.000 1.078 361 L CA 1.161 55.943 54.840 -0.096 0.000 0.749 361 L CB -0.664 41.370 42.059 -0.042 0.000 0.901 361 L HN 0.269 nan 8.230 nan 0.000 0.433 362 A N -0.244 122.593 122.820 0.028 0.000 1.969 362 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 362 A C 2.213 179.843 177.584 0.077 0.000 1.169 362 A CA 1.188 53.266 52.037 0.067 0.000 0.635 362 A CB -0.535 18.499 19.000 0.055 0.000 0.810 362 A HN 0.352 nan 8.150 nan 0.000 0.445 363 L N -0.885 120.382 121.223 0.073 0.000 2.109 363 L HA -0.064 4.274 4.340 -0.002 0.000 0.207 363 L C 2.762 179.736 176.870 0.173 0.000 1.086 363 L CA 0.970 55.904 54.840 0.155 0.000 0.760 363 L CB -0.512 41.620 42.059 0.122 0.000 0.910 363 L HN 0.482 nan 8.230 nan 0.000 0.437 364 G N -1.176 107.719 108.800 0.160 0.000 2.403 364 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.216 364 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.216 364 G C 1.567 176.555 174.900 0.146 0.000 1.154 364 G CA 1.054 46.304 45.100 0.250 0.000 0.784 364 G HN 0.237 nan 8.290 nan 0.000 0.538 365 T N 0.984 115.578 114.554 0.067 0.000 2.720 365 T HA -0.132 4.216 4.350 -0.002 0.000 0.268 365 T C 2.550 177.299 174.700 0.081 0.000 1.037 365 T CA 1.440 63.580 62.100 0.067 0.000 1.144 365 T CB -0.203 68.710 68.868 0.076 0.000 0.864 365 T HN 0.086 nan 8.240 nan 0.000 0.444 366 V N 1.240 121.192 119.914 0.063 0.000 2.379 366 V HA -0.015 4.103 4.120 -0.002 0.000 0.245 366 V C 2.303 178.334 176.094 -0.106 0.000 1.044 366 V CA 1.015 63.325 62.300 0.016 0.000 1.036 366 V CB -0.607 31.233 31.823 0.027 0.000 0.664 366 V HN 0.334 nan 8.190 nan 0.000 0.453 367 L N 1.463 122.553 121.223 -0.222 0.000 2.275 367 L HA 0.106 4.444 4.340 -0.002 0.000 0.215 367 L C 2.084 178.907 176.870 -0.077 0.000 1.119 367 L CA 2.075 56.657 54.840 -0.429 0.000 0.790 367 L CB -1.065 40.531 42.059 -0.772 0.000 0.919 367 L HN 0.223 nan 8.230 nan 0.000 0.443 368 G N -1.672 107.190 108.800 0.103 0.000 2.404 368 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.213 368 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.213 368 G C 1.382 176.384 174.900 0.171 0.000 1.189 368 G CA 0.857 46.067 45.100 0.182 0.000 0.796 368 G HN 0.369 nan 8.290 nan 0.000 0.532 369 T N 1.989 116.617 114.554 0.124 0.000 2.665 369 T HA -0.135 4.214 4.350 -0.002 0.000 0.268 369 T C 2.776 177.517 174.700 0.068 0.000 1.035 369 T CA 1.851 64.024 62.100 0.120 0.000 1.151 369 T CB -0.487 68.455 68.868 0.124 0.000 0.862 369 T HN 0.380 nan 8.240 nan 0.000 0.438 370 A N 1.195 124.023 122.820 0.013 0.000 1.851 370 A HA -0.105 4.214 4.320 -0.002 0.000 0.216 370 A C 2.039 179.582 177.584 -0.069 0.000 1.195 370 A CA 1.837 53.848 52.037 -0.044 0.000 0.622 370 A CB -1.229 17.701 19.000 -0.117 0.000 0.831 370 A HN 0.489 nan 8.150 nan 0.000 0.444 371 F N 1.173 121.010 119.950 -0.188 0.000 2.154 371 F HA -0.123 4.403 4.527 -0.002 0.000 0.301 371 F C 2.312 177.877 175.800 -0.391 0.000 1.087 371 F CA 1.585 59.421 58.000 -0.272 0.000 1.274 371 F CB -0.606 38.233 39.000 -0.269 0.000 1.009 371 F HN 0.223 nan 8.300 nan 0.000 0.485 372 G N 0.430 109.167 108.800 -0.106 0.000 2.459 372 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.217 372 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.217 372 G C 1.651 176.445 174.900 -0.175 0.000 1.183 372 G CA 1.159 46.173 45.100 -0.144 0.000 0.776 372 G HN 0.396 nan 8.290 nan 0.000 0.552 373 M N 0.018 119.555 119.600 -0.105 0.000 2.159 373 M HA -0.059 4.420 4.480 -0.002 0.000 0.263 373 M C 2.640 178.834 176.300 -0.176 0.000 1.063 373 M CA 0.874 56.117 55.300 -0.095 0.000 1.110 373 M CB -0.365 32.205 32.600 -0.051 0.000 1.374 373 M HN 0.114 nan 8.290 nan 0.000 0.411 374 V N 0.334 120.077 119.914 -0.285 0.000 2.515 374 V HA -0.193 3.926 4.120 -0.002 0.000 0.250 374 V C 2.618 178.495 176.094 -0.361 0.000 1.058 374 V CA 1.776 63.879 62.300 -0.328 0.000 1.064 374 V CB -1.015 30.562 31.823 -0.410 0.000 0.675 374 V HN 0.481 nan 8.190 nan 0.000 0.461 375 A N 0.109 122.644 122.820 -0.474 0.000 1.855 375 A HA -0.144 4.174 4.320 -0.002 0.000 0.215 375 A C 2.242 179.799 177.584 -0.045 0.000 1.191 375 A CA 1.809 53.665 52.037 -0.302 0.000 0.613 375 A CB -0.779 17.823 19.000 -0.664 0.000 0.829 375 A HN 0.332 nan 8.150 nan 0.000 0.442 376 V N 0.509 120.389 119.914 -0.056 0.000 2.909 376 V HA -0.234 3.884 4.120 -0.002 0.000 0.265 376 V C 2.205 178.271 176.094 -0.047 0.000 1.128 376 V CA 2.060 64.368 62.300 0.013 0.000 1.149 376 V CB -0.929 30.907 31.823 0.022 0.000 0.725 376 V HN 0.519 nan 8.190 nan 0.000 0.511 377 E N -0.143 119.985 120.200 -0.120 0.000 2.067 377 E HA 0.118 4.467 4.350 -0.002 0.000 0.194 377 E C 2.202 178.636 176.600 -0.276 0.000 0.950 377 E CA 0.333 56.632 56.400 -0.169 0.000 0.872 377 E CB -0.214 29.379 29.700 -0.178 0.000 0.877 377 E HN 0.415 nan 8.360 nan 0.000 0.470 378 L N 0.376 121.337 121.223 -0.437 0.000 2.197 378 L HA -0.148 4.191 4.340 -0.002 0.000 0.215 378 L C 0.580 176.763 176.870 -1.144 0.000 1.095 378 L CA 1.218 55.557 54.840 -0.835 0.000 0.764 378 L CB -0.469 40.888 42.059 -1.170 0.000 0.897 378 L HN 0.015 nan 8.230 nan 0.000 0.436 379 F N -0.522 119.296 119.950 -0.219 0.000 2.564 379 F HA 0.313 4.839 4.527 -0.002 0.000 0.361 379 F C -1.545 174.143 175.800 -0.187 0.000 1.161 379 F CA -1.815 56.002 58.000 -0.305 0.000 1.198 379 F CB 0.383 39.054 39.000 -0.549 0.000 1.424 379 F HN -0.210 nan 8.300 nan 0.000 0.517 380 P HA -0.171 nan 4.420 nan 0.000 0.225 380 P C 1.107 178.325 177.300 -0.137 0.000 1.156 380 P CA 1.087 64.128 63.100 -0.099 0.000 0.787 380 P CB 0.324 31.954 31.700 -0.116 0.000 0.802 381 Q N -1.394 118.397 119.800 -0.014 0.000 2.482 381 Q HA -0.092 4.247 4.340 -0.002 0.000 0.209 381 Q C 0.687 176.962 176.000 0.458 0.000 0.961 381 Q CA 0.914 56.795 55.803 0.129 0.000 0.945 381 Q CB -0.597 28.242 28.738 0.170 0.000 1.012 381 Q HN 0.253 nan 8.270 nan 0.000 0.515 382 Y N 0.674 121.100 120.300 0.210 0.000 2.458 382 Y HA 0.168 4.716 4.550 -0.002 0.000 0.256 382 Y C -0.206 175.881 175.900 0.311 0.000 1.159 382 Y CA -0.666 57.593 58.100 0.265 0.000 1.261 382 Y CB -0.368 38.220 38.460 0.215 0.000 1.119 382 Y HN 0.291 nan 8.280 nan 0.000 0.524 383 H N -0.559 118.665 119.070 0.258 0.000 2.496 383 H HA -0.184 4.371 4.556 -0.002 0.000 0.323 383 H C -0.115 175.311 175.328 0.164 0.000 1.054 383 H CA 0.296 56.442 56.048 0.163 0.000 1.095 383 H CB -1.975 27.856 29.762 0.115 0.000 1.595 383 H HN 0.189 nan 8.280 nan 0.000 0.388 384 L N 0.357 121.740 121.223 0.266 0.000 2.468 384 L HA 0.362 4.701 4.340 -0.002 0.000 0.254 384 L C 0.939 177.926 176.870 0.195 0.000 1.171 384 L CA -0.190 54.808 54.840 0.264 0.000 0.809 384 L CB 0.878 43.156 42.059 0.366 0.000 1.155 384 L HN 0.526 nan 8.230 nan 0.000 0.473 385 E N -0.028 120.285 120.200 0.188 0.000 2.343 385 E HA 0.340 4.689 4.350 -0.002 0.000 0.260 385 E C 0.191 176.901 176.600 0.183 0.000 0.908 385 E CA -0.274 56.208 56.400 0.137 0.000 0.814 385 E CB 1.636 31.384 29.700 0.080 0.000 1.302 385 E HN 0.664 nan 8.360 nan 0.000 0.408 386 A N 4.051 126.992 122.820 0.202 0.000 1.944 386 A HA -0.315 4.003 4.320 -0.002 0.000 0.222 386 A C 1.997 179.723 177.584 0.237 0.000 1.237 386 A CA 2.580 54.770 52.037 0.255 0.000 0.668 386 A CB -1.475 17.609 19.000 0.141 0.000 0.830 386 A HN 0.878 nan 8.150 nan 0.000 0.471 387 G N -0.818 108.058 108.800 0.127 0.000 2.547 387 G HA2 -0.367 3.591 3.960 -0.002 0.000 0.221 387 G HA3 -0.367 3.591 3.960 -0.002 0.000 0.221 387 G C 1.743 176.670 174.900 0.044 0.000 1.140 387 G CA 2.680 47.826 45.100 0.078 0.000 0.760 387 G HN 0.918 nan 8.290 nan 0.000 0.583 388 T N -0.776 113.766 114.554 -0.019 0.000 2.720 388 T HA -0.130 4.218 4.350 -0.002 0.000 0.268 388 T C 2.116 176.736 174.700 -0.133 0.000 1.037 388 T CA 1.443 63.458 62.100 -0.142 0.000 1.144 388 T CB -0.564 68.133 68.868 -0.284 0.000 0.864 388 T HN 0.241 nan 8.240 nan 0.000 0.444 389 F N 2.179 122.197 119.950 0.112 0.000 2.293 389 F HA 0.268 4.794 4.527 -0.002 0.000 0.300 389 F C 2.921 178.748 175.800 0.045 0.000 1.086 389 F CA 0.413 58.454 58.000 0.067 0.000 1.375 389 F CB -0.782 38.242 39.000 0.041 0.000 1.045 389 F HN 0.259 nan 8.300 nan 0.000 0.516 390 A N 1.041 123.978 122.820 0.194 0.000 1.835 390 A HA -0.168 4.150 4.320 -0.002 0.000 0.215 390 A C 2.182 179.789 177.584 0.038 0.000 1.199 390 A CA 1.658 53.763 52.037 0.113 0.000 0.615 390 A CB -1.142 17.916 19.000 0.097 0.000 0.838 390 A HN 0.343 nan 8.150 nan 0.000 0.444 391 I N -0.145 120.431 120.570 0.009 0.000 2.657 391 I HA -0.291 3.878 4.170 -0.002 0.000 0.261 391 I C 2.692 178.767 176.117 -0.069 0.000 1.212 391 I CA 0.919 62.194 61.300 -0.041 0.000 1.453 391 I CB -0.369 37.600 38.000 -0.052 0.000 1.092 391 I HN 0.426 nan 8.210 nan 0.000 0.452 392 A N 0.610 123.411 122.820 -0.031 0.000 1.903 392 A HA 0.064 4.383 4.320 -0.002 0.000 0.213 392 A C 2.309 179.807 177.584 -0.143 0.000 1.185 392 A CA 1.323 53.335 52.037 -0.041 0.000 0.628 392 A CB -0.869 18.225 19.000 0.158 0.000 0.830 392 A HN 0.411 nan 8.150 nan 0.000 0.446 393 G N -1.156 107.548 108.800 -0.161 0.000 2.985 393 G HA2 0.105 4.064 3.960 -0.002 0.000 0.209 393 G HA3 0.105 4.064 3.960 -0.002 0.000 0.209 393 G C 1.282 175.917 174.900 -0.443 0.000 1.165 393 G CA 0.572 45.397 45.100 -0.459 0.000 0.776 393 G HN 0.435 nan 8.290 nan 0.000 0.541 394 M N 0.743 120.204 119.600 -0.232 0.000 2.213 394 M HA 0.047 4.526 4.480 -0.002 0.000 0.263 394 M C 1.971 178.125 176.300 -0.244 0.000 1.062 394 M CA 1.689 56.882 55.300 -0.179 0.000 1.105 394 M CB 0.124 32.654 32.600 -0.117 0.000 1.385 394 M HN 0.176 nan 8.290 nan 0.000 0.417 395 G N -1.498 107.131 108.800 -0.285 0.000 3.575 395 G HA2 0.411 4.370 3.960 -0.002 0.000 0.273 395 G HA3 0.411 4.370 3.960 -0.002 0.000 0.273 395 G C 1.040 175.738 174.900 -0.336 0.000 1.053 395 G CA 0.406 45.332 45.100 -0.289 0.000 0.803 395 G HN 0.516 nan 8.290 nan 0.000 0.528 396 A N 0.379 122.891 122.820 -0.514 0.000 1.968 396 A HA 0.162 4.481 4.320 -0.002 0.000 0.217 396 A C 2.129 179.492 177.584 -0.368 0.000 1.169 396 A CA 0.937 52.585 52.037 -0.648 0.000 0.638 396 A CB -0.164 17.927 19.000 -1.516 0.000 0.812 396 A HN 0.354 nan 8.150 nan 0.000 0.446 397 L N -0.194 120.882 121.223 -0.246 0.000 2.044 397 L HA 0.012 4.350 4.340 -0.002 0.000 0.205 397 L C 2.220 179.009 176.870 -0.134 0.000 1.075 397 L CA 1.358 56.196 54.840 -0.005 0.000 0.747 397 L CB -0.469 41.599 42.059 0.014 0.000 0.903 397 L HN 0.382 nan 8.230 nan 0.000 0.435 398 L N -0.883 120.185 121.223 -0.258 0.000 2.351 398 L HA -0.232 4.107 4.340 -0.002 0.000 0.220 398 L C 2.268 179.035 176.870 -0.172 0.000 1.127 398 L CA 0.996 55.648 54.840 -0.313 0.000 0.786 398 L CB -0.730 41.059 42.059 -0.449 0.000 0.914 398 L HN 0.380 nan 8.230 nan 0.000 0.443 399 A N -0.934 121.800 122.820 -0.144 0.000 1.973 399 A HA 0.272 4.590 4.320 -0.002 0.000 0.210 399 A C 2.352 179.903 177.584 -0.056 0.000 1.200 399 A CA 0.812 52.792 52.037 -0.095 0.000 0.707 399 A CB -0.166 18.765 19.000 -0.115 0.000 0.862 399 A HN 0.288 nan 8.150 nan 0.000 0.461 400 A N -0.878 121.927 122.820 -0.025 0.000 2.030 400 A HA 0.219 4.537 4.320 -0.002 0.000 0.215 400 A C 2.222 179.806 177.584 -0.000 0.000 1.164 400 A CA 1.609 53.653 52.037 0.012 0.000 0.697 400 A CB -0.299 18.758 19.000 0.095 0.000 0.827 400 A HN 0.372 nan 8.150 nan 0.000 0.457 401 S N -0.211 115.484 115.700 -0.008 0.000 2.310 401 S HA 0.137 4.606 4.470 -0.002 0.000 0.205 401 S C 1.645 176.226 174.600 -0.031 0.000 1.020 401 S CA 0.831 59.033 58.200 0.004 0.000 0.939 401 S CB -0.412 62.815 63.200 0.044 0.000 0.919 401 S HN 0.450 nan 8.310 nan 0.000 0.501 402 I N 1.416 121.925 120.570 -0.101 0.000 2.916 402 I HA -0.022 4.147 4.170 -0.002 0.000 0.267 402 I C 0.333 176.421 176.117 -0.048 0.000 1.263 402 I CA 0.516 61.726 61.300 -0.149 0.000 1.471 402 I CB -0.291 37.542 38.000 -0.277 0.000 1.089 402 I HN 0.238 nan 8.210 nan 0.000 0.468 403 R N 0.444 120.922 120.500 -0.036 0.000 3.516 403 R HA -0.181 4.157 4.340 -0.002 0.000 0.271 403 R C 0.002 176.300 176.300 -0.004 0.000 1.098 403 R CA 0.794 56.881 56.100 -0.021 0.000 0.732 403 R CB -2.193 28.101 30.300 -0.010 0.000 1.152 403 R HN 0.449 nan 8.270 nan 0.000 0.455 404 A N 0.080 122.910 122.820 0.017 0.000 3.030 404 A HA 0.443 4.762 4.320 -0.002 0.000 0.335 404 A C -1.036 176.577 177.584 0.047 0.000 1.089 404 A CA -1.014 51.058 52.037 0.059 0.000 0.807 404 A CB 0.969 20.068 19.000 0.165 0.000 1.099 404 A HN -0.030 nan 8.150 nan 0.000 0.474 405 P HA -0.185 nan 4.420 nan 0.000 0.213 405 P C 1.644 178.942 177.300 -0.004 0.000 1.170 405 P CA 0.771 63.857 63.100 -0.024 0.000 0.893 405 P CB 0.147 31.822 31.700 -0.043 0.000 0.784 406 L N -0.106 121.121 121.223 0.007 0.000 2.211 406 L HA -0.156 4.182 4.340 -0.002 0.000 0.216 406 L C 2.119 179.012 176.870 0.039 0.000 1.092 406 L CA 2.241 57.090 54.840 0.015 0.000 0.767 406 L CB -1.754 40.314 42.059 0.014 0.000 0.894 406 L HN -0.031 nan 8.230 nan 0.000 0.437 407 T N -1.136 113.468 114.554 0.083 0.000 2.894 407 T HA 0.056 4.404 4.350 -0.002 0.000 0.258 407 T C 1.652 176.408 174.700 0.092 0.000 1.043 407 T CA 0.833 63.012 62.100 0.131 0.000 1.141 407 T CB -0.504 68.538 68.868 0.290 0.000 0.873 407 T HN 0.548 nan 8.240 nan 0.000 0.449 408 G N 1.777 110.613 108.800 0.060 0.000 2.491 408 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.218 408 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.218 408 G C 1.507 176.372 174.900 -0.059 0.000 1.180 408 G CA 0.742 45.825 45.100 -0.029 0.000 0.774 408 G HN 0.487 nan 8.290 nan 0.000 0.562 409 I N 0.570 121.108 120.570 -0.052 0.000 2.226 409 I HA -0.130 4.038 4.170 -0.002 0.000 0.245 409 I C 2.531 178.627 176.117 -0.034 0.000 1.100 409 I CA 0.962 62.228 61.300 -0.057 0.000 1.374 409 I CB -0.181 37.789 38.000 -0.049 0.000 1.057 409 I HN 0.148 nan 8.210 nan 0.000 0.413 410 I N 0.074 120.637 120.570 -0.011 0.000 3.111 410 I HA -0.196 3.972 4.170 -0.002 0.000 0.272 410 I C 2.264 178.368 176.117 -0.020 0.000 1.268 410 I CA 0.488 61.784 61.300 -0.006 0.000 1.467 410 I CB -0.004 38.000 38.000 0.006 0.000 1.087 410 I HN 0.261 nan 8.210 nan 0.000 0.467 411 L N 0.292 121.498 121.223 -0.029 0.000 2.068 411 L HA -0.043 4.296 4.340 -0.002 0.000 0.204 411 L C 2.350 179.152 176.870 -0.113 0.000 1.076 411 L CA 1.671 56.475 54.840 -0.059 0.000 0.753 411 L CB -0.398 41.637 42.059 -0.040 0.000 0.910 411 L HN -0.077 nan 8.230 nan 0.000 0.439 412 V N -0.060 119.784 119.914 -0.116 0.000 2.255 412 V HA -0.281 3.838 4.120 -0.002 0.000 0.247 412 V C 2.548 178.587 176.094 -0.091 0.000 1.051 412 V CA 1.797 64.022 62.300 -0.126 0.000 1.018 412 V CB -0.955 30.794 31.823 -0.124 0.000 0.641 412 V HN 0.521 nan 8.190 nan 0.000 0.445 413 L N 0.312 121.500 121.223 -0.058 0.000 2.197 413 L HA -0.221 4.118 4.340 -0.002 0.000 0.215 413 L C 2.196 179.051 176.870 -0.025 0.000 1.095 413 L CA 1.965 56.794 54.840 -0.019 0.000 0.764 413 L CB -0.765 41.309 42.059 0.025 0.000 0.897 413 L HN 0.430 nan 8.230 nan 0.000 0.436 414 E N -1.762 118.410 120.200 -0.047 0.000 2.318 414 E HA -0.053 4.296 4.350 -0.002 0.000 0.193 414 E C 2.050 178.610 176.600 -0.066 0.000 0.998 414 E CA 0.695 57.066 56.400 -0.048 0.000 0.859 414 E CB 0.053 29.725 29.700 -0.046 0.000 0.812 414 E HN 0.560 nan 8.360 nan 0.000 0.492 415 M N -0.283 119.257 119.600 -0.100 0.000 2.545 415 M HA -0.022 4.457 4.480 -0.002 0.000 0.264 415 M C 2.272 178.509 176.300 -0.105 0.000 1.155 415 M CA 1.112 56.335 55.300 -0.130 0.000 1.162 415 M CB 0.306 32.777 32.600 -0.214 0.000 1.330 415 M HN 0.074 nan 8.290 nan 0.000 0.479 416 T N -3.980 110.523 114.554 -0.086 0.000 3.037 416 T HA 0.008 4.357 4.350 -0.002 0.000 0.251 416 T C 0.805 175.481 174.700 -0.039 0.000 1.079 416 T CA 0.231 62.292 62.100 -0.065 0.000 1.067 416 T CB 0.009 68.837 68.868 -0.067 0.000 0.948 416 T HN 0.320 nan 8.240 nan 0.000 0.496 417 D N 1.546 121.930 120.400 -0.027 0.000 2.811 417 D HA -0.156 4.483 4.640 -0.002 0.000 0.231 417 D C -0.872 175.436 176.300 0.012 0.000 1.157 417 D CA 0.461 54.459 54.000 -0.002 0.000 0.716 417 D CB -1.820 38.975 40.800 -0.007 0.000 1.077 417 D HN 0.508 nan 8.370 nan 0.000 0.428 418 N N 0.455 119.155 118.700 0.002 0.000 3.112 418 N HA 0.107 4.846 4.740 -0.002 0.000 0.270 418 N C 0.461 175.965 175.510 -0.010 0.000 1.385 418 N CA -0.467 52.575 53.050 -0.013 0.000 0.986 418 N CB 0.013 38.470 38.487 -0.050 0.000 1.261 418 N HN 0.158 nan 8.380 nan 0.000 0.495 419 Y N 1.665 121.925 120.300 -0.066 0.000 2.465 419 Y HA -0.190 4.358 4.550 -0.002 0.000 0.289 419 Y C 2.104 177.955 175.900 -0.082 0.000 1.150 419 Y CA 1.498 59.556 58.100 -0.070 0.000 1.293 419 Y CB 0.235 38.662 38.460 -0.055 0.000 0.977 419 Y HN 0.467 nan 8.280 nan 0.000 0.556 420 Q N -0.214 119.433 119.800 -0.256 0.000 2.482 420 Q HA -0.061 4.278 4.340 -0.002 0.000 0.209 420 Q C 1.052 176.851 176.000 -0.336 0.000 0.961 420 Q CA 1.143 56.756 55.803 -0.318 0.000 0.945 420 Q CB -0.470 28.168 28.738 -0.167 0.000 1.012 420 Q HN 0.628 nan 8.270 nan 0.000 0.515 421 L N -0.119 120.913 121.223 -0.318 0.000 2.616 421 L HA 0.112 4.450 4.340 -0.002 0.000 0.229 421 L C 1.913 178.571 176.870 -0.353 0.000 1.110 421 L CA -0.268 54.380 54.840 -0.320 0.000 0.884 421 L CB -0.075 41.840 42.059 -0.240 0.000 1.115 421 L HN 0.073 nan 8.230 nan 0.000 0.481 422 I N 0.582 120.919 120.570 -0.390 0.000 2.143 422 I HA -0.352 3.816 4.170 -0.002 0.000 0.245 422 I C 2.242 178.192 176.117 -0.279 0.000 1.068 422 I CA 1.732 62.840 61.300 -0.320 0.000 1.326 422 I CB -0.041 37.702 38.000 -0.428 0.000 1.028 422 I HN 0.167 nan 8.210 nan 0.000 0.412 423 L N 0.735 121.767 121.223 -0.318 0.000 1.994 423 L HA -0.090 4.249 4.340 -0.002 0.000 0.208 423 L C -0.462 176.220 176.870 -0.313 0.000 1.071 423 L CA 2.218 56.902 54.840 -0.261 0.000 0.745 423 L CB -1.714 40.198 42.059 -0.245 0.000 0.892 423 L HN 0.148 nan 8.230 nan 0.000 0.431 424 P HA -0.127 nan 4.420 nan 0.000 0.217 424 P C 1.974 179.028 177.300 -0.410 0.000 1.150 424 P CA 1.516 64.168 63.100 -0.747 0.000 0.832 424 P CB -0.062 30.728 31.700 -1.518 0.000 0.787 425 M N -1.745 117.668 119.600 -0.312 0.000 2.108 425 M HA -0.153 4.326 4.480 -0.002 0.000 0.261 425 M C 2.065 178.275 176.300 -0.150 0.000 1.066 425 M CA 1.865 57.049 55.300 -0.193 0.000 1.107 425 M CB -0.935 31.564 32.600 -0.168 0.000 1.356 425 M HN -0.037 nan 8.290 nan 0.000 0.406 426 I N 0.419 120.902 120.570 -0.145 0.000 2.193 426 I HA -0.269 3.899 4.170 -0.002 0.000 0.240 426 I C 2.345 178.410 176.117 -0.086 0.000 1.084 426 I CA 1.258 62.497 61.300 -0.102 0.000 1.365 426 I CB -0.351 37.597 38.000 -0.086 0.000 1.064 426 I HN 0.220 nan 8.210 nan 0.000 0.410 427 I N 0.508 121.024 120.570 -0.089 0.000 2.248 427 I HA -0.319 3.850 4.170 -0.002 0.000 0.248 427 I C 2.482 178.587 176.117 -0.019 0.000 1.107 427 I CA 1.558 62.833 61.300 -0.042 0.000 1.373 427 I CB -0.712 37.272 38.000 -0.027 0.000 1.055 427 I HN 0.318 nan 8.210 nan 0.000 0.418 428 T N 0.408 114.945 114.554 -0.029 0.000 2.668 428 T HA -0.071 4.278 4.350 -0.002 0.000 0.258 428 T C 1.978 176.625 174.700 -0.088 0.000 1.051 428 T CA 1.469 63.547 62.100 -0.037 0.000 1.155 428 T CB -0.822 68.020 68.868 -0.043 0.000 0.864 428 T HN 0.539 nan 8.240 nan 0.000 0.413 429 G N 1.440 110.167 108.800 -0.122 0.000 2.469 429 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.219 429 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.219 429 G C 1.557 176.405 174.900 -0.085 0.000 1.150 429 G CA 1.115 46.139 45.100 -0.128 0.000 0.763 429 G HN 0.380 nan 8.290 nan 0.000 0.561 430 L N 1.158 122.342 121.223 -0.066 0.000 1.961 430 L HA 0.142 4.481 4.340 -0.002 0.000 0.210 430 L C 3.009 179.848 176.870 -0.051 0.000 1.072 430 L CA 2.508 57.316 54.840 -0.054 0.000 0.749 430 L CB -1.077 40.957 42.059 -0.040 0.000 0.889 430 L HN 0.194 nan 8.230 nan 0.000 0.432 431 G N -1.073 107.709 108.800 -0.029 0.000 2.550 431 G HA2 -0.371 3.587 3.960 -0.002 0.000 0.222 431 G HA3 -0.371 3.587 3.960 -0.002 0.000 0.222 431 G C 1.544 176.432 174.900 -0.020 0.000 1.113 431 G CA 1.178 46.270 45.100 -0.012 0.000 0.748 431 G HN 0.699 nan 8.290 nan 0.000 0.585 432 A N 0.237 123.044 122.820 -0.022 0.000 1.845 432 A HA -0.035 4.283 4.320 -0.002 0.000 0.215 432 A C 2.528 180.090 177.584 -0.037 0.000 1.195 432 A CA 2.534 54.572 52.037 0.002 0.000 0.616 432 A CB -1.160 17.837 19.000 -0.005 0.000 0.832 432 A HN 0.288 nan 8.150 nan 0.000 0.443 433 T N 0.488 115.002 114.554 -0.066 0.000 2.803 433 T HA -0.106 4.243 4.350 -0.002 0.000 0.269 433 T C 1.750 176.349 174.700 -0.169 0.000 1.052 433 T CA 1.380 63.424 62.100 -0.094 0.000 1.136 433 T CB -0.348 68.468 68.868 -0.086 0.000 0.864 433 T HN 0.327 nan 8.240 nan 0.000 0.467 434 L N 0.144 121.250 121.223 -0.195 0.000 2.044 434 L HA 0.009 4.348 4.340 -0.002 0.000 0.205 434 L C 2.362 178.974 176.870 -0.430 0.000 1.075 434 L CA 0.788 55.401 54.840 -0.379 0.000 0.747 434 L CB -0.333 41.581 42.059 -0.242 0.000 0.903 434 L HN 0.246 nan 8.230 nan 0.000 0.435 435 L N -0.473 120.658 121.223 -0.154 0.000 2.291 435 L HA -0.078 4.261 4.340 -0.002 0.000 0.214 435 L C 2.628 179.483 176.870 -0.025 0.000 1.120 435 L CA 1.492 56.314 54.840 -0.030 0.000 0.799 435 L CB -1.174 40.911 42.059 0.043 0.000 0.925 435 L HN 0.189 nan 8.230 nan 0.000 0.446 436 A N -1.120 121.661 122.820 -0.066 0.000 1.930 436 A HA -0.193 4.126 4.320 -0.002 0.000 0.215 436 A C 2.228 179.781 177.584 -0.052 0.000 1.176 436 A CA 0.996 53.010 52.037 -0.038 0.000 0.632 436 A CB -0.287 18.692 19.000 -0.035 0.000 0.819 436 A HN 0.432 nan 8.150 nan 0.000 0.445 437 Q N -1.014 118.698 119.800 -0.147 0.000 1.993 437 Q HA -0.161 4.178 4.340 -0.002 0.000 0.202 437 Q C 1.388 177.405 176.000 0.029 0.000 0.984 437 Q CA 1.649 57.376 55.803 -0.128 0.000 0.837 437 Q CB -0.247 28.313 28.738 -0.296 0.000 0.902 437 Q HN 0.575 nan 8.270 nan 0.000 0.423 438 F N 0.616 120.581 119.950 0.025 0.000 2.664 438 F HA -0.054 4.471 4.527 -0.002 0.000 0.297 438 F C 1.762 177.576 175.800 0.023 0.000 1.164 438 F CA 1.302 59.317 58.000 0.025 0.000 1.472 438 F CB -0.612 38.404 39.000 0.027 0.000 1.108 438 F HN 0.164 nan 8.300 nan 0.000 0.596 439 T N -3.858 110.798 114.554 0.169 0.000 3.293 439 T HA 0.494 4.843 4.350 -0.002 0.000 0.276 439 T C 1.394 176.133 174.700 0.065 0.000 1.003 439 T CA 0.098 62.260 62.100 0.104 0.000 0.916 439 T CB -0.015 68.898 68.868 0.075 0.000 1.134 439 T HN 0.383 nan 8.240 nan 0.000 0.530 440 G N 0.662 109.508 108.800 0.076 0.000 2.166 440 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.260 440 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.260 440 G C 0.626 175.545 174.900 0.030 0.000 0.986 440 G CA -0.120 45.012 45.100 0.053 0.000 0.683 440 G HN 1.119 nan 8.290 nan 0.000 0.527 441 G N -0.774 108.037 108.800 0.018 0.000 2.664 441 G HA2 0.483 4.441 3.960 -0.002 0.000 0.242 441 G HA3 0.483 4.441 3.960 -0.002 0.000 0.242 441 G C 0.014 174.924 174.900 0.016 0.000 1.225 441 G CA 0.328 45.429 45.100 0.002 0.000 0.849 441 G HN 0.568 nan 8.290 nan 0.000 0.581 442 K N 0.575 120.986 120.400 0.019 0.000 2.527 442 K HA 0.284 4.603 4.320 -0.002 0.000 0.260 442 K C -2.855 173.775 176.600 0.050 0.000 0.937 442 K CA -1.711 54.600 56.287 0.041 0.000 0.826 442 K CB 2.870 35.401 32.500 0.052 0.000 1.359 442 K HN 0.121 nan 8.250 nan 0.000 0.434 443 P HA -0.056 nan 4.420 nan 0.000 0.258 443 P C 0.495 177.867 177.300 0.120 0.000 1.214 443 P CA 0.020 63.166 63.100 0.077 0.000 0.872 443 P CB 0.233 31.989 31.700 0.094 0.000 0.890 444 L N 4.637 125.922 121.223 0.103 0.000 2.137 444 L HA -0.249 4.090 4.340 -0.002 0.000 0.213 444 L C 1.457 178.549 176.870 0.370 0.000 1.085 444 L CA 2.122 57.071 54.840 0.182 0.000 0.760 444 L CB -0.805 41.345 42.059 0.152 0.000 0.893 444 L HN 0.345 nan 8.230 nan 0.000 0.434 445 Y N -1.461 118.930 120.300 0.152 0.000 2.365 445 Y HA 0.025 4.574 4.550 -0.002 0.000 0.293 445 Y C 2.767 178.738 175.900 0.120 0.000 1.119 445 Y CA 0.748 58.943 58.100 0.157 0.000 1.203 445 Y CB -0.839 37.730 38.460 0.182 0.000 1.026 445 Y HN 0.200 nan 8.280 nan 0.000 0.549 446 S N -0.102 115.762 115.700 0.273 0.000 2.371 446 S HA -0.081 4.388 4.470 -0.002 0.000 0.224 446 S C 2.350 177.040 174.600 0.150 0.000 1.029 446 S CA 0.854 59.168 58.200 0.189 0.000 0.978 446 S CB -0.400 62.907 63.200 0.178 0.000 0.833 446 S HN 0.437 nan 8.310 nan 0.000 0.466 447 A N 1.770 124.678 122.820 0.146 0.000 1.883 447 A HA -0.074 4.244 4.320 -0.002 0.000 0.217 447 A C 2.021 179.665 177.584 0.100 0.000 1.186 447 A CA 1.305 53.407 52.037 0.109 0.000 0.624 447 A CB -0.834 18.227 19.000 0.101 0.000 0.822 447 A HN 0.485 nan 8.150 nan 0.000 0.444 448 I N -1.025 119.624 120.570 0.132 0.000 2.335 448 I HA -0.241 3.927 4.170 -0.002 0.000 0.251 448 I C 2.393 178.549 176.117 0.064 0.000 1.129 448 I CA 1.145 62.506 61.300 0.102 0.000 1.402 448 I CB -0.182 37.904 38.000 0.143 0.000 1.069 448 I HN 0.376 nan 8.210 nan 0.000 0.424 449 L N 0.798 122.066 121.223 0.075 0.000 2.127 449 L HA 0.066 4.405 4.340 -0.002 0.000 0.203 449 L C 2.511 179.406 176.870 0.043 0.000 1.080 449 L CA 1.652 56.523 54.840 0.050 0.000 0.768 449 L CB -0.581 41.515 42.059 0.062 0.000 0.924 449 L HN 0.119 nan 8.230 nan 0.000 0.444 450 A N -0.768 122.084 122.820 0.054 0.000 2.186 450 A HA -0.189 4.130 4.320 -0.002 0.000 0.219 450 A C 2.331 179.930 177.584 0.025 0.000 1.159 450 A CA 1.629 53.688 52.037 0.036 0.000 0.680 450 A CB -0.514 18.511 19.000 0.041 0.000 0.787 450 A HN 0.498 nan 8.150 nan 0.000 0.467 451 R N -2.375 118.141 120.500 0.027 0.000 2.087 451 R HA 0.021 4.360 4.340 -0.002 0.000 0.213 451 R C 2.282 178.586 176.300 0.006 0.000 1.137 451 R CA 1.086 57.195 56.100 0.015 0.000 1.022 451 R CB -0.632 29.677 30.300 0.015 0.000 0.920 451 R HN 0.385 nan 8.270 nan 0.000 0.451 452 T N 0.554 115.111 114.554 0.006 0.000 2.969 452 T HA -0.111 4.237 4.350 -0.002 0.000 0.271 452 T C 1.279 175.978 174.700 -0.001 0.000 1.127 452 T CA 0.997 63.095 62.100 -0.003 0.000 1.102 452 T CB -0.017 68.847 68.868 -0.006 0.000 0.855 452 T HN -0.050 nan 8.240 nan 0.000 0.536 453 L N -0.150 121.076 121.223 0.004 0.000 2.349 453 L HA 0.558 4.896 4.340 -0.002 0.000 0.200 453 L C 2.500 179.371 176.870 0.002 0.000 1.064 453 L CA 1.159 56.001 54.840 0.004 0.000 0.821 453 L CB -0.888 41.175 42.059 0.007 0.000 1.027 453 L HN 0.175 nan 8.230 nan 0.000 0.476 454 A N -1.166 121.656 122.820 0.003 0.000 2.209 454 A HA -0.119 4.200 4.320 -0.002 0.000 0.212 454 A C 2.120 179.706 177.584 0.003 0.000 1.158 454 A CA 1.272 53.310 52.037 0.002 0.000 0.742 454 A CB -0.301 18.701 19.000 0.003 0.000 0.790 454 A HN 0.274 nan 8.150 nan 0.000 0.472 455 K N 0.040 120.441 120.400 0.002 0.000 2.078 455 K HA -0.017 4.301 4.320 -0.002 0.000 0.203 455 K C 1.930 178.531 176.600 0.002 0.000 1.043 455 K CA 1.333 57.621 56.287 0.001 0.000 0.960 455 K CB -0.324 32.173 32.500 -0.005 0.000 0.761 455 K HN 0.398 nan 8.250 nan 0.000 0.448 456 Q N 0.340 120.140 119.800 0.000 0.000 2.591 456 Q HA -0.136 4.203 4.340 -0.002 0.000 0.219 456 Q C -0.510 175.491 176.000 0.003 0.000 0.981 456 Q CA 0.824 56.627 55.803 0.001 0.000 0.945 456 Q CB 0.146 28.883 28.738 -0.001 0.000 0.985 456 Q HN 0.101 nan 8.270 nan 0.000 0.542 457 E N 0.063 120.264 120.200 0.003 0.000 3.406 457 E HA 0.512 4.861 4.350 -0.002 0.000 0.210 457 E C -1.345 175.258 176.600 0.005 0.000 1.167 457 E CA 0.006 56.408 56.400 0.003 0.000 1.132 457 E CB 0.563 30.264 29.700 0.002 0.000 1.309 457 E HN 0.375 nan 8.360 nan 0.000 0.424 458 A N 0.000 122.824 122.820 0.006 0.000 2.254 458 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 458 A CA 0.000 52.042 52.037 0.008 0.000 0.836 458 A CB 0.000 19.006 19.000 0.010 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486