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 2fgy_1_B DATA FIRST_RESID 38 DATA SEQUENCE HPAcITLPER TcRHPLTDLE ANEQLGRCED SVKNRFDRVI PFLQVVAGIP DATA SEQUENCE LGLDHVTRVQ ELAQSSLGHT LPEELLKDNW ISGHNLKGIF GYATAKALTA DATA SEQUENCE ATEQFSRXXX XXXDDSASAI GFFLDCGFHA VDISPCADGR LKGLLPYILR DATA SEQUENCE LPLTAFTYRK AYAGSMFDIE DDLAQWEKNE LRRYREGVPN TADQPTRYLK DATA SEQUENCE IAVYHFSTSD PTHSGCAAHG SNDRAALEAA LTQLMKFREA VENAHCCGAS DATA SEQUENCE IDILLIGVDT DTDAIRVHIP DSKGFLNPYR YVDNTVTYAQ TLHLAPDEAR DATA SEQUENCE VIIHEAILNA NRSDGWAKGN GVASEGMRRF IGQLLINNLS QIDYVVNRHG DATA SEQUENCE GRYPPNDIGH AERYISVGDG FDEVQIRNLA YYAHLDTVEE NAIDVDVGIT DATA SEQUENCE IFTKLNLSRG LPIPIAIHYR YDPNVPGSRE RTVVKARRIY NAIKERFSSL DATA SEQUENCE DEQNLLQFRL SVQAQDIGSP IEEVASA 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 38 H HA 0.000 nan 4.556 nan 0.000 0.296 38 H C 0.000 175.332 175.328 0.007 0.000 0.993 38 H CA 0.000 56.049 56.048 0.001 0.000 1.023 38 H CB 0.000 29.752 29.762 -0.017 0.000 1.292 39 P HA 0.122 nan 4.420 nan 0.000 0.236 39 P C 0.653 177.928 177.300 -0.041 0.000 1.177 39 P CA 1.007 64.023 63.100 -0.140 0.000 0.773 39 P CB 0.488 32.093 31.700 -0.158 0.000 0.878 40 A N -0.849 121.971 122.820 0.001 0.000 1.999 40 A HA 0.141 4.461 4.320 -0.000 0.000 0.200 40 A C 1.168 178.866 177.584 0.191 0.000 1.363 40 A CA 0.344 52.413 52.037 0.053 0.000 0.844 40 A CB -0.524 18.315 19.000 -0.268 0.000 0.954 40 A HN 0.320 nan 8.150 nan 0.000 0.481 41 c N 1.771 120.549 118.600 0.296 0.000 2.125 41 c HA 0.556 5.126 4.570 -0.000 0.000 0.355 41 c C 1.689 175.877 174.090 0.163 0.000 1.047 41 c CA -0.877 55.555 56.329 0.172 0.000 1.501 41 c CB -2.418 40.065 42.510 -0.045 0.000 1.783 41 c HN 0.543 nan 8.230 nan 0.000 0.455 42 I N 3.242 123.915 120.570 0.171 0.000 2.185 42 I HA -0.210 3.960 4.170 -0.000 0.000 0.246 42 I C 2.590 178.769 176.117 0.103 0.000 1.088 42 I CA 2.392 63.774 61.300 0.136 0.000 1.347 42 I CB -0.334 37.748 38.000 0.137 0.000 1.041 42 I HN 0.775 nan 8.210 nan 0.000 0.415 43 T N -0.913 113.699 114.554 0.096 0.000 3.160 43 T HA 0.179 4.529 4.350 -0.000 0.000 0.257 43 T C 0.683 175.408 174.700 0.042 0.000 1.147 43 T CA -0.042 62.099 62.100 0.068 0.000 1.064 43 T CB -0.631 68.281 68.868 0.073 0.000 0.949 43 T HN 0.093 nan 8.240 nan 0.000 0.526 44 L N 2.314 123.554 121.223 0.030 0.000 2.461 44 L HA 0.242 4.582 4.340 -0.000 0.000 0.272 44 L C -0.805 176.079 176.870 0.023 0.000 1.197 44 L CA -1.670 53.171 54.840 0.001 0.000 0.836 44 L CB 0.646 42.671 42.059 -0.057 0.000 1.105 44 L HN 0.037 nan 8.230 nan 0.000 0.477 45 P HA 0.026 nan 4.420 nan 0.000 0.251 45 P C 0.571 177.870 177.300 -0.002 0.000 1.223 45 P CA 0.446 63.545 63.100 -0.002 0.000 0.796 45 P CB 0.357 32.059 31.700 0.003 0.000 1.068 46 E N -0.274 119.931 120.200 0.007 0.000 2.427 46 E HA 0.032 4.382 4.350 -0.000 0.000 0.196 46 E C 0.926 177.530 176.600 0.007 0.000 1.028 46 E CA 0.486 56.891 56.400 0.007 0.000 0.864 46 E CB 0.076 29.782 29.700 0.011 0.000 0.813 46 E HN 0.127 nan 8.360 nan 0.000 0.514 47 R N -0.035 120.470 120.500 0.009 0.000 2.535 47 R HA 0.253 4.593 4.340 -0.000 0.000 0.274 47 R C -1.386 174.920 176.300 0.010 0.000 1.090 47 R CA -0.288 55.819 56.100 0.013 0.000 0.930 47 R CB 1.561 31.877 30.300 0.027 0.000 1.223 47 R HN -0.062 nan 8.270 nan 0.000 0.441 48 T N 3.199 117.755 114.554 0.003 0.000 2.837 48 T HA 0.312 4.662 4.350 -0.000 0.000 0.285 48 T C -0.043 174.672 174.700 0.025 0.000 0.984 48 T CA -0.277 61.819 62.100 -0.006 0.000 1.049 48 T CB 0.686 69.540 68.868 -0.025 0.000 0.947 48 T HN 0.520 nan 8.240 nan 0.000 0.472 49 c N 3.942 122.571 118.600 0.050 0.000 2.536 49 c HA 0.512 5.082 4.570 -0.000 0.000 0.396 49 c C 0.765 174.917 174.090 0.104 0.000 1.279 49 c CA -0.959 55.431 56.329 0.102 0.000 2.148 49 c CB -0.504 42.144 42.510 0.230 0.000 2.584 49 c HN 0.782 nan 8.230 nan 0.000 0.579 50 R N 1.963 122.498 120.500 0.059 0.000 2.435 50 R HA 0.321 4.661 4.340 -0.000 0.000 0.308 50 R C -0.630 175.667 176.300 -0.006 0.000 0.975 50 R CA -0.540 55.594 56.100 0.056 0.000 0.867 50 R CB 0.974 31.288 30.300 0.023 0.000 1.171 50 R HN 0.779 nan 8.270 nan 0.000 0.470 51 H N 5.289 124.317 119.070 -0.070 0.000 2.683 51 H HA 0.110 4.666 4.556 -0.000 0.000 0.339 51 H C -1.419 173.835 175.328 -0.123 0.000 1.081 51 H CA -1.633 54.284 56.048 -0.219 0.000 1.432 51 H CB 1.707 31.250 29.762 -0.365 0.000 1.462 51 H HN 0.374 nan 8.280 nan 0.000 0.557 52 P HA -0.083 nan 4.420 nan 0.000 0.225 52 P C 1.134 178.480 177.300 0.076 0.000 1.148 52 P CA 0.796 63.857 63.100 -0.064 0.000 0.779 52 P CB 0.402 32.011 31.700 -0.152 0.000 0.780 53 L N -0.914 120.476 121.223 0.279 0.000 2.611 53 L HA 0.129 4.469 4.340 -0.000 0.000 0.229 53 L C 0.660 177.569 176.870 0.066 0.000 1.137 53 L CA 0.073 54.993 54.840 0.133 0.000 0.901 53 L CB -0.673 41.436 42.059 0.083 0.000 1.098 53 L HN -0.167 nan 8.230 nan 0.000 0.456 54 T N 0.321 114.931 114.554 0.093 0.000 2.870 54 T HA -0.009 4.341 4.350 -0.000 0.000 0.300 54 T C 0.112 174.834 174.700 0.037 0.000 0.989 54 T CA -0.079 62.059 62.100 0.065 0.000 1.139 54 T CB 0.856 69.785 68.868 0.102 0.000 0.920 54 T HN -0.019 nan 8.240 nan 0.000 0.537 55 D N 3.640 124.051 120.400 0.019 0.000 2.422 55 D HA 0.147 4.787 4.640 -0.000 0.000 0.227 55 D C 1.166 177.477 176.300 0.019 0.000 1.190 55 D CA -0.227 53.776 54.000 0.005 0.000 0.905 55 D CB 0.254 41.043 40.800 -0.019 0.000 1.034 55 D HN 0.449 nan 8.370 nan 0.000 0.507 56 L N 2.636 123.872 121.223 0.022 0.000 2.056 56 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 56 L C 2.166 179.051 176.870 0.025 0.000 1.078 56 L CA 0.776 55.633 54.840 0.028 0.000 0.749 56 L CB -0.109 41.961 42.059 0.019 0.000 0.901 56 L HN 0.318 nan 8.230 nan 0.000 0.433 57 E N 0.377 120.584 120.200 0.012 0.000 2.072 57 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 57 E C 2.325 178.930 176.600 0.009 0.000 0.985 57 E CA 1.374 57.779 56.400 0.010 0.000 0.801 57 E CB -0.345 29.356 29.700 0.001 0.000 0.750 57 E HN 0.441 nan 8.360 nan 0.000 0.452 58 A N 1.976 124.792 122.820 -0.006 0.000 1.908 58 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 58 A C 1.983 179.565 177.584 -0.003 0.000 1.181 58 A CA 1.878 53.898 52.037 -0.029 0.000 0.627 58 A CB -0.646 18.318 19.000 -0.060 0.000 0.818 58 A HN 0.166 nan 8.150 nan 0.000 0.445 59 N N -0.047 118.686 118.700 0.054 0.000 2.104 59 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 59 N C 1.712 177.335 175.510 0.188 0.000 1.024 59 N CA 1.361 54.518 53.050 0.177 0.000 0.853 59 N CB -0.339 38.269 38.487 0.202 0.000 1.008 59 N HN 0.471 nan 8.380 nan 0.000 0.424 60 E N 1.048 121.305 120.200 0.096 0.000 2.038 60 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 60 E C 1.864 178.516 176.600 0.087 0.000 1.000 60 E CA 1.112 57.557 56.400 0.075 0.000 0.803 60 E CB -0.144 29.581 29.700 0.043 0.000 0.750 60 E HN 0.489 nan 8.360 nan 0.000 0.448 61 Q N 0.024 119.861 119.800 0.062 0.000 2.124 61 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 61 Q C 2.442 178.469 176.000 0.044 0.000 0.977 61 Q CA 0.986 56.825 55.803 0.060 0.000 0.850 61 Q CB -0.074 28.683 28.738 0.031 0.000 0.901 61 Q HN 0.242 nan 8.270 nan 0.000 0.429 62 L N -0.595 120.634 121.223 0.010 0.000 2.141 62 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 62 L C 2.299 179.343 176.870 0.289 0.000 1.094 62 L CA 1.017 55.827 54.840 -0.050 0.000 0.763 62 L CB -0.578 41.261 42.059 -0.366 0.000 0.908 62 L HN 0.332 nan 8.230 nan 0.000 0.437 63 G N -0.513 108.516 108.800 0.383 0.000 2.394 63 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 63 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 63 G C 1.699 176.705 174.900 0.177 0.000 1.165 63 G CA 0.069 45.366 45.100 0.327 0.000 0.784 63 G HN 0.128 nan 8.290 nan 0.000 0.535 64 R N 0.080 120.662 120.500 0.137 0.000 2.083 64 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 64 R C 2.613 178.994 176.300 0.135 0.000 1.137 64 R CA 1.317 57.497 56.100 0.135 0.000 0.951 64 R CB -1.476 28.916 30.300 0.153 0.000 0.851 64 R HN 0.453 nan 8.270 nan 0.000 0.434 65 C N 1.341 120.665 119.300 0.039 0.000 2.432 65 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 65 C C 2.715 177.626 174.990 -0.130 0.000 1.249 65 C CA 1.181 60.014 59.018 -0.308 0.000 1.725 65 C CB -0.834 26.537 27.740 -0.616 0.000 2.028 65 C HN 0.589 nan 8.230 nan 0.000 0.477 66 E N 0.006 120.247 120.200 0.068 0.000 2.051 66 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 66 E C 1.617 178.266 176.600 0.081 0.000 0.991 66 E CA 1.976 58.430 56.400 0.090 0.000 0.799 66 E CB -0.251 29.554 29.700 0.174 0.000 0.748 66 E HN 0.618 nan 8.360 nan 0.000 0.449 67 D N -0.058 120.403 120.400 0.101 0.000 2.097 67 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 67 D C 2.059 178.422 176.300 0.107 0.000 0.984 67 D CA 1.355 55.411 54.000 0.094 0.000 0.826 67 D CB -0.521 40.328 40.800 0.082 0.000 0.973 67 D HN 0.135 nan 8.370 nan 0.000 0.460 68 S N 0.116 115.893 115.700 0.129 0.000 2.348 68 S HA -0.128 4.341 4.470 -0.000 0.000 0.221 68 S C 2.196 176.901 174.600 0.175 0.000 1.033 68 S CA 1.322 59.620 58.200 0.163 0.000 1.010 68 S CB -0.410 62.944 63.200 0.257 0.000 0.891 68 S HN 0.042 nan 8.310 nan 0.000 0.442 69 V N 2.001 122.020 119.914 0.174 0.000 2.261 69 V HA -0.162 3.957 4.120 -0.000 0.000 0.246 69 V C 2.633 178.898 176.094 0.285 0.000 1.047 69 V CA 2.228 64.657 62.300 0.215 0.000 1.015 69 V CB -0.742 31.162 31.823 0.136 0.000 0.642 69 V HN 0.483 nan 8.190 nan 0.000 0.446 70 K N 0.060 120.575 120.400 0.192 0.000 2.097 70 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 70 K C 2.165 178.892 176.600 0.213 0.000 1.049 70 K CA 1.567 57.969 56.287 0.191 0.000 0.933 70 K CB -0.372 32.181 32.500 0.088 0.000 0.717 70 K HN 0.541 nan 8.250 nan 0.000 0.442 71 N N 1.129 119.923 118.700 0.156 0.000 2.069 71 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 71 N C 1.754 177.328 175.510 0.107 0.000 1.031 71 N CA 1.096 54.218 53.050 0.119 0.000 0.852 71 N CB 0.112 38.652 38.487 0.088 0.000 1.018 71 N HN 0.154 nan 8.380 nan 0.000 0.423 72 R N -0.559 119.992 120.500 0.086 0.000 2.103 72 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 72 R C 2.091 178.322 176.300 -0.114 0.000 1.142 72 R CA 1.619 57.690 56.100 -0.048 0.000 0.960 72 R CB -0.368 29.848 30.300 -0.141 0.000 0.858 72 R HN 0.308 nan 8.270 nan 0.000 0.439 73 F N 0.755 120.726 119.950 0.035 0.000 2.118 73 F HA -0.107 4.420 4.527 -0.000 0.000 0.293 73 F C 2.158 178.006 175.800 0.081 0.000 1.102 73 F CA 1.132 59.162 58.000 0.049 0.000 1.247 73 F CB -0.213 38.839 39.000 0.085 0.000 1.017 73 F HN -0.073 nan 8.300 nan 0.000 0.475 74 D N 0.212 120.778 120.400 0.278 0.000 2.219 74 D HA -0.138 4.502 4.640 -0.000 0.000 0.205 74 D C 2.145 178.541 176.300 0.159 0.000 0.970 74 D CA 0.884 55.005 54.000 0.201 0.000 0.851 74 D CB -0.483 40.407 40.800 0.149 0.000 0.943 74 D HN 0.390 nan 8.370 nan 0.000 0.488 75 R N 0.776 121.349 120.500 0.121 0.000 2.280 75 R HA 0.012 4.352 4.340 -0.000 0.000 0.207 75 R C 1.697 178.074 176.300 0.128 0.000 1.043 75 R CA 0.438 56.597 56.100 0.098 0.000 1.006 75 R CB -0.524 29.805 30.300 0.048 0.000 0.885 75 R HN 0.008 nan 8.270 nan 0.000 0.467 76 V N 1.948 121.945 119.914 0.139 0.000 2.392 76 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 76 V C 2.481 178.773 176.094 0.331 0.000 1.059 76 V CA 1.430 63.856 62.300 0.211 0.000 1.051 76 V CB -0.397 31.532 31.823 0.176 0.000 0.658 76 V HN 0.296 nan 8.190 nan 0.000 0.455 77 I N 0.194 120.927 120.570 0.273 0.000 2.133 77 I HA -0.079 4.091 4.170 -0.000 0.000 0.238 77 I C 0.167 176.382 176.117 0.164 0.000 1.074 77 I CA 1.549 62.984 61.300 0.227 0.000 1.342 77 I CB -2.957 35.150 38.000 0.179 0.000 1.053 77 I HN 0.338 nan 8.210 nan 0.000 0.404 78 P HA -0.221 nan 4.420 nan 0.000 0.216 78 P C 2.015 179.390 177.300 0.126 0.000 1.150 78 P CA 1.489 64.653 63.100 0.107 0.000 0.843 78 P CB -0.302 31.458 31.700 0.101 0.000 0.787 79 F N 0.268 120.239 119.950 0.035 0.000 2.095 79 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 79 F C 2.008 177.820 175.800 0.019 0.000 1.104 79 F CA 1.481 59.493 58.000 0.020 0.000 1.232 79 F CB -0.933 38.079 39.000 0.020 0.000 0.987 79 F HN -0.255 nan 8.300 nan 0.000 0.475 80 L N 0.090 121.325 121.223 0.020 0.000 2.083 80 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 80 L C 2.632 179.411 176.870 -0.152 0.000 1.083 80 L CA 0.997 55.773 54.840 -0.106 0.000 0.752 80 L CB -0.786 41.334 42.059 0.103 0.000 0.899 80 L HN 0.248 nan 8.230 nan 0.000 0.433 81 Q N -0.400 119.354 119.800 -0.077 0.000 2.096 81 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 81 Q C 2.387 178.310 176.000 -0.129 0.000 0.982 81 Q CA 1.529 57.287 55.803 -0.075 0.000 0.850 81 Q CB -0.588 28.131 28.738 -0.031 0.000 0.901 81 Q HN 0.411 nan 8.270 nan 0.000 0.422 82 V N 0.770 120.582 119.914 -0.169 0.000 2.261 82 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 82 V C 2.574 178.487 176.094 -0.302 0.000 1.047 82 V CA 1.503 63.684 62.300 -0.198 0.000 1.015 82 V CB -0.772 30.947 31.823 -0.174 0.000 0.642 82 V HN 0.098 nan 8.190 nan 0.000 0.446 83 V N 0.588 120.218 119.914 -0.474 0.000 2.324 83 V HA -0.326 3.793 4.120 -0.000 0.000 0.250 83 V C 2.727 178.492 176.094 -0.548 0.000 1.060 83 V CA 2.193 64.156 62.300 -0.562 0.000 1.042 83 V CB -1.290 30.155 31.823 -0.630 0.000 0.650 83 V HN 0.580 nan 8.190 nan 0.000 0.450 84 A N 0.335 122.972 122.820 -0.306 0.000 1.972 84 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 84 A C 2.263 179.811 177.584 -0.061 0.000 1.169 84 A CA 1.772 53.738 52.037 -0.119 0.000 0.635 84 A CB -0.872 18.096 19.000 -0.053 0.000 0.810 84 A HN 0.581 nan 8.150 nan 0.000 0.446 85 G N -0.918 107.813 108.800 -0.114 0.000 2.985 85 G HA2 0.290 4.250 3.960 -0.000 0.000 0.209 85 G HA3 0.290 4.250 3.960 -0.000 0.000 0.209 85 G C 0.515 175.370 174.900 -0.076 0.000 1.165 85 G CA -0.219 44.838 45.100 -0.072 0.000 0.776 85 G HN 0.445 nan 8.290 nan 0.000 0.541 86 I N 1.899 122.384 120.570 -0.142 0.000 2.556 86 I HA 0.154 4.324 4.170 -0.000 0.000 0.284 86 I C -1.957 174.140 176.117 -0.034 0.000 1.114 86 I CA -1.875 59.332 61.300 -0.154 0.000 1.418 86 I CB 1.301 39.085 38.000 -0.359 0.000 1.394 86 I HN -0.094 nan 8.210 nan 0.000 0.552 87 P HA 0.097 nan 4.420 nan 0.000 0.265 87 P C -0.590 176.682 177.300 -0.048 0.000 1.193 87 P CA 0.006 63.087 63.100 -0.032 0.000 0.765 87 P CB 0.368 32.059 31.700 -0.015 0.000 0.823 88 L N 1.771 122.948 121.223 -0.077 0.000 2.453 88 L HA 0.417 4.757 4.340 -0.000 0.000 0.261 88 L C 1.806 178.682 176.870 0.009 0.000 1.179 88 L CA 0.353 55.148 54.840 -0.075 0.000 0.813 88 L CB -0.272 41.680 42.059 -0.178 0.000 1.110 88 L HN 0.744 nan 8.230 nan 0.000 0.466 89 G N 1.609 110.441 108.800 0.054 0.000 2.217 89 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 89 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 89 G C -0.249 174.696 174.900 0.076 0.000 0.990 89 G CA -0.187 44.941 45.100 0.047 0.000 0.627 89 G HN 0.364 nan 8.290 nan 0.000 0.522 90 L N 0.729 122.029 121.223 0.128 0.000 2.385 90 L HA 0.536 4.875 4.340 -0.000 0.000 0.273 90 L C -0.228 176.755 176.870 0.189 0.000 0.990 90 L CA -1.102 53.812 54.840 0.123 0.000 0.821 90 L CB 1.923 44.041 42.059 0.098 0.000 1.279 90 L HN 0.091 nan 8.230 nan 0.000 0.412 91 D N 2.122 122.567 120.400 0.076 0.000 2.493 91 D HA 0.007 4.647 4.640 -0.000 0.000 0.240 91 D C 0.524 176.853 176.300 0.048 0.000 1.142 91 D CA 0.706 54.695 54.000 -0.019 0.000 0.872 91 D CB 0.447 41.228 40.800 -0.031 0.000 1.173 91 D HN 0.640 nan 8.370 nan 0.000 0.467 92 H N 1.706 120.802 119.070 0.043 0.000 3.124 92 H HA 0.141 4.697 4.556 -0.000 0.000 0.250 92 H C 0.847 176.194 175.328 0.033 0.000 1.184 92 H CA -0.184 55.886 56.048 0.036 0.000 1.013 92 H CB -0.746 29.045 29.762 0.047 0.000 1.891 92 H HN 0.223 nan 8.280 nan 0.000 0.687 93 V N 1.676 121.509 119.914 -0.136 0.000 2.219 93 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 93 V C 2.437 178.539 176.094 0.014 0.000 1.053 93 V CA 2.873 65.135 62.300 -0.063 0.000 1.009 93 V CB -0.771 31.008 31.823 -0.075 0.000 0.636 93 V HN 0.452 nan 8.190 nan 0.000 0.445 94 T N -0.369 114.194 114.554 0.014 0.000 2.788 94 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 94 T C 2.001 176.728 174.700 0.045 0.000 1.044 94 T CA 1.736 63.852 62.100 0.026 0.000 1.139 94 T CB -0.333 68.546 68.868 0.019 0.000 0.867 94 T HN 0.408 nan 8.240 nan 0.000 0.454 95 R N 0.659 121.195 120.500 0.061 0.000 2.096 95 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 95 R C 2.158 178.505 176.300 0.077 0.000 1.127 95 R CA 1.183 57.324 56.100 0.068 0.000 0.968 95 R CB -0.350 30.000 30.300 0.083 0.000 0.861 95 R HN 0.273 nan 8.270 nan 0.000 0.440 96 V N 0.579 120.553 119.914 0.100 0.000 2.407 96 V HA -0.150 3.969 4.120 -0.000 0.000 0.245 96 V C 2.247 178.427 176.094 0.143 0.000 1.041 96 V CA 1.521 63.892 62.300 0.117 0.000 1.040 96 V CB -0.390 31.513 31.823 0.133 0.000 0.671 96 V HN 0.372 nan 8.190 nan 0.000 0.455 97 Q N -0.195 119.661 119.800 0.093 0.000 2.124 97 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 97 Q C 2.280 178.309 176.000 0.049 0.000 0.977 97 Q CA 1.901 57.743 55.803 0.065 0.000 0.850 97 Q CB -0.067 28.694 28.738 0.038 0.000 0.901 97 Q HN 0.691 nan 8.270 nan 0.000 0.429 98 E N 0.000 120.230 120.200 0.051 0.000 2.072 98 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 98 E C 1.927 178.556 176.600 0.048 0.000 0.985 98 E CA 0.734 57.156 56.400 0.036 0.000 0.801 98 E CB -0.043 29.676 29.700 0.032 0.000 0.750 98 E HN 0.196 nan 8.360 nan 0.000 0.452 99 L N 0.997 122.279 121.223 0.098 0.000 2.046 99 L HA -0.137 4.202 4.340 -0.000 0.000 0.208 99 L C 2.215 179.193 176.870 0.180 0.000 1.077 99 L CA 1.854 56.790 54.840 0.161 0.000 0.747 99 L CB -0.440 41.742 42.059 0.205 0.000 0.896 99 L HN 0.037 nan 8.230 nan 0.000 0.432 100 A N -0.986 121.933 122.820 0.166 0.000 1.877 100 A HA -0.289 4.030 4.320 -0.000 0.000 0.216 100 A C 2.263 179.656 177.584 -0.318 0.000 1.186 100 A CA 1.799 53.695 52.037 -0.235 0.000 0.620 100 A CB -0.798 18.115 19.000 -0.146 0.000 0.822 100 A HN 0.566 nan 8.150 nan 0.000 0.443 101 Q N 0.840 120.548 119.800 -0.154 0.000 2.096 101 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 101 Q C 2.228 178.160 176.000 -0.113 0.000 0.982 101 Q CA 2.855 58.580 55.803 -0.129 0.000 0.850 101 Q CB -0.505 28.202 28.738 -0.052 0.000 0.901 101 Q HN 0.729 nan 8.270 nan 0.000 0.422 102 S N -1.806 113.853 115.700 -0.068 0.000 2.436 102 S HA 0.035 4.505 4.470 -0.000 0.000 0.228 102 S C 1.947 176.513 174.600 -0.057 0.000 1.014 102 S CA 0.902 59.076 58.200 -0.044 0.000 0.950 102 S CB -0.165 63.030 63.200 -0.008 0.000 0.784 102 S HN 0.295 nan 8.310 nan 0.000 0.504 103 S N 1.226 116.874 115.700 -0.086 0.000 2.421 103 S HA 0.381 4.851 4.470 -0.000 0.000 0.224 103 S C 1.521 176.008 174.600 -0.187 0.000 1.035 103 S CA 0.556 58.702 58.200 -0.089 0.000 0.953 103 S CB -0.161 63.031 63.200 -0.014 0.000 0.810 103 S HN 0.469 nan 8.310 nan 0.000 0.497 104 L N -0.051 120.968 121.223 -0.339 0.000 2.701 104 L HA 0.364 4.703 4.340 -0.000 0.000 0.238 104 L C 1.475 178.170 176.870 -0.291 0.000 1.106 104 L CA 0.302 54.898 54.840 -0.407 0.000 0.898 104 L CB -0.075 41.511 42.059 -0.788 0.000 1.188 104 L HN 0.435 nan 8.230 nan 0.000 0.508 105 G N 1.334 109.988 108.800 -0.242 0.000 2.160 105 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.251 105 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.251 105 G C 0.017 174.884 174.900 -0.054 0.000 1.008 105 G CA 0.879 45.908 45.100 -0.119 0.000 0.724 105 G HN 0.714 nan 8.290 nan 0.000 0.514 106 H N -3.340 115.678 119.070 -0.087 0.000 3.017 106 H HA 0.809 5.365 4.556 -0.000 0.000 0.346 106 H C -0.197 175.113 175.328 -0.029 0.000 1.286 106 H CA -0.291 55.729 56.048 -0.047 0.000 1.120 106 H CB 0.725 30.464 29.762 -0.039 0.000 1.860 106 H HN 0.168 nan 8.280 nan 0.000 0.542 107 T N 0.667 115.304 114.554 0.139 0.000 2.788 107 T HA 0.499 4.849 4.350 -0.000 0.000 0.280 107 T C -0.272 174.551 174.700 0.206 0.000 0.984 107 T CA -0.666 61.494 62.100 0.099 0.000 0.972 107 T CB 0.243 69.152 68.868 0.068 0.000 1.039 107 T HN 0.437 nan 8.240 nan 0.000 0.530 108 L N 2.883 124.148 121.223 0.070 0.000 2.342 108 L HA 0.483 4.822 4.340 -0.000 0.000 0.271 108 L C -2.103 174.678 176.870 -0.148 0.000 1.008 108 L CA -2.397 52.401 54.840 -0.069 0.000 0.818 108 L CB 1.978 44.022 42.059 -0.026 0.000 1.296 108 L HN 0.489 nan 8.230 nan 0.000 0.427 109 P HA 0.042 nan 4.420 nan 0.000 0.268 109 P C 0.061 177.292 177.300 -0.115 0.000 1.204 109 P CA -0.126 62.861 63.100 -0.189 0.000 0.768 109 P CB 0.770 32.326 31.700 -0.239 0.000 0.842 110 E N 2.921 123.085 120.200 -0.060 0.000 2.130 110 E HA -0.243 4.106 4.350 -0.000 0.000 0.196 110 E C 1.572 178.154 176.600 -0.029 0.000 0.998 110 E CA 1.749 58.128 56.400 -0.035 0.000 0.806 110 E CB -0.144 29.542 29.700 -0.023 0.000 0.738 110 E HN 0.719 nan 8.360 nan 0.000 0.459 111 E N 0.892 121.073 120.200 -0.032 0.000 2.204 111 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 111 E C 2.140 178.739 176.600 -0.002 0.000 0.989 111 E CA 0.599 56.991 56.400 -0.012 0.000 0.824 111 E CB -0.407 29.290 29.700 -0.005 0.000 0.756 111 E HN 0.228 nan 8.360 nan 0.000 0.477 112 L N 0.562 121.769 121.223 -0.027 0.000 2.465 112 L HA -0.013 4.327 4.340 -0.000 0.000 0.224 112 L C 1.900 178.795 176.870 0.042 0.000 1.145 112 L CA 0.540 55.381 54.840 0.001 0.000 0.834 112 L CB -0.026 42.001 42.059 -0.054 0.000 0.944 112 L HN 0.255 nan 8.230 nan 0.000 0.451 113 L N -0.978 120.262 121.223 0.029 0.000 2.640 113 L HA 0.098 4.437 4.340 -0.000 0.000 0.230 113 L C 0.342 177.234 176.870 0.037 0.000 1.123 113 L CA -0.057 54.814 54.840 0.052 0.000 0.900 113 L CB 0.044 42.118 42.059 0.024 0.000 1.146 113 L HN 0.022 nan 8.230 nan 0.000 0.484 114 K N 1.495 121.917 120.400 0.036 0.000 2.262 114 K HA 0.132 4.452 4.320 -0.000 0.000 0.288 114 K C -0.593 176.054 176.600 0.079 0.000 1.090 114 K CA -0.426 55.885 56.287 0.040 0.000 0.918 114 K CB 0.374 32.894 32.500 0.032 0.000 1.139 114 K HN -0.057 nan 8.250 nan 0.000 0.462 115 D N 2.319 122.779 120.400 0.099 0.000 2.449 115 D HA -0.067 4.573 4.640 -0.000 0.000 0.236 115 D C 0.207 176.565 176.300 0.097 0.000 1.149 115 D CA 0.173 54.236 54.000 0.105 0.000 0.878 115 D CB 0.450 41.297 40.800 0.078 0.000 1.198 115 D HN 0.534 nan 8.370 nan 0.000 0.446 116 N N 0.306 119.060 118.700 0.092 0.000 2.518 116 N HA 0.056 4.796 4.740 -0.000 0.000 0.283 116 N C 0.658 176.262 175.510 0.157 0.000 1.119 116 N CA -0.783 52.343 53.050 0.126 0.000 0.983 116 N CB 0.724 39.279 38.487 0.113 0.000 1.139 116 N HN 0.478 nan 8.380 nan 0.000 0.465 117 W N 2.837 124.137 121.300 -0.001 0.000 2.305 117 W HA -0.166 4.494 4.660 -0.000 0.000 0.308 117 W C 1.158 177.670 176.519 -0.012 0.000 1.226 117 W CA 1.427 58.768 57.345 -0.007 0.000 1.253 117 W CB -0.150 29.309 29.460 -0.002 0.000 1.146 117 W HN 0.655 nan 8.180 nan 0.000 0.507 118 I N -0.743 119.888 120.570 0.102 0.000 2.364 118 I HA -0.184 3.986 4.170 -0.000 0.000 0.241 118 I C 2.374 178.458 176.117 -0.054 0.000 1.082 118 I CA 1.575 62.857 61.300 -0.031 0.000 1.401 118 I CB -0.766 37.269 38.000 0.058 0.000 1.126 118 I HN -0.058 nan 8.210 nan 0.000 0.429 119 S N 0.087 115.784 115.700 -0.005 0.000 2.577 119 S HA 0.399 4.869 4.470 -0.000 0.000 0.219 119 S C 1.073 175.651 174.600 -0.036 0.000 0.962 119 S CA 0.141 58.333 58.200 -0.015 0.000 0.921 119 S CB -0.043 63.167 63.200 0.018 0.000 0.789 119 S HN 0.638 nan 8.310 nan 0.000 0.497 120 G N 2.088 110.849 108.800 -0.064 0.000 2.528 120 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.262 120 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.262 120 G C -0.429 174.423 174.900 -0.081 0.000 1.200 120 G CA -0.081 44.929 45.100 -0.150 0.000 0.951 120 G HN 0.645 nan 8.290 nan 0.000 0.566 121 H N 1.068 120.161 119.070 0.039 0.000 3.038 121 H HA 0.099 4.655 4.556 -0.000 0.000 0.338 121 H C 1.045 176.411 175.328 0.063 0.000 1.041 121 H CA 0.681 56.765 56.048 0.060 0.000 1.394 121 H CB 0.315 30.088 29.762 0.018 0.000 1.357 121 H HN 0.491 nan 8.280 nan 0.000 0.600 122 N N 3.512 122.337 118.700 0.209 0.000 3.178 122 N HA -0.006 4.734 4.740 -0.000 0.000 0.300 122 N C 1.055 176.663 175.510 0.163 0.000 1.242 122 N CA -0.034 53.109 53.050 0.156 0.000 1.192 122 N CB -0.601 37.966 38.487 0.133 0.000 1.463 122 N HN 0.487 nan 8.380 nan 0.000 0.539 123 L N 0.656 121.971 121.223 0.154 0.000 2.093 123 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 123 L C 2.035 179.018 176.870 0.188 0.000 1.085 123 L CA 1.031 55.958 54.840 0.145 0.000 0.755 123 L CB -0.097 42.019 42.059 0.095 0.000 0.904 123 L HN 0.318 nan 8.230 nan 0.000 0.435 124 K N 0.050 120.547 120.400 0.162 0.000 2.103 124 K HA -0.057 4.262 4.320 -0.000 0.000 0.204 124 K C 2.185 178.938 176.600 0.255 0.000 1.052 124 K CA 1.172 57.575 56.287 0.192 0.000 0.945 124 K CB -0.392 32.187 32.500 0.131 0.000 0.722 124 K HN 0.347 nan 8.250 nan 0.000 0.443 125 G N 1.370 110.294 108.800 0.207 0.000 2.402 125 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.216 125 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.216 125 G C 1.515 176.555 174.900 0.234 0.000 1.162 125 G CA 0.537 45.758 45.100 0.201 0.000 0.777 125 G HN 0.104 nan 8.290 nan 0.000 0.539 126 I N -0.299 120.416 120.570 0.241 0.000 2.202 126 I HA -0.087 4.082 4.170 -0.000 0.000 0.242 126 I C 2.400 178.719 176.117 0.335 0.000 1.091 126 I CA 0.885 62.356 61.300 0.285 0.000 1.368 126 I CB -0.290 37.877 38.000 0.279 0.000 1.058 126 I HN 0.180 nan 8.210 nan 0.000 0.410 127 F N 1.955 122.025 119.950 0.199 0.000 2.043 127 F HA -0.237 4.290 4.527 -0.000 0.000 0.297 127 F C 2.371 178.264 175.800 0.155 0.000 1.121 127 F CA 1.966 60.072 58.000 0.177 0.000 1.199 127 F CB -1.069 38.014 39.000 0.139 0.000 0.968 127 F HN 0.030 nan 8.300 nan 0.000 0.478 128 G N -1.117 107.746 108.800 0.105 0.000 2.529 128 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.219 128 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.219 128 G C 1.623 176.496 174.900 -0.044 0.000 1.177 128 G CA 1.197 46.289 45.100 -0.014 0.000 0.773 128 G HN 0.550 nan 8.290 nan 0.000 0.573 129 Y N 1.900 122.182 120.300 -0.031 0.000 2.097 129 Y HA -0.098 4.452 4.550 -0.000 0.000 0.282 129 Y C 3.029 178.851 175.900 -0.130 0.000 1.152 129 Y CA 2.069 60.136 58.100 -0.055 0.000 1.136 129 Y CB -0.443 38.023 38.460 0.011 0.000 0.975 129 Y HN 0.257 nan 8.280 nan 0.000 0.498 130 A N -1.202 121.649 122.820 0.051 0.000 1.972 130 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 130 A C 2.188 179.601 177.584 -0.285 0.000 1.169 130 A CA 2.128 54.141 52.037 -0.040 0.000 0.635 130 A CB -1.187 17.866 19.000 0.088 0.000 0.810 130 A HN 0.529 nan 8.150 nan 0.000 0.446 131 T N 0.027 114.363 114.554 -0.363 0.000 2.857 131 T HA 0.076 4.426 4.350 -0.000 0.000 0.266 131 T C 2.243 176.703 174.700 -0.400 0.000 1.048 131 T CA 1.285 63.142 62.100 -0.405 0.000 1.139 131 T CB -0.342 68.217 68.868 -0.515 0.000 0.874 131 T HN 0.574 nan 8.240 nan 0.000 0.455 132 A N 2.039 124.630 122.820 -0.381 0.000 1.902 132 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 132 A C 2.295 179.590 177.584 -0.482 0.000 1.181 132 A CA 1.199 53.006 52.037 -0.384 0.000 0.623 132 A CB -0.306 18.493 19.000 -0.335 0.000 0.818 132 A HN 0.228 nan 8.150 nan 0.000 0.443 133 K N -0.056 119.973 120.400 -0.618 0.000 2.097 133 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 133 K C 2.251 178.544 176.600 -0.513 0.000 1.049 133 K CA 1.262 57.168 56.287 -0.635 0.000 0.933 133 K CB -0.705 31.210 32.500 -0.974 0.000 0.717 133 K HN 0.461 nan 8.250 nan 0.000 0.442 134 A N 1.502 123.972 122.820 -0.583 0.000 1.940 134 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 134 A C 2.187 179.335 177.584 -0.728 0.000 1.176 134 A CA 1.233 52.819 52.037 -0.751 0.000 0.631 134 A CB -0.486 17.774 19.000 -1.234 0.000 0.814 134 A HN 0.211 nan 8.150 nan 0.000 0.446 135 L N -0.295 120.554 121.223 -0.624 0.000 2.027 135 L HA -0.085 4.254 4.340 -0.000 0.000 0.206 135 L C 2.495 179.172 176.870 -0.322 0.000 1.074 135 L CA 2.807 57.436 54.840 -0.350 0.000 0.745 135 L CB -1.258 40.556 42.059 -0.409 0.000 0.898 135 L HN 0.381 nan 8.230 nan 0.000 0.433 136 T N 0.207 114.570 114.554 -0.318 0.000 2.635 136 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 136 T C 1.898 176.486 174.700 -0.186 0.000 1.040 136 T CA 1.810 63.769 62.100 -0.235 0.000 1.156 136 T CB -0.757 67.968 68.868 -0.239 0.000 0.863 136 T HN 0.532 nan 8.240 nan 0.000 0.430 137 A N 1.356 124.052 122.820 -0.207 0.000 1.908 137 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 137 A C 2.630 180.167 177.584 -0.077 0.000 1.181 137 A CA 2.057 54.008 52.037 -0.142 0.000 0.627 137 A CB -1.104 17.808 19.000 -0.147 0.000 0.818 137 A HN 0.546 nan 8.150 nan 0.000 0.445 138 A N -0.479 122.309 122.820 -0.053 0.000 1.897 138 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 138 A C 2.426 180.097 177.584 0.145 0.000 1.181 138 A CA 2.352 54.458 52.037 0.114 0.000 0.620 138 A CB -1.256 17.837 19.000 0.154 0.000 0.821 138 A HN 0.753 nan 8.150 nan 0.000 0.443 139 T N -2.301 112.253 114.554 -0.001 0.000 2.904 139 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 139 T C 1.601 176.309 174.700 0.014 0.000 1.059 139 T CA 1.373 63.474 62.100 0.002 0.000 1.137 139 T CB -0.261 68.545 68.868 -0.102 0.000 0.879 139 T HN 0.584 nan 8.240 nan 0.000 0.467 140 E N 1.068 121.249 120.200 -0.032 0.000 2.028 140 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 140 E C 2.453 179.004 176.600 -0.082 0.000 0.988 140 E CA 1.103 57.474 56.400 -0.048 0.000 0.799 140 E CB -0.213 29.447 29.700 -0.066 0.000 0.755 140 E HN 0.638 nan 8.360 nan 0.000 0.447 141 Q N -0.010 119.708 119.800 -0.136 0.000 2.112 141 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 141 Q C 1.041 176.752 176.000 -0.483 0.000 0.987 141 Q CA 1.570 57.167 55.803 -0.344 0.000 0.858 141 Q CB -0.032 28.417 28.738 -0.481 0.000 0.905 141 Q HN 0.236 nan 8.270 nan 0.000 0.420 142 F N 0.197 120.140 119.950 -0.011 0.000 2.639 142 F HA 0.264 4.791 4.527 -0.000 0.000 0.300 142 F C 0.584 176.383 175.800 -0.002 0.000 1.109 142 F CA -0.485 57.514 58.000 -0.002 0.000 1.335 142 F CB 0.660 39.666 39.000 0.009 0.000 1.014 142 F HN -0.115 nan 8.300 nan 0.000 0.537 143 S N 1.488 117.236 115.700 0.079 0.000 2.549 143 S HA 0.612 5.082 4.470 -0.000 0.000 0.286 143 S C 0.392 175.018 174.600 0.044 0.000 1.314 143 S CA -0.195 58.040 58.200 0.058 0.000 1.062 143 S CB 0.351 63.566 63.200 0.025 0.000 0.865 143 S HN 0.489 nan 8.310 nan 0.000 0.498 152 D N 0.447 120.830 120.400 -0.028 0.000 2.117 152 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 152 D C 2.348 178.620 176.300 -0.046 0.000 0.982 152 D CA 2.303 56.278 54.000 -0.042 0.000 0.828 152 D CB 0.070 40.844 40.800 -0.044 0.000 0.967 152 D HN 0.447 nan 8.370 nan 0.000 0.464 153 S N 0.702 116.384 115.700 -0.030 0.000 2.420 153 S HA -0.360 4.110 4.470 -0.000 0.000 0.278 153 S C 2.105 176.694 174.600 -0.020 0.000 1.111 153 S CA 3.166 61.354 58.200 -0.018 0.000 1.315 153 S CB -0.719 62.480 63.200 -0.002 0.000 1.226 153 S HN 0.323 nan 8.310 nan 0.000 0.444 154 A N -0.121 122.694 122.820 -0.009 0.000 1.968 154 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 154 A C 2.473 180.043 177.584 -0.024 0.000 1.169 154 A CA 1.913 53.949 52.037 -0.002 0.000 0.638 154 A CB -1.182 17.821 19.000 0.006 0.000 0.812 154 A HN 0.681 nan 8.150 nan 0.000 0.446 155 S N -0.489 115.190 115.700 -0.034 0.000 2.383 155 S HA 0.018 4.488 4.470 -0.000 0.000 0.227 155 S C 2.156 176.719 174.600 -0.061 0.000 1.026 155 S CA 1.384 59.563 58.200 -0.036 0.000 0.981 155 S CB -0.359 62.817 63.200 -0.041 0.000 0.818 155 S HN 0.740 nan 8.310 nan 0.000 0.472 156 A N 1.319 124.064 122.820 -0.125 0.000 1.872 156 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 156 A C 2.024 179.299 177.584 -0.514 0.000 1.187 156 A CA 1.289 53.164 52.037 -0.270 0.000 0.614 156 A CB -0.695 18.148 19.000 -0.261 0.000 0.826 156 A HN 0.603 nan 8.150 nan 0.000 0.442 157 I N -0.094 120.286 120.570 -0.316 0.000 2.286 157 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 157 I C 2.649 178.713 176.117 -0.090 0.000 1.115 157 I CA 1.017 62.196 61.300 -0.200 0.000 1.392 157 I CB -0.645 37.367 38.000 0.020 0.000 1.065 157 I HN 0.367 nan 8.210 nan 0.000 0.418 158 G N 0.833 109.604 108.800 -0.049 0.000 2.418 158 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 158 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 158 G C 1.611 176.545 174.900 0.057 0.000 1.158 158 G CA 0.479 45.582 45.100 0.005 0.000 0.771 158 G HN 0.316 nan 8.290 nan 0.000 0.545 159 F N 1.086 120.995 119.950 -0.069 0.000 2.126 159 F HA 0.016 4.543 4.527 -0.000 0.000 0.299 159 F C 2.386 178.308 175.800 0.202 0.000 1.096 159 F CA 1.166 59.180 58.000 0.024 0.000 1.255 159 F CB -0.378 38.622 39.000 0.001 0.000 0.997 159 F HN 0.192 nan 8.300 nan 0.000 0.479 160 F N -0.172 119.806 119.950 0.046 0.000 2.069 160 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 160 F C 2.383 178.081 175.800 -0.170 0.000 1.113 160 F CA 0.902 58.889 58.000 -0.022 0.000 1.214 160 F CB -0.733 38.306 39.000 0.065 0.000 0.978 160 F HN -0.047 nan 8.300 nan 0.000 0.474 161 L N 0.060 121.334 121.223 0.085 0.000 1.971 161 L HA -0.293 4.047 4.340 -0.000 0.000 0.215 161 L C 2.051 178.838 176.870 -0.138 0.000 1.072 161 L CA 1.392 56.209 54.840 -0.038 0.000 0.758 161 L CB -0.774 41.268 42.059 -0.028 0.000 0.889 161 L HN 0.093 nan 8.230 nan 0.000 0.433 162 D N -0.583 119.739 120.400 -0.130 0.000 2.190 162 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 162 D C 2.049 178.193 176.300 -0.261 0.000 0.992 162 D CA 1.232 55.139 54.000 -0.155 0.000 0.854 162 D CB -0.311 40.439 40.800 -0.083 0.000 0.936 162 D HN 0.397 nan 8.370 nan 0.000 0.462 163 C N -0.736 118.319 119.300 -0.409 0.000 2.562 163 C HA 0.393 4.853 4.460 -0.000 0.000 0.266 163 C C 1.756 176.192 174.990 -0.924 0.000 1.382 163 C CA 0.421 59.110 59.018 -0.548 0.000 1.742 163 C CB -0.747 26.703 27.740 -0.484 0.000 1.812 163 C HN 0.556 nan 8.230 nan 0.000 0.559 164 G N 0.052 108.405 108.800 -0.745 0.000 2.131 164 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.201 164 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.201 164 G C -0.247 174.225 174.900 -0.714 0.000 1.000 164 G CA -0.452 44.240 45.100 -0.681 0.000 0.680 164 G HN 0.495 nan 8.290 nan 0.000 0.514 165 F N 0.679 120.500 119.950 -0.215 0.000 2.507 165 F HA 0.543 5.070 4.527 -0.000 0.000 0.325 165 F C 1.390 177.063 175.800 -0.211 0.000 1.116 165 F CA -0.797 57.012 58.000 -0.318 0.000 0.930 165 F CB 1.222 39.909 39.000 -0.521 0.000 1.146 165 F HN 0.225 nan 8.300 nan 0.000 0.447 166 H N 0.908 119.980 119.070 0.005 0.000 2.586 166 H HA 0.701 5.257 4.556 -0.000 0.000 0.273 166 H C -0.321 174.929 175.328 -0.130 0.000 0.997 166 H CA 0.153 56.146 56.048 -0.091 0.000 1.177 166 H CB 0.467 30.152 29.762 -0.129 0.000 1.471 166 H HN 0.553 nan 8.280 nan 0.000 0.538 167 A N 0.843 123.494 122.820 -0.282 0.000 2.589 167 A HA 0.524 4.844 4.320 -0.000 0.000 0.296 167 A C -1.585 175.609 177.584 -0.650 0.000 1.062 167 A CA -0.580 51.249 52.037 -0.346 0.000 0.686 167 A CB 2.135 20.913 19.000 -0.369 0.000 1.282 167 A HN 0.082 nan 8.150 nan 0.000 0.404 168 V N 2.465 121.985 119.914 -0.656 0.000 2.409 168 V HA 0.483 4.603 4.120 -0.000 0.000 0.290 168 V C -1.268 174.578 176.094 -0.413 0.000 1.017 168 V CA -0.382 61.500 62.300 -0.698 0.000 0.841 168 V CB 1.537 32.775 31.823 -0.975 0.000 1.003 168 V HN 0.880 nan 8.190 nan 0.000 0.426 169 D N 5.382 125.614 120.400 -0.280 0.000 2.481 169 D HA 0.534 5.174 4.640 -0.000 0.000 0.246 169 D C -0.815 175.436 176.300 -0.082 0.000 1.109 169 D CA -0.221 53.766 54.000 -0.021 0.000 0.845 169 D CB 1.462 42.360 40.800 0.164 0.000 1.160 169 D HN 0.433 nan 8.370 nan 0.000 0.534 170 I N 2.067 122.613 120.570 -0.040 0.000 2.406 170 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 170 I C -0.129 175.974 176.117 -0.024 0.000 0.999 170 I CA -0.720 60.552 61.300 -0.047 0.000 1.124 170 I CB 2.050 40.048 38.000 -0.003 0.000 1.289 170 I HN 0.146 nan 8.210 nan 0.000 0.441 171 S N 7.559 123.230 115.700 -0.048 0.000 2.622 171 S HA 0.436 4.906 4.470 -0.000 0.000 0.283 171 S C -2.419 172.267 174.600 0.142 0.000 1.197 171 S CA -1.168 57.070 58.200 0.063 0.000 1.146 171 S CB 1.015 64.231 63.200 0.028 0.000 1.007 171 S HN 0.405 nan 8.310 nan 0.000 0.478 172 P HA 0.326 nan 4.420 nan 0.000 0.281 172 P C 0.074 177.476 177.300 0.171 0.000 1.281 172 P CA -0.774 62.411 63.100 0.141 0.000 0.811 172 P CB 0.621 32.368 31.700 0.079 0.000 1.154 173 C N 0.459 119.875 119.300 0.193 0.000 2.679 173 C HA 0.333 4.793 4.460 -0.000 0.000 0.417 173 C C 2.277 177.280 174.990 0.021 0.000 1.302 173 C CA 0.514 59.644 59.018 0.186 0.000 1.973 173 C CB -1.115 26.835 27.740 0.349 0.000 2.715 173 C HN 0.697 nan 8.230 nan 0.000 0.628 174 A N 3.023 125.794 122.820 -0.082 0.000 2.125 174 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 174 A C 1.152 178.489 177.584 -0.411 0.000 1.156 174 A CA 0.948 52.729 52.037 -0.427 0.000 0.671 174 A CB -0.596 17.939 19.000 -0.774 0.000 0.794 174 A HN 0.988 nan 8.150 nan 0.000 0.459 175 D N 0.198 120.565 120.400 -0.056 0.000 2.658 175 D HA 0.028 4.668 4.640 -0.000 0.000 0.230 175 D C 1.497 177.771 176.300 -0.044 0.000 1.118 175 D CA 0.936 54.989 54.000 0.090 0.000 0.848 175 D CB 0.742 41.493 40.800 -0.081 0.000 1.160 175 D HN 0.156 nan 8.370 nan 0.000 0.497 176 G N 4.738 113.583 108.800 0.075 0.000 2.485 176 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.221 176 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.221 176 G C 1.428 176.225 174.900 -0.173 0.000 1.115 176 G CA 0.687 45.764 45.100 -0.038 0.000 0.751 176 G HN 0.684 nan 8.290 nan 0.000 0.567 177 R N 0.164 120.511 120.500 -0.255 0.000 2.323 177 R HA 0.230 4.570 4.340 -0.000 0.000 0.198 177 R C 1.348 177.474 176.300 -0.290 0.000 0.988 177 R CA 0.290 56.198 56.100 -0.321 0.000 1.041 177 R CB -0.334 29.737 30.300 -0.382 0.000 0.926 177 R HN 0.384 nan 8.270 nan 0.000 0.476 178 L N 0.475 121.550 121.223 -0.246 0.000 2.640 178 L HA 0.195 4.535 4.340 -0.000 0.000 0.230 178 L C 1.813 178.619 176.870 -0.107 0.000 1.123 178 L CA -0.105 54.633 54.840 -0.170 0.000 0.900 178 L CB 0.162 42.136 42.059 -0.141 0.000 1.146 178 L HN -0.005 nan 8.230 nan 0.000 0.484 179 K N 1.381 121.706 120.400 -0.124 0.000 2.209 179 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 179 K C 1.721 178.277 176.600 -0.074 0.000 1.048 179 K CA 1.292 57.526 56.287 -0.089 0.000 0.940 179 K CB -0.303 32.124 32.500 -0.123 0.000 0.729 179 K HN 0.204 nan 8.250 nan 0.000 0.451 180 G N 0.073 108.806 108.800 -0.111 0.000 3.088 180 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.212 180 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.212 180 G C 1.102 176.036 174.900 0.057 0.000 1.173 180 G CA 0.137 45.216 45.100 -0.035 0.000 0.779 180 G HN 0.280 nan 8.290 nan 0.000 0.540 181 L N -0.006 121.217 121.223 -0.000 0.000 2.010 181 L HA -0.170 4.170 4.340 -0.000 0.000 0.219 181 L C 2.487 179.374 176.870 0.027 0.000 1.077 181 L CA 1.878 56.722 54.840 0.006 0.000 0.773 181 L CB -0.269 41.790 42.059 -0.001 0.000 0.892 181 L HN 0.203 nan 8.230 nan 0.000 0.436 182 L N -0.841 120.403 121.223 0.035 0.000 2.034 182 L HA -0.010 4.329 4.340 -0.000 0.000 0.203 182 L C -0.471 176.398 176.870 -0.002 0.000 1.074 182 L CA 1.927 56.782 54.840 0.025 0.000 0.748 182 L CB -2.024 40.053 42.059 0.030 0.000 0.905 182 L HN 0.236 nan 8.230 nan 0.000 0.439 183 P HA -0.054 nan 4.420 nan 0.000 0.227 183 P C 0.762 177.891 177.300 -0.286 0.000 1.161 183 P CA 1.321 64.329 63.100 -0.154 0.000 0.788 183 P CB 0.110 31.685 31.700 -0.209 0.000 0.822 184 Y N -1.112 119.102 120.300 -0.143 0.000 2.331 184 Y HA 0.192 4.742 4.550 -0.000 0.000 0.282 184 Y C 2.399 178.207 175.900 -0.154 0.000 1.140 184 Y CA 0.452 58.429 58.100 -0.205 0.000 1.198 184 Y CB -0.965 37.334 38.460 -0.267 0.000 1.159 184 Y HN -0.302 nan 8.280 nan 0.000 0.512 185 I N -0.071 120.537 120.570 0.064 0.000 2.252 185 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 185 I C 1.572 177.678 176.117 -0.019 0.000 1.102 185 I CA 1.640 62.944 61.300 0.006 0.000 1.385 185 I CB -0.255 37.738 38.000 -0.012 0.000 1.064 185 I HN 0.236 nan 8.210 nan 0.000 0.414 186 L N -0.503 120.707 121.223 -0.022 0.000 2.609 186 L HA 0.200 4.540 4.340 -0.000 0.000 0.230 186 L C 0.384 177.223 176.870 -0.052 0.000 1.087 186 L CA -0.121 54.697 54.840 -0.037 0.000 0.874 186 L CB 0.109 42.157 42.059 -0.018 0.000 1.114 186 L HN 0.148 nan 8.230 nan 0.000 0.488 187 R N 0.789 121.253 120.500 -0.060 0.000 3.416 187 R HA -0.173 4.166 4.340 -0.000 0.000 0.263 187 R C -0.621 175.647 176.300 -0.054 0.000 1.053 187 R CA 0.330 56.380 56.100 -0.084 0.000 0.705 187 R CB -2.299 27.939 30.300 -0.102 0.000 1.124 187 R HN 0.121 nan 8.270 nan 0.000 0.444 188 L N 2.421 123.640 121.223 -0.007 0.000 2.276 188 L HA 0.414 4.754 4.340 -0.000 0.000 0.286 188 L C -1.377 175.524 176.870 0.051 0.000 1.061 188 L CA -1.981 52.900 54.840 0.067 0.000 0.807 188 L CB 0.923 43.064 42.059 0.136 0.000 1.177 188 L HN 0.003 nan 8.230 nan 0.000 0.429 189 P HA 0.132 nan 4.420 nan 0.000 0.274 189 P C -0.842 176.482 177.300 0.040 0.000 1.231 189 P CA -0.685 62.418 63.100 0.004 0.000 0.790 189 P CB 0.749 32.426 31.700 -0.040 0.000 0.951 190 L N 2.232 123.465 121.223 0.017 0.000 2.360 190 L HA 0.360 4.699 4.340 -0.000 0.000 0.276 190 L C 1.332 178.210 176.870 0.013 0.000 1.121 190 L CA 0.884 55.737 54.840 0.023 0.000 0.845 190 L CB -0.325 41.742 42.059 0.014 0.000 1.143 190 L HN 0.621 nan 8.230 nan 0.000 0.452 191 T N -0.749 113.818 114.554 0.021 0.000 2.841 191 T HA 0.661 5.011 4.350 -0.000 0.000 0.296 191 T C 0.805 175.457 174.700 -0.079 0.000 1.166 191 T CA -0.218 61.885 62.100 0.006 0.000 1.007 191 T CB 1.362 70.279 68.868 0.081 0.000 1.253 191 T HN 0.444 nan 8.240 nan 0.000 0.511 192 A N -0.048 122.660 122.820 -0.187 0.000 2.178 192 A HA 0.230 4.549 4.320 -0.000 0.000 0.218 192 A C 0.962 178.085 177.584 -0.768 0.000 1.157 192 A CA 0.851 52.602 52.037 -0.478 0.000 0.689 192 A CB -1.003 17.581 19.000 -0.693 0.000 0.787 192 A HN 0.742 nan 8.150 nan 0.000 0.465 193 F N -0.873 119.003 119.950 -0.123 0.000 2.735 193 F HA 0.205 4.732 4.527 -0.000 0.000 0.308 193 F C 0.174 175.589 175.800 -0.641 0.000 1.112 193 F CA -0.123 57.678 58.000 -0.332 0.000 1.235 193 F CB 0.614 39.601 39.000 -0.021 0.000 1.027 193 F HN -0.150 nan 8.300 nan 0.000 0.528 194 T N 0.683 114.971 114.554 -0.445 0.000 2.788 194 T HA 0.424 4.774 4.350 -0.000 0.000 0.296 194 T C -0.805 173.641 174.700 -0.423 0.000 1.009 194 T CA -0.253 61.654 62.100 -0.321 0.000 0.949 194 T CB 0.402 69.309 68.868 0.065 0.000 0.946 194 T HN -0.010 nan 8.240 nan 0.000 0.453 195 Y N 2.515 122.815 120.300 -0.001 0.000 2.487 195 Y HA 0.736 5.286 4.550 -0.000 0.000 0.337 195 Y C 0.705 176.594 175.900 -0.019 0.000 1.076 195 Y CA -1.573 56.520 58.100 -0.011 0.000 1.115 195 Y CB 1.403 39.854 38.460 -0.016 0.000 1.235 195 Y HN 0.376 nan 8.280 nan 0.000 0.468 196 R N 1.479 122.074 120.500 0.159 0.000 2.518 196 R HA 0.476 4.815 4.340 -0.000 0.000 0.296 196 R C -2.135 174.257 176.300 0.153 0.000 1.080 196 R CA -1.142 55.027 56.100 0.116 0.000 0.922 196 R CB 0.953 31.308 30.300 0.090 0.000 1.184 196 R HN 0.762 nan 8.270 nan 0.000 0.445 197 K N 2.372 122.832 120.400 0.101 0.000 2.640 197 K HA 0.570 4.890 4.320 -0.000 0.000 0.245 197 K C -1.068 175.554 176.600 0.035 0.000 0.962 197 K CA -0.479 55.806 56.287 -0.003 0.000 0.896 197 K CB 2.395 34.764 32.500 -0.218 0.000 1.147 197 K HN 0.778 nan 8.250 nan 0.000 0.445 198 A N 2.956 125.633 122.820 -0.238 0.000 2.306 198 A HA 0.728 5.047 4.320 -0.000 0.000 0.314 198 A C -1.313 175.916 177.584 -0.591 0.000 1.164 198 A CA -0.298 51.584 52.037 -0.258 0.000 0.822 198 A CB 0.331 19.195 19.000 -0.228 0.000 1.130 198 A HN 0.633 nan 8.150 nan 0.000 0.496 199 Y N -0.055 120.203 120.300 -0.070 0.000 2.504 199 Y HA 0.527 5.077 4.550 -0.000 0.000 0.344 199 Y C 0.513 176.423 175.900 0.018 0.000 1.023 199 Y CA -0.392 57.698 58.100 -0.016 0.000 1.020 199 Y CB 1.982 40.485 38.460 0.071 0.000 1.282 199 Y HN 0.917 nan 8.280 nan 0.000 0.454 200 A N 1.331 124.255 122.820 0.174 0.000 2.545 200 A HA 0.404 4.724 4.320 -0.000 0.000 0.253 200 A C 1.320 178.995 177.584 0.153 0.000 1.074 200 A CA 1.074 53.214 52.037 0.171 0.000 0.760 200 A CB -1.089 18.017 19.000 0.177 0.000 1.005 200 A HN 1.734 nan 8.150 nan 0.000 0.506 201 G N 1.691 110.584 108.800 0.156 0.000 2.148 201 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.254 201 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.254 201 G C 0.721 175.846 174.900 0.375 0.000 0.981 201 G CA 0.684 45.900 45.100 0.193 0.000 0.670 201 G HN 2.132 nan 8.290 nan 0.000 0.528 202 S N -1.809 114.077 115.700 0.310 0.000 3.382 202 S HA -0.217 4.253 4.470 -0.000 0.000 0.293 202 S C 0.887 175.642 174.600 0.258 0.000 1.262 202 S CA 1.491 59.885 58.200 0.323 0.000 0.969 202 S CB -1.070 62.321 63.200 0.318 0.000 1.136 202 S HN 0.764 nan 8.310 nan 0.000 0.635 203 M N 2.321 122.018 119.600 0.162 0.000 3.237 203 M HA 0.296 4.776 4.480 -0.000 0.000 0.266 203 M C 0.370 176.455 176.300 -0.358 0.000 1.456 203 M CA 0.005 55.260 55.300 -0.075 0.000 1.593 203 M CB -1.705 30.881 32.600 -0.024 0.000 1.129 203 M HN 0.376 nan 8.290 nan 0.000 0.547 204 F N -0.583 119.114 119.950 -0.422 0.000 2.440 204 F HA 0.367 4.894 4.527 -0.000 0.000 0.323 204 F C 0.487 175.837 175.800 -0.749 0.000 1.192 204 F CA -1.047 56.365 58.000 -0.979 0.000 1.252 204 F CB 0.240 38.950 39.000 -0.482 0.000 1.214 204 F HN 0.288 nan 8.300 nan 0.000 0.578 205 D N 2.052 122.107 120.400 -0.575 0.000 2.352 205 D HA 0.153 4.793 4.640 -0.000 0.000 0.245 205 D C 1.053 177.313 176.300 -0.067 0.000 1.224 205 D CA 0.096 53.962 54.000 -0.224 0.000 0.879 205 D CB 0.492 41.288 40.800 -0.007 0.000 1.057 205 D HN 0.669 nan 8.370 nan 0.000 0.491 206 I N 2.977 123.477 120.570 -0.117 0.000 2.252 206 I HA -0.211 3.958 4.170 -0.000 0.000 0.245 206 I C 2.142 178.297 176.117 0.064 0.000 1.102 206 I CA 0.740 62.026 61.300 -0.025 0.000 1.385 206 I CB 0.146 38.132 38.000 -0.023 0.000 1.064 206 I HN 0.385 nan 8.210 nan 0.000 0.414 207 E N 0.286 120.515 120.200 0.049 0.000 2.150 207 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 207 E C 1.560 178.216 176.600 0.093 0.000 0.985 207 E CA 1.323 57.771 56.400 0.079 0.000 0.814 207 E CB -0.295 29.438 29.700 0.054 0.000 0.752 207 E HN 0.497 nan 8.360 nan 0.000 0.466 208 D N 0.890 121.336 120.400 0.077 0.000 2.103 208 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 208 D C 1.358 177.701 176.300 0.071 0.000 0.978 208 D CA 0.962 55.020 54.000 0.097 0.000 0.829 208 D CB 0.084 40.972 40.800 0.147 0.000 0.981 208 D HN -0.063 nan 8.370 nan 0.000 0.464 209 D N -0.041 120.353 120.400 -0.011 0.000 2.149 209 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 209 D C 2.098 178.495 176.300 0.161 0.000 0.990 209 D CA 0.304 54.219 54.000 -0.143 0.000 0.839 209 D CB -0.255 40.086 40.800 -0.765 0.000 0.948 209 D HN 0.260 nan 8.370 nan 0.000 0.460 210 L N 0.299 121.707 121.223 0.308 0.000 2.046 210 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 210 L C 2.192 179.251 176.870 0.316 0.000 1.077 210 L CA 1.294 56.366 54.840 0.387 0.000 0.747 210 L CB -0.209 42.019 42.059 0.282 0.000 0.896 210 L HN 0.002 nan 8.230 nan 0.000 0.432 211 A N -0.863 122.086 122.820 0.215 0.000 1.930 211 A HA -0.281 4.038 4.320 -0.000 0.000 0.217 211 A C 2.082 179.759 177.584 0.156 0.000 1.175 211 A CA 1.710 53.853 52.037 0.177 0.000 0.627 211 A CB -0.474 18.601 19.000 0.124 0.000 0.815 211 A HN 0.495 nan 8.150 nan 0.000 0.443 212 Q N -1.210 118.669 119.800 0.132 0.000 2.050 212 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 212 Q C 1.749 177.839 176.000 0.151 0.000 0.980 212 Q CA 2.127 57.994 55.803 0.106 0.000 0.840 212 Q CB -0.556 28.215 28.738 0.055 0.000 0.898 212 Q HN 0.742 nan 8.270 nan 0.000 0.424 213 W N 1.253 122.485 121.300 -0.113 0.000 2.318 213 W HA -0.224 4.436 4.660 -0.000 0.000 0.313 213 W C 1.680 178.172 176.519 -0.045 0.000 1.221 213 W CA 2.290 59.474 57.345 -0.269 0.000 1.266 213 W CB -0.150 29.084 29.460 -0.375 0.000 1.150 213 W HN 0.272 nan 8.180 nan 0.000 0.496 214 E N -0.059 120.266 120.200 0.209 0.000 2.058 214 E HA -0.307 4.042 4.350 -0.000 0.000 0.194 214 E C 2.112 178.682 176.600 -0.051 0.000 0.997 214 E CA 1.776 58.208 56.400 0.053 0.000 0.801 214 E CB -0.434 29.406 29.700 0.234 0.000 0.746 214 E HN 0.272 nan 8.360 nan 0.000 0.450 215 K N 0.749 121.167 120.400 0.029 0.000 2.057 215 K HA -0.177 4.142 4.320 -0.000 0.000 0.207 215 K C 1.807 178.428 176.600 0.035 0.000 1.049 215 K CA 1.583 57.895 56.287 0.042 0.000 0.931 215 K CB 0.050 32.594 32.500 0.073 0.000 0.714 215 K HN -0.031 nan 8.250 nan 0.000 0.440 216 N N 0.840 119.574 118.700 0.057 0.000 2.120 216 N HA -0.169 4.570 4.740 -0.000 0.000 0.188 216 N C 1.561 177.009 175.510 -0.102 0.000 1.024 216 N CA 1.388 54.500 53.050 0.104 0.000 0.852 216 N CB -0.149 38.537 38.487 0.332 0.000 1.003 216 N HN 0.251 nan 8.380 nan 0.000 0.424 217 E N 0.185 120.192 120.200 -0.322 0.000 2.106 217 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 217 E C 1.714 178.250 176.600 -0.106 0.000 0.984 217 E CA 0.424 56.569 56.400 -0.424 0.000 0.806 217 E CB -0.281 28.891 29.700 -0.879 0.000 0.750 217 E HN 0.210 nan 8.360 nan 0.000 0.458 218 L N 0.860 122.048 121.223 -0.059 0.000 2.046 218 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 218 L C 2.340 179.247 176.870 0.061 0.000 1.077 218 L CA 1.858 56.725 54.840 0.044 0.000 0.747 218 L CB -0.448 41.619 42.059 0.013 0.000 0.896 218 L HN 0.049 nan 8.230 nan 0.000 0.432 219 R N -0.850 119.664 120.500 0.023 0.000 2.120 219 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 219 R C 2.384 178.673 176.300 -0.018 0.000 1.123 219 R CA 1.363 57.483 56.100 0.033 0.000 0.975 219 R CB -0.070 30.279 30.300 0.082 0.000 0.866 219 R HN 0.395 nan 8.270 nan 0.000 0.446 220 R N -1.129 119.306 120.500 -0.108 0.000 2.066 220 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 220 R C 2.118 178.300 176.300 -0.196 0.000 1.131 220 R CA 1.800 57.764 56.100 -0.226 0.000 0.955 220 R CB -0.456 29.593 30.300 -0.419 0.000 0.851 220 R HN 0.297 nan 8.270 nan 0.000 0.432 221 Y N 0.591 120.823 120.300 -0.114 0.000 2.145 221 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 221 Y C 2.588 178.458 175.900 -0.049 0.000 1.145 221 Y CA 1.527 59.581 58.100 -0.077 0.000 1.148 221 Y CB 0.029 38.446 38.460 -0.071 0.000 0.981 221 Y HN -0.018 nan 8.280 nan 0.000 0.507 222 R N -0.844 119.731 120.500 0.125 0.000 2.100 222 R HA -0.057 4.282 4.340 -0.000 0.000 0.220 222 R C 1.784 178.106 176.300 0.038 0.000 1.091 222 R CA 1.323 57.466 56.100 0.071 0.000 0.986 222 R CB 0.005 30.340 30.300 0.058 0.000 0.888 222 R HN 0.353 nan 8.270 nan 0.000 0.444 223 E N -0.708 119.505 120.200 0.023 0.000 2.485 223 E HA 0.071 4.421 4.350 -0.000 0.000 0.213 223 E C 0.173 176.766 176.600 -0.010 0.000 0.923 223 E CA 0.331 56.740 56.400 0.015 0.000 1.054 223 E CB 0.923 30.642 29.700 0.032 0.000 1.077 223 E HN 0.358 nan 8.360 nan 0.000 0.509 224 G N 1.590 110.364 108.800 -0.044 0.000 2.249 224 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.273 224 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.273 224 G C -0.160 174.692 174.900 -0.081 0.000 1.036 224 G CA 0.593 45.644 45.100 -0.082 0.000 0.824 224 G HN 0.160 nan 8.290 nan 0.000 0.504 225 V N 0.935 120.809 119.914 -0.067 0.000 2.448 225 V HA 0.483 4.602 4.120 -0.000 0.000 0.295 225 V C -0.664 175.321 176.094 -0.182 0.000 1.025 225 V CA -0.849 61.416 62.300 -0.059 0.000 0.859 225 V CB 2.170 34.044 31.823 0.084 0.000 0.988 225 V HN 0.128 nan 8.190 nan 0.000 0.431 226 P HA 0.051 nan 4.420 nan 0.000 0.245 226 P C -0.184 176.983 177.300 -0.222 0.000 1.206 226 P CA 0.647 63.507 63.100 -0.400 0.000 0.781 226 P CB 0.375 31.628 31.700 -0.746 0.000 0.994 227 N N -1.083 117.486 118.700 -0.218 0.000 2.934 227 N HA 0.157 4.897 4.740 -0.000 0.000 0.253 227 N C -0.804 174.589 175.510 -0.195 0.000 1.466 227 N CA -0.540 52.408 53.050 -0.169 0.000 0.858 227 N CB 0.235 38.636 38.487 -0.144 0.000 1.459 227 N HN -0.246 nan 8.380 nan 0.000 0.532 228 T N -3.680 110.770 114.554 -0.172 0.000 2.904 228 T HA 0.576 4.926 4.350 -0.000 0.000 0.290 228 T C 1.303 175.831 174.700 -0.287 0.000 1.018 228 T CA -0.173 61.806 62.100 -0.202 0.000 1.075 228 T CB 0.936 69.719 68.868 -0.142 0.000 0.986 228 T HN 0.746 nan 8.240 nan 0.000 0.523 229 A N 1.204 123.766 122.820 -0.431 0.000 2.121 229 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 229 A C 1.706 179.067 177.584 -0.373 0.000 1.154 229 A CA 1.415 53.083 52.037 -0.615 0.000 0.679 229 A CB -1.077 17.052 19.000 -1.452 0.000 0.795 229 A HN 1.021 nan 8.150 nan 0.000 0.458 230 D N -1.033 119.225 120.400 -0.238 0.000 2.347 230 D HA -0.040 4.600 4.640 -0.000 0.000 0.215 230 D C 0.566 176.808 176.300 -0.098 0.000 0.976 230 D CA 0.162 54.085 54.000 -0.128 0.000 0.884 230 D CB -0.102 40.647 40.800 -0.085 0.000 0.915 230 D HN 0.242 nan 8.370 nan 0.000 0.526 231 Q N 1.262 120.992 119.800 -0.117 0.000 2.352 231 Q HA 0.147 4.487 4.340 -0.000 0.000 0.260 231 Q C -1.915 174.052 176.000 -0.054 0.000 0.976 231 Q CA -1.695 54.059 55.803 -0.083 0.000 0.881 231 Q CB 0.616 29.299 28.738 -0.091 0.000 1.235 231 Q HN 0.229 nan 8.270 nan 0.000 0.419 232 P HA 0.024 nan 4.420 nan 0.000 0.226 232 P C -0.601 176.684 177.300 -0.025 0.000 1.783 232 P CA 0.032 63.116 63.100 -0.027 0.000 0.980 232 P CB -0.366 31.311 31.700 -0.038 0.000 1.967 233 T N -1.110 113.461 114.554 0.028 0.000 2.949 233 T HA 0.668 5.017 4.350 -0.000 0.000 0.287 233 T C 0.010 174.810 174.700 0.166 0.000 1.034 233 T CA -0.920 61.219 62.100 0.064 0.000 1.018 233 T CB 2.230 71.175 68.868 0.129 0.000 1.135 233 T HN 0.064 nan 8.240 nan 0.000 0.532 234 R N -0.462 120.067 120.500 0.049 0.000 2.837 234 R HA 0.368 4.707 4.340 -0.000 0.000 0.271 234 R C -1.516 174.593 176.300 -0.319 0.000 0.993 234 R CA -0.934 55.186 56.100 0.033 0.000 0.931 234 R CB 2.078 32.445 30.300 0.112 0.000 1.206 234 R HN 0.757 nan 8.270 nan 0.000 0.474 235 Y N 1.933 122.043 120.300 -0.317 0.000 2.465 235 Y HA 0.145 4.695 4.550 -0.000 0.000 0.331 235 Y C -0.569 175.265 175.900 -0.111 0.000 1.102 235 Y CA -0.141 57.827 58.100 -0.221 0.000 1.358 235 Y CB 0.514 39.162 38.460 0.313 0.000 1.213 235 Y HN 0.348 nan 8.280 nan 0.000 0.525 236 L N 7.223 128.237 121.223 -0.349 0.000 2.282 236 L HA 0.440 4.780 4.340 -0.000 0.000 0.288 236 L C -1.242 175.492 176.870 -0.227 0.000 1.033 236 L CA -0.729 53.865 54.840 -0.410 0.000 0.807 236 L CB 1.007 42.429 42.059 -1.060 0.000 1.209 236 L HN 0.617 nan 8.230 nan 0.000 0.423 237 K N 5.487 125.886 120.400 -0.002 0.000 2.235 237 K HA 0.648 4.968 4.320 -0.000 0.000 0.266 237 K C -1.364 175.195 176.600 -0.069 0.000 0.980 237 K CA -0.239 56.072 56.287 0.041 0.000 0.849 237 K CB 0.777 33.456 32.500 0.297 0.000 1.098 237 K HN 0.659 nan 8.250 nan 0.000 0.445 238 I N 3.461 123.962 120.570 -0.115 0.000 2.404 238 I HA 0.533 4.703 4.170 -0.000 0.000 0.293 238 I C -0.417 175.678 176.117 -0.038 0.000 0.992 238 I CA -1.163 60.106 61.300 -0.051 0.000 1.149 238 I CB 2.038 40.019 38.000 -0.033 0.000 1.315 238 I HN 0.698 nan 8.210 nan 0.000 0.446 239 A N 6.148 129.004 122.820 0.061 0.000 2.337 239 A HA 0.829 5.149 4.320 -0.000 0.000 0.329 239 A C -0.805 176.887 177.584 0.181 0.000 1.146 239 A CA -0.523 51.597 52.037 0.138 0.000 0.800 239 A CB 1.488 20.647 19.000 0.265 0.000 1.220 239 A HN 0.450 nan 8.150 nan 0.000 0.472 240 V N 3.220 123.246 119.914 0.187 0.000 2.444 240 V HA 0.468 4.588 4.120 -0.000 0.000 0.294 240 V C -0.729 175.507 176.094 0.237 0.000 1.022 240 V CA -0.458 61.936 62.300 0.156 0.000 0.850 240 V CB 0.693 32.561 31.823 0.075 0.000 0.992 240 V HN 0.884 nan 8.190 nan 0.000 0.426 241 Y N 2.934 123.327 120.300 0.156 0.000 2.534 241 Y HA 0.941 5.491 4.550 -0.000 0.000 0.329 241 Y C -0.229 175.793 175.900 0.204 0.000 1.154 241 Y CA -1.004 57.192 58.100 0.160 0.000 1.192 241 Y CB 1.412 39.926 38.460 0.090 0.000 1.275 241 Y HN 0.855 nan 8.280 nan 0.000 0.491 242 H N -0.099 119.074 119.070 0.171 0.000 3.016 242 H HA 0.771 5.327 4.556 -0.000 0.000 0.362 242 H C -1.748 173.679 175.328 0.166 0.000 1.233 242 H CA -1.495 54.522 56.048 -0.051 0.000 1.124 242 H CB 2.110 31.796 29.762 -0.127 0.000 1.850 242 H HN 0.835 nan 8.280 nan 0.000 0.549 243 F N -1.308 118.699 119.950 0.095 0.000 2.741 243 F HA 0.690 5.217 4.527 -0.000 0.000 0.313 243 F C -1.199 174.652 175.800 0.085 0.000 1.153 243 F CA -1.065 56.974 58.000 0.064 0.000 0.931 243 F CB 1.665 40.699 39.000 0.057 0.000 1.335 243 F HN 0.691 nan 8.300 nan 0.000 0.460 244 S N -0.135 115.721 115.700 0.261 0.000 2.498 244 S HA 0.424 4.894 4.470 -0.000 0.000 0.317 244 S C 0.518 175.257 174.600 0.233 0.000 1.090 244 S CA 0.123 58.416 58.200 0.154 0.000 1.089 244 S CB 1.081 64.345 63.200 0.107 0.000 0.997 244 S HN 1.015 nan 8.310 nan 0.000 0.470 245 T N 1.547 116.226 114.554 0.209 0.000 3.023 245 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 245 T C 1.781 176.542 174.700 0.102 0.000 1.093 245 T CA 1.215 63.420 62.100 0.175 0.000 1.129 245 T CB -0.368 68.587 68.868 0.146 0.000 0.899 245 T HN 0.669 nan 8.240 nan 0.000 0.491 246 S N 0.303 116.052 115.700 0.082 0.000 2.486 246 S HA 0.133 4.603 4.470 -0.000 0.000 0.220 246 S C 0.568 175.214 174.600 0.077 0.000 1.011 246 S CA 0.129 58.367 58.200 0.064 0.000 0.921 246 S CB -0.034 63.194 63.200 0.046 0.000 0.785 246 S HN 0.359 nan 8.310 nan 0.000 0.517 247 D N 1.550 122.008 120.400 0.098 0.000 2.656 247 D HA 0.445 5.085 4.640 -0.000 0.000 0.303 247 D C -2.272 174.121 176.300 0.155 0.000 1.199 247 D CA -2.120 51.960 54.000 0.133 0.000 0.797 247 D CB 1.335 42.205 40.800 0.116 0.000 1.170 247 D HN 0.036 nan 8.370 nan 0.000 0.509 248 P HA -0.126 nan 4.420 nan 0.000 0.215 248 P C 1.338 178.677 177.300 0.066 0.000 1.153 248 P CA 1.451 64.618 63.100 0.112 0.000 0.853 248 P CB 0.078 31.828 31.700 0.084 0.000 0.788 249 T N -5.655 108.908 114.554 0.015 0.000 3.081 249 T HA 0.005 4.355 4.350 -0.000 0.000 0.255 249 T C 1.241 175.733 174.700 -0.348 0.000 1.113 249 T CA 0.870 62.867 62.100 -0.172 0.000 1.082 249 T CB -0.831 67.876 68.868 -0.269 0.000 0.939 249 T HN 0.209 nan 8.240 nan 0.000 0.506 250 H N 0.288 119.388 119.070 0.050 0.000 2.501 250 H HA 0.452 5.008 4.556 -0.000 0.000 0.281 250 H C 1.827 177.191 175.328 0.059 0.000 0.988 250 H CA 0.461 56.538 56.048 0.049 0.000 1.232 250 H CB 0.337 30.121 29.762 0.037 0.000 1.455 250 H HN 0.225 nan 8.280 nan 0.000 0.501 251 S N 0.905 116.711 115.700 0.176 0.000 2.679 251 S HA 0.225 4.695 4.470 -0.000 0.000 0.233 251 S C 1.068 175.738 174.600 0.117 0.000 0.951 251 S CA 0.172 58.441 58.200 0.116 0.000 0.973 251 S CB -0.175 63.072 63.200 0.077 0.000 0.778 251 S HN 0.532 nan 8.310 nan 0.000 0.477 252 G N 0.178 109.055 108.800 0.128 0.000 2.666 252 G HA2 0.179 4.139 3.960 -0.000 0.000 0.207 252 G HA3 0.179 4.139 3.960 -0.000 0.000 0.207 252 G C -0.288 174.692 174.900 0.132 0.000 1.481 252 G CA -0.400 44.777 45.100 0.128 0.000 1.071 252 G HN 0.420 nan 8.290 nan 0.000 0.572 253 C N 0.893 120.177 119.300 -0.028 0.000 2.349 253 C HA 0.592 5.051 4.460 -0.000 0.000 0.348 253 C C 1.864 176.913 174.990 0.099 0.000 1.223 253 C CA -0.070 58.945 59.018 -0.005 0.000 1.746 253 C CB -0.507 27.128 27.740 -0.176 0.000 2.360 253 C HN 0.734 nan 8.230 nan 0.000 0.533 254 A N 4.621 127.533 122.820 0.153 0.000 2.066 254 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 254 A C 2.238 179.835 177.584 0.022 0.000 1.157 254 A CA 1.605 53.702 52.037 0.098 0.000 0.670 254 A CB -0.470 18.605 19.000 0.125 0.000 0.804 254 A HN 1.285 nan 8.150 nan 0.000 0.453 255 A N -1.038 121.765 122.820 -0.028 0.000 1.972 255 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 255 A C 1.603 178.938 177.584 -0.416 0.000 1.169 255 A CA 1.351 53.257 52.037 -0.218 0.000 0.635 255 A CB -0.607 18.221 19.000 -0.286 0.000 0.810 255 A HN 0.630 nan 8.150 nan 0.000 0.446 256 H N -1.444 117.649 119.070 0.039 0.000 2.488 256 H HA 0.329 4.885 4.556 -0.000 0.000 0.294 256 H C 1.369 176.699 175.328 0.004 0.000 1.088 256 H CA 0.206 56.261 56.048 0.011 0.000 1.086 256 H CB -0.299 29.460 29.762 -0.006 0.000 1.569 256 H HN 0.580 nan 8.280 nan 0.000 0.548 257 G N 1.334 110.169 108.800 0.059 0.000 2.198 257 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.260 257 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.260 257 G C 0.659 175.577 174.900 0.030 0.000 1.025 257 G CA 0.876 45.998 45.100 0.036 0.000 0.769 257 G HN 0.427 nan 8.290 nan 0.000 0.507 258 S N -2.032 113.699 115.700 0.052 0.000 3.587 258 S HA -0.295 4.175 4.470 -0.000 0.000 0.337 258 S C 0.491 175.108 174.600 0.029 0.000 1.119 258 S CA 1.308 59.533 58.200 0.043 0.000 0.976 258 S CB -1.218 61.994 63.200 0.021 0.000 0.922 258 S HN 1.680 nan 8.310 nan 0.000 0.503 259 N N 1.219 119.943 118.700 0.039 0.000 2.485 259 N HA 0.308 5.048 4.740 -0.000 0.000 0.243 259 N C 0.521 176.034 175.510 0.005 0.000 0.987 259 N CA -0.395 52.664 53.050 0.014 0.000 0.940 259 N CB 1.032 39.523 38.487 0.007 0.000 1.122 259 N HN 0.119 nan 8.380 nan 0.000 0.509 260 D N 2.384 122.782 120.400 -0.003 0.000 2.144 260 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 260 D C 1.563 177.804 176.300 -0.100 0.000 0.984 260 D CA 0.825 54.822 54.000 -0.006 0.000 0.834 260 D CB 0.200 40.979 40.800 -0.035 0.000 0.955 260 D HN 0.613 nan 8.370 nan 0.000 0.465 261 R N 0.848 121.282 120.500 -0.110 0.000 2.081 261 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 261 R C 2.007 178.187 176.300 -0.200 0.000 1.131 261 R CA 1.420 57.429 56.100 -0.153 0.000 0.960 261 R CB -0.130 30.113 30.300 -0.094 0.000 0.856 261 R HN 0.106 nan 8.270 nan 0.000 0.436 262 A N 0.441 123.167 122.820 -0.157 0.000 1.969 262 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 262 A C 2.241 179.582 177.584 -0.405 0.000 1.169 262 A CA 1.385 53.302 52.037 -0.199 0.000 0.635 262 A CB -0.415 18.536 19.000 -0.083 0.000 0.810 262 A HN 0.530 nan 8.150 nan 0.000 0.445 263 A N -0.234 122.386 122.820 -0.333 0.000 1.872 263 A HA 0.048 4.368 4.320 -0.000 0.000 0.214 263 A C 2.164 179.487 177.584 -0.435 0.000 1.187 263 A CA 1.250 53.042 52.037 -0.409 0.000 0.614 263 A CB -0.641 18.348 19.000 -0.018 0.000 0.826 263 A HN 0.557 nan 8.150 nan 0.000 0.442 264 L N -0.312 120.573 121.223 -0.565 0.000 1.989 264 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 264 L C 2.483 179.013 176.870 -0.567 0.000 1.071 264 L CA 2.247 56.507 54.840 -0.967 0.000 0.749 264 L CB -0.395 41.051 42.059 -1.021 0.000 0.890 264 L HN 0.510 nan 8.230 nan 0.000 0.431 265 E N -0.307 119.639 120.200 -0.423 0.000 2.106 265 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 265 E C 2.157 178.606 176.600 -0.252 0.000 0.984 265 E CA 1.006 57.224 56.400 -0.303 0.000 0.806 265 E CB -0.162 29.396 29.700 -0.236 0.000 0.750 265 E HN 0.680 nan 8.360 nan 0.000 0.458 266 A N 1.553 124.185 122.820 -0.314 0.000 1.877 266 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 266 A C 2.397 179.893 177.584 -0.145 0.000 1.186 266 A CA 1.723 53.613 52.037 -0.246 0.000 0.620 266 A CB -0.623 18.131 19.000 -0.411 0.000 0.822 266 A HN 0.295 nan 8.150 nan 0.000 0.443 267 A N -0.614 122.127 122.820 -0.132 0.000 1.902 267 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 267 A C 2.128 179.725 177.584 0.021 0.000 1.181 267 A CA 1.739 53.788 52.037 0.019 0.000 0.623 267 A CB -0.600 18.458 19.000 0.097 0.000 0.818 267 A HN 0.697 nan 8.150 nan 0.000 0.443 268 L N -0.206 120.966 121.223 -0.086 0.000 2.046 268 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 268 L C 2.365 179.219 176.870 -0.026 0.000 1.077 268 L CA 2.806 57.605 54.840 -0.069 0.000 0.747 268 L CB -1.171 40.788 42.059 -0.167 0.000 0.896 268 L HN 0.347 nan 8.230 nan 0.000 0.432 269 T N -1.114 113.401 114.554 -0.064 0.000 2.821 269 T HA -0.206 4.143 4.350 -0.000 0.000 0.267 269 T C 1.797 176.469 174.700 -0.047 0.000 1.046 269 T CA 1.513 63.580 62.100 -0.054 0.000 1.139 269 T CB -0.111 68.709 68.868 -0.080 0.000 0.871 269 T HN 0.328 nan 8.240 nan 0.000 0.454 270 Q N 0.557 120.309 119.800 -0.080 0.000 2.119 270 Q HA 0.089 4.429 4.340 -0.000 0.000 0.201 270 Q C 2.092 178.103 176.000 0.018 0.000 0.972 270 Q CA 1.138 56.812 55.803 -0.216 0.000 0.847 270 Q CB -0.484 27.974 28.738 -0.466 0.000 0.903 270 Q HN 0.489 nan 8.270 nan 0.000 0.433 271 L N -0.775 120.599 121.223 0.252 0.000 2.017 271 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 271 L C 2.376 179.401 176.870 0.258 0.000 1.073 271 L CA 1.322 56.397 54.840 0.391 0.000 0.745 271 L CB -0.389 41.828 42.059 0.263 0.000 0.894 271 L HN 0.351 nan 8.230 nan 0.000 0.432 272 M N -0.684 119.000 119.600 0.140 0.000 2.117 272 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 272 M C 2.242 178.586 176.300 0.074 0.000 1.065 272 M CA 1.747 57.105 55.300 0.097 0.000 1.114 272 M CB -0.325 32.313 32.600 0.063 0.000 1.361 272 M HN 0.079 nan 8.290 nan 0.000 0.408 273 K N -0.487 119.949 120.400 0.061 0.000 2.148 273 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 273 K C 1.839 178.507 176.600 0.114 0.000 1.050 273 K CA 1.152 57.462 56.287 0.039 0.000 0.942 273 K CB -0.235 32.251 32.500 -0.023 0.000 0.724 273 K HN 0.190 nan 8.250 nan 0.000 0.446 274 F N 2.209 122.177 119.950 0.029 0.000 2.163 274 F HA -0.055 4.472 4.527 -0.000 0.000 0.297 274 F C 2.340 178.142 175.800 0.004 0.000 1.094 274 F CA 1.058 59.104 58.000 0.076 0.000 1.290 274 F CB -0.297 38.881 39.000 0.296 0.000 1.017 274 F HN -0.167 nan 8.300 nan 0.000 0.483 275 R N 0.626 121.044 120.500 -0.138 0.000 2.083 275 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 275 R C 2.129 178.304 176.300 -0.207 0.000 1.137 275 R CA 2.125 58.064 56.100 -0.269 0.000 0.951 275 R CB -0.486 29.753 30.300 -0.101 0.000 0.851 275 R HN 0.384 nan 8.270 nan 0.000 0.434 276 E N -0.102 120.045 120.200 -0.088 0.000 2.118 276 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 276 E C 1.947 178.492 176.600 -0.092 0.000 0.992 276 E CA 1.163 57.523 56.400 -0.067 0.000 0.804 276 E CB -0.110 29.576 29.700 -0.024 0.000 0.741 276 E HN 0.514 nan 8.360 nan 0.000 0.458 277 A N 0.862 123.630 122.820 -0.087 0.000 1.858 277 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 277 A C 2.513 180.001 177.584 -0.160 0.000 1.190 277 A CA 1.307 53.300 52.037 -0.074 0.000 0.617 277 A CB -0.741 18.282 19.000 0.038 0.000 0.827 277 A HN 0.121 nan 8.150 nan 0.000 0.443 278 V N 0.347 120.051 119.914 -0.350 0.000 2.343 278 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 278 V C 2.403 178.287 176.094 -0.350 0.000 1.051 278 V CA 2.304 64.285 62.300 -0.531 0.000 1.036 278 V CB -0.931 30.243 31.823 -1.082 0.000 0.654 278 V HN 0.641 nan 8.190 nan 0.000 0.451 279 E N 0.098 120.131 120.200 -0.278 0.000 2.153 279 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 279 E C 1.771 178.317 176.600 -0.090 0.000 0.988 279 E CA 1.195 57.500 56.400 -0.158 0.000 0.811 279 E CB -0.140 29.490 29.700 -0.116 0.000 0.746 279 E HN 0.615 nan 8.360 nan 0.000 0.466 280 N N -0.254 118.390 118.700 -0.094 0.000 2.322 280 N HA 0.077 4.817 4.740 -0.000 0.000 0.181 280 N C 1.371 176.819 175.510 -0.102 0.000 1.088 280 N CA 0.446 53.452 53.050 -0.074 0.000 0.885 280 N CB 0.600 39.050 38.487 -0.060 0.000 1.013 280 N HN 0.026 nan 8.380 nan 0.000 0.472 281 A N 0.559 123.287 122.820 -0.153 0.000 2.119 281 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 281 A C 0.351 177.601 177.584 -0.556 0.000 1.152 281 A CA 0.782 52.633 52.037 -0.311 0.000 0.708 281 A CB -0.034 18.772 19.000 -0.323 0.000 0.805 281 A HN 0.199 nan 8.150 nan 0.000 0.460 282 H N -1.227 117.807 119.070 -0.061 0.000 2.717 282 H HA 0.328 4.884 4.556 -0.000 0.000 0.366 282 H C -0.004 175.322 175.328 -0.003 0.000 1.132 282 H CA -0.533 55.511 56.048 -0.005 0.000 1.180 282 H CB 1.209 30.981 29.762 0.016 0.000 1.678 282 H HN 0.476 nan 8.280 nan 0.000 0.537 283 C N -0.272 119.105 119.300 0.128 0.000 2.553 283 C HA 0.316 4.776 4.460 -0.000 0.000 0.345 283 C C 1.199 176.250 174.990 0.101 0.000 1.369 283 C CA -0.465 58.602 59.018 0.082 0.000 2.447 283 C CB -0.504 27.274 27.740 0.064 0.000 2.358 283 C HN 1.035 nan 8.230 nan 0.000 0.676 284 C N 1.124 120.466 119.300 0.071 0.000 4.424 284 C HA 0.174 4.634 4.460 -0.000 0.000 0.304 284 C C 1.413 176.452 174.990 0.081 0.000 1.344 284 C CA 1.410 60.472 59.018 0.074 0.000 2.033 284 C CB -2.905 24.886 27.740 0.086 0.000 1.264 284 C HN 2.858 nan 8.230 nan 0.000 0.750 285 G N -1.024 107.812 108.800 0.061 0.000 2.160 285 G HA2 0.188 4.147 3.960 -0.000 0.000 0.244 285 G HA3 0.188 4.147 3.960 -0.000 0.000 0.244 285 G C 0.145 175.083 174.900 0.065 0.000 1.022 285 G CA 0.490 45.621 45.100 0.052 0.000 0.741 285 G HN 2.499 nan 8.290 nan 0.000 0.508 286 A N -0.119 122.742 122.820 0.069 0.000 2.520 286 A HA 0.693 5.013 4.320 -0.000 0.000 0.245 286 A C 0.909 178.452 177.584 -0.068 0.000 1.072 286 A CA 1.290 53.357 52.037 0.051 0.000 0.761 286 A CB 0.270 19.253 19.000 -0.028 0.000 1.004 286 A HN 2.190 nan 8.150 nan 0.000 0.499 287 S N 1.281 116.960 115.700 -0.036 0.000 2.615 287 S HA 0.791 5.261 4.470 -0.000 0.000 0.269 287 S C -0.531 174.032 174.600 -0.060 0.000 1.161 287 S CA -0.184 57.952 58.200 -0.105 0.000 0.817 287 S CB 0.849 64.017 63.200 -0.053 0.000 1.131 287 S HN 1.628 nan 8.310 nan 0.000 0.467 288 I N -1.870 118.626 120.570 -0.123 0.000 3.174 288 I HA 0.730 4.900 4.170 -0.000 0.000 0.313 288 I C -1.674 174.425 176.117 -0.031 0.000 1.155 288 I CA -0.992 60.288 61.300 -0.033 0.000 0.977 288 I CB 1.961 39.883 38.000 -0.131 0.000 1.248 288 I HN 0.443 nan 8.210 nan 0.000 0.453 289 D N 2.876 123.285 120.400 0.014 0.000 2.217 289 D HA 0.675 5.315 4.640 -0.000 0.000 0.248 289 D C -0.519 175.756 176.300 -0.041 0.000 1.008 289 D CA 0.009 54.000 54.000 -0.016 0.000 0.914 289 D CB 2.580 43.410 40.800 0.051 0.000 1.182 289 D HN 0.656 nan 8.370 nan 0.000 0.451 290 I N -1.663 118.888 120.570 -0.032 0.000 2.730 290 I HA 0.692 4.862 4.170 -0.000 0.000 0.298 290 I C -1.586 174.536 176.117 0.008 0.000 1.089 290 I CA -1.091 60.215 61.300 0.009 0.000 1.041 290 I CB 2.279 40.320 38.000 0.068 0.000 1.235 290 I HN 0.083 nan 8.210 nan 0.000 0.423 291 L N 5.094 126.333 121.223 0.026 0.000 2.482 291 L HA 0.691 5.031 4.340 -0.000 0.000 0.263 291 L C -1.968 174.974 176.870 0.120 0.000 0.957 291 L CA -0.540 54.346 54.840 0.076 0.000 0.836 291 L CB 2.080 44.172 42.059 0.055 0.000 1.324 291 L HN 0.759 nan 8.230 nan 0.000 0.406 292 L N 5.265 126.596 121.223 0.180 0.000 2.346 292 L HA 0.753 5.093 4.340 -0.000 0.000 0.276 292 L C -1.368 175.713 176.870 0.352 0.000 1.006 292 L CA -0.065 54.908 54.840 0.221 0.000 0.817 292 L CB 1.557 43.669 42.059 0.087 0.000 1.272 292 L HN 0.559 nan 8.230 nan 0.000 0.421 293 I N 3.917 124.661 120.570 0.290 0.000 2.533 293 I HA 0.554 4.723 4.170 -0.000 0.000 0.290 293 I C 0.112 176.152 176.117 -0.129 0.000 1.056 293 I CA -0.693 60.700 61.300 0.155 0.000 1.057 293 I CB 2.156 40.199 38.000 0.071 0.000 1.240 293 I HN 0.742 nan 8.210 nan 0.000 0.423 294 G N 4.891 113.480 108.800 -0.352 0.000 2.388 294 G HA2 0.654 4.614 3.960 -0.000 0.000 0.330 294 G HA3 0.654 4.614 3.960 -0.000 0.000 0.330 294 G C -1.071 173.594 174.900 -0.392 0.000 1.142 294 G CA -0.381 44.152 45.100 -0.945 0.000 0.908 294 G HN 0.317 nan 8.290 nan 0.000 0.473 295 V N 1.949 121.569 119.914 -0.490 0.000 2.531 295 V HA 0.268 4.387 4.120 -0.000 0.000 0.301 295 V C -0.889 174.601 176.094 -1.006 0.000 1.034 295 V CA -0.881 61.127 62.300 -0.486 0.000 0.865 295 V CB 1.892 33.551 31.823 -0.273 0.000 0.995 295 V HN 0.798 nan 8.190 nan 0.000 0.424 296 D N 3.169 123.001 120.400 -0.946 0.000 2.365 296 D HA 0.140 4.780 4.640 -0.000 0.000 0.237 296 D C 1.432 177.505 176.300 -0.379 0.000 1.190 296 D CA 0.195 53.657 54.000 -0.897 0.000 0.867 296 D CB 1.700 42.279 40.800 -0.368 0.000 1.050 296 D HN 0.726 nan 8.370 nan 0.000 0.491 297 T N 0.368 114.744 114.554 -0.297 0.000 3.072 297 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 297 T C 0.982 175.680 174.700 -0.003 0.000 1.127 297 T CA 0.521 62.531 62.100 -0.150 0.000 1.107 297 T CB 0.041 68.804 68.868 -0.177 0.000 0.910 297 T HN 0.181 nan 8.240 nan 0.000 0.513 298 D N 2.057 122.462 120.400 0.010 0.000 2.183 298 D HA -0.013 4.627 4.640 -0.000 0.000 0.203 298 D C 2.182 178.560 176.300 0.130 0.000 0.969 298 D CA 1.833 55.893 54.000 0.101 0.000 0.842 298 D CB -0.182 40.638 40.800 0.033 0.000 0.957 298 D HN 0.738 nan 8.370 nan 0.000 0.484 299 T N -4.547 110.032 114.554 0.041 0.000 3.016 299 T HA 0.111 4.461 4.350 -0.000 0.000 0.271 299 T C 0.187 174.890 174.700 0.005 0.000 0.968 299 T CA -0.119 61.972 62.100 -0.016 0.000 0.891 299 T CB 0.790 69.620 68.868 -0.064 0.000 1.149 299 T HN -0.257 nan 8.240 nan 0.000 0.524 300 D N 1.131 121.555 120.400 0.040 0.000 3.059 300 D HA -0.120 4.520 4.640 -0.000 0.000 0.220 300 D C 0.354 176.632 176.300 -0.038 0.000 1.169 300 D CA 1.059 55.068 54.000 0.015 0.000 0.902 300 D CB -1.567 39.289 40.800 0.094 0.000 1.116 300 D HN 0.910 nan 8.370 nan 0.000 0.417 301 A N 0.457 123.239 122.820 -0.063 0.000 2.401 301 A HA 0.554 4.874 4.320 -0.000 0.000 0.259 301 A C 0.856 178.399 177.584 -0.069 0.000 1.103 301 A CA -0.467 51.538 52.037 -0.053 0.000 0.789 301 A CB 0.365 19.337 19.000 -0.046 0.000 1.035 301 A HN 0.410 nan 8.150 nan 0.000 0.491 302 I N 0.117 120.663 120.570 -0.040 0.000 2.664 302 I HA 0.758 4.928 4.170 -0.000 0.000 0.308 302 I C 0.130 176.246 176.117 -0.001 0.000 0.984 302 I CA -1.002 60.272 61.300 -0.043 0.000 1.213 302 I CB 1.444 39.422 38.000 -0.036 0.000 1.379 302 I HN 0.783 nan 8.210 nan 0.000 0.501 303 R N 4.418 124.907 120.500 -0.020 0.000 2.513 303 R HA 0.699 5.039 4.340 -0.000 0.000 0.301 303 R C -2.250 174.028 176.300 -0.037 0.000 0.968 303 R CA -0.609 55.467 56.100 -0.039 0.000 0.872 303 R CB 2.062 32.262 30.300 -0.165 0.000 1.177 303 R HN 0.634 nan 8.270 nan 0.000 0.444 304 V N 4.572 124.503 119.914 0.029 0.000 2.417 304 V HA 0.297 4.416 4.120 -0.000 0.000 0.291 304 V C 0.027 176.189 176.094 0.113 0.000 1.024 304 V CA -0.796 61.564 62.300 0.100 0.000 0.861 304 V CB 1.421 33.312 31.823 0.112 0.000 0.985 304 V HN 0.764 nan 8.190 nan 0.000 0.436 305 H N 5.044 124.246 119.070 0.221 0.000 2.819 305 H HA 0.277 4.833 4.556 -0.000 0.000 0.303 305 H C -0.327 175.115 175.328 0.189 0.000 1.058 305 H CA -0.406 55.790 56.048 0.247 0.000 1.471 305 H CB 1.242 31.136 29.762 0.220 0.000 1.480 305 H HN 0.347 nan 8.280 nan 0.000 0.517 306 I N 6.317 127.035 120.570 0.247 0.000 2.416 306 I HA 0.132 4.302 4.170 -0.000 0.000 0.288 306 I C -2.053 174.169 176.117 0.175 0.000 1.051 306 I CA -2.897 58.511 61.300 0.180 0.000 1.375 306 I CB 0.364 38.439 38.000 0.125 0.000 1.407 306 I HN 0.273 nan 8.210 nan 0.000 0.516 307 P HA 0.141 nan 4.420 nan 0.000 0.274 307 P C -0.613 176.752 177.300 0.110 0.000 1.237 307 P CA -0.263 62.913 63.100 0.126 0.000 0.793 307 P CB 0.645 32.400 31.700 0.091 0.000 0.977 308 D N -1.199 119.270 120.400 0.114 0.000 2.507 308 D HA 0.066 4.706 4.640 -0.000 0.000 0.280 308 D C 1.100 177.434 176.300 0.057 0.000 1.219 308 D CA -0.368 53.694 54.000 0.103 0.000 1.085 308 D CB -0.546 40.343 40.800 0.149 0.000 1.134 308 D HN 0.248 nan 8.370 nan 0.000 0.583 309 S N -1.475 114.259 115.700 0.057 0.000 2.481 309 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 309 S C 1.237 175.830 174.600 -0.012 0.000 0.996 309 S CA 0.527 58.742 58.200 0.026 0.000 0.942 309 S CB -0.398 62.823 63.200 0.034 0.000 0.768 309 S HN 0.449 nan 8.310 nan 0.000 0.520 310 K N 0.363 120.752 120.400 -0.019 0.000 2.374 310 K HA 0.341 4.661 4.320 -0.000 0.000 0.196 310 K C 1.133 177.425 176.600 -0.512 0.000 1.023 310 K CA 0.392 56.580 56.287 -0.165 0.000 1.103 310 K CB 0.185 32.713 32.500 0.046 0.000 0.848 310 K HN 0.497 nan 8.250 nan 0.000 0.528 311 G N 0.951 109.565 108.800 -0.310 0.000 2.157 311 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 311 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 311 G C -0.046 174.668 174.900 -0.310 0.000 0.979 311 G CA -0.332 44.586 45.100 -0.303 0.000 0.650 311 G HN 0.201 nan 8.290 nan 0.000 0.529 312 F N 0.154 120.133 119.950 0.047 0.000 2.382 312 F HA 0.723 5.250 4.527 -0.000 0.000 0.331 312 F C 1.083 176.921 175.800 0.063 0.000 1.121 312 F CA -0.793 57.234 58.000 0.045 0.000 1.183 312 F CB 0.873 39.896 39.000 0.037 0.000 1.207 312 F HN -0.054 nan 8.300 nan 0.000 0.555 313 L N 1.911 123.285 121.223 0.251 0.000 2.319 313 L HA 0.502 4.842 4.340 -0.000 0.000 0.267 313 L C -0.502 176.455 176.870 0.145 0.000 1.011 313 L CA -0.954 53.992 54.840 0.178 0.000 0.818 313 L CB 1.891 44.022 42.059 0.120 0.000 1.316 313 L HN 0.598 nan 8.230 nan 0.000 0.432 314 N N 0.644 119.440 118.700 0.160 0.000 2.310 314 N HA 0.341 5.081 4.740 -0.000 0.000 0.292 314 N C -2.463 173.129 175.510 0.137 0.000 1.049 314 N CA -1.625 51.505 53.050 0.134 0.000 0.849 314 N CB 3.053 41.659 38.487 0.198 0.000 1.532 314 N HN 0.136 nan 8.380 nan 0.000 0.479 315 P HA 0.023 nan 4.420 nan 0.000 0.222 315 P C 0.081 177.340 177.300 -0.068 0.000 1.147 315 P CA 1.257 64.198 63.100 -0.265 0.000 0.790 315 P CB 0.010 31.294 31.700 -0.694 0.000 0.780 316 Y N -1.868 118.653 120.300 0.368 0.000 2.467 316 Y HA 0.262 4.812 4.550 -0.000 0.000 0.250 316 Y C 1.224 177.177 175.900 0.089 0.000 1.155 316 Y CA -0.533 57.752 58.100 0.309 0.000 1.249 316 Y CB 0.250 38.903 38.460 0.321 0.000 1.146 316 Y HN -0.244 nan 8.280 nan 0.000 0.524 317 R N 1.906 122.568 120.500 0.269 0.000 2.247 317 R HA 0.341 4.681 4.340 -0.000 0.000 0.329 317 R C -1.779 174.608 176.300 0.145 0.000 1.014 317 R CA -0.457 55.709 56.100 0.110 0.000 0.907 317 R CB 0.232 30.626 30.300 0.158 0.000 1.146 317 R HN 0.218 nan 8.270 nan 0.000 0.499 318 Y N -0.318 119.988 120.300 0.010 0.000 2.624 318 Y HA 0.473 5.023 4.550 -0.000 0.000 0.334 318 Y C -1.692 174.186 175.900 -0.037 0.000 1.155 318 Y CA -1.296 56.743 58.100 -0.101 0.000 1.046 318 Y CB 0.824 39.022 38.460 -0.437 0.000 1.316 318 Y HN -0.034 nan 8.280 nan 0.000 0.457 319 V N 2.345 122.374 119.914 0.192 0.000 2.427 319 V HA 0.290 4.409 4.120 -0.000 0.000 0.286 319 V C -0.747 175.492 176.094 0.241 0.000 1.034 319 V CA -0.374 62.021 62.300 0.158 0.000 0.893 319 V CB 1.333 33.214 31.823 0.097 0.000 0.982 319 V HN 0.788 nan 8.190 nan 0.000 0.452 320 D N 3.631 124.179 120.400 0.246 0.000 2.274 320 D HA 0.162 4.802 4.640 -0.000 0.000 0.239 320 D C 0.817 177.197 176.300 0.132 0.000 1.104 320 D CA -0.188 53.937 54.000 0.207 0.000 0.840 320 D CB 1.295 42.246 40.800 0.252 0.000 1.100 320 D HN 0.449 nan 8.370 nan 0.000 0.477 321 N N 1.873 120.632 118.700 0.098 0.000 2.396 321 N HA -0.097 4.643 4.740 -0.000 0.000 0.180 321 N C 1.309 176.886 175.510 0.111 0.000 1.028 321 N CA 0.837 53.939 53.050 0.088 0.000 0.893 321 N CB 0.267 38.787 38.487 0.055 0.000 0.967 321 N HN 0.348 nan 8.380 nan 0.000 0.440 322 T N -0.530 114.078 114.554 0.090 0.000 2.788 322 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 322 T C 1.951 176.732 174.700 0.135 0.000 1.044 322 T CA 1.549 63.696 62.100 0.078 0.000 1.139 322 T CB -0.235 68.652 68.868 0.032 0.000 0.867 322 T HN 0.276 nan 8.240 nan 0.000 0.454 323 V N -0.060 119.931 119.914 0.128 0.000 2.488 323 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 323 V C 2.311 178.488 176.094 0.139 0.000 1.046 323 V CA 1.787 64.163 62.300 0.127 0.000 1.053 323 V CB -1.508 30.378 31.823 0.105 0.000 0.679 323 V HN 0.345 nan 8.190 nan 0.000 0.458 324 T N -0.127 114.508 114.554 0.135 0.000 2.746 324 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 324 T C 1.653 176.451 174.700 0.163 0.000 1.039 324 T CA 2.323 64.497 62.100 0.123 0.000 1.142 324 T CB -0.569 68.356 68.868 0.096 0.000 0.866 324 T HN 0.704 nan 8.240 nan 0.000 0.444 325 Y N 1.903 122.235 120.300 0.054 0.000 2.145 325 Y HA -0.091 4.459 4.550 -0.000 0.000 0.286 325 Y C 2.568 178.556 175.900 0.146 0.000 1.145 325 Y CA 1.234 59.386 58.100 0.087 0.000 1.148 325 Y CB -0.437 38.052 38.460 0.048 0.000 0.981 325 Y HN 0.191 nan 8.280 nan 0.000 0.507 326 A N -0.087 122.951 122.820 0.364 0.000 1.929 326 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 326 A C 2.032 179.677 177.584 0.102 0.000 1.176 326 A CA 1.633 53.812 52.037 0.236 0.000 0.628 326 A CB -0.609 18.520 19.000 0.216 0.000 0.816 326 A HN 0.656 nan 8.150 nan 0.000 0.444 327 Q N -0.717 119.145 119.800 0.104 0.000 2.436 327 Q HA -0.068 4.271 4.340 -0.000 0.000 0.209 327 Q C 1.501 177.525 176.000 0.040 0.000 0.965 327 Q CA 1.479 57.326 55.803 0.073 0.000 0.910 327 Q CB -0.038 28.745 28.738 0.076 0.000 0.980 327 Q HN 0.855 nan 8.270 nan 0.000 0.491 328 T N -3.269 111.298 114.554 0.022 0.000 3.040 328 T HA 0.099 4.449 4.350 -0.000 0.000 0.266 328 T C 1.389 175.919 174.700 -0.283 0.000 1.005 328 T CA -0.319 61.770 62.100 -0.018 0.000 0.906 328 T CB 0.113 69.053 68.868 0.121 0.000 1.082 328 T HN 0.047 nan 8.240 nan 0.000 0.531 329 L N 2.104 123.067 121.223 -0.432 0.000 2.043 329 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 329 L C 1.709 178.128 176.870 -0.752 0.000 1.075 329 L CA 1.874 56.216 54.840 -0.830 0.000 0.752 329 L CB -0.715 40.899 42.059 -0.741 0.000 0.891 329 L HN 0.428 nan 8.230 nan 0.000 0.432 330 H N -1.352 117.601 119.070 -0.195 0.000 2.517 330 H HA 0.296 4.852 4.556 -0.000 0.000 0.282 330 H C 0.010 175.269 175.328 -0.115 0.000 1.023 330 H CA -0.501 55.467 56.048 -0.134 0.000 1.169 330 H CB 0.052 29.770 29.762 -0.074 0.000 1.454 330 H HN 0.176 nan 8.280 nan 0.000 0.556 331 L N 0.653 121.823 121.223 -0.088 0.000 2.387 331 L HA 0.471 4.811 4.340 -0.000 0.000 0.266 331 L C 0.732 177.561 176.870 -0.069 0.000 1.059 331 L CA -0.900 53.909 54.840 -0.051 0.000 0.801 331 L CB 0.748 42.784 42.059 -0.038 0.000 1.223 331 L HN 0.092 nan 8.230 nan 0.000 0.456 332 A N 2.303 125.102 122.820 -0.035 0.000 2.445 332 A HA 0.410 4.730 4.320 -0.000 0.000 0.242 332 A C -1.621 175.948 177.584 -0.025 0.000 1.075 332 A CA -0.733 51.286 52.037 -0.030 0.000 0.777 332 A CB -0.508 18.483 19.000 -0.016 0.000 1.013 332 A HN 0.717 nan 8.150 nan 0.000 0.493 333 P HA -0.207 nan 4.420 nan 0.000 0.217 333 P C 0.514 177.819 177.300 0.008 0.000 1.162 333 P CA 1.851 64.951 63.100 0.000 0.000 0.901 333 P CB 0.085 31.785 31.700 -0.001 0.000 0.793 334 D N -0.748 119.653 120.400 0.001 0.000 2.117 334 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 334 D C 1.926 178.231 176.300 0.008 0.000 0.987 334 D CA 1.117 55.118 54.000 0.002 0.000 0.829 334 D CB -0.626 40.172 40.800 -0.004 0.000 0.961 334 D HN 0.370 nan 8.370 nan 0.000 0.460 335 E N 0.572 120.776 120.200 0.007 0.000 2.077 335 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 335 E C 2.128 178.743 176.600 0.025 0.000 0.989 335 E CA 0.987 57.395 56.400 0.013 0.000 0.800 335 E CB -0.098 29.606 29.700 0.008 0.000 0.746 335 E HN 0.212 nan 8.360 nan 0.000 0.452 336 A N 1.720 124.555 122.820 0.025 0.000 1.908 336 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 336 A C 2.079 179.699 177.584 0.061 0.000 1.181 336 A CA 1.477 53.544 52.037 0.050 0.000 0.627 336 A CB -0.448 18.597 19.000 0.075 0.000 0.818 336 A HN 0.099 nan 8.150 nan 0.000 0.445 337 R N -0.719 119.810 120.500 0.049 0.000 2.096 337 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 337 R C 1.997 178.341 176.300 0.073 0.000 1.127 337 R CA 1.389 57.521 56.100 0.053 0.000 0.968 337 R CB -0.604 29.715 30.300 0.032 0.000 0.861 337 R HN 0.408 nan 8.270 nan 0.000 0.440 338 V N 1.535 121.484 119.914 0.057 0.000 2.295 338 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 338 V C 2.323 178.486 176.094 0.115 0.000 1.049 338 V CA 1.434 63.781 62.300 0.078 0.000 1.024 338 V CB -0.430 31.419 31.823 0.043 0.000 0.648 338 V HN 0.220 nan 8.190 nan 0.000 0.447 339 I N -0.066 120.554 120.570 0.083 0.000 2.194 339 I HA -0.273 3.897 4.170 -0.000 0.000 0.246 339 I C 2.345 178.513 176.117 0.085 0.000 1.093 339 I CA 1.960 63.306 61.300 0.077 0.000 1.355 339 I CB -1.030 37.007 38.000 0.062 0.000 1.046 339 I HN 0.279 nan 8.210 nan 0.000 0.413 340 I N -0.202 120.425 120.570 0.095 0.000 2.202 340 I HA -0.330 3.839 4.170 -0.000 0.000 0.242 340 I C 2.707 178.889 176.117 0.107 0.000 1.091 340 I CA 1.488 62.842 61.300 0.090 0.000 1.368 340 I CB -0.635 37.414 38.000 0.081 0.000 1.058 340 I HN 0.276 nan 8.210 nan 0.000 0.410 341 H N 1.265 120.362 119.070 0.045 0.000 2.352 341 H HA -0.174 4.381 4.556 -0.000 0.000 0.299 341 H C 2.062 177.416 175.328 0.044 0.000 1.097 341 H CA 1.953 58.031 56.048 0.049 0.000 1.311 341 H CB 0.078 29.867 29.762 0.045 0.000 1.377 341 H HN 0.321 nan 8.280 nan 0.000 0.504 342 E N -0.148 120.090 120.200 0.062 0.000 2.107 342 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 342 E C 2.383 178.969 176.600 -0.022 0.000 0.982 342 E CA 0.591 56.993 56.400 0.004 0.000 0.809 342 E CB -0.087 29.654 29.700 0.069 0.000 0.756 342 E HN 0.642 nan 8.360 nan 0.000 0.459 343 A N 1.171 123.995 122.820 0.007 0.000 1.930 343 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 343 A C 2.132 179.712 177.584 -0.006 0.000 1.175 343 A CA 0.961 53.004 52.037 0.009 0.000 0.627 343 A CB -0.452 18.569 19.000 0.034 0.000 0.815 343 A HN 0.114 nan 8.150 nan 0.000 0.443 344 I N -0.646 119.912 120.570 -0.020 0.000 2.286 344 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 344 I C 2.365 178.455 176.117 -0.046 0.000 1.104 344 I CA 0.909 62.199 61.300 -0.017 0.000 1.397 344 I CB -0.247 37.747 38.000 -0.010 0.000 1.072 344 I HN 0.265 nan 8.210 nan 0.000 0.417 345 L N 0.511 121.667 121.223 -0.110 0.000 2.046 345 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 345 L C 2.248 179.091 176.870 -0.046 0.000 1.077 345 L CA 1.186 55.968 54.840 -0.097 0.000 0.747 345 L CB -0.623 41.344 42.059 -0.153 0.000 0.896 345 L HN 0.322 nan 8.230 nan 0.000 0.432 346 N N 0.150 118.827 118.700 -0.038 0.000 2.223 346 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 346 N C 1.815 177.310 175.510 -0.024 0.000 1.016 346 N CA 1.405 54.440 53.050 -0.025 0.000 0.863 346 N CB -0.248 38.227 38.487 -0.020 0.000 0.983 346 N HN 0.320 nan 8.380 nan 0.000 0.429 347 A N 0.890 123.698 122.820 -0.021 0.000 1.933 347 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 347 A C 1.921 179.508 177.584 0.004 0.000 1.175 347 A CA 1.345 53.371 52.037 -0.018 0.000 0.628 347 A CB -0.700 18.296 19.000 -0.007 0.000 0.814 347 A HN 0.389 nan 8.150 nan 0.000 0.444 348 N N -1.066 117.640 118.700 0.011 0.000 2.494 348 N HA -0.010 4.730 4.740 -0.000 0.000 0.182 348 N C 1.606 177.125 175.510 0.015 0.000 1.076 348 N CA 0.167 53.232 53.050 0.024 0.000 0.908 348 N CB -0.059 38.441 38.487 0.023 0.000 0.967 348 N HN 0.407 nan 8.380 nan 0.000 0.449 349 R N 0.308 120.808 120.500 0.000 0.000 2.280 349 R HA 0.127 4.467 4.340 -0.000 0.000 0.207 349 R C 0.001 176.296 176.300 -0.007 0.000 1.043 349 R CA 0.174 56.271 56.100 -0.004 0.000 1.006 349 R CB 0.155 30.446 30.300 -0.014 0.000 0.885 349 R HN 0.053 nan 8.270 nan 0.000 0.467 350 S N 0.921 116.618 115.700 -0.005 0.000 2.549 350 S HA -0.011 4.459 4.470 -0.000 0.000 0.283 350 S C -0.069 174.531 174.600 0.000 0.000 1.320 350 S CA -0.185 58.007 58.200 -0.014 0.000 1.058 350 S CB 1.068 64.263 63.200 -0.009 0.000 0.882 350 S HN 0.136 nan 8.310 nan 0.000 0.498 351 D N 0.781 121.168 120.400 -0.023 0.000 2.589 351 D HA 0.656 5.296 4.640 -0.000 0.000 0.268 351 D C 1.191 177.482 176.300 -0.015 0.000 1.182 351 D CA 0.643 54.636 54.000 -0.010 0.000 1.087 351 D CB 0.293 41.079 40.800 -0.024 0.000 1.186 351 D HN 0.614 nan 8.370 nan 0.000 0.620 352 G N -0.190 108.607 108.800 -0.004 0.000 2.651 352 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.315 352 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.315 352 G C 1.133 176.133 174.900 0.166 0.000 1.258 352 G CA 0.782 45.894 45.100 0.020 0.000 1.002 352 G HN 0.515 nan 8.290 nan 0.000 0.551 353 W N 0.468 121.749 121.300 -0.033 0.000 2.374 353 W HA 0.305 4.965 4.660 -0.000 0.000 0.288 353 W C 2.881 179.457 176.519 0.094 0.000 1.218 353 W CA 1.727 59.059 57.345 -0.023 0.000 1.245 353 W CB -1.520 27.825 29.460 -0.192 0.000 1.126 353 W HN 0.938 nan 8.180 nan 0.000 0.545 354 A N 0.102 123.092 122.820 0.284 0.000 2.379 354 A HA 0.115 4.435 4.320 -0.000 0.000 0.236 354 A C 0.972 178.645 177.584 0.148 0.000 1.272 354 A CA -0.263 51.913 52.037 0.230 0.000 0.886 354 A CB -0.659 18.428 19.000 0.145 0.000 0.962 354 A HN 0.069 nan 8.150 nan 0.000 0.504 355 K N 0.682 121.159 120.400 0.129 0.000 2.451 355 K HA 0.336 4.655 4.320 -0.000 0.000 0.280 355 K C 0.418 177.079 176.600 0.101 0.000 1.020 355 K CA 0.672 57.014 56.287 0.091 0.000 1.008 355 K CB 0.215 32.759 32.500 0.073 0.000 0.917 355 K HN 0.249 nan 8.250 nan 0.000 0.478 356 G N 2.324 111.180 108.800 0.093 0.000 2.600 356 G HA2 0.182 4.142 3.960 -0.000 0.000 0.303 356 G HA3 0.182 4.142 3.960 -0.000 0.000 0.303 356 G C -1.249 173.709 174.900 0.097 0.000 1.253 356 G CA -0.974 44.193 45.100 0.111 0.000 0.974 356 G HN 0.838 nan 8.290 nan 0.000 0.483 357 N N 0.647 119.421 118.700 0.123 0.000 2.663 357 N HA 0.447 5.187 4.740 -0.000 0.000 0.250 357 N C 0.757 176.322 175.510 0.090 0.000 1.129 357 N CA 0.494 53.607 53.050 0.105 0.000 0.995 357 N CB -0.217 38.353 38.487 0.138 0.000 1.324 357 N HN 1.119 nan 8.380 nan 0.000 0.512 358 G N 0.551 109.391 108.800 0.067 0.000 2.760 358 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.246 358 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.246 358 G C -0.301 174.630 174.900 0.052 0.000 1.359 358 G CA -0.343 44.788 45.100 0.052 0.000 0.861 358 G HN 0.801 nan 8.290 nan 0.000 0.541 359 V N -1.516 118.422 119.914 0.039 0.000 2.743 359 V HA 0.880 5.000 4.120 -0.000 0.000 0.301 359 V C 1.190 177.307 176.094 0.038 0.000 1.057 359 V CA 0.184 62.505 62.300 0.035 0.000 1.006 359 V CB 0.930 32.765 31.823 0.020 0.000 1.024 359 V HN 2.640 nan 8.190 nan 0.000 0.473 360 A N 3.517 126.364 122.820 0.046 0.000 2.507 360 A HA 0.447 4.767 4.320 -0.000 0.000 0.235 360 A C 0.986 178.592 177.584 0.038 0.000 1.070 360 A CA 0.540 52.608 52.037 0.051 0.000 0.768 360 A CB -0.385 18.660 19.000 0.076 0.000 1.011 360 A HN 2.020 nan 8.150 nan 0.000 0.502 361 S N 0.434 116.151 115.700 0.028 0.000 2.566 361 S HA 0.032 4.502 4.470 -0.000 0.000 0.280 361 S C 0.946 175.556 174.600 0.018 0.000 1.343 361 S CA 0.682 58.886 58.200 0.006 0.000 1.036 361 S CB 0.642 63.826 63.200 -0.026 0.000 0.866 361 S HN 0.949 nan 8.310 nan 0.000 0.526 362 E N 2.838 123.043 120.200 0.009 0.000 2.118 362 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 362 E C 1.910 178.522 176.600 0.020 0.000 0.992 362 E CA 1.903 58.321 56.400 0.031 0.000 0.804 362 E CB -1.086 28.630 29.700 0.028 0.000 0.741 362 E HN 0.841 nan 8.360 nan 0.000 0.458 363 G N 0.240 109.006 108.800 -0.056 0.000 2.394 363 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 363 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 363 G C 1.541 176.408 174.900 -0.055 0.000 1.165 363 G CA 0.966 45.983 45.100 -0.139 0.000 0.784 363 G HN 0.338 nan 8.290 nan 0.000 0.535 364 M N 0.882 120.493 119.600 0.018 0.000 2.108 364 M HA 0.032 4.512 4.480 -0.000 0.000 0.261 364 M C 2.471 178.938 176.300 0.278 0.000 1.066 364 M CA 1.349 56.803 55.300 0.257 0.000 1.107 364 M CB -0.403 32.331 32.600 0.224 0.000 1.356 364 M HN 0.140 nan 8.290 nan 0.000 0.406 365 R N -1.050 119.554 120.500 0.173 0.000 2.092 365 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 365 R C 2.479 178.899 176.300 0.199 0.000 1.119 365 R CA 1.522 57.716 56.100 0.157 0.000 0.970 365 R CB -0.510 29.842 30.300 0.087 0.000 0.864 365 R HN 0.462 nan 8.270 nan 0.000 0.440 366 R N 0.225 120.849 120.500 0.207 0.000 2.096 366 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 366 R C 2.008 178.515 176.300 0.346 0.000 1.127 366 R CA 1.370 57.618 56.100 0.245 0.000 0.968 366 R CB -0.263 30.147 30.300 0.183 0.000 0.861 366 R HN 0.138 nan 8.270 nan 0.000 0.440 367 F N 1.243 121.314 119.950 0.201 0.000 2.075 367 F HA -0.125 4.401 4.527 -0.000 0.000 0.297 367 F C 1.927 177.892 175.800 0.275 0.000 1.113 367 F CA 1.534 59.711 58.000 0.295 0.000 1.218 367 F CB -0.222 38.988 39.000 0.351 0.000 0.984 367 F HN -0.048 nan 8.300 nan 0.000 0.472 368 I N 0.073 120.810 120.570 0.279 0.000 2.208 368 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 368 I C 2.734 178.894 176.117 0.072 0.000 1.097 368 I CA 1.439 62.822 61.300 0.139 0.000 1.363 368 I CB -1.404 36.710 38.000 0.191 0.000 1.051 368 I HN 0.320 nan 8.210 nan 0.000 0.413 369 G N 0.022 108.894 108.800 0.119 0.000 2.440 369 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 369 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 369 G C 1.566 176.499 174.900 0.055 0.000 1.154 369 G CA 0.853 46.013 45.100 0.100 0.000 0.767 369 G HN 0.292 nan 8.290 nan 0.000 0.552 370 Q N 0.137 119.975 119.800 0.063 0.000 2.079 370 Q HA 0.075 4.414 4.340 -0.000 0.000 0.200 370 Q C 2.554 178.496 176.000 -0.096 0.000 0.974 370 Q CA 1.018 56.810 55.803 -0.018 0.000 0.840 370 Q CB -0.409 28.342 28.738 0.021 0.000 0.898 370 Q HN 0.526 nan 8.270 nan 0.000 0.430 371 L N -0.476 120.656 121.223 -0.151 0.000 2.017 371 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 371 L C 2.322 179.147 176.870 -0.075 0.000 1.073 371 L CA 1.046 55.793 54.840 -0.154 0.000 0.745 371 L CB -0.599 41.342 42.059 -0.197 0.000 0.894 371 L HN 0.266 nan 8.230 nan 0.000 0.432 372 L N -0.341 120.859 121.223 -0.038 0.000 2.012 372 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 372 L C 2.527 179.378 176.870 -0.032 0.000 1.073 372 L CA 1.475 56.307 54.840 -0.014 0.000 0.748 372 L CB -0.483 41.587 42.059 0.017 0.000 0.891 372 L HN 0.195 nan 8.230 nan 0.000 0.431 373 I N -0.014 120.534 120.570 -0.037 0.000 2.163 373 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 373 I C 2.222 178.297 176.117 -0.069 0.000 1.085 373 I CA 1.233 62.500 61.300 -0.055 0.000 1.347 373 I CB -0.435 37.541 38.000 -0.041 0.000 1.044 373 I HN 0.339 nan 8.210 nan 0.000 0.408 374 N N 0.703 119.359 118.700 -0.073 0.000 2.166 374 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 374 N C 1.567 177.045 175.510 -0.053 0.000 1.019 374 N CA 1.206 54.212 53.050 -0.073 0.000 0.856 374 N CB -0.776 37.657 38.487 -0.089 0.000 0.993 374 N HN 0.431 nan 8.380 nan 0.000 0.426 375 N N 0.876 119.549 118.700 -0.044 0.000 2.381 375 N HA -0.051 4.689 4.740 -0.000 0.000 0.182 375 N C 1.542 177.052 175.510 0.000 0.000 1.025 375 N CA 0.247 53.284 53.050 -0.023 0.000 0.888 375 N CB 0.105 38.580 38.487 -0.020 0.000 0.965 375 N HN 0.191 nan 8.380 nan 0.000 0.438 376 L N 0.481 121.693 121.223 -0.019 0.000 2.012 376 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 376 L C 2.557 179.470 176.870 0.070 0.000 1.073 376 L CA 0.982 55.822 54.840 0.001 0.000 0.748 376 L CB -0.630 41.272 42.059 -0.262 0.000 0.891 376 L HN 0.097 nan 8.230 nan 0.000 0.431 377 S N -0.683 115.034 115.700 0.027 0.000 2.374 377 S HA -0.303 4.167 4.470 -0.000 0.000 0.227 377 S C 1.952 176.614 174.600 0.103 0.000 1.037 377 S CA 1.707 59.945 58.200 0.063 0.000 1.024 377 S CB -0.253 62.956 63.200 0.016 0.000 0.861 377 S HN 0.376 nan 8.310 nan 0.000 0.456 378 Q N 0.994 120.832 119.800 0.063 0.000 2.123 378 Q HA 0.098 4.438 4.340 -0.000 0.000 0.199 378 Q C 1.843 177.909 176.000 0.109 0.000 0.966 378 Q CA 1.262 57.113 55.803 0.079 0.000 0.845 378 Q CB -0.407 28.344 28.738 0.021 0.000 0.907 378 Q HN 0.604 nan 8.270 nan 0.000 0.439 379 I N 0.407 121.012 120.570 0.058 0.000 2.226 379 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 379 I C 1.591 177.707 176.117 -0.002 0.000 1.100 379 I CA 1.387 62.670 61.300 -0.028 0.000 1.374 379 I CB -0.330 37.562 38.000 -0.181 0.000 1.057 379 I HN 0.170 nan 8.210 nan 0.000 0.413 380 D N -0.028 120.451 120.400 0.130 0.000 2.178 380 D HA -0.225 4.415 4.640 -0.000 0.000 0.201 380 D C 1.901 178.261 176.300 0.100 0.000 0.980 380 D CA 1.130 55.218 54.000 0.147 0.000 0.842 380 D CB -0.231 40.696 40.800 0.211 0.000 0.948 380 D HN 0.390 nan 8.370 nan 0.000 0.472 381 Y N 0.931 121.235 120.300 0.005 0.000 2.145 381 Y HA -0.248 4.301 4.550 -0.000 0.000 0.286 381 Y C 2.123 177.987 175.900 -0.061 0.000 1.145 381 Y CA 1.426 59.526 58.100 -0.001 0.000 1.148 381 Y CB -0.292 38.205 38.460 0.062 0.000 0.981 381 Y HN -0.169 nan 8.280 nan 0.000 0.507 382 V N -0.836 119.143 119.914 0.107 0.000 2.261 382 V HA -0.300 3.819 4.120 -0.000 0.000 0.246 382 V C 2.374 178.363 176.094 -0.175 0.000 1.047 382 V CA 1.691 63.926 62.300 -0.108 0.000 1.015 382 V CB -1.071 30.591 31.823 -0.269 0.000 0.642 382 V HN 0.362 nan 8.190 nan 0.000 0.446 383 V N 1.044 120.865 119.914 -0.155 0.000 2.282 383 V HA -0.340 3.779 4.120 -0.000 0.000 0.249 383 V C 2.406 178.395 176.094 -0.174 0.000 1.057 383 V CA 2.637 64.818 62.300 -0.199 0.000 1.032 383 V CB -0.916 30.780 31.823 -0.211 0.000 0.645 383 V HN 0.725 nan 8.190 nan 0.000 0.447 384 N N -0.171 118.432 118.700 -0.161 0.000 2.244 384 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 384 N C 2.065 177.419 175.510 -0.259 0.000 1.016 384 N CA 1.237 54.187 53.050 -0.167 0.000 0.866 384 N CB 0.057 38.470 38.487 -0.124 0.000 0.980 384 N HN 0.460 nan 8.380 nan 0.000 0.430 385 R N -1.063 119.184 120.500 -0.423 0.000 2.127 385 R HA 0.053 4.393 4.340 -0.000 0.000 0.217 385 R C 1.158 177.066 176.300 -0.653 0.000 1.074 385 R CA 0.842 56.564 56.100 -0.630 0.000 0.991 385 R CB 0.067 29.774 30.300 -0.988 0.000 0.895 385 R HN 0.384 nan 8.270 nan 0.000 0.450 386 H N -1.924 117.044 119.070 -0.170 0.000 3.046 386 H HA 0.242 4.798 4.556 -0.000 0.000 0.262 386 H C 0.967 176.229 175.328 -0.111 0.000 1.044 386 H CA 0.728 56.700 56.048 -0.127 0.000 1.209 386 H CB 1.413 31.088 29.762 -0.145 0.000 1.507 386 H HN 0.375 nan 8.280 nan 0.000 0.507 387 G N 0.825 109.588 108.800 -0.062 0.000 2.176 387 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.252 387 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.252 387 G C 0.672 175.516 174.900 -0.092 0.000 1.024 387 G CA 0.658 45.713 45.100 -0.075 0.000 0.755 387 G HN 0.925 nan 8.290 nan 0.000 0.507 388 G N -0.812 107.908 108.800 -0.134 0.000 2.403 388 G HA2 0.556 4.516 3.960 -0.000 0.000 0.223 388 G HA3 0.556 4.516 3.960 -0.000 0.000 0.223 388 G C 0.064 174.941 174.900 -0.038 0.000 1.287 388 G CA 0.330 45.347 45.100 -0.138 0.000 0.982 388 G HN 1.205 nan 8.290 nan 0.000 0.471 389 R N -0.268 120.291 120.500 0.098 0.000 2.652 389 R HA 0.432 4.772 4.340 -0.000 0.000 0.271 389 R C -0.305 175.937 176.300 -0.097 0.000 1.129 389 R CA -0.424 55.693 56.100 0.027 0.000 1.200 389 R CB 0.159 30.502 30.300 0.073 0.000 1.146 389 R HN 0.516 nan 8.270 nan 0.000 0.581 390 Y N 1.045 121.295 120.300 -0.084 0.000 2.805 390 Y HA -0.017 4.533 4.550 -0.000 0.000 0.337 390 Y C -1.321 174.434 175.900 -0.242 0.000 1.252 390 Y CA -0.674 57.246 58.100 -0.300 0.000 1.515 390 Y CB -0.030 38.279 38.460 -0.251 0.000 1.305 390 Y HN 0.521 nan 8.280 nan 0.000 0.600 391 P HA 0.017 nan 4.420 nan 0.000 0.272 391 P C -2.298 174.980 177.300 -0.037 0.000 1.240 391 P CA -1.477 61.583 63.100 -0.067 0.000 0.791 391 P CB 0.585 32.247 31.700 -0.063 0.000 0.978 392 P HA -0.207 nan 4.420 nan 0.000 0.217 392 P C 1.169 178.447 177.300 -0.036 0.000 1.151 392 P CA 1.768 64.855 63.100 -0.022 0.000 0.849 392 P CB -0.421 31.270 31.700 -0.016 0.000 0.787 393 N N -1.320 117.356 118.700 -0.039 0.000 2.550 393 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 393 N C 0.749 176.213 175.510 -0.078 0.000 1.110 393 N CA 1.159 54.180 53.050 -0.048 0.000 0.912 393 N CB -0.836 37.631 38.487 -0.033 0.000 0.968 393 N HN 0.056 nan 8.380 nan 0.000 0.448 394 D N -0.834 119.507 120.400 -0.099 0.000 2.513 394 D HA 0.239 4.879 4.640 -0.000 0.000 0.222 394 D C 1.245 177.428 176.300 -0.195 0.000 1.210 394 D CA -0.296 53.600 54.000 -0.173 0.000 0.825 394 D CB 0.276 40.954 40.800 -0.203 0.000 1.037 394 D HN 0.030 nan 8.370 nan 0.000 0.506 395 I N -0.137 120.367 120.570 -0.110 0.000 2.339 395 I HA 0.135 4.305 4.170 -0.000 0.000 0.245 395 I C 1.679 177.721 176.117 -0.125 0.000 1.096 395 I CA 0.721 61.973 61.300 -0.081 0.000 1.408 395 I CB -0.797 37.187 38.000 -0.026 0.000 1.092 395 I HN -0.017 nan 8.210 nan 0.000 0.423 396 G N -0.145 108.583 108.800 -0.119 0.000 2.574 396 G HA2 0.150 4.110 3.960 -0.000 0.000 0.248 396 G HA3 0.150 4.110 3.960 -0.000 0.000 0.248 396 G C -0.161 174.607 174.900 -0.220 0.000 1.422 396 G CA -0.369 44.643 45.100 -0.146 0.000 1.051 396 G HN 0.236 nan 8.290 nan 0.000 0.560 397 H N -0.235 118.771 119.070 -0.107 0.000 2.886 397 H HA 0.355 4.911 4.556 -0.000 0.000 0.329 397 H C 0.377 175.592 175.328 -0.188 0.000 1.044 397 H CA 0.923 56.882 56.048 -0.148 0.000 1.456 397 H CB 1.350 31.022 29.762 -0.150 0.000 1.464 397 H HN 0.493 nan 8.280 nan 0.000 0.573 398 A N 3.708 126.467 122.820 -0.101 0.000 2.524 398 A HA 0.139 4.459 4.320 -0.000 0.000 0.267 398 A C 0.212 177.696 177.584 -0.168 0.000 0.881 398 A CA -0.511 51.439 52.037 -0.145 0.000 1.077 398 A CB 0.170 19.089 19.000 -0.135 0.000 1.220 398 A HN 0.599 nan 8.150 nan 0.000 0.488 399 E N 0.098 120.182 120.200 -0.192 0.000 2.442 399 E HA 0.235 4.585 4.350 -0.000 0.000 0.262 399 E C 0.927 177.492 176.600 -0.059 0.000 1.004 399 E CA 0.221 56.541 56.400 -0.134 0.000 0.928 399 E CB 0.529 30.237 29.700 0.014 0.000 0.937 399 E HN 0.298 nan 8.360 nan 0.000 0.446 400 R N 1.163 121.648 120.500 -0.025 0.000 2.175 400 R HA 0.139 4.479 4.340 -0.000 0.000 0.202 400 R C -0.329 176.182 176.300 0.352 0.000 1.018 400 R CA 0.541 56.694 56.100 0.087 0.000 1.029 400 R CB 0.145 30.297 30.300 -0.248 0.000 0.959 400 R HN 0.668 nan 8.270 nan 0.000 0.480 401 Y N -3.256 117.147 120.300 0.173 0.000 2.655 401 Y HA 0.599 5.149 4.550 -0.000 0.000 0.336 401 Y C -0.767 175.061 175.900 -0.120 0.000 1.154 401 Y CA -1.886 56.180 58.100 -0.057 0.000 1.055 401 Y CB 1.008 39.413 38.460 -0.092 0.000 1.295 401 Y HN -0.314 nan 8.280 nan 0.000 0.465 402 I N 2.155 122.615 120.570 -0.183 0.000 2.359 402 I HA 0.409 4.579 4.170 -0.000 0.000 0.294 402 I C -0.259 176.020 176.117 0.271 0.000 0.987 402 I CA -0.625 60.661 61.300 -0.023 0.000 1.225 402 I CB 1.797 39.667 38.000 -0.217 0.000 1.366 402 I HN 0.674 nan 8.210 nan 0.000 0.466 403 S N 6.228 122.130 115.700 0.336 0.000 2.449 403 S HA 0.714 5.184 4.470 -0.000 0.000 0.310 403 S C -0.713 174.081 174.600 0.323 0.000 1.096 403 S CA -0.582 57.861 58.200 0.405 0.000 1.095 403 S CB 1.076 64.569 63.200 0.488 0.000 1.007 403 S HN 0.428 nan 8.310 nan 0.000 0.474 404 V N 2.355 122.391 119.914 0.203 0.000 2.735 404 V HA 1.051 5.171 4.120 -0.000 0.000 0.310 404 V C 0.629 176.677 176.094 -0.077 0.000 1.061 404 V CA 0.272 62.628 62.300 0.093 0.000 0.913 404 V CB 0.634 32.517 31.823 0.100 0.000 1.005 404 V HN 1.440 nan 8.190 nan 0.000 0.428 405 G N 3.159 111.876 108.800 -0.138 0.000 2.659 405 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.214 405 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.214 405 G C -0.109 174.749 174.900 -0.069 0.000 1.191 405 G CA 0.377 45.179 45.100 -0.497 0.000 1.141 405 G HN 0.753 nan 8.290 nan 0.000 0.581 406 D N 2.137 122.446 120.400 -0.152 0.000 2.360 406 D HA 0.445 5.085 4.640 -0.000 0.000 0.210 406 D C 1.388 177.697 176.300 0.014 0.000 1.047 406 D CA 1.965 56.053 54.000 0.146 0.000 0.854 406 D CB 0.352 41.209 40.800 0.094 0.000 0.936 406 D HN 1.794 nan 8.370 nan 0.000 0.514 407 G N 0.551 109.208 108.800 -0.238 0.000 2.787 407 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.685 407 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.685 407 G C -0.725 173.862 174.900 -0.522 0.000 1.437 407 G CA -0.923 43.771 45.100 -0.676 0.000 0.872 407 G HN 0.114 nan 8.290 nan 0.000 0.566 408 F N 0.882 120.694 119.950 -0.229 0.000 2.410 408 F HA 0.372 4.899 4.527 -0.000 0.000 0.349 408 F C 1.445 177.181 175.800 -0.107 0.000 1.117 408 F CA -0.572 57.332 58.000 -0.160 0.000 1.104 408 F CB 1.549 40.452 39.000 -0.162 0.000 1.122 408 F HN 0.432 nan 8.300 nan 0.000 0.483 409 D N 1.978 122.440 120.400 0.103 0.000 2.178 409 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 409 D C 1.486 177.835 176.300 0.081 0.000 0.980 409 D CA 1.465 55.506 54.000 0.068 0.000 0.842 409 D CB 0.091 40.930 40.800 0.066 0.000 0.948 409 D HN 0.621 nan 8.370 nan 0.000 0.472 410 E N -0.391 119.880 120.200 0.118 0.000 2.385 410 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 410 E C 0.846 177.488 176.600 0.070 0.000 1.013 410 E CA 0.123 56.584 56.400 0.101 0.000 0.866 410 E CB 0.615 30.385 29.700 0.117 0.000 0.832 410 E HN 0.159 nan 8.360 nan 0.000 0.500 411 V N -0.948 119.004 119.914 0.064 0.000 2.562 411 V HA 0.329 4.449 4.120 -0.000 0.000 0.274 411 V C -0.569 175.542 176.094 0.029 0.000 1.075 411 V CA -0.740 61.580 62.300 0.033 0.000 1.204 411 V CB 0.187 32.032 31.823 0.036 0.000 1.478 411 V HN -0.063 nan 8.190 nan 0.000 0.622 412 Q N 2.553 122.374 119.800 0.035 0.000 2.571 412 Q HA 0.658 4.998 4.340 -0.000 0.000 0.222 412 Q C -0.856 175.179 176.000 0.059 0.000 1.167 412 Q CA 0.034 55.853 55.803 0.026 0.000 0.966 412 Q CB 1.371 30.128 28.738 0.032 0.000 1.274 412 Q HN 0.762 nan 8.270 nan 0.000 0.552 413 I N 0.905 121.437 120.570 -0.064 0.000 2.533 413 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 413 I C -0.050 175.890 176.117 -0.295 0.000 1.056 413 I CA -1.020 60.142 61.300 -0.229 0.000 1.057 413 I CB 2.138 40.039 38.000 -0.165 0.000 1.240 413 I HN 0.349 nan 8.210 nan 0.000 0.423 414 R N 4.968 125.216 120.500 -0.420 0.000 2.537 414 R HA -0.060 4.280 4.340 -0.000 0.000 0.281 414 R C 0.415 176.524 176.300 -0.318 0.000 0.988 414 R CA 0.676 56.559 56.100 -0.361 0.000 1.077 414 R CB 0.087 30.130 30.300 -0.429 0.000 0.932 414 R HN 0.759 nan 8.270 nan 0.000 0.409 415 N N 1.753 120.287 118.700 -0.277 0.000 2.741 415 N HA -0.232 4.507 4.740 -0.000 0.000 0.251 415 N C 0.313 175.686 175.510 -0.228 0.000 1.112 415 N CA 1.154 54.061 53.050 -0.239 0.000 0.750 415 N CB -0.709 37.618 38.487 -0.268 0.000 1.119 415 N HN 0.580 nan 8.380 nan 0.000 0.561 416 L N -0.931 120.135 121.223 -0.262 0.000 2.168 416 L HA 0.439 4.779 4.340 -0.000 0.000 0.203 416 L C 0.664 177.208 176.870 -0.544 0.000 1.078 416 L CA 1.978 56.609 54.840 -0.349 0.000 0.780 416 L CB -0.004 41.875 42.059 -0.300 0.000 0.939 416 L HN 0.219 nan 8.230 nan 0.000 0.451 417 A N -1.954 120.592 122.820 -0.457 0.000 2.520 417 A HA 0.411 4.731 4.320 -0.000 0.000 0.298 417 A C -1.885 175.645 177.584 -0.089 0.000 1.051 417 A CA -0.456 51.274 52.037 -0.512 0.000 0.690 417 A CB 0.285 18.786 19.000 -0.832 0.000 1.281 417 A HN 0.162 nan 8.150 nan 0.000 0.402 418 Y N 2.081 122.364 120.300 -0.029 0.000 2.336 418 Y HA 0.513 5.063 4.550 -0.000 0.000 0.335 418 Y C -1.027 174.937 175.900 0.106 0.000 1.046 418 Y CA 0.026 58.171 58.100 0.076 0.000 1.198 418 Y CB 0.595 39.157 38.460 0.170 0.000 1.182 418 Y HN 0.670 nan 8.280 nan 0.000 0.502 419 Y N 6.020 126.056 120.300 -0.440 0.000 2.331 419 Y HA 0.732 5.282 4.550 -0.000 0.000 0.334 419 Y C -1.453 174.215 175.900 -0.386 0.000 0.960 419 Y CA -1.699 56.239 58.100 -0.271 0.000 1.130 419 Y CB 0.982 39.350 38.460 -0.153 0.000 1.164 419 Y HN 0.758 nan 8.280 nan 0.000 0.458 420 A N 6.352 128.768 122.820 -0.673 0.000 2.311 420 A HA 0.316 4.636 4.320 -0.000 0.000 0.306 420 A C -1.437 175.680 177.584 -0.779 0.000 1.189 420 A CA -0.683 50.930 52.037 -0.705 0.000 0.791 420 A CB 0.216 19.084 19.000 -0.220 0.000 1.172 420 A HN 0.895 nan 8.150 nan 0.000 0.481 421 H N 3.879 122.284 119.070 -1.108 0.000 2.742 421 H HA 0.536 5.092 4.556 -0.000 0.000 0.302 421 H C -1.265 173.855 175.328 -0.346 0.000 1.069 421 H CA 0.332 55.988 56.048 -0.653 0.000 1.446 421 H CB 0.465 29.877 29.762 -0.584 0.000 1.462 421 H HN 0.693 nan 8.280 nan 0.000 0.499 422 L N 2.666 123.551 121.223 -0.563 0.000 2.653 422 L HA 0.326 4.666 4.340 -0.000 0.000 0.257 422 L C -0.528 176.286 176.870 -0.093 0.000 0.969 422 L CA -0.791 53.892 54.840 -0.262 0.000 0.869 422 L CB 1.735 43.752 42.059 -0.069 0.000 1.439 422 L HN 0.295 nan 8.230 nan 0.000 0.414 423 D N 0.071 120.451 120.400 -0.035 0.000 2.392 423 D HA 0.116 4.756 4.640 -0.000 0.000 0.206 423 D C 0.255 176.560 176.300 0.009 0.000 1.046 423 D CA 1.389 55.388 54.000 -0.001 0.000 0.865 423 D CB 0.918 41.691 40.800 -0.044 0.000 0.969 423 D HN 0.859 nan 8.370 nan 0.000 0.509 424 T N -3.038 111.537 114.554 0.034 0.000 2.903 424 T HA 0.364 4.714 4.350 -0.000 0.000 0.299 424 T C 1.123 175.860 174.700 0.061 0.000 1.093 424 T CA -0.710 61.415 62.100 0.041 0.000 1.002 424 T CB 2.076 70.958 68.868 0.023 0.000 1.127 424 T HN -0.288 nan 8.240 nan 0.000 0.488 425 V N 1.264 121.219 119.914 0.069 0.000 2.358 425 V HA -0.084 4.036 4.120 -0.000 0.000 0.246 425 V C 2.780 178.908 176.094 0.057 0.000 1.047 425 V CA 2.219 64.565 62.300 0.077 0.000 1.035 425 V CB -0.875 30.998 31.823 0.084 0.000 0.658 425 V HN 1.097 nan 8.190 nan 0.000 0.452 426 E N 0.391 120.613 120.200 0.037 0.000 2.114 426 E HA -0.310 4.040 4.350 -0.000 0.000 0.199 426 E C 2.099 178.719 176.600 0.033 0.000 1.008 426 E CA 2.085 58.500 56.400 0.025 0.000 0.810 426 E CB -0.073 29.635 29.700 0.014 0.000 0.739 426 E HN 0.715 nan 8.360 nan 0.000 0.456 427 E N -0.630 119.595 120.200 0.042 0.000 2.299 427 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 427 E C 0.522 177.164 176.600 0.071 0.000 0.998 427 E CA 0.338 56.768 56.400 0.049 0.000 0.851 427 E CB 0.284 30.015 29.700 0.052 0.000 0.795 427 E HN 0.228 nan 8.360 nan 0.000 0.492 428 N N -0.140 118.608 118.700 0.080 0.000 2.480 428 N HA 0.180 4.920 4.740 -0.000 0.000 0.281 428 N C 0.447 176.018 175.510 0.101 0.000 1.381 428 N CA 0.058 53.171 53.050 0.105 0.000 0.903 428 N CB 1.351 39.901 38.487 0.105 0.000 1.274 428 N HN 0.001 nan 8.380 nan 0.000 0.505 429 A N 1.158 124.028 122.820 0.084 0.000 1.940 429 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 429 A C 2.071 179.721 177.584 0.110 0.000 1.176 429 A CA 0.791 52.881 52.037 0.088 0.000 0.631 429 A CB -0.278 18.752 19.000 0.049 0.000 0.814 429 A HN 0.317 nan 8.150 nan 0.000 0.446 430 I N 0.609 121.237 120.570 0.096 0.000 2.226 430 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 430 I C 1.454 177.648 176.117 0.128 0.000 1.100 430 I CA 2.366 63.725 61.300 0.098 0.000 1.374 430 I CB -1.053 36.992 38.000 0.075 0.000 1.057 430 I HN 0.399 nan 8.210 nan 0.000 0.413 431 D N -0.042 120.447 120.400 0.148 0.000 2.144 431 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 431 D C 2.249 178.686 176.300 0.229 0.000 0.984 431 D CA 0.998 55.115 54.000 0.196 0.000 0.834 431 D CB -0.024 40.855 40.800 0.132 0.000 0.955 431 D HN 0.208 nan 8.370 nan 0.000 0.465 432 V N 1.086 121.107 119.914 0.177 0.000 2.379 432 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 432 V C 1.668 177.834 176.094 0.120 0.000 1.044 432 V CA 1.556 63.956 62.300 0.168 0.000 1.036 432 V CB -0.389 31.565 31.823 0.218 0.000 0.664 432 V HN 0.113 nan 8.190 nan 0.000 0.453 433 D N 0.327 120.841 120.400 0.191 0.000 2.123 433 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 433 D C 2.163 178.476 176.300 0.020 0.000 0.992 433 D CA 1.334 55.451 54.000 0.195 0.000 0.833 433 D CB -0.386 40.526 40.800 0.187 0.000 0.954 433 D HN 0.308 nan 8.370 nan 0.000 0.455 434 V N 0.866 120.777 119.914 -0.006 0.000 2.343 434 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 434 V C 2.544 178.410 176.094 -0.380 0.000 1.051 434 V CA 2.019 64.261 62.300 -0.097 0.000 1.036 434 V CB -0.977 30.873 31.823 0.044 0.000 0.654 434 V HN 0.256 nan 8.190 nan 0.000 0.451 435 G N 0.178 108.584 108.800 -0.657 0.000 2.440 435 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 435 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 435 G C 1.476 176.151 174.900 -0.375 0.000 1.154 435 G CA 0.926 45.446 45.100 -0.966 0.000 0.767 435 G HN 0.388 nan 8.290 nan 0.000 0.552 436 I N 1.381 121.756 120.570 -0.325 0.000 2.252 436 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 436 I C 2.917 178.920 176.117 -0.191 0.000 1.102 436 I CA 1.503 62.604 61.300 -0.332 0.000 1.385 436 I CB -1.598 35.988 38.000 -0.690 0.000 1.064 436 I HN 0.117 nan 8.210 nan 0.000 0.414 437 T N 1.871 116.329 114.554 -0.159 0.000 2.635 437 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 437 T C 2.082 176.691 174.700 -0.153 0.000 1.040 437 T CA 1.619 63.648 62.100 -0.117 0.000 1.156 437 T CB -0.414 68.397 68.868 -0.095 0.000 0.863 437 T HN 0.216 nan 8.240 nan 0.000 0.430 438 I N -0.030 120.397 120.570 -0.238 0.000 2.151 438 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 438 I C 1.923 177.871 176.117 -0.281 0.000 1.080 438 I CA 1.557 62.654 61.300 -0.338 0.000 1.339 438 I CB -0.373 37.302 38.000 -0.541 0.000 1.039 438 I HN 0.163 nan 8.210 nan 0.000 0.409 439 F N 0.375 120.171 119.950 -0.258 0.000 2.661 439 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 439 F C 2.472 178.184 175.800 -0.146 0.000 1.137 439 F CA 0.886 58.777 58.000 -0.181 0.000 1.454 439 F CB -0.721 38.175 39.000 -0.173 0.000 1.103 439 F HN -0.024 nan 8.300 nan 0.000 0.577 440 T N -0.092 114.449 114.554 -0.022 0.000 2.777 440 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 440 T C 1.956 176.620 174.700 -0.060 0.000 1.040 440 T CA 1.374 63.450 62.100 -0.041 0.000 1.141 440 T CB -0.090 68.750 68.868 -0.047 0.000 0.868 440 T HN 0.245 nan 8.240 nan 0.000 0.444 441 K N 0.566 120.910 120.400 -0.094 0.000 2.031 441 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 441 K C 2.126 178.656 176.600 -0.117 0.000 1.049 441 K CA 0.817 57.046 56.287 -0.097 0.000 0.939 441 K CB -0.317 32.121 32.500 -0.103 0.000 0.717 441 K HN 0.103 nan 8.250 nan 0.000 0.438 442 L N 1.473 122.581 121.223 -0.191 0.000 2.027 442 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 442 L C 1.613 178.408 176.870 -0.126 0.000 1.074 442 L CA 1.808 56.514 54.840 -0.224 0.000 0.745 442 L CB -0.606 41.156 42.059 -0.495 0.000 0.898 442 L HN 0.189 nan 8.230 nan 0.000 0.433 443 N N -2.017 116.643 118.700 -0.067 0.000 2.646 443 N HA 0.139 4.879 4.740 -0.000 0.000 0.214 443 N C 1.714 177.196 175.510 -0.047 0.000 1.042 443 N CA 0.349 53.389 53.050 -0.016 0.000 0.925 443 N CB -0.123 38.434 38.487 0.118 0.000 1.383 443 N HN 0.045 nan 8.380 nan 0.000 0.439 444 L N 1.054 122.260 121.223 -0.028 0.000 2.083 444 L HA -0.094 4.245 4.340 -0.000 0.000 0.209 444 L C 2.085 178.930 176.870 -0.042 0.000 1.083 444 L CA 1.267 56.084 54.840 -0.038 0.000 0.752 444 L CB -0.641 41.403 42.059 -0.025 0.000 0.899 444 L HN 0.249 nan 8.230 nan 0.000 0.433 445 S N 0.891 116.566 115.700 -0.043 0.000 2.465 445 S HA -0.203 4.267 4.470 -0.000 0.000 0.241 445 S C 1.687 176.262 174.600 -0.041 0.000 1.000 445 S CA 0.972 59.148 58.200 -0.039 0.000 0.964 445 S CB -0.372 62.803 63.200 -0.042 0.000 0.763 445 S HN 0.663 nan 8.310 nan 0.000 0.512 446 R N -0.321 120.148 120.500 -0.052 0.000 2.613 446 R HA 0.493 4.833 4.340 -0.000 0.000 0.361 446 R C 1.176 177.435 176.300 -0.067 0.000 1.072 446 R CA 0.179 56.247 56.100 -0.053 0.000 1.089 446 R CB -0.531 29.739 30.300 -0.051 0.000 1.343 446 R HN 0.408 nan 8.270 nan 0.000 0.571 447 G N 1.433 110.193 108.800 -0.067 0.000 2.162 447 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.260 447 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.260 447 G C -0.060 174.765 174.900 -0.125 0.000 0.976 447 G CA 0.261 45.317 45.100 -0.074 0.000 0.655 447 G HN 0.273 nan 8.290 nan 0.000 0.533 448 L N 0.938 122.051 121.223 -0.183 0.000 2.312 448 L HA 0.430 4.770 4.340 -0.000 0.000 0.281 448 L C -1.700 175.002 176.870 -0.279 0.000 1.070 448 L CA -2.247 52.369 54.840 -0.373 0.000 0.805 448 L CB 1.431 43.201 42.059 -0.482 0.000 1.174 448 L HN -0.103 nan 8.230 nan 0.000 0.434 449 P HA 0.133 nan 4.420 nan 0.000 0.273 449 P C -0.680 176.655 177.300 0.058 0.000 1.250 449 P CA -0.155 62.918 63.100 -0.046 0.000 0.793 449 P CB 0.595 32.368 31.700 0.123 0.000 1.011 450 I N 2.633 123.223 120.570 0.035 0.000 2.312 450 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 450 I C -2.086 173.984 176.117 -0.079 0.000 1.031 450 I CA -2.257 59.027 61.300 -0.026 0.000 1.293 450 I CB 1.230 39.115 38.000 -0.193 0.000 1.403 450 I HN 0.132 nan 8.210 nan 0.000 0.484 451 P HA 0.431 nan 4.420 nan 0.000 0.292 451 P C -0.771 176.421 177.300 -0.180 0.000 1.287 451 P CA -0.240 62.827 63.100 -0.057 0.000 0.800 451 P CB 1.163 32.888 31.700 0.040 0.000 0.945 452 I N 2.180 122.627 120.570 -0.206 0.000 2.466 452 I HA 0.545 4.714 4.170 -0.000 0.000 0.289 452 I C -0.038 176.116 176.117 0.062 0.000 1.026 452 I CA -0.982 60.247 61.300 -0.119 0.000 1.078 452 I CB 2.136 39.983 38.000 -0.253 0.000 1.249 452 I HN 0.272 nan 8.210 nan 0.000 0.429 453 A N 7.841 130.753 122.820 0.153 0.000 2.260 453 A HA 0.772 5.092 4.320 -0.000 0.000 0.314 453 A C -0.546 177.182 177.584 0.240 0.000 1.257 453 A CA -0.377 51.781 52.037 0.203 0.000 0.871 453 A CB 0.296 19.417 19.000 0.201 0.000 1.166 453 A HN 0.686 nan 8.150 nan 0.000 0.522 454 I N 2.653 123.358 120.570 0.225 0.000 2.321 454 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 454 I C -0.335 175.815 176.117 0.055 0.000 0.998 454 I CA -0.214 61.164 61.300 0.130 0.000 1.227 454 I CB 1.175 39.303 38.000 0.215 0.000 1.368 454 I HN 0.808 nan 8.210 nan 0.000 0.466 455 H N 6.018 124.870 119.070 -0.363 0.000 2.877 455 H HA 0.549 5.105 4.556 -0.000 0.000 0.347 455 H C -1.887 173.089 175.328 -0.587 0.000 1.042 455 H CA -0.477 55.333 56.048 -0.397 0.000 1.276 455 H CB 1.127 30.459 29.762 -0.718 0.000 1.681 455 H HN 0.393 nan 8.280 nan 0.000 0.521 456 Y N 2.706 122.709 120.300 -0.495 0.000 2.545 456 Y HA 0.549 5.099 4.550 -0.000 0.000 0.348 456 Y C -0.135 175.558 175.900 -0.345 0.000 1.002 456 Y CA -1.279 56.629 58.100 -0.320 0.000 1.039 456 Y CB 1.533 39.925 38.460 -0.112 0.000 1.271 456 Y HN 0.394 nan 8.280 nan 0.000 0.467 457 R N 1.639 122.159 120.500 0.033 0.000 2.486 457 R HA 0.395 4.735 4.340 -0.000 0.000 0.286 457 R C -1.240 175.135 176.300 0.125 0.000 0.999 457 R CA -0.788 55.322 56.100 0.017 0.000 0.993 457 R CB 0.992 31.291 30.300 -0.002 0.000 1.084 457 R HN 0.825 nan 8.270 nan 0.000 0.487 458 Y N -2.216 118.082 120.300 -0.004 0.000 2.634 458 Y HA 0.505 5.054 4.550 -0.000 0.000 0.340 458 Y C -0.839 175.065 175.900 0.007 0.000 1.058 458 Y CA -1.488 56.612 58.100 -0.001 0.000 1.081 458 Y CB 1.426 39.880 38.460 -0.009 0.000 1.295 458 Y HN 0.331 nan 8.280 nan 0.000 0.487 459 D N 2.939 123.395 120.400 0.092 0.000 2.427 459 D HA 0.330 4.970 4.640 -0.000 0.000 0.226 459 D C -1.888 174.489 176.300 0.129 0.000 1.076 459 D CA -2.835 51.166 54.000 0.002 0.000 0.849 459 D CB 1.676 42.497 40.800 0.036 0.000 1.052 459 D HN 0.410 nan 8.370 nan 0.000 0.515 460 P HA -0.091 nan 4.420 nan 0.000 0.222 460 P C 0.547 177.914 177.300 0.112 0.000 1.147 460 P CA 0.556 63.769 63.100 0.189 0.000 0.790 460 P CB 0.525 32.276 31.700 0.084 0.000 0.780 461 N N -0.276 118.460 118.700 0.059 0.000 2.494 461 N HA -0.000 4.740 4.740 -0.000 0.000 0.182 461 N C 0.342 175.884 175.510 0.052 0.000 1.076 461 N CA 0.406 53.484 53.050 0.048 0.000 0.908 461 N CB -0.142 38.362 38.487 0.029 0.000 0.967 461 N HN 0.101 nan 8.380 nan 0.000 0.449 462 V N 3.405 123.360 119.914 0.069 0.000 2.348 462 V HA 0.234 4.354 4.120 -0.000 0.000 0.270 462 V C -2.122 174.007 176.094 0.058 0.000 1.037 462 V CA -1.746 60.589 62.300 0.059 0.000 0.872 462 V CB 1.074 32.932 31.823 0.058 0.000 1.002 462 V HN -0.085 nan 8.190 nan 0.000 0.464 463 P HA 0.185 nan 4.420 nan 0.000 0.261 463 P C 1.089 178.399 177.300 0.017 0.000 1.183 463 P CA 1.371 64.486 63.100 0.026 0.000 0.761 463 P CB 0.582 32.293 31.700 0.018 0.000 0.785 464 G N 2.489 111.291 108.800 0.003 0.000 2.234 464 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 464 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 464 G C 1.547 176.437 174.900 -0.016 0.000 0.987 464 G CA 0.632 45.724 45.100 -0.013 0.000 0.625 464 G HN 0.560 nan 8.290 nan 0.000 0.532 465 S N 0.032 115.744 115.700 0.019 0.000 2.359 465 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 465 S C 2.293 176.882 174.600 -0.019 0.000 1.035 465 S CA 1.973 60.200 58.200 0.046 0.000 1.018 465 S CB -0.272 63.011 63.200 0.138 0.000 0.876 465 S HN 0.659 nan 8.310 nan 0.000 0.448 466 R N 0.721 121.132 120.500 -0.149 0.000 2.083 466 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 466 R C 2.334 178.459 176.300 -0.292 0.000 1.137 466 R CA 1.929 57.712 56.100 -0.528 0.000 0.951 466 R CB -0.342 29.512 30.300 -0.744 0.000 0.851 466 R HN 0.585 nan 8.270 nan 0.000 0.434 467 E N 0.428 120.524 120.200 -0.173 0.000 2.106 467 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 467 E C 1.962 178.505 176.600 -0.095 0.000 0.984 467 E CA 1.033 57.361 56.400 -0.120 0.000 0.806 467 E CB -0.388 29.262 29.700 -0.082 0.000 0.750 467 E HN 0.422 nan 8.360 nan 0.000 0.458 468 R N 0.515 120.967 120.500 -0.080 0.000 2.092 468 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 468 R C 2.349 178.591 176.300 -0.097 0.000 1.119 468 R CA 1.715 57.772 56.100 -0.072 0.000 0.970 468 R CB -0.353 29.917 30.300 -0.051 0.000 0.864 468 R HN 0.186 nan 8.270 nan 0.000 0.440 469 T N 0.514 115.008 114.554 -0.100 0.000 2.857 469 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 469 T C 1.987 176.627 174.700 -0.100 0.000 1.048 469 T CA 0.956 62.989 62.100 -0.112 0.000 1.139 469 T CB -0.035 68.817 68.868 -0.026 0.000 0.874 469 T HN -0.014 nan 8.240 nan 0.000 0.455 470 V N 1.358 121.214 119.914 -0.096 0.000 2.358 470 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 470 V C 2.679 178.741 176.094 -0.053 0.000 1.047 470 V CA 1.190 63.450 62.300 -0.066 0.000 1.035 470 V CB -0.730 31.040 31.823 -0.087 0.000 0.658 470 V HN 0.301 nan 8.190 nan 0.000 0.452 471 V N 0.212 120.086 119.914 -0.065 0.000 2.332 471 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 471 V C 2.436 178.495 176.094 -0.058 0.000 1.055 471 V CA 2.560 64.829 62.300 -0.053 0.000 1.038 471 V CB -0.727 31.064 31.823 -0.053 0.000 0.651 471 V HN 0.597 nan 8.190 nan 0.000 0.450 472 K N 0.357 120.691 120.400 -0.109 0.000 2.002 472 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 472 K C 2.230 178.782 176.600 -0.079 0.000 1.048 472 K CA 1.665 57.852 56.287 -0.166 0.000 0.930 472 K CB -0.449 31.825 32.500 -0.376 0.000 0.714 472 K HN 0.397 nan 8.250 nan 0.000 0.438 473 A N 1.484 124.302 122.820 -0.003 0.000 1.917 473 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 473 A C 2.107 179.771 177.584 0.134 0.000 1.182 473 A CA 1.807 53.959 52.037 0.192 0.000 0.633 473 A CB -0.553 18.564 19.000 0.194 0.000 0.819 473 A HN 0.389 nan 8.150 nan 0.000 0.448 474 R N -1.103 119.434 120.500 0.062 0.000 2.115 474 R HA -0.013 4.327 4.340 -0.000 0.000 0.226 474 R C 2.454 178.819 176.300 0.108 0.000 1.100 474 R CA 1.075 57.219 56.100 0.074 0.000 0.980 474 R CB -0.252 30.059 30.300 0.019 0.000 0.875 474 R HN 0.493 nan 8.270 nan 0.000 0.445 475 R N 0.451 120.984 120.500 0.056 0.000 2.073 475 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 475 R C 2.221 178.555 176.300 0.057 0.000 1.134 475 R CA 1.182 57.305 56.100 0.037 0.000 0.952 475 R CB -0.251 30.052 30.300 0.006 0.000 0.850 475 R HN 0.138 nan 8.270 nan 0.000 0.433 476 I N 0.139 120.771 120.570 0.103 0.000 2.179 476 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 476 I C 2.313 178.491 176.117 0.101 0.000 1.088 476 I CA 1.365 62.748 61.300 0.139 0.000 1.357 476 I CB -1.255 36.891 38.000 0.243 0.000 1.051 476 I HN 0.168 nan 8.210 nan 0.000 0.409 477 Y N 2.864 123.120 120.300 -0.072 0.000 2.081 477 Y HA -0.292 4.258 4.550 -0.000 0.000 0.280 477 Y C 2.473 178.184 175.900 -0.315 0.000 1.163 477 Y CA 2.026 59.919 58.100 -0.346 0.000 1.135 477 Y CB -0.602 37.646 38.460 -0.353 0.000 0.970 477 Y HN 0.214 nan 8.280 nan 0.000 0.498 478 N N 0.373 118.891 118.700 -0.303 0.000 2.244 478 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 478 N C 1.931 177.325 175.510 -0.194 0.000 1.016 478 N CA 1.303 54.160 53.050 -0.322 0.000 0.866 478 N CB -0.500 37.928 38.487 -0.098 0.000 0.980 478 N HN 0.557 nan 8.380 nan 0.000 0.430 479 A N 1.289 124.056 122.820 -0.089 0.000 1.897 479 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 479 A C 2.289 179.880 177.584 0.011 0.000 1.181 479 A CA 0.637 52.657 52.037 -0.029 0.000 0.620 479 A CB -0.455 18.552 19.000 0.011 0.000 0.821 479 A HN 0.154 nan 8.150 nan 0.000 0.443 480 I N -0.610 120.001 120.570 0.068 0.000 2.252 480 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 480 I C 2.459 178.718 176.117 0.237 0.000 1.102 480 I CA 1.520 62.965 61.300 0.243 0.000 1.385 480 I CB -0.342 37.899 38.000 0.402 0.000 1.064 480 I HN 0.268 nan 8.210 nan 0.000 0.414 481 K N 0.872 121.289 120.400 0.027 0.000 2.063 481 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 481 K C 2.016 178.619 176.600 0.006 0.000 1.048 481 K CA 1.755 58.041 56.287 -0.002 0.000 0.928 481 K CB -0.106 32.219 32.500 -0.293 0.000 0.713 481 K HN 0.363 nan 8.250 nan 0.000 0.442 482 E N -0.132 120.037 120.200 -0.051 0.000 2.106 482 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 482 E C 2.074 178.618 176.600 -0.092 0.000 0.984 482 E CA 0.682 57.048 56.400 -0.058 0.000 0.806 482 E CB 0.030 29.691 29.700 -0.065 0.000 0.750 482 E HN 0.189 nan 8.360 nan 0.000 0.458 483 R N 0.160 120.580 120.500 -0.134 0.000 2.115 483 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 483 R C 0.201 176.092 176.300 -0.681 0.000 1.111 483 R CA 0.927 56.795 56.100 -0.386 0.000 0.976 483 R CB 0.147 30.191 30.300 -0.427 0.000 0.870 483 R HN 0.059 nan 8.270 nan 0.000 0.445 484 F N 0.586 120.550 119.950 0.024 0.000 2.627 484 F HA 0.210 4.737 4.527 -0.000 0.000 0.329 484 F C 1.230 177.047 175.800 0.028 0.000 1.378 484 F CA -0.586 57.429 58.000 0.025 0.000 1.134 484 F CB 1.243 40.262 39.000 0.031 0.000 1.229 484 F HN 0.004 nan 8.300 nan 0.000 0.537 485 S N -1.360 114.385 115.700 0.075 0.000 2.402 485 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 485 S C 2.054 176.699 174.600 0.075 0.000 1.021 485 S CA 1.379 59.617 58.200 0.063 0.000 0.974 485 S CB -0.505 62.703 63.200 0.014 0.000 0.800 485 S HN 0.445 nan 8.310 nan 0.000 0.484 486 S N 2.172 117.918 115.700 0.077 0.000 2.387 486 S HA 0.107 4.577 4.470 -0.000 0.000 0.226 486 S C 1.726 176.378 174.600 0.085 0.000 1.026 486 S CA 0.533 58.775 58.200 0.070 0.000 0.972 486 S CB -0.704 62.530 63.200 0.057 0.000 0.814 486 S HN 0.292 nan 8.310 nan 0.000 0.477 487 L N 2.797 124.090 121.223 0.117 0.000 2.042 487 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 487 L C 2.308 179.239 176.870 0.101 0.000 1.076 487 L CA 1.878 56.779 54.840 0.102 0.000 0.749 487 L CB -1.284 40.842 42.059 0.111 0.000 0.893 487 L HN 0.325 nan 8.230 nan 0.000 0.432 488 D N -0.940 119.539 120.400 0.132 0.000 2.144 488 D HA -0.239 4.401 4.640 -0.000 0.000 0.200 488 D C 2.147 178.512 176.300 0.109 0.000 0.978 488 D CA 1.089 55.172 54.000 0.139 0.000 0.833 488 D CB 0.138 41.029 40.800 0.151 0.000 0.961 488 D HN 0.434 nan 8.370 nan 0.000 0.470 489 E N -0.106 120.146 120.200 0.086 0.000 2.153 489 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 489 E C 1.647 178.289 176.600 0.070 0.000 0.988 489 E CA 1.116 57.559 56.400 0.071 0.000 0.811 489 E CB -0.077 29.657 29.700 0.056 0.000 0.746 489 E HN 0.383 nan 8.360 nan 0.000 0.466 490 Q N -0.118 119.723 119.800 0.069 0.000 2.365 490 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 490 Q C -0.284 175.757 176.000 0.069 0.000 0.929 490 Q CA 0.138 55.976 55.803 0.060 0.000 0.948 490 Q CB 0.325 29.091 28.738 0.047 0.000 1.043 490 Q HN 0.285 nan 8.270 nan 0.000 0.505 491 N N 0.032 118.785 118.700 0.088 0.000 2.725 491 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 491 N C -0.048 175.517 175.510 0.091 0.000 1.103 491 N CA 0.677 53.791 53.050 0.107 0.000 0.707 491 N CB -1.315 37.238 38.487 0.110 0.000 1.043 491 N HN 0.364 nan 8.380 nan 0.000 0.553 492 L N -0.292 120.971 121.223 0.067 0.000 2.611 492 L HA 0.228 4.568 4.340 -0.000 0.000 0.229 492 L C 0.410 177.278 176.870 -0.004 0.000 1.137 492 L CA 0.367 55.226 54.840 0.032 0.000 0.901 492 L CB 0.154 42.222 42.059 0.014 0.000 1.098 492 L HN 0.089 nan 8.230 nan 0.000 0.456 493 L N 0.621 121.842 121.223 -0.003 0.000 2.343 493 L HA 0.417 4.757 4.340 -0.000 0.000 0.278 493 L C -0.563 176.215 176.870 -0.155 0.000 0.996 493 L CA -0.422 54.311 54.840 -0.178 0.000 0.831 493 L CB 1.639 43.588 42.059 -0.184 0.000 1.232 493 L HN 0.004 nan 8.230 nan 0.000 0.413 494 Q N 3.774 123.450 119.800 -0.207 0.000 2.348 494 Q HA 0.514 4.854 4.340 -0.000 0.000 0.265 494 Q C -1.083 174.830 176.000 -0.144 0.000 0.998 494 Q CA -0.269 55.518 55.803 -0.027 0.000 0.831 494 Q CB 2.436 31.238 28.738 0.106 0.000 1.251 494 Q HN 0.354 nan 8.270 nan 0.000 0.456 495 F N 1.132 121.167 119.950 0.143 0.000 2.470 495 F HA 0.560 5.087 4.527 -0.000 0.000 0.329 495 F C 0.760 176.595 175.800 0.059 0.000 1.072 495 F CA -0.763 57.319 58.000 0.136 0.000 0.989 495 F CB 1.501 40.663 39.000 0.271 0.000 1.193 495 F HN 0.141 nan 8.300 nan 0.000 0.481 496 R N 2.557 123.202 120.500 0.242 0.000 2.538 496 R HA 0.560 4.900 4.340 -0.000 0.000 0.292 496 R C -2.185 174.209 176.300 0.157 0.000 1.008 496 R CA -0.725 55.450 56.100 0.124 0.000 0.896 496 R CB 1.497 31.806 30.300 0.015 0.000 1.187 496 R HN 0.592 nan 8.270 nan 0.000 0.440 497 L N 2.415 123.699 121.223 0.102 0.000 2.325 497 L HA 0.593 4.933 4.340 -0.000 0.000 0.278 497 L C 0.060 177.009 176.870 0.131 0.000 1.023 497 L CA -0.167 54.742 54.840 0.115 0.000 0.811 497 L CB 1.805 43.889 42.059 0.042 0.000 1.249 497 L HN 0.843 nan 8.230 nan 0.000 0.431 498 S N 0.635 116.455 115.700 0.199 0.000 2.625 498 S HA 0.926 5.396 4.470 -0.000 0.000 0.271 498 S C -1.181 173.531 174.600 0.185 0.000 1.161 498 S CA -0.785 57.564 58.200 0.249 0.000 0.820 498 S CB 1.874 65.308 63.200 0.390 0.000 1.137 498 S HN 0.292 nan 8.310 nan 0.000 0.470 499 V N 0.596 120.602 119.914 0.154 0.000 3.147 499 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 499 V C -1.531 174.686 176.094 0.205 0.000 1.209 499 V CA -0.365 61.981 62.300 0.076 0.000 1.023 499 V CB 2.149 34.029 31.823 0.095 0.000 1.059 499 V HN 1.031 nan 8.190 nan 0.000 0.435 500 Q N 1.910 121.828 119.800 0.196 0.000 2.364 500 Q HA 0.654 4.993 4.340 -0.000 0.000 0.257 500 Q C -0.761 175.129 176.000 -0.183 0.000 0.956 500 Q CA -0.392 55.490 55.803 0.132 0.000 0.924 500 Q CB 2.005 30.873 28.738 0.216 0.000 1.413 500 Q HN 1.183 nan 8.270 nan 0.000 0.418 501 A N 2.562 125.118 122.820 -0.441 0.000 2.561 501 A HA -0.066 4.254 4.320 -0.000 0.000 0.234 501 A C 1.105 178.502 177.584 -0.312 0.000 1.055 501 A CA 0.791 52.409 52.037 -0.698 0.000 0.756 501 A CB 0.249 18.976 19.000 -0.456 0.000 0.986 501 A HN 0.920 nan 8.150 nan 0.000 0.505 502 Q N 1.055 120.688 119.800 -0.278 0.000 2.234 502 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 502 Q C -0.521 175.430 176.000 -0.082 0.000 0.980 502 Q CA 1.190 56.917 55.803 -0.126 0.000 0.869 502 Q CB -0.457 28.226 28.738 -0.091 0.000 0.912 502 Q HN 0.690 nan 8.270 nan 0.000 0.436 503 D N 1.699 122.045 120.400 -0.090 0.000 2.455 503 D HA 0.090 4.730 4.640 -0.000 0.000 0.241 503 D C 0.156 176.436 176.300 -0.033 0.000 1.138 503 D CA -0.073 53.892 54.000 -0.057 0.000 0.877 503 D CB 0.562 41.332 40.800 -0.049 0.000 1.187 503 D HN 0.107 nan 8.370 nan 0.000 0.451 504 I N 1.376 121.934 120.570 -0.021 0.000 2.775 504 I HA 0.113 4.283 4.170 -0.000 0.000 0.290 504 I C 1.862 177.983 176.117 0.007 0.000 1.203 504 I CA 0.498 61.798 61.300 0.001 0.000 1.433 504 I CB -0.282 37.717 38.000 -0.001 0.000 1.354 504 I HN 0.741 nan 8.210 nan 0.000 0.579 505 G N 4.336 113.150 108.800 0.023 0.000 2.195 505 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.246 505 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.246 505 G C 0.501 175.415 174.900 0.022 0.000 0.984 505 G CA 0.199 45.313 45.100 0.023 0.000 0.633 505 G HN 0.613 nan 8.290 nan 0.000 0.525 506 S N 3.144 118.855 115.700 0.018 0.000 2.568 506 S HA 0.444 4.914 4.470 -0.000 0.000 0.282 506 S C -1.443 173.185 174.600 0.047 0.000 1.338 506 S CA -0.132 58.077 58.200 0.016 0.000 1.045 506 S CB 1.126 64.314 63.200 -0.019 0.000 0.873 506 S HN 0.472 nan 8.310 nan 0.000 0.516 507 P HA 0.168 nan 4.420 nan 0.000 0.269 507 P C -0.698 176.670 177.300 0.112 0.000 1.209 507 P CA -0.104 63.036 63.100 0.067 0.000 0.776 507 P CB 0.326 32.059 31.700 0.054 0.000 0.876 508 I N 2.389 123.033 120.570 0.123 0.000 2.352 508 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 508 I C 0.764 176.973 176.117 0.153 0.000 1.036 508 I CA -0.144 61.273 61.300 0.194 0.000 1.336 508 I CB 0.345 38.463 38.000 0.197 0.000 1.407 508 I HN 0.218 nan 8.210 nan 0.000 0.497 509 E N 6.565 126.875 120.200 0.183 0.000 2.055 509 E HA 0.267 4.617 4.350 -0.000 0.000 0.274 509 E C -0.839 175.830 176.600 0.116 0.000 0.949 509 E CA -0.542 55.933 56.400 0.126 0.000 0.775 509 E CB 0.956 30.732 29.700 0.128 0.000 1.097 509 E HN 0.491 nan 8.360 nan 0.000 0.404 510 E N 1.537 121.781 120.200 0.073 0.000 2.398 510 E HA 0.194 4.544 4.350 -0.000 0.000 0.263 510 E C -0.357 176.260 176.600 0.030 0.000 1.046 510 E CA -0.256 56.176 56.400 0.053 0.000 0.908 510 E CB 1.162 30.868 29.700 0.010 0.000 0.963 510 E HN 0.294 nan 8.360 nan 0.000 0.431 511 V N -0.584 119.342 119.914 0.020 0.000 2.760 511 V HA 0.755 4.875 4.120 -0.000 0.000 0.309 511 V C -0.339 175.731 176.094 -0.041 0.000 1.077 511 V CA -0.884 61.410 62.300 -0.010 0.000 0.910 511 V CB 1.568 33.384 31.823 -0.011 0.000 1.008 511 V HN 0.764 nan 8.190 nan 0.000 0.424 512 A N 3.711 126.498 122.820 -0.056 0.000 2.425 512 A HA 0.532 4.852 4.320 -0.000 0.000 0.242 512 A C 1.496 178.980 177.584 -0.167 0.000 1.077 512 A CA 0.321 52.306 52.037 -0.087 0.000 0.781 512 A CB 0.564 19.528 19.000 -0.060 0.000 1.020 512 A HN 2.118 nan 8.150 nan 0.000 0.494 513 S N 0.546 116.074 115.700 -0.286 0.000 2.474 513 S HA 0.316 4.786 4.470 -0.000 0.000 0.235 513 S C 0.756 175.135 174.600 -0.368 0.000 0.997 513 S CA 0.884 58.718 58.200 -0.609 0.000 0.949 513 S CB -0.485 62.069 63.200 -1.076 0.000 0.766 513 S HN 1.847 nan 8.310 nan 0.000 0.517 514 A N 0.000 122.715 122.820 -0.175 0.000 2.254 514 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 514 A CA 0.000 51.992 52.037 -0.075 0.000 0.836 514 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 514 A HN 0.000 nan 8.150 nan 0.000 0.486