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 2omz_1_A DATA FIRST_RESID 32 DATA SEQUENCE PLGSATITQD TPINQIFTDT ALAEKMKTVL GKTNVTDTVS QTDLDQVTTL DATA SEQUENCE QADRLGIKSI DGVEYLNNLT QINFSNNQLT DITPLKNLTK LVDILMNNNQ DATA SEQUENCE IADITPLANL TNLTGLTLFN NQITDIDPLK NLTNLNRLEL SSNTISDISA DATA SEQUENCE LSGLTSLQQL SFGNQVTDLK PLANLTTLER LDISSNKVSD ISVLAKLTNL DATA SEQUENCE ESLIATNNQI SDITPLGILT NLDELSLNGN QLKDIGTLAS LTNLTDLDLA DATA SEQUENCE NNQISNLAPL SGLTKLTELK LGANQISNIS PLAGLTALTN LELNENQLED DATA SEQUENCE ISPISNLKNL TYLTLYFNNI SDISPVSSLT KLQRLFFANN KVSDVSSLAN DATA SEQUENCE LTNINWLSAG HNQISDLTPL ANLTRITQLG LNDQAWTNAP VNYKANVSIP DATA SEQUENCE NTVKNVTGAL IAPATISDGG SYTEPDITWN LPSYTNEVSY TFSQPVTIGK DATA SEQUENCE GTTTFSGTVT QPLKGG 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.302 177.300 0.003 0.000 1.155 32 P CA 0.000 63.105 63.100 0.009 0.000 0.800 32 P CB 0.000 31.706 31.700 0.010 0.000 0.726 33 L N 1.350 122.573 121.223 0.000 0.000 2.462 33 L HA 0.371 4.711 4.340 0.000 0.000 0.272 33 L C 1.532 178.397 176.870 -0.009 0.000 1.166 33 L CA 1.765 56.602 54.840 -0.004 0.000 0.880 33 L CB 0.129 42.187 42.059 -0.003 0.000 1.142 33 L HN 0.943 nan 8.230 nan 0.000 0.473 34 G N 1.939 110.730 108.800 -0.015 0.000 2.320 34 G HA2 -0.330 3.631 3.960 0.000 0.000 0.242 34 G HA3 -0.330 3.631 3.960 0.000 0.000 0.242 34 G C 0.401 175.279 174.900 -0.037 0.000 1.033 34 G CA 0.262 45.347 45.100 -0.025 0.000 0.620 34 G HN 0.779 nan 8.290 nan 0.000 0.517 35 S N 0.611 116.294 115.700 -0.029 0.000 2.579 35 S HA 0.650 5.120 4.470 0.000 0.000 0.275 35 S C 0.337 174.904 174.600 -0.056 0.000 1.345 35 S CA 0.704 58.880 58.200 -0.039 0.000 1.031 35 S CB 1.757 64.951 63.200 -0.010 0.000 0.892 35 S HN 1.979 nan 8.310 nan 0.000 0.529 36 A N 2.703 125.452 122.820 -0.118 0.000 2.260 36 A HA 0.685 5.005 4.320 0.000 0.000 0.314 36 A C 0.433 178.039 177.584 0.036 0.000 1.257 36 A CA -0.475 51.450 52.037 -0.188 0.000 0.871 36 A CB 0.322 18.945 19.000 -0.628 0.000 1.166 36 A HN 1.274 nan 8.150 nan 0.000 0.522 37 T N -0.060 114.627 114.554 0.222 0.000 2.909 37 T HA 0.653 5.003 4.350 0.000 0.000 0.299 37 T C -0.248 174.593 174.700 0.236 0.000 1.073 37 T CA -0.575 61.701 62.100 0.294 0.000 0.999 37 T CB 0.942 69.886 68.868 0.127 0.000 1.098 37 T HN 0.978 nan 8.240 nan 0.000 0.477 38 I N 0.687 121.288 120.570 0.051 0.000 2.365 38 I HA 0.501 4.671 4.170 0.000 0.000 0.291 38 I C 1.278 177.378 176.117 -0.027 0.000 1.004 38 I CA -0.739 60.506 61.300 -0.091 0.000 1.311 38 I CB 1.423 39.261 38.000 -0.270 0.000 1.401 38 I HN 0.890 nan 8.210 nan 0.000 0.491 39 T N 1.375 115.917 114.554 -0.020 0.000 3.044 39 T HA 0.179 4.530 4.350 0.000 0.000 0.255 39 T C 0.712 175.401 174.700 -0.018 0.000 1.073 39 T CA 0.355 62.450 62.100 -0.008 0.000 1.125 39 T CB -0.026 68.842 68.868 0.000 0.000 0.908 39 T HN 0.774 nan 8.240 nan 0.000 0.480 40 Q N 1.100 120.880 119.800 -0.033 0.000 2.387 40 Q HA 0.424 4.764 4.340 0.000 0.000 0.273 40 Q C -1.551 174.421 176.000 -0.047 0.000 1.089 40 Q CA -1.094 54.689 55.803 -0.033 0.000 0.824 40 Q CB 1.576 30.296 28.738 -0.030 0.000 1.367 40 Q HN 0.179 nan 8.270 nan 0.000 0.443 41 D N 1.941 122.321 120.400 -0.035 0.000 2.450 41 D HA 0.115 4.755 4.640 0.000 0.000 0.247 41 D C -0.751 175.522 176.300 -0.045 0.000 1.162 41 D CA 0.800 54.779 54.000 -0.036 0.000 0.879 41 D CB 0.695 41.483 40.800 -0.020 0.000 1.163 41 D HN 0.246 nan 8.370 nan 0.000 0.472 42 T N 3.130 117.647 114.554 -0.062 0.000 2.863 42 T HA 0.450 4.800 4.350 0.000 0.000 0.285 42 T C -2.522 172.150 174.700 -0.048 0.000 1.009 42 T CA -1.632 60.425 62.100 -0.072 0.000 0.989 42 T CB 1.954 70.740 68.868 -0.137 0.000 1.004 42 T HN 0.031 nan 8.240 nan 0.000 0.455 43 P HA 0.185 nan 4.420 nan 0.000 0.265 43 P C 0.803 178.113 177.300 0.016 0.000 1.187 43 P CA -0.013 63.086 63.100 -0.003 0.000 0.766 43 P CB 0.413 32.112 31.700 -0.001 0.000 0.820 44 I N 2.241 122.850 120.570 0.066 0.000 2.194 44 I HA -0.311 3.859 4.170 0.000 0.000 0.246 44 I C 2.027 178.260 176.117 0.193 0.000 1.093 44 I CA 1.757 63.158 61.300 0.168 0.000 1.355 44 I CB -0.541 37.554 38.000 0.158 0.000 1.046 44 I HN 0.486 nan 8.210 nan 0.000 0.413 45 N N 0.823 119.590 118.700 0.110 0.000 2.512 45 N HA -0.204 4.536 4.740 0.000 0.000 0.183 45 N C 1.500 177.042 175.510 0.053 0.000 1.073 45 N CA 1.152 54.260 53.050 0.096 0.000 0.911 45 N CB -0.412 38.113 38.487 0.063 0.000 0.964 45 N HN 0.511 nan 8.380 nan 0.000 0.447 46 Q N -0.383 119.424 119.800 0.011 0.000 2.354 46 Q HA 0.269 4.609 4.340 0.000 0.000 0.203 46 Q C 1.684 177.628 176.000 -0.093 0.000 0.933 46 Q CA 0.392 56.176 55.803 -0.032 0.000 0.901 46 Q CB 0.325 29.036 28.738 -0.045 0.000 1.007 46 Q HN 0.419 nan 8.270 nan 0.000 0.495 47 I N -0.728 119.748 120.570 -0.157 0.000 2.364 47 I HA -0.085 4.085 4.170 0.000 0.000 0.241 47 I C 0.086 175.944 176.117 -0.432 0.000 1.082 47 I CA 0.588 61.645 61.300 -0.405 0.000 1.401 47 I CB 0.286 37.892 38.000 -0.656 0.000 1.126 47 I HN -0.011 nan 8.210 nan 0.000 0.429 48 F N 1.717 121.689 119.950 0.037 0.000 2.351 48 F HA 0.149 4.676 4.527 0.000 0.000 0.362 48 F C 1.672 177.490 175.800 0.031 0.000 1.131 48 F CA -0.580 57.450 58.000 0.049 0.000 1.187 48 F CB 0.160 39.193 39.000 0.055 0.000 1.434 48 F HN -0.015 nan 8.300 nan 0.000 0.553 49 T N -2.598 112.030 114.554 0.122 0.000 3.035 49 T HA -0.128 4.222 4.350 0.000 0.000 0.268 49 T C 0.426 175.175 174.700 0.081 0.000 1.109 49 T CA 0.256 62.402 62.100 0.077 0.000 1.119 49 T CB -0.377 68.513 68.868 0.037 0.000 0.900 49 T HN 0.419 nan 8.240 nan 0.000 0.503 50 D N 1.972 122.435 120.400 0.105 0.000 2.348 50 D HA 0.215 4.856 4.640 0.000 0.000 0.253 50 D C 1.579 177.930 176.300 0.084 0.000 1.161 50 D CA 0.352 54.400 54.000 0.080 0.000 0.876 50 D CB 1.390 42.237 40.800 0.079 0.000 1.160 50 D HN 0.236 nan 8.370 nan 0.000 0.459 51 T N 1.344 115.932 114.554 0.058 0.000 2.788 51 T HA -0.180 4.170 4.350 0.000 0.000 0.268 51 T C 1.883 176.609 174.700 0.042 0.000 1.044 51 T CA 0.857 62.986 62.100 0.049 0.000 1.139 51 T CB -0.383 68.506 68.868 0.034 0.000 0.867 51 T HN 0.376 nan 8.240 nan 0.000 0.454 52 A N 1.339 124.183 122.820 0.041 0.000 1.898 52 A HA 0.191 4.511 4.320 0.000 0.000 0.216 52 A C 2.309 179.912 177.584 0.032 0.000 1.181 52 A CA 1.385 53.441 52.037 0.033 0.000 0.620 52 A CB -0.843 18.179 19.000 0.037 0.000 0.819 52 A HN 0.453 nan 8.150 nan 0.000 0.442 53 L N -0.383 120.873 121.223 0.056 0.000 2.156 53 L HA 0.056 4.396 4.340 0.000 0.000 0.208 53 L C 2.604 179.449 176.870 -0.041 0.000 1.095 53 L CA 1.834 56.698 54.840 0.040 0.000 0.770 53 L CB -0.754 41.379 42.059 0.123 0.000 0.914 53 L HN 0.333 nan 8.230 nan 0.000 0.439 54 A N -0.848 121.996 122.820 0.040 0.000 1.902 54 A HA -0.158 4.162 4.320 0.000 0.000 0.217 54 A C 2.139 179.712 177.584 -0.020 0.000 1.181 54 A CA 1.569 53.634 52.037 0.046 0.000 0.623 54 A CB -0.483 18.581 19.000 0.107 0.000 0.818 54 A HN 0.484 nan 8.150 nan 0.000 0.443 55 E N -0.065 120.128 120.200 -0.011 0.000 2.077 55 E HA -0.197 4.154 4.350 0.000 0.000 0.193 55 E C 2.003 178.573 176.600 -0.050 0.000 0.989 55 E CA 1.578 57.966 56.400 -0.020 0.000 0.800 55 E CB -0.277 29.418 29.700 -0.008 0.000 0.746 55 E HN 0.565 nan 8.360 nan 0.000 0.452 56 K N 0.795 121.154 120.400 -0.067 0.000 2.026 56 K HA -0.087 4.233 4.320 0.000 0.000 0.208 56 K C 1.920 178.433 176.600 -0.144 0.000 1.048 56 K CA 1.240 57.471 56.287 -0.093 0.000 0.929 56 K CB -0.248 32.199 32.500 -0.088 0.000 0.713 56 K HN -0.023 nan 8.250 nan 0.000 0.439 57 M N 1.120 120.578 119.600 -0.237 0.000 2.296 57 M HA -0.074 4.406 4.480 0.000 0.000 0.265 57 M C 2.000 178.204 176.300 -0.161 0.000 1.064 57 M CA 1.436 56.540 55.300 -0.327 0.000 1.109 57 M CB -0.870 31.246 32.600 -0.806 0.000 1.396 57 M HN 0.263 nan 8.290 nan 0.000 0.430 58 K N 0.040 120.383 120.400 -0.096 0.000 2.026 58 K HA -0.132 4.188 4.320 0.000 0.000 0.208 58 K C 1.706 178.282 176.600 -0.040 0.000 1.048 58 K CA 1.816 58.079 56.287 -0.040 0.000 0.929 58 K CB 0.024 32.513 32.500 -0.020 0.000 0.713 58 K HN 0.240 nan 8.250 nan 0.000 0.439 59 T N 0.987 115.511 114.554 -0.049 0.000 2.737 59 T HA -0.093 4.257 4.350 0.000 0.000 0.265 59 T C 1.941 176.614 174.700 -0.045 0.000 1.038 59 T CA 1.331 63.406 62.100 -0.042 0.000 1.144 59 T CB -0.159 68.683 68.868 -0.043 0.000 0.866 59 T HN 0.004 nan 8.240 nan 0.000 0.434 60 V N 1.505 121.380 119.914 -0.065 0.000 2.332 60 V HA -0.088 4.032 4.120 0.000 0.000 0.248 60 V C 2.256 178.327 176.094 -0.038 0.000 1.055 60 V CA 1.503 63.766 62.300 -0.061 0.000 1.038 60 V CB -0.569 31.199 31.823 -0.091 0.000 0.651 60 V HN 0.452 nan 8.190 nan 0.000 0.450 61 L N 0.193 121.395 121.223 -0.035 0.000 2.599 61 L HA 0.278 4.618 4.340 0.000 0.000 0.230 61 L C 1.646 178.513 176.870 -0.005 0.000 1.141 61 L CA 0.765 55.600 54.840 -0.009 0.000 0.877 61 L CB -0.559 41.504 42.059 0.008 0.000 1.009 61 L HN 0.541 nan 8.230 nan 0.000 0.447 62 G N 0.286 109.079 108.800 -0.012 0.000 2.198 62 G HA2 -0.237 3.723 3.960 0.000 0.000 0.260 62 G HA3 -0.237 3.723 3.960 0.000 0.000 0.260 62 G C 0.205 175.103 174.900 -0.003 0.000 1.025 62 G CA 0.050 45.145 45.100 -0.008 0.000 0.769 62 G HN 0.161 nan 8.290 nan 0.000 0.507 63 K N -0.327 120.071 120.400 -0.003 0.000 2.106 63 K HA 0.663 4.984 4.320 0.000 0.000 0.246 63 K C 1.501 178.100 176.600 -0.001 0.000 0.987 63 K CA 0.123 56.411 56.287 0.001 0.000 0.904 63 K CB 1.147 33.652 32.500 0.008 0.000 1.071 63 K HN 0.326 nan 8.250 nan 0.000 0.453 64 T N -2.792 111.763 114.554 0.001 0.000 3.054 64 T HA 0.174 4.524 4.350 0.000 0.000 0.255 64 T C 0.311 175.013 174.700 0.002 0.000 1.035 64 T CA -0.235 61.865 62.100 0.000 0.000 0.941 64 T CB 0.013 68.881 68.868 0.000 0.000 1.026 64 T HN 0.365 nan 8.240 nan 0.000 0.533 65 N N 0.673 119.376 118.700 0.005 0.000 2.446 65 N HA 0.194 4.934 4.740 0.000 0.000 0.272 65 N C 0.848 176.366 175.510 0.014 0.000 1.127 65 N CA -0.203 52.852 53.050 0.008 0.000 0.896 65 N CB 2.514 41.006 38.487 0.008 0.000 1.658 65 N HN -0.016 nan 8.380 nan 0.000 0.483 66 V N 0.302 120.227 119.914 0.018 0.000 2.913 66 V HA -0.072 4.048 4.120 0.000 0.000 0.260 66 V C 1.806 177.922 176.094 0.036 0.000 1.098 66 V CA 2.208 64.526 62.300 0.031 0.000 1.121 66 V CB -1.280 30.563 31.823 0.034 0.000 0.714 66 V HN 0.815 nan 8.190 nan 0.000 0.487 67 T N -2.971 111.597 114.554 0.024 0.000 3.088 67 T HA 0.026 4.377 4.350 0.000 0.000 0.259 67 T C 0.486 175.195 174.700 0.016 0.000 1.122 67 T CA 0.214 62.325 62.100 0.019 0.000 1.095 67 T CB -0.653 68.222 68.868 0.013 0.000 0.930 67 T HN 0.492 nan 8.240 nan 0.000 0.508 68 D N 3.796 124.206 120.400 0.017 0.000 2.455 68 D HA 0.174 4.815 4.640 0.000 0.000 0.241 68 D C 0.719 177.029 176.300 0.016 0.000 1.138 68 D CA 0.438 54.447 54.000 0.014 0.000 0.877 68 D CB 1.096 41.905 40.800 0.014 0.000 1.187 68 D HN 0.517 nan 8.370 nan 0.000 0.451 69 T N -1.472 113.086 114.554 0.008 0.000 2.913 69 T HA 0.506 4.856 4.350 0.000 0.000 0.297 69 T C 0.299 175.004 174.700 0.008 0.000 1.029 69 T CA -0.823 61.279 62.100 0.002 0.000 1.104 69 T CB 0.974 69.838 68.868 -0.007 0.000 0.964 69 T HN 0.216 nan 8.240 nan 0.000 0.532 70 V N -0.408 119.510 119.914 0.006 0.000 3.040 70 V HA 0.902 5.022 4.120 0.000 0.000 0.312 70 V C 0.002 176.092 176.094 -0.007 0.000 1.115 70 V CA -0.876 61.432 62.300 0.012 0.000 0.998 70 V CB 1.512 33.361 31.823 0.042 0.000 1.042 70 V HN 1.287 nan 8.190 nan 0.000 0.433 71 S N 1.057 116.757 115.700 0.000 0.000 2.745 71 S HA 0.456 4.926 4.470 0.000 0.000 0.292 71 S C 0.717 175.319 174.600 0.002 0.000 1.133 71 S CA 0.005 58.201 58.200 -0.007 0.000 0.998 71 S CB 1.711 64.912 63.200 0.002 0.000 1.087 71 S HN 0.922 nan 8.310 nan 0.000 0.551 72 Q N 0.699 120.501 119.800 0.002 0.000 2.170 72 Q HA -0.027 4.313 4.340 0.000 0.000 0.203 72 Q C 1.875 177.898 176.000 0.039 0.000 0.976 72 Q CA 2.335 58.154 55.803 0.026 0.000 0.858 72 Q CB -1.283 27.475 28.738 0.034 0.000 0.907 72 Q HN 0.890 nan 8.270 nan 0.000 0.433 73 T N 1.093 115.664 114.554 0.028 0.000 2.720 73 T HA -0.141 4.209 4.350 0.000 0.000 0.268 73 T C 1.003 175.724 174.700 0.034 0.000 1.037 73 T CA 1.412 63.530 62.100 0.029 0.000 1.144 73 T CB -0.346 68.534 68.868 0.020 0.000 0.864 73 T HN 0.396 nan 8.240 nan 0.000 0.444 74 D N 1.233 121.653 120.400 0.034 0.000 2.097 74 D HA -0.029 4.611 4.640 0.000 0.000 0.195 74 D C 2.149 178.485 176.300 0.060 0.000 0.989 74 D CA 0.885 54.909 54.000 0.040 0.000 0.827 74 D CB -0.366 40.457 40.800 0.039 0.000 0.966 74 D HN 0.338 nan 8.370 nan 0.000 0.456 75 L N 0.884 122.154 121.223 0.079 0.000 2.141 75 L HA -0.132 4.208 4.340 0.000 0.000 0.209 75 L C 1.734 178.668 176.870 0.107 0.000 1.094 75 L CA 0.800 55.714 54.840 0.123 0.000 0.763 75 L CB -0.265 41.885 42.059 0.153 0.000 0.908 75 L HN -0.124 nan 8.230 nan 0.000 0.437 76 D N -0.401 120.047 120.400 0.079 0.000 2.310 76 D HA -0.128 4.512 4.640 0.000 0.000 0.212 76 D C 2.189 178.520 176.300 0.051 0.000 0.965 76 D CA 0.664 54.703 54.000 0.065 0.000 0.879 76 D CB 0.019 40.850 40.800 0.051 0.000 0.921 76 D HN 0.309 nan 8.370 nan 0.000 0.510 77 Q N 0.032 119.860 119.800 0.047 0.000 2.378 77 Q HA 0.025 4.365 4.340 0.000 0.000 0.205 77 Q C 0.442 176.461 176.000 0.032 0.000 0.954 77 Q CA 0.186 56.009 55.803 0.034 0.000 0.901 77 Q CB 0.140 28.895 28.738 0.027 0.000 0.981 77 Q HN 0.152 nan 8.270 nan 0.000 0.483 78 V N 2.674 122.615 119.914 0.045 0.000 2.387 78 V HA 0.063 4.183 4.120 0.000 0.000 0.260 78 V C 1.367 177.484 176.094 0.040 0.000 1.054 78 V CA 0.619 62.943 62.300 0.039 0.000 0.967 78 V CB 0.628 32.484 31.823 0.055 0.000 1.036 78 V HN 0.329 nan 8.190 nan 0.000 0.481 79 T N -0.025 114.542 114.554 0.022 0.000 2.990 79 T HA 0.129 4.479 4.350 0.000 0.000 0.249 79 T C 0.718 175.424 174.700 0.009 0.000 1.039 79 T CA 0.566 62.678 62.100 0.020 0.000 1.036 79 T CB 0.400 69.277 68.868 0.015 0.000 0.994 79 T HN 0.691 nan 8.240 nan 0.000 0.489 80 T N 0.197 114.747 114.554 -0.007 0.000 2.906 80 T HA 0.742 5.092 4.350 0.000 0.000 0.295 80 T C -1.551 173.114 174.700 -0.057 0.000 1.061 80 T CA -0.926 61.157 62.100 -0.029 0.000 1.000 80 T CB 2.190 71.038 68.868 -0.033 0.000 1.103 80 T HN 0.158 nan 8.240 nan 0.000 0.486 81 L N 2.053 123.213 121.223 -0.105 0.000 2.596 81 L HA 0.443 4.783 4.340 0.000 0.000 0.265 81 L C -1.417 175.290 176.870 -0.272 0.000 0.962 81 L CA -0.396 54.335 54.840 -0.183 0.000 0.891 81 L CB 2.169 44.110 42.059 -0.198 0.000 1.248 81 L HN 0.682 nan 8.230 nan 0.000 0.410 82 Q N 4.922 124.589 119.800 -0.223 0.000 2.563 82 Q HA 0.570 4.910 4.340 0.000 0.000 0.232 82 Q C 0.242 176.098 176.000 -0.240 0.000 1.106 82 Q CA 0.088 55.763 55.803 -0.213 0.000 0.913 82 Q CB 1.435 30.098 28.738 -0.126 0.000 1.175 82 Q HN 0.663 nan 8.270 nan 0.000 0.540 83 A N 2.208 124.797 122.820 -0.385 0.000 2.713 83 A HA 0.125 4.445 4.320 0.000 0.000 0.296 83 A C 0.147 177.628 177.584 -0.172 0.000 1.255 83 A CA -0.575 51.270 52.037 -0.320 0.000 0.955 83 A CB 0.019 18.723 19.000 -0.493 0.000 1.149 83 A HN 0.509 nan 8.150 nan 0.000 0.538 84 D N -0.238 120.081 120.400 -0.135 0.000 2.372 84 D HA 0.154 4.795 4.640 0.000 0.000 0.243 84 D C -0.079 176.211 176.300 -0.017 0.000 1.121 84 D CA -0.267 53.703 54.000 -0.049 0.000 0.898 84 D CB 0.392 41.162 40.800 -0.050 0.000 1.202 84 D HN 0.271 nan 8.370 nan 0.000 0.428 85 R N 0.448 120.953 120.500 0.009 0.000 3.423 85 R HA -0.152 4.189 4.340 0.000 0.000 0.271 85 R C 0.120 176.428 176.300 0.013 0.000 1.093 85 R CA 0.262 56.369 56.100 0.012 0.000 0.730 85 R CB -2.021 28.281 30.300 0.004 0.000 1.190 85 R HN 0.575 nan 8.270 nan 0.000 0.437 86 L N -1.060 120.180 121.223 0.027 0.000 2.858 86 L HA 0.241 4.581 4.340 0.000 0.000 0.251 86 L C 1.397 178.288 176.870 0.035 0.000 1.149 86 L CA 0.454 55.310 54.840 0.027 0.000 0.955 86 L CB 1.013 43.090 42.059 0.030 0.000 1.289 86 L HN 0.562 nan 8.230 nan 0.000 0.542 87 G N 1.758 110.580 108.800 0.037 0.000 2.221 87 G HA2 -0.289 3.672 3.960 0.000 0.000 0.265 87 G HA3 -0.289 3.672 3.960 0.000 0.000 0.265 87 G C 0.122 175.045 174.900 0.038 0.000 1.041 87 G CA -0.037 45.083 45.100 0.032 0.000 0.807 87 G HN 0.321 nan 8.290 nan 0.000 0.502 88 I N -0.209 120.395 120.570 0.056 0.000 2.396 88 I HA 0.191 4.362 4.170 0.000 0.000 0.289 88 I C 1.496 177.629 176.117 0.026 0.000 1.056 88 I CA -0.063 61.271 61.300 0.057 0.000 1.365 88 I CB 1.074 39.141 38.000 0.113 0.000 1.407 88 I HN 0.077 nan 8.210 nan 0.000 0.509 89 K N 2.876 123.284 120.400 0.013 0.000 2.308 89 K HA 0.135 4.456 4.320 0.000 0.000 0.197 89 K C 0.511 177.096 176.600 -0.024 0.000 1.049 89 K CA 0.351 56.635 56.287 -0.004 0.000 0.991 89 K CB 0.502 33.004 32.500 0.002 0.000 0.836 89 K HN 0.536 nan 8.250 nan 0.000 0.500 90 S N 0.734 116.421 115.700 -0.023 0.000 2.571 90 S HA 0.333 4.803 4.470 0.000 0.000 0.284 90 S C 0.034 174.601 174.600 -0.056 0.000 1.128 90 S CA -0.871 57.304 58.200 -0.041 0.000 0.970 90 S CB 0.988 64.182 63.200 -0.010 0.000 1.039 90 S HN 0.283 nan 8.310 nan 0.000 0.485 91 I N 0.284 120.773 120.570 -0.134 0.000 3.855 91 I HA 0.446 4.617 4.170 0.000 0.000 0.327 91 I C -0.393 175.709 176.117 -0.024 0.000 1.359 91 I CA -0.560 60.641 61.300 -0.166 0.000 1.142 91 I CB -0.340 37.352 38.000 -0.514 0.000 1.041 91 I HN 0.304 nan 8.210 nan 0.000 0.403 92 D N 2.953 123.352 120.400 -0.001 0.000 2.533 92 D HA 0.272 4.912 4.640 0.000 0.000 0.236 92 D C 1.367 177.682 176.300 0.026 0.000 1.137 92 D CA 1.796 55.796 54.000 -0.000 0.000 0.867 92 D CB 1.134 41.933 40.800 -0.000 0.000 1.170 92 D HN 0.559 nan 8.370 nan 0.000 0.474 93 G N 0.780 109.549 108.800 -0.051 0.000 2.279 93 G HA2 -0.339 3.621 3.960 0.000 0.000 0.223 93 G HA3 -0.339 3.621 3.960 0.000 0.000 0.223 93 G C 1.243 176.107 174.900 -0.059 0.000 1.015 93 G CA 0.373 45.316 45.100 -0.261 0.000 0.621 93 G HN 0.753 nan 8.290 nan 0.000 0.506 94 V N 0.579 120.620 119.914 0.212 0.000 2.720 94 V HA -0.005 4.115 4.120 0.000 0.000 0.256 94 V C 2.542 178.702 176.094 0.109 0.000 1.082 94 V CA 2.593 65.077 62.300 0.306 0.000 1.101 94 V CB -0.333 31.645 31.823 0.258 0.000 0.693 94 V HN 0.720 nan 8.190 nan 0.000 0.479 95 E N 0.546 120.702 120.200 -0.073 0.000 2.209 95 E HA -0.284 4.066 4.350 0.000 0.000 0.196 95 E C 1.893 178.327 176.600 -0.277 0.000 0.993 95 E CA 1.969 58.237 56.400 -0.221 0.000 0.819 95 E CB -0.849 28.634 29.700 -0.361 0.000 0.745 95 E HN 0.720 nan 8.360 nan 0.000 0.477 96 Y N 1.046 121.331 120.300 -0.025 0.000 2.516 96 Y HA 0.143 4.693 4.550 0.000 0.000 0.291 96 Y C 1.477 177.407 175.900 0.050 0.000 1.131 96 Y CA 0.344 58.435 58.100 -0.016 0.000 1.281 96 Y CB -0.022 38.389 38.460 -0.082 0.000 1.013 96 Y HN -0.083 nan 8.280 nan 0.000 0.554 97 L N 1.293 122.645 121.223 0.215 0.000 2.423 97 L HA 0.121 4.461 4.340 0.000 0.000 0.249 97 L C 0.501 177.439 176.870 0.113 0.000 1.276 97 L CA 0.042 54.996 54.840 0.191 0.000 1.199 97 L CB -0.533 41.667 42.059 0.237 0.000 1.407 97 L HN 0.305 nan 8.230 nan 0.000 0.410 98 N N 0.377 119.130 118.700 0.088 0.000 2.223 98 N HA -0.142 4.598 4.740 0.000 0.000 0.185 98 N C 1.047 176.585 175.510 0.047 0.000 1.016 98 N CA 0.761 53.842 53.050 0.051 0.000 0.863 98 N CB 0.050 38.562 38.487 0.042 0.000 0.983 98 N HN 0.477 nan 8.380 nan 0.000 0.429 99 N N 0.721 119.454 118.700 0.055 0.000 2.370 99 N HA 0.080 4.821 4.740 0.000 0.000 0.198 99 N C -0.422 175.114 175.510 0.043 0.000 1.156 99 N CA 0.102 53.178 53.050 0.044 0.000 0.839 99 N CB 0.161 38.672 38.487 0.040 0.000 0.989 99 N HN 0.266 nan 8.380 nan 0.000 0.468 100 L N 1.076 122.332 121.223 0.055 0.000 2.513 100 L HA 0.009 4.349 4.340 0.000 0.000 0.272 100 L C 1.747 178.642 176.870 0.040 0.000 1.187 100 L CA 0.234 55.106 54.840 0.053 0.000 0.895 100 L CB 0.664 42.771 42.059 0.079 0.000 1.147 100 L HN 0.167 nan 8.230 nan 0.000 0.483 101 T N -0.713 113.859 114.554 0.029 0.000 2.978 101 T HA 0.068 4.418 4.350 0.000 0.000 0.248 101 T C 0.422 175.134 174.700 0.020 0.000 1.018 101 T CA -0.160 61.954 62.100 0.023 0.000 1.026 101 T CB 0.416 69.294 68.868 0.016 0.000 1.032 101 T HN 0.544 nan 8.240 nan 0.000 0.485 102 Q N 0.980 120.787 119.800 0.013 0.000 2.263 102 Q HA 0.620 4.960 4.340 0.000 0.000 0.266 102 Q C -1.636 174.353 176.000 -0.018 0.000 1.002 102 Q CA -0.977 54.827 55.803 0.001 0.000 0.790 102 Q CB 1.917 30.650 28.738 -0.008 0.000 1.272 102 Q HN 0.678 nan 8.270 nan 0.000 0.435 103 I N 0.490 121.052 120.570 -0.013 0.000 2.785 103 I HA 0.702 4.872 4.170 0.000 0.000 0.302 103 I C -1.178 174.874 176.117 -0.107 0.000 1.069 103 I CA -0.976 60.279 61.300 -0.075 0.000 1.045 103 I CB 2.398 40.441 38.000 0.071 0.000 1.236 103 I HN 0.445 nan 8.210 nan 0.000 0.429 104 N N 3.943 122.475 118.700 -0.280 0.000 2.609 104 N HA 0.400 5.140 4.740 0.000 0.000 0.268 104 N C -1.514 173.771 175.510 -0.374 0.000 1.106 104 N CA -0.546 52.376 53.050 -0.214 0.000 0.823 104 N CB 0.770 39.162 38.487 -0.158 0.000 1.263 104 N HN 0.669 nan 8.380 nan 0.000 0.533 105 F N 0.750 120.680 119.950 -0.033 0.000 2.772 105 F HA 0.244 4.771 4.527 0.000 0.000 0.302 105 F C 1.289 177.060 175.800 -0.049 0.000 1.136 105 F CA -0.492 57.488 58.000 -0.033 0.000 1.322 105 F CB 0.010 38.996 39.000 -0.023 0.000 0.967 105 F HN 0.266 nan 8.300 nan 0.000 0.513 106 S N 0.065 115.796 115.700 0.052 0.000 2.579 106 S HA 0.104 4.574 4.470 0.000 0.000 0.275 106 S C 0.672 175.273 174.600 0.002 0.000 1.345 106 S CA -0.494 57.696 58.200 -0.016 0.000 1.031 106 S CB 0.381 63.537 63.200 -0.072 0.000 0.892 106 S HN 0.484 nan 8.310 nan 0.000 0.529 107 N N 1.683 120.373 118.700 -0.017 0.000 2.738 107 N HA -0.142 4.598 4.740 0.000 0.000 0.249 107 N C -0.826 174.699 175.510 0.024 0.000 1.047 107 N CA 0.689 53.742 53.050 0.003 0.000 0.707 107 N CB -1.523 36.968 38.487 0.008 0.000 0.937 107 N HN 0.704 nan 8.380 nan 0.000 0.545 108 N N 0.259 118.978 118.700 0.032 0.000 3.294 108 N HA 0.337 5.077 4.740 0.000 0.000 0.355 108 N C 0.117 175.640 175.510 0.022 0.000 1.497 108 N CA -0.317 52.760 53.050 0.044 0.000 0.707 108 N CB 0.379 38.920 38.487 0.090 0.000 1.732 108 N HN 0.067 nan 8.380 nan 0.000 0.640 109 Q N 0.706 120.516 119.800 0.017 0.000 2.233 109 Q HA 0.452 4.792 4.340 0.000 0.000 0.340 109 Q C -0.765 175.230 176.000 -0.009 0.000 0.899 109 Q CA -0.092 55.714 55.803 0.005 0.000 1.139 109 Q CB 0.321 29.064 28.738 0.008 0.000 1.273 109 Q HN 0.311 nan 8.270 nan 0.000 0.431 110 L N 0.228 121.439 121.223 -0.020 0.000 2.397 110 L HA 0.289 4.629 4.340 0.000 0.000 0.271 110 L C 1.115 177.962 176.870 -0.038 0.000 1.148 110 L CA 0.195 55.008 54.840 -0.046 0.000 0.825 110 L CB 0.796 42.809 42.059 -0.077 0.000 1.117 110 L HN 0.416 nan 8.230 nan 0.000 0.456 111 T N -2.575 111.955 114.554 -0.041 0.000 3.330 111 T HA 0.050 4.400 4.350 0.000 0.000 0.240 111 T C 0.258 174.934 174.700 -0.041 0.000 0.988 111 T CA -0.295 61.785 62.100 -0.032 0.000 1.253 111 T CB -0.034 68.821 68.868 -0.023 0.000 1.163 111 T HN 0.428 nan 8.240 nan 0.000 0.382 112 D N 2.145 122.518 120.400 -0.045 0.000 2.343 112 D HA 0.267 4.907 4.640 0.000 0.000 0.255 112 D C 0.551 176.808 176.300 -0.072 0.000 1.187 112 D CA -0.717 53.253 54.000 -0.049 0.000 0.875 112 D CB 0.447 41.221 40.800 -0.043 0.000 1.136 112 D HN 0.639 nan 8.370 nan 0.000 0.469 113 I N 0.481 121.010 120.570 -0.069 0.000 3.762 113 I HA 0.216 4.386 4.170 0.000 0.000 0.333 113 I C 0.936 177.010 176.117 -0.071 0.000 1.566 113 I CA -0.588 60.660 61.300 -0.086 0.000 1.129 113 I CB 0.426 38.379 38.000 -0.077 0.000 1.218 113 I HN 0.076 nan 8.210 nan 0.000 0.456 114 T N 2.290 116.806 114.554 -0.064 0.000 2.759 114 T HA -0.043 4.307 4.350 0.000 0.000 0.269 114 T C -0.452 174.207 174.700 -0.068 0.000 1.042 114 T CA 1.857 63.923 62.100 -0.058 0.000 1.140 114 T CB -1.027 67.810 68.868 -0.051 0.000 0.864 114 T HN 0.377 nan 8.240 nan 0.000 0.455 115 P HA 0.025 nan 4.420 nan 0.000 0.221 115 P C 1.140 178.396 177.300 -0.073 0.000 1.145 115 P CA 0.801 63.847 63.100 -0.090 0.000 0.795 115 P CB -0.250 31.396 31.700 -0.089 0.000 0.775 116 L N -1.063 120.125 121.223 -0.058 0.000 2.478 116 L HA -0.025 4.316 4.340 0.000 0.000 0.223 116 L C 2.361 179.214 176.870 -0.028 0.000 1.140 116 L CA 0.700 55.523 54.840 -0.029 0.000 0.842 116 L CB -0.656 41.393 42.059 -0.017 0.000 0.953 116 L HN -0.016 nan 8.230 nan 0.000 0.452 117 K N 0.945 121.320 120.400 -0.041 0.000 2.089 117 K HA -0.199 4.122 4.320 0.000 0.000 0.210 117 K C 1.077 177.658 176.600 -0.031 0.000 1.048 117 K CA 1.624 57.889 56.287 -0.036 0.000 0.926 117 K CB 0.099 32.573 32.500 -0.042 0.000 0.714 117 K HN 0.360 nan 8.250 nan 0.000 0.448 118 N N 0.351 119.026 118.700 -0.041 0.000 2.214 118 N HA 0.067 4.807 4.740 0.000 0.000 0.214 118 N C -0.414 175.082 175.510 -0.024 0.000 1.132 118 N CA 0.139 53.167 53.050 -0.036 0.000 0.856 118 N CB 0.586 39.042 38.487 -0.052 0.000 1.020 118 N HN 0.130 nan 8.380 nan 0.000 0.509 119 L N 1.853 123.068 121.223 -0.014 0.000 2.423 119 L HA 0.136 4.476 4.340 0.000 0.000 0.249 119 L C 1.476 178.352 176.870 0.010 0.000 1.276 119 L CA -0.113 54.730 54.840 0.005 0.000 1.199 119 L CB -0.324 41.748 42.059 0.022 0.000 1.407 119 L HN 0.078 nan 8.230 nan 0.000 0.410 120 T N -3.650 110.907 114.554 0.005 0.000 3.072 120 T HA -0.078 4.272 4.350 0.000 0.000 0.266 120 T C 1.452 176.159 174.700 0.011 0.000 1.127 120 T CA 0.479 62.582 62.100 0.006 0.000 1.107 120 T CB -0.056 68.813 68.868 0.002 0.000 0.910 120 T HN 0.383 nan 8.240 nan 0.000 0.513 121 K N 0.617 121.027 120.400 0.015 0.000 2.486 121 K HA 0.247 4.567 4.320 0.000 0.000 0.194 121 K C 0.286 176.899 176.600 0.021 0.000 1.033 121 K CA -0.017 56.281 56.287 0.018 0.000 1.004 121 K CB -0.195 32.317 32.500 0.020 0.000 0.798 121 K HN 0.416 nan 8.250 nan 0.000 0.495 122 L N 1.954 123.192 121.223 0.025 0.000 2.477 122 L HA -0.038 4.302 4.340 0.000 0.000 0.272 122 L C 1.421 178.305 176.870 0.024 0.000 1.157 122 L CA -0.311 54.547 54.840 0.029 0.000 0.889 122 L CB 0.791 42.872 42.059 0.037 0.000 1.158 122 L HN 0.011 nan 8.230 nan 0.000 0.473 123 V N -1.150 118.777 119.914 0.022 0.000 3.379 123 V HA 0.286 4.406 4.120 0.000 0.000 0.249 123 V C 0.432 176.539 176.094 0.021 0.000 1.184 123 V CA 0.335 62.647 62.300 0.019 0.000 1.106 123 V CB 0.657 32.490 31.823 0.016 0.000 0.826 123 V HN 0.786 nan 8.190 nan 0.000 0.465 124 D N 0.087 120.500 120.400 0.022 0.000 2.896 124 D HA 0.532 5.173 4.640 0.000 0.000 0.241 124 D C -1.555 174.762 176.300 0.027 0.000 1.188 124 D CA -0.351 53.663 54.000 0.023 0.000 0.879 124 D CB 2.701 43.511 40.800 0.016 0.000 1.553 124 D HN 0.303 nan 8.370 nan 0.000 0.515 125 I N 3.860 124.449 120.570 0.032 0.000 2.478 125 I HA 0.303 4.473 4.170 0.000 0.000 0.287 125 I C -0.580 175.553 176.117 0.027 0.000 1.042 125 I CA -0.646 60.680 61.300 0.042 0.000 1.067 125 I CB 2.118 40.150 38.000 0.053 0.000 1.233 125 I HN 0.196 nan 8.210 nan 0.000 0.431 126 L N 7.112 128.345 121.223 0.017 0.000 2.294 126 L HA 0.522 4.862 4.340 0.000 0.000 0.283 126 L C 0.074 176.937 176.870 -0.011 0.000 1.015 126 L CA -0.041 54.790 54.840 -0.015 0.000 0.831 126 L CB 1.460 43.505 42.059 -0.023 0.000 1.217 126 L HN 0.721 nan 8.230 nan 0.000 0.420 127 M N 3.277 122.842 119.600 -0.058 0.000 3.039 127 M HA 0.135 4.615 4.480 0.000 0.000 0.442 127 M C -0.105 176.100 176.300 -0.158 0.000 1.408 127 M CA -0.337 54.937 55.300 -0.044 0.000 0.804 127 M CB 0.414 33.022 32.600 0.014 0.000 1.471 127 M HN 0.604 nan 8.290 nan 0.000 0.516 128 N N 0.181 118.672 118.700 -0.348 0.000 2.340 128 N HA 0.020 4.760 4.740 0.000 0.000 0.236 128 N C -0.621 174.693 175.510 -0.328 0.000 1.296 128 N CA 0.355 53.038 53.050 -0.613 0.000 0.896 128 N CB 0.041 37.547 38.487 -1.635 0.000 1.127 128 N HN 0.336 nan 8.380 nan 0.000 0.442 129 N N -0.865 117.692 118.700 -0.238 0.000 2.708 129 N HA -0.156 4.584 4.740 0.000 0.000 0.255 129 N C -1.303 174.180 175.510 -0.045 0.000 1.046 129 N CA 0.675 53.676 53.050 -0.081 0.000 0.715 129 N CB -0.890 37.572 38.487 -0.041 0.000 0.895 129 N HN 0.603 nan 8.380 nan 0.000 0.545 130 N N -0.018 118.656 118.700 -0.043 0.000 3.283 130 N HA 0.350 5.090 4.740 0.000 0.000 0.338 130 N C -0.270 175.232 175.510 -0.014 0.000 1.517 130 N CA -0.497 52.540 53.050 -0.022 0.000 0.733 130 N CB 0.663 39.134 38.487 -0.026 0.000 1.797 130 N HN 0.180 nan 8.380 nan 0.000 0.637 131 Q N 0.654 120.447 119.800 -0.012 0.000 2.182 131 Q HA 0.456 4.796 4.340 0.000 0.000 0.305 131 Q C -0.616 175.378 176.000 -0.011 0.000 0.880 131 Q CA -0.101 55.698 55.803 -0.007 0.000 1.131 131 Q CB 0.369 29.104 28.738 -0.005 0.000 1.237 131 Q HN 0.404 nan 8.270 nan 0.000 0.447 132 I N 0.361 120.922 120.570 -0.015 0.000 2.416 132 I HA 0.183 4.353 4.170 0.000 0.000 0.288 132 I C 0.805 176.918 176.117 -0.008 0.000 1.051 132 I CA -0.070 61.219 61.300 -0.017 0.000 1.375 132 I CB 1.410 39.396 38.000 -0.023 0.000 1.407 132 I HN 0.258 nan 8.210 nan 0.000 0.516 133 A N 4.002 126.817 122.820 -0.008 0.000 1.997 133 A HA 0.098 4.418 4.320 0.000 0.000 0.198 133 A C 0.645 178.226 177.584 -0.006 0.000 1.449 133 A CA 0.186 52.221 52.037 -0.004 0.000 0.908 133 A CB 0.195 19.193 19.000 -0.003 0.000 0.984 133 A HN 0.628 nan 8.150 nan 0.000 0.487 134 D N 1.020 121.413 120.400 -0.011 0.000 2.428 134 D HA 0.343 4.983 4.640 0.000 0.000 0.221 134 D C 0.580 176.871 176.300 -0.015 0.000 1.123 134 D CA -0.410 53.583 54.000 -0.013 0.000 0.869 134 D CB 0.384 41.175 40.800 -0.015 0.000 1.032 134 D HN 0.452 nan 8.370 nan 0.000 0.506 135 I N 0.503 121.067 120.570 -0.011 0.000 3.855 135 I HA 0.138 4.308 4.170 0.000 0.000 0.327 135 I C 1.037 177.147 176.117 -0.011 0.000 1.359 135 I CA -0.392 60.901 61.300 -0.010 0.000 1.142 135 I CB 0.061 38.059 38.000 -0.004 0.000 1.041 135 I HN -0.010 nan 8.210 nan 0.000 0.403 136 T N 2.302 116.848 114.554 -0.014 0.000 2.759 136 T HA -0.054 4.297 4.350 0.000 0.000 0.269 136 T C -0.407 174.283 174.700 -0.016 0.000 1.042 136 T CA 1.701 63.793 62.100 -0.014 0.000 1.140 136 T CB -1.113 67.746 68.868 -0.015 0.000 0.864 136 T HN 0.404 nan 8.240 nan 0.000 0.455 137 P HA 0.087 nan 4.420 nan 0.000 0.225 137 P C 1.011 178.301 177.300 -0.017 0.000 1.148 137 P CA 0.706 63.792 63.100 -0.023 0.000 0.779 137 P CB -0.233 31.448 31.700 -0.031 0.000 0.780 138 L N -1.994 119.222 121.223 -0.011 0.000 2.591 138 L HA 0.132 4.472 4.340 0.000 0.000 0.228 138 L C 2.188 179.056 176.870 -0.003 0.000 1.133 138 L CA 0.299 55.137 54.840 -0.004 0.000 0.880 138 L CB -0.766 41.294 42.059 0.001 0.000 1.033 138 L HN -0.047 nan 8.230 nan 0.000 0.450 139 A N 0.994 123.810 122.820 -0.006 0.000 1.933 139 A HA -0.189 4.131 4.320 0.000 0.000 0.218 139 A C 1.662 179.244 177.584 -0.005 0.000 1.175 139 A CA 1.719 53.753 52.037 -0.006 0.000 0.628 139 A CB -0.536 18.459 19.000 -0.008 0.000 0.814 139 A HN 0.512 nan 8.150 nan 0.000 0.444 140 N N -0.463 118.234 118.700 -0.006 0.000 2.276 140 N HA 0.277 5.017 4.740 0.000 0.000 0.212 140 N C -0.501 175.007 175.510 -0.002 0.000 1.127 140 N CA -0.098 52.949 53.050 -0.005 0.000 0.834 140 N CB 0.286 38.767 38.487 -0.009 0.000 1.014 140 N HN 0.344 nan 8.380 nan 0.000 0.491 141 L N 1.395 122.619 121.223 0.001 0.000 2.598 141 L HA 0.180 4.520 4.340 0.000 0.000 0.241 141 L C 1.338 178.213 176.870 0.008 0.000 1.244 141 L CA -0.239 54.604 54.840 0.006 0.000 1.198 141 L CB -0.341 41.724 42.059 0.009 0.000 1.448 141 L HN 0.272 nan 8.230 nan 0.000 0.406 142 T N -3.671 110.886 114.554 0.006 0.000 2.881 142 T HA -0.122 4.229 4.350 0.000 0.000 0.270 142 T C 1.416 176.121 174.700 0.009 0.000 1.068 142 T CA 0.833 62.937 62.100 0.006 0.000 1.131 142 T CB -0.123 68.748 68.868 0.004 0.000 0.871 142 T HN 0.387 nan 8.240 nan 0.000 0.479 143 N N 1.107 119.813 118.700 0.010 0.000 2.521 143 N HA 0.156 4.896 4.740 0.000 0.000 0.188 143 N C 0.191 175.709 175.510 0.014 0.000 1.146 143 N CA 0.078 53.135 53.050 0.011 0.000 0.893 143 N CB -0.263 38.231 38.487 0.011 0.000 0.975 143 N HN 0.478 nan 8.380 nan 0.000 0.451 144 L N 1.617 122.850 121.223 0.016 0.000 2.562 144 L HA 0.001 4.341 4.340 0.000 0.000 0.271 144 L C 1.631 178.513 176.870 0.020 0.000 1.167 144 L CA 0.123 54.975 54.840 0.019 0.000 0.917 144 L CB 0.458 42.530 42.059 0.021 0.000 1.187 144 L HN 0.143 nan 8.230 nan 0.000 0.482 145 T N -1.503 113.063 114.554 0.020 0.000 3.022 145 T HA 0.223 4.573 4.350 0.000 0.000 0.250 145 T C 0.645 175.361 174.700 0.026 0.000 1.060 145 T CA 0.223 62.335 62.100 0.021 0.000 1.013 145 T CB 0.517 69.396 68.868 0.018 0.000 0.982 145 T HN 0.593 nan 8.240 nan 0.000 0.508 146 G N 1.138 109.955 108.800 0.029 0.000 2.732 146 G HA2 0.615 4.575 3.960 0.000 0.000 0.295 146 G HA3 0.615 4.575 3.960 0.000 0.000 0.295 146 G C -2.126 172.796 174.900 0.038 0.000 1.456 146 G CA -0.662 44.459 45.100 0.035 0.000 1.050 146 G HN 0.317 nan 8.290 nan 0.000 0.525 147 L N 1.744 122.995 121.223 0.047 0.000 2.541 147 L HA 0.667 5.007 4.340 0.000 0.000 0.266 147 L C -0.546 176.360 176.870 0.060 0.000 0.966 147 L CA -0.319 54.548 54.840 0.045 0.000 0.871 147 L CB 2.160 44.244 42.059 0.041 0.000 1.232 147 L HN 0.405 nan 8.230 nan 0.000 0.408 148 T N 6.694 121.273 114.554 0.042 0.000 2.788 148 T HA 0.538 4.888 4.350 0.000 0.000 0.296 148 T C 0.569 175.230 174.700 -0.065 0.000 1.009 148 T CA -0.044 62.079 62.100 0.038 0.000 0.949 148 T CB 0.639 69.526 68.868 0.033 0.000 0.946 148 T HN 0.546 nan 8.240 nan 0.000 0.453 149 L N 3.207 124.411 121.223 -0.031 0.000 3.358 149 L HA 0.374 4.714 4.340 0.000 0.000 0.301 149 L C 0.044 176.891 176.870 -0.039 0.000 1.276 149 L CA -0.652 54.149 54.840 -0.065 0.000 1.028 149 L CB 0.095 42.159 42.059 0.008 0.000 1.421 149 L HN 0.612 nan 8.230 nan 0.000 0.604 150 F N -1.320 118.650 119.950 0.033 0.000 2.496 150 F HA 0.278 4.805 4.527 0.000 0.000 0.344 150 F C 1.193 177.008 175.800 0.026 0.000 1.155 150 F CA -0.554 57.463 58.000 0.029 0.000 1.302 150 F CB 0.064 39.076 39.000 0.020 0.000 1.159 150 F HN 0.058 nan 8.300 nan 0.000 0.595 151 N N 2.362 121.212 118.700 0.250 0.000 2.726 151 N HA -0.236 4.504 4.740 0.000 0.000 0.253 151 N C -1.208 174.323 175.510 0.035 0.000 1.059 151 N CA 0.472 53.606 53.050 0.140 0.000 0.701 151 N CB -0.857 37.746 38.487 0.193 0.000 0.899 151 N HN 0.870 nan 8.380 nan 0.000 0.548 152 N N 0.158 118.881 118.700 0.038 0.000 3.455 152 N HA 0.329 5.069 4.740 0.000 0.000 0.358 152 N C -0.238 175.288 175.510 0.027 0.000 1.580 152 N CA -0.279 52.780 53.050 0.015 0.000 0.692 152 N CB 0.375 38.861 38.487 -0.003 0.000 1.978 152 N HN 0.215 nan 8.380 nan 0.000 0.651 153 Q N 0.740 120.551 119.800 0.018 0.000 2.318 153 Q HA 0.468 4.808 4.340 0.000 0.000 0.371 153 Q C -0.776 175.234 176.000 0.017 0.000 0.896 153 Q CA -0.063 55.751 55.803 0.019 0.000 1.134 153 Q CB 0.567 29.312 28.738 0.012 0.000 1.329 153 Q HN 0.402 nan 8.270 nan 0.000 0.413 154 I N 0.055 120.639 120.570 0.024 0.000 2.342 154 I HA 0.143 4.314 4.170 0.000 0.000 0.291 154 I C 0.846 176.977 176.117 0.024 0.000 1.010 154 I CA 0.177 61.489 61.300 0.021 0.000 1.308 154 I CB 1.637 39.653 38.000 0.027 0.000 1.400 154 I HN 0.173 nan 8.210 nan 0.000 0.488 155 T N 1.881 116.444 114.554 0.015 0.000 3.114 155 T HA 0.022 4.372 4.350 0.000 0.000 0.240 155 T C 0.309 175.010 174.700 0.002 0.000 0.983 155 T CA 0.247 62.353 62.100 0.011 0.000 1.151 155 T CB 0.090 68.962 68.868 0.007 0.000 0.974 155 T HN 0.501 nan 8.240 nan 0.000 0.442 156 D N 2.304 122.703 120.400 -0.002 0.000 2.365 156 D HA 0.159 4.799 4.640 0.000 0.000 0.237 156 D C 0.774 177.069 176.300 -0.009 0.000 1.190 156 D CA -0.497 53.498 54.000 -0.008 0.000 0.867 156 D CB 0.310 41.105 40.800 -0.009 0.000 1.050 156 D HN 0.449 nan 8.370 nan 0.000 0.491 157 I N 0.305 120.866 120.570 -0.016 0.000 3.861 157 I HA 0.240 4.410 4.170 0.000 0.000 0.329 157 I C 1.246 177.351 176.117 -0.020 0.000 1.321 157 I CA -0.326 60.965 61.300 -0.015 0.000 1.126 157 I CB 0.196 38.185 38.000 -0.018 0.000 1.018 157 I HN 0.104 nan 8.210 nan 0.000 0.407 158 D N 3.177 123.565 120.400 -0.020 0.000 2.149 158 D HA -0.159 4.481 4.640 0.000 0.000 0.194 158 D C -0.476 175.816 176.300 -0.014 0.000 1.001 158 D CA 1.869 55.857 54.000 -0.019 0.000 0.849 158 D CB -0.658 40.131 40.800 -0.018 0.000 0.939 158 D HN 0.279 nan 8.370 nan 0.000 0.449 159 P HA -0.073 nan 4.420 nan 0.000 0.223 159 P C 0.916 178.212 177.300 -0.005 0.000 1.144 159 P CA 0.842 63.937 63.100 -0.008 0.000 0.783 159 P CB -0.036 31.660 31.700 -0.008 0.000 0.771 160 L N -0.350 120.871 121.223 -0.005 0.000 2.554 160 L HA 0.027 4.367 4.340 0.000 0.000 0.226 160 L C 2.305 179.173 176.870 -0.003 0.000 1.137 160 L CA 0.507 55.347 54.840 -0.000 0.000 0.863 160 L CB -0.764 41.298 42.059 0.004 0.000 0.985 160 L HN 0.100 nan 8.230 nan 0.000 0.451 161 K N -0.110 120.285 120.400 -0.009 0.000 2.211 161 K HA -0.146 4.174 4.320 0.000 0.000 0.204 161 K C 0.848 177.444 176.600 -0.006 0.000 1.047 161 K CA 1.435 57.716 56.287 -0.010 0.000 0.935 161 K CB -0.148 32.343 32.500 -0.015 0.000 0.728 161 K HN 0.282 nan 8.250 nan 0.000 0.452 162 N N 0.879 119.577 118.700 -0.004 0.000 2.238 162 N HA 0.126 4.866 4.740 0.000 0.000 0.222 162 N C -0.368 175.143 175.510 0.002 0.000 1.133 162 N CA 0.098 53.147 53.050 -0.002 0.000 0.854 162 N CB 0.641 39.126 38.487 -0.003 0.000 1.041 162 N HN 0.203 nan 8.380 nan 0.000 0.510 163 L N 1.564 122.789 121.223 0.004 0.000 2.865 163 L HA 0.153 4.493 4.340 0.000 0.000 0.233 163 L C 1.573 178.449 176.870 0.010 0.000 1.320 163 L CA -0.127 54.718 54.840 0.008 0.000 1.225 163 L CB -0.354 41.712 42.059 0.011 0.000 1.542 163 L HN 0.060 nan 8.230 nan 0.000 0.432 164 T N -4.170 110.388 114.554 0.008 0.000 3.051 164 T HA -0.097 4.253 4.350 0.000 0.000 0.269 164 T C 1.308 176.014 174.700 0.011 0.000 1.127 164 T CA 0.734 62.839 62.100 0.008 0.000 1.107 164 T CB -0.159 68.713 68.868 0.005 0.000 0.898 164 T HN 0.359 nan 8.240 nan 0.000 0.517 165 N N 0.928 119.635 118.700 0.011 0.000 2.383 165 N HA 0.219 4.959 4.740 0.000 0.000 0.192 165 N C 0.007 175.526 175.510 0.016 0.000 1.141 165 N CA 0.005 53.063 53.050 0.013 0.000 0.851 165 N CB -0.012 38.482 38.487 0.011 0.000 0.976 165 N HN 0.472 nan 8.380 nan 0.000 0.465 166 L N 1.555 122.789 121.223 0.019 0.000 2.410 166 L HA 0.089 4.429 4.340 0.000 0.000 0.273 166 L C 1.158 178.043 176.870 0.026 0.000 1.144 166 L CA -0.120 54.735 54.840 0.025 0.000 0.863 166 L CB 0.481 42.558 42.059 0.029 0.000 1.140 166 L HN -0.025 nan 8.230 nan 0.000 0.463 167 N N 2.338 121.054 118.700 0.027 0.000 2.432 167 N HA 0.067 4.807 4.740 0.000 0.000 0.174 167 N C 0.282 175.812 175.510 0.033 0.000 1.037 167 N CA 0.501 53.567 53.050 0.027 0.000 0.892 167 N CB 0.428 38.928 38.487 0.022 0.000 1.049 167 N HN 0.487 nan 8.380 nan 0.000 0.442 168 R N 0.679 121.202 120.500 0.039 0.000 2.532 168 R HA 0.429 4.769 4.340 0.000 0.000 0.297 168 R C -1.872 174.465 176.300 0.061 0.000 0.984 168 R CA -0.563 55.566 56.100 0.048 0.000 0.884 168 R CB 1.118 31.445 30.300 0.045 0.000 1.182 168 R HN -0.053 nan 8.270 nan 0.000 0.442 169 L N 3.216 124.485 121.223 0.076 0.000 2.528 169 L HA 0.434 4.774 4.340 0.000 0.000 0.267 169 L C -1.690 175.253 176.870 0.122 0.000 0.961 169 L CA -0.151 54.745 54.840 0.094 0.000 0.866 169 L CB 2.138 44.251 42.059 0.090 0.000 1.248 169 L HN 0.648 nan 8.230 nan 0.000 0.404 170 E N 5.659 125.950 120.200 0.152 0.000 2.155 170 E HA 0.535 4.885 4.350 0.000 0.000 0.264 170 E C -0.242 176.500 176.600 0.237 0.000 0.886 170 E CA -0.122 56.401 56.400 0.204 0.000 0.752 170 E CB 1.853 31.740 29.700 0.312 0.000 1.133 170 E HN 0.650 nan 8.360 nan 0.000 0.414 171 L N 1.920 123.274 121.223 0.218 0.000 3.333 171 L HA 0.170 4.510 4.340 0.000 0.000 0.299 171 L C 0.328 177.322 176.870 0.206 0.000 1.256 171 L CA -0.233 54.735 54.840 0.213 0.000 1.037 171 L CB 0.599 42.784 42.059 0.210 0.000 1.423 171 L HN 0.443 nan 8.230 nan 0.000 0.605 172 S N -1.338 114.466 115.700 0.173 0.000 2.596 172 S HA 0.180 4.651 4.470 0.000 0.000 0.260 172 S C 0.953 175.642 174.600 0.148 0.000 1.336 172 S CA 0.098 58.356 58.200 0.097 0.000 0.993 172 S CB 1.111 64.294 63.200 -0.027 0.000 0.923 172 S HN 0.247 nan 8.310 nan 0.000 0.567 173 S N 1.175 116.932 115.700 0.096 0.000 3.682 173 S HA -0.126 4.344 4.470 0.000 0.000 0.354 173 S C -0.111 174.552 174.600 0.105 0.000 1.034 173 S CA 0.720 58.981 58.200 0.101 0.000 1.084 173 S CB -2.069 61.207 63.200 0.126 0.000 0.903 173 S HN 0.794 nan 8.310 nan 0.000 0.470 174 N N 0.082 118.840 118.700 0.096 0.000 3.091 174 N HA 0.536 5.276 4.740 0.000 0.000 0.329 174 N C 0.354 175.905 175.510 0.067 0.000 1.430 174 N CA -0.048 53.050 53.050 0.080 0.000 0.755 174 N CB 1.356 39.897 38.487 0.089 0.000 1.626 174 N HN 0.304 nan 8.380 nan 0.000 0.614 175 T N -1.655 112.931 114.554 0.054 0.000 3.313 175 T HA 0.476 4.826 4.350 0.000 0.000 0.263 175 T C 0.377 175.100 174.700 0.040 0.000 0.983 175 T CA -0.320 61.806 62.100 0.043 0.000 0.963 175 T CB -1.122 67.764 68.868 0.030 0.000 1.141 175 T HN 0.279 nan 8.240 nan 0.000 0.526 176 I N 2.614 123.216 120.570 0.054 0.000 2.416 176 I HA 0.218 4.388 4.170 0.000 0.000 0.288 176 I C 1.314 177.451 176.117 0.033 0.000 1.051 176 I CA -0.309 61.013 61.300 0.037 0.000 1.375 176 I CB 1.319 39.347 38.000 0.046 0.000 1.407 176 I HN 0.474 nan 8.210 nan 0.000 0.516 177 S N 1.997 117.700 115.700 0.006 0.000 2.559 177 S HA 0.163 4.633 4.470 0.000 0.000 0.226 177 S C 0.101 174.683 174.600 -0.031 0.000 1.030 177 S CA -0.364 57.836 58.200 0.000 0.000 0.956 177 S CB 0.218 63.420 63.200 0.004 0.000 0.900 177 S HN 0.650 nan 8.310 nan 0.000 0.510 178 D N 1.730 122.096 120.400 -0.057 0.000 2.542 178 D HA 0.342 4.982 4.640 0.000 0.000 0.252 178 D C 0.212 176.433 176.300 -0.132 0.000 1.222 178 D CA -0.662 53.290 54.000 -0.080 0.000 0.895 178 D CB 1.282 42.050 40.800 -0.052 0.000 1.207 178 D HN 0.370 nan 8.370 nan 0.000 0.558 179 I N 0.661 121.110 120.570 -0.203 0.000 3.858 179 I HA 0.238 4.409 4.170 0.000 0.000 0.325 179 I C 0.956 176.966 176.117 -0.180 0.000 1.403 179 I CA -0.372 60.759 61.300 -0.282 0.000 1.169 179 I CB 0.320 37.964 38.000 -0.593 0.000 1.077 179 I HN -0.007 nan 8.210 nan 0.000 0.403 180 S N 2.011 117.642 115.700 -0.114 0.000 2.402 180 S HA -0.186 4.284 4.470 0.000 0.000 0.233 180 S C 2.256 176.817 174.600 -0.065 0.000 1.030 180 S CA 1.674 59.828 58.200 -0.076 0.000 1.003 180 S CB -0.212 62.956 63.200 -0.054 0.000 0.813 180 S HN 0.770 nan 8.310 nan 0.000 0.477 181 A N 1.074 123.853 122.820 -0.068 0.000 2.070 181 A HA 0.066 4.386 4.320 0.000 0.000 0.220 181 A C 1.868 179.424 177.584 -0.047 0.000 1.159 181 A CA 0.854 52.861 52.037 -0.049 0.000 0.656 181 A CB -0.558 18.416 19.000 -0.044 0.000 0.800 181 A HN 0.506 nan 8.150 nan 0.000 0.453 182 L N 0.485 121.667 121.223 -0.069 0.000 2.478 182 L HA -0.082 4.258 4.340 0.000 0.000 0.223 182 L C 2.710 179.561 176.870 -0.031 0.000 1.140 182 L CA 0.933 55.743 54.840 -0.051 0.000 0.842 182 L CB -0.507 41.503 42.059 -0.083 0.000 0.953 182 L HN 0.590 nan 8.230 nan 0.000 0.452 183 S N 0.251 115.930 115.700 -0.035 0.000 2.400 183 S HA -0.145 4.325 4.470 0.000 0.000 0.232 183 S C 1.785 176.378 174.600 -0.011 0.000 1.025 183 S CA 1.258 59.445 58.200 -0.022 0.000 0.993 183 S CB -0.667 62.518 63.200 -0.025 0.000 0.808 183 S HN 0.439 nan 8.310 nan 0.000 0.478 184 G N 0.474 109.268 108.800 -0.009 0.000 3.284 184 G HA2 0.422 4.382 3.960 0.000 0.000 0.236 184 G HA3 0.422 4.382 3.960 0.000 0.000 0.236 184 G C 0.354 175.255 174.900 0.001 0.000 1.158 184 G CA -0.467 44.630 45.100 -0.004 0.000 0.774 184 G HN 0.505 nan 8.290 nan 0.000 0.545 185 L N 2.747 123.973 121.223 0.004 0.000 2.480 185 L HA 0.159 4.499 4.340 0.000 0.000 0.243 185 L C 1.711 178.590 176.870 0.015 0.000 1.315 185 L CA -0.186 54.661 54.840 0.011 0.000 1.231 185 L CB -0.065 42.003 42.059 0.015 0.000 1.444 185 L HN 0.182 nan 8.230 nan 0.000 0.409 186 T N -5.197 109.364 114.554 0.012 0.000 3.215 186 T HA -0.005 4.345 4.350 0.000 0.000 0.254 186 T C 1.324 176.033 174.700 0.014 0.000 1.149 186 T CA 0.189 62.297 62.100 0.012 0.000 1.042 186 T CB 0.126 68.999 68.868 0.009 0.000 0.966 186 T HN 0.333 nan 8.240 nan 0.000 0.534 187 S N 0.438 116.148 115.700 0.016 0.000 2.539 187 S HA 0.391 4.861 4.470 0.000 0.000 0.221 187 S C 0.471 175.083 174.600 0.021 0.000 0.987 187 S CA -0.515 57.694 58.200 0.016 0.000 0.929 187 S CB -0.112 63.097 63.200 0.015 0.000 0.832 187 S HN 0.481 nan 8.310 nan 0.000 0.492 188 L N 2.344 123.583 121.223 0.026 0.000 2.477 188 L HA 0.118 4.458 4.340 0.000 0.000 0.272 188 L C 1.327 178.214 176.870 0.030 0.000 1.157 188 L CA 0.229 55.089 54.840 0.033 0.000 0.889 188 L CB 0.539 42.625 42.059 0.045 0.000 1.158 188 L HN 0.260 nan 8.230 nan 0.000 0.473 189 Q N 2.013 121.829 119.800 0.027 0.000 2.394 189 Q HA 0.130 4.470 4.340 0.000 0.000 0.218 189 Q C -0.199 175.814 176.000 0.021 0.000 0.907 189 Q CA 0.447 56.263 55.803 0.021 0.000 0.919 189 Q CB 0.679 29.427 28.738 0.016 0.000 1.051 189 Q HN 0.632 nan 8.270 nan 0.000 0.538 190 Q N 0.773 120.589 119.800 0.027 0.000 2.321 190 Q HA 0.586 4.926 4.340 0.000 0.000 0.270 190 Q C -1.803 174.220 176.000 0.039 0.000 1.032 190 Q CA -0.491 55.325 55.803 0.023 0.000 0.784 190 Q CB 2.549 31.298 28.738 0.019 0.000 1.264 190 Q HN -0.016 nan 8.270 nan 0.000 0.448 191 L N 1.712 122.956 121.223 0.034 0.000 2.482 191 L HA 0.711 5.051 4.340 0.000 0.000 0.263 191 L C -1.519 175.351 176.870 0.001 0.000 0.957 191 L CA -0.039 54.842 54.840 0.067 0.000 0.836 191 L CB 2.465 44.601 42.059 0.127 0.000 1.324 191 L HN 0.705 nan 8.230 nan 0.000 0.406 192 S N 3.043 118.753 115.700 0.017 0.000 2.546 192 S HA 0.956 5.426 4.470 0.000 0.000 0.274 192 S C -1.007 173.600 174.600 0.011 0.000 1.121 192 S CA -0.548 57.572 58.200 -0.132 0.000 0.887 192 S CB 1.766 64.898 63.200 -0.114 0.000 1.094 192 S HN 0.933 nan 8.310 nan 0.000 0.474 193 F N -1.426 118.534 119.950 0.018 0.000 2.713 193 F HA 0.985 5.512 4.527 0.000 0.000 0.311 193 F C -0.194 175.617 175.800 0.019 0.000 1.141 193 F CA -0.296 57.720 58.000 0.027 0.000 0.939 193 F CB 1.095 40.109 39.000 0.023 0.000 1.325 193 F HN 1.095 nan 8.300 nan 0.000 0.453 194 G N 0.597 109.573 108.800 0.293 0.000 2.506 194 G HA2 0.389 4.350 3.960 0.000 0.000 0.292 194 G HA3 0.389 4.350 3.960 0.000 0.000 0.292 194 G C -1.792 173.197 174.900 0.148 0.000 1.425 194 G CA -0.552 44.662 45.100 0.189 0.000 0.788 194 G HN 1.236 nan 8.290 nan 0.000 0.490 195 N N -1.587 117.175 118.700 0.102 0.000 2.241 195 N HA 0.098 4.838 4.740 0.000 0.000 0.238 195 N C 0.388 175.940 175.510 0.070 0.000 1.244 195 N CA -0.140 52.957 53.050 0.079 0.000 0.880 195 N CB 1.078 39.595 38.487 0.050 0.000 1.179 195 N HN 0.530 nan 8.380 nan 0.000 0.513 196 Q N 0.147 119.994 119.800 0.077 0.000 2.135 196 Q HA 0.307 4.647 4.340 0.000 0.000 0.222 196 Q C -0.702 175.335 176.000 0.061 0.000 0.808 196 Q CA -0.216 55.621 55.803 0.056 0.000 1.049 196 Q CB 1.703 30.464 28.738 0.038 0.000 1.168 196 Q HN 0.073 nan 8.270 nan 0.000 0.483 197 V N 1.254 121.229 119.914 0.102 0.000 2.470 197 V HA 0.027 4.147 4.120 0.000 0.000 0.276 197 V C 0.919 177.066 176.094 0.088 0.000 1.040 197 V CA 0.796 63.156 62.300 0.099 0.000 1.008 197 V CB 1.229 33.173 31.823 0.201 0.000 0.990 197 V HN 0.338 nan 8.190 nan 0.000 0.477 198 T N 1.849 116.433 114.554 0.050 0.000 3.018 198 T HA 0.068 4.418 4.350 0.000 0.000 0.246 198 T C 0.461 175.182 174.700 0.036 0.000 1.026 198 T CA 0.097 62.221 62.100 0.041 0.000 1.081 198 T CB 0.129 69.011 68.868 0.024 0.000 0.970 198 T HN 0.658 nan 8.240 nan 0.000 0.475 199 D N 1.355 121.767 120.400 0.019 0.000 2.412 199 D HA 0.292 4.932 4.640 0.000 0.000 0.224 199 D C 0.540 176.840 176.300 0.000 0.000 1.093 199 D CA -0.356 53.648 54.000 0.007 0.000 0.850 199 D CB 0.649 41.443 40.800 -0.010 0.000 1.046 199 D HN 0.130 nan 8.370 nan 0.000 0.507 200 L N 3.349 124.589 121.223 0.028 0.000 2.592 200 L HA 0.128 4.468 4.340 0.000 0.000 0.227 200 L C 2.073 178.952 176.870 0.015 0.000 1.127 200 L CA -0.035 54.831 54.840 0.043 0.000 0.884 200 L CB 0.050 42.166 42.059 0.095 0.000 1.065 200 L HN 0.276 nan 8.230 nan 0.000 0.457 201 K N 0.824 121.225 120.400 0.001 0.000 2.127 201 K HA -0.192 4.128 4.320 0.000 0.000 0.208 201 K C -0.542 176.050 176.600 -0.012 0.000 1.047 201 K CA 1.507 57.792 56.287 -0.003 0.000 0.927 201 K CB -1.009 31.487 32.500 -0.007 0.000 0.716 201 K HN 0.275 nan 8.250 nan 0.000 0.450 202 P HA -0.129 nan 4.420 nan 0.000 0.223 202 P C 0.665 177.950 177.300 -0.026 0.000 1.144 202 P CA 1.001 64.076 63.100 -0.042 0.000 0.783 202 P CB 0.044 31.696 31.700 -0.080 0.000 0.771 203 L N -1.874 119.346 121.223 -0.005 0.000 2.552 203 L HA 0.040 4.380 4.340 0.000 0.000 0.227 203 L C 2.276 179.160 176.870 0.023 0.000 1.146 203 L CA 0.412 55.267 54.840 0.025 0.000 0.858 203 L CB -0.895 41.204 42.059 0.068 0.000 0.969 203 L HN -0.026 nan 8.230 nan 0.000 0.451 204 A N 1.115 123.943 122.820 0.013 0.000 1.892 204 A HA -0.232 4.088 4.320 0.000 0.000 0.218 204 A C 1.838 179.428 177.584 0.011 0.000 1.188 204 A CA 2.034 54.078 52.037 0.012 0.000 0.631 204 A CB -0.437 18.567 19.000 0.006 0.000 0.822 204 A HN 0.466 nan 8.150 nan 0.000 0.447 205 N N -0.154 118.551 118.700 0.008 0.000 2.383 205 N HA 0.121 4.861 4.740 0.000 0.000 0.192 205 N C 0.064 175.581 175.510 0.012 0.000 1.141 205 N CA 0.241 53.295 53.050 0.008 0.000 0.851 205 N CB 0.055 38.545 38.487 0.004 0.000 0.976 205 N HN 0.471 nan 8.380 nan 0.000 0.465 206 L N 1.571 122.804 121.223 0.017 0.000 2.796 206 L HA 0.141 4.481 4.340 0.000 0.000 0.235 206 L C 1.459 178.342 176.870 0.022 0.000 1.344 206 L CA -0.095 54.758 54.840 0.022 0.000 1.245 206 L CB -0.661 41.418 42.059 0.033 0.000 1.556 206 L HN 0.067 nan 8.230 nan 0.000 0.423 207 T N -4.958 109.606 114.554 0.017 0.000 3.007 207 T HA -0.143 4.208 4.350 0.000 0.000 0.270 207 T C 1.817 176.526 174.700 0.014 0.000 1.107 207 T CA 1.211 63.319 62.100 0.014 0.000 1.118 207 T CB -0.396 68.479 68.868 0.011 0.000 0.889 207 T HN 0.549 nan 8.240 nan 0.000 0.506 208 T N 0.423 114.986 114.554 0.015 0.000 3.072 208 T HA 0.216 4.566 4.350 0.000 0.000 0.266 208 T C 0.825 175.535 174.700 0.016 0.000 1.127 208 T CA -0.143 61.965 62.100 0.014 0.000 1.107 208 T CB -0.803 68.074 68.868 0.015 0.000 0.910 208 T HN 0.396 nan 8.240 nan 0.000 0.513 209 L N 1.898 123.133 121.223 0.021 0.000 2.559 209 L HA 0.101 4.441 4.340 0.000 0.000 0.274 209 L C 1.362 178.240 176.870 0.014 0.000 1.205 209 L CA 0.370 55.223 54.840 0.023 0.000 0.907 209 L CB 0.409 42.487 42.059 0.032 0.000 1.153 209 L HN 0.287 nan 8.230 nan 0.000 0.490 210 E N 2.784 122.990 120.200 0.010 0.000 2.364 210 E HA 0.161 4.512 4.350 0.000 0.000 0.203 210 E C -0.148 176.451 176.600 -0.003 0.000 0.888 210 E CA 0.122 56.525 56.400 0.004 0.000 0.989 210 E CB 0.654 30.356 29.700 0.003 0.000 0.985 210 E HN 0.502 nan 8.360 nan 0.000 0.499 211 R N 1.198 121.696 120.500 -0.004 0.000 2.507 211 R HA 0.397 4.737 4.340 0.000 0.000 0.298 211 R C -1.588 174.699 176.300 -0.022 0.000 1.087 211 R CA -0.549 55.542 56.100 -0.016 0.000 0.917 211 R CB 1.831 32.121 30.300 -0.018 0.000 1.173 211 R HN -0.078 nan 8.270 nan 0.000 0.472 212 L N 2.005 123.206 121.223 -0.036 0.000 2.346 212 L HA 0.532 4.872 4.340 0.000 0.000 0.276 212 L C -1.188 175.616 176.870 -0.111 0.000 1.006 212 L CA -0.323 54.481 54.840 -0.060 0.000 0.817 212 L CB 1.883 43.922 42.059 -0.034 0.000 1.272 212 L HN 0.463 nan 8.230 nan 0.000 0.421 213 D N 4.379 124.669 120.400 -0.183 0.000 2.421 213 D HA 0.276 4.916 4.640 0.000 0.000 0.254 213 D C 0.083 176.148 176.300 -0.392 0.000 1.238 213 D CA -0.211 53.656 54.000 -0.222 0.000 0.919 213 D CB 0.775 41.465 40.800 -0.184 0.000 1.152 213 D HN 0.576 nan 8.370 nan 0.000 0.552 214 I N 0.166 120.518 120.570 -0.364 0.000 3.889 214 I HA 0.360 4.530 4.170 0.000 0.000 0.332 214 I C -0.056 175.921 176.117 -0.234 0.000 1.493 214 I CA -0.559 60.470 61.300 -0.452 0.000 1.158 214 I CB 0.301 38.120 38.000 -0.302 0.000 1.117 214 I HN -0.062 nan 8.210 nan 0.000 0.411 215 S N 1.071 116.657 115.700 -0.189 0.000 2.568 215 S HA 0.105 4.575 4.470 0.000 0.000 0.282 215 S C 0.976 175.525 174.600 -0.086 0.000 1.338 215 S CA 0.203 58.334 58.200 -0.115 0.000 1.045 215 S CB 0.609 63.745 63.200 -0.107 0.000 0.873 215 S HN 0.638 nan 8.310 nan 0.000 0.516 216 S N 1.505 117.174 115.700 -0.051 0.000 3.783 216 S HA -0.133 4.337 4.470 0.000 0.000 0.360 216 S C 0.088 174.686 174.600 -0.003 0.000 1.006 216 S CA 0.353 58.538 58.200 -0.025 0.000 1.115 216 S CB -1.535 61.650 63.200 -0.026 0.000 0.893 216 S HN 0.742 nan 8.310 nan 0.000 0.475 217 N N 0.669 119.373 118.700 0.006 0.000 2.879 217 N HA 0.415 5.156 4.740 0.000 0.000 0.329 217 N C 0.223 175.753 175.510 0.033 0.000 1.337 217 N CA -0.728 52.348 53.050 0.042 0.000 0.844 217 N CB 0.587 39.123 38.487 0.081 0.000 1.236 217 N HN 0.175 nan 8.380 nan 0.000 0.601 218 K N 0.695 121.122 120.400 0.045 0.000 2.981 218 K HA 0.340 4.660 4.320 0.000 0.000 0.213 218 K C -0.837 175.783 176.600 0.034 0.000 1.154 218 K CA -0.155 56.151 56.287 0.031 0.000 1.111 218 K CB 0.610 33.127 32.500 0.028 0.000 0.975 218 K HN 0.138 nan 8.250 nan 0.000 0.462 219 V N 1.706 121.643 119.914 0.037 0.000 2.432 219 V HA 0.035 4.155 4.120 0.000 0.000 0.275 219 V C 1.097 177.204 176.094 0.022 0.000 1.043 219 V CA 0.079 62.402 62.300 0.038 0.000 0.925 219 V CB 1.350 33.203 31.823 0.050 0.000 0.985 219 V HN 0.491 nan 8.190 nan 0.000 0.466 220 S N 2.075 117.787 115.700 0.020 0.000 2.641 220 S HA 0.111 4.581 4.470 0.000 0.000 0.239 220 S C 0.584 175.193 174.600 0.014 0.000 1.081 220 S CA -0.072 58.135 58.200 0.013 0.000 0.904 220 S CB 0.141 63.346 63.200 0.010 0.000 0.803 220 S HN 0.655 nan 8.310 nan 0.000 0.510 221 D N 2.401 122.812 120.400 0.018 0.000 2.411 221 D HA 0.282 4.922 4.640 0.000 0.000 0.225 221 D C 0.529 176.843 176.300 0.023 0.000 1.156 221 D CA -0.593 53.418 54.000 0.017 0.000 0.874 221 D CB 0.503 41.312 40.800 0.016 0.000 1.034 221 D HN 0.580 nan 8.370 nan 0.000 0.502 222 I N 0.927 121.509 120.570 0.020 0.000 3.889 222 I HA 0.144 4.314 4.170 0.000 0.000 0.332 222 I C 1.426 177.555 176.117 0.019 0.000 1.493 222 I CA -0.422 60.892 61.300 0.023 0.000 1.158 222 I CB 0.073 38.083 38.000 0.016 0.000 1.117 222 I HN 0.141 nan 8.210 nan 0.000 0.411 223 S N 0.544 116.254 115.700 0.016 0.000 2.400 223 S HA -0.191 4.279 4.470 0.000 0.000 0.232 223 S C 1.864 176.472 174.600 0.015 0.000 1.025 223 S CA 1.361 59.569 58.200 0.013 0.000 0.993 223 S CB -0.828 62.378 63.200 0.010 0.000 0.808 223 S HN 0.450 nan 8.310 nan 0.000 0.478 224 V N 1.987 121.913 119.914 0.020 0.000 2.594 224 V HA -0.045 4.075 4.120 0.000 0.000 0.253 224 V C 2.200 178.308 176.094 0.024 0.000 1.069 224 V CA 1.548 63.861 62.300 0.022 0.000 1.082 224 V CB -0.678 31.161 31.823 0.027 0.000 0.680 224 V HN 0.623 nan 8.190 nan 0.000 0.469 225 L N 0.126 121.365 121.223 0.025 0.000 2.261 225 L HA -0.128 4.212 4.340 0.000 0.000 0.216 225 L C 2.712 179.591 176.870 0.015 0.000 1.114 225 L CA 1.291 56.145 54.840 0.023 0.000 0.777 225 L CB -0.982 41.089 42.059 0.019 0.000 0.910 225 L HN 0.432 nan 8.230 nan 0.000 0.440 226 A N 0.538 123.365 122.820 0.012 0.000 2.024 226 A HA -0.220 4.100 4.320 0.000 0.000 0.220 226 A C 2.305 179.894 177.584 0.009 0.000 1.164 226 A CA 1.617 53.659 52.037 0.009 0.000 0.643 226 A CB -0.308 18.697 19.000 0.007 0.000 0.806 226 A HN 0.373 nan 8.150 nan 0.000 0.451 227 K N -0.516 119.890 120.400 0.011 0.000 2.288 227 K HA 0.106 4.426 4.320 0.000 0.000 0.201 227 K C 0.086 176.693 176.600 0.012 0.000 1.048 227 K CA 0.441 56.734 56.287 0.011 0.000 0.956 227 K CB -0.156 32.352 32.500 0.012 0.000 0.746 227 K HN 0.448 nan 8.250 nan 0.000 0.461 228 L N 2.472 123.703 121.223 0.014 0.000 2.648 228 L HA 0.088 4.428 4.340 0.000 0.000 0.238 228 L C 1.156 178.032 176.870 0.010 0.000 1.316 228 L CA -0.264 54.585 54.840 0.015 0.000 1.241 228 L CB -0.401 41.670 42.059 0.021 0.000 1.499 228 L HN 0.194 nan 8.230 nan 0.000 0.411 229 T N -4.189 110.369 114.554 0.008 0.000 3.051 229 T HA -0.071 4.280 4.350 0.000 0.000 0.269 229 T C 1.312 176.015 174.700 0.004 0.000 1.127 229 T CA 0.562 62.665 62.100 0.006 0.000 1.107 229 T CB -0.142 68.729 68.868 0.005 0.000 0.898 229 T HN 0.374 nan 8.240 nan 0.000 0.517 230 N N 0.947 119.650 118.700 0.006 0.000 2.398 230 N HA 0.217 4.957 4.740 0.000 0.000 0.188 230 N C 0.097 175.609 175.510 0.003 0.000 1.122 230 N CA -0.005 53.048 53.050 0.005 0.000 0.866 230 N CB -0.045 38.445 38.487 0.006 0.000 0.970 230 N HN 0.476 nan 8.380 nan 0.000 0.462 231 L N 1.275 122.500 121.223 0.003 0.000 2.462 231 L HA 0.006 4.346 4.340 0.000 0.000 0.272 231 L C 1.300 178.168 176.870 -0.004 0.000 1.166 231 L CA 0.335 55.175 54.840 -0.000 0.000 0.880 231 L CB 0.657 42.716 42.059 -0.001 0.000 1.142 231 L HN 0.064 nan 8.230 nan 0.000 0.473 232 E N 0.809 121.005 120.200 -0.006 0.000 2.290 232 E HA 0.048 4.398 4.350 0.000 0.000 0.197 232 E C 0.143 176.735 176.600 -0.014 0.000 0.948 232 E CA 0.068 56.463 56.400 -0.009 0.000 0.895 232 E CB 0.858 30.554 29.700 -0.008 0.000 0.865 232 E HN 0.468 nan 8.360 nan 0.000 0.486 233 S N 0.740 116.430 115.700 -0.018 0.000 2.614 233 S HA 0.493 4.963 4.470 0.000 0.000 0.288 233 S C -1.789 172.792 174.600 -0.031 0.000 1.137 233 S CA -0.751 57.433 58.200 -0.026 0.000 0.992 233 S CB 1.033 64.215 63.200 -0.030 0.000 1.026 233 S HN 0.084 nan 8.310 nan 0.000 0.486 234 L N 6.573 127.775 121.223 -0.035 0.000 2.372 234 L HA 0.672 5.013 4.340 0.000 0.000 0.273 234 L C -1.653 175.185 176.870 -0.052 0.000 0.989 234 L CA -0.481 54.334 54.840 -0.042 0.000 0.841 234 L CB 1.308 43.349 42.059 -0.030 0.000 1.225 234 L HN 0.592 nan 8.230 nan 0.000 0.414 235 I N 5.248 125.776 120.570 -0.071 0.000 2.362 235 I HA 0.608 4.778 4.170 0.000 0.000 0.289 235 I C 0.483 176.545 176.117 -0.092 0.000 0.994 235 I CA -0.399 60.854 61.300 -0.079 0.000 1.158 235 I CB 1.186 39.132 38.000 -0.090 0.000 1.315 235 I HN 0.774 nan 8.210 nan 0.000 0.451 236 A N 4.111 126.887 122.820 -0.073 0.000 2.843 236 A HA 0.352 4.672 4.320 0.000 0.000 0.248 236 A C 0.530 178.081 177.584 -0.055 0.000 0.904 236 A CA -0.402 51.593 52.037 -0.069 0.000 1.091 236 A CB -0.081 18.889 19.000 -0.051 0.000 1.208 236 A HN 0.693 nan 8.150 nan 0.000 0.476 237 T N -2.088 112.430 114.554 -0.059 0.000 2.860 237 T HA 0.369 4.719 4.350 0.000 0.000 0.299 237 T C 0.550 175.225 174.700 -0.042 0.000 1.045 237 T CA 0.383 62.455 62.100 -0.047 0.000 1.071 237 T CB 0.459 69.297 68.868 -0.049 0.000 0.985 237 T HN 0.919 nan 8.240 nan 0.000 0.537 238 N N 1.747 120.428 118.700 -0.032 0.000 2.714 238 N HA -0.178 4.563 4.740 0.000 0.000 0.253 238 N C -0.784 174.715 175.510 -0.019 0.000 1.024 238 N CA 0.589 53.624 53.050 -0.024 0.000 0.726 238 N CB -1.523 36.948 38.487 -0.026 0.000 0.908 238 N HN 0.757 nan 8.380 nan 0.000 0.542 239 N N 0.046 118.737 118.700 -0.016 0.000 3.294 239 N HA 0.360 5.100 4.740 0.000 0.000 0.355 239 N C -0.293 175.214 175.510 -0.005 0.000 1.497 239 N CA -0.370 52.675 53.050 -0.008 0.000 0.707 239 N CB 0.412 38.894 38.487 -0.009 0.000 1.732 239 N HN 0.283 nan 8.380 nan 0.000 0.640 240 Q N 0.635 120.435 119.800 -0.000 0.000 2.233 240 Q HA 0.458 4.798 4.340 0.000 0.000 0.340 240 Q C -0.709 175.292 176.000 0.000 0.000 0.899 240 Q CA -0.095 55.708 55.803 0.000 0.000 1.139 240 Q CB 0.418 29.158 28.738 0.003 0.000 1.273 240 Q HN 0.404 nan 8.270 nan 0.000 0.431 241 I N 1.050 121.619 120.570 -0.002 0.000 2.371 241 I HA 0.038 4.209 4.170 0.000 0.000 0.290 241 I C 1.101 177.216 176.117 -0.003 0.000 1.028 241 I CA 0.153 61.452 61.300 -0.001 0.000 1.345 241 I CB 1.319 39.317 38.000 -0.003 0.000 1.407 241 I HN 0.239 nan 8.210 nan 0.000 0.501 242 S N 1.947 117.646 115.700 -0.001 0.000 2.549 242 S HA 0.114 4.584 4.470 0.000 0.000 0.225 242 S C 0.185 174.784 174.600 -0.002 0.000 1.039 242 S CA -0.366 57.833 58.200 -0.002 0.000 0.942 242 S CB 0.182 63.381 63.200 -0.002 0.000 0.881 242 S HN 0.648 nan 8.310 nan 0.000 0.503 243 D N 1.993 122.392 120.400 -0.000 0.000 2.453 243 D HA 0.374 5.014 4.640 0.000 0.000 0.238 243 D C 0.499 176.799 176.300 0.000 0.000 1.088 243 D CA -0.755 53.246 54.000 0.000 0.000 0.854 243 D CB 0.937 41.738 40.800 0.002 0.000 1.076 243 D HN 0.439 nan 8.370 nan 0.000 0.533 244 I N 1.009 121.579 120.570 -0.001 0.000 3.904 244 I HA 0.167 4.337 4.170 0.000 0.000 0.333 244 I C 1.450 177.566 176.117 -0.001 0.000 1.361 244 I CA -0.200 61.099 61.300 -0.002 0.000 1.116 244 I CB -0.023 37.975 38.000 -0.004 0.000 1.028 244 I HN 0.236 nan 8.210 nan 0.000 0.398 245 T N -0.591 113.963 114.554 0.000 0.000 2.803 245 T HA 0.017 4.367 4.350 0.000 0.000 0.269 245 T C -0.320 174.381 174.700 0.002 0.000 1.052 245 T CA 1.077 63.178 62.100 0.001 0.000 1.136 245 T CB -1.869 67.000 68.868 0.001 0.000 0.864 245 T HN 0.305 nan 8.240 nan 0.000 0.467 246 P HA 0.082 nan 4.420 nan 0.000 0.221 246 P C 1.353 178.655 177.300 0.003 0.000 1.145 246 P CA 0.696 63.799 63.100 0.004 0.000 0.795 246 P CB -0.319 31.386 31.700 0.007 0.000 0.775 247 L N -1.830 119.393 121.223 0.001 0.000 2.465 247 L HA 0.027 4.367 4.340 0.000 0.000 0.224 247 L C 2.488 179.358 176.870 -0.000 0.000 1.145 247 L CA 0.856 55.696 54.840 -0.000 0.000 0.834 247 L CB -1.351 40.707 42.059 -0.003 0.000 0.944 247 L HN 0.064 nan 8.230 nan 0.000 0.451 248 G N 2.105 110.905 108.800 0.000 0.000 2.469 248 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 248 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 248 G C 1.430 176.330 174.900 -0.000 0.000 1.150 248 G CA 1.211 46.310 45.100 -0.000 0.000 0.763 248 G HN 0.630 nan 8.290 nan 0.000 0.561 249 I N -1.955 118.615 120.570 0.001 0.000 3.812 249 I HA 0.384 4.554 4.170 0.000 0.000 0.320 249 I C 0.194 176.312 176.117 0.001 0.000 1.276 249 I CA -0.360 60.941 61.300 0.001 0.000 1.164 249 I CB 0.254 38.255 38.000 0.002 0.000 1.009 249 I HN -0.185 nan 8.210 nan 0.000 0.431 250 L N 2.958 124.182 121.223 0.000 0.000 2.583 250 L HA 0.177 4.517 4.340 0.000 0.000 0.239 250 L C 1.788 178.657 176.870 -0.002 0.000 1.347 250 L CA 0.480 55.319 54.840 -0.000 0.000 1.246 250 L CB -0.501 41.558 42.059 -0.000 0.000 1.496 250 L HN 0.364 nan 8.230 nan 0.000 0.413 251 T N -3.946 110.607 114.554 -0.001 0.000 3.035 251 T HA -0.106 4.244 4.350 0.000 0.000 0.268 251 T C 1.568 176.266 174.700 -0.002 0.000 1.109 251 T CA 0.885 62.984 62.100 -0.002 0.000 1.119 251 T CB -0.128 68.739 68.868 -0.001 0.000 0.900 251 T HN 0.246 nan 8.240 nan 0.000 0.503 252 N N 0.395 119.093 118.700 -0.002 0.000 2.461 252 N HA 0.185 4.925 4.740 0.000 0.000 0.188 252 N C -0.125 175.382 175.510 -0.005 0.000 1.134 252 N CA -0.144 52.904 53.050 -0.003 0.000 0.878 252 N CB -0.661 37.825 38.487 -0.002 0.000 0.972 252 N HN 0.490 nan 8.380 nan 0.000 0.456 253 L N 1.045 122.265 121.223 -0.006 0.000 2.534 253 L HA 0.015 4.355 4.340 0.000 0.000 0.271 253 L C 0.898 177.762 176.870 -0.009 0.000 1.178 253 L CA -0.041 54.794 54.840 -0.008 0.000 0.907 253 L CB 0.631 42.684 42.059 -0.009 0.000 1.164 253 L HN 0.282 nan 8.230 nan 0.000 0.482 254 D N 0.716 121.109 120.400 -0.011 0.000 2.423 254 D HA 0.002 4.642 4.640 0.000 0.000 0.212 254 D C 0.389 176.680 176.300 -0.015 0.000 1.060 254 D CA -0.099 53.894 54.000 -0.012 0.000 0.872 254 D CB 0.488 41.281 40.800 -0.011 0.000 1.012 254 D HN 0.458 nan 8.370 nan 0.000 0.503 255 E N -0.115 120.074 120.200 -0.019 0.000 2.246 255 E HA 0.498 4.848 4.350 0.000 0.000 0.266 255 E C -2.030 174.555 176.600 -0.025 0.000 0.880 255 E CA -1.066 55.320 56.400 -0.024 0.000 0.762 255 E CB 1.649 31.332 29.700 -0.028 0.000 1.180 255 E HN 0.073 nan 8.360 nan 0.000 0.416 256 L N 3.338 124.545 121.223 -0.026 0.000 2.470 256 L HA 0.492 4.832 4.340 0.000 0.000 0.268 256 L C -1.695 175.157 176.870 -0.029 0.000 0.964 256 L CA -0.210 54.614 54.840 -0.026 0.000 0.839 256 L CB 2.147 44.193 42.059 -0.020 0.000 1.276 256 L HN 0.386 nan 8.230 nan 0.000 0.403 257 S N 5.244 120.923 115.700 -0.035 0.000 2.707 257 S HA 0.612 5.082 4.470 0.000 0.000 0.312 257 S C -0.250 174.328 174.600 -0.036 0.000 1.116 257 S CA -0.420 57.758 58.200 -0.037 0.000 1.078 257 S CB 0.521 63.694 63.200 -0.045 0.000 0.997 257 S HN 0.681 nan 8.310 nan 0.000 0.477 258 L N 3.963 125.169 121.223 -0.030 0.000 3.110 258 L HA 0.382 4.722 4.340 0.000 0.000 0.266 258 L C 0.792 177.647 176.870 -0.025 0.000 1.257 258 L CA -0.387 54.437 54.840 -0.027 0.000 1.038 258 L CB 0.064 42.111 42.059 -0.021 0.000 1.395 258 L HN 0.560 nan 8.230 nan 0.000 0.566 259 N N 2.153 120.836 118.700 -0.028 0.000 2.411 259 N HA -0.008 4.733 4.740 0.000 0.000 0.261 259 N C 0.893 176.387 175.510 -0.026 0.000 1.248 259 N CA 1.536 54.570 53.050 -0.026 0.000 0.885 259 N CB 0.889 39.358 38.487 -0.030 0.000 1.062 259 N HN 0.432 nan 8.380 nan 0.000 0.471 260 G N 2.435 111.222 108.800 -0.022 0.000 2.326 260 G HA2 -0.216 3.744 3.960 0.000 0.000 0.286 260 G HA3 -0.216 3.744 3.960 0.000 0.000 0.286 260 G C -0.143 174.746 174.900 -0.019 0.000 1.096 260 G CA -0.181 44.907 45.100 -0.021 0.000 1.003 260 G HN 0.735 nan 8.290 nan 0.000 0.503 261 N N -0.913 117.777 118.700 -0.017 0.000 3.427 261 N HA 0.454 5.195 4.740 0.000 0.000 0.364 261 N C 0.369 175.872 175.510 -0.012 0.000 1.538 261 N CA -0.604 52.437 53.050 -0.013 0.000 0.662 261 N CB 0.685 39.164 38.487 -0.014 0.000 1.881 261 N HN 0.276 nan 8.380 nan 0.000 0.634 262 Q N 0.884 120.679 119.800 -0.009 0.000 2.217 262 Q HA 0.425 4.765 4.340 0.000 0.000 0.340 262 Q C -0.724 175.272 176.000 -0.007 0.000 0.893 262 Q CA -0.131 55.667 55.803 -0.008 0.000 1.142 262 Q CB 0.531 29.265 28.738 -0.006 0.000 1.288 262 Q HN 0.307 nan 8.270 nan 0.000 0.426 263 L N 0.532 121.750 121.223 -0.009 0.000 2.397 263 L HA 0.238 4.579 4.340 0.000 0.000 0.271 263 L C 0.946 177.812 176.870 -0.007 0.000 1.148 263 L CA 0.323 55.159 54.840 -0.008 0.000 0.825 263 L CB 0.821 42.874 42.059 -0.009 0.000 1.117 263 L HN 0.224 nan 8.230 nan 0.000 0.456 264 K N 0.720 121.116 120.400 -0.006 0.000 2.638 264 K HA 0.043 4.363 4.320 0.000 0.000 0.207 264 K C 0.001 176.599 176.600 -0.005 0.000 1.429 264 K CA -0.374 55.910 56.287 -0.005 0.000 0.957 264 K CB 0.483 32.980 32.500 -0.004 0.000 1.733 264 K HN 0.575 nan 8.250 nan 0.000 0.474 265 D N 2.195 122.592 120.400 -0.004 0.000 2.344 265 D HA 0.057 4.698 4.640 0.000 0.000 0.253 265 D C 0.445 176.743 176.300 -0.004 0.000 1.255 265 D CA -0.187 53.811 54.000 -0.003 0.000 0.894 265 D CB 0.557 41.356 40.800 -0.002 0.000 1.067 265 D HN 0.402 nan 8.370 nan 0.000 0.492 266 I N 0.854 121.422 120.570 -0.004 0.000 3.889 266 I HA 0.421 4.591 4.170 0.000 0.000 0.332 266 I C 1.551 177.666 176.117 -0.004 0.000 1.493 266 I CA -0.771 60.526 61.300 -0.005 0.000 1.158 266 I CB 0.555 38.551 38.000 -0.006 0.000 1.117 266 I HN 0.305 nan 8.210 nan 0.000 0.411 267 G N 1.655 110.453 108.800 -0.003 0.000 2.469 267 G HA2 -0.247 3.713 3.960 0.000 0.000 0.220 267 G HA3 -0.247 3.713 3.960 0.000 0.000 0.220 267 G C 1.402 176.300 174.900 -0.003 0.000 1.136 267 G CA 1.702 46.801 45.100 -0.003 0.000 0.759 267 G HN 0.428 nan 8.290 nan 0.000 0.562 268 T N 1.538 116.090 114.554 -0.003 0.000 2.803 268 T HA -0.063 4.287 4.350 0.000 0.000 0.269 268 T C 2.347 177.045 174.700 -0.003 0.000 1.052 268 T CA 0.879 62.978 62.100 -0.002 0.000 1.136 268 T CB -0.199 68.668 68.868 -0.002 0.000 0.864 268 T HN 0.223 nan 8.240 nan 0.000 0.467 269 L N 0.837 122.057 121.223 -0.004 0.000 2.187 269 L HA -0.106 4.234 4.340 0.000 0.000 0.213 269 L C 3.003 179.870 176.870 -0.004 0.000 1.100 269 L CA 0.921 55.758 54.840 -0.005 0.000 0.765 269 L CB -0.813 41.242 42.059 -0.006 0.000 0.904 269 L HN 0.250 nan 8.230 nan 0.000 0.437 270 A N -0.302 122.516 122.820 -0.003 0.000 2.024 270 A HA -0.189 4.131 4.320 0.000 0.000 0.220 270 A C 2.479 180.062 177.584 -0.003 0.000 1.164 270 A CA 2.047 54.083 52.037 -0.003 0.000 0.643 270 A CB -0.446 18.553 19.000 -0.002 0.000 0.806 270 A HN 0.415 nan 8.150 nan 0.000 0.451 271 S N -0.441 115.257 115.700 -0.003 0.000 2.453 271 S HA 0.088 4.558 4.470 0.000 0.000 0.231 271 S C 0.778 175.376 174.600 -0.003 0.000 1.005 271 S CA 0.388 58.586 58.200 -0.002 0.000 0.949 271 S CB -0.240 62.959 63.200 -0.002 0.000 0.774 271 S HN 0.503 nan 8.310 nan 0.000 0.510 272 L N 3.126 124.347 121.223 -0.003 0.000 2.648 272 L HA 0.172 4.512 4.340 0.000 0.000 0.238 272 L C 1.626 178.493 176.870 -0.004 0.000 1.316 272 L CA -0.245 54.592 54.840 -0.004 0.000 1.241 272 L CB -0.641 41.415 42.059 -0.005 0.000 1.499 272 L HN 0.282 nan 8.230 nan 0.000 0.411 273 T N -4.106 110.445 114.554 -0.004 0.000 3.035 273 T HA -0.080 4.270 4.350 0.000 0.000 0.268 273 T C 1.385 176.083 174.700 -0.004 0.000 1.109 273 T CA 0.606 62.704 62.100 -0.003 0.000 1.119 273 T CB -0.105 68.762 68.868 -0.003 0.000 0.900 273 T HN 0.355 nan 8.240 nan 0.000 0.503 274 N N 0.999 119.697 118.700 -0.004 0.000 2.461 274 N HA 0.191 4.931 4.740 0.000 0.000 0.188 274 N C 0.181 175.688 175.510 -0.006 0.000 1.134 274 N CA 0.036 53.083 53.050 -0.005 0.000 0.878 274 N CB -0.237 38.247 38.487 -0.005 0.000 0.972 274 N HN 0.484 nan 8.380 nan 0.000 0.456 275 L N 1.360 122.579 121.223 -0.007 0.000 2.534 275 L HA -0.008 4.332 4.340 0.000 0.000 0.271 275 L C 1.750 178.615 176.870 -0.008 0.000 1.178 275 L CA 0.192 55.027 54.840 -0.008 0.000 0.907 275 L CB 0.577 42.631 42.059 -0.008 0.000 1.164 275 L HN 0.150 nan 8.230 nan 0.000 0.482 276 T N -2.489 112.059 114.554 -0.010 0.000 2.990 276 T HA 0.086 4.436 4.350 0.000 0.000 0.249 276 T C 0.295 174.989 174.700 -0.011 0.000 1.039 276 T CA -0.182 61.913 62.100 -0.009 0.000 1.036 276 T CB 0.391 69.253 68.868 -0.010 0.000 0.994 276 T HN 0.450 nan 8.240 nan 0.000 0.489 277 D N 0.552 120.943 120.400 -0.015 0.000 2.686 277 D HA 0.493 5.133 4.640 0.000 0.000 0.249 277 D C -1.818 174.471 176.300 -0.019 0.000 1.260 277 D CA -0.566 53.423 54.000 -0.018 0.000 0.910 277 D CB 1.879 42.664 40.800 -0.025 0.000 1.323 277 D HN 0.244 nan 8.370 nan 0.000 0.561 278 L N 3.733 124.947 121.223 -0.016 0.000 2.409 278 L HA 0.536 4.876 4.340 0.000 0.000 0.272 278 L C -1.649 175.212 176.870 -0.016 0.000 0.980 278 L CA -0.438 54.393 54.840 -0.015 0.000 0.826 278 L CB 1.938 43.990 42.059 -0.011 0.000 1.268 278 L HN 0.188 nan 8.230 nan 0.000 0.407 279 D N 5.054 125.442 120.400 -0.020 0.000 2.462 279 D HA 0.359 4.999 4.640 0.000 0.000 0.245 279 D C -0.373 175.915 176.300 -0.020 0.000 1.122 279 D CA -0.101 53.886 54.000 -0.020 0.000 0.864 279 D CB 1.059 41.843 40.800 -0.027 0.000 1.098 279 D HN 0.648 nan 8.370 nan 0.000 0.541 280 L N 2.266 123.480 121.223 -0.016 0.000 3.066 280 L HA 0.464 4.804 4.340 0.000 0.000 0.265 280 L C 0.965 177.824 176.870 -0.018 0.000 1.232 280 L CA -0.589 54.241 54.840 -0.017 0.000 1.031 280 L CB 0.520 42.570 42.059 -0.014 0.000 1.379 280 L HN 0.297 nan 8.230 nan 0.000 0.563 281 A N 0.358 123.167 122.820 -0.018 0.000 2.425 281 A HA 0.202 4.523 4.320 0.000 0.000 0.242 281 A C 0.955 178.526 177.584 -0.021 0.000 1.077 281 A CA 0.182 52.207 52.037 -0.020 0.000 0.781 281 A CB 0.027 19.017 19.000 -0.017 0.000 1.020 281 A HN 0.551 nan 8.150 nan 0.000 0.494 282 N N 0.448 119.134 118.700 -0.022 0.000 2.726 282 N HA -0.137 4.603 4.740 0.000 0.000 0.253 282 N C -0.461 175.037 175.510 -0.020 0.000 1.059 282 N CA 1.191 54.228 53.050 -0.022 0.000 0.701 282 N CB -1.370 37.104 38.487 -0.022 0.000 0.899 282 N HN 0.809 nan 8.380 nan 0.000 0.548 283 N N 0.127 118.815 118.700 -0.019 0.000 3.455 283 N HA 0.355 5.095 4.740 0.000 0.000 0.358 283 N C -0.392 175.109 175.510 -0.015 0.000 1.580 283 N CA -0.355 52.686 53.050 -0.016 0.000 0.692 283 N CB 0.346 38.824 38.487 -0.014 0.000 1.978 283 N HN 0.279 nan 8.380 nan 0.000 0.651 284 Q N 0.649 120.442 119.800 -0.012 0.000 2.215 284 Q HA 0.464 4.804 4.340 0.000 0.000 0.337 284 Q C -0.735 175.260 176.000 -0.008 0.000 0.887 284 Q CA -0.080 55.717 55.803 -0.010 0.000 1.134 284 Q CB 0.623 29.356 28.738 -0.008 0.000 1.303 284 Q HN 0.411 nan 8.270 nan 0.000 0.421 285 I N 0.846 121.411 120.570 -0.009 0.000 2.428 285 I HA 0.057 4.227 4.170 0.000 0.000 0.289 285 I C 1.147 177.260 176.117 -0.007 0.000 1.019 285 I CA 0.194 61.489 61.300 -0.008 0.000 1.351 285 I CB 1.437 39.432 38.000 -0.009 0.000 1.412 285 I HN 0.245 nan 8.210 nan 0.000 0.513 286 S N 3.043 118.740 115.700 -0.005 0.000 2.741 286 S HA 0.116 4.586 4.470 0.000 0.000 0.245 286 S C 0.586 175.184 174.600 -0.004 0.000 1.083 286 S CA -0.291 57.907 58.200 -0.004 0.000 0.873 286 S CB 0.028 63.227 63.200 -0.002 0.000 0.814 286 S HN 0.608 nan 8.310 nan 0.000 0.476 287 N N 1.784 120.482 118.700 -0.004 0.000 2.500 287 N HA 0.384 5.124 4.740 0.000 0.000 0.236 287 N C 0.151 175.659 175.510 -0.004 0.000 1.022 287 N CA -0.393 52.655 53.050 -0.003 0.000 0.935 287 N CB 0.464 38.949 38.487 -0.003 0.000 1.147 287 N HN 0.374 nan 8.380 nan 0.000 0.512 288 L N 2.210 123.431 121.223 -0.004 0.000 2.592 288 L HA 0.204 4.545 4.340 0.000 0.000 0.227 288 L C 2.031 178.899 176.870 -0.004 0.000 1.127 288 L CA 0.057 54.894 54.840 -0.004 0.000 0.884 288 L CB -0.212 41.844 42.059 -0.005 0.000 1.065 288 L HN 0.524 nan 8.230 nan 0.000 0.457 289 A N 1.451 124.270 122.820 -0.003 0.000 1.948 289 A HA -0.147 4.173 4.320 0.000 0.000 0.220 289 A C -0.129 177.453 177.584 -0.003 0.000 1.177 289 A CA 1.652 53.687 52.037 -0.003 0.000 0.636 289 A CB -1.574 17.425 19.000 -0.002 0.000 0.815 289 A HN 0.293 nan 8.150 nan 0.000 0.449 290 P HA -0.070 nan 4.420 nan 0.000 0.225 290 P C 0.973 178.271 177.300 -0.003 0.000 1.148 290 P CA 0.725 63.823 63.100 -0.003 0.000 0.779 290 P CB -0.087 31.611 31.700 -0.003 0.000 0.780 291 L N -1.091 120.130 121.223 -0.004 0.000 2.558 291 L HA 0.022 4.362 4.340 0.000 0.000 0.225 291 L C 2.283 179.151 176.870 -0.003 0.000 1.128 291 L CA 0.754 55.592 54.840 -0.003 0.000 0.868 291 L CB -0.876 41.180 42.059 -0.004 0.000 1.006 291 L HN 0.077 nan 8.230 nan 0.000 0.454 292 S N 0.227 115.926 115.700 -0.003 0.000 2.400 292 S HA -0.137 4.333 4.470 0.000 0.000 0.232 292 S C 1.769 176.368 174.600 -0.002 0.000 1.025 292 S CA 1.254 59.452 58.200 -0.002 0.000 0.993 292 S CB -0.612 62.587 63.200 -0.002 0.000 0.808 292 S HN 0.434 nan 8.310 nan 0.000 0.478 293 G N 0.416 109.215 108.800 -0.002 0.000 3.233 293 G HA2 0.424 4.384 3.960 0.000 0.000 0.234 293 G HA3 0.424 4.384 3.960 0.000 0.000 0.234 293 G C 0.366 175.265 174.900 -0.002 0.000 1.137 293 G CA -0.454 44.645 45.100 -0.002 0.000 0.763 293 G HN 0.502 nan 8.290 nan 0.000 0.549 294 L N 2.726 123.948 121.223 -0.002 0.000 2.536 294 L HA 0.159 4.500 4.340 0.000 0.000 0.242 294 L C 1.932 178.801 176.870 -0.002 0.000 1.280 294 L CA -0.173 54.666 54.840 -0.003 0.000 1.221 294 L CB 0.023 42.080 42.059 -0.003 0.000 1.449 294 L HN 0.203 nan 8.230 nan 0.000 0.405 295 T N -3.960 110.593 114.554 -0.002 0.000 3.072 295 T HA -0.068 4.282 4.350 0.000 0.000 0.266 295 T C 1.460 176.159 174.700 -0.001 0.000 1.127 295 T CA 0.462 62.561 62.100 -0.001 0.000 1.107 295 T CB -0.040 68.828 68.868 -0.001 0.000 0.910 295 T HN 0.370 nan 8.240 nan 0.000 0.513 296 K N 0.682 121.080 120.400 -0.002 0.000 2.486 296 K HA 0.223 4.544 4.320 0.000 0.000 0.194 296 K C 0.363 176.962 176.600 -0.002 0.000 1.033 296 K CA -0.012 56.274 56.287 -0.002 0.000 1.004 296 K CB -0.218 32.281 32.500 -0.003 0.000 0.798 296 K HN 0.437 nan 8.250 nan 0.000 0.495 297 L N 2.181 123.403 121.223 -0.002 0.000 2.534 297 L HA -0.050 4.290 4.340 0.000 0.000 0.271 297 L C 1.686 178.557 176.870 0.002 0.000 1.178 297 L CA 0.130 54.970 54.840 -0.001 0.000 0.907 297 L CB 0.492 42.551 42.059 -0.000 0.000 1.164 297 L HN 0.230 nan 8.230 nan 0.000 0.482 298 T N -1.197 113.357 114.554 0.000 0.000 3.000 298 T HA 0.178 4.528 4.350 0.000 0.000 0.248 298 T C 0.537 175.241 174.700 0.007 0.000 1.034 298 T CA -0.140 61.963 62.100 0.004 0.000 1.060 298 T CB 0.349 69.216 68.868 -0.001 0.000 0.983 298 T HN 0.536 nan 8.240 nan 0.000 0.482 299 E N 0.722 120.923 120.200 0.002 0.000 2.246 299 E HA 0.603 4.953 4.350 0.000 0.000 0.266 299 E C -2.054 174.549 176.600 0.005 0.000 0.880 299 E CA -0.874 55.529 56.400 0.005 0.000 0.762 299 E CB 2.575 32.267 29.700 -0.014 0.000 1.180 299 E HN 0.157 nan 8.360 nan 0.000 0.416 300 L N 2.672 123.905 121.223 0.017 0.000 2.482 300 L HA 0.379 4.719 4.340 0.000 0.000 0.269 300 L C -1.578 175.304 176.870 0.019 0.000 0.967 300 L CA -0.392 54.456 54.840 0.012 0.000 0.851 300 L CB 1.367 43.432 42.059 0.011 0.000 1.242 300 L HN 0.340 nan 8.230 nan 0.000 0.404 301 K N 6.056 126.461 120.400 0.008 0.000 2.293 301 K HA 0.551 4.872 4.320 0.000 0.000 0.267 301 K C -0.154 176.443 176.600 -0.005 0.000 1.010 301 K CA -0.284 56.008 56.287 0.008 0.000 0.875 301 K CB 1.545 34.047 32.500 0.003 0.000 1.106 301 K HN 0.645 nan 8.250 nan 0.000 0.450 302 L N 2.018 123.235 121.223 -0.010 0.000 3.229 302 L HA 0.225 4.565 4.340 0.000 0.000 0.286 302 L C 0.811 177.661 176.870 -0.034 0.000 1.239 302 L CA -0.473 54.355 54.840 -0.019 0.000 1.035 302 L CB 1.135 43.185 42.059 -0.016 0.000 1.408 302 L HN 0.698 nan 8.230 nan 0.000 0.593 303 G N -0.021 108.752 108.800 -0.045 0.000 2.544 303 G HA2 0.351 4.311 3.960 0.000 0.000 0.242 303 G HA3 0.351 4.311 3.960 0.000 0.000 0.242 303 G C 0.792 175.660 174.900 -0.055 0.000 1.247 303 G CA 0.427 45.481 45.100 -0.076 0.000 0.840 303 G HN 0.438 nan 8.290 nan 0.000 0.578 304 A N 1.046 123.830 122.820 -0.060 0.000 2.648 304 A HA -0.150 4.170 4.320 0.000 0.000 0.297 304 A C 0.584 178.150 177.584 -0.031 0.000 1.467 304 A CA 0.887 52.898 52.037 -0.043 0.000 0.731 304 A CB -1.993 16.983 19.000 -0.039 0.000 1.085 304 A HN 0.780 nan 8.150 nan 0.000 0.437 305 N N -0.888 117.796 118.700 -0.027 0.000 3.379 305 N HA 0.537 5.277 4.740 0.000 0.000 0.350 305 N C 0.086 175.588 175.510 -0.012 0.000 1.553 305 N CA -0.526 52.513 53.050 -0.019 0.000 0.712 305 N CB 0.699 39.175 38.487 -0.018 0.000 1.880 305 N HN 0.475 nan 8.380 nan 0.000 0.648 306 Q N 0.769 120.564 119.800 -0.008 0.000 2.324 306 Q HA 0.471 4.811 4.340 0.000 0.000 0.373 306 Q C -0.770 175.229 176.000 -0.002 0.000 0.909 306 Q CA -0.066 55.735 55.803 -0.002 0.000 1.135 306 Q CB 0.438 29.174 28.738 -0.002 0.000 1.313 306 Q HN 0.393 nan 8.270 nan 0.000 0.417 307 I N 0.860 121.428 120.570 -0.003 0.000 2.342 307 I HA 0.091 4.261 4.170 0.000 0.000 0.291 307 I C 1.018 177.135 176.117 0.000 0.000 1.010 307 I CA 0.044 61.342 61.300 -0.003 0.000 1.308 307 I CB 1.522 39.517 38.000 -0.008 0.000 1.400 307 I HN 0.243 nan 8.210 nan 0.000 0.488 308 S N 2.809 118.510 115.700 0.001 0.000 2.604 308 S HA 0.183 4.653 4.470 0.000 0.000 0.235 308 S C 0.325 174.926 174.600 0.000 0.000 1.043 308 S CA -0.359 57.843 58.200 0.003 0.000 0.997 308 S CB 0.046 63.250 63.200 0.006 0.000 0.956 308 S HN 0.629 nan 8.310 nan 0.000 0.535 309 N N 1.739 120.438 118.700 -0.002 0.000 2.491 309 N HA 0.410 5.150 4.740 0.000 0.000 0.274 309 N C 0.017 175.524 175.510 -0.004 0.000 1.023 309 N CA -0.786 52.262 53.050 -0.003 0.000 0.902 309 N CB 1.363 39.849 38.487 -0.002 0.000 1.267 309 N HN 0.453 nan 8.380 nan 0.000 0.503 310 I N 0.179 120.746 120.570 -0.006 0.000 3.928 310 I HA 0.304 4.474 4.170 0.000 0.000 0.335 310 I C 0.940 177.053 176.117 -0.006 0.000 1.325 310 I CA -0.247 61.049 61.300 -0.007 0.000 1.107 310 I CB 0.264 38.259 38.000 -0.008 0.000 1.014 310 I HN 0.151 nan 8.210 nan 0.000 0.400 311 S N 2.579 118.276 115.700 -0.006 0.000 2.387 311 S HA -0.075 4.395 4.470 0.000 0.000 0.230 311 S C -0.360 174.238 174.600 -0.005 0.000 1.035 311 S CA 1.893 60.089 58.200 -0.005 0.000 1.014 311 S CB -1.142 62.056 63.200 -0.005 0.000 0.836 311 S HN 0.457 nan 8.310 nan 0.000 0.466 312 P HA -0.018 nan 4.420 nan 0.000 0.221 312 P C 0.845 178.143 177.300 -0.003 0.000 1.145 312 P CA 0.828 63.926 63.100 -0.004 0.000 0.795 312 P CB -0.119 31.579 31.700 -0.003 0.000 0.775 313 L N -1.997 119.224 121.223 -0.004 0.000 2.554 313 L HA 0.106 4.446 4.340 0.000 0.000 0.226 313 L C 2.236 179.104 176.870 -0.003 0.000 1.137 313 L CA 0.383 55.222 54.840 -0.003 0.000 0.863 313 L CB -0.873 41.184 42.059 -0.003 0.000 0.985 313 L HN -0.049 nan 8.230 nan 0.000 0.451 314 A N 0.971 123.789 122.820 -0.004 0.000 1.940 314 A HA -0.148 4.173 4.320 0.000 0.000 0.219 314 A C 2.222 179.804 177.584 -0.003 0.000 1.176 314 A CA 1.864 53.898 52.037 -0.004 0.000 0.631 314 A CB -0.850 18.147 19.000 -0.005 0.000 0.814 314 A HN 0.438 nan 8.150 nan 0.000 0.446 315 G N -1.129 107.670 108.800 -0.002 0.000 2.985 315 G HA2 0.341 4.302 3.960 0.000 0.000 0.209 315 G HA3 0.341 4.302 3.960 0.000 0.000 0.209 315 G C 0.557 175.457 174.900 -0.001 0.000 1.165 315 G CA -0.208 44.891 45.100 -0.002 0.000 0.776 315 G HN 0.396 nan 8.290 nan 0.000 0.541 316 L N 2.613 123.836 121.223 0.000 0.000 2.648 316 L HA 0.150 4.490 4.340 0.000 0.000 0.238 316 L C 1.989 178.861 176.870 0.003 0.000 1.316 316 L CA -0.125 54.716 54.840 0.002 0.000 1.241 316 L CB -0.091 41.970 42.059 0.002 0.000 1.499 316 L HN 0.199 nan 8.230 nan 0.000 0.411 317 T N -3.747 110.808 114.554 0.002 0.000 3.072 317 T HA -0.059 4.291 4.350 0.000 0.000 0.266 317 T C 1.687 176.390 174.700 0.005 0.000 1.127 317 T CA 0.769 62.871 62.100 0.003 0.000 1.107 317 T CB 0.202 69.071 68.868 0.002 0.000 0.910 317 T HN 0.455 nan 8.240 nan 0.000 0.513 318 A N 0.903 123.726 122.820 0.005 0.000 2.235 318 A HA 0.431 4.751 4.320 0.000 0.000 0.208 318 A C 1.017 178.607 177.584 0.009 0.000 1.172 318 A CA -0.194 51.847 52.037 0.006 0.000 0.786 318 A CB -0.622 18.380 19.000 0.003 0.000 0.804 318 A HN 0.591 nan 8.150 nan 0.000 0.479 319 L N 1.084 122.314 121.223 0.012 0.000 2.534 319 L HA 0.038 4.378 4.340 0.000 0.000 0.271 319 L C 1.835 178.722 176.870 0.028 0.000 1.178 319 L CA 0.334 55.186 54.840 0.019 0.000 0.907 319 L CB 0.782 42.853 42.059 0.021 0.000 1.164 319 L HN 0.526 nan 8.230 nan 0.000 0.482 320 T N -1.118 113.456 114.554 0.034 0.000 3.034 320 T HA 0.098 4.448 4.350 0.000 0.000 0.248 320 T C 0.755 175.508 174.700 0.088 0.000 1.040 320 T CA -0.045 62.083 62.100 0.047 0.000 1.107 320 T CB 0.203 69.090 68.868 0.032 0.000 0.932 320 T HN 0.513 nan 8.240 nan 0.000 0.474 321 N N 0.972 119.727 118.700 0.092 0.000 2.346 321 N HA 0.585 5.325 4.740 0.000 0.000 0.289 321 N C -2.199 173.394 175.510 0.139 0.000 1.027 321 N CA -0.543 52.609 53.050 0.169 0.000 0.864 321 N CB 2.420 40.962 38.487 0.091 0.000 1.370 321 N HN 0.123 nan 8.380 nan 0.000 0.481 322 L N 2.034 123.356 121.223 0.165 0.000 2.438 322 L HA 0.409 4.750 4.340 0.000 0.000 0.270 322 L C -1.070 175.855 176.870 0.092 0.000 0.972 322 L CA -0.365 54.531 54.840 0.093 0.000 0.831 322 L CB 1.725 43.813 42.059 0.048 0.000 1.273 322 L HN 0.449 nan 8.230 nan 0.000 0.405 323 E N 5.992 126.232 120.200 0.067 0.000 2.155 323 E HA 0.410 4.760 4.350 0.000 0.000 0.264 323 E C -0.314 176.268 176.600 -0.029 0.000 0.886 323 E CA -0.241 56.176 56.400 0.028 0.000 0.752 323 E CB 1.862 31.597 29.700 0.058 0.000 1.133 323 E HN 0.653 nan 8.360 nan 0.000 0.414 324 L N 2.856 124.038 121.223 -0.069 0.000 3.184 324 L HA 0.127 4.467 4.340 0.000 0.000 0.283 324 L C 0.126 176.915 176.870 -0.135 0.000 1.218 324 L CA -0.318 54.476 54.840 -0.076 0.000 1.028 324 L CB 0.027 42.062 42.059 -0.040 0.000 1.400 324 L HN 0.468 nan 8.230 nan 0.000 0.591 325 N N 0.081 118.611 118.700 -0.284 0.000 2.374 325 N HA -0.036 4.704 4.740 0.000 0.000 0.241 325 N C -0.272 175.087 175.510 -0.251 0.000 1.262 325 N CA -0.279 52.470 53.050 -0.501 0.000 0.880 325 N CB 0.082 37.717 38.487 -1.420 0.000 1.105 325 N HN 0.096 nan 8.380 nan 0.000 0.438 326 E N -1.628 118.506 120.200 -0.109 0.000 2.271 326 E HA -0.272 4.078 4.350 0.000 0.000 0.223 326 E C -0.880 175.716 176.600 -0.007 0.000 1.223 326 E CA 0.287 56.688 56.400 0.001 0.000 0.704 326 E CB -1.278 28.395 29.700 -0.045 0.000 1.194 326 E HN 0.607 nan 8.360 nan 0.000 0.375 327 N N -0.091 118.617 118.700 0.012 0.000 3.294 327 N HA 0.274 5.014 4.740 0.000 0.000 0.355 327 N C -0.204 175.325 175.510 0.032 0.000 1.497 327 N CA -0.564 52.492 53.050 0.008 0.000 0.707 327 N CB 0.833 39.313 38.487 -0.011 0.000 1.732 327 N HN -0.003 nan 8.380 nan 0.000 0.640 328 Q N 1.182 120.995 119.800 0.022 0.000 2.263 328 Q HA 0.409 4.749 4.340 0.000 0.000 0.337 328 Q C -0.619 175.394 176.000 0.022 0.000 0.906 328 Q CA -0.146 55.673 55.803 0.027 0.000 1.124 328 Q CB 0.217 28.968 28.738 0.021 0.000 1.255 328 Q HN 0.395 nan 8.270 nan 0.000 0.435 329 L N 0.244 121.480 121.223 0.021 0.000 2.331 329 L HA 0.213 4.553 4.340 0.000 0.000 0.278 329 L C 1.260 178.140 176.870 0.017 0.000 1.106 329 L CA 0.162 55.010 54.840 0.014 0.000 0.824 329 L CB 0.897 42.960 42.059 0.008 0.000 1.142 329 L HN 0.195 nan 8.230 nan 0.000 0.443 330 E N 0.615 120.821 120.200 0.010 0.000 2.756 330 E HA 0.004 4.354 4.350 0.000 0.000 0.192 330 E C -0.373 176.225 176.600 -0.002 0.000 1.022 330 E CA -0.211 56.194 56.400 0.008 0.000 1.224 330 E CB 0.473 30.180 29.700 0.010 0.000 1.252 330 E HN 0.540 nan 8.360 nan 0.000 0.494 331 D N 1.824 122.221 120.400 -0.004 0.000 2.422 331 D HA 0.069 4.709 4.640 0.000 0.000 0.227 331 D C 0.424 176.716 176.300 -0.014 0.000 1.190 331 D CA -0.147 53.846 54.000 -0.010 0.000 0.905 331 D CB 0.334 41.129 40.800 -0.008 0.000 1.034 331 D HN 0.206 nan 8.370 nan 0.000 0.507 332 I N 0.809 121.366 120.570 -0.022 0.000 3.891 332 I HA 0.115 4.285 4.170 0.000 0.000 0.331 332 I C 1.536 177.636 176.117 -0.030 0.000 1.406 332 I CA -0.357 60.927 61.300 -0.026 0.000 1.139 332 I CB -0.016 37.963 38.000 -0.035 0.000 1.056 332 I HN 0.154 nan 8.210 nan 0.000 0.399 333 S N 1.852 117.536 115.700 -0.026 0.000 2.392 333 S HA -0.064 4.406 4.470 0.000 0.000 0.232 333 S C -0.373 174.214 174.600 -0.021 0.000 1.041 333 S CA 1.190 59.374 58.200 -0.025 0.000 1.026 333 S CB -2.075 61.112 63.200 -0.021 0.000 0.845 333 S HN 0.406 nan 8.310 nan 0.000 0.465 334 P HA 0.116 nan 4.420 nan 0.000 0.225 334 P C 1.355 178.646 177.300 -0.014 0.000 1.148 334 P CA 0.530 63.622 63.100 -0.014 0.000 0.779 334 P CB -0.159 31.535 31.700 -0.011 0.000 0.780 335 I N -0.080 120.479 120.570 -0.018 0.000 2.567 335 I HA -0.241 3.929 4.170 0.000 0.000 0.257 335 I C 1.943 178.048 176.117 -0.019 0.000 1.184 335 I CA 1.260 62.549 61.300 -0.018 0.000 1.451 335 I CB -0.202 37.783 38.000 -0.025 0.000 1.089 335 I HN 0.043 nan 8.210 nan 0.000 0.441 336 S N -0.001 115.686 115.700 -0.022 0.000 2.442 336 S HA -0.200 4.270 4.470 0.000 0.000 0.236 336 S C 1.494 176.086 174.600 -0.014 0.000 1.007 336 S CA 1.613 59.801 58.200 -0.021 0.000 0.965 336 S CB -0.892 62.295 63.200 -0.022 0.000 0.773 336 S HN 0.543 nan 8.310 nan 0.000 0.504 337 N N 1.216 119.910 118.700 -0.011 0.000 2.453 337 N HA 0.152 4.892 4.740 0.000 0.000 0.183 337 N C 0.093 175.600 175.510 -0.004 0.000 1.041 337 N CA 0.639 53.685 53.050 -0.007 0.000 0.900 337 N CB -0.335 38.148 38.487 -0.006 0.000 0.961 337 N HN 0.444 nan 8.380 nan 0.000 0.443 338 L N 1.107 122.328 121.223 -0.004 0.000 2.536 338 L HA 0.220 4.560 4.340 0.000 0.000 0.242 338 L C 0.842 177.714 176.870 0.003 0.000 1.280 338 L CA -0.238 54.603 54.840 0.002 0.000 1.221 338 L CB 0.220 42.281 42.059 0.004 0.000 1.449 338 L HN 0.005 nan 8.230 nan 0.000 0.405 339 K N 0.479 120.881 120.400 0.002 0.000 2.442 339 K HA -0.012 4.308 4.320 0.000 0.000 0.198 339 K C 0.928 177.533 176.600 0.008 0.000 1.042 339 K CA 0.599 56.887 56.287 0.003 0.000 0.958 339 K CB 0.141 32.642 32.500 0.001 0.000 0.766 339 K HN 0.486 nan 8.250 nan 0.000 0.474 340 N N 0.730 119.436 118.700 0.011 0.000 2.336 340 N HA 0.040 4.780 4.740 0.000 0.000 0.189 340 N C 0.267 175.793 175.510 0.025 0.000 1.113 340 N CA 0.065 53.124 53.050 0.016 0.000 0.858 340 N CB 0.342 38.837 38.487 0.014 0.000 0.970 340 N HN 0.140 nan 8.380 nan 0.000 0.471 341 L N 1.390 122.630 121.223 0.028 0.000 2.477 341 L HA 0.033 4.373 4.340 0.000 0.000 0.272 341 L C 1.619 178.519 176.870 0.051 0.000 1.157 341 L CA 0.192 55.058 54.840 0.043 0.000 0.889 341 L CB 0.639 42.719 42.059 0.035 0.000 1.158 341 L HN 0.134 nan 8.230 nan 0.000 0.473 342 T N -0.444 114.156 114.554 0.078 0.000 2.990 342 T HA 0.067 4.417 4.350 0.000 0.000 0.250 342 T C -0.116 174.679 174.700 0.157 0.000 1.041 342 T CA 0.012 62.167 62.100 0.091 0.000 1.010 342 T CB 0.106 69.020 68.868 0.077 0.000 1.003 342 T HN 0.349 nan 8.240 nan 0.000 0.499 343 Y N 0.754 121.074 120.300 0.033 0.000 2.386 343 Y HA 0.664 5.214 4.550 0.000 0.000 0.334 343 Y C -1.919 174.038 175.900 0.096 0.000 1.002 343 Y CA -2.031 56.110 58.100 0.068 0.000 1.068 343 Y CB 1.810 40.292 38.460 0.036 0.000 1.203 343 Y HN 0.186 nan 8.280 nan 0.000 0.443 344 L N 6.155 127.170 121.223 -0.347 0.000 2.493 344 L HA 0.673 5.013 4.340 0.000 0.000 0.265 344 L C -1.208 175.584 176.870 -0.129 0.000 0.954 344 L CA -0.171 54.571 54.840 -0.164 0.000 0.844 344 L CB 2.256 44.293 42.059 -0.037 0.000 1.302 344 L HN 0.723 nan 8.230 nan 0.000 0.405 345 T N 2.431 116.946 114.554 -0.064 0.000 2.829 345 T HA 0.688 5.038 4.350 0.000 0.000 0.280 345 T C 0.141 174.839 174.700 -0.002 0.000 0.999 345 T CA -0.525 61.612 62.100 0.062 0.000 0.983 345 T CB 1.266 70.142 68.868 0.013 0.000 0.968 345 T HN 0.603 nan 8.240 nan 0.000 0.446 346 L N 1.332 122.604 121.223 0.080 0.000 3.520 346 L HA 0.284 4.625 4.340 0.000 0.000 0.323 346 L C -0.280 176.656 176.870 0.111 0.000 1.246 346 L CA -1.023 53.850 54.840 0.056 0.000 1.085 346 L CB 0.103 42.230 42.059 0.114 0.000 1.477 346 L HN 0.801 nan 8.230 nan 0.000 0.624 347 Y N -1.574 118.857 120.300 0.217 0.000 2.597 347 Y HA 0.344 4.894 4.550 0.000 0.000 0.336 347 Y C 0.190 176.252 175.900 0.269 0.000 1.216 347 Y CA -1.055 57.171 58.100 0.211 0.000 1.463 347 Y CB -0.238 38.366 38.460 0.240 0.000 1.303 347 Y HN 0.071 nan 8.280 nan 0.000 0.576 348 F N 1.480 121.570 119.950 0.234 0.000 2.890 348 F HA -0.272 4.256 4.527 0.000 0.000 0.333 348 F C -0.301 175.532 175.800 0.056 0.000 1.012 348 F CA 0.587 58.667 58.000 0.134 0.000 1.090 348 F CB -1.375 37.719 39.000 0.156 0.000 1.281 348 F HN 0.797 nan 8.300 nan 0.000 0.786 349 N N -0.151 118.635 118.700 0.143 0.000 3.379 349 N HA 0.381 5.121 4.740 0.000 0.000 0.350 349 N C -0.227 175.328 175.510 0.076 0.000 1.553 349 N CA -0.681 52.429 53.050 0.099 0.000 0.712 349 N CB 0.918 39.447 38.487 0.069 0.000 1.880 349 N HN 0.123 nan 8.380 nan 0.000 0.648 350 N N 0.479 119.215 118.700 0.059 0.000 2.541 350 N HA 0.375 5.115 4.740 0.000 0.000 0.297 350 N C -1.329 174.206 175.510 0.041 0.000 1.503 350 N CA -0.111 52.969 53.050 0.050 0.000 0.919 350 N CB -0.256 38.258 38.487 0.044 0.000 1.305 350 N HN 0.399 nan 8.380 nan 0.000 0.501 351 I N 0.912 121.510 120.570 0.046 0.000 2.352 351 I HA 0.089 4.259 4.170 0.000 0.000 0.290 351 I C 1.281 177.417 176.117 0.031 0.000 1.036 351 I CA -0.181 61.136 61.300 0.028 0.000 1.336 351 I CB 1.297 39.308 38.000 0.019 0.000 1.407 351 I HN 0.253 nan 8.210 nan 0.000 0.497 352 S N 2.317 118.025 115.700 0.014 0.000 2.497 352 S HA 0.075 4.545 4.470 0.000 0.000 0.218 352 S C 0.408 174.999 174.600 -0.015 0.000 1.023 352 S CA -0.191 58.017 58.200 0.013 0.000 0.913 352 S CB 0.138 63.347 63.200 0.016 0.000 0.800 352 S HN 0.644 nan 8.310 nan 0.000 0.505 353 D N 0.731 121.109 120.400 -0.037 0.000 2.461 353 D HA 0.390 5.030 4.640 0.000 0.000 0.240 353 D C 0.106 176.343 176.300 -0.105 0.000 1.094 353 D CA -0.622 53.341 54.000 -0.061 0.000 0.868 353 D CB 0.986 41.760 40.800 -0.045 0.000 1.062 353 D HN 0.084 nan 8.370 nan 0.000 0.530 354 I N 2.807 123.278 120.570 -0.165 0.000 3.251 354 I HA -0.095 4.075 4.170 0.000 0.000 0.277 354 I C 2.053 178.046 176.117 -0.207 0.000 1.268 354 I CA 0.736 61.872 61.300 -0.275 0.000 1.449 354 I CB -0.202 37.473 38.000 -0.541 0.000 1.083 354 I HN 0.447 nan 8.210 nan 0.000 0.464 355 S N 1.096 116.715 115.700 -0.135 0.000 2.420 355 S HA -0.077 4.393 4.470 0.000 0.000 0.237 355 S C -0.289 174.260 174.600 -0.085 0.000 1.023 355 S CA 1.036 59.177 58.200 -0.099 0.000 0.991 355 S CB -1.944 61.214 63.200 -0.070 0.000 0.792 355 S HN 0.305 nan 8.310 nan 0.000 0.488 356 P HA -0.023 nan 4.420 nan 0.000 0.221 356 P C 1.794 179.055 177.300 -0.066 0.000 1.145 356 P CA 1.178 64.239 63.100 -0.064 0.000 0.795 356 P CB -0.338 31.328 31.700 -0.057 0.000 0.775 357 V N -2.518 117.340 119.914 -0.093 0.000 3.041 357 V HA -0.106 4.014 4.120 0.000 0.000 0.260 357 V C 2.144 178.199 176.094 -0.066 0.000 1.105 357 V CA 1.722 63.973 62.300 -0.083 0.000 1.125 357 V CB -1.579 30.175 31.823 -0.115 0.000 0.730 357 V HN 0.165 nan 8.190 nan 0.000 0.479 358 S N 2.281 117.939 115.700 -0.069 0.000 2.419 358 S HA -0.188 4.283 4.470 0.000 0.000 0.233 358 S C 1.984 176.564 174.600 -0.034 0.000 1.016 358 S CA 1.691 59.859 58.200 -0.052 0.000 0.974 358 S CB -0.969 62.198 63.200 -0.055 0.000 0.786 358 S HN 1.092 nan 8.310 nan 0.000 0.492 359 S N 0.997 116.679 115.700 -0.031 0.000 2.593 359 S HA 0.284 4.754 4.470 0.000 0.000 0.217 359 S C 0.642 175.233 174.600 -0.015 0.000 0.966 359 S CA -0.469 57.719 58.200 -0.021 0.000 0.914 359 S CB -0.706 62.482 63.200 -0.020 0.000 0.776 359 S HN 0.548 nan 8.310 nan 0.000 0.523 360 L N 3.407 124.620 121.223 -0.017 0.000 2.399 360 L HA 0.257 4.598 4.340 0.000 0.000 0.257 360 L C 1.614 178.482 176.870 -0.004 0.000 1.236 360 L CA -0.186 54.649 54.840 -0.009 0.000 1.144 360 L CB -0.362 41.691 42.059 -0.010 0.000 1.379 360 L HN 0.396 nan 8.230 nan 0.000 0.414 361 T N -3.268 111.285 114.554 -0.001 0.000 3.072 361 T HA -0.073 4.277 4.350 0.000 0.000 0.266 361 T C 1.393 176.098 174.700 0.009 0.000 1.127 361 T CA 0.515 62.616 62.100 0.002 0.000 1.107 361 T CB -0.058 68.810 68.868 0.000 0.000 0.910 361 T HN 0.421 nan 8.240 nan 0.000 0.513 362 K N 0.645 121.052 120.400 0.013 0.000 2.487 362 K HA 0.266 4.586 4.320 0.000 0.000 0.192 362 K C 0.311 176.928 176.600 0.029 0.000 1.027 362 K CA -0.121 56.178 56.287 0.020 0.000 1.054 362 K CB -0.163 32.350 32.500 0.021 0.000 0.824 362 K HN 0.409 nan 8.250 nan 0.000 0.510 363 L N 2.019 123.257 121.223 0.025 0.000 2.584 363 L HA -0.104 4.237 4.340 0.000 0.000 0.272 363 L C 1.320 178.214 176.870 0.040 0.000 1.195 363 L CA 0.434 55.292 54.840 0.030 0.000 0.920 363 L CB 0.400 42.468 42.059 0.015 0.000 1.173 363 L HN 0.223 nan 8.230 nan 0.000 0.489 364 Q N 2.962 122.796 119.800 0.056 0.000 2.423 364 Q HA 0.217 4.557 4.340 0.000 0.000 0.231 364 Q C -0.153 175.894 176.000 0.077 0.000 0.894 364 Q CA 0.399 56.245 55.803 0.072 0.000 0.938 364 Q CB 0.742 29.525 28.738 0.075 0.000 1.079 364 Q HN 0.536 nan 8.270 nan 0.000 0.552 365 R N 0.720 121.250 120.500 0.050 0.000 2.502 365 R HA 0.495 4.836 4.340 0.000 0.000 0.300 365 R C -1.759 174.454 176.300 -0.146 0.000 0.984 365 R CA -0.646 55.435 56.100 -0.032 0.000 0.882 365 R CB 1.993 32.345 30.300 0.086 0.000 1.180 365 R HN -0.068 nan 8.270 nan 0.000 0.444 366 L N 3.528 124.583 121.223 -0.281 0.000 2.409 366 L HA 0.591 4.931 4.340 0.000 0.000 0.272 366 L C -1.801 174.899 176.870 -0.283 0.000 0.980 366 L CA -0.440 54.321 54.840 -0.132 0.000 0.826 366 L CB 1.443 43.520 42.059 0.030 0.000 1.268 366 L HN 0.489 nan 8.230 nan 0.000 0.407 367 F N 6.568 126.614 119.950 0.159 0.000 2.496 367 F HA 0.465 4.992 4.527 0.000 0.000 0.341 367 F C -0.166 175.845 175.800 0.351 0.000 1.134 367 F CA -0.424 57.702 58.000 0.210 0.000 0.968 367 F CB 1.282 40.435 39.000 0.254 0.000 1.205 367 F HN 0.456 nan 8.300 nan 0.000 0.436 368 F N 0.683 120.791 119.950 0.263 0.000 2.777 368 F HA 0.772 5.299 4.527 0.000 0.000 0.361 368 F C 0.113 176.008 175.800 0.159 0.000 1.254 368 F CA -1.183 56.935 58.000 0.196 0.000 1.181 368 F CB -0.722 38.335 39.000 0.096 0.000 1.082 368 F HN 0.341 nan 8.300 nan 0.000 0.510 369 A N 1.108 123.942 122.820 0.022 0.000 2.466 369 A HA 0.338 4.658 4.320 0.000 0.000 0.238 369 A C 0.680 178.220 177.584 -0.075 0.000 1.074 369 A CA 0.401 52.408 52.037 -0.050 0.000 0.774 369 A CB -0.456 18.543 19.000 -0.003 0.000 1.015 369 A HN 0.722 nan 8.150 nan 0.000 0.498 370 N N 0.393 118.991 118.700 -0.171 0.000 2.771 370 N HA -0.131 4.609 4.740 0.000 0.000 0.249 370 N C -0.604 174.809 175.510 -0.163 0.000 1.069 370 N CA 1.218 54.032 53.050 -0.393 0.000 0.688 370 N CB -1.092 36.550 38.487 -1.408 0.000 0.928 370 N HN 0.744 nan 8.380 nan 0.000 0.551 371 N N -0.059 118.649 118.700 0.012 0.000 3.167 371 N HA 0.381 5.121 4.740 0.000 0.000 0.323 371 N C -0.247 175.323 175.510 0.099 0.000 1.478 371 N CA -0.629 52.474 53.050 0.089 0.000 0.753 371 N CB 0.910 39.513 38.487 0.193 0.000 1.721 371 N HN 0.067 nan 8.380 nan 0.000 0.618 372 K N 0.801 121.263 120.400 0.103 0.000 2.861 372 K HA 0.316 4.636 4.320 0.000 0.000 0.210 372 K C -0.620 176.036 176.600 0.093 0.000 1.112 372 K CA -0.135 56.209 56.287 0.095 0.000 1.076 372 K CB 0.705 33.247 32.500 0.071 0.000 0.853 372 K HN 0.151 nan 8.250 nan 0.000 0.463 373 V N 1.278 121.274 119.914 0.136 0.000 2.488 373 V HA 0.013 4.133 4.120 0.000 0.000 0.277 373 V C 1.204 177.355 176.094 0.094 0.000 1.046 373 V CA 0.209 62.582 62.300 0.122 0.000 0.986 373 V CB 1.313 33.269 31.823 0.221 0.000 0.989 373 V HN 0.346 nan 8.190 nan 0.000 0.475 374 S N 2.599 118.311 115.700 0.020 0.000 2.620 374 S HA 0.046 4.516 4.470 0.000 0.000 0.234 374 S C 0.767 175.334 174.600 -0.055 0.000 1.064 374 S CA 0.126 58.293 58.200 -0.055 0.000 0.920 374 S CB 0.127 63.263 63.200 -0.106 0.000 0.826 374 S HN 0.862 nan 8.310 nan 0.000 0.557 375 D N 2.118 122.491 120.400 -0.045 0.000 2.365 375 D HA 0.201 4.841 4.640 0.000 0.000 0.237 375 D C 0.733 177.014 176.300 -0.032 0.000 1.190 375 D CA -0.071 53.901 54.000 -0.047 0.000 0.867 375 D CB 1.415 42.185 40.800 -0.049 0.000 1.050 375 D HN 0.220 nan 8.370 nan 0.000 0.491 376 V N 1.644 121.547 119.914 -0.019 0.000 3.542 376 V HA 0.072 4.192 4.120 0.000 0.000 0.296 376 V C 1.738 177.817 176.094 -0.024 0.000 1.364 376 V CA 0.559 62.858 62.300 -0.002 0.000 1.118 376 V CB -0.454 31.405 31.823 0.061 0.000 0.972 376 V HN 0.452 nan 8.190 nan 0.000 0.430 377 S N 2.212 117.890 115.700 -0.036 0.000 2.400 377 S HA -0.249 4.221 4.470 0.000 0.000 0.232 377 S C 2.097 176.676 174.600 -0.035 0.000 1.025 377 S CA 1.884 60.062 58.200 -0.036 0.000 0.993 377 S CB -1.022 62.157 63.200 -0.036 0.000 0.808 377 S HN 1.055 nan 8.310 nan 0.000 0.478 378 S N 2.584 118.259 115.700 -0.043 0.000 2.419 378 S HA 0.063 4.533 4.470 0.000 0.000 0.233 378 S C 1.819 176.394 174.600 -0.043 0.000 1.016 378 S CA 0.947 59.120 58.200 -0.045 0.000 0.974 378 S CB -1.002 62.163 63.200 -0.058 0.000 0.786 378 S HN 0.584 nan 8.310 nan 0.000 0.492 379 L N 1.148 122.347 121.223 -0.041 0.000 2.353 379 L HA -0.004 4.336 4.340 0.000 0.000 0.220 379 L C 3.038 179.898 176.870 -0.015 0.000 1.133 379 L CA 0.784 55.609 54.840 -0.025 0.000 0.798 379 L CB -0.958 41.102 42.059 0.002 0.000 0.922 379 L HN 0.468 nan 8.230 nan 0.000 0.445 380 A N 0.580 123.388 122.820 -0.020 0.000 2.024 380 A HA -0.264 4.056 4.320 0.000 0.000 0.220 380 A C 2.038 179.613 177.584 -0.014 0.000 1.164 380 A CA 2.087 54.114 52.037 -0.017 0.000 0.643 380 A CB -0.654 18.333 19.000 -0.020 0.000 0.806 380 A HN 0.459 nan 8.150 nan 0.000 0.451 381 N N -0.270 118.420 118.700 -0.016 0.000 2.459 381 N HA -0.006 4.735 4.740 0.000 0.000 0.181 381 N C 0.386 175.890 175.510 -0.009 0.000 1.046 381 N CA 0.451 53.492 53.050 -0.014 0.000 0.904 381 N CB -0.382 38.095 38.487 -0.018 0.000 0.964 381 N HN 0.468 nan 8.380 nan 0.000 0.444 382 L N 1.382 122.600 121.223 -0.007 0.000 2.391 382 L HA 0.123 4.463 4.340 0.000 0.000 0.249 382 L C 1.569 178.443 176.870 0.006 0.000 1.308 382 L CA -0.175 54.665 54.840 0.000 0.000 1.209 382 L CB -0.396 41.664 42.059 0.002 0.000 1.401 382 L HN 0.222 nan 8.230 nan 0.000 0.416 383 T N -2.814 111.743 114.554 0.005 0.000 2.881 383 T HA -0.182 4.168 4.350 0.000 0.000 0.270 383 T C 1.380 176.088 174.700 0.014 0.000 1.068 383 T CA 1.286 63.390 62.100 0.007 0.000 1.131 383 T CB -0.094 68.777 68.868 0.004 0.000 0.871 383 T HN 0.352 nan 8.240 nan 0.000 0.479 384 N N 0.221 118.933 118.700 0.020 0.000 2.276 384 N HA 0.281 5.021 4.740 0.000 0.000 0.212 384 N C -0.375 175.161 175.510 0.043 0.000 1.127 384 N CA -0.499 52.569 53.050 0.030 0.000 0.834 384 N CB -0.439 38.066 38.487 0.030 0.000 1.014 384 N HN 0.465 nan 8.380 nan 0.000 0.491 385 I N 0.399 120.992 120.570 0.038 0.000 2.618 385 I HA 0.028 4.199 4.170 0.000 0.000 0.284 385 I C 1.170 177.332 176.117 0.075 0.000 1.146 385 I CA 0.364 61.694 61.300 0.050 0.000 1.425 385 I CB 0.592 38.611 38.000 0.032 0.000 1.383 385 I HN 0.130 nan 8.210 nan 0.000 0.562 386 N N 4.978 123.759 118.700 0.136 0.000 2.564 386 N HA 0.064 4.804 4.740 0.000 0.000 0.202 386 N C -0.852 174.834 175.510 0.294 0.000 1.052 386 N CA 0.325 53.507 53.050 0.220 0.000 0.872 386 N CB 0.312 38.983 38.487 0.307 0.000 1.303 386 N HN 0.464 nan 8.380 nan 0.000 0.440 387 W N 1.589 122.841 121.300 -0.079 0.000 2.471 387 W HA 0.547 5.207 4.660 0.000 0.000 0.318 387 W C -0.832 175.503 176.519 -0.306 0.000 1.034 387 W CA -0.626 56.613 57.345 -0.177 0.000 1.224 387 W CB 0.763 30.114 29.460 -0.182 0.000 1.335 387 W HN -0.138 nan 8.180 nan 0.000 0.452 388 L N 3.687 124.850 121.223 -0.100 0.000 2.406 388 L HA 0.609 4.950 4.340 0.000 0.000 0.270 388 L C -0.594 176.153 176.870 -0.205 0.000 0.982 388 L CA -0.266 54.488 54.840 -0.144 0.000 0.843 388 L CB 1.691 43.716 42.059 -0.058 0.000 1.225 388 L HN 0.230 nan 8.230 nan 0.000 0.412 389 S N 3.907 119.431 115.700 -0.292 0.000 2.669 389 S HA 0.831 5.301 4.470 0.000 0.000 0.315 389 S C 0.062 174.419 174.600 -0.406 0.000 1.106 389 S CA 0.230 58.299 58.200 -0.218 0.000 1.107 389 S CB 1.068 64.250 63.200 -0.031 0.000 0.990 389 S HN 0.886 nan 8.310 nan 0.000 0.471 390 A N 3.803 126.349 122.820 -0.457 0.000 2.585 390 A HA 0.625 4.946 4.320 0.000 0.000 0.281 390 A C 0.700 178.093 177.584 -0.317 0.000 0.945 390 A CA -0.166 51.426 52.037 -0.743 0.000 1.031 390 A CB -0.251 18.223 19.000 -0.877 0.000 1.221 390 A HN 0.906 nan 8.150 nan 0.000 0.496 391 G N -1.378 107.324 108.800 -0.162 0.000 2.606 391 G HA2 0.419 4.379 3.960 0.000 0.000 0.252 391 G HA3 0.419 4.379 3.960 0.000 0.000 0.252 391 G C 0.238 175.130 174.900 -0.013 0.000 1.206 391 G CA 0.036 45.090 45.100 -0.077 0.000 0.861 391 G HN 0.760 nan 8.290 nan 0.000 0.561 392 H N -0.998 118.045 119.070 -0.044 0.000 2.826 392 H HA -0.140 4.416 4.556 0.000 0.000 0.306 392 H C 0.785 176.095 175.328 -0.030 0.000 1.235 392 H CA 1.020 57.033 56.048 -0.058 0.000 1.150 392 H CB -1.371 28.309 29.762 -0.136 0.000 1.409 392 H HN 0.467 nan 8.280 nan 0.000 0.420 393 N N -0.052 118.707 118.700 0.098 0.000 3.124 393 N HA 0.289 5.029 4.740 0.000 0.000 0.350 393 N C 0.328 175.954 175.510 0.194 0.000 1.411 393 N CA -0.560 52.572 53.050 0.137 0.000 0.729 393 N CB 0.835 39.407 38.487 0.141 0.000 1.379 393 N HN 0.322 nan 8.380 nan 0.000 0.599 394 Q N 0.710 120.628 119.800 0.196 0.000 2.158 394 Q HA 0.426 4.766 4.340 0.000 0.000 0.306 394 Q C -0.660 175.344 176.000 0.007 0.000 0.878 394 Q CA -0.094 55.846 55.803 0.228 0.000 1.136 394 Q CB 0.547 29.380 28.738 0.158 0.000 1.253 394 Q HN 0.413 nan 8.270 nan 0.000 0.441 395 I N 1.527 122.174 120.570 0.129 0.000 2.396 395 I HA 0.002 4.172 4.170 0.000 0.000 0.289 395 I C 1.160 177.351 176.117 0.124 0.000 1.056 395 I CA 0.199 61.541 61.300 0.070 0.000 1.365 395 I CB 1.189 39.280 38.000 0.153 0.000 1.407 395 I HN 0.187 nan 8.210 nan 0.000 0.509 396 S N 2.189 117.766 115.700 -0.205 0.000 2.578 396 S HA 0.177 4.647 4.470 0.000 0.000 0.228 396 S C 0.065 174.729 174.600 0.106 0.000 1.022 396 S CA -0.347 57.750 58.200 -0.172 0.000 0.967 396 S CB 0.264 63.004 63.200 -0.767 0.000 0.914 396 S HN 0.669 nan 8.310 nan 0.000 0.515 397 D N 0.620 121.030 120.400 0.017 0.000 2.763 397 D HA 0.340 4.980 4.640 0.000 0.000 0.235 397 D C 0.224 176.445 176.300 -0.131 0.000 1.334 397 D CA -0.455 53.526 54.000 -0.032 0.000 0.950 397 D CB 1.241 42.008 40.800 -0.054 0.000 1.433 397 D HN 0.129 nan 8.370 nan 0.000 0.580 398 L N 2.496 123.597 121.223 -0.204 0.000 2.592 398 L HA 0.050 4.390 4.340 0.000 0.000 0.227 398 L C 2.306 179.093 176.870 -0.137 0.000 1.127 398 L CA 0.632 55.318 54.840 -0.257 0.000 0.884 398 L CB -0.287 41.538 42.059 -0.390 0.000 1.065 398 L HN 0.496 nan 8.230 nan 0.000 0.457 399 T N -1.740 112.762 114.554 -0.086 0.000 2.737 399 T HA -0.115 4.235 4.350 0.000 0.000 0.269 399 T C -0.393 174.276 174.700 -0.052 0.000 1.040 399 T CA 0.920 62.987 62.100 -0.056 0.000 1.142 399 T CB -1.630 67.217 68.868 -0.035 0.000 0.861 399 T HN 0.184 nan 8.240 nan 0.000 0.456 400 P HA 0.151 nan 4.420 nan 0.000 0.225 400 P C 1.126 178.400 177.300 -0.042 0.000 1.148 400 P CA 0.646 63.720 63.100 -0.044 0.000 0.779 400 P CB -0.279 31.395 31.700 -0.043 0.000 0.780 401 L N -1.969 119.220 121.223 -0.056 0.000 2.592 401 L HA 0.242 4.582 4.340 0.000 0.000 0.227 401 L C 2.121 178.962 176.870 -0.048 0.000 1.127 401 L CA 0.126 54.935 54.840 -0.052 0.000 0.884 401 L CB -0.692 41.323 42.059 -0.074 0.000 1.065 401 L HN -0.082 nan 8.230 nan 0.000 0.457 402 A N 0.745 123.538 122.820 -0.045 0.000 1.972 402 A HA -0.153 4.167 4.320 0.000 0.000 0.219 402 A C 1.788 179.356 177.584 -0.027 0.000 1.169 402 A CA 1.450 53.465 52.037 -0.037 0.000 0.635 402 A CB -0.298 18.683 19.000 -0.032 0.000 0.810 402 A HN 0.450 nan 8.150 nan 0.000 0.446 403 N N -0.202 118.484 118.700 -0.023 0.000 2.322 403 N HA 0.130 4.870 4.740 0.000 0.000 0.194 403 N C -0.153 175.349 175.510 -0.013 0.000 1.126 403 N CA 0.182 53.222 53.050 -0.016 0.000 0.845 403 N CB 0.192 38.671 38.487 -0.013 0.000 0.976 403 N HN 0.425 nan 8.380 nan 0.000 0.475 404 L N 1.743 122.956 121.223 -0.017 0.000 2.480 404 L HA 0.137 4.477 4.340 0.000 0.000 0.243 404 L C 1.439 178.301 176.870 -0.012 0.000 1.315 404 L CA -0.126 54.707 54.840 -0.012 0.000 1.231 404 L CB -0.369 41.682 42.059 -0.014 0.000 1.444 404 L HN 0.049 nan 8.230 nan 0.000 0.409 405 T N -3.754 110.795 114.554 -0.008 0.000 3.148 405 T HA -0.003 4.348 4.350 0.000 0.000 0.253 405 T C 1.578 176.277 174.700 -0.002 0.000 1.134 405 T CA 0.152 62.247 62.100 -0.008 0.000 1.051 405 T CB -0.077 68.787 68.868 -0.007 0.000 0.959 405 T HN 0.420 nan 8.240 nan 0.000 0.525 406 R N 0.360 120.864 120.500 0.006 0.000 2.297 406 R HA 0.353 4.693 4.340 0.000 0.000 0.197 406 R C 0.356 176.670 176.300 0.023 0.000 0.943 406 R CA -0.073 56.038 56.100 0.019 0.000 1.038 406 R CB -0.253 30.065 30.300 0.030 0.000 0.957 406 R HN 0.434 nan 8.270 nan 0.000 0.484 407 I N 1.876 122.448 120.570 0.004 0.000 2.683 407 I HA -0.123 4.047 4.170 0.000 0.000 0.286 407 I C 1.561 177.653 176.117 -0.042 0.000 1.175 407 I CA 0.754 62.046 61.300 -0.013 0.000 1.429 407 I CB 1.137 39.115 38.000 -0.037 0.000 1.371 407 I HN 0.197 nan 8.210 nan 0.000 0.569 408 T N 1.686 116.193 114.554 -0.078 0.000 2.959 408 T HA 0.210 4.560 4.350 0.000 0.000 0.254 408 T C 0.472 174.991 174.700 -0.302 0.000 1.003 408 T CA -0.193 61.822 62.100 -0.140 0.000 0.950 408 T CB 0.554 69.375 68.868 -0.079 0.000 1.090 408 T HN 0.473 nan 8.240 nan 0.000 0.503 409 Q N 0.832 120.376 119.800 -0.427 0.000 2.274 409 Q HA 0.684 5.024 4.340 0.000 0.000 0.268 409 Q C -1.923 173.890 176.000 -0.312 0.000 1.015 409 Q CA -0.563 54.907 55.803 -0.555 0.000 0.775 409 Q CB 2.787 30.778 28.738 -1.245 0.000 1.256 409 Q HN 0.347 nan 8.270 nan 0.000 0.442 410 L N 0.592 121.684 121.223 -0.218 0.000 2.422 410 L HA 0.889 5.229 4.340 0.000 0.000 0.264 410 L C -0.866 175.940 176.870 -0.107 0.000 0.984 410 L CA -0.162 54.593 54.840 -0.142 0.000 0.819 410 L CB 2.464 44.455 42.059 -0.113 0.000 1.330 410 L HN 0.605 nan 8.230 nan 0.000 0.410 411 G N 4.465 113.207 108.800 -0.095 0.000 2.753 411 G HA2 0.569 4.529 3.960 0.000 0.000 0.282 411 G HA3 0.569 4.529 3.960 0.000 0.000 0.282 411 G C -0.808 174.050 174.900 -0.071 0.000 1.512 411 G CA -0.247 44.814 45.100 -0.064 0.000 1.076 411 G HN 0.587 nan 8.290 nan 0.000 0.545 412 L N 2.502 123.717 121.223 -0.013 0.000 3.439 412 L HA 0.223 4.563 4.340 0.000 0.000 0.313 412 L C 0.499 177.449 176.870 0.134 0.000 1.292 412 L CA -0.664 54.211 54.840 0.058 0.000 1.020 412 L CB 0.181 42.284 42.059 0.074 0.000 1.424 412 L HN 0.613 nan 8.230 nan 0.000 0.612 413 N N -0.421 118.279 118.700 -0.000 0.000 2.503 413 N HA 0.034 4.774 4.740 0.000 0.000 0.267 413 N C -0.556 174.789 175.510 -0.274 0.000 1.214 413 N CA -0.144 52.847 53.050 -0.099 0.000 0.959 413 N CB 0.976 39.399 38.487 -0.107 0.000 1.142 413 N HN 0.029 nan 8.380 nan 0.000 0.455 414 D N -0.433 119.756 120.400 -0.350 0.000 2.746 414 D HA -0.123 4.517 4.640 0.000 0.000 0.236 414 D C -0.374 175.708 176.300 -0.364 0.000 1.129 414 D CA 0.792 54.501 54.000 -0.485 0.000 0.691 414 D CB -0.669 39.648 40.800 -0.804 0.000 1.077 414 D HN 0.598 nan 8.370 nan 0.000 0.432 415 Q N -0.265 119.435 119.800 -0.166 0.000 2.492 415 Q HA 0.613 4.953 4.340 0.000 0.000 0.238 415 Q C 0.418 176.431 176.000 0.023 0.000 1.045 415 Q CA 0.154 56.005 55.803 0.080 0.000 0.934 415 Q CB 1.231 30.218 28.738 0.415 0.000 1.276 415 Q HN 0.453 nan 8.270 nan 0.000 0.521 416 A N 1.016 123.947 122.820 0.185 0.000 2.532 416 A HA 0.633 4.953 4.320 0.000 0.000 0.296 416 A C -1.913 175.831 177.584 0.267 0.000 1.058 416 A CA -0.790 51.275 52.037 0.048 0.000 0.729 416 A CB 0.744 19.728 19.000 -0.026 0.000 1.285 416 A HN 0.734 nan 8.150 nan 0.000 0.396 417 W N 0.286 121.581 121.300 -0.009 0.000 3.074 417 W HA 0.776 5.436 4.660 0.000 0.000 0.332 417 W C -1.241 175.271 176.519 -0.013 0.000 1.253 417 W CA -0.705 56.642 57.345 0.005 0.000 1.180 417 W CB 0.838 30.317 29.460 0.031 0.000 1.445 417 W HN 0.545 nan 8.180 nan 0.000 0.573 418 T N 3.397 118.084 114.554 0.220 0.000 2.786 418 T HA 0.289 4.639 4.350 0.000 0.000 0.283 418 T C -0.249 174.599 174.700 0.248 0.000 0.992 418 T CA -0.602 61.562 62.100 0.106 0.000 0.954 418 T CB 0.424 69.333 68.868 0.068 0.000 0.934 418 T HN 0.365 nan 8.240 nan 0.000 0.440 419 N N 1.686 120.517 118.700 0.218 0.000 2.354 419 N HA 0.404 5.144 4.740 0.000 0.000 0.246 419 N C 0.285 175.884 175.510 0.149 0.000 1.285 419 N CA -0.365 52.831 53.050 0.244 0.000 0.925 419 N CB 0.415 39.042 38.487 0.233 0.000 1.174 419 N HN 0.776 nan 8.380 nan 0.000 0.478 420 A N 1.245 124.145 122.820 0.134 0.000 2.462 420 A HA 0.309 4.629 4.320 0.000 0.000 0.243 420 A C -2.015 175.622 177.584 0.088 0.000 1.076 420 A CA -0.796 51.298 52.037 0.096 0.000 0.773 420 A CB -0.569 18.481 19.000 0.084 0.000 1.010 420 A HN 0.426 nan 8.150 nan 0.000 0.493 421 P HA 0.264 nan 4.420 nan 0.000 0.269 421 P C -0.382 176.964 177.300 0.076 0.000 1.209 421 P CA 0.025 63.167 63.100 0.069 0.000 0.776 421 P CB 0.652 32.390 31.700 0.064 0.000 0.876 422 V N -0.103 119.860 119.914 0.081 0.000 2.815 422 V HA 0.550 4.670 4.120 0.000 0.000 0.314 422 V C -0.166 175.988 176.094 0.100 0.000 1.064 422 V CA -1.114 61.237 62.300 0.086 0.000 0.952 422 V CB 1.904 33.782 31.823 0.092 0.000 1.020 422 V HN 0.279 nan 8.190 nan 0.000 0.439 423 N N 1.872 120.627 118.700 0.093 0.000 2.492 423 N HA 0.163 4.903 4.740 0.000 0.000 0.262 423 N C -0.714 174.877 175.510 0.135 0.000 1.202 423 N CA 0.085 53.203 53.050 0.113 0.000 0.926 423 N CB 0.660 39.192 38.487 0.075 0.000 1.078 423 N HN 0.954 nan 8.380 nan 0.000 0.454 424 Y N 2.540 122.904 120.300 0.107 0.000 2.442 424 Y HA 0.143 4.693 4.550 0.000 0.000 0.330 424 Y C 0.194 176.157 175.900 0.106 0.000 1.129 424 Y CA -0.041 58.140 58.100 0.135 0.000 1.365 424 Y CB 0.436 39.079 38.460 0.305 0.000 1.233 424 Y HN 0.494 nan 8.280 nan 0.000 0.529 425 K N 3.334 123.206 120.400 -0.879 0.000 2.509 425 K HA 0.798 5.118 4.320 0.000 0.000 0.266 425 K C -0.244 175.775 176.600 -0.968 0.000 0.987 425 K CA -0.551 55.260 56.287 -0.794 0.000 0.868 425 K CB 1.411 33.743 32.500 -0.279 0.000 1.421 425 K HN 0.423 nan 8.250 nan 0.000 0.444 426 A N 0.855 123.374 122.820 -0.502 0.000 2.070 426 A HA -0.120 4.200 4.320 0.000 0.000 0.220 426 A C 0.847 178.381 177.584 -0.083 0.000 1.159 426 A CA 1.706 53.629 52.037 -0.191 0.000 0.656 426 A CB -0.836 18.151 19.000 -0.021 0.000 0.800 426 A HN 0.808 nan 8.150 nan 0.000 0.453 427 N N -0.715 117.932 118.700 -0.088 0.000 2.660 427 N HA 0.294 5.034 4.740 0.000 0.000 0.316 427 N C -0.752 174.765 175.510 0.011 0.000 1.774 427 N CA -0.217 52.827 53.050 -0.009 0.000 0.946 427 N CB 0.886 39.367 38.487 -0.010 0.000 1.322 427 N HN 0.088 nan 8.380 nan 0.000 0.492 428 V N 0.847 120.778 119.914 0.029 0.000 2.529 428 V HA 0.211 4.332 4.120 0.000 0.000 0.292 428 V C -0.217 176.014 176.094 0.228 0.000 1.028 428 V CA 0.606 62.962 62.300 0.093 0.000 1.074 428 V CB 1.060 32.920 31.823 0.062 0.000 0.958 428 V HN 0.304 nan 8.190 nan 0.000 0.481 429 S N 7.080 122.878 115.700 0.163 0.000 2.561 429 S HA 0.700 5.170 4.470 0.000 0.000 0.303 429 S C -0.675 174.026 174.600 0.168 0.000 1.110 429 S CA -0.833 57.453 58.200 0.143 0.000 1.034 429 S CB 1.058 64.288 63.200 0.050 0.000 1.010 429 S HN 0.860 nan 8.310 nan 0.000 0.482 430 I N 1.907 122.604 120.570 0.212 0.000 2.740 430 I HA 0.769 4.939 4.170 0.000 0.000 0.303 430 I C -2.869 173.319 176.117 0.119 0.000 1.044 430 I CA -3.086 58.332 61.300 0.198 0.000 1.064 430 I CB 2.298 40.484 38.000 0.310 0.000 1.249 430 I HN 0.325 nan 8.210 nan 0.000 0.433 431 P HA 0.159 nan 4.420 nan 0.000 0.281 431 P C -0.938 176.426 177.300 0.107 0.000 1.252 431 P CA -0.200 62.952 63.100 0.087 0.000 0.778 431 P CB 0.566 32.315 31.700 0.081 0.000 0.895 432 N N 1.965 120.713 118.700 0.080 0.000 2.454 432 N HA 0.016 4.757 4.740 0.000 0.000 0.260 432 N C 0.699 176.282 175.510 0.122 0.000 1.218 432 N CA 0.495 53.574 53.050 0.049 0.000 0.904 432 N CB 0.182 38.685 38.487 0.028 0.000 1.065 432 N HN 0.380 nan 8.380 nan 0.000 0.462 433 T N -0.908 113.764 114.554 0.198 0.000 3.040 433 T HA 0.182 4.532 4.350 0.000 0.000 0.266 433 T C 0.249 175.028 174.700 0.132 0.000 1.005 433 T CA -0.368 61.836 62.100 0.172 0.000 0.906 433 T CB -0.295 68.707 68.868 0.222 0.000 1.082 433 T HN 0.107 nan 8.240 nan 0.000 0.531 434 V N 2.305 122.273 119.914 0.091 0.000 2.427 434 V HA 0.395 4.515 4.120 0.000 0.000 0.268 434 V C 0.106 176.190 176.094 -0.016 0.000 1.046 434 V CA -0.415 61.841 62.300 -0.072 0.000 0.970 434 V CB 0.661 32.182 31.823 -0.503 0.000 1.001 434 V HN 0.361 nan 8.190 nan 0.000 0.476 435 K N 4.233 124.679 120.400 0.077 0.000 2.413 435 K HA 0.370 4.690 4.320 0.000 0.000 0.257 435 K C -0.148 176.531 176.600 0.133 0.000 0.946 435 K CA -0.726 55.611 56.287 0.083 0.000 0.823 435 K CB 1.143 33.668 32.500 0.042 0.000 1.109 435 K HN 0.661 nan 8.250 nan 0.000 0.427 436 N N 1.629 120.398 118.700 0.115 0.000 2.326 436 N HA -0.053 4.687 4.740 0.000 0.000 0.239 436 N C 1.091 176.601 175.510 -0.001 0.000 1.301 436 N CA -0.087 53.016 53.050 0.089 0.000 0.909 436 N CB 1.103 39.648 38.487 0.096 0.000 1.156 436 N HN 0.387 nan 8.380 nan 0.000 0.462 437 V N 1.054 120.945 119.914 -0.038 0.000 2.568 437 V HA -0.229 3.891 4.120 0.000 0.000 0.253 437 V C 1.988 178.066 176.094 -0.026 0.000 1.072 437 V CA 2.801 65.068 62.300 -0.055 0.000 1.084 437 V CB -1.000 30.784 31.823 -0.065 0.000 0.676 437 V HN 0.944 nan 8.190 nan 0.000 0.469 438 T N -3.050 111.500 114.554 -0.006 0.000 3.072 438 T HA 0.204 4.555 4.350 0.000 0.000 0.266 438 T C 1.637 176.338 174.700 0.002 0.000 1.127 438 T CA 1.125 63.225 62.100 0.000 0.000 1.107 438 T CB 0.241 69.115 68.868 0.010 0.000 0.910 438 T HN 1.275 nan 8.240 nan 0.000 0.513 439 G N 1.047 109.849 108.800 0.004 0.000 2.194 439 G HA2 -0.024 3.937 3.960 0.000 0.000 0.236 439 G HA3 -0.024 3.937 3.960 0.000 0.000 0.236 439 G C 0.285 175.196 174.900 0.019 0.000 0.987 439 G CA -0.130 44.975 45.100 0.007 0.000 0.635 439 G HN 1.165 nan 8.290 nan 0.000 0.520 440 A N 0.590 123.426 122.820 0.026 0.000 2.388 440 A HA 0.721 5.042 4.320 0.000 0.000 0.257 440 A C 0.729 178.341 177.584 0.047 0.000 1.095 440 A CA -0.200 51.859 52.037 0.036 0.000 0.791 440 A CB 0.365 19.388 19.000 0.037 0.000 1.029 440 A HN 0.839 nan 8.150 nan 0.000 0.489 441 L N 2.022 123.278 121.223 0.055 0.000 2.426 441 L HA 0.195 4.535 4.340 0.000 0.000 0.271 441 L C -0.127 176.773 176.870 0.051 0.000 1.169 441 L CA 0.160 55.035 54.840 0.059 0.000 0.836 441 L CB 0.486 42.603 42.059 0.096 0.000 1.112 441 L HN 0.545 nan 8.230 nan 0.000 0.465 442 I N 2.829 123.400 120.570 0.001 0.000 2.315 442 I HA 0.258 4.428 4.170 0.000 0.000 0.291 442 I C 0.613 176.660 176.117 -0.117 0.000 1.006 442 I CA -0.306 60.982 61.300 -0.020 0.000 1.265 442 I CB 1.493 39.477 38.000 -0.027 0.000 1.387 442 I HN 0.663 nan 8.210 nan 0.000 0.475 443 A N 8.621 131.371 122.820 -0.116 0.000 2.498 443 A HA 0.363 4.683 4.320 0.000 0.000 0.239 443 A C -2.299 175.084 177.584 -0.336 0.000 1.068 443 A CA -0.930 50.882 52.037 -0.375 0.000 0.766 443 A CB -0.550 18.387 19.000 -0.106 0.000 1.003 443 A HN 0.434 nan 8.150 nan 0.000 0.497 444 P HA 0.165 nan 4.420 nan 0.000 0.265 444 P C 0.666 177.914 177.300 -0.086 0.000 1.193 444 P CA 0.699 63.683 63.100 -0.192 0.000 0.765 444 P CB 0.934 32.448 31.700 -0.311 0.000 0.823 445 A N 3.014 125.838 122.820 0.007 0.000 1.872 445 A HA 0.066 4.386 4.320 0.000 0.000 0.214 445 A C 0.952 178.529 177.584 -0.010 0.000 1.187 445 A CA 1.906 53.939 52.037 -0.008 0.000 0.614 445 A CB -0.798 18.192 19.000 -0.016 0.000 0.826 445 A HN 0.600 nan 8.150 nan 0.000 0.442 446 T N -2.937 111.623 114.554 0.010 0.000 2.903 446 T HA 0.703 5.053 4.350 0.000 0.000 0.299 446 T C -0.917 173.824 174.700 0.069 0.000 1.093 446 T CA -0.616 61.496 62.100 0.021 0.000 1.002 446 T CB 1.514 70.388 68.868 0.011 0.000 1.127 446 T HN 0.205 nan 8.240 nan 0.000 0.488 447 I N 2.454 123.065 120.570 0.067 0.000 2.534 447 I HA 0.409 4.580 4.170 0.000 0.000 0.288 447 I C 0.616 176.849 176.117 0.192 0.000 1.077 447 I CA -0.993 60.387 61.300 0.134 0.000 1.051 447 I CB 2.449 40.420 38.000 -0.049 0.000 1.234 447 I HN 0.970 nan 8.210 nan 0.000 0.425 448 S N 2.410 118.300 115.700 0.316 0.000 2.596 448 S HA 0.174 4.644 4.470 0.000 0.000 0.260 448 S C 0.253 175.072 174.600 0.366 0.000 1.336 448 S CA -0.064 58.293 58.200 0.261 0.000 0.993 448 S CB 0.553 63.860 63.200 0.178 0.000 0.923 448 S HN 0.810 nan 8.310 nan 0.000 0.567 449 D N 0.078 120.606 120.400 0.212 0.000 2.751 449 D HA -0.074 4.566 4.640 0.000 0.000 0.233 449 D C 0.839 177.297 176.300 0.263 0.000 1.149 449 D CA 1.446 55.572 54.000 0.209 0.000 0.682 449 D CB -1.737 39.156 40.800 0.155 0.000 1.068 449 D HN 1.431 nan 8.370 nan 0.000 0.429 450 G N -1.494 107.411 108.800 0.174 0.000 2.168 450 G HA2 -0.182 3.778 3.960 0.000 0.000 0.257 450 G HA3 -0.182 3.778 3.960 0.000 0.000 0.257 450 G C 0.718 175.646 174.900 0.047 0.000 0.997 450 G CA 0.228 45.389 45.100 0.101 0.000 0.708 450 G HN 0.922 nan 8.290 nan 0.000 0.520 451 G N -0.336 108.463 108.800 -0.001 0.000 2.636 451 G HA2 0.643 4.603 3.960 0.000 0.000 0.246 451 G HA3 0.643 4.603 3.960 0.000 0.000 0.246 451 G C 0.455 175.170 174.900 -0.308 0.000 1.216 451 G CA 1.007 45.861 45.100 -0.411 0.000 0.854 451 G HN 1.720 nan 8.290 nan 0.000 0.572 452 S N -0.849 114.636 115.700 -0.357 0.000 2.667 452 S HA 0.667 5.138 4.470 0.000 0.000 0.292 452 S C -1.505 172.990 174.600 -0.174 0.000 1.126 452 S CA -0.885 57.196 58.200 -0.199 0.000 0.881 452 S CB 2.052 65.173 63.200 -0.131 0.000 1.132 452 S HN 0.774 nan 8.310 nan 0.000 0.492 453 Y N 0.531 120.688 120.300 -0.238 0.000 2.361 453 Y HA 0.611 5.162 4.550 0.000 0.000 0.337 453 Y C -0.988 174.820 175.900 -0.154 0.000 0.965 453 Y CA -0.494 57.471 58.100 -0.225 0.000 1.091 453 Y CB 2.137 40.474 38.460 -0.204 0.000 1.182 453 Y HN 0.846 nan 8.280 nan 0.000 0.450 454 T N 6.250 120.441 114.554 -0.604 0.000 3.008 454 T HA 0.132 4.482 4.350 0.000 0.000 0.328 454 T C -0.788 173.441 174.700 -0.784 0.000 1.020 454 T CA -0.733 61.027 62.100 -0.565 0.000 1.043 454 T CB 0.503 69.196 68.868 -0.291 0.000 1.010 454 T HN 0.711 nan 8.240 nan 0.000 0.466 455 E N 4.427 123.990 120.200 -1.063 0.000 2.900 455 E HA -0.073 4.277 4.350 0.000 0.000 0.259 455 E C -1.184 175.218 176.600 -0.331 0.000 0.918 455 E CA -0.638 55.315 56.400 -0.745 0.000 0.960 455 E CB 0.630 30.112 29.700 -0.362 0.000 0.908 455 E HN 0.293 nan 8.360 nan 0.000 0.511 456 P HA 0.180 nan 4.420 nan 0.000 0.261 456 P C -0.990 176.309 177.300 -0.002 0.000 1.352 456 P CA 0.025 63.085 63.100 -0.067 0.000 0.891 456 P CB 0.463 32.163 31.700 -0.000 0.000 1.383 457 D N 0.826 121.148 120.400 -0.130 0.000 2.192 457 D HA 0.331 4.972 4.640 0.000 0.000 0.246 457 D C 0.206 176.471 176.300 -0.060 0.000 1.042 457 D CA -0.417 53.547 54.000 -0.060 0.000 0.847 457 D CB 2.245 42.997 40.800 -0.079 0.000 1.186 457 D HN 0.064 nan 8.370 nan 0.000 0.461 458 I N 1.336 121.853 120.570 -0.088 0.000 2.321 458 I HA 0.169 4.339 4.170 0.000 0.000 0.291 458 I C 0.251 176.103 176.117 -0.442 0.000 0.998 458 I CA -0.080 61.019 61.300 -0.337 0.000 1.227 458 I CB 1.347 38.986 38.000 -0.602 0.000 1.368 458 I HN 0.026 nan 8.210 nan 0.000 0.466 459 T N 5.241 119.503 114.554 -0.486 0.000 2.841 459 T HA 0.440 4.791 4.350 0.000 0.000 0.283 459 T C -0.975 173.497 174.700 -0.381 0.000 1.000 459 T CA -0.519 61.414 62.100 -0.277 0.000 0.977 459 T CB 1.134 69.921 68.868 -0.136 0.000 0.979 459 T HN 0.362 nan 8.240 nan 0.000 0.446 460 W N 2.415 123.718 121.300 0.004 0.000 2.632 460 W HA 0.425 5.085 4.660 0.000 0.000 0.328 460 W C 0.022 176.543 176.519 0.003 0.000 1.044 460 W CA -0.764 56.588 57.345 0.012 0.000 1.225 460 W CB 1.488 30.965 29.460 0.028 0.000 1.396 460 W HN 0.447 nan 8.180 nan 0.000 0.499 461 N N 3.627 122.455 118.700 0.213 0.000 2.626 461 N HA 0.340 5.081 4.740 0.000 0.000 0.242 461 N C -1.202 174.400 175.510 0.153 0.000 1.005 461 N CA -0.158 52.971 53.050 0.132 0.000 0.905 461 N CB 0.443 38.974 38.487 0.072 0.000 1.128 461 N HN 0.313 nan 8.380 nan 0.000 0.512 462 L N 4.184 125.511 121.223 0.173 0.000 2.312 462 L HA 0.456 4.796 4.340 0.000 0.000 0.281 462 L C -0.631 176.333 176.870 0.156 0.000 1.070 462 L CA -1.354 53.593 54.840 0.180 0.000 0.805 462 L CB 1.144 43.350 42.059 0.244 0.000 1.174 462 L HN 0.370 nan 8.230 nan 0.000 0.434 463 P HA -0.053 nan 4.420 nan 0.000 0.221 463 P C 0.197 177.558 177.300 0.103 0.000 1.150 463 P CA 0.712 63.866 63.100 0.091 0.000 0.800 463 P CB 0.373 32.109 31.700 0.061 0.000 0.787 464 S N -2.329 113.433 115.700 0.103 0.000 2.688 464 S HA 0.352 4.822 4.470 0.000 0.000 0.275 464 S C -1.140 173.454 174.600 -0.011 0.000 1.175 464 S CA -0.998 57.252 58.200 0.084 0.000 0.818 464 S CB 0.685 63.904 63.200 0.031 0.000 1.157 464 S HN -0.001 nan 8.310 nan 0.000 0.482 465 Y N 1.610 121.711 120.300 -0.331 0.000 2.511 465 Y HA 0.508 5.058 4.550 0.000 0.000 0.332 465 Y C 0.240 175.888 175.900 -0.419 0.000 1.177 465 Y CA 0.926 58.519 58.100 -0.845 0.000 1.422 465 Y CB 0.677 38.641 38.460 -0.827 0.000 1.271 465 Y HN 0.929 nan 8.280 nan 0.000 0.550 466 T N 5.543 119.315 114.554 -1.304 0.000 2.900 466 T HA 0.271 4.621 4.350 0.000 0.000 0.295 466 T C 0.566 174.528 174.700 -1.229 0.000 1.044 466 T CA -0.773 60.752 62.100 -0.960 0.000 0.995 466 T CB 0.879 69.476 68.868 -0.451 0.000 1.072 466 T HN 0.873 nan 8.240 nan 0.000 0.473 467 N N 1.571 119.842 118.700 -0.714 0.000 2.289 467 N HA -0.029 4.711 4.740 0.000 0.000 0.184 467 N C 0.017 175.378 175.510 -0.248 0.000 1.016 467 N CA 1.037 53.873 53.050 -0.357 0.000 0.872 467 N CB 0.209 38.619 38.487 -0.129 0.000 0.973 467 N HN 0.788 nan 8.380 nan 0.000 0.433 468 E N -1.021 119.010 120.200 -0.280 0.000 2.416 468 E HA 0.444 4.794 4.350 0.000 0.000 0.280 468 E C -0.989 175.424 176.600 -0.311 0.000 1.055 468 E CA -1.007 55.246 56.400 -0.246 0.000 0.825 468 E CB 1.369 30.972 29.700 -0.162 0.000 1.312 468 E HN -0.124 nan 8.360 nan 0.000 0.452 469 V N -1.454 118.226 119.914 -0.391 0.000 3.155 469 V HA 1.016 5.137 4.120 0.000 0.000 0.313 469 V C -0.427 175.523 176.094 -0.240 0.000 1.162 469 V CA -0.169 61.841 62.300 -0.484 0.000 1.048 469 V CB 1.447 32.504 31.823 -1.276 0.000 1.092 469 V HN 1.415 nan 8.190 nan 0.000 0.447 470 S N 0.127 115.822 115.700 -0.008 0.000 2.611 470 S HA 0.873 5.344 4.470 0.000 0.000 0.268 470 S C -1.312 173.507 174.600 0.366 0.000 1.156 470 S CA -0.385 57.879 58.200 0.106 0.000 0.817 470 S CB 1.692 64.862 63.200 -0.050 0.000 1.122 470 S HN 2.375 nan 8.310 nan 0.000 0.466 471 Y N -1.536 118.813 120.300 0.082 0.000 2.609 471 Y HA 0.844 5.395 4.550 0.000 0.000 0.336 471 Y C -0.590 175.286 175.900 -0.041 0.000 1.129 471 Y CA -0.555 57.576 58.100 0.052 0.000 1.040 471 Y CB 1.019 39.527 38.460 0.079 0.000 1.310 471 Y HN 1.067 nan 8.280 nan 0.000 0.460 472 T N 0.047 114.651 114.554 0.084 0.000 2.930 472 T HA 0.842 5.192 4.350 0.000 0.000 0.290 472 T C -1.103 173.670 174.700 0.121 0.000 1.052 472 T CA -0.667 61.388 62.100 -0.076 0.000 1.017 472 T CB 1.925 70.702 68.868 -0.152 0.000 1.137 472 T HN 1.070 nan 8.240 nan 0.000 0.511 473 F N -1.531 118.332 119.950 -0.146 0.000 2.613 473 F HA 0.856 5.383 4.527 0.000 0.000 0.310 473 F C -0.628 175.068 175.800 -0.173 0.000 1.085 473 F CA -1.147 56.767 58.000 -0.143 0.000 0.945 473 F CB 1.869 40.772 39.000 -0.162 0.000 1.298 473 F HN 0.741 nan 8.300 nan 0.000 0.455 474 S N 1.964 117.663 115.700 -0.002 0.000 2.614 474 S HA 0.454 4.924 4.470 0.000 0.000 0.259 474 S C -1.932 172.697 174.600 0.049 0.000 1.118 474 S CA -0.252 57.908 58.200 -0.066 0.000 1.065 474 S CB 0.973 64.112 63.200 -0.102 0.000 1.121 474 S HN 0.924 nan 8.310 nan 0.000 0.458 475 Q N 4.914 124.782 119.800 0.112 0.000 2.337 475 Q HA 0.544 4.885 4.340 0.000 0.000 0.260 475 Q C -2.940 173.151 176.000 0.151 0.000 0.982 475 Q CA -1.691 54.197 55.803 0.143 0.000 0.734 475 Q CB 1.787 30.647 28.738 0.203 0.000 1.272 475 Q HN 0.346 nan 8.270 nan 0.000 0.461 476 P HA 0.111 nan 4.420 nan 0.000 0.266 476 P C -1.289 176.061 177.300 0.084 0.000 1.195 476 P CA -0.160 62.984 63.100 0.074 0.000 0.768 476 P CB 0.981 32.706 31.700 0.041 0.000 0.838 477 V N 2.803 122.758 119.914 0.068 0.000 3.048 477 V HA 0.504 4.624 4.120 0.000 0.000 0.303 477 V C -1.237 174.863 176.094 0.010 0.000 1.214 477 V CA -0.224 62.105 62.300 0.048 0.000 0.984 477 V CB 2.706 34.570 31.823 0.068 0.000 1.054 477 V HN 0.459 nan 8.190 nan 0.000 0.430 478 T N 7.079 121.630 114.554 -0.005 0.000 2.824 478 T HA 0.671 5.021 4.350 0.000 0.000 0.282 478 T C -0.720 173.963 174.700 -0.029 0.000 0.993 478 T CA -0.151 61.935 62.100 -0.022 0.000 0.967 478 T CB 1.105 69.961 68.868 -0.019 0.000 0.960 478 T HN 0.537 nan 8.240 nan 0.000 0.441 479 I N 2.814 123.359 120.570 -0.042 0.000 2.418 479 I HA 0.523 4.694 4.170 0.000 0.000 0.287 479 I C 1.166 177.260 176.117 -0.039 0.000 1.008 479 I CA -0.431 60.844 61.300 -0.042 0.000 1.104 479 I CB 1.319 39.287 38.000 -0.054 0.000 1.264 479 I HN 0.900 nan 8.210 nan 0.000 0.438 480 G N 6.341 115.124 108.800 -0.029 0.000 2.601 480 G HA2 -0.337 3.623 3.960 0.000 0.000 0.306 480 G HA3 -0.337 3.623 3.960 0.000 0.000 0.306 480 G C 0.658 175.541 174.900 -0.027 0.000 1.172 480 G CA 0.534 45.620 45.100 -0.023 0.000 0.966 480 G HN 0.641 nan 8.290 nan 0.000 0.542 481 K N 1.128 121.507 120.400 -0.036 0.000 2.402 481 K HA 0.397 4.717 4.320 0.000 0.000 0.204 481 K C 0.961 177.519 176.600 -0.071 0.000 1.056 481 K CA 0.437 56.697 56.287 -0.044 0.000 1.069 481 K CB 1.307 33.785 32.500 -0.037 0.000 0.888 481 K HN 0.634 nan 8.250 nan 0.000 0.546 482 G N 1.010 109.760 108.800 -0.083 0.000 2.325 482 G HA2 0.280 4.240 3.960 0.000 0.000 0.298 482 G HA3 0.280 4.240 3.960 0.000 0.000 0.298 482 G C -0.548 174.300 174.900 -0.086 0.000 1.134 482 G CA -0.018 45.013 45.100 -0.115 0.000 0.876 482 G HN -0.107 nan 8.290 nan 0.000 0.452 483 T N 1.087 115.589 114.554 -0.087 0.000 2.829 483 T HA 0.729 5.079 4.350 0.000 0.000 0.280 483 T C -0.090 174.579 174.700 -0.052 0.000 0.999 483 T CA -0.358 61.708 62.100 -0.056 0.000 0.983 483 T CB 2.023 70.864 68.868 -0.045 0.000 0.968 483 T HN 0.624 nan 8.240 nan 0.000 0.446 484 T N 0.710 115.251 114.554 -0.022 0.000 2.731 484 T HA 0.544 4.894 4.350 0.000 0.000 0.300 484 T C -1.326 173.395 174.700 0.035 0.000 1.283 484 T CA -0.443 61.655 62.100 -0.004 0.000 1.005 484 T CB 1.678 70.540 68.868 -0.009 0.000 1.420 484 T HN 0.482 nan 8.240 nan 0.000 0.503 485 T N 2.687 117.268 114.554 0.045 0.000 2.788 485 T HA 0.461 4.811 4.350 0.000 0.000 0.296 485 T C -1.050 173.739 174.700 0.149 0.000 1.009 485 T CA -0.274 61.870 62.100 0.073 0.000 0.949 485 T CB 0.013 68.891 68.868 0.016 0.000 0.946 485 T HN 0.400 nan 8.240 nan 0.000 0.453 486 F N 5.482 125.461 119.950 0.048 0.000 2.434 486 F HA 0.496 5.023 4.527 0.000 0.000 0.358 486 F C 0.445 176.344 175.800 0.166 0.000 1.136 486 F CA -1.127 56.953 58.000 0.133 0.000 1.157 486 F CB -0.508 38.604 39.000 0.187 0.000 1.167 486 F HN 0.514 nan 8.300 nan 0.000 0.539 487 S N 3.780 119.342 115.700 -0.230 0.000 2.627 487 S HA 1.038 5.509 4.470 0.000 0.000 0.283 487 S C -0.423 173.400 174.600 -1.296 0.000 1.127 487 S CA -0.323 57.361 58.200 -0.861 0.000 0.863 487 S CB 1.767 64.684 63.200 -0.472 0.000 1.121 487 S HN 1.185 nan 8.310 nan 0.000 0.479 488 G N -0.237 107.465 108.800 -1.830 0.000 2.349 488 G HA2 0.526 4.486 3.960 0.000 0.000 0.294 488 G HA3 0.526 4.486 3.960 0.000 0.000 0.294 488 G C -1.696 172.667 174.900 -0.895 0.000 1.380 488 G CA -0.602 43.787 45.100 -1.185 0.000 0.811 488 G HN 0.863 nan 8.290 nan 0.000 0.519 489 T N 0.227 114.429 114.554 -0.588 0.000 2.841 489 T HA 0.589 4.939 4.350 0.000 0.000 0.285 489 T C -0.597 173.678 174.700 -0.708 0.000 0.991 489 T CA -0.384 61.407 62.100 -0.514 0.000 0.966 489 T CB 1.702 70.367 68.868 -0.339 0.000 0.962 489 T HN 0.655 nan 8.240 nan 0.000 0.438 490 V N 3.666 123.049 119.914 -0.885 0.000 2.357 490 V HA 0.451 4.571 4.120 0.000 0.000 0.284 490 V C 0.274 175.994 176.094 -0.624 0.000 1.018 490 V CA -0.709 60.920 62.300 -1.119 0.000 0.841 490 V CB 1.588 32.466 31.823 -1.575 0.000 0.991 490 V HN 0.946 nan 8.190 nan 0.000 0.437 491 T N 4.544 118.846 114.554 -0.421 0.000 2.767 491 T HA 0.414 4.764 4.350 0.000 0.000 0.284 491 T C -0.318 174.305 174.700 -0.128 0.000 0.973 491 T CA -0.259 61.712 62.100 -0.214 0.000 0.996 491 T CB 1.303 70.077 68.868 -0.156 0.000 0.927 491 T HN 0.661 nan 8.240 nan 0.000 0.456 492 Q N 4.462 124.206 119.800 -0.093 0.000 2.413 492 Q HA 0.387 4.727 4.340 0.000 0.000 0.258 492 Q C -2.771 173.175 176.000 -0.090 0.000 1.037 492 Q CA -2.333 53.441 55.803 -0.048 0.000 0.764 492 Q CB 1.032 29.754 28.738 -0.028 0.000 1.217 492 Q HN 0.236 nan 8.270 nan 0.000 0.490 493 P HA 0.136 nan 4.420 nan 0.000 0.271 493 P C -0.973 176.323 177.300 -0.007 0.000 1.218 493 P CA 0.052 63.134 63.100 -0.029 0.000 0.780 493 P CB 0.648 32.355 31.700 0.012 0.000 0.901 494 L N 2.869 124.095 121.223 0.005 0.000 2.343 494 L HA 0.401 4.741 4.340 0.000 0.000 0.278 494 L C 0.441 177.462 176.870 0.252 0.000 0.996 494 L CA -0.724 54.179 54.840 0.104 0.000 0.831 494 L CB 1.413 43.511 42.059 0.066 0.000 1.232 494 L HN 0.197 nan 8.230 nan 0.000 0.413 495 K N 1.479 122.016 120.400 0.228 0.000 2.322 495 K HA 0.197 4.517 4.320 0.000 0.000 0.283 495 K C 1.143 177.860 176.600 0.194 0.000 1.042 495 K CA -0.043 56.356 56.287 0.186 0.000 0.958 495 K CB 1.714 34.276 32.500 0.103 0.000 0.984 495 K HN 0.797 nan 8.250 nan 0.000 0.473 496 G N 1.977 110.751 108.800 -0.044 0.000 2.471 496 G HA2 0.021 3.981 3.960 0.000 0.000 0.219 496 G HA3 0.021 3.981 3.960 0.000 0.000 0.219 496 G C 0.547 175.360 174.900 -0.144 0.000 1.125 496 G CA 0.771 45.629 45.100 -0.403 0.000 0.775 496 G HN 0.765 nan 8.290 nan 0.000 0.548 497 G N 0.000 108.771 108.800 -0.049 0.000 5.446 497 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 497 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 497 G CA 0.000 nan 45.100 nan 0.000 0.502 497 G HN 0.000 nan 8.290 nan 0.000 0.925