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 3gyx_1_C DATA FIRST_RESID 3 DATA SEQUENCE KIPSKETPRG VAIAEPIIVE HSVDLLMVGG GMGNCGAAFE AVRWADKYAP DATA SEQUENCE EAKILLVDKA SLERSGAVAQ GLSAINTYLG DNNADDYVRM VRTDLMGLVR DATA SEQUENCE EDLIYDLGRH VDDSVHLFEE WGLPVWIKDE HGHNLDGAQA KAAGKSLRNG DATA SEQUENCE DKPVRSGRWQ IMINGESYKV IVAEAAKNAL GQDRIIERIF IVKLLLDKNT DATA SEQUENCE PNRIAGAVGF NLRANEVHIF KANAMVVACG GAVNVYRPRS VGEGMGRAWY DATA SEQUENCE PVWNAGSTYT MCAQVGAEMT MMENRFVPAR FKDGYGPVGA WFLLFKAKAT DATA SEQUENCE NCKGEDYCAT NRAMLKPYEE RGYAKGHVIP TCLRNHMMLR EMREGRGPIY DATA SEQUENCE MDTKTALQTS FATMSPAQQK HLEAEAWEDF LDMCVGQANL WAATNCAPEE DATA SEQUENCE RGSEIMPTEP YLLGSHSGCC GIWASGPDEA WVPEDYKVRA ANGKVYNRMT DATA SEQUENCE TVEGLWTCAD GVGASGHKFS SGSHAEGRIV GKQMVRWYLD HKDFKPEFVE DATA SEQUENCE TAEELKTLIY RPYYNYEKGK GASTCPVVNP EYISPKNFMM RLIKCTDEYG DATA SEQUENCE GGVGTYYNTS KALLDTGFWL MEMLEEDSLK LAARDLHELL RCWENYHRLW DATA SEQUENCE TVRLHMQHIA FREESRYPGF YYRADFLGLD DSKWKCFVNS KYDPAKKETK DATA SEQUENCE IFKKPYYQII PD 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.610 176.600 0.016 0.000 0.988 3 K CA 0.000 56.295 56.287 0.013 0.000 0.838 3 K CB 0.000 32.507 32.500 0.011 0.000 1.064 4 I N 4.769 125.350 120.570 0.018 0.000 2.598 4 I HA 0.060 4.229 4.170 -0.000 0.000 0.284 4 I C -1.653 174.481 176.117 0.029 0.000 1.140 4 I CA -1.816 59.497 61.300 0.022 0.000 1.420 4 I CB 1.255 39.268 38.000 0.020 0.000 1.387 4 I HN 0.256 nan 8.210 nan 0.000 0.553 5 P HA -0.107 nan 4.420 nan 0.000 0.226 5 P C 0.946 178.280 177.300 0.056 0.000 1.153 5 P CA 0.826 63.950 63.100 0.040 0.000 0.777 5 P CB 0.002 31.726 31.700 0.039 0.000 0.794 6 S N -1.147 114.591 115.700 0.064 0.000 2.603 6 S HA 0.102 4.572 4.470 -0.000 0.000 0.220 6 S C 1.536 176.184 174.600 0.080 0.000 0.967 6 S CA 0.228 58.482 58.200 0.090 0.000 0.920 6 S CB -0.531 62.721 63.200 0.087 0.000 0.773 6 S HN 0.145 nan 8.310 nan 0.000 0.529 7 K N 0.741 121.175 120.400 0.056 0.000 2.358 7 K HA 0.230 4.550 4.320 -0.000 0.000 0.200 7 K C -0.175 176.451 176.600 0.042 0.000 1.030 7 K CA -0.083 56.233 56.287 0.048 0.000 1.097 7 K CB 0.423 32.944 32.500 0.035 0.000 0.862 7 K HN 0.507 nan 8.250 nan 0.000 0.534 8 E N 1.238 121.463 120.200 0.041 0.000 2.398 8 E HA 0.016 4.366 4.350 -0.000 0.000 0.263 8 E C -0.546 176.071 176.600 0.029 0.000 1.046 8 E CA 0.226 56.644 56.400 0.030 0.000 0.908 8 E CB 0.779 30.493 29.700 0.025 0.000 0.963 8 E HN -0.069 nan 8.360 nan 0.000 0.431 9 T N 4.746 119.312 114.554 0.019 0.000 2.779 9 T HA 0.058 4.408 4.350 -0.000 0.000 0.296 9 T C -1.602 173.098 174.700 0.001 0.000 0.938 9 T CA -1.254 60.855 62.100 0.015 0.000 1.119 9 T CB 0.661 69.535 68.868 0.011 0.000 0.891 9 T HN 0.328 nan 8.240 nan 0.000 0.526 10 P HA -0.216 nan 4.420 nan 0.000 0.222 10 P C 1.138 178.417 177.300 -0.035 0.000 1.139 10 P CA 0.819 63.899 63.100 -0.034 0.000 0.790 10 P CB -0.102 31.572 31.700 -0.044 0.000 0.757 11 R N -4.247 116.237 120.500 -0.027 0.000 4.018 11 R HA -0.203 4.137 4.340 -0.000 0.000 0.412 11 R C 0.786 177.055 176.300 -0.052 0.000 1.112 11 R CA 1.375 57.453 56.100 -0.037 0.000 1.358 11 R CB -2.751 27.525 30.300 -0.040 0.000 1.925 11 R HN 0.320 nan 8.270 nan 0.000 0.561 12 G N 0.149 108.925 108.800 -0.040 0.000 2.531 12 G HA2 0.459 4.419 3.960 -0.000 0.000 0.253 12 G HA3 0.459 4.419 3.960 -0.000 0.000 0.253 12 G C 1.033 175.923 174.900 -0.017 0.000 1.439 12 G CA -0.120 44.964 45.100 -0.027 0.000 1.056 12 G HN 0.024 nan 8.290 nan 0.000 0.555 13 V N 0.030 119.944 119.914 0.002 0.000 2.239 13 V HA 0.233 4.353 4.120 -0.000 0.000 0.236 13 V C 2.228 178.324 176.094 0.003 0.000 1.040 13 V CA 2.985 65.288 62.300 0.005 0.000 0.996 13 V CB -0.404 31.433 31.823 0.022 0.000 0.640 13 V HN 0.996 nan 8.190 nan 0.000 0.456 14 A N -2.477 120.344 122.820 0.002 0.000 1.766 14 A HA 0.424 4.744 4.320 -0.000 0.000 0.172 14 A C 0.406 177.988 177.584 -0.004 0.000 1.489 14 A CA 0.455 52.495 52.037 0.005 0.000 1.662 14 A CB 0.071 19.077 19.000 0.009 0.000 1.591 14 A HN 0.486 nan 8.150 nan 0.000 0.804 15 I N -0.731 119.818 120.570 -0.034 0.000 8.155 15 I HA 0.070 4.239 4.170 -0.000 0.000 0.126 15 I C -0.414 175.595 176.117 -0.179 0.000 1.850 15 I CA 0.553 61.782 61.300 -0.118 0.000 2.041 15 I CB -0.360 37.562 38.000 -0.131 0.000 3.776 15 I HN 1.567 nan 8.210 nan 0.000 0.170 16 A N 5.805 128.433 122.820 -0.320 0.000 2.599 16 A HA 0.652 4.972 4.320 -0.000 0.000 0.290 16 A C -0.463 176.884 177.584 -0.396 0.000 1.101 16 A CA -0.647 51.227 52.037 -0.272 0.000 0.674 16 A CB 1.229 20.206 19.000 -0.038 0.000 1.277 16 A HN 0.564 nan 8.150 nan 0.000 0.419 17 E N 1.925 122.031 120.200 -0.157 0.000 2.868 17 E HA 0.032 4.382 4.350 -0.000 0.000 0.246 17 E C -1.731 174.711 176.600 -0.263 0.000 0.962 17 E CA -0.457 55.868 56.400 -0.125 0.000 0.955 17 E CB 0.057 29.791 29.700 0.056 0.000 0.903 17 E HN 0.404 nan 8.360 nan 0.000 0.524 18 P HA 0.070 nan 4.420 nan 0.000 0.288 18 P C 0.832 177.991 177.300 -0.234 0.000 1.291 18 P CA -0.367 62.442 63.100 -0.485 0.000 0.766 18 P CB 0.903 32.033 31.700 -0.949 0.000 1.242 19 I N -1.369 119.100 120.570 -0.168 0.000 3.194 19 I HA 0.163 4.333 4.170 -0.000 0.000 0.271 19 I C 0.862 176.909 176.117 -0.116 0.000 1.150 19 I CA 0.122 61.354 61.300 -0.113 0.000 1.440 19 I CB -0.613 37.336 38.000 -0.085 0.000 1.276 19 I HN 0.332 nan 8.210 nan 0.000 0.457 20 I N 1.332 121.828 120.570 -0.123 0.000 7.989 20 I HA -0.192 3.978 4.170 -0.000 0.000 0.126 20 I C -0.467 175.524 176.117 -0.209 0.000 1.847 20 I CA 0.026 61.246 61.300 -0.133 0.000 2.041 20 I CB -0.838 37.109 38.000 -0.089 0.000 3.747 20 I HN -0.002 nan 8.210 nan 0.000 0.170 21 V N 6.372 126.080 119.914 -0.344 0.000 2.487 21 V HA 0.619 4.739 4.120 -0.000 0.000 0.298 21 V C 0.091 175.827 176.094 -0.596 0.000 1.028 21 V CA -0.145 61.867 62.300 -0.480 0.000 0.860 21 V CB 2.113 33.568 31.823 -0.614 0.000 0.991 21 V HN 0.569 nan 8.190 nan 0.000 0.427 22 E N 4.360 124.232 120.200 -0.546 0.000 2.214 22 E HA 0.618 4.968 4.350 -0.000 0.000 0.274 22 E C -1.567 174.603 176.600 -0.717 0.000 0.977 22 E CA -0.574 55.537 56.400 -0.482 0.000 0.827 22 E CB 1.551 31.118 29.700 -0.221 0.000 1.130 22 E HN 0.905 nan 8.360 nan 0.000 0.394 23 H N -0.280 118.658 119.070 -0.219 0.000 2.689 23 H HA 0.312 4.868 4.556 -0.000 0.000 0.346 23 H C -1.227 174.110 175.328 0.015 0.000 1.037 23 H CA -0.880 55.104 56.048 -0.107 0.000 1.234 23 H CB 1.557 31.238 29.762 -0.136 0.000 1.572 23 H HN 0.325 nan 8.280 nan 0.000 0.524 24 S N 2.497 118.275 115.700 0.131 0.000 2.474 24 S HA 0.658 5.128 4.470 -0.000 0.000 0.321 24 S C -0.478 174.206 174.600 0.140 0.000 1.080 24 S CA -0.718 57.557 58.200 0.124 0.000 1.106 24 S CB 1.248 64.480 63.200 0.054 0.000 0.984 24 S HN 0.386 nan 8.310 nan 0.000 0.464 25 V N 1.749 121.763 119.914 0.167 0.000 3.141 25 V HA 0.415 4.535 4.120 -0.000 0.000 0.312 25 V C -0.452 175.715 176.094 0.120 0.000 1.157 25 V CA -0.687 61.693 62.300 0.133 0.000 1.041 25 V CB 2.432 34.346 31.823 0.151 0.000 1.071 25 V HN 0.947 nan 8.190 nan 0.000 0.441 26 D N 1.279 121.708 120.400 0.048 0.000 2.214 26 D HA 0.146 4.786 4.640 -0.000 0.000 0.217 26 D C -0.214 176.106 176.300 0.033 0.000 0.973 26 D CA 1.125 55.139 54.000 0.024 0.000 0.880 26 D CB 0.344 40.990 40.800 -0.256 0.000 1.031 26 D HN 0.136 nan 8.370 nan 0.000 0.468 27 L N 1.358 122.557 121.223 -0.040 0.000 2.305 27 L HA 0.334 4.674 4.340 -0.000 0.000 0.284 27 L C -0.687 176.158 176.870 -0.043 0.000 1.013 27 L CA -0.505 54.309 54.840 -0.044 0.000 0.819 27 L CB 1.836 43.839 42.059 -0.094 0.000 1.227 27 L HN -0.089 nan 8.230 nan 0.000 0.417 28 L N 4.640 125.836 121.223 -0.044 0.000 2.329 28 L HA 0.693 5.033 4.340 -0.000 0.000 0.279 28 L C -0.803 175.989 176.870 -0.130 0.000 1.014 28 L CA -0.236 54.552 54.840 -0.087 0.000 0.814 28 L CB 1.441 43.454 42.059 -0.077 0.000 1.257 28 L HN 0.535 nan 8.230 nan 0.000 0.424 29 M N 5.887 125.387 119.600 -0.166 0.000 2.046 29 M HA 0.392 4.872 4.480 -0.000 0.000 0.309 29 M C -1.136 175.037 176.300 -0.212 0.000 0.935 29 M CA -0.698 54.503 55.300 -0.164 0.000 0.915 29 M CB 1.686 34.205 32.600 -0.134 0.000 1.474 29 M HN 0.208 nan 8.290 nan 0.000 0.415 30 V N 2.974 122.757 119.914 -0.218 0.000 2.368 30 V HA 0.858 4.978 4.120 -0.000 0.000 0.266 30 V C 0.646 176.615 176.094 -0.208 0.000 1.045 30 V CA -0.177 61.968 62.300 -0.258 0.000 0.899 30 V CB 0.430 32.086 31.823 -0.279 0.000 1.006 30 V HN 1.078 nan 8.190 nan 0.000 0.470 31 G N 3.587 112.266 108.800 -0.201 0.000 2.525 31 G HA2 0.372 4.332 3.960 -0.000 0.000 0.685 31 G HA3 0.372 4.332 3.960 -0.000 0.000 0.685 31 G C -0.044 174.780 174.900 -0.127 0.000 1.285 31 G CA -0.362 44.646 45.100 -0.153 0.000 0.849 31 G HN 1.212 nan 8.290 nan 0.000 0.653 32 G N -0.226 108.511 108.800 -0.106 0.000 4.552 32 G HA2 0.708 4.668 3.960 -0.000 0.000 0.281 32 G HA3 0.708 4.668 3.960 -0.000 0.000 0.281 32 G C 0.684 175.542 174.900 -0.069 0.000 1.037 32 G CA 1.096 46.142 45.100 -0.089 0.000 0.806 32 G HN 1.448 nan 8.290 nan 0.000 0.495 33 G N -0.187 108.579 108.800 -0.057 0.000 2.531 33 G HA2 0.384 4.344 3.960 -0.000 0.000 0.253 33 G HA3 0.384 4.344 3.960 -0.000 0.000 0.253 33 G C 1.369 176.258 174.900 -0.019 0.000 1.439 33 G CA -0.429 44.645 45.100 -0.044 0.000 1.056 33 G HN 0.000 nan 8.290 nan 0.000 0.555 34 M N 0.261 119.858 119.600 -0.006 0.000 2.108 34 M HA -0.064 4.416 4.480 -0.000 0.000 0.261 34 M C 2.695 179.049 176.300 0.088 0.000 1.066 34 M CA 1.718 57.058 55.300 0.066 0.000 1.107 34 M CB -1.669 30.968 32.600 0.062 0.000 1.356 34 M HN 0.590 nan 8.290 nan 0.000 0.406 35 G N 0.817 109.638 108.800 0.036 0.000 2.552 35 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 35 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 35 G C 1.339 176.217 174.900 -0.038 0.000 1.240 35 G CA 1.040 46.143 45.100 0.004 0.000 0.796 35 G HN 0.389 nan 8.290 nan 0.000 0.568 36 N N -0.322 118.352 118.700 -0.044 0.000 2.309 36 N HA -0.069 4.671 4.740 -0.000 0.000 0.182 36 N C 2.030 177.516 175.510 -0.040 0.000 1.018 36 N CA 0.644 53.659 53.050 -0.058 0.000 0.876 36 N CB -0.559 37.882 38.487 -0.076 0.000 0.972 36 N HN 0.296 nan 8.380 nan 0.000 0.434 37 C N -0.135 119.157 119.300 -0.014 0.000 2.413 37 C HA -0.049 4.411 4.460 -0.000 0.000 0.276 37 C C 2.713 177.709 174.990 0.011 0.000 1.248 37 C CA 1.056 60.095 59.018 0.035 0.000 1.742 37 C CB -1.326 26.480 27.740 0.109 0.000 2.017 37 C HN 0.548 nan 8.230 nan 0.000 0.481 38 G N 0.114 108.784 108.800 -0.218 0.000 2.421 38 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.216 38 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.216 38 G C 1.899 176.764 174.900 -0.058 0.000 1.171 38 G CA 1.092 45.933 45.100 -0.432 0.000 0.775 38 G HN 0.623 nan 8.290 nan 0.000 0.543 39 A N 1.295 124.074 122.820 -0.068 0.000 1.883 39 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 39 A C 2.841 180.411 177.584 -0.022 0.000 1.186 39 A CA 2.637 54.636 52.037 -0.064 0.000 0.624 39 A CB -0.941 18.000 19.000 -0.099 0.000 0.822 39 A HN 0.862 nan 8.150 nan 0.000 0.444 40 A N -1.340 121.484 122.820 0.008 0.000 1.898 40 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 40 A C 2.098 179.740 177.584 0.097 0.000 1.181 40 A CA 1.512 53.565 52.037 0.027 0.000 0.620 40 A CB -0.752 18.259 19.000 0.019 0.000 0.819 40 A HN 0.766 nan 8.150 nan 0.000 0.442 41 F N 0.744 120.708 119.950 0.023 0.000 2.095 41 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 41 F C 2.222 178.096 175.800 0.123 0.000 1.104 41 F CA 2.405 60.460 58.000 0.092 0.000 1.232 41 F CB -0.086 39.030 39.000 0.192 0.000 0.987 41 F HN 0.319 nan 8.300 nan 0.000 0.475 42 E N 0.649 120.824 120.200 -0.041 0.000 2.028 42 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 42 E C 2.214 178.856 176.600 0.069 0.000 0.984 42 E CA 1.389 57.756 56.400 -0.055 0.000 0.800 42 E CB -0.618 29.127 29.700 0.075 0.000 0.758 42 E HN 0.411 nan 8.360 nan 0.000 0.448 43 A N 0.210 123.047 122.820 0.029 0.000 1.917 43 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 43 A C 2.494 180.117 177.584 0.066 0.000 1.182 43 A CA 1.857 53.916 52.037 0.036 0.000 0.633 43 A CB -0.975 18.000 19.000 -0.041 0.000 0.819 43 A HN 0.212 nan 8.150 nan 0.000 0.448 44 V N 0.039 119.959 119.914 0.009 0.000 2.287 44 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 44 V C 2.703 178.790 176.094 -0.011 0.000 1.053 44 V CA 2.452 64.748 62.300 -0.007 0.000 1.027 44 V CB -0.831 30.977 31.823 -0.024 0.000 0.646 44 V HN 0.651 nan 8.190 nan 0.000 0.447 45 R N -0.448 120.017 120.500 -0.058 0.000 2.080 45 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 45 R C 1.931 178.169 176.300 -0.103 0.000 1.137 45 R CA 2.091 58.111 56.100 -0.135 0.000 0.943 45 R CB -1.061 29.085 30.300 -0.256 0.000 0.846 45 R HN 0.569 nan 8.270 nan 0.000 0.431 46 W N 0.239 121.536 121.300 -0.005 0.000 2.363 46 W HA 0.053 4.713 4.660 0.000 0.000 0.296 46 W C 2.386 178.988 176.519 0.139 0.000 1.212 46 W CA 1.443 58.854 57.345 0.110 0.000 1.260 46 W CB -0.651 28.864 29.460 0.092 0.000 1.131 46 W HN 0.284 nan 8.180 nan 0.000 0.530 47 A N 0.126 123.100 122.820 0.257 0.000 1.898 47 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 47 A C 1.734 179.371 177.584 0.089 0.000 1.181 47 A CA 2.033 54.165 52.037 0.159 0.000 0.620 47 A CB -0.831 18.209 19.000 0.067 0.000 0.819 47 A HN 0.133 nan 8.150 nan 0.000 0.442 48 D N -0.488 119.927 120.400 0.024 0.000 2.123 48 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 48 D C 1.929 178.186 176.300 -0.072 0.000 0.992 48 D CA 1.492 55.473 54.000 -0.032 0.000 0.833 48 D CB -0.104 40.658 40.800 -0.063 0.000 0.954 48 D HN 0.537 nan 8.370 nan 0.000 0.455 49 K N -0.704 119.609 120.400 -0.144 0.000 2.044 49 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 49 K C 1.784 178.218 176.600 -0.275 0.000 1.045 49 K CA 0.657 56.753 56.287 -0.319 0.000 0.951 49 K CB 0.044 32.164 32.500 -0.633 0.000 0.738 49 K HN 0.155 nan 8.250 nan 0.000 0.443 50 Y N -0.710 119.634 120.300 0.072 0.000 2.503 50 Y HA 0.278 4.828 4.550 0.000 0.000 0.278 50 Y C 0.553 176.534 175.900 0.136 0.000 1.111 50 Y CA 0.228 58.395 58.100 0.111 0.000 1.270 50 Y CB 0.841 39.401 38.460 0.167 0.000 1.063 50 Y HN 0.047 nan 8.280 nan 0.000 0.548 51 A N -0.238 122.739 122.820 0.262 0.000 3.300 51 A HA 0.436 4.756 4.320 -0.000 0.000 0.300 51 A C -2.331 175.327 177.584 0.124 0.000 1.099 51 A CA -0.911 51.274 52.037 0.245 0.000 0.846 51 A CB 0.208 19.426 19.000 0.363 0.000 1.255 51 A HN -0.032 nan 8.150 nan 0.000 0.519 52 P HA -0.130 nan 4.420 nan 0.000 0.223 52 P C 1.432 178.753 177.300 0.034 0.000 1.151 52 P CA 1.169 64.293 63.100 0.039 0.000 0.787 52 P CB 0.351 32.066 31.700 0.025 0.000 0.788 53 E N 0.467 120.704 120.200 0.063 0.000 2.285 53 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 53 E C 0.656 177.259 176.600 0.005 0.000 0.997 53 E CA 0.213 56.647 56.400 0.056 0.000 0.845 53 E CB -0.855 28.907 29.700 0.103 0.000 0.782 53 E HN 0.026 nan 8.360 nan 0.000 0.491 54 A N 2.062 124.840 122.820 -0.070 0.000 2.524 54 A HA 0.109 4.429 4.320 -0.000 0.000 0.250 54 A C -0.060 177.422 177.584 -0.170 0.000 1.078 54 A CA -0.069 51.786 52.037 -0.302 0.000 0.761 54 A CB 0.057 18.733 19.000 -0.540 0.000 1.012 54 A HN 0.133 nan 8.150 nan 0.000 0.500 55 K N 3.269 123.580 120.400 -0.150 0.000 2.253 55 K HA 0.474 4.794 4.320 -0.000 0.000 0.277 55 K C -1.056 175.504 176.600 -0.068 0.000 1.053 55 K CA 0.046 56.294 56.287 -0.065 0.000 0.892 55 K CB 1.200 33.693 32.500 -0.010 0.000 1.102 55 K HN 0.620 nan 8.250 nan 0.000 0.469 56 I N 3.754 124.291 120.570 -0.054 0.000 2.392 56 I HA 0.338 4.508 4.170 -0.000 0.000 0.295 56 I C -0.667 175.432 176.117 -0.030 0.000 0.985 56 I CA -1.109 60.160 61.300 -0.052 0.000 1.221 56 I CB 1.166 39.132 38.000 -0.057 0.000 1.366 56 I HN 0.340 nan 8.210 nan 0.000 0.467 57 L N 7.045 128.246 121.223 -0.038 0.000 2.431 57 L HA 0.605 4.945 4.340 -0.000 0.000 0.266 57 L C -1.539 175.271 176.870 -0.099 0.000 0.978 57 L CA -0.391 54.423 54.840 -0.043 0.000 0.822 57 L CB 2.040 44.099 42.059 0.001 0.000 1.310 57 L HN 0.531 nan 8.230 nan 0.000 0.409 58 L N 5.759 126.918 121.223 -0.106 0.000 2.341 58 L HA 0.851 5.191 4.340 -0.000 0.000 0.278 58 L C -1.014 175.750 176.870 -0.176 0.000 1.005 58 L CA -0.732 54.023 54.840 -0.141 0.000 0.818 58 L CB 1.822 43.820 42.059 -0.102 0.000 1.259 58 L HN 0.561 nan 8.230 nan 0.000 0.418 59 V N 0.801 120.567 119.914 -0.247 0.000 2.628 59 V HA 0.742 4.862 4.120 -0.000 0.000 0.306 59 V C -1.178 174.781 176.094 -0.225 0.000 1.045 59 V CA -0.471 61.668 62.300 -0.269 0.000 0.905 59 V CB 1.808 33.369 31.823 -0.437 0.000 0.997 59 V HN 0.838 nan 8.190 nan 0.000 0.436 60 D N 1.590 121.876 120.400 -0.190 0.000 2.857 60 D HA 0.377 5.017 4.640 -0.000 0.000 0.227 60 D C 0.707 176.917 176.300 -0.150 0.000 1.192 60 D CA -0.359 53.542 54.000 -0.164 0.000 0.857 60 D CB 2.467 43.184 40.800 -0.138 0.000 1.645 60 D HN 0.789 nan 8.370 nan 0.000 0.482 61 K N 1.534 121.859 120.400 -0.125 0.000 2.365 61 K HA 0.281 4.601 4.320 -0.000 0.000 0.199 61 K C 0.450 176.981 176.600 -0.115 0.000 1.045 61 K CA 0.395 56.635 56.287 -0.077 0.000 0.962 61 K CB 0.366 32.908 32.500 0.070 0.000 0.759 61 K HN 0.209 nan 8.250 nan 0.000 0.469 62 A N 1.290 124.016 122.820 -0.156 0.000 3.458 62 A HA 0.484 4.804 4.320 -0.000 0.000 0.205 62 A C -0.798 176.694 177.584 -0.152 0.000 1.060 62 A CA -0.401 51.526 52.037 -0.183 0.000 0.829 62 A CB 0.696 19.522 19.000 -0.289 0.000 1.419 62 A HN 0.293 nan 8.150 nan 0.000 0.644 63 S N -0.583 115.023 115.700 -0.157 0.000 2.480 63 S HA 0.440 4.910 4.470 -0.000 0.000 0.286 63 S C 0.633 175.160 174.600 -0.122 0.000 1.180 63 S CA -0.472 57.655 58.200 -0.122 0.000 1.075 63 S CB 1.150 64.287 63.200 -0.104 0.000 0.996 63 S HN 0.724 nan 8.310 nan 0.000 0.487 64 L N 2.350 123.513 121.223 -0.100 0.000 2.042 64 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 64 L C 2.671 179.491 176.870 -0.084 0.000 1.076 64 L CA 2.032 56.817 54.840 -0.091 0.000 0.749 64 L CB -0.737 41.276 42.059 -0.076 0.000 0.893 64 L HN 1.025 nan 8.230 nan 0.000 0.432 65 E N -0.966 119.188 120.200 -0.076 0.000 2.187 65 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 65 E C 1.242 177.800 176.600 -0.069 0.000 1.004 65 E CA 1.143 57.504 56.400 -0.065 0.000 0.813 65 E CB 0.166 29.833 29.700 -0.056 0.000 0.736 65 E HN 0.338 nan 8.360 nan 0.000 0.468 66 R N 0.034 120.481 120.500 -0.089 0.000 2.539 66 R HA 0.103 4.443 4.340 -0.000 0.000 0.342 66 R C 0.169 176.396 176.300 -0.121 0.000 0.941 66 R CA 0.415 56.461 56.100 -0.089 0.000 1.146 66 R CB 0.923 31.172 30.300 -0.085 0.000 1.541 66 R HN 0.063 nan 8.270 nan 0.000 0.525 67 S N -0.093 115.519 115.700 -0.146 0.000 2.579 67 S HA 0.534 5.004 4.470 -0.000 0.000 0.275 67 S C 0.865 175.416 174.600 -0.083 0.000 1.345 67 S CA 0.465 58.551 58.200 -0.189 0.000 1.031 67 S CB 1.532 64.620 63.200 -0.187 0.000 0.892 67 S HN 0.513 nan 8.310 nan 0.000 0.529 68 G N 1.303 110.108 108.800 0.009 0.000 2.615 68 G HA2 0.166 4.126 3.960 -0.000 0.000 0.218 68 G HA3 0.166 4.126 3.960 -0.000 0.000 0.218 68 G C 0.663 175.685 174.900 0.203 0.000 1.339 68 G CA 0.002 45.205 45.100 0.171 0.000 0.884 68 G HN 1.791 nan 8.290 nan 0.000 0.559 69 A N -1.227 121.567 122.820 -0.043 0.000 2.067 69 A HA 0.327 4.647 4.320 -0.000 0.000 0.219 69 A C 2.128 179.630 177.584 -0.136 0.000 1.158 69 A CA 2.647 54.548 52.037 -0.227 0.000 0.661 69 A CB -0.212 18.555 19.000 -0.390 0.000 0.801 69 A HN 1.637 nan 8.150 nan 0.000 0.452 70 V N -0.304 119.555 119.914 -0.092 0.000 3.415 70 V HA 0.194 4.314 4.120 -0.000 0.000 0.325 70 V C 2.117 178.190 176.094 -0.034 0.000 1.313 70 V CA 0.469 62.712 62.300 -0.095 0.000 1.228 70 V CB -0.915 30.761 31.823 -0.246 0.000 1.131 70 V HN 0.534 nan 8.190 nan 0.000 0.433 71 A N 0.354 123.190 122.820 0.028 0.000 1.933 71 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 71 A C 2.182 179.799 177.584 0.055 0.000 1.175 71 A CA 1.510 53.585 52.037 0.063 0.000 0.628 71 A CB -0.197 18.918 19.000 0.193 0.000 0.814 71 A HN 0.597 nan 8.150 nan 0.000 0.444 72 Q N -1.273 118.558 119.800 0.053 0.000 2.311 72 Q HA 0.332 4.672 4.340 -0.000 0.000 0.203 72 Q C 1.029 177.068 176.000 0.065 0.000 0.954 72 Q CA 0.371 56.207 55.803 0.056 0.000 0.885 72 Q CB -0.029 28.738 28.738 0.047 0.000 0.963 72 Q HN 0.809 nan 8.270 nan 0.000 0.471 73 G N 0.414 109.251 108.800 0.062 0.000 2.566 73 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.599 73 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.599 73 G C -1.427 173.550 174.900 0.128 0.000 1.292 73 G CA -0.965 44.200 45.100 0.108 0.000 0.922 73 G HN 0.100 nan 8.290 nan 0.000 0.514 74 L N -0.140 121.203 121.223 0.200 0.000 2.409 74 L HA 0.601 4.941 4.340 -0.000 0.000 0.262 74 L C 1.429 178.353 176.870 0.090 0.000 0.992 74 L CA -0.272 54.671 54.840 0.171 0.000 0.817 74 L CB 2.302 44.522 42.059 0.268 0.000 1.350 74 L HN 1.065 nan 8.230 nan 0.000 0.411 75 S N 0.315 116.043 115.700 0.048 0.000 2.558 75 S HA 0.454 4.924 4.470 -0.000 0.000 0.217 75 S C 0.377 174.907 174.600 -0.118 0.000 0.975 75 S CA 0.275 58.457 58.200 -0.030 0.000 0.912 75 S CB 0.300 63.474 63.200 -0.043 0.000 0.776 75 S HN 0.696 nan 8.310 nan 0.000 0.526 76 A N 0.396 123.168 122.820 -0.080 0.000 2.604 76 A HA 0.711 5.031 4.320 -0.000 0.000 0.295 76 A C -1.241 176.297 177.584 -0.076 0.000 1.067 76 A CA -0.804 51.156 52.037 -0.128 0.000 0.683 76 A CB 0.885 19.801 19.000 -0.139 0.000 1.281 76 A HN 0.356 nan 8.150 nan 0.000 0.407 77 I N 2.338 122.847 120.570 -0.102 0.000 2.312 77 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 77 I C 0.347 176.438 176.117 -0.043 0.000 1.008 77 I CA -0.570 60.718 61.300 -0.020 0.000 1.226 77 I CB 1.434 39.429 38.000 -0.009 0.000 1.371 77 I HN 0.680 nan 8.210 nan 0.000 0.468 78 N N 3.353 121.980 118.700 -0.122 0.000 2.463 78 N HA 0.019 4.759 4.740 -0.000 0.000 0.181 78 N C -0.128 175.325 175.510 -0.095 0.000 1.078 78 N CA 0.545 53.373 53.050 -0.370 0.000 0.902 78 N CB 0.341 38.008 38.487 -1.367 0.000 0.970 78 N HN 0.474 nan 8.380 nan 0.000 0.451 79 T N 0.462 115.089 114.554 0.123 0.000 2.912 79 T HA 0.252 4.602 4.350 -0.000 0.000 0.326 79 T C -1.365 173.435 174.700 0.167 0.000 1.080 79 T CA -0.373 61.826 62.100 0.166 0.000 1.000 79 T CB 0.701 69.683 68.868 0.190 0.000 1.008 79 T HN 0.046 nan 8.240 nan 0.000 0.473 80 Y N 3.641 123.960 120.300 0.030 0.000 2.307 80 Y HA 0.395 4.945 4.550 -0.000 0.000 0.323 80 Y C -0.442 175.483 175.900 0.041 0.000 1.100 80 Y CA -1.058 57.033 58.100 -0.014 0.000 1.140 80 Y CB 0.673 39.109 38.460 -0.040 0.000 1.159 80 Y HN 0.364 nan 8.280 nan 0.000 0.436 81 L N 4.469 125.479 121.223 -0.355 0.000 2.022 81 L HA 0.239 4.579 4.340 -0.000 0.000 0.204 81 L C 2.044 178.751 176.870 -0.272 0.000 1.076 81 L CA 2.287 57.036 54.840 -0.151 0.000 0.749 81 L CB -1.112 40.858 42.059 -0.148 0.000 0.903 81 L HN 1.034 nan 8.230 nan 0.000 0.439 82 G N -0.508 107.979 108.800 -0.522 0.000 2.815 82 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.326 82 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.326 82 G C 1.102 175.931 174.900 -0.118 0.000 1.191 82 G CA 0.735 45.665 45.100 -0.283 0.000 0.965 82 G HN 0.302 nan 8.290 nan 0.000 0.564 83 D N 2.221 122.580 120.400 -0.069 0.000 2.103 83 D HA 0.013 4.653 4.640 -0.000 0.000 0.199 83 D C 1.567 177.831 176.300 -0.061 0.000 0.978 83 D CA 1.129 55.096 54.000 -0.056 0.000 0.829 83 D CB -0.397 40.372 40.800 -0.051 0.000 0.981 83 D HN 0.763 nan 8.370 nan 0.000 0.464 84 N N 1.449 120.096 118.700 -0.089 0.000 2.424 84 N HA 0.070 4.810 4.740 -0.000 0.000 0.257 84 N C -0.225 175.321 175.510 0.061 0.000 1.250 84 N CA -0.483 52.544 53.050 -0.038 0.000 0.946 84 N CB 0.431 38.825 38.487 -0.156 0.000 1.175 84 N HN 0.036 nan 8.380 nan 0.000 0.477 85 N N -1.159 117.614 118.700 0.121 0.000 2.476 85 N HA 0.350 5.090 4.740 -0.000 0.000 0.275 85 N C 0.444 176.047 175.510 0.155 0.000 1.190 85 N CA -0.834 52.276 53.050 0.101 0.000 0.977 85 N CB 0.900 39.442 38.487 0.092 0.000 1.200 85 N HN 0.640 nan 8.380 nan 0.000 0.515 86 A N 0.085 122.900 122.820 -0.009 0.000 2.121 86 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 86 A C 0.941 178.600 177.584 0.125 0.000 1.154 86 A CA 1.381 53.354 52.037 -0.107 0.000 0.679 86 A CB -0.870 17.672 19.000 -0.763 0.000 0.795 86 A HN 0.835 nan 8.150 nan 0.000 0.458 87 D N 0.210 120.759 120.400 0.248 0.000 2.097 87 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 87 D C 1.244 177.661 176.300 0.195 0.000 0.984 87 D CA 1.251 55.405 54.000 0.258 0.000 0.826 87 D CB -0.220 40.698 40.800 0.196 0.000 0.973 87 D HN 0.282 nan 8.370 nan 0.000 0.460 88 D N -0.587 119.962 120.400 0.250 0.000 2.144 88 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 88 D C 1.727 178.187 176.300 0.266 0.000 0.984 88 D CA 0.649 54.852 54.000 0.338 0.000 0.834 88 D CB -0.295 40.804 40.800 0.499 0.000 0.955 88 D HN 0.214 nan 8.370 nan 0.000 0.465 89 Y N 1.638 121.871 120.300 -0.111 0.000 2.097 89 Y HA -0.232 4.318 4.550 0.000 0.000 0.282 89 Y C 2.196 177.871 175.900 -0.376 0.000 1.152 89 Y CA 1.046 58.719 58.100 -0.711 0.000 1.136 89 Y CB -0.654 37.455 38.460 -0.585 0.000 0.975 89 Y HN -0.185 nan 8.280 nan 0.000 0.498 90 V N 0.998 120.758 119.914 -0.257 0.000 2.332 90 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 90 V C 2.547 178.551 176.094 -0.150 0.000 1.055 90 V CA 2.280 64.440 62.300 -0.232 0.000 1.038 90 V CB -0.694 31.140 31.823 0.019 0.000 0.651 90 V HN 0.334 nan 8.190 nan 0.000 0.450 91 R N -0.138 120.334 120.500 -0.047 0.000 2.105 91 R HA -0.229 4.111 4.340 -0.000 0.000 0.239 91 R C 2.331 178.609 176.300 -0.036 0.000 1.135 91 R CA 2.183 58.284 56.100 0.002 0.000 0.967 91 R CB -0.371 29.971 30.300 0.071 0.000 0.861 91 R HN 0.711 nan 8.270 nan 0.000 0.442 92 M N -1.038 118.509 119.600 -0.089 0.000 2.236 92 M HA 0.002 4.482 4.480 -0.000 0.000 0.266 92 M C 1.797 177.941 176.300 -0.259 0.000 1.070 92 M CA 1.550 56.789 55.300 -0.101 0.000 1.137 92 M CB -0.389 32.208 32.600 -0.005 0.000 1.378 92 M HN -0.205 nan 8.290 nan 0.000 0.426 93 V N 0.961 120.617 119.914 -0.429 0.000 2.295 93 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 93 V C 2.815 178.764 176.094 -0.242 0.000 1.049 93 V CA 2.369 64.357 62.300 -0.520 0.000 1.024 93 V CB -1.044 30.430 31.823 -0.582 0.000 0.648 93 V HN 0.635 nan 8.190 nan 0.000 0.447 94 R N 0.050 120.466 120.500 -0.141 0.000 2.083 94 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 94 R C 2.389 178.688 176.300 -0.001 0.000 1.137 94 R CA 2.255 58.339 56.100 -0.026 0.000 0.951 94 R CB -0.580 29.730 30.300 0.016 0.000 0.851 94 R HN 0.556 nan 8.270 nan 0.000 0.434 95 T N 0.296 114.838 114.554 -0.019 0.000 2.684 95 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 95 T C 1.302 176.021 174.700 0.031 0.000 1.036 95 T CA 1.876 63.986 62.100 0.018 0.000 1.148 95 T CB -0.419 68.458 68.868 0.015 0.000 0.863 95 T HN 0.400 nan 8.240 nan 0.000 0.436 96 D N 0.553 120.939 120.400 -0.023 0.000 2.149 96 D HA 0.028 4.668 4.640 -0.000 0.000 0.201 96 D C 1.216 177.565 176.300 0.081 0.000 0.972 96 D CA 0.583 54.591 54.000 0.013 0.000 0.835 96 D CB -0.100 40.671 40.800 -0.048 0.000 0.966 96 D HN 0.293 nan 8.370 nan 0.000 0.476 97 L N 0.221 121.499 121.223 0.091 0.000 2.783 97 L HA 0.213 4.553 4.340 -0.000 0.000 0.236 97 L C 0.121 177.140 176.870 0.247 0.000 1.225 97 L CA -0.207 54.752 54.840 0.198 0.000 1.026 97 L CB -0.006 42.157 42.059 0.175 0.000 1.314 97 L HN 0.065 nan 8.230 nan 0.000 0.489 98 M N 0.103 119.794 119.600 0.151 0.000 2.751 98 M HA -0.230 4.250 4.480 -0.000 0.000 0.199 98 M C 1.185 177.583 176.300 0.164 0.000 0.550 98 M CA 1.032 56.388 55.300 0.094 0.000 0.640 98 M CB -2.531 29.983 32.600 -0.144 0.000 2.351 98 M HN 0.623 nan 8.290 nan 0.000 0.613 99 G N -0.048 108.835 108.800 0.138 0.000 2.159 99 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 99 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 99 G C 0.067 174.878 174.900 -0.148 0.000 0.977 99 G CA 0.364 45.488 45.100 0.041 0.000 0.652 99 G HN 0.509 nan 8.290 nan 0.000 0.531 100 L N 1.152 122.348 121.223 -0.046 0.000 2.387 100 L HA 0.625 4.965 4.340 -0.000 0.000 0.259 100 L C 0.265 177.288 176.870 0.256 0.000 1.050 100 L CA -1.018 53.777 54.840 -0.075 0.000 0.922 100 L CB 1.249 43.310 42.059 0.003 0.000 1.280 100 L HN 0.251 nan 8.230 nan 0.000 0.449 101 V N -0.823 119.291 119.914 0.333 0.000 3.007 101 V HA 0.573 4.693 4.120 -0.000 0.000 0.311 101 V C -0.214 176.246 176.094 0.610 0.000 1.120 101 V CA -1.104 61.450 62.300 0.424 0.000 0.980 101 V CB 2.351 34.294 31.823 0.200 0.000 1.033 101 V HN 0.494 nan 8.190 nan 0.000 0.429 102 R N 1.863 122.505 120.500 0.237 0.000 2.325 102 R HA 0.274 4.614 4.340 -0.000 0.000 0.323 102 R C 0.726 177.121 176.300 0.158 0.000 1.177 102 R CA 0.120 56.240 56.100 0.034 0.000 1.018 102 R CB 0.594 30.614 30.300 -0.467 0.000 1.070 102 R HN 0.889 nan 8.270 nan 0.000 0.495 103 E N 1.172 121.589 120.200 0.361 0.000 2.204 103 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 103 E C 1.162 177.974 176.600 0.354 0.000 0.989 103 E CA 1.179 57.769 56.400 0.317 0.000 0.824 103 E CB 0.259 30.167 29.700 0.347 0.000 0.756 103 E HN 0.577 nan 8.360 nan 0.000 0.477 104 D N 1.145 121.786 120.400 0.402 0.000 2.144 104 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 104 D C 1.984 178.511 176.300 0.380 0.000 0.978 104 D CA 0.813 55.107 54.000 0.490 0.000 0.833 104 D CB -0.387 40.567 40.800 0.258 0.000 0.961 104 D HN 0.248 nan 8.370 nan 0.000 0.470 105 L N 0.090 121.410 121.223 0.162 0.000 2.109 105 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 105 L C 2.771 179.733 176.870 0.153 0.000 1.086 105 L CA 0.631 55.529 54.840 0.097 0.000 0.760 105 L CB -0.281 41.741 42.059 -0.063 0.000 0.910 105 L HN -0.047 nan 8.230 nan 0.000 0.437 106 I N -1.598 119.051 120.570 0.132 0.000 2.315 106 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 106 I C 2.501 178.741 176.117 0.206 0.000 1.117 106 I CA 1.332 62.677 61.300 0.075 0.000 1.404 106 I CB -0.353 37.571 38.000 -0.126 0.000 1.071 106 I HN 0.147 nan 8.210 nan 0.000 0.419 107 Y N 1.818 122.219 120.300 0.167 0.000 2.133 107 Y HA -0.314 4.236 4.550 -0.000 0.000 0.287 107 Y C 2.358 178.374 175.900 0.192 0.000 1.134 107 Y CA 2.077 60.271 58.100 0.157 0.000 1.133 107 Y CB -0.219 38.275 38.460 0.057 0.000 0.987 107 Y HN 0.145 nan 8.280 nan 0.000 0.502 108 D N 0.089 120.795 120.400 0.510 0.000 2.116 108 D HA -0.224 4.416 4.640 -0.000 0.000 0.193 108 D C 2.260 178.760 176.300 0.333 0.000 0.998 108 D CA 1.278 55.555 54.000 0.461 0.000 0.836 108 D CB -0.466 40.631 40.800 0.495 0.000 0.951 108 D HN 0.371 nan 8.370 nan 0.000 0.449 109 L N 0.224 121.610 121.223 0.273 0.000 2.079 109 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 109 L C 2.252 179.205 176.870 0.139 0.000 1.081 109 L CA 2.045 57.025 54.840 0.232 0.000 0.752 109 L CB -1.354 40.844 42.059 0.230 0.000 0.896 109 L HN 0.224 nan 8.230 nan 0.000 0.433 110 G N 0.592 109.435 108.800 0.071 0.000 2.421 110 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 110 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 110 G C 1.450 176.200 174.900 -0.251 0.000 1.171 110 G CA 0.797 45.797 45.100 -0.168 0.000 0.775 110 G HN 0.544 nan 8.290 nan 0.000 0.543 111 R N -0.537 119.780 120.500 -0.304 0.000 2.316 111 R HA 0.159 4.498 4.340 -0.000 0.000 0.202 111 R C 1.745 177.830 176.300 -0.358 0.000 1.029 111 R CA 1.169 57.061 56.100 -0.348 0.000 1.018 111 R CB -0.408 29.669 30.300 -0.373 0.000 0.888 111 R HN 0.407 nan 8.270 nan 0.000 0.471 112 H N -0.816 118.229 119.070 -0.042 0.000 2.695 112 H HA 0.151 4.707 4.556 -0.000 0.000 0.267 112 H C 1.887 177.199 175.328 -0.026 0.000 0.973 112 H CA 0.632 56.681 56.048 0.002 0.000 1.223 112 H CB 0.108 29.901 29.762 0.051 0.000 1.442 112 H HN 0.078 nan 8.280 nan 0.000 0.478 113 V N 1.927 121.869 119.914 0.047 0.000 2.324 113 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 113 V C 1.357 177.409 176.094 -0.070 0.000 1.060 113 V CA 2.409 64.711 62.300 0.003 0.000 1.042 113 V CB -0.250 31.540 31.823 -0.055 0.000 0.650 113 V HN 0.242 nan 8.190 nan 0.000 0.450 114 D N -0.581 119.719 120.400 -0.167 0.000 2.219 114 D HA -0.138 4.502 4.640 -0.000 0.000 0.205 114 D C 1.819 177.970 176.300 -0.248 0.000 0.970 114 D CA 1.394 55.219 54.000 -0.291 0.000 0.851 114 D CB -0.255 40.283 40.800 -0.436 0.000 0.943 114 D HN 0.647 nan 8.370 nan 0.000 0.488 115 D N -0.830 119.527 120.400 -0.070 0.000 2.178 115 D HA -0.060 4.580 4.640 -0.000 0.000 0.202 115 D C 1.775 177.980 176.300 -0.158 0.000 0.974 115 D CA 0.858 54.870 54.000 0.019 0.000 0.841 115 D CB 0.199 41.056 40.800 0.095 0.000 0.953 115 D HN -0.060 nan 8.370 nan 0.000 0.478 116 S N -1.016 114.525 115.700 -0.266 0.000 2.371 116 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 116 S C 2.155 176.013 174.600 -1.236 0.000 1.029 116 S CA 0.706 58.490 58.200 -0.693 0.000 0.978 116 S CB -0.116 62.820 63.200 -0.440 0.000 0.833 116 S HN 0.152 nan 8.310 nan 0.000 0.466 117 V N 1.634 121.171 119.914 -0.628 0.000 2.343 117 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 117 V C 1.955 177.854 176.094 -0.325 0.000 1.051 117 V CA 1.866 63.963 62.300 -0.337 0.000 1.036 117 V CB -0.983 30.831 31.823 -0.015 0.000 0.654 117 V HN 0.565 nan 8.190 nan 0.000 0.451 118 H N -0.411 118.532 119.070 -0.212 0.000 2.387 118 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 118 H C 2.275 177.388 175.328 -0.359 0.000 1.090 118 H CA 1.536 57.469 56.048 -0.191 0.000 1.332 118 H CB -0.110 29.584 29.762 -0.113 0.000 1.386 118 H HN 0.289 nan 8.280 nan 0.000 0.516 119 L N -0.326 120.589 121.223 -0.514 0.000 2.056 119 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 119 L C 1.943 178.094 176.870 -1.197 0.000 1.078 119 L CA 1.070 55.303 54.840 -1.012 0.000 0.749 119 L CB -0.424 40.832 42.059 -1.337 0.000 0.901 119 L HN 0.309 nan 8.230 nan 0.000 0.433 120 F N 0.029 119.523 119.950 -0.759 0.000 2.095 120 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 120 F C 2.736 178.431 175.800 -0.174 0.000 1.104 120 F CA 1.278 59.057 58.000 -0.368 0.000 1.232 120 F CB -0.253 38.628 39.000 -0.198 0.000 0.987 120 F HN 0.172 nan 8.300 nan 0.000 0.475 121 E N 0.708 120.912 120.200 0.007 0.000 2.077 121 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 121 E C 2.126 178.738 176.600 0.020 0.000 0.989 121 E CA 1.166 57.575 56.400 0.014 0.000 0.800 121 E CB -0.172 29.527 29.700 -0.001 0.000 0.746 121 E HN 0.472 nan 8.360 nan 0.000 0.452 122 E N -0.379 119.792 120.200 -0.049 0.000 2.110 122 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 122 E C 1.628 178.323 176.600 0.157 0.000 0.988 122 E CA 1.008 57.409 56.400 0.002 0.000 0.804 122 E CB -0.075 29.581 29.700 -0.073 0.000 0.745 122 E HN 0.410 nan 8.360 nan 0.000 0.458 123 W N -0.269 121.070 121.300 0.066 0.000 2.425 123 W HA 0.105 4.765 4.660 -0.000 0.000 0.277 123 W C 1.514 178.065 176.519 0.054 0.000 1.231 123 W CA 1.464 58.847 57.345 0.063 0.000 1.248 123 W CB -0.241 29.267 29.460 0.079 0.000 1.117 123 W HN 0.371 nan 8.180 nan 0.000 0.568 124 G N -0.965 107.989 108.800 0.255 0.000 2.276 124 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.177 124 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.177 124 G C -0.782 174.186 174.900 0.113 0.000 1.017 124 G CA -0.583 44.608 45.100 0.151 0.000 0.750 124 G HN 0.037 nan 8.290 nan 0.000 0.506 125 L N 2.527 123.821 121.223 0.119 0.000 2.315 125 L HA 0.601 4.941 4.340 -0.000 0.000 0.283 125 L C -2.022 174.857 176.870 0.015 0.000 1.089 125 L CA -1.995 52.875 54.840 0.050 0.000 0.833 125 L CB 0.416 42.477 42.059 0.003 0.000 1.170 125 L HN -0.116 nan 8.230 nan 0.000 0.442 126 P HA 0.079 nan 4.420 nan 0.000 0.265 126 P C -1.153 176.168 177.300 0.035 0.000 1.222 126 P CA 0.097 63.200 63.100 0.006 0.000 0.767 126 P CB 0.579 32.281 31.700 0.003 0.000 0.801 127 V N 4.905 124.836 119.914 0.029 0.000 2.459 127 V HA 0.310 4.430 4.120 -0.000 0.000 0.295 127 V C -0.241 175.930 176.094 0.128 0.000 1.029 127 V CA -0.701 61.642 62.300 0.071 0.000 0.874 127 V CB 1.050 32.859 31.823 -0.023 0.000 0.985 127 V HN 0.487 nan 8.190 nan 0.000 0.438 128 W N 5.007 126.249 121.300 -0.096 0.000 2.216 128 W HA 0.574 5.234 4.660 0.000 0.000 0.326 128 W C -0.197 176.280 176.519 -0.070 0.000 1.319 128 W CA -0.127 57.177 57.345 -0.069 0.000 1.213 128 W CB 0.175 29.596 29.460 -0.066 0.000 1.171 128 W HN 0.294 nan 8.180 nan 0.000 0.557 129 I N 3.583 124.225 120.570 0.120 0.000 2.647 129 I HA 0.196 4.366 4.170 -0.000 0.000 0.295 129 I C 0.030 176.190 176.117 0.073 0.000 1.078 129 I CA -1.256 60.085 61.300 0.067 0.000 1.048 129 I CB 1.513 39.525 38.000 0.020 0.000 1.239 129 I HN 0.045 nan 8.210 nan 0.000 0.421 130 K N 3.433 123.873 120.400 0.066 0.000 2.237 130 K HA 0.215 4.535 4.320 -0.000 0.000 0.270 130 K C -0.615 176.018 176.600 0.055 0.000 1.015 130 K CA -0.359 55.968 56.287 0.067 0.000 0.949 130 K CB 0.794 33.322 32.500 0.048 0.000 0.976 130 K HN 0.674 nan 8.250 nan 0.000 0.472 131 D N 0.580 121.026 120.400 0.076 0.000 2.478 131 D HA 0.034 4.674 4.640 -0.000 0.000 0.274 131 D C 0.624 176.963 176.300 0.066 0.000 1.234 131 D CA -0.221 53.823 54.000 0.073 0.000 1.069 131 D CB 0.333 41.192 40.800 0.099 0.000 1.113 131 D HN 0.315 nan 8.370 nan 0.000 0.571 132 E N -1.313 118.917 120.200 0.051 0.000 2.072 132 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 132 E C 1.867 178.442 176.600 -0.041 0.000 0.985 132 E CA 1.390 57.778 56.400 -0.021 0.000 0.801 132 E CB -0.436 29.215 29.700 -0.081 0.000 0.750 132 E HN 0.501 nan 8.360 nan 0.000 0.452 133 H N -0.968 118.128 119.070 0.044 0.000 2.299 133 H HA 0.099 4.655 4.556 -0.000 0.000 0.302 133 H C 1.192 176.563 175.328 0.072 0.000 1.078 133 H CA 1.698 57.790 56.048 0.072 0.000 1.323 133 H CB 0.150 29.983 29.762 0.119 0.000 1.381 133 H HN 0.329 nan 8.280 nan 0.000 0.498 134 G N -0.881 108.045 108.800 0.210 0.000 2.165 134 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.144 134 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.144 134 G C -0.584 174.308 174.900 -0.014 0.000 1.049 134 G CA -0.595 44.547 45.100 0.069 0.000 0.741 134 G HN 0.382 nan 8.290 nan 0.000 0.493 135 H N 0.364 119.463 119.070 0.048 0.000 2.567 135 H HA 0.377 4.933 4.556 -0.000 0.000 0.345 135 H C -0.169 175.191 175.328 0.054 0.000 1.169 135 H CA -0.704 55.359 56.048 0.025 0.000 1.227 135 H CB 1.278 31.023 29.762 -0.028 0.000 1.607 135 H HN 0.134 nan 8.280 nan 0.000 0.534 136 N N 1.948 120.774 118.700 0.211 0.000 2.488 136 N HA 0.185 4.925 4.740 -0.000 0.000 0.274 136 N C -0.448 175.136 175.510 0.124 0.000 1.111 136 N CA -0.102 53.098 53.050 0.250 0.000 0.974 136 N CB 1.329 40.091 38.487 0.459 0.000 1.089 136 N HN 0.315 nan 8.380 nan 0.000 0.465 137 L N 1.437 122.662 121.223 0.002 0.000 2.362 137 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 137 L C 0.300 176.848 176.870 -0.537 0.000 0.998 137 L CA -1.193 53.534 54.840 -0.188 0.000 0.820 137 L CB 1.698 43.699 42.059 -0.097 0.000 1.270 137 L HN 0.543 nan 8.230 nan 0.000 0.415 138 D N 1.487 121.415 120.400 -0.788 0.000 2.372 138 D HA 0.085 4.725 4.640 -0.000 0.000 0.243 138 D C 1.293 177.259 176.300 -0.557 0.000 1.297 138 D CA -0.001 53.332 54.000 -1.113 0.000 0.958 138 D CB 0.777 41.083 40.800 -0.822 0.000 1.114 138 D HN 0.538 nan 8.370 nan 0.000 0.496 139 G N -0.960 107.592 108.800 -0.415 0.000 2.422 139 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 139 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 139 G C 1.467 176.294 174.900 -0.122 0.000 1.146 139 G CA 0.902 45.900 45.100 -0.172 0.000 0.769 139 G HN 0.641 nan 8.290 nan 0.000 0.547 140 A N 0.880 123.622 122.820 -0.130 0.000 1.929 140 A HA 0.003 4.322 4.320 -0.000 0.000 0.216 140 A C 2.337 179.869 177.584 -0.086 0.000 1.176 140 A CA 1.791 53.778 52.037 -0.085 0.000 0.628 140 A CB -0.328 18.628 19.000 -0.072 0.000 0.816 140 A HN 0.572 nan 8.150 nan 0.000 0.444 141 Q N -1.254 118.473 119.800 -0.122 0.000 2.398 141 Q HA 0.313 4.653 4.340 -0.000 0.000 0.204 141 Q C 1.827 177.775 176.000 -0.087 0.000 0.932 141 Q CA 0.890 56.633 55.803 -0.100 0.000 0.916 141 Q CB -0.226 28.446 28.738 -0.110 0.000 1.024 141 Q HN 0.423 nan 8.270 nan 0.000 0.504 142 A N 2.119 124.878 122.820 -0.102 0.000 1.898 142 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 142 A C 2.117 179.675 177.584 -0.043 0.000 1.183 142 A CA 1.332 53.328 52.037 -0.068 0.000 0.622 142 A CB -0.373 18.583 19.000 -0.072 0.000 0.824 142 A HN 0.337 nan 8.150 nan 0.000 0.444 143 K N -0.047 120.326 120.400 -0.044 0.000 2.057 143 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 143 K C 1.976 178.563 176.600 -0.022 0.000 1.049 143 K CA 1.283 57.554 56.287 -0.026 0.000 0.931 143 K CB -0.319 32.168 32.500 -0.021 0.000 0.714 143 K HN 0.332 nan 8.250 nan 0.000 0.440 144 A N 0.423 123.225 122.820 -0.030 0.000 2.121 144 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 144 A C 1.981 179.552 177.584 -0.022 0.000 1.154 144 A CA 1.448 53.470 52.037 -0.025 0.000 0.679 144 A CB -0.403 18.580 19.000 -0.030 0.000 0.795 144 A HN 0.448 nan 8.150 nan 0.000 0.458 145 A N -1.796 121.009 122.820 -0.024 0.000 2.275 145 A HA 0.442 4.762 4.320 -0.000 0.000 0.212 145 A C 1.660 179.237 177.584 -0.012 0.000 1.201 145 A CA 1.009 53.035 52.037 -0.018 0.000 0.843 145 A CB -0.792 18.197 19.000 -0.019 0.000 0.873 145 A HN 1.767 nan 8.150 nan 0.000 0.492 146 G N -0.690 108.102 108.800 -0.012 0.000 2.143 146 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 146 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 146 G C 0.046 174.941 174.900 -0.007 0.000 0.991 146 G CA 0.692 45.787 45.100 -0.008 0.000 0.689 146 G HN 0.519 nan 8.290 nan 0.000 0.522 147 K N 0.572 120.967 120.400 -0.009 0.000 2.138 147 K HA 0.786 5.106 4.320 -0.000 0.000 0.263 147 K C 0.252 176.849 176.600 -0.005 0.000 0.965 147 K CA 0.257 56.541 56.287 -0.005 0.000 0.868 147 K CB 1.873 34.371 32.500 -0.004 0.000 1.083 147 K HN 0.693 nan 8.250 nan 0.000 0.443 148 S N 0.677 116.378 115.700 0.001 0.000 2.587 148 S HA 0.307 4.777 4.470 -0.000 0.000 0.269 148 S C 0.307 174.918 174.600 0.018 0.000 1.154 148 S CA -0.953 57.249 58.200 0.005 0.000 0.824 148 S CB 0.379 63.581 63.200 0.004 0.000 1.118 148 S HN 0.401 nan 8.310 nan 0.000 0.462 149 L N 0.816 122.059 121.223 0.034 0.000 2.083 149 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 149 L C 2.834 179.765 176.870 0.103 0.000 1.083 149 L CA 1.046 55.941 54.840 0.093 0.000 0.752 149 L CB -0.405 41.724 42.059 0.116 0.000 0.899 149 L HN 0.680 nan 8.230 nan 0.000 0.433 150 R N -0.314 120.205 120.500 0.032 0.000 2.092 150 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 150 R C 1.722 177.983 176.300 -0.063 0.000 1.119 150 R CA 1.394 57.441 56.100 -0.088 0.000 0.970 150 R CB -0.688 29.564 30.300 -0.080 0.000 0.864 150 R HN 0.463 nan 8.270 nan 0.000 0.440 151 N N 0.077 118.764 118.700 -0.022 0.000 2.512 151 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 151 N C 0.056 175.563 175.510 -0.004 0.000 1.073 151 N CA 0.502 53.543 53.050 -0.015 0.000 0.911 151 N CB 0.208 38.691 38.487 -0.007 0.000 0.964 151 N HN 0.328 nan 8.380 nan 0.000 0.447 152 G N 1.002 109.810 108.800 0.014 0.000 2.422 152 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.290 152 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.290 152 G C -0.303 174.616 174.900 0.032 0.000 1.059 152 G CA 0.014 45.137 45.100 0.037 0.000 1.242 152 G HN 0.427 nan 8.290 nan 0.000 0.520 153 D N 0.887 121.308 120.400 0.035 0.000 2.503 153 D HA 0.122 4.762 4.640 -0.000 0.000 0.218 153 D C 0.479 176.794 176.300 0.024 0.000 1.183 153 D CA 0.035 54.048 54.000 0.022 0.000 0.827 153 D CB 0.249 41.057 40.800 0.014 0.000 1.034 153 D HN 0.501 nan 8.370 nan 0.000 0.510 154 K N 1.467 121.887 120.400 0.033 0.000 6.826 154 K HA -0.088 4.232 4.320 -0.000 0.000 0.788 154 K C -2.729 173.878 176.600 0.012 0.000 2.287 154 K CA 0.119 56.422 56.287 0.028 0.000 1.704 154 K CB -0.933 31.579 32.500 0.020 0.000 2.053 154 K HN 0.189 nan 8.250 nan 0.000 0.296 155 P HA 0.198 nan 4.420 nan 0.000 0.274 155 P C -0.133 177.165 177.300 -0.004 0.000 1.256 155 P CA -0.595 62.483 63.100 -0.037 0.000 0.795 155 P CB 0.663 32.272 31.700 -0.152 0.000 1.038 156 V N 2.661 122.592 119.914 0.029 0.000 2.389 156 V HA 0.185 4.305 4.120 -0.000 0.000 0.264 156 V C 1.146 177.191 176.094 -0.082 0.000 1.049 156 V CA -0.059 62.247 62.300 0.011 0.000 0.932 156 V CB -0.584 31.305 31.823 0.110 0.000 1.011 156 V HN 0.420 nan 8.190 nan 0.000 0.475 157 R N 2.836 123.289 120.500 -0.078 0.000 2.486 157 R HA 0.404 4.744 4.340 -0.000 0.000 0.286 157 R C 0.972 177.207 176.300 -0.109 0.000 0.999 157 R CA -0.061 55.982 56.100 -0.095 0.000 0.993 157 R CB 1.623 31.877 30.300 -0.076 0.000 1.084 157 R HN 0.803 nan 8.270 nan 0.000 0.487 158 S N 0.365 115.997 115.700 -0.113 0.000 2.452 158 S HA 0.139 4.609 4.470 -0.000 0.000 0.225 158 S C 1.022 175.589 174.600 -0.056 0.000 1.057 158 S CA 0.099 58.240 58.200 -0.098 0.000 0.949 158 S CB 0.327 63.458 63.200 -0.114 0.000 0.836 158 S HN 0.654 nan 8.310 nan 0.000 0.518 159 G N 0.385 109.160 108.800 -0.042 0.000 2.932 159 G HA2 0.537 4.497 3.960 -0.000 0.000 0.283 159 G HA3 0.537 4.497 3.960 -0.000 0.000 0.283 159 G C 0.153 175.012 174.900 -0.069 0.000 1.336 159 G CA -0.864 44.223 45.100 -0.022 0.000 1.056 159 G HN 0.232 nan 8.290 nan 0.000 0.522 160 R N -1.319 119.105 120.500 -0.126 0.000 2.091 160 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 160 R C 1.654 177.697 176.300 -0.429 0.000 1.136 160 R CA 1.929 57.805 56.100 -0.374 0.000 0.959 160 R CB -0.175 29.753 30.300 -0.620 0.000 0.856 160 R HN 0.661 nan 8.270 nan 0.000 0.437 161 W N 0.885 122.201 121.300 0.025 0.000 3.107 161 W HA 0.139 4.799 4.660 0.000 0.000 0.293 161 W C 0.431 176.955 176.519 0.010 0.000 1.239 161 W CA -0.709 56.656 57.345 0.032 0.000 1.653 161 W CB 0.383 29.893 29.460 0.083 0.000 1.068 161 W HN 0.097 nan 8.180 nan 0.000 0.615 162 Q N 2.077 121.956 119.800 0.131 0.000 2.240 162 Q HA 0.644 4.984 4.340 -0.000 0.000 0.260 162 Q C -0.287 175.698 176.000 -0.025 0.000 1.018 162 Q CA -0.838 54.981 55.803 0.027 0.000 0.898 162 Q CB 2.219 30.923 28.738 -0.057 0.000 1.301 162 Q HN 0.355 nan 8.270 nan 0.000 0.469 163 I N -2.354 118.165 120.570 -0.084 0.000 2.769 163 I HA 0.474 4.644 4.170 -0.000 0.000 0.298 163 I C -0.796 175.194 176.117 -0.211 0.000 1.128 163 I CA -1.404 59.805 61.300 -0.152 0.000 1.031 163 I CB 2.217 40.079 38.000 -0.230 0.000 1.235 163 I HN 0.385 nan 8.210 nan 0.000 0.423 164 M N 5.982 125.416 119.600 -0.277 0.000 2.211 164 M HA 0.567 5.047 4.480 -0.000 0.000 0.356 164 M C -0.321 175.770 176.300 -0.349 0.000 1.216 164 M CA -0.409 54.588 55.300 -0.506 0.000 1.134 164 M CB 0.668 32.671 32.600 -0.996 0.000 1.564 164 M HN 0.705 nan 8.290 nan 0.000 0.463 165 I N 0.485 120.881 120.570 -0.290 0.000 2.994 165 I HA 0.524 4.694 4.170 -0.000 0.000 0.306 165 I C -0.650 175.565 176.117 0.164 0.000 1.195 165 I CA -0.979 60.344 61.300 0.039 0.000 1.001 165 I CB 2.218 40.135 38.000 -0.138 0.000 1.244 165 I HN 0.388 nan 8.210 nan 0.000 0.437 166 N N 3.568 122.441 118.700 0.287 0.000 2.602 166 N HA 0.305 5.045 4.740 -0.000 0.000 0.238 166 N C 0.208 175.763 175.510 0.074 0.000 1.084 166 N CA -0.183 52.990 53.050 0.206 0.000 0.952 166 N CB 1.408 40.002 38.487 0.178 0.000 1.244 166 N HN 0.993 nan 8.380 nan 0.000 0.512 167 G N 0.580 109.408 108.800 0.047 0.000 4.098 167 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.300 167 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.300 167 G C 1.022 175.994 174.900 0.121 0.000 1.187 167 G CA -0.257 44.866 45.100 0.039 0.000 0.964 167 G HN 0.336 nan 8.290 nan 0.000 0.559 168 E N 0.607 120.867 120.200 0.099 0.000 2.058 168 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 168 E C 1.224 177.880 176.600 0.093 0.000 0.997 168 E CA 0.894 57.350 56.400 0.095 0.000 0.801 168 E CB -0.030 29.718 29.700 0.080 0.000 0.746 168 E HN 0.230 nan 8.360 nan 0.000 0.450 169 S N 0.771 116.525 115.700 0.090 0.000 2.677 169 S HA 0.038 4.508 4.470 -0.000 0.000 0.246 169 S C 0.632 175.309 174.600 0.129 0.000 1.005 169 S CA -0.461 57.788 58.200 0.083 0.000 1.062 169 S CB -0.242 62.995 63.200 0.062 0.000 0.778 169 S HN 0.313 nan 8.310 nan 0.000 0.461 170 Y N 3.047 123.330 120.300 -0.028 0.000 2.163 170 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 170 Y C 2.102 177.945 175.900 -0.095 0.000 1.136 170 Y CA 1.476 59.530 58.100 -0.077 0.000 1.147 170 Y CB -0.487 37.915 38.460 -0.096 0.000 0.987 170 Y HN 0.201 nan 8.280 nan 0.000 0.509 171 K N 0.188 120.532 120.400 -0.093 0.000 2.057 171 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 171 K C 2.236 178.789 176.600 -0.078 0.000 1.050 171 K CA 1.498 57.677 56.287 -0.179 0.000 0.935 171 K CB -1.052 31.363 32.500 -0.142 0.000 0.715 171 K HN 0.240 nan 8.250 nan 0.000 0.439 172 V N 0.475 120.374 119.914 -0.025 0.000 2.407 172 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 172 V C 1.970 178.059 176.094 -0.009 0.000 1.055 172 V CA 1.708 63.996 62.300 -0.019 0.000 1.049 172 V CB -0.242 31.576 31.823 -0.008 0.000 0.662 172 V HN 0.394 nan 8.190 nan 0.000 0.455 173 I N -0.374 120.218 120.570 0.036 0.000 2.113 173 I HA -0.197 3.973 4.170 -0.000 0.000 0.238 173 I C 2.466 178.609 176.117 0.043 0.000 1.070 173 I CA 1.948 63.291 61.300 0.071 0.000 1.332 173 I CB -0.495 37.608 38.000 0.172 0.000 1.044 173 I HN 0.205 nan 8.210 nan 0.000 0.402 174 V N 1.129 121.093 119.914 0.083 0.000 2.324 174 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 174 V C 2.654 178.740 176.094 -0.013 0.000 1.060 174 V CA 2.134 64.501 62.300 0.111 0.000 1.042 174 V CB -1.176 30.669 31.823 0.037 0.000 0.650 174 V HN 0.541 nan 8.190 nan 0.000 0.450 175 A N -0.723 122.072 122.820 -0.042 0.000 2.015 175 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 175 A C 2.278 179.807 177.584 -0.091 0.000 1.163 175 A CA 1.804 53.807 52.037 -0.057 0.000 0.646 175 A CB -0.436 18.528 19.000 -0.059 0.000 0.806 175 A HN 0.657 nan 8.150 nan 0.000 0.448 176 E N -0.027 120.101 120.200 -0.120 0.000 2.047 176 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 176 E C 2.118 178.580 176.600 -0.230 0.000 0.987 176 E CA 0.922 57.235 56.400 -0.146 0.000 0.799 176 E CB -0.255 29.368 29.700 -0.128 0.000 0.752 176 E HN 0.522 nan 8.360 nan 0.000 0.449 177 A N 0.999 123.560 122.820 -0.432 0.000 1.978 177 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 177 A C 2.305 179.749 177.584 -0.232 0.000 1.170 177 A CA 1.737 53.402 52.037 -0.619 0.000 0.636 177 A CB -0.621 17.401 19.000 -1.629 0.000 0.810 177 A HN 0.414 nan 8.150 nan 0.000 0.448 178 A N -0.468 122.273 122.820 -0.132 0.000 1.929 178 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 178 A C 2.133 179.704 177.584 -0.021 0.000 1.176 178 A CA 1.708 53.740 52.037 -0.008 0.000 0.628 178 A CB -0.339 18.663 19.000 0.005 0.000 0.816 178 A HN 0.511 nan 8.150 nan 0.000 0.444 179 K N -0.269 120.098 120.400 -0.054 0.000 2.031 179 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 179 K C 1.256 177.833 176.600 -0.039 0.000 1.049 179 K CA 1.487 57.748 56.287 -0.045 0.000 0.939 179 K CB -0.216 32.252 32.500 -0.052 0.000 0.717 179 K HN 0.373 nan 8.250 nan 0.000 0.438 180 N N 0.575 119.240 118.700 -0.059 0.000 2.520 180 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 180 N C 1.091 176.593 175.510 -0.014 0.000 1.068 180 N CA 0.968 53.991 53.050 -0.045 0.000 0.911 180 N CB 0.060 38.501 38.487 -0.076 0.000 0.961 180 N HN 0.288 nan 8.380 nan 0.000 0.446 181 A N -0.279 122.545 122.820 0.007 0.000 1.920 181 A HA 0.226 4.546 4.320 -0.000 0.000 0.209 181 A C 2.072 179.663 177.584 0.011 0.000 1.229 181 A CA 0.228 52.285 52.037 0.033 0.000 0.671 181 A CB -0.253 18.808 19.000 0.101 0.000 0.886 181 A HN 0.146 nan 8.150 nan 0.000 0.461 182 L N -0.800 120.426 121.223 0.005 0.000 2.127 182 L HA 0.242 4.582 4.340 -0.000 0.000 0.203 182 L C 1.256 178.120 176.870 -0.010 0.000 1.080 182 L CA 0.792 55.628 54.840 -0.006 0.000 0.768 182 L CB -0.438 41.614 42.059 -0.012 0.000 0.924 182 L HN 0.607 nan 8.230 nan 0.000 0.444 183 G N 0.211 109.004 108.800 -0.012 0.000 2.862 183 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.686 183 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.686 183 G C 0.279 175.171 174.900 -0.013 0.000 1.134 183 G CA 0.041 45.133 45.100 -0.012 0.000 0.791 183 G HN 0.414 nan 8.290 nan 0.000 0.592 184 Q N 0.556 120.348 119.800 -0.014 0.000 2.508 184 Q HA 0.037 4.377 4.340 -0.000 0.000 0.214 184 Q C 1.333 177.330 176.000 -0.005 0.000 0.979 184 Q CA 2.179 57.974 55.803 -0.014 0.000 0.911 184 Q CB 0.098 28.827 28.738 -0.015 0.000 0.969 184 Q HN 0.604 nan 8.270 nan 0.000 0.504 185 D N 0.188 120.588 120.400 -0.000 0.000 2.347 185 D HA 0.033 4.673 4.640 -0.000 0.000 0.213 185 D C 0.798 177.105 176.300 0.013 0.000 0.985 185 D CA 0.474 54.480 54.000 0.010 0.000 0.879 185 D CB 0.268 41.074 40.800 0.011 0.000 0.919 185 D HN 0.249 nan 8.370 nan 0.000 0.526 186 R N -0.479 120.022 120.500 0.002 0.000 2.509 186 R HA 0.371 4.711 4.340 -0.000 0.000 0.300 186 R C -0.281 176.009 176.300 -0.017 0.000 0.985 186 R CA -0.070 56.029 56.100 -0.002 0.000 1.092 186 R CB 0.939 31.234 30.300 -0.008 0.000 1.237 186 R HN 0.079 nan 8.270 nan 0.000 0.546 187 I N 1.108 121.667 120.570 -0.019 0.000 2.406 187 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 187 I C -0.730 175.370 176.117 -0.029 0.000 0.999 187 I CA -0.828 60.450 61.300 -0.036 0.000 1.124 187 I CB 2.151 40.127 38.000 -0.040 0.000 1.289 187 I HN 0.001 nan 8.210 nan 0.000 0.441 188 I N 7.269 127.810 120.570 -0.048 0.000 2.439 188 I HA 0.381 4.551 4.170 -0.000 0.000 0.283 188 I C -0.216 175.851 176.117 -0.083 0.000 1.023 188 I CA -0.065 61.210 61.300 -0.041 0.000 1.100 188 I CB 0.769 38.766 38.000 -0.005 0.000 1.238 188 I HN 0.716 nan 8.210 nan 0.000 0.445 189 E N 6.892 127.046 120.200 -0.076 0.000 2.285 189 E HA 0.525 4.875 4.350 -0.000 0.000 0.254 189 E C -0.309 176.233 176.600 -0.096 0.000 1.011 189 E CA -0.863 55.480 56.400 -0.096 0.000 0.873 189 E CB 0.620 30.268 29.700 -0.087 0.000 1.229 189 E HN 0.443 nan 8.360 nan 0.000 0.422 190 R N -0.248 120.191 120.500 -0.101 0.000 3.525 190 R HA -0.139 4.201 4.340 -0.000 0.000 0.276 190 R C -0.738 175.495 176.300 -0.111 0.000 1.116 190 R CA 0.476 56.521 56.100 -0.091 0.000 0.745 190 R CB -1.788 28.477 30.300 -0.060 0.000 1.185 190 R HN 0.653 nan 8.270 nan 0.000 0.454 191 I N 0.961 121.440 120.570 -0.151 0.000 2.476 191 I HA 0.262 4.432 4.170 -0.000 0.000 0.281 191 I C -0.836 175.151 176.117 -0.216 0.000 1.040 191 I CA -1.048 60.128 61.300 -0.207 0.000 1.094 191 I CB 0.986 38.819 38.000 -0.279 0.000 1.219 191 I HN 0.029 nan 8.210 nan 0.000 0.450 192 F N 8.834 128.495 119.950 -0.482 0.000 2.411 192 F HA 0.478 5.005 4.527 -0.000 0.000 0.355 192 F C -0.270 175.254 175.800 -0.459 0.000 1.117 192 F CA -0.569 57.128 58.000 -0.504 0.000 1.139 192 F CB 0.661 39.255 39.000 -0.677 0.000 1.120 192 F HN 0.211 nan 8.300 nan 0.000 0.493 193 I N 7.935 127.966 120.570 -0.899 0.000 2.395 193 I HA 0.094 4.264 4.170 -0.000 0.000 0.289 193 I C 0.651 176.278 176.117 -0.816 0.000 1.023 193 I CA -0.115 60.788 61.300 -0.662 0.000 1.350 193 I CB 1.208 38.917 38.000 -0.484 0.000 1.409 193 I HN 0.591 nan 8.210 nan 0.000 0.507 194 V N 5.431 125.091 119.914 -0.423 0.000 2.627 194 V HA 0.110 4.230 4.120 -0.000 0.000 0.239 194 V C 0.661 176.679 176.094 -0.126 0.000 1.077 194 V CA 0.690 62.838 62.300 -0.254 0.000 1.103 194 V CB -0.010 31.498 31.823 -0.525 0.000 0.802 194 V HN 0.686 nan 8.190 nan 0.000 0.482 195 K N 0.243 120.523 120.400 -0.201 0.000 2.378 195 K HA 0.613 4.933 4.320 -0.000 0.000 0.252 195 K C -1.293 175.213 176.600 -0.156 0.000 0.931 195 K CA -0.403 55.787 56.287 -0.161 0.000 0.794 195 K CB 1.667 34.062 32.500 -0.175 0.000 1.181 195 K HN 0.141 nan 8.250 nan 0.000 0.425 196 L N 4.539 125.677 121.223 -0.142 0.000 2.360 196 L HA 0.544 4.884 4.340 -0.000 0.000 0.271 196 L C -0.599 176.217 176.870 -0.090 0.000 1.057 196 L CA -1.073 53.699 54.840 -0.112 0.000 0.803 196 L CB 0.949 42.943 42.059 -0.108 0.000 1.207 196 L HN 0.473 nan 8.230 nan 0.000 0.445 197 L N 2.953 124.139 121.223 -0.060 0.000 2.381 197 L HA 0.408 4.748 4.340 -0.000 0.000 0.274 197 L C -0.575 176.364 176.870 0.116 0.000 0.988 197 L CA -0.802 54.011 54.840 -0.045 0.000 0.824 197 L CB 1.871 43.734 42.059 -0.327 0.000 1.263 197 L HN 0.295 nan 8.230 nan 0.000 0.410 198 L N 1.493 122.787 121.223 0.120 0.000 2.464 198 L HA 0.170 4.510 4.340 -0.000 0.000 0.264 198 L C 0.239 177.261 176.870 0.253 0.000 1.199 198 L CA 0.226 55.161 54.840 0.158 0.000 0.818 198 L CB 0.535 42.660 42.059 0.110 0.000 1.102 198 L HN 0.591 nan 8.230 nan 0.000 0.473 199 D N 0.159 120.703 120.400 0.240 0.000 2.341 199 D HA 0.066 4.706 4.640 -0.000 0.000 0.245 199 D C 0.826 177.220 176.300 0.157 0.000 1.106 199 D CA -0.058 54.078 54.000 0.226 0.000 0.905 199 D CB 0.871 41.846 40.800 0.292 0.000 1.202 199 D HN 0.542 nan 8.370 nan 0.000 0.426 200 K N 1.816 122.282 120.400 0.110 0.000 2.393 200 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 200 K C 0.275 176.911 176.600 0.059 0.000 1.026 200 K CA 0.421 56.759 56.287 0.085 0.000 1.064 200 K CB 0.244 32.790 32.500 0.078 0.000 0.833 200 K HN 0.269 nan 8.250 nan 0.000 0.521 201 N N 0.211 118.946 118.700 0.057 0.000 2.684 201 N HA 0.002 4.742 4.740 -0.000 0.000 0.220 201 N C -0.213 175.345 175.510 0.079 0.000 1.037 201 N CA 0.555 53.636 53.050 0.051 0.000 0.975 201 N CB 0.085 38.586 38.487 0.023 0.000 1.426 201 N HN -0.008 nan 8.380 nan 0.000 0.450 202 T N 4.817 119.445 114.554 0.123 0.000 2.729 202 T HA 0.276 4.626 4.350 -0.000 0.000 0.296 202 T C -2.475 172.297 174.700 0.119 0.000 0.928 202 T CA -1.142 61.041 62.100 0.138 0.000 1.045 202 T CB 1.571 70.566 68.868 0.212 0.000 0.902 202 T HN 0.109 nan 8.240 nan 0.000 0.500 203 P HA 0.135 nan 4.420 nan 0.000 0.271 203 P C 0.368 177.705 177.300 0.062 0.000 1.216 203 P CA -0.116 63.024 63.100 0.067 0.000 0.776 203 P CB 0.245 31.974 31.700 0.049 0.000 0.881 204 N N 0.053 118.784 118.700 0.051 0.000 2.714 204 N HA -0.240 4.500 4.740 -0.000 0.000 0.250 204 N C -0.498 175.026 175.510 0.023 0.000 1.117 204 N CA 0.789 53.858 53.050 0.031 0.000 0.719 204 N CB -0.900 37.599 38.487 0.020 0.000 1.081 204 N HN 0.441 nan 8.380 nan 0.000 0.557 205 R N 0.740 121.274 120.500 0.057 0.000 2.437 205 R HA 0.509 4.849 4.340 -0.000 0.000 0.310 205 R C -0.552 175.798 176.300 0.083 0.000 0.955 205 R CA -0.794 55.337 56.100 0.051 0.000 0.851 205 R CB 0.608 30.980 30.300 0.120 0.000 1.161 205 R HN 0.230 nan 8.270 nan 0.000 0.446 206 I N 3.867 124.438 120.570 0.001 0.000 2.588 206 I HA 0.196 4.366 4.170 -0.000 0.000 0.283 206 I C 0.225 176.465 176.117 0.204 0.000 1.119 206 I CA 0.652 61.983 61.300 0.051 0.000 1.419 206 I CB 1.489 39.454 38.000 -0.058 0.000 1.394 206 I HN 0.959 nan 8.210 nan 0.000 0.562 207 A N 5.259 128.266 122.820 0.310 0.000 2.066 207 A HA 0.625 4.945 4.320 -0.000 0.000 0.198 207 A C 0.649 178.522 177.584 0.482 0.000 1.405 207 A CA 0.667 52.980 52.037 0.459 0.000 0.973 207 A CB 0.389 19.647 19.000 0.429 0.000 1.026 207 A HN 0.817 nan 8.150 nan 0.000 0.474 208 G N -1.914 107.158 108.800 0.454 0.000 2.428 208 G HA2 0.654 4.614 3.960 -0.000 0.000 0.305 208 G HA3 0.654 4.614 3.960 -0.000 0.000 0.305 208 G C -1.504 173.486 174.900 0.150 0.000 1.260 208 G CA 0.251 45.587 45.100 0.393 0.000 0.853 208 G HN 1.436 nan 8.290 nan 0.000 0.480 209 A N -1.154 121.749 122.820 0.139 0.000 2.547 209 A HA 0.824 5.144 4.320 -0.000 0.000 0.297 209 A C -0.766 176.890 177.584 0.121 0.000 1.056 209 A CA 0.001 52.055 52.037 0.028 0.000 0.688 209 A CB 1.481 20.451 19.000 -0.049 0.000 1.282 209 A HN 2.148 nan 8.150 nan 0.000 0.400 210 V N -0.149 119.765 119.914 0.000 0.000 2.513 210 V HA 1.019 5.139 4.120 -0.000 0.000 0.299 210 V C 0.370 176.482 176.094 0.030 0.000 1.035 210 V CA 0.187 62.520 62.300 0.056 0.000 0.889 210 V CB 0.993 32.790 31.823 -0.043 0.000 0.988 210 V HN 1.834 nan 8.190 nan 0.000 0.440 211 G N 2.566 111.457 108.800 0.152 0.000 2.721 211 G HA2 0.824 4.784 3.960 -0.000 0.000 0.296 211 G HA3 0.824 4.784 3.960 -0.000 0.000 0.296 211 G C -1.529 173.535 174.900 0.273 0.000 1.383 211 G CA -0.641 44.509 45.100 0.083 0.000 0.788 211 G HN 1.242 nan 8.290 nan 0.000 0.500 212 F N -1.172 118.877 119.950 0.166 0.000 2.593 212 F HA 0.769 5.296 4.527 -0.000 0.000 0.320 212 F C -0.600 175.281 175.800 0.135 0.000 1.060 212 F CA -1.722 56.406 58.000 0.213 0.000 0.940 212 F CB 1.680 40.813 39.000 0.222 0.000 1.268 212 F HN 0.404 nan 8.300 nan 0.000 0.475 213 N N 1.406 120.295 118.700 0.315 0.000 2.488 213 N HA 0.250 4.990 4.740 -0.000 0.000 0.274 213 N C 0.087 175.735 175.510 0.230 0.000 1.111 213 N CA -0.398 52.733 53.050 0.135 0.000 0.974 213 N CB 1.241 39.831 38.487 0.173 0.000 1.089 213 N HN 0.764 nan 8.380 nan 0.000 0.465 214 L N 2.990 124.273 121.223 0.101 0.000 2.554 214 L HA 0.239 4.579 4.340 -0.000 0.000 0.226 214 L C 1.858 178.784 176.870 0.093 0.000 1.137 214 L CA 0.661 55.573 54.840 0.119 0.000 0.863 214 L CB -0.217 41.861 42.059 0.031 0.000 0.985 214 L HN 0.538 nan 8.230 nan 0.000 0.451 215 R N -1.064 119.482 120.500 0.077 0.000 2.307 215 R HA 0.531 4.871 4.340 -0.000 0.000 0.200 215 R C 0.186 176.526 176.300 0.066 0.000 0.893 215 R CA 0.550 56.683 56.100 0.055 0.000 1.042 215 R CB 0.616 30.935 30.300 0.032 0.000 1.059 215 R HN 0.136 nan 8.270 nan 0.000 0.530 216 A N 0.591 123.470 122.820 0.098 0.000 2.594 216 A HA 0.463 4.783 4.320 -0.000 0.000 0.295 216 A C -1.275 176.391 177.584 0.136 0.000 1.071 216 A CA -0.774 51.320 52.037 0.094 0.000 0.685 216 A CB 0.906 19.954 19.000 0.081 0.000 1.285 216 A HN 0.143 nan 8.150 nan 0.000 0.405 217 N N 1.459 120.216 118.700 0.094 0.000 2.498 217 N HA 0.343 5.083 4.740 -0.000 0.000 0.277 217 N C -1.040 174.505 175.510 0.059 0.000 1.208 217 N CA 0.542 53.650 53.050 0.098 0.000 1.029 217 N CB 0.047 38.520 38.487 -0.024 0.000 1.403 217 N HN 0.580 nan 8.380 nan 0.000 0.500 218 E N 0.337 120.649 120.200 0.188 0.000 2.278 218 E HA 0.269 4.619 4.350 -0.000 0.000 0.272 218 E C -1.135 175.665 176.600 0.333 0.000 0.890 218 E CA -0.740 55.761 56.400 0.169 0.000 0.770 218 E CB 1.994 31.825 29.700 0.217 0.000 1.212 218 E HN 0.007 nan 8.360 nan 0.000 0.415 219 V N 3.224 123.247 119.914 0.182 0.000 2.385 219 V HA 0.171 4.291 4.120 -0.000 0.000 0.269 219 V C -0.714 175.473 176.094 0.154 0.000 1.043 219 V CA -0.535 61.920 62.300 0.258 0.000 0.906 219 V CB 0.283 32.200 31.823 0.157 0.000 0.995 219 V HN 0.644 nan 8.190 nan 0.000 0.467 220 H N 4.604 123.741 119.070 0.113 0.000 2.690 220 H HA 0.489 5.045 4.556 -0.000 0.000 0.289 220 H C -0.222 175.059 175.328 -0.079 0.000 1.089 220 H CA -0.413 55.631 56.048 -0.008 0.000 1.299 220 H CB 0.675 30.485 29.762 0.079 0.000 1.405 220 H HN 0.494 nan 8.280 nan 0.000 0.463 221 I N 3.863 124.378 120.570 -0.091 0.000 2.395 221 I HA 0.142 4.312 4.170 -0.000 0.000 0.289 221 I C -0.489 175.564 176.117 -0.108 0.000 1.023 221 I CA 0.141 61.436 61.300 -0.008 0.000 1.350 221 I CB 0.252 38.280 38.000 0.046 0.000 1.409 221 I HN 0.405 nan 8.210 nan 0.000 0.507 222 F N 5.506 125.598 119.950 0.236 0.000 2.477 222 F HA 0.494 5.021 4.527 -0.000 0.000 0.335 222 F C 0.119 176.099 175.800 0.300 0.000 1.130 222 F CA -0.834 57.312 58.000 0.243 0.000 0.948 222 F CB 1.255 40.328 39.000 0.122 0.000 1.154 222 F HN 0.218 nan 8.300 nan 0.000 0.439 223 K N 2.670 123.316 120.400 0.411 0.000 2.185 223 K HA 0.879 5.199 4.320 -0.000 0.000 0.269 223 K C -0.723 176.044 176.600 0.279 0.000 0.987 223 K CA -0.612 55.869 56.287 0.322 0.000 0.865 223 K CB 1.811 34.375 32.500 0.105 0.000 1.090 223 K HN 0.706 nan 8.250 nan 0.000 0.450 224 A N 1.921 124.914 122.820 0.288 0.000 2.587 224 A HA 0.323 4.643 4.320 -0.000 0.000 0.293 224 A C -0.199 177.582 177.584 0.328 0.000 1.087 224 A CA -0.715 51.475 52.037 0.254 0.000 0.692 224 A CB 1.451 20.556 19.000 0.176 0.000 1.291 224 A HN 0.704 nan 8.150 nan 0.000 0.407 225 N N 0.218 119.101 118.700 0.305 0.000 2.240 225 N HA 0.189 4.929 4.740 -0.000 0.000 0.187 225 N C 0.579 176.181 175.510 0.154 0.000 1.042 225 N CA 1.480 54.726 53.050 0.327 0.000 0.861 225 N CB 0.117 38.874 38.487 0.449 0.000 1.026 225 N HN 0.935 nan 8.380 nan 0.000 0.441 226 A N 0.760 123.662 122.820 0.138 0.000 2.337 226 A HA 0.714 5.034 4.320 -0.000 0.000 0.329 226 A C -0.376 177.195 177.584 -0.022 0.000 1.146 226 A CA -0.547 51.472 52.037 -0.030 0.000 0.800 226 A CB 0.845 19.813 19.000 -0.054 0.000 1.220 226 A HN 0.459 nan 8.150 nan 0.000 0.472 227 M N 1.073 120.669 119.600 -0.006 0.000 2.470 227 M HA 0.734 5.214 4.480 -0.000 0.000 0.285 227 M C -1.747 174.563 176.300 0.017 0.000 1.213 227 M CA -0.699 54.585 55.300 -0.026 0.000 0.901 227 M CB 1.928 34.503 32.600 -0.041 0.000 1.718 227 M HN 0.272 nan 8.290 nan 0.000 0.469 228 V N 1.941 121.827 119.914 -0.047 0.000 2.472 228 V HA 0.680 4.800 4.120 -0.000 0.000 0.290 228 V C -0.414 175.632 176.094 -0.080 0.000 1.037 228 V CA -0.787 61.496 62.300 -0.029 0.000 0.908 228 V CB 1.448 33.226 31.823 -0.075 0.000 0.985 228 V HN 0.733 nan 8.190 nan 0.000 0.454 229 V N 3.655 123.525 119.914 -0.074 0.000 2.325 229 V HA 0.696 4.816 4.120 -0.000 0.000 0.280 229 V C 0.348 176.372 176.094 -0.118 0.000 1.016 229 V CA -0.197 62.028 62.300 -0.125 0.000 0.818 229 V CB 1.223 32.958 31.823 -0.147 0.000 1.019 229 V HN 1.037 nan 8.190 nan 0.000 0.434 230 A N 3.352 126.099 122.820 -0.123 0.000 2.842 230 A HA 0.468 4.788 4.320 -0.000 0.000 0.339 230 A C 0.206 177.717 177.584 -0.121 0.000 1.177 230 A CA -0.217 51.755 52.037 -0.108 0.000 0.797 230 A CB 0.271 19.227 19.000 -0.073 0.000 1.094 230 A HN 0.786 nan 8.150 nan 0.000 0.474 231 C N 1.172 120.380 119.300 -0.154 0.000 2.647 231 C HA 0.600 5.060 4.460 -0.000 0.000 0.296 231 C C 1.483 176.408 174.990 -0.109 0.000 1.403 231 C CA 0.105 59.043 59.018 -0.133 0.000 1.781 231 C CB -1.619 26.021 27.740 -0.166 0.000 2.464 231 C HN 1.495 nan 8.230 nan 0.000 0.559 232 G N 0.988 109.721 108.800 -0.112 0.000 2.741 232 G HA2 0.199 4.159 3.960 -0.000 0.000 0.222 232 G HA3 0.199 4.159 3.960 -0.000 0.000 0.222 232 G C 0.205 175.016 174.900 -0.148 0.000 1.364 232 G CA -0.363 44.696 45.100 -0.068 0.000 0.866 232 G HN 0.719 nan 8.290 nan 0.000 0.555 233 G N -0.849 107.977 108.800 0.044 0.000 2.829 233 G HA2 0.818 4.778 3.960 -0.000 0.000 0.173 233 G HA3 0.818 4.778 3.960 -0.000 0.000 0.173 233 G C 0.214 175.208 174.900 0.156 0.000 1.476 233 G CA 0.712 45.879 45.100 0.111 0.000 1.072 233 G HN 2.265 nan 8.290 nan 0.000 0.577 234 A N -0.964 122.034 122.820 0.297 0.000 2.385 234 A HA 0.635 4.955 4.320 -0.000 0.000 0.290 234 A C -0.852 176.889 177.584 0.261 0.000 1.094 234 A CA -0.336 51.854 52.037 0.255 0.000 0.729 234 A CB 1.448 20.620 19.000 0.286 0.000 1.194 234 A HN 1.800 nan 8.150 nan 0.000 0.442 235 V N 1.785 121.831 119.914 0.219 0.000 3.040 235 V HA 0.659 4.779 4.120 -0.000 0.000 0.312 235 V C 0.170 176.391 176.094 0.211 0.000 1.115 235 V CA -0.290 62.168 62.300 0.263 0.000 0.998 235 V CB 1.517 33.398 31.823 0.097 0.000 1.042 235 V HN 1.096 nan 8.190 nan 0.000 0.433 236 N N 0.915 119.772 118.700 0.261 0.000 2.738 236 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 236 N C 0.549 176.137 175.510 0.129 0.000 1.047 236 N CA 0.730 53.888 53.050 0.180 0.000 0.707 236 N CB -0.445 38.121 38.487 0.131 0.000 0.937 236 N HN 1.065 nan 8.380 nan 0.000 0.545 237 V N -4.315 115.680 119.914 0.135 0.000 3.565 237 V HA 0.220 4.340 4.120 -0.000 0.000 0.260 237 V C 0.507 176.491 176.094 -0.183 0.000 1.231 237 V CA 0.605 62.905 62.300 0.001 0.000 1.100 237 V CB -0.213 31.617 31.823 0.012 0.000 0.807 237 V HN 0.213 nan 8.190 nan 0.000 0.454 238 Y N 0.036 120.329 120.300 -0.011 0.000 2.549 238 Y HA 0.612 5.162 4.550 -0.000 0.000 0.339 238 Y C 0.619 176.495 175.900 -0.041 0.000 1.053 238 Y CA -1.300 56.770 58.100 -0.051 0.000 1.105 238 Y CB 1.187 39.585 38.460 -0.103 0.000 1.258 238 Y HN -0.083 nan 8.280 nan 0.000 0.478 239 R N 3.212 123.774 120.500 0.102 0.000 2.449 239 R HA 0.179 4.519 4.340 -0.000 0.000 0.296 239 R C -2.540 173.782 176.300 0.038 0.000 1.047 239 R CA -1.216 54.908 56.100 0.041 0.000 1.018 239 R CB 0.339 30.636 30.300 -0.005 0.000 0.962 239 R HN 0.372 nan 8.270 nan 0.000 0.428 240 P HA 0.196 nan 4.420 nan 0.000 0.289 240 P C -0.176 177.162 177.300 0.063 0.000 1.299 240 P CA -0.366 62.788 63.100 0.090 0.000 0.766 240 P CB 0.594 32.384 31.700 0.150 0.000 1.226 241 R N -1.138 119.435 120.500 0.121 0.000 2.297 241 R HA 0.209 4.549 4.340 -0.000 0.000 0.197 241 R C -0.098 176.228 176.300 0.044 0.000 0.943 241 R CA 0.549 56.697 56.100 0.079 0.000 1.038 241 R CB 0.033 30.417 30.300 0.141 0.000 0.957 241 R HN 0.346 nan 8.270 nan 0.000 0.484 242 S N 0.391 116.118 115.700 0.044 0.000 2.659 242 S HA 0.145 4.615 4.470 -0.000 0.000 0.312 242 S C 0.578 175.190 174.600 0.020 0.000 1.114 242 S CA -0.713 57.494 58.200 0.011 0.000 1.063 242 S CB 2.173 65.361 63.200 -0.020 0.000 0.996 242 S HN 0.081 nan 8.310 nan 0.000 0.478 243 V N 1.168 121.088 119.914 0.011 0.000 3.621 243 V HA 0.407 4.527 4.120 -0.000 0.000 0.285 243 V C 1.185 177.285 176.094 0.011 0.000 1.346 243 V CA 0.766 63.074 62.300 0.012 0.000 1.104 243 V CB -0.719 31.105 31.823 0.003 0.000 0.913 243 V HN 0.718 nan 8.190 nan 0.000 0.432 244 G N 0.659 109.464 108.800 0.007 0.000 3.224 244 G HA2 0.094 4.054 3.960 -0.000 0.000 0.161 244 G HA3 0.094 4.054 3.960 -0.000 0.000 0.161 244 G C 0.872 175.778 174.900 0.010 0.000 1.872 244 G CA 0.497 45.601 45.100 0.006 0.000 1.012 244 G HN 0.373 nan 8.290 nan 0.000 0.504 245 E N 0.034 120.238 120.200 0.006 0.000 2.152 245 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 245 E C 2.447 179.051 176.600 0.006 0.000 0.983 245 E CA 0.492 56.897 56.400 0.008 0.000 0.818 245 E CB -0.237 29.465 29.700 0.004 0.000 0.758 245 E HN 0.408 nan 8.360 nan 0.000 0.467 246 G N 0.943 109.740 108.800 -0.005 0.000 2.653 246 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.212 246 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.212 246 G C 1.326 176.233 174.900 0.011 0.000 1.138 246 G CA 0.188 45.278 45.100 -0.018 0.000 0.782 246 G HN 0.132 nan 8.290 nan 0.000 0.535 247 M N 1.193 120.809 119.600 0.027 0.000 2.358 247 M HA 0.102 4.582 4.480 -0.000 0.000 0.264 247 M C 2.270 178.604 176.300 0.057 0.000 1.064 247 M CA 1.494 56.824 55.300 0.050 0.000 1.093 247 M CB -0.210 32.416 32.600 0.044 0.000 1.401 247 M HN 0.080 nan 8.290 nan 0.000 0.440 248 G N -1.421 107.403 108.800 0.039 0.000 2.683 248 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.213 248 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.213 248 G C 0.803 175.712 174.900 0.015 0.000 1.142 248 G CA -0.223 44.898 45.100 0.034 0.000 0.793 248 G HN 0.302 nan 8.290 nan 0.000 0.534 249 R N 1.349 121.855 120.500 0.011 0.000 3.956 249 R HA 0.602 4.942 4.340 -0.000 0.000 0.237 249 R C 0.223 176.587 176.300 0.105 0.000 1.552 249 R CA -0.420 55.672 56.100 -0.013 0.000 1.529 249 R CB -0.785 29.450 30.300 -0.107 0.000 1.376 249 R HN 0.152 nan 8.270 nan 0.000 0.733 250 A N 0.640 123.571 122.820 0.185 0.000 2.269 250 A HA 0.302 4.622 4.320 -0.000 0.000 0.319 250 A C 0.380 178.164 177.584 0.334 0.000 1.110 250 A CA -0.771 51.507 52.037 0.402 0.000 0.847 250 A CB 0.243 19.400 19.000 0.261 0.000 1.161 250 A HN 0.816 nan 8.150 nan 0.000 0.497 251 W N 0.469 121.873 121.300 0.172 0.000 2.413 251 W HA -0.015 4.645 4.660 -0.000 0.000 0.315 251 W C 0.196 176.602 176.519 -0.189 0.000 1.186 251 W CA 1.582 58.925 57.345 -0.002 0.000 1.326 251 W CB -0.349 29.081 29.460 -0.050 0.000 1.153 251 W HN 0.569 nan 8.180 nan 0.000 0.489 252 Y N 1.741 121.570 120.300 -0.785 0.000 2.301 252 Y HA 0.272 4.822 4.550 -0.000 0.000 0.328 252 Y C -1.784 173.679 175.900 -0.729 0.000 1.242 252 Y CA -3.086 54.465 58.100 -0.914 0.000 1.323 252 Y CB -0.090 37.879 38.460 -0.818 0.000 1.266 252 Y HN -0.260 nan 8.280 nan 0.000 0.527 253 P HA -0.100 nan 4.420 nan 0.000 0.258 253 P C 0.509 177.211 177.300 -0.997 0.000 1.172 253 P CA 0.555 62.871 63.100 -1.306 0.000 0.762 253 P CB 0.432 31.189 31.700 -1.572 0.000 0.764 254 V N 4.295 123.725 119.914 -0.808 0.000 3.383 254 V HA -0.090 4.030 4.120 -0.000 0.000 0.272 254 V C 0.484 176.507 176.094 -0.120 0.000 1.181 254 V CA 0.995 63.109 62.300 -0.311 0.000 1.171 254 V CB -1.110 30.631 31.823 -0.135 0.000 0.800 254 V HN 0.691 nan 8.190 nan 0.000 0.515 255 W N -0.858 120.419 121.300 -0.038 0.000 2.991 255 W HA 0.398 5.058 4.660 -0.000 0.000 0.391 255 W C 0.216 176.733 176.519 -0.004 0.000 1.054 255 W CA -1.434 55.899 57.345 -0.021 0.000 1.856 255 W CB -1.468 27.970 29.460 -0.036 0.000 1.132 255 W HN 0.102 nan 8.180 nan 0.000 0.601 256 N N 1.319 120.033 118.700 0.024 0.000 2.411 256 N HA 0.371 5.111 4.740 -0.000 0.000 0.259 256 N C 0.903 176.499 175.510 0.144 0.000 1.103 256 N CA 0.112 53.215 53.050 0.089 0.000 0.954 256 N CB 1.479 39.967 38.487 0.001 0.000 1.085 256 N HN 0.216 nan 8.380 nan 0.000 0.485 257 A N 2.269 125.208 122.820 0.199 0.000 2.267 257 A HA 0.307 4.627 4.320 -0.000 0.000 0.213 257 A C 1.434 179.162 177.584 0.241 0.000 1.192 257 A CA 0.360 52.544 52.037 0.244 0.000 0.851 257 A CB -0.172 19.037 19.000 0.347 0.000 0.881 257 A HN 0.811 nan 8.150 nan 0.000 0.494 258 G N -0.288 108.607 108.800 0.159 0.000 2.182 258 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.248 258 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.248 258 G C 0.891 175.788 174.900 -0.004 0.000 1.042 258 G CA 0.695 45.868 45.100 0.121 0.000 0.775 258 G HN 0.430 nan 8.290 nan 0.000 0.501 259 S N -0.209 115.456 115.700 -0.059 0.000 2.343 259 S HA -0.130 4.340 4.470 -0.000 0.000 0.219 259 S C 2.611 176.983 174.600 -0.380 0.000 1.033 259 S CA 2.170 60.202 58.200 -0.280 0.000 1.014 259 S CB -0.521 62.614 63.200 -0.107 0.000 0.915 259 S HN 0.744 nan 8.310 nan 0.000 0.435 260 T N 1.617 115.954 114.554 -0.362 0.000 2.620 260 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 260 T C 1.543 176.073 174.700 -0.283 0.000 1.044 260 T CA 2.109 63.983 62.100 -0.378 0.000 1.161 260 T CB -0.833 67.730 68.868 -0.508 0.000 0.862 260 T HN 0.541 nan 8.240 nan 0.000 0.438 261 Y N 1.382 121.617 120.300 -0.109 0.000 2.200 261 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 261 Y C 3.261 179.067 175.900 -0.156 0.000 1.137 261 Y CA 1.020 59.067 58.100 -0.089 0.000 1.163 261 Y CB -0.587 37.856 38.460 -0.028 0.000 0.988 261 Y HN 0.374 nan 8.280 nan 0.000 0.518 262 T N -2.691 111.802 114.554 -0.102 0.000 3.035 262 T HA -0.048 4.302 4.350 -0.000 0.000 0.259 262 T C 1.660 176.061 174.700 -0.498 0.000 1.078 262 T CA 0.556 62.449 62.100 -0.345 0.000 1.132 262 T CB -0.307 68.385 68.868 -0.294 0.000 0.900 262 T HN 0.239 nan 8.240 nan 0.000 0.480 263 M N 0.455 119.791 119.600 -0.441 0.000 2.229 263 M HA 0.034 4.514 4.480 -0.000 0.000 0.264 263 M C 2.247 178.392 176.300 -0.258 0.000 1.063 263 M CA 1.253 56.332 55.300 -0.369 0.000 1.114 263 M CB -0.384 31.997 32.600 -0.366 0.000 1.387 263 M HN 0.425 nan 8.290 nan 0.000 0.420 264 C N -0.860 118.317 119.300 -0.206 0.000 2.518 264 C HA 0.196 4.656 4.460 -0.000 0.000 0.283 264 C C 2.971 177.903 174.990 -0.096 0.000 1.351 264 C CA 0.447 59.391 59.018 -0.124 0.000 1.745 264 C CB -1.039 26.656 27.740 -0.074 0.000 2.107 264 C HN 0.604 nan 8.230 nan 0.000 0.502 265 A N 0.240 122.984 122.820 -0.127 0.000 1.902 265 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 265 A C 2.088 179.575 177.584 -0.162 0.000 1.181 265 A CA 1.781 53.765 52.037 -0.088 0.000 0.623 265 A CB -0.769 18.191 19.000 -0.067 0.000 0.818 265 A HN 0.698 nan 8.150 nan 0.000 0.443 266 Q N -1.098 118.411 119.800 -0.486 0.000 2.234 266 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 266 Q C 1.684 177.705 176.000 0.035 0.000 0.980 266 Q CA 1.446 56.990 55.803 -0.431 0.000 0.869 266 Q CB -0.124 28.288 28.738 -0.544 0.000 0.912 266 Q HN 0.438 nan 8.270 nan 0.000 0.436 267 V N -1.448 118.458 119.914 -0.013 0.000 3.649 267 V HA 0.158 4.278 4.120 -0.000 0.000 0.275 267 V C 0.928 177.057 176.094 0.059 0.000 1.281 267 V CA 1.209 63.524 62.300 0.025 0.000 1.143 267 V CB 0.630 32.434 31.823 -0.031 0.000 0.892 267 V HN 0.613 nan 8.190 nan 0.000 0.441 268 G N -0.256 108.607 108.800 0.105 0.000 2.184 268 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.206 268 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.206 268 G C 0.388 175.335 174.900 0.079 0.000 0.995 268 G CA 0.077 45.238 45.100 0.102 0.000 0.651 268 G HN 1.179 nan 8.290 nan 0.000 0.511 269 A N 0.331 123.182 122.820 0.052 0.000 2.498 269 A HA 0.524 4.844 4.320 -0.000 0.000 0.239 269 A C 0.506 178.144 177.584 0.089 0.000 1.068 269 A CA 0.884 52.947 52.037 0.043 0.000 0.766 269 A CB 0.239 19.242 19.000 0.006 0.000 1.003 269 A HN 0.690 nan 8.150 nan 0.000 0.497 270 E N 2.190 122.452 120.200 0.103 0.000 2.257 270 E HA 0.237 4.587 4.350 -0.000 0.000 0.278 270 E C -0.393 176.295 176.600 0.146 0.000 1.049 270 E CA -0.292 56.181 56.400 0.121 0.000 0.876 270 E CB 0.261 30.007 29.700 0.077 0.000 1.035 270 E HN 0.533 nan 8.360 nan 0.000 0.419 271 M N 3.040 122.711 119.600 0.119 0.000 2.277 271 M HA 0.219 4.699 4.480 -0.000 0.000 0.350 271 M C 0.062 176.433 176.300 0.118 0.000 1.180 271 M CA -0.206 55.157 55.300 0.105 0.000 1.103 271 M CB 1.217 33.865 32.600 0.081 0.000 1.577 271 M HN 0.430 nan 8.290 nan 0.000 0.459 272 T N 4.144 118.768 114.554 0.116 0.000 2.861 272 T HA 0.516 4.866 4.350 -0.000 0.000 0.287 272 T C 0.411 175.170 174.700 0.099 0.000 1.003 272 T CA -0.317 61.881 62.100 0.163 0.000 0.977 272 T CB 0.426 69.448 68.868 0.258 0.000 0.996 272 T HN 0.646 nan 8.240 nan 0.000 0.448 273 M N 3.973 123.702 119.600 0.216 0.000 2.576 273 M HA -0.159 4.321 4.480 -0.000 0.000 0.200 273 M C 0.741 177.069 176.300 0.047 0.000 0.487 273 M CA 0.462 55.894 55.300 0.220 0.000 0.553 273 M CB -2.069 30.660 32.600 0.216 0.000 2.042 273 M HN 0.687 nan 8.290 nan 0.000 0.758 274 M N 0.249 119.692 119.600 -0.261 0.000 2.446 274 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 274 M C 2.122 178.373 176.300 -0.083 0.000 1.066 274 M CA 1.820 56.851 55.300 -0.448 0.000 1.087 274 M CB -0.818 31.177 32.600 -1.008 0.000 1.406 274 M HN 0.544 nan 8.290 nan 0.000 0.459 275 E N -0.210 120.038 120.200 0.079 0.000 2.347 275 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 275 E C 0.379 177.114 176.600 0.225 0.000 1.008 275 E CA 0.271 56.721 56.400 0.083 0.000 0.852 275 E CB -0.831 29.004 29.700 0.225 0.000 0.783 275 E HN 0.526 nan 8.360 nan 0.000 0.505 276 N N 1.390 120.222 118.700 0.220 0.000 2.497 276 N HA 0.021 4.761 4.740 -0.000 0.000 0.268 276 N C -0.173 175.354 175.510 0.028 0.000 1.171 276 N CA -0.330 52.731 53.050 0.018 0.000 0.948 276 N CB 0.570 38.996 38.487 -0.101 0.000 1.069 276 N HN 0.178 nan 8.380 nan 0.000 0.460 277 R N 1.756 122.245 120.500 -0.018 0.000 2.960 277 R HA 0.625 4.965 4.340 -0.000 0.000 0.249 277 R C -1.513 174.635 176.300 -0.254 0.000 1.192 277 R CA -0.900 55.126 56.100 -0.124 0.000 1.035 277 R CB 0.885 31.117 30.300 -0.115 0.000 1.234 277 R HN 0.423 nan 8.270 nan 0.000 0.493 278 F N 1.093 120.697 119.950 -0.577 0.000 2.617 278 F HA 0.389 4.916 4.527 -0.000 0.000 0.325 278 F C -1.525 173.743 175.800 -0.888 0.000 1.179 278 F CA -1.184 56.276 58.000 -0.898 0.000 0.965 278 F CB 2.083 40.794 39.000 -0.483 0.000 1.232 278 F HN 0.356 nan 8.300 nan 0.000 0.461 279 V N 9.004 127.864 119.914 -1.757 0.000 2.304 279 V HA 0.677 4.797 4.120 -0.000 0.000 0.278 279 V C -2.585 172.763 176.094 -1.243 0.000 1.018 279 V CA -2.098 59.414 62.300 -1.314 0.000 0.814 279 V CB 0.945 32.263 31.823 -0.841 0.000 1.021 279 V HN 0.610 nan 8.190 nan 0.000 0.440 280 P HA 0.388 nan 4.420 nan 0.000 0.274 280 P C -0.604 176.360 177.300 -0.560 0.000 1.237 280 P CA -0.240 62.259 63.100 -1.003 0.000 0.793 280 P CB 1.606 32.512 31.700 -1.323 0.000 0.977 281 A N 3.175 125.800 122.820 -0.325 0.000 2.256 281 A HA 0.568 4.888 4.320 -0.000 0.000 0.317 281 A C 0.182 177.641 177.584 -0.207 0.000 1.318 281 A CA -0.490 51.418 52.037 -0.214 0.000 0.894 281 A CB 0.247 19.182 19.000 -0.109 0.000 1.165 281 A HN 0.351 nan 8.150 nan 0.000 0.525 282 R N 1.077 121.473 120.500 -0.174 0.000 2.950 282 R HA 0.532 4.872 4.340 -0.000 0.000 0.253 282 R C -0.657 175.640 176.300 -0.005 0.000 1.168 282 R CA -1.003 55.035 56.100 -0.104 0.000 1.014 282 R CB 0.198 30.508 30.300 0.017 0.000 1.228 282 R HN 0.609 nan 8.270 nan 0.000 0.487 283 F N 1.247 121.287 119.950 0.151 0.000 2.586 283 F HA 0.042 4.569 4.527 -0.000 0.000 0.344 283 F C 1.625 177.528 175.800 0.171 0.000 1.188 283 F CA 0.508 58.590 58.000 0.135 0.000 1.359 283 F CB 0.398 39.450 39.000 0.087 0.000 1.129 283 F HN 0.016 nan 8.300 nan 0.000 0.609 284 K N 1.976 122.592 120.400 0.360 0.000 2.350 284 K HA -0.005 4.315 4.320 -0.000 0.000 0.279 284 K C 0.090 176.748 176.600 0.096 0.000 1.027 284 K CA 0.026 56.459 56.287 0.243 0.000 0.969 284 K CB 0.480 33.092 32.500 0.187 0.000 0.954 284 K HN 0.726 nan 8.250 nan 0.000 0.474 285 D N 1.784 122.147 120.400 -0.062 0.000 3.429 285 D HA -0.214 4.426 4.640 -0.000 0.000 0.200 285 D C 1.096 177.048 176.300 -0.580 0.000 1.351 285 D CA 2.097 55.888 54.000 -0.349 0.000 2.227 285 D CB -1.216 39.504 40.800 -0.134 0.000 1.277 285 D HN 0.767 nan 8.370 nan 0.000 0.455 286 G N -0.391 108.234 108.800 -0.292 0.000 2.511 286 G HA2 0.001 3.961 3.960 -0.000 0.000 0.217 286 G HA3 0.001 3.961 3.960 -0.000 0.000 0.217 286 G C 0.649 175.492 174.900 -0.096 0.000 1.133 286 G CA 0.779 45.735 45.100 -0.240 0.000 0.792 286 G HN 0.627 nan 8.290 nan 0.000 0.539 287 Y N -0.715 119.641 120.300 0.094 0.000 3.825 287 Y HA -0.243 4.307 4.550 -0.000 0.000 0.221 287 Y C 1.627 177.664 175.900 0.229 0.000 1.195 287 Y CA -0.621 57.582 58.100 0.172 0.000 1.699 287 Y CB -1.739 36.867 38.460 0.243 0.000 1.531 287 Y HN 0.359 nan 8.280 nan 0.000 0.640 288 G N 1.277 110.249 108.800 0.286 0.000 2.503 288 G HA2 0.395 4.355 3.960 -0.000 0.000 0.257 288 G HA3 0.395 4.355 3.960 -0.000 0.000 0.257 288 G C -2.285 172.920 174.900 0.508 0.000 1.214 288 G CA -1.084 44.193 45.100 0.296 0.000 0.839 288 G HN 0.035 nan 8.290 nan 0.000 0.559 289 P HA 0.044 nan 4.420 nan 0.000 0.271 289 P C 1.113 178.650 177.300 0.396 0.000 1.220 289 P CA -0.160 63.178 63.100 0.396 0.000 0.768 289 P CB 1.306 33.213 31.700 0.345 0.000 0.848 290 V N 1.451 121.400 119.914 0.058 0.000 3.235 290 V HA 0.065 4.185 4.120 -0.000 0.000 0.259 290 V C 2.381 178.597 176.094 0.204 0.000 1.133 290 V CA 1.391 63.659 62.300 -0.053 0.000 1.128 290 V CB -1.715 29.878 31.823 -0.385 0.000 0.757 290 V HN 0.544 nan 8.190 nan 0.000 0.469 291 G N 1.383 110.265 108.800 0.137 0.000 2.721 291 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 291 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 291 G C 1.755 176.724 174.900 0.114 0.000 1.265 291 G CA 2.163 47.330 45.100 0.112 0.000 0.796 291 G HN 0.824 nan 8.290 nan 0.000 0.620 292 A N 0.191 122.977 122.820 -0.058 0.000 1.892 292 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 292 A C 2.253 179.727 177.584 -0.182 0.000 1.188 292 A CA 1.956 53.837 52.037 -0.261 0.000 0.631 292 A CB -0.957 17.706 19.000 -0.563 0.000 0.822 292 A HN 0.620 nan 8.150 nan 0.000 0.447 293 W N -1.424 119.966 121.300 0.150 0.000 2.392 293 W HA -0.067 4.593 4.660 -0.000 0.000 0.279 293 W C 1.997 178.671 176.519 0.257 0.000 1.225 293 W CA 0.679 58.193 57.345 0.281 0.000 1.233 293 W CB -0.509 29.187 29.460 0.393 0.000 1.122 293 W HN 0.472 nan 8.180 nan 0.000 0.561 294 F N 1.558 121.663 119.950 0.259 0.000 2.128 294 F HA -0.141 4.386 4.527 0.000 0.000 0.295 294 F C 2.090 177.930 175.800 0.067 0.000 1.100 294 F CA 1.766 59.860 58.000 0.157 0.000 1.260 294 F CB -0.445 38.616 39.000 0.101 0.000 1.009 294 F HN -0.135 nan 8.300 nan 0.000 0.476 295 L N -0.649 120.456 121.223 -0.196 0.000 2.307 295 L HA 0.162 4.502 4.340 -0.000 0.000 0.211 295 L C 1.659 178.327 176.870 -0.336 0.000 1.099 295 L CA 1.277 55.895 54.840 -0.370 0.000 0.816 295 L CB -1.322 40.653 42.059 -0.140 0.000 0.952 295 L HN 0.192 nan 8.230 nan 0.000 0.455 296 L N -1.278 119.715 121.223 -0.382 0.000 2.095 296 L HA 0.042 4.382 4.340 -0.000 0.000 0.204 296 L C 1.307 177.747 176.870 -0.717 0.000 1.080 296 L CA 1.174 55.608 54.840 -0.676 0.000 0.759 296 L CB -0.229 41.181 42.059 -1.082 0.000 0.914 296 L HN 0.246 nan 8.230 nan 0.000 0.439 297 F N -1.321 118.627 119.950 -0.004 0.000 2.724 297 F HA 0.252 4.779 4.527 -0.000 0.000 0.310 297 F C 0.476 176.260 175.800 -0.026 0.000 1.107 297 F CA -0.929 57.081 58.000 0.016 0.000 1.218 297 F CB -0.070 38.968 39.000 0.063 0.000 1.042 297 F HN -0.251 nan 8.300 nan 0.000 0.540 298 K N 0.985 121.367 120.400 -0.030 0.000 3.156 298 K HA -0.185 4.135 4.320 -0.000 0.000 0.266 298 K C 0.320 176.931 176.600 0.018 0.000 0.966 298 K CA 0.586 56.792 56.287 -0.134 0.000 0.719 298 K CB -1.425 31.010 32.500 -0.109 0.000 1.333 298 K HN 0.388 nan 8.250 nan 0.000 0.468 299 A N 1.449 124.347 122.820 0.129 0.000 2.366 299 A HA 0.508 4.828 4.320 -0.000 0.000 0.249 299 A C 0.224 177.976 177.584 0.279 0.000 1.084 299 A CA 0.173 52.336 52.037 0.208 0.000 0.794 299 A CB 0.432 19.599 19.000 0.279 0.000 1.034 299 A HN 0.340 nan 8.150 nan 0.000 0.491 300 K N 0.306 120.852 120.400 0.242 0.000 2.525 300 K HA 0.655 4.975 4.320 -0.000 0.000 0.254 300 K C -0.928 175.791 176.600 0.198 0.000 0.934 300 K CA -0.507 55.929 56.287 0.249 0.000 0.802 300 K CB 2.039 34.655 32.500 0.194 0.000 1.295 300 K HN 0.711 nan 8.250 nan 0.000 0.433 301 A N 2.493 125.420 122.820 0.178 0.000 2.410 301 A HA 0.297 4.617 4.320 -0.000 0.000 0.292 301 A C 0.367 178.102 177.584 0.252 0.000 1.232 301 A CA -0.148 52.018 52.037 0.215 0.000 0.893 301 A CB -0.586 18.560 19.000 0.244 0.000 1.131 301 A HN 0.769 nan 8.150 nan 0.000 0.530 302 T N 0.727 115.433 114.554 0.253 0.000 2.923 302 T HA 0.594 4.944 4.350 -0.000 0.000 0.281 302 T C 0.355 175.213 174.700 0.263 0.000 0.995 302 T CA -0.593 61.654 62.100 0.245 0.000 0.985 302 T CB 0.945 69.920 68.868 0.178 0.000 1.114 302 T HN 0.696 nan 8.240 nan 0.000 0.548 303 N N -0.981 117.842 118.700 0.204 0.000 2.823 303 N HA 0.176 4.916 4.740 -0.000 0.000 0.324 303 N C 1.720 177.279 175.510 0.082 0.000 1.336 303 N CA -0.398 52.726 53.050 0.122 0.000 0.861 303 N CB -0.329 38.204 38.487 0.078 0.000 1.157 303 N HN 0.942 nan 8.380 nan 0.000 0.585 304 C N -1.914 117.410 119.300 0.041 0.000 2.446 304 C HA 0.258 4.718 4.460 -0.000 0.000 0.279 304 C C 1.684 176.682 174.990 0.014 0.000 1.366 304 C CA 0.128 59.154 59.018 0.014 0.000 1.763 304 C CB -1.046 26.693 27.740 -0.001 0.000 1.929 304 C HN 0.629 nan 8.230 nan 0.000 0.509 305 K N 0.957 121.374 120.400 0.027 0.000 2.418 305 K HA 0.241 4.561 4.320 -0.000 0.000 0.195 305 K C 1.628 178.250 176.600 0.036 0.000 1.035 305 K CA 0.802 57.105 56.287 0.026 0.000 1.003 305 K CB -0.181 32.335 32.500 0.027 0.000 0.793 305 K HN 0.743 nan 8.250 nan 0.000 0.494 306 G N 2.645 111.477 108.800 0.054 0.000 2.141 306 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.231 306 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.231 306 G C -0.271 174.676 174.900 0.078 0.000 0.984 306 G CA 0.302 45.442 45.100 0.066 0.000 0.660 306 G HN 0.509 nan 8.290 nan 0.000 0.525 307 E N 0.276 120.527 120.200 0.085 0.000 2.248 307 E HA 0.523 4.873 4.350 -0.000 0.000 0.272 307 E C -1.016 175.647 176.600 0.105 0.000 1.008 307 E CA -0.981 55.468 56.400 0.081 0.000 0.856 307 E CB 1.512 31.252 29.700 0.066 0.000 1.120 307 E HN -0.009 nan 8.360 nan 0.000 0.397 308 D N 2.070 122.505 120.400 0.058 0.000 2.348 308 D HA -0.057 4.583 4.640 -0.000 0.000 0.259 308 D C 0.566 176.849 176.300 -0.029 0.000 1.296 308 D CA -0.209 53.785 54.000 -0.011 0.000 0.931 308 D CB -0.035 40.744 40.800 -0.035 0.000 1.067 308 D HN 0.577 nan 8.370 nan 0.000 0.503 309 Y N 1.272 121.585 120.300 0.023 0.000 2.483 309 Y HA -0.102 4.448 4.550 -0.000 0.000 0.291 309 Y C 2.011 177.910 175.900 -0.002 0.000 1.143 309 Y CA 0.236 58.340 58.100 0.006 0.000 1.289 309 Y CB -0.917 37.544 38.460 0.001 0.000 0.983 309 Y HN 0.316 nan 8.280 nan 0.000 0.556 310 C N 0.954 120.039 119.300 -0.358 0.000 2.440 310 C HA 0.049 4.509 4.460 -0.000 0.000 0.278 310 C C 3.145 178.087 174.990 -0.081 0.000 1.295 310 C CA 1.065 59.959 59.018 -0.207 0.000 1.738 310 C CB -1.425 26.140 27.740 -0.291 0.000 1.987 310 C HN 0.795 nan 8.230 nan 0.000 0.492 311 A N 0.001 122.778 122.820 -0.071 0.000 1.930 311 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 311 A C 2.187 179.770 177.584 -0.001 0.000 1.176 311 A CA 2.102 54.120 52.037 -0.030 0.000 0.632 311 A CB -0.884 18.102 19.000 -0.023 0.000 0.819 311 A HN 0.519 nan 8.150 nan 0.000 0.445 312 T N 1.009 115.574 114.554 0.019 0.000 2.821 312 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 312 T C 1.116 175.838 174.700 0.037 0.000 1.046 312 T CA 1.465 63.587 62.100 0.036 0.000 1.139 312 T CB -0.254 68.652 68.868 0.062 0.000 0.871 312 T HN 0.477 nan 8.240 nan 0.000 0.454 313 N N 0.599 119.329 118.700 0.049 0.000 2.251 313 N HA 0.229 4.969 4.740 -0.000 0.000 0.217 313 N C 1.379 176.915 175.510 0.043 0.000 1.124 313 N CA -0.118 52.960 53.050 0.045 0.000 0.843 313 N CB 0.086 38.608 38.487 0.059 0.000 1.024 313 N HN 0.288 nan 8.380 nan 0.000 0.501 314 R N 1.272 121.789 120.500 0.029 0.000 2.134 314 R HA -0.187 4.153 4.340 -0.000 0.000 0.248 314 R C 1.976 178.305 176.300 0.047 0.000 1.143 314 R CA 1.968 58.084 56.100 0.026 0.000 0.957 314 R CB -0.344 29.960 30.300 0.008 0.000 0.867 314 R HN 0.223 nan 8.270 nan 0.000 0.441 315 A N 0.679 123.525 122.820 0.043 0.000 2.042 315 A HA -0.239 4.081 4.320 -0.000 0.000 0.222 315 A C 2.098 179.732 177.584 0.083 0.000 1.167 315 A CA 1.836 53.903 52.037 0.050 0.000 0.649 315 A CB -0.544 18.477 19.000 0.035 0.000 0.809 315 A HN 0.300 nan 8.150 nan 0.000 0.457 316 M N -0.805 118.860 119.600 0.109 0.000 2.213 316 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 316 M C 1.727 178.190 176.300 0.272 0.000 1.062 316 M CA 1.147 56.565 55.300 0.197 0.000 1.105 316 M CB -0.444 32.276 32.600 0.201 0.000 1.385 316 M HN 0.372 nan 8.290 nan 0.000 0.417 317 L N -0.205 121.136 121.223 0.197 0.000 2.395 317 L HA -0.104 4.236 4.340 -0.000 0.000 0.218 317 L C 2.443 179.441 176.870 0.212 0.000 1.130 317 L CA 0.592 55.558 54.840 0.210 0.000 0.826 317 L CB -0.738 41.386 42.059 0.109 0.000 0.941 317 L HN 0.309 nan 8.230 nan 0.000 0.451 318 K N 1.410 121.890 120.400 0.133 0.000 2.032 318 K HA -0.215 4.105 4.320 -0.000 0.000 0.218 318 K C -0.602 176.024 176.600 0.042 0.000 1.054 318 K CA 2.130 58.461 56.287 0.074 0.000 0.941 318 K CB -0.937 31.589 32.500 0.043 0.000 0.720 318 K HN 0.168 nan 8.250 nan 0.000 0.449 319 P HA -0.105 nan 4.420 nan 0.000 0.228 319 P C 0.273 177.415 177.300 -0.264 0.000 1.151 319 P CA 1.202 64.191 63.100 -0.185 0.000 0.770 319 P CB -0.027 31.474 31.700 -0.331 0.000 0.786 320 Y N 0.120 120.426 120.300 0.009 0.000 2.396 320 Y HA -0.000 4.550 4.550 -0.000 0.000 0.292 320 Y C 2.439 178.410 175.900 0.118 0.000 1.128 320 Y CA 0.538 58.659 58.100 0.035 0.000 1.194 320 Y CB -0.626 37.803 38.460 -0.052 0.000 1.124 320 Y HN 0.036 nan 8.280 nan 0.000 0.543 321 E N 0.516 120.844 120.200 0.214 0.000 2.358 321 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 321 E C 1.232 177.882 176.600 0.083 0.000 1.010 321 E CA 0.999 57.480 56.400 0.135 0.000 0.856 321 E CB -0.238 29.519 29.700 0.095 0.000 0.795 321 E HN 0.546 nan 8.360 nan 0.000 0.504 322 E N 0.872 121.112 120.200 0.066 0.000 2.216 322 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 322 E C 1.668 178.288 176.600 0.033 0.000 0.988 322 E CA 0.319 56.738 56.400 0.033 0.000 0.834 322 E CB 0.119 29.826 29.700 0.011 0.000 0.772 322 E HN 0.211 nan 8.360 nan 0.000 0.479 323 R N -0.249 120.296 120.500 0.074 0.000 2.334 323 R HA 0.092 4.432 4.340 -0.000 0.000 0.220 323 R C 0.569 176.870 176.300 0.002 0.000 0.917 323 R CA 0.410 56.563 56.100 0.089 0.000 1.073 323 R CB 0.641 31.061 30.300 0.199 0.000 1.056 323 R HN 0.111 nan 8.270 nan 0.000 0.506 324 G N 0.673 109.474 108.800 0.003 0.000 2.289 324 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.280 324 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.280 324 G C -0.048 174.718 174.900 -0.223 0.000 1.089 324 G CA -0.057 44.986 45.100 -0.094 0.000 0.939 324 G HN 0.449 nan 8.290 nan 0.000 0.499 325 Y N -0.809 119.513 120.300 0.036 0.000 2.444 325 Y HA 0.578 5.128 4.550 -0.000 0.000 0.252 325 Y C 1.583 177.493 175.900 0.017 0.000 1.091 325 Y CA 0.810 58.928 58.100 0.029 0.000 1.276 325 Y CB 0.930 39.423 38.460 0.055 0.000 1.170 325 Y HN 0.778 nan 8.280 nan 0.000 0.517 326 A N 0.407 123.319 122.820 0.154 0.000 2.475 326 A HA 0.757 5.077 4.320 -0.000 0.000 0.301 326 A C -1.200 176.421 177.584 0.062 0.000 1.059 326 A CA -0.752 51.339 52.037 0.090 0.000 0.710 326 A CB 1.645 20.691 19.000 0.077 0.000 1.288 326 A HN 0.060 nan 8.150 nan 0.000 0.408 327 K N 1.205 121.636 120.400 0.050 0.000 2.687 327 K HA 0.513 4.833 4.320 -0.000 0.000 0.249 327 K C 0.561 177.189 176.600 0.046 0.000 0.994 327 K CA 0.637 56.950 56.287 0.042 0.000 0.913 327 K CB 1.057 33.581 32.500 0.039 0.000 1.202 327 K HN 2.158 nan 8.250 nan 0.000 0.460 328 G N 2.806 111.620 108.800 0.023 0.000 2.565 328 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.295 328 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.295 328 G C 0.633 175.510 174.900 -0.037 0.000 1.165 328 G CA 0.266 45.365 45.100 -0.002 0.000 0.977 328 G HN 0.769 nan 8.290 nan 0.000 0.546 329 H N 0.221 119.308 119.070 0.028 0.000 2.559 329 H HA 0.209 4.765 4.556 -0.000 0.000 0.273 329 H C 0.986 176.332 175.328 0.030 0.000 1.000 329 H CA 1.194 57.259 56.048 0.028 0.000 1.195 329 H CB -0.005 29.776 29.762 0.033 0.000 1.368 329 H HN 0.175 nan 8.280 nan 0.000 0.592 330 V N 2.797 122.785 119.914 0.124 0.000 2.334 330 V HA 0.163 4.283 4.120 -0.000 0.000 0.267 330 V C -0.070 176.058 176.094 0.057 0.000 1.040 330 V CA -0.186 62.170 62.300 0.093 0.000 0.866 330 V CB 0.657 32.535 31.823 0.092 0.000 1.019 330 V HN 0.069 nan 8.190 nan 0.000 0.468 331 I N 7.767 128.362 120.570 0.042 0.000 2.436 331 I HA 0.468 4.638 4.170 -0.000 0.000 0.289 331 I C -2.207 173.914 176.117 0.006 0.000 1.010 331 I CA -2.118 59.190 61.300 0.012 0.000 1.098 331 I CB 2.152 40.146 38.000 -0.009 0.000 1.266 331 I HN 0.388 nan 8.210 nan 0.000 0.434 332 P HA 0.060 nan 4.420 nan 0.000 0.266 332 P C 0.674 177.936 177.300 -0.063 0.000 1.195 332 P CA -0.023 63.064 63.100 -0.022 0.000 0.768 332 P CB 0.574 32.245 31.700 -0.048 0.000 0.838 333 T N 1.733 116.289 114.554 0.004 0.000 2.721 333 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 333 T C 1.682 176.295 174.700 -0.145 0.000 1.038 333 T CA 2.139 64.263 62.100 0.040 0.000 1.145 333 T CB -0.884 68.132 68.868 0.247 0.000 0.858 333 T HN 0.698 nan 8.240 nan 0.000 0.459 334 C N 1.291 120.277 119.300 -0.523 0.000 2.453 334 C HA 0.126 4.586 4.460 -0.000 0.000 0.277 334 C C 2.493 177.170 174.990 -0.520 0.000 1.262 334 C CA 0.070 58.444 59.018 -1.074 0.000 1.718 334 C CB -1.703 25.130 27.740 -1.512 0.000 2.031 334 C HN 0.476 nan 8.230 nan 0.000 0.480 335 L N 0.579 121.563 121.223 -0.399 0.000 2.265 335 L HA -0.069 4.271 4.340 -0.000 0.000 0.215 335 L C 3.217 180.038 176.870 -0.082 0.000 1.117 335 L CA 1.344 56.010 54.840 -0.290 0.000 0.782 335 L CB -0.675 41.169 42.059 -0.358 0.000 0.914 335 L HN 0.437 nan 8.230 nan 0.000 0.441 336 R N 0.982 121.434 120.500 -0.079 0.000 2.073 336 R HA -0.133 4.207 4.340 -0.000 0.000 0.229 336 R C 1.818 178.150 176.300 0.054 0.000 1.120 336 R CA 1.730 57.829 56.100 -0.002 0.000 0.967 336 R CB -0.096 30.200 30.300 -0.007 0.000 0.862 336 R HN 0.616 nan 8.270 nan 0.000 0.436 337 N N -1.296 117.414 118.700 0.016 0.000 2.336 337 N HA -0.123 4.617 4.740 -0.000 0.000 0.189 337 N C 1.376 176.898 175.510 0.020 0.000 1.113 337 N CA 0.085 53.150 53.050 0.025 0.000 0.858 337 N CB -0.016 38.471 38.487 -0.000 0.000 0.970 337 N HN 0.277 nan 8.380 nan 0.000 0.471 338 H N 1.388 120.411 119.070 -0.078 0.000 2.389 338 H HA 0.061 4.617 4.556 -0.000 0.000 0.299 338 H C 2.063 177.407 175.328 0.028 0.000 1.081 338 H CA 1.702 57.740 56.048 -0.016 0.000 1.345 338 H CB 0.077 29.768 29.762 -0.119 0.000 1.393 338 H HN 0.144 nan 8.280 nan 0.000 0.520 339 M N -0.665 118.904 119.600 -0.053 0.000 2.099 339 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 339 M C 2.556 178.840 176.300 -0.027 0.000 1.067 339 M CA 1.718 56.995 55.300 -0.038 0.000 1.124 339 M CB -0.224 32.451 32.600 0.124 0.000 1.353 339 M HN 0.410 nan 8.290 nan 0.000 0.410 340 M N 0.438 120.040 119.600 0.003 0.000 2.149 340 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 340 M C 1.792 177.955 176.300 -0.229 0.000 1.064 340 M CA 1.479 56.621 55.300 -0.263 0.000 1.102 340 M CB -0.012 32.487 32.600 -0.169 0.000 1.369 340 M HN 0.162 nan 8.290 nan 0.000 0.408 341 L N 0.237 121.386 121.223 -0.124 0.000 2.131 341 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 341 L C 2.457 179.201 176.870 -0.210 0.000 1.092 341 L CA 1.708 56.490 54.840 -0.097 0.000 0.759 341 L CB -1.115 40.958 42.059 0.023 0.000 0.903 341 L HN 0.365 nan 8.230 nan 0.000 0.435 342 R N -0.399 119.965 120.500 -0.226 0.000 2.070 342 R HA -0.196 4.144 4.340 -0.000 0.000 0.233 342 R C 2.119 178.301 176.300 -0.197 0.000 1.137 342 R CA 1.396 57.361 56.100 -0.223 0.000 0.945 342 R CB -0.114 30.073 30.300 -0.188 0.000 0.845 342 R HN 0.125 nan 8.270 nan 0.000 0.430 343 E N 0.349 120.437 120.200 -0.186 0.000 2.147 343 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 343 E C 1.896 178.404 176.600 -0.153 0.000 1.005 343 E CA 1.910 58.207 56.400 -0.172 0.000 0.810 343 E CB -0.084 29.457 29.700 -0.265 0.000 0.736 343 E HN 0.408 nan 8.360 nan 0.000 0.460 344 M N -0.715 118.785 119.600 -0.168 0.000 2.115 344 M HA -0.070 4.410 4.480 -0.000 0.000 0.261 344 M C 2.215 178.407 176.300 -0.180 0.000 1.079 344 M CA 1.656 56.895 55.300 -0.101 0.000 1.143 344 M CB -0.188 32.412 32.600 0.000 0.000 1.332 344 M HN 0.018 nan 8.290 nan 0.000 0.421 345 R N 0.240 120.471 120.500 -0.449 0.000 2.237 345 R HA -0.100 4.240 4.340 -0.000 0.000 0.219 345 R C 1.342 177.472 176.300 -0.284 0.000 1.080 345 R CA 1.464 57.177 56.100 -0.645 0.000 0.995 345 R CB -0.433 29.305 30.300 -0.937 0.000 0.875 345 R HN 0.399 nan 8.270 nan 0.000 0.462 346 E N -0.086 119.994 120.200 -0.200 0.000 2.474 346 E HA 0.105 4.455 4.350 -0.000 0.000 0.195 346 E C 0.304 176.858 176.600 -0.076 0.000 1.039 346 E CA 0.385 56.711 56.400 -0.123 0.000 0.881 346 E CB 0.470 30.102 29.700 -0.113 0.000 0.970 346 E HN 0.610 nan 8.360 nan 0.000 0.486 347 G N 1.643 110.404 108.800 -0.066 0.000 2.141 347 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.242 347 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.242 347 G C 0.710 175.594 174.900 -0.026 0.000 0.982 347 G CA 0.212 45.294 45.100 -0.029 0.000 0.662 347 G HN 0.255 nan 8.290 nan 0.000 0.527 348 R N 0.585 121.061 120.500 -0.039 0.000 2.391 348 R HA 0.340 4.680 4.340 -0.000 0.000 0.249 348 R C 1.708 177.994 176.300 -0.024 0.000 0.957 348 R CA 0.273 56.356 56.100 -0.028 0.000 1.093 348 R CB 0.248 30.530 30.300 -0.029 0.000 1.156 348 R HN 0.386 nan 8.270 nan 0.000 0.526 349 G N 2.075 110.863 108.800 -0.019 0.000 2.621 349 G HA2 0.252 4.212 3.960 -0.000 0.000 0.271 349 G HA3 0.252 4.212 3.960 -0.000 0.000 0.271 349 G C -2.207 172.702 174.900 0.014 0.000 1.236 349 G CA -0.837 44.263 45.100 -0.001 0.000 0.958 349 G HN -0.010 nan 8.290 nan 0.000 0.512 350 P HA 0.387 nan 4.420 nan 0.000 0.284 350 P C -0.656 176.709 177.300 0.108 0.000 1.258 350 P CA -0.626 62.518 63.100 0.073 0.000 0.824 350 P CB 1.464 33.228 31.700 0.106 0.000 1.038 351 I N 2.391 123.021 120.570 0.101 0.000 2.363 351 I HA 0.135 4.305 4.170 -0.000 0.000 0.292 351 I C -0.087 176.167 176.117 0.228 0.000 1.075 351 I CA -0.151 61.221 61.300 0.119 0.000 1.333 351 I CB -0.355 37.645 38.000 0.000 0.000 1.415 351 I HN 0.295 nan 8.210 nan 0.000 0.502 352 Y N 7.168 127.535 120.300 0.112 0.000 2.376 352 Y HA 0.488 5.038 4.550 -0.000 0.000 0.340 352 Y C -0.289 175.700 175.900 0.147 0.000 0.965 352 Y CA -1.046 57.126 58.100 0.120 0.000 1.078 352 Y CB 1.556 40.063 38.460 0.078 0.000 1.193 352 Y HN 0.363 nan 8.280 nan 0.000 0.452 353 M N 5.168 124.667 119.600 -0.169 0.000 2.261 353 M HA 0.075 4.555 4.480 -0.000 0.000 0.349 353 M C -0.672 175.539 176.300 -0.149 0.000 1.305 353 M CA -0.233 55.049 55.300 -0.030 0.000 1.240 353 M CB -0.054 32.623 32.600 0.127 0.000 1.394 353 M HN 0.687 nan 8.290 nan 0.000 0.438 354 D N 2.747 123.204 120.400 0.094 0.000 2.441 354 D HA 0.007 4.647 4.640 -0.000 0.000 0.243 354 D C 1.403 177.727 176.300 0.040 0.000 1.257 354 D CA 0.208 54.294 54.000 0.143 0.000 1.027 354 D CB 0.603 41.530 40.800 0.211 0.000 1.084 354 D HN 0.604 nan 8.370 nan 0.000 0.514 355 T N 0.406 114.921 114.554 -0.065 0.000 3.067 355 T HA -0.086 4.264 4.350 -0.000 0.000 0.261 355 T C 1.770 176.384 174.700 -0.144 0.000 1.110 355 T CA 0.471 62.508 62.100 -0.106 0.000 1.113 355 T CB 0.098 68.818 68.868 -0.247 0.000 0.917 355 T HN 0.190 nan 8.240 nan 0.000 0.499 356 K N 2.276 122.610 120.400 -0.110 0.000 2.001 356 K HA -0.160 4.160 4.320 -0.000 0.000 0.214 356 K C 2.447 178.999 176.600 -0.079 0.000 1.050 356 K CA 2.501 58.728 56.287 -0.100 0.000 0.934 356 K CB -0.974 31.499 32.500 -0.044 0.000 0.718 356 K HN 0.547 nan 8.250 nan 0.000 0.443 357 T N -2.077 112.461 114.554 -0.028 0.000 2.896 357 T HA 0.092 4.442 4.350 -0.000 0.000 0.263 357 T C 2.048 176.740 174.700 -0.013 0.000 1.050 357 T CA 0.811 62.905 62.100 -0.009 0.000 1.140 357 T CB -0.511 68.370 68.868 0.022 0.000 0.877 357 T HN 0.233 nan 8.240 nan 0.000 0.457 358 A N 1.255 124.071 122.820 -0.006 0.000 1.969 358 A HA 0.243 4.563 4.320 -0.000 0.000 0.218 358 A C 2.382 179.947 177.584 -0.032 0.000 1.169 358 A CA 0.940 52.990 52.037 0.022 0.000 0.635 358 A CB -0.835 18.211 19.000 0.077 0.000 0.810 358 A HN 0.519 nan 8.150 nan 0.000 0.445 359 L N -0.309 120.797 121.223 -0.195 0.000 2.131 359 L HA -0.202 4.138 4.340 -0.000 0.000 0.206 359 L C 3.008 179.630 176.870 -0.412 0.000 1.087 359 L CA 1.506 56.031 54.840 -0.525 0.000 0.767 359 L CB -0.385 41.192 42.059 -0.805 0.000 0.917 359 L HN 0.721 nan 8.230 nan 0.000 0.441 360 Q N -0.768 118.924 119.800 -0.180 0.000 2.230 360 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 360 Q C 1.830 177.867 176.000 0.061 0.000 0.963 360 Q CA 1.758 57.549 55.803 -0.021 0.000 0.866 360 Q CB -0.461 28.275 28.738 -0.002 0.000 0.931 360 Q HN 0.500 nan 8.270 nan 0.000 0.452 361 T N -0.711 113.870 114.554 0.045 0.000 2.851 361 T HA -0.090 4.260 4.350 -0.000 0.000 0.262 361 T C 2.267 177.040 174.700 0.123 0.000 1.043 361 T CA 1.194 63.340 62.100 0.076 0.000 1.140 361 T CB -0.436 68.468 68.868 0.059 0.000 0.872 361 T HN 0.434 nan 8.240 nan 0.000 0.446 362 S N 0.999 116.790 115.700 0.152 0.000 2.387 362 S HA 0.034 4.504 4.470 -0.000 0.000 0.226 362 S C 1.814 176.637 174.600 0.371 0.000 1.026 362 S CA 0.266 58.612 58.200 0.243 0.000 0.972 362 S CB -0.954 62.441 63.200 0.323 0.000 0.814 362 S HN 0.279 nan 8.310 nan 0.000 0.477 363 F N 2.917 122.942 119.950 0.126 0.000 2.161 363 F HA 0.166 4.693 4.527 -0.000 0.000 0.300 363 F C 2.781 178.627 175.800 0.078 0.000 1.089 363 F CA -0.081 57.980 58.000 0.101 0.000 1.282 363 F CB -1.303 37.728 39.000 0.052 0.000 1.010 363 F HN 0.346 nan 8.300 nan 0.000 0.485 364 A N -0.796 122.177 122.820 0.254 0.000 2.216 364 A HA -0.106 4.214 4.320 -0.000 0.000 0.214 364 A C 1.675 179.324 177.584 0.108 0.000 1.160 364 A CA 1.731 53.854 52.037 0.145 0.000 0.725 364 A CB -1.154 17.914 19.000 0.114 0.000 0.784 364 A HN 0.368 nan 8.150 nan 0.000 0.472 365 T N -3.392 111.238 114.554 0.127 0.000 3.228 365 T HA 0.643 4.993 4.350 -0.000 0.000 0.278 365 T C 0.073 174.824 174.700 0.085 0.000 1.014 365 T CA -0.413 61.742 62.100 0.093 0.000 0.904 365 T CB -0.503 68.419 68.868 0.090 0.000 1.110 365 T HN 0.285 nan 8.240 nan 0.000 0.541 366 M N 1.056 120.702 119.600 0.078 0.000 2.575 366 M HA 0.554 5.034 4.480 -0.000 0.000 0.284 366 M C -0.240 176.057 176.300 -0.003 0.000 1.253 366 M CA -1.057 54.272 55.300 0.048 0.000 0.861 366 M CB 2.384 35.031 32.600 0.078 0.000 1.733 366 M HN 0.114 nan 8.290 nan 0.000 0.462 367 S N 0.676 116.367 115.700 -0.015 0.000 2.614 367 S HA 0.387 4.857 4.470 -0.000 0.000 0.265 367 S C -1.884 172.674 174.600 -0.070 0.000 1.303 367 S CA -0.942 57.238 58.200 -0.034 0.000 1.000 367 S CB 0.415 63.598 63.200 -0.028 0.000 0.935 367 S HN 0.592 nan 8.310 nan 0.000 0.551 368 P HA -0.134 nan 4.420 nan 0.000 0.216 368 P C 1.367 178.627 177.300 -0.066 0.000 1.150 368 P CA 1.982 65.032 63.100 -0.083 0.000 0.843 368 P CB -0.346 31.324 31.700 -0.050 0.000 0.787 369 A N -0.203 122.596 122.820 -0.034 0.000 1.968 369 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 369 A C 2.434 180.038 177.584 0.033 0.000 1.169 369 A CA 1.278 53.316 52.037 0.001 0.000 0.638 369 A CB -1.307 17.690 19.000 -0.005 0.000 0.812 369 A HN 0.174 nan 8.150 nan 0.000 0.446 370 Q N -1.090 118.712 119.800 0.003 0.000 2.230 370 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 370 Q C 2.113 178.147 176.000 0.057 0.000 0.963 370 Q CA 1.369 57.197 55.803 0.042 0.000 0.866 370 Q CB -0.043 28.709 28.738 0.024 0.000 0.931 370 Q HN 0.699 nan 8.270 nan 0.000 0.452 371 Q N 0.437 120.175 119.800 -0.104 0.000 2.020 371 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 371 Q C 1.752 177.728 176.000 -0.041 0.000 0.982 371 Q CA 1.630 57.224 55.803 -0.348 0.000 0.838 371 Q CB 0.119 28.456 28.738 -0.667 0.000 0.899 371 Q HN 0.182 nan 8.270 nan 0.000 0.423 372 K N -1.084 119.327 120.400 0.019 0.000 2.097 372 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 372 K C 2.034 178.738 176.600 0.175 0.000 1.049 372 K CA 1.417 57.765 56.287 0.102 0.000 0.933 372 K CB -0.211 32.328 32.500 0.065 0.000 0.717 372 K HN 0.311 nan 8.250 nan 0.000 0.442 373 H N 0.287 119.420 119.070 0.106 0.000 2.326 373 H HA -0.023 4.533 4.556 -0.000 0.000 0.301 373 H C 1.778 177.219 175.328 0.188 0.000 1.081 373 H CA 1.269 57.392 56.048 0.126 0.000 1.334 373 H CB 0.233 30.052 29.762 0.095 0.000 1.385 373 H HN -0.025 nan 8.280 nan 0.000 0.504 374 L N 0.576 122.024 121.223 0.374 0.000 2.179 374 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 374 L C 2.250 179.415 176.870 0.491 0.000 1.096 374 L CA 1.404 56.459 54.840 0.360 0.000 0.779 374 L CB -0.946 41.344 42.059 0.384 0.000 0.922 374 L HN 0.497 nan 8.230 nan 0.000 0.443 375 E N 0.079 120.628 120.200 0.581 0.000 2.107 375 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 375 E C 2.105 178.999 176.600 0.489 0.000 0.982 375 E CA 1.026 57.796 56.400 0.616 0.000 0.809 375 E CB 0.302 30.371 29.700 0.616 0.000 0.756 375 E HN 0.390 nan 8.360 nan 0.000 0.459 376 A N 0.854 123.862 122.820 0.313 0.000 2.066 376 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 376 A C 1.813 179.503 177.584 0.176 0.000 1.157 376 A CA 0.919 53.093 52.037 0.229 0.000 0.670 376 A CB -0.230 18.827 19.000 0.094 0.000 0.804 376 A HN 0.243 nan 8.150 nan 0.000 0.453 377 E N -0.255 120.017 120.200 0.119 0.000 2.072 377 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 377 E C 2.266 178.783 176.600 -0.138 0.000 0.982 377 E CA 0.924 57.349 56.400 0.043 0.000 0.803 377 E CB -0.185 29.532 29.700 0.028 0.000 0.755 377 E HN 0.607 nan 8.360 nan 0.000 0.453 378 A N 0.115 122.766 122.820 -0.281 0.000 1.970 378 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 378 A C 1.625 178.798 177.584 -0.685 0.000 1.170 378 A CA 0.517 52.062 52.037 -0.820 0.000 0.645 378 A CB -0.761 17.264 19.000 -1.625 0.000 0.816 378 A HN 0.317 nan 8.150 nan 0.000 0.447 379 W N 0.099 121.291 121.300 -0.180 0.000 2.425 379 W HA -0.024 4.636 4.660 0.000 0.000 0.277 379 W C 2.166 178.692 176.519 0.012 0.000 1.231 379 W CA 1.204 58.599 57.345 0.084 0.000 1.248 379 W CB 0.133 29.747 29.460 0.257 0.000 1.117 379 W HN 0.471 nan 8.180 nan 0.000 0.568 380 E N 0.121 120.424 120.200 0.172 0.000 2.268 380 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 380 E C 1.586 178.201 176.600 0.026 0.000 0.995 380 E CA 0.973 57.448 56.400 0.124 0.000 0.836 380 E CB -0.198 29.574 29.700 0.120 0.000 0.763 380 E HN 0.171 nan 8.360 nan 0.000 0.491 381 D N -0.864 119.441 120.400 -0.159 0.000 2.310 381 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 381 D C 1.199 177.483 176.300 -0.025 0.000 0.965 381 D CA 0.795 54.674 54.000 -0.202 0.000 0.879 381 D CB 0.118 40.664 40.800 -0.423 0.000 0.921 381 D HN 0.302 nan 8.370 nan 0.000 0.510 382 F N -0.516 119.490 119.950 0.093 0.000 2.315 382 F HA -0.017 4.510 4.527 -0.000 0.000 0.284 382 F C 1.958 177.828 175.800 0.116 0.000 1.049 382 F CA -0.492 57.559 58.000 0.085 0.000 1.323 382 F CB -0.006 39.016 39.000 0.036 0.000 1.113 382 F HN -0.162 nan 8.300 nan 0.000 0.544 383 L N 0.312 121.753 121.223 0.364 0.000 2.549 383 L HA -0.161 4.179 4.340 -0.000 0.000 0.230 383 L C 1.021 177.998 176.870 0.178 0.000 1.162 383 L CA 1.497 56.494 54.840 0.261 0.000 0.834 383 L CB -0.936 41.281 42.059 0.263 0.000 0.947 383 L HN 0.079 nan 8.230 nan 0.000 0.452 384 D N -1.953 118.544 120.400 0.163 0.000 2.422 384 D HA 0.101 4.741 4.640 -0.000 0.000 0.218 384 D C 1.893 178.264 176.300 0.118 0.000 1.047 384 D CA 0.654 54.728 54.000 0.124 0.000 0.885 384 D CB 0.416 41.278 40.800 0.103 0.000 1.035 384 D HN 0.417 nan 8.370 nan 0.000 0.502 385 M N -2.557 117.124 119.600 0.135 0.000 2.193 385 M HA 0.368 4.848 4.480 -0.000 0.000 0.365 385 M C -0.196 176.169 176.300 0.108 0.000 0.877 385 M CA -0.212 55.156 55.300 0.113 0.000 1.077 385 M CB 1.598 34.269 32.600 0.117 0.000 1.967 385 M HN -0.085 nan 8.290 nan 0.000 0.668 386 C N 1.511 120.906 119.300 0.158 0.000 3.354 386 C HA 0.446 4.906 4.460 -0.000 0.000 0.314 386 C C 1.293 176.339 174.990 0.093 0.000 1.019 386 C CA -0.519 58.570 59.018 0.119 0.000 1.293 386 C CB 0.146 27.987 27.740 0.168 0.000 1.747 386 C HN 0.422 nan 8.230 nan 0.000 0.580 387 V N 3.561 123.520 119.914 0.075 0.000 2.515 387 V HA 0.028 4.148 4.120 -0.000 0.000 0.250 387 V C 2.681 178.773 176.094 -0.003 0.000 1.058 387 V CA 2.544 64.888 62.300 0.073 0.000 1.064 387 V CB -0.946 30.924 31.823 0.077 0.000 0.675 387 V HN 0.898 nan 8.190 nan 0.000 0.461 388 G N -0.189 108.590 108.800 -0.035 0.000 2.505 388 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.220 388 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.220 388 G C 1.532 176.329 174.900 -0.173 0.000 1.145 388 G CA 1.384 46.438 45.100 -0.077 0.000 0.761 388 G HN 0.515 nan 8.290 nan 0.000 0.571 389 Q N 0.652 120.265 119.800 -0.312 0.000 2.084 389 Q HA 0.134 4.474 4.340 -0.000 0.000 0.202 389 Q C 2.687 178.244 176.000 -0.739 0.000 0.978 389 Q CA 1.920 57.322 55.803 -0.669 0.000 0.844 389 Q CB -0.643 27.408 28.738 -1.144 0.000 0.898 389 Q HN 0.395 nan 8.270 nan 0.000 0.426 390 A N 0.375 122.939 122.820 -0.427 0.000 1.933 390 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 390 A C 1.967 179.626 177.584 0.124 0.000 1.175 390 A CA 1.574 53.626 52.037 0.025 0.000 0.628 390 A CB -0.716 18.489 19.000 0.342 0.000 0.814 390 A HN 0.441 nan 8.150 nan 0.000 0.444 391 N N -0.260 118.460 118.700 0.033 0.000 2.104 391 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 391 N C 1.620 177.161 175.510 0.052 0.000 1.024 391 N CA 1.528 54.607 53.050 0.049 0.000 0.853 391 N CB -0.438 38.057 38.487 0.015 0.000 1.008 391 N HN 0.416 nan 8.380 nan 0.000 0.424 392 L N -0.175 121.043 121.223 -0.007 0.000 2.056 392 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 392 L C 1.837 178.816 176.870 0.182 0.000 1.078 392 L CA 1.366 56.224 54.840 0.030 0.000 0.749 392 L CB -0.679 41.349 42.059 -0.052 0.000 0.901 392 L HN 0.155 nan 8.230 nan 0.000 0.433 393 W N -0.187 121.071 121.300 -0.069 0.000 2.381 393 W HA -0.005 4.655 4.660 -0.000 0.000 0.301 393 W C 2.657 179.212 176.519 0.060 0.000 1.205 393 W CA 1.379 58.707 57.345 -0.029 0.000 1.285 393 W CB -1.304 28.145 29.460 -0.018 0.000 1.133 393 W HN 0.304 nan 8.180 nan 0.000 0.521 394 A N 0.148 123.166 122.820 0.329 0.000 1.933 394 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 394 A C 2.160 179.815 177.584 0.118 0.000 1.175 394 A CA 2.541 54.697 52.037 0.199 0.000 0.628 394 A CB -1.051 18.045 19.000 0.159 0.000 0.814 394 A HN 0.128 nan 8.150 nan 0.000 0.444 395 A N -0.790 122.093 122.820 0.105 0.000 2.067 395 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 395 A C 2.040 179.655 177.584 0.051 0.000 1.156 395 A CA 1.880 53.955 52.037 0.063 0.000 0.683 395 A CB -0.667 18.362 19.000 0.049 0.000 0.808 395 A HN 0.721 nan 8.150 nan 0.000 0.455 396 T N -4.554 110.037 114.554 0.062 0.000 3.092 396 T HA 0.154 4.504 4.350 -0.000 0.000 0.258 396 T C 0.570 175.270 174.700 -0.000 0.000 1.031 396 T CA 0.278 62.395 62.100 0.028 0.000 0.925 396 T CB -0.155 68.730 68.868 0.028 0.000 1.036 396 T HN 0.364 nan 8.240 nan 0.000 0.544 397 N N -0.411 118.300 118.700 0.018 0.000 2.815 397 N HA -0.156 4.584 4.740 -0.000 0.000 0.247 397 N C -0.163 175.306 175.510 -0.068 0.000 1.030 397 N CA 0.892 53.940 53.050 -0.003 0.000 0.881 397 N CB -2.251 36.230 38.487 -0.010 0.000 1.134 397 N HN 0.560 nan 8.380 nan 0.000 0.582 398 C N 2.002 121.213 119.300 -0.148 0.000 3.506 398 C HA 0.439 4.899 4.460 -0.000 0.000 0.578 398 C C 1.564 176.211 174.990 -0.572 0.000 1.153 398 C CA -0.679 58.093 59.018 -0.409 0.000 1.248 398 C CB -2.122 25.246 27.740 -0.620 0.000 1.532 398 C HN 0.405 nan 8.230 nan 0.000 0.646 399 A N 2.843 125.525 122.820 -0.230 0.000 2.520 399 A HA 0.305 4.625 4.320 -0.000 0.000 0.245 399 A C -0.758 176.612 177.584 -0.358 0.000 1.072 399 A CA -0.616 51.360 52.037 -0.101 0.000 0.761 399 A CB 0.196 19.232 19.000 0.060 0.000 1.004 399 A HN 0.447 nan 8.150 nan 0.000 0.499 400 P HA -0.182 nan 4.420 nan 0.000 0.217 400 P C 0.768 177.843 177.300 -0.375 0.000 1.148 400 P CA 1.656 64.357 63.100 -0.665 0.000 0.828 400 P CB 0.163 31.419 31.700 -0.741 0.000 0.783 401 E N 0.068 120.142 120.200 -0.210 0.000 2.106 401 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 401 E C 1.895 178.419 176.600 -0.127 0.000 0.984 401 E CA 1.384 57.690 56.400 -0.156 0.000 0.806 401 E CB -0.731 28.949 29.700 -0.033 0.000 0.750 401 E HN 0.576 nan 8.360 nan 0.000 0.458 402 E N 0.622 120.747 120.200 -0.125 0.000 2.307 402 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 402 E C 0.819 177.351 176.600 -0.113 0.000 0.975 402 E CA 0.018 56.361 56.400 -0.095 0.000 0.878 402 E CB 0.170 29.832 29.700 -0.062 0.000 0.845 402 E HN 0.120 nan 8.360 nan 0.000 0.488 403 R N -0.098 120.290 120.500 -0.187 0.000 2.664 403 R HA 0.469 4.809 4.340 -0.000 0.000 0.266 403 R C -0.524 175.597 176.300 -0.298 0.000 1.046 403 R CA -0.570 55.438 56.100 -0.154 0.000 0.885 403 R CB 0.812 31.065 30.300 -0.078 0.000 1.254 403 R HN 0.019 nan 8.270 nan 0.000 0.465 404 G N 0.558 109.254 108.800 -0.174 0.000 2.535 404 G HA2 0.518 4.478 3.960 -0.000 0.000 0.282 404 G HA3 0.518 4.478 3.960 -0.000 0.000 0.282 404 G C -0.988 173.538 174.900 -0.625 0.000 1.350 404 G CA -0.729 44.093 45.100 -0.463 0.000 1.039 404 G HN 0.526 nan 8.290 nan 0.000 0.509 405 S N -1.251 113.999 115.700 -0.749 0.000 2.570 405 S HA 0.375 4.845 4.470 -0.000 0.000 0.286 405 S C -0.648 173.806 174.600 -0.243 0.000 1.099 405 S CA -0.650 57.312 58.200 -0.397 0.000 0.913 405 S CB 2.274 65.311 63.200 -0.272 0.000 1.085 405 S HN 0.698 nan 8.310 nan 0.000 0.480 406 E N 1.345 121.581 120.200 0.060 0.000 2.366 406 E HA 0.377 4.727 4.350 -0.000 0.000 0.266 406 E C -0.977 175.788 176.600 0.275 0.000 1.051 406 E CA -0.246 56.271 56.400 0.196 0.000 0.884 406 E CB 0.534 30.378 29.700 0.240 0.000 1.006 406 E HN 0.459 nan 8.360 nan 0.000 0.417 407 I N 3.527 124.212 120.570 0.191 0.000 2.525 407 I HA 0.411 4.581 4.170 -0.000 0.000 0.301 407 I C -0.158 176.020 176.117 0.102 0.000 0.992 407 I CA -0.776 60.596 61.300 0.120 0.000 1.162 407 I CB 1.586 39.598 38.000 0.020 0.000 1.332 407 I HN 0.550 nan 8.210 nan 0.000 0.458 408 M N 7.203 126.854 119.600 0.085 0.000 2.465 408 M HA 0.458 4.938 4.480 -0.000 0.000 0.284 408 M C -2.855 173.447 176.300 0.003 0.000 1.212 408 M CA -1.464 53.882 55.300 0.076 0.000 0.910 408 M CB 3.092 35.777 32.600 0.143 0.000 1.725 408 M HN 0.130 nan 8.290 nan 0.000 0.477 409 P HA 0.271 nan 4.420 nan 0.000 0.285 409 P C -0.819 176.414 177.300 -0.113 0.000 1.259 409 P CA -0.219 62.822 63.100 -0.098 0.000 0.794 409 P CB 0.620 32.290 31.700 -0.051 0.000 0.940 410 T N -0.072 114.272 114.554 -0.349 0.000 2.770 410 T HA 0.188 4.538 4.350 -0.000 0.000 0.281 410 T C 0.531 175.008 174.700 -0.370 0.000 0.981 410 T CA -0.696 61.111 62.100 -0.489 0.000 0.955 410 T CB 0.291 68.681 68.868 -0.797 0.000 1.060 410 T HN 0.497 nan 8.240 nan 0.000 0.531 411 E N 0.902 120.848 120.200 -0.424 0.000 2.398 411 E HA 0.174 4.524 4.350 -0.000 0.000 0.263 411 E C -2.590 173.519 176.600 -0.818 0.000 1.046 411 E CA -2.147 53.994 56.400 -0.433 0.000 0.908 411 E CB -0.390 29.155 29.700 -0.258 0.000 0.963 411 E HN 0.417 nan 8.360 nan 0.000 0.431 412 P HA 0.037 nan 4.420 nan 0.000 0.267 412 P C -1.070 175.844 177.300 -0.642 0.000 1.205 412 P CA 0.487 63.154 63.100 -0.722 0.000 0.765 412 P CB -0.059 31.196 31.700 -0.741 0.000 0.828 413 Y N 1.295 121.447 120.300 -0.247 0.000 2.567 413 Y HA 0.568 5.118 4.550 -0.000 0.000 0.333 413 Y C 0.584 176.397 175.900 -0.145 0.000 1.106 413 Y CA -1.340 56.690 58.100 -0.117 0.000 1.157 413 Y CB 1.588 40.003 38.460 -0.076 0.000 1.277 413 Y HN 0.049 nan 8.280 nan 0.000 0.490 414 L N 3.950 125.242 121.223 0.116 0.000 2.343 414 L HA 0.628 4.968 4.340 -0.000 0.000 0.278 414 L C -1.419 175.534 176.870 0.137 0.000 0.996 414 L CA -0.789 54.065 54.840 0.023 0.000 0.831 414 L CB 1.190 43.230 42.059 -0.030 0.000 1.232 414 L HN 0.483 nan 8.230 nan 0.000 0.413 415 L N 0.589 121.849 121.223 0.062 0.000 2.671 415 L HA 0.868 5.208 4.340 -0.000 0.000 0.259 415 L C 0.151 177.050 176.870 0.049 0.000 1.021 415 L CA -0.398 54.503 54.840 0.101 0.000 0.871 415 L CB 1.471 43.454 42.059 -0.127 0.000 1.472 415 L HN 0.330 nan 8.230 nan 0.000 0.410 416 G N -1.235 107.617 108.800 0.086 0.000 3.104 416 G HA2 0.200 4.160 3.960 -0.000 0.000 0.237 416 G HA3 0.200 4.160 3.960 -0.000 0.000 0.237 416 G C 0.728 175.594 174.900 -0.057 0.000 1.035 416 G CA 0.694 45.804 45.100 0.016 0.000 0.844 416 G HN 0.861 nan 8.290 nan 0.000 0.531 417 S N -0.935 114.731 115.700 -0.057 0.000 2.475 417 S HA 0.217 4.687 4.470 -0.000 0.000 0.224 417 S C 1.106 175.473 174.600 -0.387 0.000 1.042 417 S CA 0.033 58.159 58.200 -0.124 0.000 0.935 417 S CB -0.019 63.194 63.200 0.021 0.000 0.801 417 S HN 0.389 nan 8.310 nan 0.000 0.509 418 H N 2.417 121.225 119.070 -0.437 0.000 2.689 418 H HA 0.458 5.014 4.556 -0.000 0.000 0.240 418 H C 0.688 175.454 175.328 -0.938 0.000 1.561 418 H CA 0.715 56.355 56.048 -0.680 0.000 1.600 418 H CB 0.607 30.203 29.762 -0.275 0.000 1.620 418 H HN 0.310 nan 8.280 nan 0.000 0.865 419 S N -0.124 114.975 115.700 -1.001 0.000 3.227 419 S HA 0.329 4.799 4.470 -0.000 0.000 0.249 419 S C 0.368 174.584 174.600 -0.640 0.000 1.322 419 S CA 0.048 57.627 58.200 -1.035 0.000 1.253 419 S CB -0.836 61.872 63.200 -0.821 0.000 1.076 419 S HN 0.730 nan 8.310 nan 0.000 0.471 420 G N -0.392 108.148 108.800 -0.434 0.000 2.708 420 G HA2 0.514 4.474 3.960 -0.000 0.000 0.289 420 G HA3 0.514 4.474 3.960 -0.000 0.000 0.289 420 G C -0.666 174.155 174.900 -0.132 0.000 1.416 420 G CA -0.399 44.581 45.100 -0.199 0.000 0.829 420 G HN 0.904 nan 8.290 nan 0.000 0.480 421 C N -0.748 118.506 119.300 -0.077 0.000 3.202 421 C HA 0.574 5.034 4.460 -0.000 0.000 0.237 421 C C 0.492 175.467 174.990 -0.026 0.000 2.183 421 C CA -1.273 57.725 59.018 -0.033 0.000 1.352 421 C CB -1.858 25.896 27.740 0.023 0.000 2.502 421 C HN 1.044 nan 8.230 nan 0.000 0.524 422 C N 0.584 119.842 119.300 -0.070 0.000 2.358 422 C HA 1.054 5.514 4.460 -0.000 0.000 0.342 422 C C 0.933 175.805 174.990 -0.197 0.000 1.234 422 C CA 0.815 59.746 59.018 -0.144 0.000 1.969 422 C CB 0.517 28.127 27.740 -0.215 0.000 2.346 422 C HN 1.591 nan 8.230 nan 0.000 0.525 423 G N 2.061 110.732 108.800 -0.215 0.000 2.600 423 G HA2 0.355 4.315 3.960 -0.000 0.000 0.103 423 G HA3 0.355 4.315 3.960 -0.000 0.000 0.103 423 G C -1.540 173.374 174.900 0.024 0.000 1.090 423 G CA -0.563 44.504 45.100 -0.056 0.000 1.090 423 G HN 0.853 nan 8.290 nan 0.000 0.500 424 I N 0.717 121.345 120.570 0.096 0.000 2.441 424 I HA 0.335 4.505 4.170 -0.000 0.000 0.295 424 I C -0.184 175.978 176.117 0.075 0.000 0.994 424 I CA -0.636 60.721 61.300 0.096 0.000 1.144 424 I CB 2.095 40.145 38.000 0.083 0.000 1.314 424 I HN 0.564 nan 8.210 nan 0.000 0.445 425 W N 7.072 128.332 121.300 -0.067 0.000 2.591 425 W HA 0.417 5.077 4.660 0.000 0.000 0.330 425 W C -0.607 175.853 176.519 -0.097 0.000 1.435 425 W CA -0.290 56.994 57.345 -0.101 0.000 1.350 425 W CB 0.482 29.900 29.460 -0.070 0.000 1.434 425 W HN 0.561 nan 8.180 nan 0.000 0.553 426 A N 4.650 127.205 122.820 -0.442 0.000 2.330 426 A HA 0.481 4.801 4.320 -0.000 0.000 0.329 426 A C -0.311 177.014 177.584 -0.432 0.000 1.135 426 A CA -0.577 51.268 52.037 -0.319 0.000 0.817 426 A CB 1.472 20.347 19.000 -0.208 0.000 1.269 426 A HN 0.538 nan 8.150 nan 0.000 0.469 427 S N -0.146 115.425 115.700 -0.216 0.000 2.585 427 S HA 0.493 4.963 4.470 -0.000 0.000 0.273 427 S C 0.775 175.289 174.600 -0.143 0.000 1.339 427 S CA 0.157 58.273 58.200 -0.141 0.000 1.028 427 S CB 0.354 63.534 63.200 -0.033 0.000 0.906 427 S HN 1.308 nan 8.310 nan 0.000 0.528 428 G N 2.583 111.311 108.800 -0.120 0.000 2.580 428 G HA2 0.402 4.362 3.960 -0.000 0.000 0.278 428 G HA3 0.402 4.362 3.960 -0.000 0.000 0.278 428 G C -2.026 172.827 174.900 -0.079 0.000 1.212 428 G CA -1.261 43.772 45.100 -0.113 0.000 0.939 428 G HN 0.562 nan 8.290 nan 0.000 0.513 429 P HA 0.010 nan 4.420 nan 0.000 0.225 429 P C 0.062 177.324 177.300 -0.063 0.000 1.148 429 P CA 1.255 64.342 63.100 -0.022 0.000 0.779 429 P CB 0.176 31.911 31.700 0.059 0.000 0.780 430 D N -0.738 119.573 120.400 -0.148 0.000 3.061 430 D HA -0.136 4.504 4.640 -0.000 0.000 0.252 430 D C -0.825 175.390 176.300 -0.141 0.000 1.080 430 D CA 0.705 54.624 54.000 -0.135 0.000 0.871 430 D CB -1.517 39.231 40.800 -0.086 0.000 1.018 430 D HN 0.243 nan 8.370 nan 0.000 0.425 431 E N -0.840 119.203 120.200 -0.261 0.000 2.433 431 E HA 0.678 5.028 4.350 -0.000 0.000 0.278 431 E C 0.884 177.309 176.600 -0.291 0.000 0.976 431 E CA -0.504 55.771 56.400 -0.209 0.000 0.793 431 E CB 0.852 30.488 29.700 -0.107 0.000 1.311 431 E HN 0.075 nan 8.360 nan 0.000 0.460 432 A N 1.773 124.538 122.820 -0.092 0.000 1.927 432 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 432 A C 1.577 179.122 177.584 -0.066 0.000 1.185 432 A CA 1.932 53.940 52.037 -0.048 0.000 0.639 432 A CB -0.785 18.242 19.000 0.045 0.000 0.820 432 A HN 0.822 nan 8.150 nan 0.000 0.451 433 W N -0.235 121.029 121.300 -0.060 0.000 2.825 433 W HA 0.318 4.978 4.660 -0.000 0.000 0.243 433 W C -0.545 175.916 176.519 -0.097 0.000 1.293 433 W CA 0.301 57.594 57.345 -0.088 0.000 1.403 433 W CB -1.040 28.353 29.460 -0.113 0.000 1.134 433 W HN 0.034 nan 8.180 nan 0.000 0.666 434 V N 3.836 123.353 119.914 -0.662 0.000 2.394 434 V HA 0.236 4.356 4.120 -0.000 0.000 0.282 434 V C -1.823 174.041 176.094 -0.382 0.000 1.031 434 V CA -1.993 59.944 62.300 -0.605 0.000 0.881 434 V CB 0.961 32.315 31.823 -0.781 0.000 0.982 434 V HN -0.350 nan 8.190 nan 0.000 0.451 435 P HA 0.063 nan 4.420 nan 0.000 0.267 435 P C 0.746 177.846 177.300 -0.335 0.000 1.200 435 P CA -0.015 62.748 63.100 -0.562 0.000 0.772 435 P CB 0.839 31.816 31.700 -1.204 0.000 0.855 436 E N 1.905 121.950 120.200 -0.259 0.000 2.085 436 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 436 E C 0.835 177.436 176.600 0.002 0.000 0.994 436 E CA 1.820 58.155 56.400 -0.108 0.000 0.801 436 E CB -0.625 29.027 29.700 -0.079 0.000 0.743 436 E HN 0.343 nan 8.360 nan 0.000 0.453 437 D N -0.942 119.464 120.400 0.010 0.000 2.392 437 D HA -0.115 4.525 4.640 -0.000 0.000 0.228 437 D C 0.768 177.417 176.300 0.581 0.000 1.003 437 D CA 0.642 54.794 54.000 0.253 0.000 0.917 437 D CB -0.108 40.892 40.800 0.333 0.000 0.890 437 D HN 0.474 nan 8.370 nan 0.000 0.532 438 Y N 0.116 120.505 120.300 0.148 0.000 2.449 438 Y HA 0.135 4.685 4.550 -0.000 0.000 0.254 438 Y C 0.757 176.670 175.900 0.023 0.000 1.140 438 Y CA -0.297 57.884 58.100 0.135 0.000 1.272 438 Y CB 0.767 39.208 38.460 -0.032 0.000 1.114 438 Y HN -0.274 nan 8.280 nan 0.000 0.525 439 K N -0.113 120.397 120.400 0.184 0.000 2.156 439 K HA 0.280 4.600 4.320 -0.000 0.000 0.254 439 K C 0.374 177.060 176.600 0.144 0.000 0.950 439 K CA -0.391 55.947 56.287 0.084 0.000 0.849 439 K CB 2.771 35.277 32.500 0.009 0.000 1.100 439 K HN -0.173 nan 8.250 nan 0.000 0.434 440 V N 1.423 121.403 119.914 0.110 0.000 2.273 440 V HA -0.080 4.040 4.120 -0.000 0.000 0.242 440 V C 0.583 176.736 176.094 0.100 0.000 1.035 440 V CA 0.755 63.130 62.300 0.125 0.000 1.013 440 V CB -0.649 31.218 31.823 0.073 0.000 0.652 440 V HN 1.004 nan 8.190 nan 0.000 0.452 441 R N -0.469 120.086 120.500 0.092 0.000 2.022 441 R HA -0.117 4.223 4.340 -0.000 0.000 0.372 441 R C -0.317 176.053 176.300 0.117 0.000 1.161 441 R CA 0.303 56.455 56.100 0.085 0.000 0.928 441 R CB -1.185 29.145 30.300 0.051 0.000 2.817 441 R HN 0.586 nan 8.270 nan 0.000 0.489 442 A N 3.774 126.709 122.820 0.193 0.000 2.267 442 A HA 0.657 4.977 4.320 -0.000 0.000 0.271 442 A C 1.477 179.157 177.584 0.162 0.000 1.131 442 A CA 0.209 52.386 52.037 0.232 0.000 0.818 442 A CB 0.193 19.467 19.000 0.455 0.000 1.118 442 A HN 1.183 nan 8.150 nan 0.000 0.501 443 A N 0.043 122.955 122.820 0.153 0.000 2.172 443 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 443 A C 1.468 179.104 177.584 0.087 0.000 1.154 443 A CA 1.619 53.717 52.037 0.102 0.000 0.701 443 A CB -0.831 18.225 19.000 0.093 0.000 0.789 443 A HN 0.947 nan 8.150 nan 0.000 0.465 444 N N -1.201 117.567 118.700 0.114 0.000 2.461 444 N HA 0.216 4.956 4.740 -0.000 0.000 0.188 444 N C 1.111 176.631 175.510 0.016 0.000 1.134 444 N CA 1.412 54.490 53.050 0.047 0.000 0.878 444 N CB -0.195 38.299 38.487 0.011 0.000 0.972 444 N HN 0.644 nan 8.380 nan 0.000 0.456 445 G N 0.127 108.950 108.800 0.037 0.000 2.345 445 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 445 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 445 G C -0.096 174.795 174.900 -0.015 0.000 1.058 445 G CA 0.263 45.367 45.100 0.005 0.000 0.632 445 G HN 0.727 nan 8.290 nan 0.000 0.508 446 K N 0.654 121.027 120.400 -0.044 0.000 2.098 446 K HA 0.749 5.069 4.320 -0.000 0.000 0.257 446 K C -0.355 176.150 176.600 -0.158 0.000 0.999 446 K CA -0.304 55.897 56.287 -0.144 0.000 0.924 446 K CB 2.815 35.162 32.500 -0.255 0.000 1.028 446 K HN 0.923 nan 8.250 nan 0.000 0.466 447 V N 2.313 122.100 119.914 -0.211 0.000 2.448 447 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 447 V C -1.776 174.225 176.094 -0.154 0.000 1.025 447 V CA -0.680 61.566 62.300 -0.090 0.000 0.859 447 V CB 0.408 32.219 31.823 -0.020 0.000 0.988 447 V HN 0.675 nan 8.190 nan 0.000 0.431 448 Y N 4.756 125.154 120.300 0.164 0.000 2.328 448 Y HA 0.388 4.938 4.550 -0.000 0.000 0.337 448 Y C 0.888 176.907 175.900 0.198 0.000 1.008 448 Y CA -0.317 57.935 58.100 0.253 0.000 1.129 448 Y CB 0.918 39.700 38.460 0.536 0.000 1.185 448 Y HN 0.784 nan 8.280 nan 0.000 0.476 449 N N 2.191 121.067 118.700 0.295 0.000 2.407 449 N HA -0.036 4.704 4.740 -0.000 0.000 0.250 449 N C 0.387 176.074 175.510 0.295 0.000 1.236 449 N CA 0.099 53.265 53.050 0.194 0.000 0.879 449 N CB 0.311 38.870 38.487 0.120 0.000 1.088 449 N HN 0.707 nan 8.380 nan 0.000 0.450 450 R N 0.266 120.850 120.500 0.139 0.000 3.922 450 R HA -0.184 4.156 4.340 -0.000 0.000 0.447 450 R C -0.291 176.022 176.300 0.022 0.000 1.035 450 R CA 0.843 57.020 56.100 0.128 0.000 1.289 450 R CB -2.164 28.263 30.300 0.211 0.000 1.906 450 R HN 0.733 nan 8.270 nan 0.000 0.540 451 M N 0.874 120.331 119.600 -0.239 0.000 2.242 451 M HA 0.150 4.630 4.480 -0.000 0.000 0.344 451 M C 0.951 176.981 176.300 -0.449 0.000 1.140 451 M CA 0.491 55.264 55.300 -0.878 0.000 1.160 451 M CB 0.819 32.795 32.600 -1.040 0.000 1.491 451 M HN 0.307 nan 8.290 nan 0.000 0.459 452 T N -0.349 113.930 114.554 -0.459 0.000 2.788 452 T HA 0.175 4.525 4.350 -0.000 0.000 0.280 452 T C 1.166 175.773 174.700 -0.155 0.000 0.984 452 T CA -0.115 61.863 62.100 -0.203 0.000 0.972 452 T CB 0.576 69.347 68.868 -0.163 0.000 1.039 452 T HN 0.814 nan 8.240 nan 0.000 0.530 453 T N -1.701 112.845 114.554 -0.014 0.000 3.155 453 T HA 0.086 4.436 4.350 -0.000 0.000 0.264 453 T C 0.552 175.216 174.700 -0.060 0.000 1.160 453 T CA -0.131 61.971 62.100 0.002 0.000 1.075 453 T CB -0.605 68.294 68.868 0.050 0.000 0.921 453 T HN 0.423 nan 8.240 nan 0.000 0.533 454 V N 1.905 121.739 119.914 -0.134 0.000 2.350 454 V HA 0.321 4.441 4.120 -0.000 0.000 0.276 454 V C 0.239 176.161 176.094 -0.287 0.000 1.028 454 V CA -1.128 61.080 62.300 -0.155 0.000 0.860 454 V CB 0.982 32.727 31.823 -0.129 0.000 0.990 454 V HN 0.338 nan 8.190 nan 0.000 0.453 455 E N 3.673 123.749 120.200 -0.207 0.000 2.729 455 E HA 0.261 4.611 4.350 -0.000 0.000 0.246 455 E C 1.259 177.541 176.600 -0.530 0.000 0.984 455 E CA 1.632 57.880 56.400 -0.253 0.000 0.951 455 E CB -0.044 29.657 29.700 0.002 0.000 0.914 455 E HN 0.987 nan 8.360 nan 0.000 0.509 456 G N 3.002 111.039 108.800 -1.271 0.000 2.195 456 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 456 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 456 G C -0.229 174.207 174.900 -0.772 0.000 0.984 456 G CA 0.108 44.395 45.100 -1.355 0.000 0.633 456 G HN 0.520 nan 8.290 nan 0.000 0.525 457 L N 1.499 122.307 121.223 -0.693 0.000 2.282 457 L HA 0.807 5.147 4.340 -0.000 0.000 0.288 457 L C -0.162 176.424 176.870 -0.473 0.000 1.033 457 L CA -1.459 53.150 54.840 -0.385 0.000 0.807 457 L CB 0.375 42.279 42.059 -0.258 0.000 1.209 457 L HN 0.192 nan 8.230 nan 0.000 0.423 458 W N 3.674 124.816 121.300 -0.262 0.000 2.719 458 W HA 0.603 5.263 4.660 0.000 0.000 0.352 458 W C -0.311 176.116 176.519 -0.153 0.000 1.085 458 W CA -0.596 56.627 57.345 -0.202 0.000 1.187 458 W CB 2.391 31.727 29.460 -0.207 0.000 1.417 458 W HN 0.451 nan 8.180 nan 0.000 0.557 459 T N 1.017 115.642 114.554 0.117 0.000 2.883 459 T HA 0.668 5.018 4.350 -0.000 0.000 0.301 459 T C -1.067 173.669 174.700 0.060 0.000 1.158 459 T CA -0.211 61.916 62.100 0.045 0.000 1.007 459 T CB 0.870 69.735 68.868 -0.006 0.000 1.186 459 T HN 0.619 nan 8.240 nan 0.000 0.499 460 C N 1.664 120.977 119.300 0.022 0.000 3.239 460 C HA 0.938 5.398 4.460 -0.000 0.000 0.329 460 C C 0.021 175.017 174.990 0.010 0.000 1.252 460 C CA -0.265 58.765 59.018 0.020 0.000 1.323 460 C CB 0.333 28.080 27.740 0.012 0.000 1.663 460 C HN 2.324 nan 8.230 nan 0.000 0.487 461 A N 2.312 125.146 122.820 0.024 0.000 1.442 461 A HA 0.216 4.536 4.320 -0.000 0.000 0.220 461 A C 0.779 178.382 177.584 0.031 0.000 1.100 461 A CA 1.417 53.475 52.037 0.035 0.000 0.549 461 A CB -1.404 17.623 19.000 0.045 0.000 1.361 461 A HN 2.619 nan 8.150 nan 0.000 0.179 462 D N -0.350 120.078 120.400 0.046 0.000 2.880 462 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 462 D C 1.287 177.644 176.300 0.095 0.000 1.059 462 D CA 3.590 57.637 54.000 0.078 0.000 1.019 462 D CB -1.304 39.547 40.800 0.085 0.000 1.112 462 D HN 1.690 nan 8.370 nan 0.000 0.424 463 G N -0.471 108.362 108.800 0.054 0.000 2.651 463 G HA2 0.273 4.233 3.960 -0.000 0.000 0.207 463 G HA3 0.273 4.233 3.960 -0.000 0.000 0.207 463 G C 0.602 175.575 174.900 0.122 0.000 1.131 463 G CA 0.489 45.631 45.100 0.070 0.000 0.816 463 G HN 0.736 nan 8.290 nan 0.000 0.534 464 V N 0.964 120.908 119.914 0.050 0.000 2.455 464 V HA 0.737 4.857 4.120 -0.000 0.000 0.273 464 V C 0.646 176.732 176.094 -0.014 0.000 1.045 464 V CA -0.514 61.785 62.300 -0.003 0.000 0.976 464 V CB 0.527 32.319 31.823 -0.050 0.000 0.993 464 V HN 0.217 nan 8.190 nan 0.000 0.475 465 G N 3.406 112.186 108.800 -0.033 0.000 2.580 465 G HA2 0.586 4.546 3.960 -0.000 0.000 0.278 465 G HA3 0.586 4.546 3.960 -0.000 0.000 0.278 465 G C 0.823 175.658 174.900 -0.108 0.000 1.212 465 G CA -0.387 44.685 45.100 -0.047 0.000 0.939 465 G HN 2.433 nan 8.290 nan 0.000 0.513 466 A N -1.217 121.567 122.820 -0.060 0.000 2.816 466 A HA -0.051 4.269 4.320 -0.000 0.000 0.270 466 A C 0.963 178.512 177.584 -0.057 0.000 1.413 466 A CA 1.672 53.680 52.037 -0.047 0.000 0.866 466 A CB -2.071 16.794 19.000 -0.225 0.000 1.032 466 A HN 2.315 nan 8.150 nan 0.000 0.642 467 S N -1.701 113.965 115.700 -0.056 0.000 2.564 467 S HA 0.586 5.056 4.470 -0.000 0.000 0.141 467 S C 0.436 175.008 174.600 -0.046 0.000 1.474 467 S CA 0.353 58.523 58.200 -0.049 0.000 1.236 467 S CB 0.208 63.368 63.200 -0.066 0.000 1.481 467 S HN 1.861 nan 8.310 nan 0.000 0.397 468 G N 0.895 109.674 108.800 -0.036 0.000 2.553 468 G HA2 0.441 4.401 3.960 -0.000 0.000 0.278 468 G HA3 0.441 4.401 3.960 -0.000 0.000 0.278 468 G C 0.319 175.177 174.900 -0.070 0.000 1.349 468 G CA -0.609 44.444 45.100 -0.079 0.000 1.037 468 G HN 0.839 nan 8.290 nan 0.000 0.508 469 H N -1.397 117.378 119.070 -0.491 0.000 2.820 469 H HA -0.150 4.406 4.556 -0.000 0.000 0.295 469 H C 1.568 176.674 175.328 -0.369 0.000 1.187 469 H CA 1.112 56.752 56.048 -0.679 0.000 1.144 469 H CB -0.836 28.825 29.762 -0.168 0.000 1.354 469 H HN 0.610 nan 8.280 nan 0.000 0.395 470 K N -0.234 119.985 120.400 -0.302 0.000 2.007 470 K HA 0.036 4.356 4.320 -0.000 0.000 0.206 470 K C 0.759 177.429 176.600 0.116 0.000 1.047 470 K CA 1.260 57.546 56.287 -0.002 0.000 0.937 470 K CB 0.141 32.641 32.500 0.001 0.000 0.718 470 K HN 0.137 nan 8.250 nan 0.000 0.438 471 F N -0.837 119.164 119.950 0.085 0.000 2.183 471 F HA -0.383 4.144 4.527 0.000 0.000 0.318 471 F C 1.847 177.743 175.800 0.160 0.000 0.130 471 F CA 0.269 58.332 58.000 0.104 0.000 0.912 471 F CB -1.227 37.816 39.000 0.072 0.000 4.134 471 F HN 0.246 nan 8.300 nan 0.000 0.138 472 S N -0.082 115.864 115.700 0.410 0.000 2.369 472 S HA -0.284 4.186 4.470 -0.000 0.000 0.225 472 S C 2.017 176.832 174.600 0.359 0.000 1.043 472 S CA 2.218 60.590 58.200 0.288 0.000 1.074 472 S CB -1.174 62.194 63.200 0.280 0.000 0.962 472 S HN 1.148 nan 8.310 nan 0.000 0.433 473 S N 2.019 117.984 115.700 0.442 0.000 2.356 473 S HA 0.046 4.516 4.470 -0.000 0.000 0.223 473 S C 2.173 177.000 174.600 0.379 0.000 1.032 473 S CA 1.081 59.590 58.200 0.515 0.000 1.005 473 S CB -1.708 61.740 63.200 0.414 0.000 0.867 473 S HN 0.770 nan 8.310 nan 0.000 0.449 474 G N 1.024 110.007 108.800 0.305 0.000 2.422 474 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.218 474 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.218 474 G C 1.569 176.595 174.900 0.209 0.000 1.140 474 G CA 0.862 46.100 45.100 0.231 0.000 0.775 474 G HN 0.567 nan 8.290 nan 0.000 0.545 475 S N -0.171 115.660 115.700 0.218 0.000 2.356 475 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 475 S C 1.975 176.690 174.600 0.191 0.000 1.032 475 S CA 1.437 59.739 58.200 0.169 0.000 1.005 475 S CB -0.453 62.838 63.200 0.151 0.000 0.867 475 S HN 0.671 nan 8.310 nan 0.000 0.449 476 H N 1.628 120.814 119.070 0.195 0.000 2.319 476 H HA -0.075 4.481 4.556 -0.000 0.000 0.297 476 H C 2.128 177.556 175.328 0.168 0.000 1.097 476 H CA 1.810 57.997 56.048 0.231 0.000 1.285 476 H CB -0.468 29.562 29.762 0.446 0.000 1.368 476 H HN 0.338 nan 8.280 nan 0.000 0.495 477 A N 0.355 123.342 122.820 0.278 0.000 1.908 477 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 477 A C 2.318 179.938 177.584 0.060 0.000 1.181 477 A CA 1.899 54.036 52.037 0.167 0.000 0.627 477 A CB -0.701 18.402 19.000 0.173 0.000 0.818 477 A HN 0.695 nan 8.150 nan 0.000 0.445 478 E N -0.689 119.553 120.200 0.069 0.000 2.110 478 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 478 E C 2.067 178.658 176.600 -0.016 0.000 0.988 478 E CA 0.906 57.322 56.400 0.027 0.000 0.804 478 E CB -0.402 29.328 29.700 0.050 0.000 0.745 478 E HN 0.545 nan 8.360 nan 0.000 0.458 479 G N 0.986 109.771 108.800 -0.024 0.000 2.459 479 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 479 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 479 G C 1.540 176.388 174.900 -0.086 0.000 1.183 479 G CA 0.943 46.003 45.100 -0.067 0.000 0.776 479 G HN 0.201 nan 8.290 nan 0.000 0.552 480 R N 0.000 120.461 120.500 -0.065 0.000 2.117 480 R HA -0.045 4.295 4.340 -0.000 0.000 0.243 480 R C 2.597 178.834 176.300 -0.104 0.000 1.143 480 R CA 1.327 57.413 56.100 -0.023 0.000 0.968 480 R CB -0.490 29.858 30.300 0.081 0.000 0.863 480 R HN 0.416 nan 8.270 nan 0.000 0.444 481 I N 0.223 120.708 120.570 -0.142 0.000 2.179 481 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 481 I C 2.272 178.274 176.117 -0.192 0.000 1.088 481 I CA 1.213 62.403 61.300 -0.184 0.000 1.357 481 I CB -0.322 37.581 38.000 -0.160 0.000 1.051 481 I HN -0.023 nan 8.210 nan 0.000 0.409 482 V N 1.116 120.917 119.914 -0.188 0.000 2.343 482 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 482 V C 2.633 178.443 176.094 -0.472 0.000 1.051 482 V CA 2.110 64.195 62.300 -0.358 0.000 1.036 482 V CB -1.541 30.135 31.823 -0.245 0.000 0.654 482 V HN 0.583 nan 8.190 nan 0.000 0.451 483 G N -0.094 108.530 108.800 -0.294 0.000 2.553 483 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.218 483 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.218 483 G C 1.635 176.357 174.900 -0.296 0.000 1.195 483 G CA 1.442 46.396 45.100 -0.243 0.000 0.779 483 G HN 0.495 nan 8.290 nan 0.000 0.577 484 K N -0.464 119.720 120.400 -0.360 0.000 2.032 484 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 484 K C 2.661 179.004 176.600 -0.428 0.000 1.048 484 K CA 1.533 57.470 56.287 -0.584 0.000 0.927 484 K CB -0.159 31.831 32.500 -0.850 0.000 0.712 484 K HN 0.177 nan 8.250 nan 0.000 0.441 485 Q N 0.166 119.742 119.800 -0.374 0.000 2.181 485 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 485 Q C 2.056 177.821 176.000 -0.392 0.000 0.980 485 Q CA 1.582 57.246 55.803 -0.233 0.000 0.862 485 Q CB -0.185 28.477 28.738 -0.127 0.000 0.905 485 Q HN 0.491 nan 8.270 nan 0.000 0.429 486 M N -0.611 118.574 119.600 -0.692 0.000 2.156 486 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 486 M C 2.227 178.472 176.300 -0.091 0.000 1.067 486 M CA 0.954 55.892 55.300 -0.605 0.000 1.131 486 M CB -0.179 32.050 32.600 -0.618 0.000 1.368 486 M HN -0.032 nan 8.290 nan 0.000 0.416 487 V N 0.289 120.169 119.914 -0.058 0.000 2.295 487 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 487 V C 2.379 178.585 176.094 0.187 0.000 1.049 487 V CA 1.977 64.348 62.300 0.119 0.000 1.024 487 V CB -0.946 30.958 31.823 0.136 0.000 0.648 487 V HN 0.488 nan 8.190 nan 0.000 0.447 488 R N -0.776 119.780 120.500 0.093 0.000 2.105 488 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 488 R C 2.304 178.780 176.300 0.293 0.000 1.135 488 R CA 2.217 58.409 56.100 0.153 0.000 0.967 488 R CB -0.369 30.013 30.300 0.137 0.000 0.861 488 R HN 0.752 nan 8.270 nan 0.000 0.442 489 W N 0.797 122.143 121.300 0.076 0.000 2.381 489 W HA -0.273 4.387 4.660 -0.000 0.000 0.301 489 W C 1.721 178.353 176.519 0.188 0.000 1.205 489 W CA 1.518 58.875 57.345 0.019 0.000 1.285 489 W CB -0.797 28.600 29.460 -0.106 0.000 1.133 489 W HN 0.161 nan 8.180 nan 0.000 0.521 490 Y N 1.521 121.972 120.300 0.252 0.000 2.097 490 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 490 Y C 2.471 178.409 175.900 0.063 0.000 1.152 490 Y CA 2.698 60.906 58.100 0.179 0.000 1.136 490 Y CB -0.991 37.564 38.460 0.157 0.000 0.975 490 Y HN -0.126 nan 8.280 nan 0.000 0.498 491 L N 0.086 121.212 121.223 -0.161 0.000 2.275 491 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 491 L C 1.426 178.125 176.870 -0.286 0.000 1.119 491 L CA 1.277 55.950 54.840 -0.280 0.000 0.790 491 L CB -0.452 41.583 42.059 -0.041 0.000 0.919 491 L HN 0.196 nan 8.230 nan 0.000 0.443 492 D N -1.534 118.687 120.400 -0.299 0.000 2.349 492 D HA -0.034 4.606 4.640 -0.000 0.000 0.215 492 D C 0.628 176.407 176.300 -0.870 0.000 1.016 492 D CA 0.845 54.539 54.000 -0.510 0.000 0.870 492 D CB 0.144 40.659 40.800 -0.476 0.000 0.917 492 D HN 0.432 nan 8.370 nan 0.000 0.524 493 H N -1.059 117.757 119.070 -0.424 0.000 2.777 493 H HA 0.247 4.803 4.556 -0.000 0.000 0.244 493 H C 1.224 176.435 175.328 -0.196 0.000 1.185 493 H CA -0.341 55.499 56.048 -0.347 0.000 0.945 493 H CB 0.683 30.122 29.762 -0.538 0.000 1.994 493 H HN -0.190 nan 8.280 nan 0.000 0.638 494 K N 0.614 120.874 120.400 -0.234 0.000 2.189 494 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 494 K C 0.041 176.645 176.600 0.006 0.000 1.046 494 K CA 1.408 57.547 56.287 -0.247 0.000 0.928 494 K CB 0.033 32.346 32.500 -0.311 0.000 0.720 494 K HN 0.417 nan 8.250 nan 0.000 0.458 495 D N -0.074 120.348 120.400 0.037 0.000 2.690 495 D HA 0.004 4.644 4.640 -0.000 0.000 0.236 495 D C 0.766 177.163 176.300 0.163 0.000 1.218 495 D CA -0.021 54.025 54.000 0.077 0.000 0.829 495 D CB -0.500 40.321 40.800 0.035 0.000 1.009 495 D HN 0.159 nan 8.370 nan 0.000 0.482 496 F N 1.904 121.887 119.950 0.055 0.000 2.022 496 F HA -0.142 4.385 4.527 -0.000 0.000 0.293 496 F C 1.010 176.839 175.800 0.050 0.000 1.142 496 F CA 0.623 58.668 58.000 0.075 0.000 1.177 496 F CB 0.302 39.379 39.000 0.128 0.000 0.982 496 F HN -0.218 nan 8.300 nan 0.000 0.473 497 K N 1.501 121.746 120.400 -0.260 0.000 5.420 497 K HA -0.125 4.195 4.320 -0.000 0.000 0.407 497 K C -2.762 173.408 176.600 -0.716 0.000 1.074 497 K CA 0.204 56.272 56.287 -0.365 0.000 1.247 497 K CB -1.448 30.935 32.500 -0.194 0.000 1.725 497 K HN 0.166 nan 8.250 nan 0.000 0.408 498 P HA 0.343 nan 4.420 nan 0.000 0.277 498 P C -0.483 176.492 177.300 -0.543 0.000 1.240 498 P CA -0.131 62.492 63.100 -0.795 0.000 0.798 498 P CB 0.952 32.426 31.700 -0.377 0.000 0.979 499 E N 0.312 120.234 120.200 -0.463 0.000 2.393 499 E HA 0.536 4.886 4.350 -0.000 0.000 0.273 499 E C -1.176 175.229 176.600 -0.326 0.000 0.918 499 E CA -0.557 55.584 56.400 -0.431 0.000 0.773 499 E CB 1.290 30.862 29.700 -0.214 0.000 1.275 499 E HN 0.226 nan 8.360 nan 0.000 0.451 500 F N 0.335 120.290 119.950 0.008 0.000 2.507 500 F HA 0.173 4.700 4.527 -0.000 0.000 0.327 500 F C 1.372 177.186 175.800 0.023 0.000 1.068 500 F CA -1.001 57.014 58.000 0.026 0.000 0.965 500 F CB 1.025 40.043 39.000 0.031 0.000 1.192 500 F HN 0.303 nan 8.300 nan 0.000 0.476 501 V N -1.680 118.379 119.914 0.242 0.000 2.515 501 V HA -0.073 4.047 4.120 -0.000 0.000 0.250 501 V C 0.465 176.638 176.094 0.131 0.000 1.058 501 V CA 1.110 63.495 62.300 0.142 0.000 1.064 501 V CB -1.008 30.880 31.823 0.108 0.000 0.675 501 V HN 0.635 nan 8.190 nan 0.000 0.461 502 E N 1.561 121.850 120.200 0.148 0.000 2.349 502 E HA 0.467 4.817 4.350 -0.000 0.000 0.262 502 E C 0.493 177.175 176.600 0.136 0.000 1.088 502 E CA 0.244 56.708 56.400 0.105 0.000 0.899 502 E CB 0.831 30.560 29.700 0.049 0.000 1.044 502 E HN 0.632 nan 8.360 nan 0.000 0.420 503 T N -1.741 112.870 114.554 0.094 0.000 2.922 503 T HA 0.492 4.842 4.350 -0.000 0.000 0.285 503 T C 1.072 175.822 174.700 0.083 0.000 1.005 503 T CA -0.379 61.775 62.100 0.091 0.000 1.061 503 T CB 1.596 70.499 68.868 0.059 0.000 1.007 503 T HN 0.429 nan 8.240 nan 0.000 0.502 504 A N 0.742 123.613 122.820 0.085 0.000 1.986 504 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 504 A C 2.214 179.822 177.584 0.041 0.000 1.171 504 A CA 2.037 54.113 52.037 0.064 0.000 0.640 504 A CB -1.032 17.996 19.000 0.047 0.000 0.811 504 A HN 0.964 nan 8.150 nan 0.000 0.451 505 E N 0.059 120.282 120.200 0.038 0.000 2.107 505 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 505 E C 1.858 178.491 176.600 0.055 0.000 0.982 505 E CA 1.471 57.894 56.400 0.037 0.000 0.809 505 E CB -0.226 29.490 29.700 0.027 0.000 0.756 505 E HN 0.708 nan 8.360 nan 0.000 0.459 506 E N -0.233 120.000 120.200 0.055 0.000 2.150 506 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 506 E C 2.054 178.696 176.600 0.070 0.000 0.985 506 E CA 0.826 57.264 56.400 0.063 0.000 0.814 506 E CB -0.029 29.705 29.700 0.056 0.000 0.752 506 E HN 0.279 nan 8.360 nan 0.000 0.466 507 L N 1.229 122.481 121.223 0.048 0.000 2.005 507 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 507 L C 2.678 179.594 176.870 0.076 0.000 1.072 507 L CA 1.224 56.082 54.840 0.030 0.000 0.744 507 L CB -0.487 41.560 42.059 -0.019 0.000 0.895 507 L HN 0.061 nan 8.230 nan 0.000 0.433 508 K N -0.317 120.135 120.400 0.086 0.000 2.044 508 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 508 K C 2.043 178.769 176.600 0.210 0.000 1.049 508 K CA 2.240 58.599 56.287 0.120 0.000 0.927 508 K CB -0.382 32.153 32.500 0.058 0.000 0.713 508 K HN 0.149 nan 8.250 nan 0.000 0.443 509 T N 0.987 115.670 114.554 0.215 0.000 3.051 509 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 509 T C 1.639 176.538 174.700 0.332 0.000 1.127 509 T CA 0.807 63.107 62.100 0.333 0.000 1.107 509 T CB -0.048 68.939 68.868 0.199 0.000 0.898 509 T HN 0.296 nan 8.240 nan 0.000 0.517 510 L N -0.150 121.218 121.223 0.241 0.000 2.168 510 L HA 0.382 4.722 4.340 -0.000 0.000 0.203 510 L C 2.023 179.095 176.870 0.337 0.000 1.078 510 L CA 1.380 56.363 54.840 0.238 0.000 0.780 510 L CB -0.345 41.801 42.059 0.146 0.000 0.939 510 L HN 0.218 nan 8.230 nan 0.000 0.451 511 I N -1.197 119.538 120.570 0.275 0.000 2.353 511 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 511 I C 1.047 177.394 176.117 0.384 0.000 1.119 511 I CA 1.085 62.568 61.300 0.305 0.000 1.417 511 I CB -0.038 38.049 38.000 0.144 0.000 1.078 511 I HN 0.216 nan 8.210 nan 0.000 0.421 512 Y N 0.543 120.898 120.300 0.092 0.000 2.537 512 Y HA 0.108 4.658 4.550 -0.000 0.000 0.303 512 Y C 2.035 177.804 175.900 -0.219 0.000 1.176 512 Y CA 0.023 58.044 58.100 -0.133 0.000 1.273 512 Y CB -0.497 37.789 38.460 -0.290 0.000 1.110 512 Y HN 0.028 nan 8.280 nan 0.000 0.518 513 R N 0.893 121.472 120.500 0.130 0.000 2.083 513 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 513 R C -0.813 175.464 176.300 -0.039 0.000 1.137 513 R CA 1.753 57.934 56.100 0.135 0.000 0.951 513 R CB -1.045 29.336 30.300 0.135 0.000 0.851 513 R HN 0.183 nan 8.270 nan 0.000 0.434 514 P HA -0.202 nan 4.420 nan 0.000 0.216 514 P C 0.660 177.857 177.300 -0.171 0.000 1.150 514 P CA 1.212 64.153 63.100 -0.264 0.000 0.843 514 P CB -0.235 31.201 31.700 -0.441 0.000 0.787 515 Y N -0.856 119.252 120.300 -0.319 0.000 2.200 515 Y HA -0.239 4.311 4.550 -0.000 0.000 0.290 515 Y C 1.965 177.813 175.900 -0.086 0.000 1.137 515 Y CA 1.533 59.489 58.100 -0.239 0.000 1.163 515 Y CB -0.990 37.303 38.460 -0.278 0.000 0.988 515 Y HN -0.070 nan 8.280 nan 0.000 0.518 516 Y N 0.071 120.323 120.300 -0.080 0.000 2.263 516 Y HA -0.128 4.422 4.550 -0.000 0.000 0.292 516 Y C 2.293 178.125 175.900 -0.113 0.000 1.130 516 Y CA 1.023 59.025 58.100 -0.163 0.000 1.179 516 Y CB -1.111 37.340 38.460 -0.016 0.000 0.998 516 Y HN 0.153 nan 8.280 nan 0.000 0.532 517 N N -0.518 118.228 118.700 0.077 0.000 2.104 517 N HA -0.248 4.492 4.740 -0.000 0.000 0.190 517 N C 1.810 177.360 175.510 0.067 0.000 1.024 517 N CA 1.635 54.727 53.050 0.070 0.000 0.853 517 N CB -0.982 37.522 38.487 0.029 0.000 1.008 517 N HN 0.508 nan 8.380 nan 0.000 0.424 518 Y N 1.323 121.493 120.300 -0.217 0.000 2.133 518 Y HA -0.162 4.388 4.550 -0.000 0.000 0.287 518 Y C 2.468 178.306 175.900 -0.102 0.000 1.134 518 Y CA 1.575 59.490 58.100 -0.309 0.000 1.133 518 Y CB -0.122 38.100 38.460 -0.396 0.000 0.987 518 Y HN -0.046 nan 8.280 nan 0.000 0.502 519 E N 0.915 120.950 120.200 -0.274 0.000 2.118 519 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 519 E C 1.869 178.334 176.600 -0.224 0.000 0.992 519 E CA 2.070 58.275 56.400 -0.325 0.000 0.804 519 E CB -0.203 29.281 29.700 -0.359 0.000 0.741 519 E HN 0.672 nan 8.360 nan 0.000 0.458 520 K N -1.956 118.371 120.400 -0.122 0.000 2.400 520 K HA 0.129 4.448 4.320 -0.000 0.000 0.194 520 K C 1.655 178.225 176.600 -0.049 0.000 1.033 520 K CA 1.035 57.280 56.287 -0.069 0.000 1.021 520 K CB 0.420 32.903 32.500 -0.028 0.000 0.808 520 K HN 0.100 nan 8.250 nan 0.000 0.505 521 G N 2.094 110.885 108.800 -0.015 0.000 2.850 521 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.211 521 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.211 521 G C 1.166 176.061 174.900 -0.009 0.000 1.124 521 G CA -0.174 44.952 45.100 0.043 0.000 0.769 521 G HN 0.385 nan 8.290 nan 0.000 0.535 522 K N 0.483 120.812 120.400 -0.118 0.000 2.280 522 K HA 0.060 4.380 4.320 -0.000 0.000 0.202 522 K C 2.166 178.704 176.600 -0.104 0.000 1.047 522 K CA 1.227 57.401 56.287 -0.189 0.000 0.942 522 K CB -0.360 31.777 32.500 -0.605 0.000 0.739 522 K HN 0.099 nan 8.250 nan 0.000 0.457 523 G N 0.871 109.609 108.800 -0.102 0.000 2.598 523 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.215 523 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.215 523 G C 1.533 176.396 174.900 -0.061 0.000 1.131 523 G CA 0.428 45.486 45.100 -0.070 0.000 0.785 523 G HN 0.438 nan 8.290 nan 0.000 0.539 524 A N -0.590 122.181 122.820 -0.081 0.000 2.067 524 A HA 0.434 4.754 4.320 -0.000 0.000 0.217 524 A C 1.397 178.939 177.584 -0.070 0.000 1.156 524 A CA 1.284 53.269 52.037 -0.086 0.000 0.683 524 A CB 0.010 18.932 19.000 -0.130 0.000 0.808 524 A HN 0.406 nan 8.150 nan 0.000 0.455 525 S N -2.628 113.038 115.700 -0.057 0.000 2.618 525 S HA 0.420 4.890 4.470 -0.000 0.000 0.277 525 S C 0.818 175.418 174.600 -0.001 0.000 1.138 525 S CA 0.281 58.463 58.200 -0.031 0.000 0.844 525 S CB 1.434 64.612 63.200 -0.038 0.000 1.127 525 S HN 0.490 nan 8.310 nan 0.000 0.474 526 T N -1.017 113.542 114.554 0.008 0.000 3.100 526 T HA 0.198 4.548 4.350 -0.000 0.000 0.253 526 T C 0.728 175.453 174.700 0.041 0.000 1.118 526 T CA 0.013 62.126 62.100 0.021 0.000 1.058 526 T CB -0.641 68.236 68.868 0.014 0.000 0.953 526 T HN 0.466 nan 8.240 nan 0.000 0.515 527 C N 2.573 121.902 119.300 0.048 0.000 2.379 527 C HA 0.650 5.110 4.460 -0.000 0.000 0.323 527 C C -1.721 173.344 174.990 0.126 0.000 1.262 527 C CA -2.075 56.986 59.018 0.072 0.000 1.581 527 C CB 1.586 29.356 27.740 0.051 0.000 2.221 527 C HN 0.186 nan 8.230 nan 0.000 0.497 528 P HA -0.036 nan 4.420 nan 0.000 0.225 528 P C 1.168 178.662 177.300 0.323 0.000 1.156 528 P CA 0.967 64.250 63.100 0.306 0.000 0.787 528 P CB 0.188 32.026 31.700 0.229 0.000 0.802 529 V N -1.187 118.842 119.914 0.191 0.000 2.391 529 V HA -0.013 4.107 4.120 -0.000 0.000 0.237 529 V C 1.131 177.308 176.094 0.138 0.000 1.046 529 V CA 0.682 63.083 62.300 0.167 0.000 1.053 529 V CB -0.788 31.090 31.823 0.091 0.000 0.704 529 V HN -0.228 nan 8.190 nan 0.000 0.475 530 V N 3.937 123.896 119.914 0.076 0.000 2.377 530 V HA 0.266 4.386 4.120 -0.000 0.000 0.254 530 V C -0.088 175.997 176.094 -0.016 0.000 1.060 530 V CA 0.393 62.709 62.300 0.028 0.000 1.068 530 V CB -0.898 30.935 31.823 0.017 0.000 1.113 530 V HN 0.639 nan 8.190 nan 0.000 0.484 531 N N 6.622 125.274 118.700 -0.080 0.000 2.554 531 N HA 0.277 5.017 4.740 -0.000 0.000 0.271 531 N C -2.156 173.181 175.510 -0.288 0.000 1.081 531 N CA -0.992 51.918 53.050 -0.233 0.000 0.994 531 N CB 3.178 41.406 38.487 -0.431 0.000 1.641 531 N HN 0.170 nan 8.380 nan 0.000 0.511 532 P HA -0.004 nan 4.420 nan 0.000 0.222 532 P C 0.562 177.745 177.300 -0.194 0.000 1.153 532 P CA 0.943 63.944 63.100 -0.164 0.000 0.798 532 P CB 0.641 32.272 31.700 -0.114 0.000 0.796 533 E N -0.297 119.709 120.200 -0.323 0.000 2.208 533 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 533 E C 0.971 177.505 176.600 -0.110 0.000 0.988 533 E CA 0.997 57.259 56.400 -0.230 0.000 0.828 533 E CB -0.429 29.128 29.700 -0.237 0.000 0.763 533 E HN 0.516 nan 8.360 nan 0.000 0.478 534 Y N -1.649 118.658 120.300 0.012 0.000 2.974 534 Y HA 0.684 5.234 4.550 -0.000 0.000 0.310 534 Y C -0.874 175.041 175.900 0.025 0.000 1.551 534 Y CA -1.936 56.173 58.100 0.016 0.000 1.084 534 Y CB 1.034 39.507 38.460 0.022 0.000 1.446 534 Y HN -0.189 nan 8.280 nan 0.000 0.472 535 I N 1.772 122.584 120.570 0.404 0.000 2.610 535 I HA 0.478 4.648 4.170 -0.000 0.000 0.289 535 I C -0.651 175.565 176.117 0.165 0.000 1.163 535 I CA -0.620 60.837 61.300 0.261 0.000 1.044 535 I CB 1.857 39.973 38.000 0.194 0.000 1.251 535 I HN 0.942 nan 8.210 nan 0.000 0.424 536 S N 6.678 122.464 115.700 0.144 0.000 2.579 536 S HA 0.370 4.840 4.470 -0.000 0.000 0.275 536 S C -2.016 172.600 174.600 0.027 0.000 1.345 536 S CA -0.582 57.636 58.200 0.030 0.000 1.031 536 S CB 0.949 64.174 63.200 0.041 0.000 0.892 536 S HN 0.562 nan 8.310 nan 0.000 0.529 537 P HA 0.002 nan 4.420 nan 0.000 0.217 537 P C 1.329 178.665 177.300 0.059 0.000 1.150 537 P CA 0.950 64.029 63.100 -0.034 0.000 0.832 537 P CB 0.023 31.644 31.700 -0.132 0.000 0.787 538 K N 0.058 120.476 120.400 0.030 0.000 2.103 538 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 538 K C 1.699 178.336 176.600 0.062 0.000 1.048 538 K CA 1.801 58.114 56.287 0.044 0.000 0.930 538 K CB -0.709 31.808 32.500 0.029 0.000 0.716 538 K HN 0.097 nan 8.250 nan 0.000 0.444 539 N N -1.407 117.339 118.700 0.076 0.000 2.333 539 N HA -0.006 4.734 4.740 -0.000 0.000 0.178 539 N C 1.325 176.883 175.510 0.081 0.000 1.018 539 N CA 0.614 53.704 53.050 0.067 0.000 0.882 539 N CB -0.117 38.410 38.487 0.066 0.000 0.984 539 N HN 0.088 nan 8.380 nan 0.000 0.434 540 F N 1.660 121.601 119.950 -0.015 0.000 2.075 540 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 540 F C 2.351 178.142 175.800 -0.015 0.000 1.113 540 F CA 1.304 59.294 58.000 -0.017 0.000 1.218 540 F CB -0.152 38.834 39.000 -0.024 0.000 0.984 540 F HN -0.027 nan 8.300 nan 0.000 0.472 541 M N -0.441 119.301 119.600 0.236 0.000 2.067 541 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 541 M C 2.285 178.582 176.300 -0.006 0.000 1.069 541 M CA 2.045 57.418 55.300 0.121 0.000 1.117 541 M CB -0.277 32.400 32.600 0.128 0.000 1.334 541 M HN 0.361 nan 8.290 nan 0.000 0.407 542 M N 0.336 119.937 119.600 0.002 0.000 2.106 542 M HA -0.245 4.235 4.480 -0.000 0.000 0.259 542 M C 2.208 178.467 176.300 -0.069 0.000 1.068 542 M CA 1.962 57.249 55.300 -0.022 0.000 1.100 542 M CB -0.633 31.964 32.600 -0.005 0.000 1.351 542 M HN 0.287 nan 8.290 nan 0.000 0.404 543 R N -0.640 119.791 120.500 -0.114 0.000 2.092 543 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 543 R C 2.102 178.279 176.300 -0.206 0.000 1.119 543 R CA 1.532 57.535 56.100 -0.163 0.000 0.970 543 R CB -0.454 29.719 30.300 -0.211 0.000 0.864 543 R HN 0.433 nan 8.270 nan 0.000 0.440 544 L N 1.529 122.591 121.223 -0.269 0.000 1.976 544 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 544 L C 2.241 179.007 176.870 -0.173 0.000 1.071 544 L CA 1.848 56.536 54.840 -0.253 0.000 0.746 544 L CB -0.429 41.480 42.059 -0.250 0.000 0.890 544 L HN 0.373 nan 8.230 nan 0.000 0.432 545 I N -2.746 117.748 120.570 -0.128 0.000 2.361 545 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 545 I C 2.432 178.493 176.117 -0.093 0.000 1.133 545 I CA 1.577 62.811 61.300 -0.109 0.000 1.413 545 I CB -0.854 37.120 38.000 -0.043 0.000 1.073 545 I HN 0.278 nan 8.210 nan 0.000 0.424 546 K N 1.214 121.564 120.400 -0.085 0.000 2.097 546 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 546 K C 2.277 178.832 176.600 -0.076 0.000 1.050 546 K CA 1.815 58.057 56.287 -0.075 0.000 0.938 546 K CB -0.387 32.075 32.500 -0.064 0.000 0.718 546 K HN 0.604 nan 8.250 nan 0.000 0.442 547 C N 1.137 120.397 119.300 -0.066 0.000 2.476 547 C HA -0.048 4.412 4.460 -0.000 0.000 0.278 547 C C 2.956 177.946 174.990 0.001 0.000 1.274 547 C CA 1.947 60.975 59.018 0.016 0.000 1.713 547 C CB -1.104 26.618 27.740 -0.030 0.000 2.039 547 C HN 0.691 nan 8.230 nan 0.000 0.484 548 T N -1.631 112.847 114.554 -0.127 0.000 2.867 548 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 548 T C 1.399 176.063 174.700 -0.060 0.000 1.057 548 T CA 2.169 64.132 62.100 -0.229 0.000 1.136 548 T CB -0.755 67.737 68.868 -0.626 0.000 0.874 548 T HN 0.681 nan 8.240 nan 0.000 0.466 549 D N 1.295 121.683 120.400 -0.021 0.000 2.117 549 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 549 D C 2.209 178.470 176.300 -0.065 0.000 0.987 549 D CA 1.278 55.313 54.000 0.058 0.000 0.829 549 D CB -0.100 40.685 40.800 -0.025 0.000 0.961 549 D HN 0.645 nan 8.370 nan 0.000 0.460 550 E N -1.635 118.438 120.200 -0.211 0.000 2.122 550 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 550 E C 1.119 177.418 176.600 -0.501 0.000 0.977 550 E CA 0.640 56.764 56.400 -0.460 0.000 0.820 550 E CB 0.078 29.317 29.700 -0.770 0.000 0.770 550 E HN 0.500 nan 8.360 nan 0.000 0.462 551 Y N -1.536 118.751 120.300 -0.022 0.000 2.481 551 Y HA 0.315 4.865 4.550 -0.000 0.000 0.247 551 Y C 1.748 177.615 175.900 -0.054 0.000 1.151 551 Y CA -0.156 57.916 58.100 -0.046 0.000 1.238 551 Y CB 1.301 39.706 38.460 -0.092 0.000 1.179 551 Y HN 0.008 nan 8.280 nan 0.000 0.524 552 G N -0.555 108.320 108.800 0.125 0.000 3.453 552 G HA2 0.382 4.342 3.960 -0.000 0.000 0.263 552 G HA3 0.382 4.342 3.960 -0.000 0.000 0.263 552 G C 0.828 175.903 174.900 0.291 0.000 1.060 552 G CA -0.020 45.190 45.100 0.184 0.000 0.793 552 G HN 0.367 nan 8.290 nan 0.000 0.532 553 G N -0.188 108.722 108.800 0.184 0.000 2.368 553 G HA2 0.151 4.111 3.960 -0.000 0.000 0.290 553 G HA3 0.151 4.111 3.960 -0.000 0.000 0.290 553 G C 0.698 175.602 174.900 0.008 0.000 1.098 553 G CA 0.187 45.367 45.100 0.134 0.000 1.073 553 G HN 0.887 nan 8.290 nan 0.000 0.511 554 G N -1.209 107.573 108.800 -0.030 0.000 2.509 554 G HA2 0.662 4.622 3.960 -0.000 0.000 0.269 554 G HA3 0.662 4.622 3.960 -0.000 0.000 0.269 554 G C 1.547 176.145 174.900 -0.504 0.000 1.416 554 G CA 0.828 45.800 45.100 -0.214 0.000 1.052 554 G HN 1.357 nan 8.290 nan 0.000 0.542 555 V N -1.703 117.886 119.914 -0.543 0.000 2.427 555 V HA 0.059 4.179 4.120 -0.000 0.000 0.248 555 V C 2.666 178.410 176.094 -0.584 0.000 1.051 555 V CA 2.136 64.000 62.300 -0.727 0.000 1.048 555 V CB -1.327 30.221 31.823 -0.458 0.000 0.666 555 V HN 0.717 nan 8.190 nan 0.000 0.456 556 G N -0.763 107.808 108.800 -0.382 0.000 2.470 556 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 556 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 556 G C 1.499 176.209 174.900 -0.317 0.000 1.121 556 G CA 1.384 46.287 45.100 -0.327 0.000 0.766 556 G HN 0.544 nan 8.290 nan 0.000 0.553 557 T N -1.457 112.933 114.554 -0.273 0.000 3.092 557 T HA 0.244 4.594 4.350 -0.000 0.000 0.258 557 T C 0.411 175.101 174.700 -0.016 0.000 1.031 557 T CA -0.563 61.458 62.100 -0.132 0.000 0.925 557 T CB -0.273 68.545 68.868 -0.084 0.000 1.036 557 T HN 0.299 nan 8.240 nan 0.000 0.544 558 Y N 0.135 120.333 120.300 -0.171 0.000 3.689 558 Y HA -0.286 4.264 4.550 -0.000 0.000 0.221 558 Y C 0.141 176.117 175.900 0.127 0.000 1.247 558 Y CA 0.636 58.681 58.100 -0.091 0.000 1.671 558 Y CB -2.905 35.556 38.460 0.002 0.000 1.521 558 Y HN 0.526 nan 8.280 nan 0.000 0.632 559 Y N -3.091 117.312 120.300 0.173 0.000 4.272 559 Y HA -0.335 4.215 4.550 -0.000 0.000 0.232 559 Y C 0.568 176.654 175.900 0.310 0.000 1.149 559 Y CA 0.914 59.132 58.100 0.196 0.000 1.961 559 Y CB -1.627 36.970 38.460 0.229 0.000 1.611 559 Y HN 0.532 nan 8.280 nan 0.000 0.682 560 N N 0.026 118.913 118.700 0.312 0.000 2.372 560 N HA 0.655 5.395 4.740 -0.000 0.000 0.291 560 N C -0.421 175.216 175.510 0.211 0.000 1.024 560 N CA 0.065 53.289 53.050 0.290 0.000 0.873 560 N CB 1.363 39.962 38.487 0.186 0.000 1.206 560 N HN 0.224 nan 8.380 nan 0.000 0.486 561 T N 0.528 115.229 114.554 0.244 0.000 2.816 561 T HA 0.744 5.094 4.350 -0.000 0.000 0.299 561 T C -1.547 173.267 174.700 0.190 0.000 1.230 561 T CA -0.455 61.760 62.100 0.192 0.000 1.007 561 T CB 0.808 69.783 68.868 0.178 0.000 1.289 561 T HN 0.599 nan 8.240 nan 0.000 0.508 562 S N 1.094 116.890 115.700 0.160 0.000 2.615 562 S HA 0.467 4.937 4.470 -0.000 0.000 0.269 562 S C 0.507 175.199 174.600 0.153 0.000 1.161 562 S CA -0.778 57.515 58.200 0.156 0.000 0.817 562 S CB 1.567 64.835 63.200 0.114 0.000 1.131 562 S HN 0.748 nan 8.310 nan 0.000 0.467 563 K N 1.051 121.552 120.400 0.168 0.000 2.113 563 K HA -0.020 4.300 4.320 -0.000 0.000 0.208 563 K C 1.981 178.663 176.600 0.137 0.000 1.047 563 K CA 2.314 58.703 56.287 0.170 0.000 0.928 563 K CB -1.061 31.548 32.500 0.182 0.000 0.716 563 K HN 0.738 nan 8.250 nan 0.000 0.446 564 A N 0.243 123.127 122.820 0.106 0.000 1.855 564 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 564 A C 2.008 179.645 177.584 0.090 0.000 1.191 564 A CA 1.358 53.444 52.037 0.082 0.000 0.613 564 A CB -0.743 18.295 19.000 0.063 0.000 0.829 564 A HN 0.269 nan 8.150 nan 0.000 0.442 565 L N -0.247 121.050 121.223 0.124 0.000 1.990 565 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 565 L C 2.559 179.507 176.870 0.130 0.000 1.072 565 L CA 1.670 56.629 54.840 0.199 0.000 0.755 565 L CB -1.140 41.038 42.059 0.199 0.000 0.889 565 L HN 0.398 nan 8.230 nan 0.000 0.432 566 L N -0.935 120.321 121.223 0.055 0.000 2.079 566 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 566 L C 2.199 178.952 176.870 -0.196 0.000 1.081 566 L CA 1.210 55.967 54.840 -0.139 0.000 0.752 566 L CB -0.628 41.424 42.059 -0.012 0.000 0.896 566 L HN 0.273 nan 8.230 nan 0.000 0.433 567 D N -0.779 119.671 120.400 0.083 0.000 2.144 567 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 567 D C 2.183 178.524 176.300 0.069 0.000 0.984 567 D CA 1.651 55.767 54.000 0.193 0.000 0.834 567 D CB -0.157 40.729 40.800 0.142 0.000 0.955 567 D HN 0.305 nan 8.370 nan 0.000 0.465 568 T N -0.466 114.027 114.554 -0.101 0.000 2.821 568 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 568 T C 1.994 176.462 174.700 -0.386 0.000 1.046 568 T CA 1.234 63.189 62.100 -0.243 0.000 1.139 568 T CB -0.510 68.049 68.868 -0.514 0.000 0.871 568 T HN 0.223 nan 8.240 nan 0.000 0.454 569 G N 0.849 109.346 108.800 -0.505 0.000 2.421 569 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 569 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 569 G C 1.259 176.016 174.900 -0.239 0.000 1.171 569 G CA 0.312 45.179 45.100 -0.388 0.000 0.775 569 G HN 0.512 nan 8.290 nan 0.000 0.543 570 F N -0.917 119.026 119.950 -0.012 0.000 2.216 570 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 570 F C 2.366 178.188 175.800 0.035 0.000 1.085 570 F CA 0.839 58.840 58.000 0.003 0.000 1.326 570 F CB -0.167 38.847 39.000 0.024 0.000 1.027 570 F HN 0.328 nan 8.300 nan 0.000 0.497 571 W N 1.228 122.556 121.300 0.045 0.000 2.379 571 W HA -0.133 4.527 4.660 0.000 0.000 0.307 571 W C 1.762 178.257 176.519 -0.040 0.000 1.200 571 W CA 1.393 58.733 57.345 -0.008 0.000 1.297 571 W CB -0.610 28.821 29.460 -0.049 0.000 1.140 571 W HN -0.087 nan 8.180 nan 0.000 0.507 572 L N 0.342 121.346 121.223 -0.365 0.000 2.201 572 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 572 L C 2.524 179.189 176.870 -0.341 0.000 1.105 572 L CA 1.302 55.805 54.840 -0.561 0.000 0.775 572 L CB -0.557 41.286 42.059 -0.360 0.000 0.913 572 L HN 0.105 nan 8.230 nan 0.000 0.440 573 M N -0.695 118.794 119.600 -0.184 0.000 2.334 573 M HA -0.141 4.339 4.480 -0.000 0.000 0.266 573 M C 2.152 178.402 176.300 -0.083 0.000 1.082 573 M CA 1.332 56.562 55.300 -0.116 0.000 1.141 573 M CB -0.043 32.532 32.600 -0.040 0.000 1.380 573 M HN 0.268 nan 8.290 nan 0.000 0.440 574 E N 0.084 120.246 120.200 -0.064 0.000 2.285 574 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 574 E C 1.861 178.430 176.600 -0.053 0.000 0.997 574 E CA 0.750 57.132 56.400 -0.030 0.000 0.845 574 E CB -0.167 29.542 29.700 0.015 0.000 0.782 574 E HN 0.456 nan 8.360 nan 0.000 0.491 575 M N 0.218 119.728 119.600 -0.151 0.000 2.254 575 M HA -0.004 4.475 4.480 -0.000 0.000 0.265 575 M C 1.932 178.171 176.300 -0.101 0.000 1.066 575 M CA 0.662 55.868 55.300 -0.157 0.000 1.123 575 M CB 0.126 32.537 32.600 -0.314 0.000 1.388 575 M HN 0.245 nan 8.290 nan 0.000 0.425 576 L N 0.064 121.215 121.223 -0.119 0.000 2.240 576 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 576 L C 2.135 179.068 176.870 0.104 0.000 1.106 576 L CA 1.647 56.440 54.840 -0.078 0.000 0.793 576 L CB -0.495 41.433 42.059 -0.219 0.000 0.927 576 L HN 0.178 nan 8.230 nan 0.000 0.446 577 E N 0.061 120.314 120.200 0.088 0.000 2.047 577 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 577 E C 1.996 178.694 176.600 0.163 0.000 0.987 577 E CA 1.401 57.904 56.400 0.171 0.000 0.799 577 E CB 0.046 29.809 29.700 0.105 0.000 0.752 577 E HN 0.628 nan 8.360 nan 0.000 0.449 578 E N 0.633 120.891 120.200 0.096 0.000 2.085 578 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 578 E C 1.595 178.248 176.600 0.088 0.000 0.994 578 E CA 1.334 57.782 56.400 0.080 0.000 0.801 578 E CB -0.007 29.721 29.700 0.046 0.000 0.743 578 E HN 0.154 nan 8.360 nan 0.000 0.453 579 D N -0.438 120.023 120.400 0.102 0.000 2.317 579 D HA -0.079 4.561 4.640 -0.000 0.000 0.211 579 D C 2.013 178.423 176.300 0.184 0.000 0.966 579 D CA 0.939 55.014 54.000 0.125 0.000 0.876 579 D CB -0.151 40.713 40.800 0.107 0.000 0.927 579 D HN 0.124 nan 8.370 nan 0.000 0.519 580 S N 0.209 116.056 115.700 0.245 0.000 2.402 580 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 580 S C 2.085 176.634 174.600 -0.085 0.000 1.021 580 S CA 0.457 58.731 58.200 0.123 0.000 0.974 580 S CB -0.621 62.736 63.200 0.262 0.000 0.800 580 S HN 0.258 nan 8.310 nan 0.000 0.484 581 L N 0.303 121.518 121.223 -0.013 0.000 2.261 581 L HA -0.015 4.325 4.340 -0.000 0.000 0.216 581 L C 1.757 178.599 176.870 -0.048 0.000 1.114 581 L CA 1.258 56.072 54.840 -0.043 0.000 0.777 581 L CB -0.439 41.632 42.059 0.021 0.000 0.910 581 L HN 0.289 nan 8.230 nan 0.000 0.440 582 K N 0.018 120.410 120.400 -0.013 0.000 2.681 582 K HA 0.286 4.606 4.320 -0.000 0.000 0.211 582 K C -0.159 176.442 176.600 0.002 0.000 1.075 582 K CA -0.216 56.086 56.287 0.026 0.000 1.141 582 K CB 0.299 32.845 32.500 0.077 0.000 0.896 582 K HN 0.146 nan 8.250 nan 0.000 0.470 583 L N 1.461 122.595 121.223 -0.148 0.000 2.426 583 L HA 0.242 4.582 4.340 -0.000 0.000 0.271 583 L C 0.081 176.797 176.870 -0.257 0.000 1.169 583 L CA -0.389 54.303 54.840 -0.247 0.000 0.836 583 L CB 0.930 42.694 42.059 -0.491 0.000 1.112 583 L HN 0.174 nan 8.230 nan 0.000 0.465 584 A N 3.093 125.743 122.820 -0.283 0.000 2.365 584 A HA 0.872 5.192 4.320 -0.000 0.000 0.318 584 A C -0.842 176.500 177.584 -0.402 0.000 1.091 584 A CA -0.476 51.330 52.037 -0.385 0.000 0.763 584 A CB 1.703 20.250 19.000 -0.755 0.000 1.248 584 A HN 0.727 nan 8.150 nan 0.000 0.442 585 A N 1.554 124.148 122.820 -0.377 0.000 2.343 585 A HA 0.649 4.969 4.320 -0.000 0.000 0.308 585 A C 0.442 177.761 177.584 -0.441 0.000 1.092 585 A CA -0.666 51.142 52.037 -0.383 0.000 0.751 585 A CB 0.908 19.692 19.000 -0.360 0.000 1.203 585 A HN 0.857 nan 8.150 nan 0.000 0.452 586 R N 0.861 121.037 120.500 -0.540 0.000 2.223 586 R HA 0.126 4.466 4.340 -0.000 0.000 0.198 586 R C -0.267 175.885 176.300 -0.246 0.000 0.984 586 R CA 1.128 56.856 56.100 -0.621 0.000 1.018 586 R CB 0.262 30.172 30.300 -0.649 0.000 0.945 586 R HN 0.916 nan 8.270 nan 0.000 0.479 587 D N -1.502 118.784 120.400 -0.190 0.000 2.643 587 D HA 0.030 4.670 4.640 -0.000 0.000 0.283 587 D C 0.595 176.822 176.300 -0.121 0.000 1.242 587 D CA -0.696 53.241 54.000 -0.105 0.000 0.863 587 D CB 0.839 41.604 40.800 -0.059 0.000 1.382 587 D HN -0.201 nan 8.370 nan 0.000 0.444 588 L N -0.381 120.800 121.223 -0.070 0.000 2.079 588 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 588 L C 2.495 179.362 176.870 -0.006 0.000 1.081 588 L CA 1.541 56.348 54.840 -0.056 0.000 0.752 588 L CB -0.650 41.432 42.059 0.038 0.000 0.896 588 L HN 0.571 nan 8.230 nan 0.000 0.433 589 H N 0.051 119.081 119.070 -0.067 0.000 2.389 589 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 589 H C 2.167 177.433 175.328 -0.103 0.000 1.081 589 H CA 1.664 57.672 56.048 -0.066 0.000 1.345 589 H CB 0.215 29.940 29.762 -0.062 0.000 1.393 589 H HN 0.270 nan 8.280 nan 0.000 0.520 590 E N -0.402 119.719 120.200 -0.132 0.000 2.106 590 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 590 E C 2.086 178.507 176.600 -0.298 0.000 0.984 590 E CA 0.880 57.146 56.400 -0.223 0.000 0.806 590 E CB -0.050 29.525 29.700 -0.209 0.000 0.750 590 E HN 0.370 nan 8.360 nan 0.000 0.458 591 L N 1.027 122.063 121.223 -0.313 0.000 2.056 591 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 591 L C 2.267 179.006 176.870 -0.219 0.000 1.078 591 L CA 1.076 55.665 54.840 -0.418 0.000 0.749 591 L CB -0.369 41.280 42.059 -0.683 0.000 0.901 591 L HN 0.130 nan 8.230 nan 0.000 0.433 592 L N -0.541 120.636 121.223 -0.077 0.000 2.012 592 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 592 L C 2.593 179.262 176.870 -0.336 0.000 1.073 592 L CA 1.736 56.491 54.840 -0.142 0.000 0.748 592 L CB -0.719 41.175 42.059 -0.274 0.000 0.891 592 L HN 0.195 nan 8.230 nan 0.000 0.431 593 R N -0.771 119.521 120.500 -0.347 0.000 2.096 593 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 593 R C 2.388 178.540 176.300 -0.246 0.000 1.127 593 R CA 1.469 57.400 56.100 -0.281 0.000 0.968 593 R CB -1.693 28.442 30.300 -0.274 0.000 0.861 593 R HN 0.480 nan 8.270 nan 0.000 0.440 594 C N -0.971 118.132 119.300 -0.328 0.000 2.413 594 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 594 C C 2.426 177.125 174.990 -0.485 0.000 1.248 594 C CA 0.501 59.232 59.018 -0.479 0.000 1.742 594 C CB -1.038 26.315 27.740 -0.645 0.000 2.017 594 C HN 0.585 nan 8.230 nan 0.000 0.481 595 W N 0.380 121.557 121.300 -0.206 0.000 2.576 595 W HA 0.023 4.683 4.660 -0.000 0.000 0.270 595 W C 2.463 178.850 176.519 -0.219 0.000 1.255 595 W CA 0.213 57.475 57.345 -0.138 0.000 1.314 595 W CB -0.267 29.253 29.460 0.100 0.000 1.101 595 W HN 0.383 nan 8.180 nan 0.000 0.595 596 E N 0.541 120.727 120.200 -0.024 0.000 2.047 596 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 596 E C 1.476 178.153 176.600 0.128 0.000 0.987 596 E CA 1.337 57.770 56.400 0.054 0.000 0.799 596 E CB -0.457 29.218 29.700 -0.041 0.000 0.752 596 E HN 0.447 nan 8.360 nan 0.000 0.449 597 N N -0.471 118.266 118.700 0.062 0.000 2.381 597 N HA -0.150 4.590 4.740 -0.000 0.000 0.182 597 N C 1.586 177.229 175.510 0.222 0.000 1.025 597 N CA 0.367 53.505 53.050 0.147 0.000 0.888 597 N CB -0.042 38.530 38.487 0.142 0.000 0.965 597 N HN 0.188 nan 8.380 nan 0.000 0.438 598 Y N 1.084 121.383 120.300 -0.002 0.000 2.220 598 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 598 Y C 2.087 178.212 175.900 0.375 0.000 1.129 598 Y CA 1.598 59.772 58.100 0.123 0.000 1.161 598 Y CB -0.193 38.296 38.460 0.049 0.000 0.997 598 Y HN 0.180 nan 8.280 nan 0.000 0.522 599 H N -0.366 118.862 119.070 0.262 0.000 2.387 599 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 599 H C 2.274 177.685 175.328 0.138 0.000 1.099 599 H CA 1.108 57.254 56.048 0.163 0.000 1.315 599 H CB 0.037 29.941 29.762 0.236 0.000 1.380 599 H HN 0.309 nan 8.280 nan 0.000 0.513 600 R N 0.585 121.256 120.500 0.286 0.000 2.073 600 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 600 R C 2.494 178.888 176.300 0.158 0.000 1.134 600 R CA 0.952 57.177 56.100 0.210 0.000 0.952 600 R CB -0.611 29.802 30.300 0.187 0.000 0.850 600 R HN 0.343 nan 8.270 nan 0.000 0.433 601 L N -0.154 121.164 121.223 0.157 0.000 1.971 601 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 601 L C 2.213 179.107 176.870 0.040 0.000 1.072 601 L CA 1.789 56.680 54.840 0.086 0.000 0.758 601 L CB -0.390 41.754 42.059 0.142 0.000 0.889 601 L HN 0.229 nan 8.230 nan 0.000 0.433 602 W N 0.435 121.646 121.300 -0.149 0.000 2.301 602 W HA -0.297 4.363 4.660 0.000 0.000 0.325 602 W C 2.695 179.193 176.519 -0.035 0.000 1.250 602 W CA 2.625 59.892 57.345 -0.130 0.000 1.261 602 W CB -0.802 28.538 29.460 -0.201 0.000 1.157 602 W HN 0.156 nan 8.180 nan 0.000 0.473 603 T N -0.317 114.421 114.554 0.306 0.000 2.607 603 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 603 T C 1.733 176.524 174.700 0.151 0.000 1.049 603 T CA 2.005 64.244 62.100 0.232 0.000 1.162 603 T CB -1.213 67.807 68.868 0.253 0.000 0.863 603 T HN 0.041 nan 8.240 nan 0.000 0.424 604 V N 1.603 121.580 119.914 0.105 0.000 2.407 604 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 604 V C 2.671 178.822 176.094 0.094 0.000 1.055 604 V CA 2.066 64.405 62.300 0.065 0.000 1.049 604 V CB -0.542 31.227 31.823 -0.089 0.000 0.662 604 V HN 0.386 nan 8.190 nan 0.000 0.455 605 R N -0.729 119.808 120.500 0.060 0.000 2.081 605 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 605 R C 2.221 178.621 176.300 0.166 0.000 1.131 605 R CA 2.204 58.364 56.100 0.102 0.000 0.960 605 R CB -0.391 29.905 30.300 -0.008 0.000 0.856 605 R HN 0.498 nan 8.270 nan 0.000 0.436 606 L N 0.412 121.699 121.223 0.106 0.000 2.027 606 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 606 L C 2.303 179.244 176.870 0.118 0.000 1.074 606 L CA 2.321 57.233 54.840 0.119 0.000 0.745 606 L CB -0.783 41.349 42.059 0.122 0.000 0.898 606 L HN 0.329 nan 8.230 nan 0.000 0.433 607 H N -1.080 117.984 119.070 -0.009 0.000 2.390 607 H HA -0.232 4.324 4.556 0.000 0.000 0.298 607 H C 2.022 177.385 175.328 0.059 0.000 1.106 607 H CA 2.571 58.600 56.048 -0.032 0.000 1.297 607 H CB -0.086 29.664 29.762 -0.020 0.000 1.375 607 H HN 0.362 nan 8.280 nan 0.000 0.509 608 M N -0.454 119.170 119.600 0.039 0.000 2.288 608 M HA -0.101 4.379 4.480 -0.000 0.000 0.266 608 M C 2.321 178.826 176.300 0.341 0.000 1.072 608 M CA 1.289 56.627 55.300 0.062 0.000 1.132 608 M CB 0.068 32.690 32.600 0.037 0.000 1.386 608 M HN 0.394 nan 8.290 nan 0.000 0.432 609 Q N -0.636 119.389 119.800 0.375 0.000 2.119 609 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 609 Q C 1.853 177.967 176.000 0.191 0.000 0.972 609 Q CA 1.156 57.093 55.803 0.223 0.000 0.847 609 Q CB -0.089 28.682 28.738 0.055 0.000 0.903 609 Q HN 0.640 nan 8.270 nan 0.000 0.433 610 H N 0.180 119.266 119.070 0.026 0.000 2.389 610 H HA -0.080 4.476 4.556 0.000 0.000 0.299 610 H C 2.290 177.643 175.328 0.042 0.000 1.081 610 H CA 1.417 57.475 56.048 0.017 0.000 1.345 610 H CB 0.113 29.865 29.762 -0.016 0.000 1.393 610 H HN 0.378 nan 8.280 nan 0.000 0.520 611 I N -1.253 119.353 120.570 0.060 0.000 2.546 611 I HA -0.005 4.165 4.170 -0.000 0.000 0.255 611 I C 2.533 178.689 176.117 0.065 0.000 1.163 611 I CA 1.166 62.463 61.300 -0.004 0.000 1.457 611 I CB -0.277 37.544 38.000 -0.297 0.000 1.092 611 I HN -0.008 nan 8.210 nan 0.000 0.434 612 A N 1.074 123.979 122.820 0.142 0.000 1.969 612 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 612 A C 2.144 179.787 177.584 0.098 0.000 1.169 612 A CA 1.320 53.462 52.037 0.175 0.000 0.635 612 A CB -0.968 18.224 19.000 0.321 0.000 0.810 612 A HN 0.585 nan 8.150 nan 0.000 0.445 613 F N 0.290 120.208 119.950 -0.055 0.000 2.074 613 F HA 0.065 4.592 4.527 -0.000 0.000 0.293 613 F C 1.263 176.867 175.800 -0.327 0.000 1.116 613 F CA 1.024 58.971 58.000 -0.088 0.000 1.212 613 F CB -0.147 38.809 39.000 -0.073 0.000 0.998 613 F HN 0.075 nan 8.300 nan 0.000 0.471 614 R N 2.094 122.432 120.500 -0.270 0.000 2.474 614 R HA -0.039 4.301 4.340 -0.000 0.000 0.339 614 R C -0.358 175.254 176.300 -1.147 0.000 1.033 614 R CA 0.197 55.729 56.100 -0.947 0.000 0.997 614 R CB -0.339 29.744 30.300 -0.361 0.000 0.963 614 R HN 0.390 nan 8.270 nan 0.000 0.438 615 E N 4.562 123.607 120.200 -1.924 0.000 2.452 615 E HA -0.001 4.349 4.350 -0.000 0.000 0.293 615 E C -0.721 175.126 176.600 -1.254 0.000 1.535 615 E CA -0.040 55.417 56.400 -1.571 0.000 1.816 615 E CB 0.143 28.892 29.700 -1.585 0.000 1.494 615 E HN 0.647 nan 8.360 nan 0.000 0.464 616 E N -1.924 117.806 120.200 -0.782 0.000 2.437 616 E HA 0.385 4.735 4.350 -0.000 0.000 0.280 616 E C -1.026 175.427 176.600 -0.245 0.000 1.044 616 E CA -1.041 55.144 56.400 -0.357 0.000 0.826 616 E CB 1.001 30.488 29.700 -0.355 0.000 1.358 616 E HN -0.148 nan 8.360 nan 0.000 0.459 617 S N 0.692 116.280 115.700 -0.187 0.000 2.665 617 S HA 0.177 4.647 4.470 -0.000 0.000 0.230 617 S C 0.373 174.720 174.600 -0.421 0.000 1.326 617 S CA -0.639 57.378 58.200 -0.305 0.000 1.055 617 S CB 0.558 63.657 63.200 -0.168 0.000 1.178 617 S HN 0.552 nan 8.310 nan 0.000 0.489 618 R N 1.948 122.113 120.500 -0.558 0.000 2.148 618 R HA 0.021 4.361 4.340 -0.000 0.000 0.223 618 R C -0.512 175.187 176.300 -1.002 0.000 1.088 618 R CA 1.319 56.955 56.100 -0.774 0.000 0.985 618 R CB -0.113 29.647 30.300 -0.900 0.000 0.880 618 R HN 0.612 nan 8.270 nan 0.000 0.451 619 Y N 1.209 121.228 120.300 -0.469 0.000 2.638 619 Y HA 0.426 4.976 4.550 -0.000 0.000 0.367 619 Y C -2.188 173.296 175.900 -0.694 0.000 1.001 619 Y CA -3.184 54.621 58.100 -0.493 0.000 1.133 619 Y CB 0.823 39.170 38.460 -0.189 0.000 1.199 619 Y HN 0.010 nan 8.280 nan 0.000 0.642 620 P HA 0.145 nan 4.420 nan 0.000 0.267 620 P C 1.016 177.898 177.300 -0.696 0.000 1.205 620 P CA 1.322 63.905 63.100 -0.861 0.000 0.765 620 P CB 1.645 32.917 31.700 -0.714 0.000 0.828 621 G N 2.565 110.949 108.800 -0.694 0.000 2.349 621 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.213 621 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.213 621 G C 0.604 175.371 174.900 -0.222 0.000 1.044 621 G CA -0.159 44.786 45.100 -0.259 0.000 0.633 621 G HN 0.376 nan 8.290 nan 0.000 0.506 622 F N 0.586 120.298 119.950 -0.397 0.000 2.188 622 F HA 0.450 4.977 4.527 -0.000 0.000 0.289 622 F C 1.262 176.975 175.800 -0.144 0.000 1.082 622 F CA 0.540 58.354 58.000 -0.310 0.000 1.282 622 F CB -0.691 38.238 39.000 -0.119 0.000 1.060 622 F HN 0.504 nan 8.300 nan 0.000 0.493 623 Y N -2.806 117.457 120.300 -0.062 0.000 2.609 623 Y HA 0.626 5.176 4.550 -0.000 0.000 0.336 623 Y C -2.173 173.607 175.900 -0.200 0.000 1.129 623 Y CA -2.432 55.663 58.100 -0.009 0.000 1.040 623 Y CB 0.657 39.192 38.460 0.125 0.000 1.310 623 Y HN -0.065 nan 8.280 nan 0.000 0.460 624 Y N 1.537 121.955 120.300 0.197 0.000 2.425 624 Y HA 0.597 5.147 4.550 -0.000 0.000 0.344 624 Y C -0.239 175.774 175.900 0.189 0.000 0.969 624 Y CA -1.265 56.878 58.100 0.071 0.000 1.052 624 Y CB 1.793 40.314 38.460 0.101 0.000 1.215 624 Y HN 0.417 nan 8.280 nan 0.000 0.451 625 R N 2.021 122.682 120.500 0.269 0.000 2.220 625 R HA 0.353 4.693 4.340 -0.000 0.000 0.340 625 R C 0.754 177.180 176.300 0.210 0.000 1.076 625 R CA -0.012 56.249 56.100 0.269 0.000 0.920 625 R CB 1.105 31.564 30.300 0.263 0.000 1.062 625 R HN 1.028 nan 8.270 nan 0.000 0.469 626 A N 3.284 126.205 122.820 0.169 0.000 1.940 626 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 626 A C 1.247 178.837 177.584 0.010 0.000 1.176 626 A CA 1.877 53.964 52.037 0.083 0.000 0.631 626 A CB -0.101 18.938 19.000 0.065 0.000 0.814 626 A HN 0.696 nan 8.150 nan 0.000 0.446 627 D N -2.135 118.261 120.400 -0.008 0.000 2.347 627 D HA 0.069 4.709 4.640 -0.000 0.000 0.213 627 D C -0.219 175.730 176.300 -0.585 0.000 0.985 627 D CA 0.249 54.100 54.000 -0.248 0.000 0.879 627 D CB -0.246 40.420 40.800 -0.224 0.000 0.919 627 D HN 0.411 nan 8.370 nan 0.000 0.526 628 F N 0.810 120.768 119.950 0.012 0.000 2.794 628 F HA 0.210 4.737 4.527 -0.000 0.000 0.353 628 F C 0.964 176.756 175.800 -0.013 0.000 1.371 628 F CA -0.714 57.278 58.000 -0.014 0.000 1.173 628 F CB 1.274 40.239 39.000 -0.058 0.000 1.693 628 F HN -0.244 nan 8.300 nan 0.000 0.606 629 L N 0.626 121.912 121.223 0.105 0.000 2.141 629 L HA 0.164 4.504 4.340 -0.000 0.000 0.209 629 L C 1.319 178.240 176.870 0.084 0.000 1.094 629 L CA 1.278 56.181 54.840 0.106 0.000 0.763 629 L CB -0.686 41.414 42.059 0.068 0.000 0.908 629 L HN 0.505 nan 8.230 nan 0.000 0.437 630 G N -0.736 108.091 108.800 0.045 0.000 2.462 630 G HA2 0.462 4.422 3.960 -0.000 0.000 0.319 630 G HA3 0.462 4.422 3.960 -0.000 0.000 0.319 630 G C -0.748 174.129 174.900 -0.038 0.000 1.171 630 G CA -0.508 44.579 45.100 -0.021 0.000 0.920 630 G HN 0.155 nan 8.290 nan 0.000 0.499 631 L N -0.871 120.289 121.223 -0.104 0.000 2.375 631 L HA 0.761 5.101 4.340 -0.000 0.000 0.271 631 L C -0.680 176.161 176.870 -0.048 0.000 1.107 631 L CA -0.869 53.901 54.840 -0.116 0.000 0.806 631 L CB 1.883 43.819 42.059 -0.206 0.000 1.146 631 L HN 0.313 nan 8.230 nan 0.000 0.447 632 D N 0.935 121.348 120.400 0.021 0.000 2.549 632 D HA 0.279 4.919 4.640 -0.000 0.000 0.251 632 D C -0.533 175.840 176.300 0.122 0.000 1.153 632 D CA -0.224 53.839 54.000 0.105 0.000 0.861 632 D CB 1.622 42.560 40.800 0.230 0.000 1.207 632 D HN 0.710 nan 8.370 nan 0.000 0.543 633 D N 1.256 121.704 120.400 0.079 0.000 2.355 633 D HA -0.079 4.561 4.640 -0.000 0.000 0.206 633 D C 1.838 178.153 176.300 0.025 0.000 1.010 633 D CA 0.513 54.554 54.000 0.068 0.000 0.875 633 D CB 0.495 41.345 40.800 0.084 0.000 0.966 633 D HN 0.480 nan 8.370 nan 0.000 0.512 634 S N 0.248 115.954 115.700 0.010 0.000 2.402 634 S HA -0.044 4.426 4.470 -0.000 0.000 0.229 634 S C 1.740 176.281 174.600 -0.098 0.000 1.021 634 S CA 0.757 58.938 58.200 -0.032 0.000 0.974 634 S CB 0.124 63.310 63.200 -0.024 0.000 0.800 634 S HN 0.085 nan 8.310 nan 0.000 0.484 635 K N -1.019 119.298 120.400 -0.139 0.000 2.350 635 K HA 0.208 4.528 4.320 -0.000 0.000 0.196 635 K C 0.198 176.437 176.600 -0.603 0.000 1.084 635 K CA 0.286 56.320 56.287 -0.422 0.000 0.967 635 K CB 0.216 32.394 32.500 -0.537 0.000 0.950 635 K HN 0.480 nan 8.250 nan 0.000 0.512 636 W N 1.444 122.707 121.300 -0.062 0.000 2.599 636 W HA 0.240 4.900 4.660 -0.000 0.000 0.396 636 W C 0.070 176.545 176.519 -0.074 0.000 0.944 636 W CA -0.703 56.603 57.345 -0.065 0.000 2.042 636 W CB 0.603 30.008 29.460 -0.093 0.000 1.184 636 W HN -0.277 nan 8.180 nan 0.000 0.604 637 K N 2.619 123.053 120.400 0.057 0.000 2.278 637 K HA 0.297 4.617 4.320 -0.000 0.000 0.237 637 K C -0.383 176.181 176.600 -0.059 0.000 1.229 637 K CA 0.228 56.507 56.287 -0.012 0.000 1.155 637 K CB -0.700 31.801 32.500 0.002 0.000 1.590 637 K HN 0.209 nan 8.250 nan 0.000 0.290 638 C N -1.199 118.047 119.300 -0.090 0.000 3.216 638 C HA 0.544 5.004 4.460 -0.000 0.000 0.346 638 C C -0.869 174.044 174.990 -0.128 0.000 1.384 638 C CA -1.779 57.154 59.018 -0.143 0.000 1.208 638 C CB 0.271 28.022 27.740 0.019 0.000 1.483 638 C HN 0.346 nan 8.230 nan 0.000 0.453 639 F N 0.784 120.885 119.950 0.252 0.000 2.375 639 F HA 0.588 5.115 4.527 -0.000 0.000 0.333 639 F C 0.567 176.470 175.800 0.171 0.000 1.104 639 F CA -0.730 57.411 58.000 0.235 0.000 1.149 639 F CB 1.157 40.337 39.000 0.299 0.000 1.190 639 F HN 0.437 nan 8.300 nan 0.000 0.533 640 V N 3.215 123.333 119.914 0.341 0.000 2.364 640 V HA 0.257 4.377 4.120 -0.000 0.000 0.272 640 V C -0.415 175.632 176.094 -0.079 0.000 1.036 640 V CA -0.531 61.824 62.300 0.092 0.000 0.880 640 V CB 0.828 32.719 31.823 0.112 0.000 0.991 640 V HN 0.669 nan 8.190 nan 0.000 0.460 641 N N 2.390 120.804 118.700 -0.478 0.000 2.404 641 N HA 0.766 5.506 4.740 -0.000 0.000 0.297 641 N C -0.591 174.353 175.510 -0.944 0.000 1.163 641 N CA -0.440 52.226 53.050 -0.640 0.000 0.864 641 N CB 2.171 40.139 38.487 -0.866 0.000 1.247 641 N HN 0.785 nan 8.380 nan 0.000 0.510 642 S N -0.678 114.772 115.700 -0.416 0.000 2.569 642 S HA 0.641 5.111 4.470 -0.000 0.000 0.280 642 S C -1.104 173.540 174.600 0.073 0.000 1.111 642 S CA -0.942 57.149 58.200 -0.182 0.000 0.887 642 S CB 2.200 65.447 63.200 0.077 0.000 1.095 642 S HN 0.508 nan 8.310 nan 0.000 0.476 643 K N 1.379 121.902 120.400 0.205 0.000 2.541 643 K HA 0.383 4.703 4.320 -0.000 0.000 0.250 643 K C -2.031 174.720 176.600 0.252 0.000 0.950 643 K CA -0.681 55.745 56.287 0.232 0.000 0.805 643 K CB 1.412 34.050 32.500 0.230 0.000 1.166 643 K HN 0.748 nan 8.250 nan 0.000 0.430 644 Y N 3.310 123.706 120.300 0.160 0.000 2.316 644 Y HA 0.213 4.763 4.550 -0.000 0.000 0.331 644 Y C -0.506 175.480 175.900 0.144 0.000 1.083 644 Y CA -0.387 57.830 58.100 0.195 0.000 1.206 644 Y CB 1.074 39.725 38.460 0.319 0.000 1.195 644 Y HN 0.578 nan 8.280 nan 0.000 0.497 645 D N 8.485 128.540 120.400 -0.576 0.000 2.396 645 D HA 0.219 4.859 4.640 -0.000 0.000 0.225 645 D C -2.113 173.711 176.300 -0.794 0.000 1.121 645 D CA -1.971 51.737 54.000 -0.486 0.000 0.853 645 D CB 2.001 42.664 40.800 -0.229 0.000 1.043 645 D HN 0.403 nan 8.370 nan 0.000 0.500 646 P HA -0.059 nan 4.420 nan 0.000 0.217 646 P C 1.010 178.264 177.300 -0.076 0.000 1.150 646 P CA 0.843 63.820 63.100 -0.206 0.000 0.832 646 P CB 0.289 31.997 31.700 0.015 0.000 0.787 647 A N -0.950 121.825 122.820 -0.075 0.000 2.015 647 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 647 A C 2.029 179.603 177.584 -0.016 0.000 1.163 647 A CA 1.708 53.733 52.037 -0.019 0.000 0.646 647 A CB -0.682 18.310 19.000 -0.013 0.000 0.806 647 A HN 0.014 nan 8.150 nan 0.000 0.448 648 K N -1.809 118.554 120.400 -0.061 0.000 2.360 648 K HA 0.239 4.559 4.320 -0.000 0.000 0.196 648 K C -0.054 176.549 176.600 0.005 0.000 1.049 648 K CA 0.121 56.392 56.287 -0.026 0.000 1.049 648 K CB 0.438 32.917 32.500 -0.035 0.000 0.881 648 K HN 0.265 nan 8.250 nan 0.000 0.542 649 K N 0.863 121.252 120.400 -0.019 0.000 3.071 649 K HA -0.199 4.121 4.320 -0.000 0.000 0.265 649 K C -1.127 175.606 176.600 0.222 0.000 1.060 649 K CA 0.712 57.109 56.287 0.185 0.000 0.767 649 K CB -1.417 31.226 32.500 0.239 0.000 1.241 649 K HN 0.264 nan 8.250 nan 0.000 0.486 650 E N -0.583 119.648 120.200 0.051 0.000 2.248 650 E HA 0.357 4.707 4.350 -0.000 0.000 0.267 650 E C -0.833 175.870 176.600 0.171 0.000 0.877 650 E CA -0.871 55.594 56.400 0.110 0.000 0.759 650 E CB 1.735 31.459 29.700 0.039 0.000 1.182 650 E HN 0.069 nan 8.360 nan 0.000 0.418 651 T N 3.020 117.702 114.554 0.214 0.000 2.821 651 T HA 0.261 4.611 4.350 -0.000 0.000 0.307 651 T C -0.388 174.375 174.700 0.105 0.000 1.034 651 T CA -0.757 61.478 62.100 0.224 0.000 0.953 651 T CB 0.412 69.412 68.868 0.219 0.000 0.968 651 T HN 0.155 nan 8.240 nan 0.000 0.462 652 K N 3.468 123.935 120.400 0.113 0.000 2.312 652 K HA 0.417 4.737 4.320 -0.000 0.000 0.287 652 K C -0.353 176.292 176.600 0.074 0.000 1.062 652 K CA -0.255 56.093 56.287 0.103 0.000 0.934 652 K CB 0.792 33.369 32.500 0.128 0.000 1.027 652 K HN 0.552 nan 8.250 nan 0.000 0.478 653 I N 5.171 125.685 120.570 -0.092 0.000 2.354 653 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 653 I C -0.394 175.385 176.117 -0.564 0.000 0.989 653 I CA -0.912 60.090 61.300 -0.497 0.000 1.188 653 I CB 0.438 37.989 38.000 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-0.038 63.170 63.100 0.181 0.000 0.768 657 P CB 0.163 31.907 31.700 0.074 0.000 0.842 658 Y N 3.836 124.095 120.300 -0.069 0.000 2.330 658 Y HA 0.461 5.011 4.550 -0.000 0.000 0.336 658 Y C -1.261 174.598 175.900 -0.069 0.000 1.036 658 Y CA -0.827 57.262 58.100 -0.019 0.000 1.125 658 Y CB 0.627 38.829 38.460 -0.429 0.000 1.194 658 Y HN 0.316 nan 8.280 nan 0.000 0.469 659 Y N 4.614 124.662 120.300 -0.420 0.000 2.341 659 Y HA 0.294 4.843 4.550 -0.000 0.000 0.337 659 Y C 0.144 175.500 175.900 -0.905 0.000 1.014 659 Y CA -0.658 57.058 58.100 -0.640 0.000 1.111 659 Y CB 1.395 39.500 38.460 -0.592 0.000 1.194 659 Y HN 0.561 nan 8.280 nan 0.000 0.462 660 Q N 3.425 122.876 119.800 -0.582 0.000 2.286 660 Q HA 0.344 4.684 4.340 -0.000 0.000 0.257 660 Q C -0.215 175.765 176.000 -0.033 0.000 0.941 660 Q CA 0.197 55.864 55.803 -0.228 0.000 0.912 660 Q CB 0.698 29.413 28.738 -0.039 0.000 1.192 660 Q HN 0.949 nan 8.270 nan 0.000 0.410 661 I N 2.970 123.576 120.570 0.060 0.000 3.971 661 I HA 0.116 4.286 4.170 -0.000 0.000 0.303 661 I C 0.151 176.304 176.117 0.060 0.000 1.233 661 I CA -0.182 61.164 61.300 0.077 0.000 1.346 661 I CB 0.623 38.716 38.000 0.155 0.000 1.273 661 I HN 0.518 nan 8.210 nan 0.000 0.448 662 I N 3.235 123.857 120.570 0.086 0.000 2.342 662 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 662 I C -2.136 174.020 176.117 0.065 0.000 1.010 662 I CA -2.399 58.941 61.300 0.067 0.000 1.308 662 I CB -0.097 37.959 38.000 0.093 0.000 1.400 662 I HN -0.209 nan 8.210 nan 0.000 0.488 663 P HA 0.115 nan 4.420 nan 0.000 0.272 663 P C -0.254 177.070 177.300 0.040 0.000 1.254 663 P CA 0.030 63.153 63.100 0.038 0.000 0.795 663 P CB 0.486 32.202 31.700 0.026 0.000 1.022 664 D N 0.000 120.417 120.400 0.029 0.000 6.856 664 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 664 D CA 0.000 54.012 54.000 0.020 0.000 0.868 664 D CB 0.000 40.814 40.800 0.024 0.000 0.688 664 D HN 0.000 nan 8.370 nan 0.000 0.683