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 1ygg_1_A DATA FIRST_RESID 4 DATA SEQUENCE DLNKLVKELN DLGLTDVKEI VYNPSYEQLF EEETKPGLEG FDKGTLTTLG DATA SEQUENCE AVAVDTGIFT GRSPKDKYIV CDETTKDTVW WNSEAXAKND NKPMTQETWK DATA SEQUENCE SLRELVAKQL SGKRLFVVEG YCGASEKHRI GVRMVTEVAW QAHFVKNMFI DATA SEQUENCE RPTDEELKNF KADFTVLNGA KCTNPNWKEQ GLNSENFVAF NITEGIQLIG DATA SEQUENCE GTWYGGEMKK GMFSMMNYFL PLKGVASMHC SANVGKDGDV AIFFGLSGTG DATA SEQUENCE KTTLSTDPKR QLIGDDEHGW DESGVFNFEG GCYAKTINLS QENEPDIYGA DATA SEQUENCE IRRDALLENV VVRADGSVDF DDGSKTENTR VSYPIYHIDN IVRPVSKAGH DATA SEQUENCE ATKVIFLTAD AFGVLPPVSK LTPEQTEYYF LSGFTAKLXX XXXXXXEPTP DATA SEQUENCE TFSACFGAAF LSLHPIQYAD VLVERMKASG AEAYLVNTGW NGTGKRISIK DATA SEQUENCE DTRGIIDAIL DGSIEKAEMG ELPIFNLAIP KALPGVDPAI LDPRDTYADK DATA SEQUENCE AQWQVKAEDL ANRFVKNFVK YTANPEAAKL VGAGPK 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.295 176.300 -0.009 0.000 2.045 4 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 4 D CB 0.000 40.804 40.800 0.006 0.000 0.688 5 L N 1.109 122.322 121.223 -0.016 0.000 2.201 5 L HA -0.007 4.333 4.340 -0.000 0.000 0.212 5 L C 2.201 179.060 176.870 -0.020 0.000 1.105 5 L CA 2.149 56.974 54.840 -0.024 0.000 0.775 5 L CB -0.142 41.899 42.059 -0.029 0.000 0.913 5 L HN 0.781 nan 8.230 nan 0.000 0.440 6 N N -0.122 118.570 118.700 -0.014 0.000 2.084 6 N HA -0.269 4.470 4.740 -0.000 0.000 0.190 6 N C 2.010 177.515 175.510 -0.008 0.000 1.030 6 N CA 1.604 54.647 53.050 -0.011 0.000 0.849 6 N CB 0.014 38.496 38.487 -0.008 0.000 1.012 6 N HN 0.396 nan 8.380 nan 0.000 0.423 7 K N 0.445 120.844 120.400 -0.003 0.000 2.057 7 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 7 K C 2.265 178.867 176.600 0.002 0.000 1.049 7 K CA 0.843 57.132 56.287 0.003 0.000 0.931 7 K CB -0.217 32.290 32.500 0.011 0.000 0.714 7 K HN 0.126 nan 8.250 nan 0.000 0.440 8 L N 1.102 122.324 121.223 -0.002 0.000 2.012 8 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 8 L C 1.984 178.846 176.870 -0.013 0.000 1.073 8 L CA 1.577 56.413 54.840 -0.007 0.000 0.748 8 L CB -0.575 41.472 42.059 -0.020 0.000 0.891 8 L HN 0.006 nan 8.230 nan 0.000 0.431 9 V N -0.461 119.441 119.914 -0.019 0.000 2.407 9 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 9 V C 2.640 178.725 176.094 -0.017 0.000 1.055 9 V CA 2.050 64.336 62.300 -0.023 0.000 1.049 9 V CB -0.760 31.047 31.823 -0.026 0.000 0.662 9 V HN 0.435 nan 8.190 nan 0.000 0.455 10 K N 0.000 120.394 120.400 -0.011 0.000 2.057 10 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 10 K C 2.163 178.760 176.600 -0.005 0.000 1.050 10 K CA 1.491 57.774 56.287 -0.007 0.000 0.935 10 K CB -0.158 32.340 32.500 -0.004 0.000 0.715 10 K HN 0.565 nan 8.250 nan 0.000 0.439 11 E N 0.346 120.545 120.200 -0.001 0.000 2.150 11 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 11 E C 1.864 178.463 176.600 -0.002 0.000 0.985 11 E CA 0.819 57.220 56.400 0.003 0.000 0.814 11 E CB 0.006 29.713 29.700 0.011 0.000 0.752 11 E HN 0.240 nan 8.360 nan 0.000 0.466 12 L N 0.749 121.967 121.223 -0.009 0.000 2.109 12 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 12 L C 1.959 178.819 176.870 -0.016 0.000 1.086 12 L CA 1.055 55.886 54.840 -0.015 0.000 0.760 12 L CB -0.415 41.629 42.059 -0.025 0.000 0.910 12 L HN 0.155 nan 8.230 nan 0.000 0.437 13 N N -0.134 118.557 118.700 -0.016 0.000 2.120 13 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 13 N C 1.288 176.791 175.510 -0.011 0.000 1.024 13 N CA 1.201 54.242 53.050 -0.015 0.000 0.852 13 N CB -0.040 38.438 38.487 -0.014 0.000 1.003 13 N HN 0.275 nan 8.380 nan 0.000 0.424 14 D N 0.946 121.342 120.400 -0.006 0.000 2.182 14 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 14 D C 1.777 178.078 176.300 0.001 0.000 0.986 14 D CA 0.770 54.769 54.000 -0.001 0.000 0.847 14 D CB -0.155 40.647 40.800 0.003 0.000 0.942 14 D HN 0.302 nan 8.370 nan 0.000 0.467 15 L N -0.934 120.289 121.223 -0.001 0.000 2.478 15 L HA 0.091 4.431 4.340 -0.000 0.000 0.223 15 L C 1.638 178.499 176.870 -0.014 0.000 1.140 15 L CA 0.740 55.580 54.840 0.000 0.000 0.842 15 L CB -0.011 42.047 42.059 -0.001 0.000 0.953 15 L HN 0.184 nan 8.230 nan 0.000 0.452 16 G N -0.426 108.363 108.800 -0.018 0.000 2.192 16 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.193 16 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.193 16 G C 0.134 175.015 174.900 -0.031 0.000 0.999 16 G CA -0.631 44.453 45.100 -0.027 0.000 0.659 16 G HN 0.106 nan 8.290 nan 0.000 0.503 17 L N 2.573 123.778 121.223 -0.030 0.000 2.319 17 L HA 0.546 4.886 4.340 -0.000 0.000 0.280 17 L C 1.136 177.988 176.870 -0.029 0.000 1.099 17 L CA 0.447 55.268 54.840 -0.033 0.000 0.828 17 L CB 1.007 43.045 42.059 -0.035 0.000 1.150 17 L HN 0.414 nan 8.230 nan 0.000 0.442 18 T N -1.847 112.690 114.554 -0.029 0.000 2.942 18 T HA 0.305 4.655 4.350 -0.000 0.000 0.289 18 T C 0.079 174.763 174.700 -0.027 0.000 1.044 18 T CA -0.680 61.404 62.100 -0.026 0.000 1.023 18 T CB 1.790 70.644 68.868 -0.023 0.000 1.123 18 T HN 0.608 nan 8.240 nan 0.000 0.512 19 D N 0.089 120.474 120.400 -0.025 0.000 2.686 19 D HA -0.147 4.493 4.640 -0.000 0.000 0.235 19 D C -0.304 175.977 176.300 -0.033 0.000 1.160 19 D CA 0.378 54.362 54.000 -0.026 0.000 0.645 19 D CB -1.449 39.338 40.800 -0.023 0.000 1.039 19 D HN 0.596 nan 8.370 nan 0.000 0.423 20 V N 1.833 121.725 119.914 -0.036 0.000 2.479 20 V HA 0.071 4.190 4.120 -0.000 0.000 0.281 20 V C 1.429 177.492 176.094 -0.051 0.000 1.031 20 V CA 0.032 62.304 62.300 -0.047 0.000 1.038 20 V CB 1.260 33.054 31.823 -0.048 0.000 0.981 20 V HN 0.124 nan 8.190 nan 0.000 0.478 21 K N 3.336 123.699 120.400 -0.061 0.000 3.290 21 K HA 0.263 4.583 4.320 -0.000 0.000 0.271 21 K C 0.527 177.079 176.600 -0.080 0.000 1.071 21 K CA -0.450 55.799 56.287 -0.063 0.000 1.609 21 K CB 0.077 32.539 32.500 -0.063 0.000 2.191 21 K HN 0.751 nan 8.250 nan 0.000 0.698 22 E N 1.003 121.146 120.200 -0.096 0.000 2.360 22 E HA 0.121 4.470 4.350 -0.000 0.000 0.269 22 E C -0.729 175.772 176.600 -0.165 0.000 1.022 22 E CA 0.007 56.338 56.400 -0.115 0.000 0.887 22 E CB 0.352 29.983 29.700 -0.115 0.000 0.990 22 E HN 0.228 nan 8.360 nan 0.000 0.426 23 I N 4.749 125.230 120.570 -0.148 0.000 2.389 23 I HA 0.159 4.329 4.170 -0.000 0.000 0.288 23 I C -0.718 175.296 176.117 -0.172 0.000 0.999 23 I CA -1.000 60.197 61.300 -0.172 0.000 1.129 23 I CB 1.909 39.840 38.000 -0.114 0.000 1.288 23 I HN 0.333 nan 8.210 nan 0.000 0.444 24 V N 7.485 127.252 119.914 -0.245 0.000 2.304 24 V HA 0.242 4.362 4.120 -0.000 0.000 0.262 24 V C 0.327 176.383 176.094 -0.063 0.000 1.061 24 V CA -0.258 61.950 62.300 -0.153 0.000 0.872 24 V CB 0.138 31.840 31.823 -0.202 0.000 1.077 24 V HN 0.610 nan 8.190 nan 0.000 0.480 25 Y N 2.954 123.220 120.300 -0.055 0.000 2.350 25 Y HA 0.404 4.953 4.550 -0.000 0.000 0.340 25 Y C 1.046 176.915 175.900 -0.052 0.000 1.006 25 Y CA -1.386 56.681 58.100 -0.055 0.000 1.166 25 Y CB 0.157 38.577 38.460 -0.068 0.000 1.168 25 Y HN 0.847 nan 8.280 nan 0.000 0.502 26 N N 2.181 120.842 118.700 -0.065 0.000 2.688 26 N HA -0.119 4.621 4.740 -0.000 0.000 0.258 26 N C -2.541 172.932 175.510 -0.062 0.000 1.016 26 N CA 0.974 53.973 53.050 -0.085 0.000 0.747 26 N CB -1.005 37.410 38.487 -0.121 0.000 0.895 26 N HN 0.772 nan 8.380 nan 0.000 0.543 27 P HA 0.042 nan 4.420 nan 0.000 0.269 27 P C 0.410 177.655 177.300 -0.091 0.000 1.215 27 P CA -0.053 63.034 63.100 -0.022 0.000 0.780 27 P CB 0.668 32.395 31.700 0.045 0.000 0.898 28 S N 1.628 117.295 115.700 -0.055 0.000 2.624 28 S HA 0.099 4.569 4.470 -0.000 0.000 0.263 28 S C 1.043 175.588 174.600 -0.091 0.000 1.287 28 S CA -0.207 57.955 58.200 -0.063 0.000 0.990 28 S CB -0.052 63.164 63.200 0.026 0.000 0.950 28 S HN 0.351 nan 8.310 nan 0.000 0.561 29 Y N 0.393 120.705 120.300 0.020 0.000 2.274 29 Y HA -0.033 4.517 4.550 -0.001 0.000 0.290 29 Y C 2.666 178.581 175.900 0.026 0.000 1.145 29 Y CA 1.768 59.857 58.100 -0.018 0.000 1.203 29 Y CB -0.523 37.951 38.460 0.023 0.000 0.984 29 Y HN 0.847 nan 8.280 nan 0.000 0.533 30 E N 0.432 120.750 120.200 0.196 0.000 2.072 30 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 30 E C 1.894 178.608 176.600 0.191 0.000 0.985 30 E CA 1.651 58.162 56.400 0.185 0.000 0.801 30 E CB -0.230 29.549 29.700 0.131 0.000 0.750 30 E HN 0.523 nan 8.360 nan 0.000 0.452 31 Q N -0.181 119.691 119.800 0.120 0.000 2.124 31 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 31 Q C 2.419 178.481 176.000 0.104 0.000 0.977 31 Q CA 1.414 57.280 55.803 0.104 0.000 0.850 31 Q CB -0.148 28.634 28.738 0.074 0.000 0.901 31 Q HN 0.325 nan 8.270 nan 0.000 0.429 32 L N -0.328 120.932 121.223 0.062 0.000 2.046 32 L HA -0.186 4.153 4.340 -0.000 0.000 0.208 32 L C 2.316 179.239 176.870 0.088 0.000 1.077 32 L CA 1.026 55.877 54.840 0.019 0.000 0.747 32 L CB -0.416 41.556 42.059 -0.145 0.000 0.896 32 L HN 0.227 nan 8.230 nan 0.000 0.432 33 F N 1.171 121.135 119.950 0.024 0.000 2.134 33 F HA -0.229 4.298 4.527 -0.001 0.000 0.299 33 F C 2.362 178.207 175.800 0.075 0.000 1.097 33 F CA 1.757 59.797 58.000 0.067 0.000 1.264 33 F CB -0.175 38.869 39.000 0.072 0.000 1.001 33 F HN 0.060 nan 8.300 nan 0.000 0.479 34 E N -0.219 119.989 120.200 0.014 0.000 2.110 34 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 34 E C 2.112 178.666 176.600 -0.077 0.000 0.988 34 E CA 1.259 57.615 56.400 -0.072 0.000 0.804 34 E CB -0.198 29.549 29.700 0.078 0.000 0.745 34 E HN 0.452 nan 8.360 nan 0.000 0.458 35 E N 0.855 121.058 120.200 0.006 0.000 2.106 35 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 35 E C 1.821 178.426 176.600 0.009 0.000 0.984 35 E CA 0.886 57.319 56.400 0.054 0.000 0.806 35 E CB -0.020 29.756 29.700 0.126 0.000 0.750 35 E HN 0.382 nan 8.360 nan 0.000 0.458 36 E N -0.048 120.134 120.200 -0.030 0.000 2.208 36 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 36 E C 1.464 178.024 176.600 -0.067 0.000 0.988 36 E CA 1.391 57.797 56.400 0.010 0.000 0.828 36 E CB 0.094 29.841 29.700 0.078 0.000 0.763 36 E HN 0.212 nan 8.360 nan 0.000 0.478 37 T N -1.456 112.965 114.554 -0.221 0.000 3.134 37 T HA 0.155 4.505 4.350 -0.000 0.000 0.260 37 T C 0.435 175.053 174.700 -0.136 0.000 1.027 37 T CA -0.503 61.456 62.100 -0.235 0.000 0.913 37 T CB 0.109 68.678 68.868 -0.499 0.000 1.046 37 T HN -0.135 nan 8.240 nan 0.000 0.553 38 K N 2.675 123.030 120.400 -0.075 0.000 2.484 38 K HA 0.157 4.477 4.320 -0.000 0.000 0.280 38 K C -2.521 174.075 176.600 -0.008 0.000 1.013 38 K CA -1.311 54.962 56.287 -0.023 0.000 1.029 38 K CB 0.100 32.614 32.500 0.023 0.000 0.902 38 K HN 0.084 nan 8.250 nan 0.000 0.481 39 P HA 0.041 nan 4.420 nan 0.000 0.268 39 P C 0.078 177.385 177.300 0.011 0.000 1.204 39 P CA 0.606 63.707 63.100 0.002 0.000 0.768 39 P CB 0.863 32.566 31.700 0.004 0.000 0.842 40 G N 1.825 110.631 108.800 0.010 0.000 2.176 40 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.232 40 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.232 40 G C -0.055 174.860 174.900 0.024 0.000 0.986 40 G CA -0.564 44.545 45.100 0.015 0.000 0.643 40 G HN 0.444 nan 8.290 nan 0.000 0.522 41 L N 0.894 122.135 121.223 0.030 0.000 2.380 41 L HA 0.519 4.858 4.340 -0.000 0.000 0.273 41 L C 0.719 177.605 176.870 0.027 0.000 1.138 41 L CA 0.034 54.903 54.840 0.049 0.000 0.832 41 L CB 0.776 42.876 42.059 0.068 0.000 1.124 41 L HN 0.298 nan 8.230 nan 0.000 0.454 42 E N 0.992 121.209 120.200 0.029 0.000 2.339 42 E HA 0.609 4.959 4.350 -0.000 0.000 0.262 42 E C 0.281 176.850 176.600 -0.052 0.000 0.934 42 E CA -0.360 56.029 56.400 -0.018 0.000 0.802 42 E CB 1.668 31.358 29.700 -0.018 0.000 1.275 42 E HN 0.711 nan 8.360 nan 0.000 0.427 43 G N 0.458 109.154 108.800 -0.175 0.000 2.578 43 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.284 43 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.284 43 G C 0.289 174.939 174.900 -0.417 0.000 1.283 43 G CA 0.427 45.283 45.100 -0.407 0.000 0.944 43 G HN 0.464 nan 8.290 nan 0.000 0.558 44 F N 1.473 121.277 119.950 -0.242 0.000 2.722 44 F HA 0.124 4.650 4.527 -0.002 0.000 0.298 44 F C 2.293 178.163 175.800 0.116 0.000 1.175 44 F CA 1.486 59.288 58.000 -0.330 0.000 1.462 44 F CB -0.339 38.014 39.000 -1.077 0.000 1.111 44 F HN 0.327 nan 8.300 nan 0.000 0.592 45 D N 0.116 120.718 120.400 0.337 0.000 2.224 45 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 45 D C 1.519 178.056 176.300 0.395 0.000 0.965 45 D CA 0.922 55.218 54.000 0.493 0.000 0.852 45 D CB -0.378 40.615 40.800 0.321 0.000 0.947 45 D HN 0.245 nan 8.370 nan 0.000 0.494 46 K N 1.180 121.701 120.400 0.203 0.000 2.451 46 K HA 0.522 4.842 4.320 -0.000 0.000 0.280 46 K C 0.568 177.221 176.600 0.087 0.000 1.020 46 K CA 0.312 56.664 56.287 0.109 0.000 1.008 46 K CB -0.019 32.494 32.500 0.022 0.000 0.917 46 K HN 0.200 nan 8.250 nan 0.000 0.478 47 G N 0.933 109.769 108.800 0.061 0.000 2.417 47 G HA2 0.589 4.549 3.960 -0.000 0.000 0.334 47 G HA3 0.589 4.549 3.960 -0.000 0.000 0.334 47 G C -0.630 174.270 174.900 -0.000 0.000 1.150 47 G CA -0.291 44.820 45.100 0.018 0.000 0.923 47 G HN 0.624 nan 8.290 nan 0.000 0.485 48 T N 1.452 116.006 114.554 -0.001 0.000 2.812 48 T HA 0.311 4.661 4.350 -0.000 0.000 0.282 48 T C -0.531 174.194 174.700 0.042 0.000 0.990 48 T CA -0.385 61.719 62.100 0.008 0.000 0.960 48 T CB 1.594 70.456 68.868 -0.011 0.000 0.948 48 T HN 0.405 nan 8.240 nan 0.000 0.438 49 L N 5.409 126.677 121.223 0.075 0.000 2.385 49 L HA 0.400 4.739 4.340 -0.000 0.000 0.281 49 L C 0.849 177.763 176.870 0.074 0.000 1.106 49 L CA 0.123 55.044 54.840 0.135 0.000 0.856 49 L CB -0.131 42.057 42.059 0.215 0.000 1.186 49 L HN 0.818 nan 8.230 nan 0.000 0.453 50 T N 0.232 114.818 114.554 0.054 0.000 2.847 50 T HA 0.242 4.592 4.350 -0.000 0.000 0.279 50 T C 1.341 176.053 174.700 0.020 0.000 0.984 50 T CA 0.034 62.141 62.100 0.012 0.000 0.988 50 T CB 0.787 69.641 68.868 -0.024 0.000 1.040 50 T HN 0.729 nan 8.240 nan 0.000 0.528 51 T N -0.762 113.795 114.554 0.006 0.000 3.051 51 T HA 0.018 4.368 4.350 -0.000 0.000 0.269 51 T C 1.731 176.440 174.700 0.016 0.000 1.127 51 T CA 0.566 62.675 62.100 0.015 0.000 1.107 51 T CB -0.620 68.258 68.868 0.017 0.000 0.898 51 T HN 0.532 nan 8.240 nan 0.000 0.517 52 L N 0.327 121.555 121.223 0.008 0.000 2.492 52 L HA 0.325 4.665 4.340 -0.000 0.000 0.223 52 L C 2.282 179.146 176.870 -0.011 0.000 1.132 52 L CA 0.665 55.502 54.840 -0.004 0.000 0.850 52 L CB -0.462 41.577 42.059 -0.033 0.000 0.966 52 L HN 0.611 nan 8.230 nan 0.000 0.454 53 G N -0.360 108.444 108.800 0.006 0.000 2.194 53 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.236 53 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.236 53 G C 0.307 175.225 174.900 0.030 0.000 0.987 53 G CA -0.073 45.027 45.100 -0.001 0.000 0.635 53 G HN 0.467 nan 8.290 nan 0.000 0.520 54 A N 0.153 123.005 122.820 0.053 0.000 2.306 54 A HA 0.803 5.122 4.320 -0.000 0.000 0.314 54 A C 0.473 178.135 177.584 0.129 0.000 1.164 54 A CA -0.063 52.035 52.037 0.102 0.000 0.822 54 A CB 1.478 20.527 19.000 0.082 0.000 1.130 54 A HN 1.077 nan 8.150 nan 0.000 0.496 55 V N 1.253 121.285 119.914 0.196 0.000 2.649 55 V HA 0.502 4.622 4.120 -0.000 0.000 0.292 55 V C 0.769 176.902 176.094 0.064 0.000 1.055 55 V CA 0.414 62.816 62.300 0.170 0.000 1.023 55 V CB 1.181 33.154 31.823 0.251 0.000 0.992 55 V HN 1.133 nan 8.190 nan 0.000 0.480 56 A N 4.701 127.523 122.820 0.003 0.000 2.365 56 A HA 0.904 5.224 4.320 -0.000 0.000 0.318 56 A C -0.626 176.875 177.584 -0.137 0.000 1.091 56 A CA -0.462 51.534 52.037 -0.069 0.000 0.763 56 A CB 1.827 20.788 19.000 -0.066 0.000 1.248 56 A HN 1.332 nan 8.150 nan 0.000 0.442 57 V N -1.070 118.684 119.914 -0.267 0.000 3.102 57 V HA 0.797 4.916 4.120 -0.000 0.000 0.312 57 V C -1.328 174.581 176.094 -0.307 0.000 1.135 57 V CA -0.994 61.074 62.300 -0.387 0.000 1.022 57 V CB 2.146 33.367 31.823 -1.002 0.000 1.056 57 V HN 0.719 nan 8.190 nan 0.000 0.436 58 D N 1.248 121.552 120.400 -0.160 0.000 2.269 58 D HA 0.563 5.203 4.640 -0.000 0.000 0.244 58 D C 0.712 176.961 176.300 -0.085 0.000 0.992 58 D CA 0.287 54.249 54.000 -0.063 0.000 0.894 58 D CB 2.198 43.050 40.800 0.088 0.000 1.248 58 D HN 0.971 nan 8.370 nan 0.000 0.468 59 T N -1.962 112.508 114.554 -0.140 0.000 3.054 59 T HA 0.461 4.811 4.350 -0.000 0.000 0.255 59 T C 1.015 175.361 174.700 -0.590 0.000 1.035 59 T CA 0.370 62.413 62.100 -0.095 0.000 0.941 59 T CB 0.235 69.243 68.868 0.232 0.000 1.026 59 T HN 0.695 nan 8.240 nan 0.000 0.533 60 G N 2.006 110.171 108.800 -1.057 0.000 2.499 60 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 60 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 60 G C 0.506 175.138 174.900 -0.447 0.000 1.251 60 G CA -0.223 44.112 45.100 -1.275 0.000 0.917 60 G HN 0.368 nan 8.290 nan 0.000 0.580 61 I N 0.240 120.611 120.570 -0.332 0.000 2.394 61 I HA 0.067 4.237 4.170 -0.000 0.000 0.251 61 I C 0.953 176.856 176.117 -0.356 0.000 1.136 61 I CA 0.959 62.073 61.300 -0.309 0.000 1.425 61 I CB -0.187 37.589 38.000 -0.374 0.000 1.079 61 I HN 0.151 nan 8.210 nan 0.000 0.425 62 F N 1.220 121.120 119.950 -0.082 0.000 2.375 62 F HA 0.143 4.671 4.527 0.002 0.000 0.362 62 F C 1.274 177.052 175.800 -0.036 0.000 1.129 62 F CA -0.465 57.508 58.000 -0.046 0.000 1.154 62 F CB 0.685 39.703 39.000 0.029 0.000 1.205 62 F HN -0.125 nan 8.300 nan 0.000 0.513 63 T N -0.567 114.000 114.554 0.022 0.000 3.228 63 T HA 0.626 4.976 4.350 -0.000 0.000 0.278 63 T C 0.364 174.819 174.700 -0.408 0.000 1.014 63 T CA -0.157 61.927 62.100 -0.026 0.000 0.904 63 T CB -0.133 68.724 68.868 -0.019 0.000 1.110 63 T HN 0.684 nan 8.240 nan 0.000 0.541 64 G N 0.362 108.684 108.800 -0.797 0.000 2.550 64 G HA2 0.551 4.511 3.960 -0.000 0.000 0.293 64 G HA3 0.551 4.511 3.960 -0.000 0.000 0.293 64 G C -1.318 173.100 174.900 -0.803 0.000 1.402 64 G CA -1.255 43.152 45.100 -1.155 0.000 0.784 64 G HN 0.266 nan 8.290 nan 0.000 0.482 65 R N -0.491 119.808 120.500 -0.335 0.000 2.738 65 R HA 0.448 4.788 4.340 -0.000 0.000 0.268 65 R C -0.075 176.241 176.300 0.028 0.000 1.062 65 R CA 0.133 56.257 56.100 0.040 0.000 1.158 65 R CB 0.979 31.403 30.300 0.208 0.000 1.046 65 R HN 0.321 nan 8.270 nan 0.000 0.493 66 S N 2.235 117.950 115.700 0.026 0.000 2.150 66 S HA 0.234 4.704 4.470 -0.000 0.000 0.171 66 S C -1.641 172.969 174.600 0.016 0.000 1.620 66 S CA -1.696 56.521 58.200 0.028 0.000 1.190 66 S CB 0.706 63.865 63.200 -0.067 0.000 1.102 66 S HN 0.465 nan 8.310 nan 0.000 0.464 67 P HA -0.122 nan 4.420 nan 0.000 0.219 67 P C 0.803 178.065 177.300 -0.063 0.000 1.146 67 P CA 0.990 64.081 63.100 -0.015 0.000 0.808 67 P CB 0.147 31.826 31.700 -0.034 0.000 0.779 68 K N -0.445 119.931 120.400 -0.040 0.000 2.362 68 K HA -0.057 4.263 4.320 -0.000 0.000 0.200 68 K C 0.816 177.361 176.600 -0.091 0.000 1.046 68 K CA 0.815 57.067 56.287 -0.058 0.000 0.952 68 K CB -0.179 32.320 32.500 -0.001 0.000 0.753 68 K HN 0.176 nan 8.250 nan 0.000 0.466 69 D N 0.859 121.226 120.400 -0.056 0.000 2.402 69 D HA -0.001 4.639 4.640 -0.000 0.000 0.216 69 D C -0.154 176.135 176.300 -0.019 0.000 1.128 69 D CA 0.205 54.219 54.000 0.024 0.000 0.833 69 D CB 0.407 41.240 40.800 0.055 0.000 0.971 69 D HN 0.077 nan 8.370 nan 0.000 0.503 70 K N 0.832 121.115 120.400 -0.195 0.000 2.201 70 K HA 0.295 4.614 4.320 -0.000 0.000 0.278 70 K C -1.322 175.104 176.600 -0.290 0.000 1.027 70 K CA -0.256 56.006 56.287 -0.043 0.000 0.909 70 K CB 0.684 33.220 32.500 0.060 0.000 1.062 70 K HN -0.237 nan 8.250 nan 0.000 0.465 71 Y N 2.850 123.343 120.300 0.322 0.000 2.562 71 Y HA 0.469 5.019 4.550 -0.001 0.000 0.345 71 Y C -0.419 175.722 175.900 0.402 0.000 1.045 71 Y CA -0.939 57.347 58.100 0.311 0.000 1.028 71 Y CB 1.832 40.450 38.460 0.264 0.000 1.297 71 Y HN 0.336 nan 8.280 nan 0.000 0.463 72 I N 2.344 123.227 120.570 0.523 0.000 2.466 72 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 72 I C -0.855 175.519 176.117 0.429 0.000 1.026 72 I CA -1.138 60.409 61.300 0.412 0.000 1.078 72 I CB 1.797 39.908 38.000 0.186 0.000 1.249 72 I HN 0.253 nan 8.210 nan 0.000 0.429 73 V N 4.988 125.034 119.914 0.220 0.000 2.540 73 V HA -0.115 4.004 4.120 -0.000 0.000 0.297 73 V C 0.381 176.591 176.094 0.194 0.000 1.024 73 V CA -0.060 62.304 62.300 0.108 0.000 1.105 73 V CB 0.884 32.594 31.823 -0.188 0.000 0.938 73 V HN 0.838 nan 8.190 nan 0.000 0.482 74 C N 7.095 126.457 119.300 0.104 0.000 2.303 74 C HA 0.678 5.137 4.460 -0.000 0.000 0.341 74 C C 0.027 175.032 174.990 0.025 0.000 1.244 74 C CA -0.238 58.806 59.018 0.042 0.000 1.765 74 C CB -1.209 26.329 27.740 -0.336 0.000 2.379 74 C HN 1.124 nan 8.230 nan 0.000 0.530 75 D N 2.986 123.433 120.400 0.078 0.000 2.895 75 D HA 0.278 4.918 4.640 -0.000 0.000 0.320 75 D C 0.567 176.907 176.300 0.067 0.000 1.249 75 D CA -0.467 53.556 54.000 0.038 0.000 0.997 75 D CB 0.315 41.118 40.800 0.005 0.000 1.430 75 D HN 0.266 nan 8.370 nan 0.000 0.558 76 E N -0.489 119.741 120.200 0.050 0.000 2.204 76 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 76 E C 1.629 178.280 176.600 0.085 0.000 0.990 76 E CA 1.499 57.935 56.400 0.061 0.000 0.821 76 E CB -0.523 29.204 29.700 0.045 0.000 0.750 76 E HN 0.563 nan 8.360 nan 0.000 0.477 77 T N 0.393 114.998 114.554 0.085 0.000 2.851 77 T HA -0.080 4.269 4.350 -0.000 0.000 0.262 77 T C 2.021 176.807 174.700 0.143 0.000 1.043 77 T CA 1.891 64.056 62.100 0.109 0.000 1.140 77 T CB -0.152 68.771 68.868 0.091 0.000 0.872 77 T HN 0.393 nan 8.240 nan 0.000 0.446 78 T N -0.457 114.185 114.554 0.148 0.000 3.044 78 T HA 0.241 4.591 4.350 -0.000 0.000 0.250 78 T C 1.734 176.689 174.700 0.425 0.000 1.081 78 T CA 0.338 62.565 62.100 0.212 0.000 1.040 78 T CB 0.028 69.007 68.868 0.185 0.000 0.962 78 T HN 0.209 nan 8.240 nan 0.000 0.506 79 K N 1.784 122.399 120.400 0.358 0.000 2.034 79 K HA -0.164 4.156 4.320 -0.000 0.000 0.214 79 K C 1.138 177.993 176.600 0.425 0.000 1.051 79 K CA 2.150 58.658 56.287 0.369 0.000 0.931 79 K CB -0.162 32.430 32.500 0.154 0.000 0.715 79 K HN 0.288 nan 8.250 nan 0.000 0.446 80 D N -1.243 119.317 120.400 0.268 0.000 2.368 80 D HA 0.022 4.662 4.640 -0.000 0.000 0.218 80 D C 0.839 177.241 176.300 0.169 0.000 1.112 80 D CA 0.749 54.875 54.000 0.210 0.000 0.834 80 D CB 1.051 41.931 40.800 0.134 0.000 0.953 80 D HN 0.483 nan 8.370 nan 0.000 0.505 81 T N -3.242 111.419 114.554 0.179 0.000 2.987 81 T HA 0.143 4.493 4.350 -0.000 0.000 0.248 81 T C 0.966 175.720 174.700 0.089 0.000 0.997 81 T CA -0.048 62.130 62.100 0.130 0.000 1.013 81 T CB 0.334 69.317 68.868 0.191 0.000 1.077 81 T HN -0.206 nan 8.240 nan 0.000 0.483 82 V N 2.137 122.013 119.914 -0.064 0.000 2.649 82 V HA 0.292 4.412 4.120 -0.000 0.000 0.292 82 V C -0.257 175.571 176.094 -0.444 0.000 1.055 82 V CA -0.974 61.077 62.300 -0.414 0.000 1.023 82 V CB 0.834 31.966 31.823 -1.152 0.000 0.992 82 V HN 0.636 nan 8.190 nan 0.000 0.480 83 W N 6.239 127.294 121.300 -0.408 0.000 2.072 83 W HA 0.398 5.057 4.660 -0.000 0.000 0.413 83 W C -0.381 176.010 176.519 -0.213 0.000 0.865 83 W CA -2.007 55.222 57.345 -0.193 0.000 1.579 83 W CB -0.200 29.223 29.460 -0.062 0.000 1.720 83 W HN 0.569 nan 8.180 nan 0.000 0.301 84 W N 4.882 126.156 121.300 -0.043 0.000 2.181 84 W HA 0.018 4.678 4.660 -0.001 0.000 0.335 84 W C 1.148 177.449 176.519 -0.364 0.000 1.310 84 W CA -0.474 56.771 57.345 -0.166 0.000 1.226 84 W CB 0.238 29.668 29.460 -0.050 0.000 1.155 84 W HN 0.324 nan 8.180 nan 0.000 0.565 85 N N 2.053 120.708 118.700 -0.074 0.000 2.353 85 N HA 0.130 4.869 4.740 -0.000 0.000 0.248 85 N C -0.493 174.966 175.510 -0.084 0.000 1.240 85 N CA 0.732 53.657 53.050 -0.208 0.000 0.862 85 N CB 0.560 38.978 38.487 -0.116 0.000 1.086 85 N HN 0.438 nan 8.380 nan 0.000 0.453 86 S N 1.416 117.050 115.700 -0.109 0.000 2.656 86 S HA 0.341 4.811 4.470 -0.000 0.000 0.273 86 S C 0.325 174.907 174.600 -0.031 0.000 1.168 86 S CA -0.818 57.365 58.200 -0.028 0.000 0.817 86 S CB 1.144 64.360 63.200 0.027 0.000 1.146 86 S HN 0.502 nan 8.310 nan 0.000 0.475 87 E N 0.752 120.946 120.200 -0.009 0.000 2.110 87 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 87 E C 1.440 178.032 176.600 -0.013 0.000 0.988 87 E CA 1.337 57.728 56.400 -0.013 0.000 0.804 87 E CB -0.818 28.879 29.700 -0.005 0.000 0.745 87 E HN 0.779 nan 8.360 nan 0.000 0.458 91 K N 2.033 122.358 120.400 -0.125 0.000 2.350 91 K HA 0.384 4.704 4.320 -0.000 0.000 0.279 91 K C -0.002 176.443 176.600 -0.260 0.000 1.027 91 K CA 0.523 56.708 56.287 -0.170 0.000 0.969 91 K CB 0.291 32.726 32.500 -0.108 0.000 0.954 91 K HN 0.952 nan 8.250 nan 0.000 0.474 92 N N 1.136 119.632 118.700 -0.340 0.000 3.039 92 N HA 0.158 4.898 4.740 -0.000 0.000 0.257 92 N C -1.025 174.323 175.510 -0.271 0.000 1.497 92 N CA -0.740 52.078 53.050 -0.385 0.000 0.861 92 N CB 0.659 38.681 38.487 -0.775 0.000 1.479 92 N HN 0.328 nan 8.380 nan 0.000 0.547 93 D N -0.984 119.276 120.400 -0.234 0.000 2.342 93 D HA 0.086 4.725 4.640 -0.000 0.000 0.221 93 D C -0.507 175.709 176.300 -0.141 0.000 1.101 93 D CA 0.156 54.053 54.000 -0.171 0.000 0.837 93 D CB -0.330 40.384 40.800 -0.144 0.000 0.938 93 D HN 0.362 nan 8.370 nan 0.000 0.508 94 N N 1.936 120.542 118.700 -0.158 0.000 2.739 94 N HA 0.056 4.796 4.740 -0.000 0.000 0.266 94 N C -0.136 175.477 175.510 0.172 0.000 1.168 94 N CA 0.238 53.251 53.050 -0.062 0.000 1.055 94 N CB 0.404 38.758 38.487 -0.221 0.000 1.393 94 N HN 0.099 nan 8.380 nan 0.000 0.514 95 K N 2.336 122.835 120.400 0.164 0.000 2.227 95 K HA 0.308 4.628 4.320 -0.000 0.000 0.280 95 K C -2.194 174.685 176.600 0.465 0.000 1.041 95 K CA -1.592 54.845 56.287 0.250 0.000 0.905 95 K CB 1.352 33.897 32.500 0.075 0.000 1.068 95 K HN 0.237 nan 8.250 nan 0.000 0.470 96 P HA 0.034 nan 4.420 nan 0.000 0.271 96 P C -0.955 176.433 177.300 0.146 0.000 1.218 96 P CA -0.193 62.929 63.100 0.037 0.000 0.780 96 P CB 0.869 32.213 31.700 -0.592 0.000 0.901 97 M N 2.175 121.849 119.600 0.123 0.000 2.395 97 M HA 0.327 4.806 4.480 -0.000 0.000 0.307 97 M C -0.086 176.233 176.300 0.032 0.000 1.091 97 M CA -0.439 54.903 55.300 0.070 0.000 0.919 97 M CB 2.281 34.968 32.600 0.145 0.000 1.662 97 M HN 0.373 nan 8.290 nan 0.000 0.440 98 T N 0.529 115.085 114.554 0.003 0.000 2.860 98 T HA 0.143 4.493 4.350 -0.000 0.000 0.299 98 T C 0.574 175.314 174.700 0.067 0.000 1.045 98 T CA -0.245 61.858 62.100 0.006 0.000 1.071 98 T CB 1.172 70.032 68.868 -0.013 0.000 0.985 98 T HN 0.853 nan 8.240 nan 0.000 0.537 99 Q N -0.050 119.785 119.800 0.059 0.000 2.224 99 Q HA -0.057 4.283 4.340 -0.000 0.000 0.203 99 Q C 2.186 178.269 176.000 0.138 0.000 0.970 99 Q CA 1.664 57.535 55.803 0.113 0.000 0.865 99 Q CB -0.189 28.588 28.738 0.065 0.000 0.922 99 Q HN 0.914 nan 8.270 nan 0.000 0.445 100 E N -1.349 118.890 120.200 0.064 0.000 2.047 100 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 100 E C 1.427 178.033 176.600 0.010 0.000 0.987 100 E CA 1.558 57.976 56.400 0.031 0.000 0.799 100 E CB 0.082 29.782 29.700 0.000 0.000 0.752 100 E HN 0.348 nan 8.360 nan 0.000 0.449 101 T N 1.091 115.647 114.554 0.004 0.000 2.821 101 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 101 T C 1.213 175.881 174.700 -0.053 0.000 1.046 101 T CA 1.109 63.178 62.100 -0.052 0.000 1.139 101 T CB -0.419 68.402 68.868 -0.078 0.000 0.871 101 T HN 0.447 nan 8.240 nan 0.000 0.454 102 W N 2.647 123.888 121.300 -0.098 0.000 2.335 102 W HA -0.161 4.499 4.660 -0.001 0.000 0.311 102 W C 2.123 178.595 176.519 -0.079 0.000 1.213 102 W CA 1.475 58.772 57.345 -0.080 0.000 1.274 102 W CB -0.398 29.046 29.460 -0.028 0.000 1.148 102 W HN 0.202 nan 8.180 nan 0.000 0.498 103 K N 0.507 120.855 120.400 -0.087 0.000 2.032 103 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 103 K C 2.275 178.724 176.600 -0.252 0.000 1.048 103 K CA 2.299 58.488 56.287 -0.163 0.000 0.927 103 K CB -0.360 32.141 32.500 0.001 0.000 0.712 103 K HN -0.015 nan 8.250 nan 0.000 0.441 104 S N 1.276 116.853 115.700 -0.204 0.000 2.359 104 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 104 S C 1.883 176.302 174.600 -0.302 0.000 1.035 104 S CA 1.349 59.426 58.200 -0.205 0.000 1.018 104 S CB -0.271 62.830 63.200 -0.165 0.000 0.876 104 S HN 0.264 nan 8.310 nan 0.000 0.448 105 L N 0.880 121.840 121.223 -0.437 0.000 2.083 105 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 105 L C 2.830 179.390 176.870 -0.517 0.000 1.083 105 L CA 1.150 55.636 54.840 -0.590 0.000 0.752 105 L CB -0.460 41.124 42.059 -0.793 0.000 0.899 105 L HN 0.239 nan 8.230 nan 0.000 0.433 106 R N 0.542 120.641 120.500 -0.669 0.000 2.081 106 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 106 R C 2.097 178.225 176.300 -0.286 0.000 1.131 106 R CA 1.599 57.364 56.100 -0.558 0.000 0.960 106 R CB -0.065 29.841 30.300 -0.656 0.000 0.856 106 R HN 0.485 nan 8.270 nan 0.000 0.436 107 E N 0.673 120.728 120.200 -0.241 0.000 2.072 107 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 107 E C 2.123 178.654 176.600 -0.116 0.000 0.985 107 E CA 0.875 57.188 56.400 -0.145 0.000 0.801 107 E CB -0.182 29.446 29.700 -0.121 0.000 0.750 107 E HN 0.307 nan 8.360 nan 0.000 0.452 108 L N 1.043 122.185 121.223 -0.134 0.000 1.989 108 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 108 L C 2.373 179.223 176.870 -0.033 0.000 1.071 108 L CA 1.279 56.074 54.840 -0.074 0.000 0.749 108 L CB -0.159 41.847 42.059 -0.087 0.000 0.890 108 L HN 0.054 nan 8.230 nan 0.000 0.431 109 V N 0.139 120.029 119.914 -0.039 0.000 2.358 109 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 109 V C 2.814 178.877 176.094 -0.053 0.000 1.047 109 V CA 1.549 63.836 62.300 -0.021 0.000 1.035 109 V CB -0.904 30.907 31.823 -0.020 0.000 0.658 109 V HN 0.586 nan 8.190 nan 0.000 0.452 110 A N 0.326 123.103 122.820 -0.072 0.000 1.933 110 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 110 A C 2.459 180.014 177.584 -0.048 0.000 1.175 110 A CA 2.551 54.552 52.037 -0.061 0.000 0.628 110 A CB -0.648 18.313 19.000 -0.066 0.000 0.814 110 A HN 0.540 nan 8.150 nan 0.000 0.444 111 K N -0.642 119.731 120.400 -0.045 0.000 2.057 111 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 111 K C 2.017 178.601 176.600 -0.027 0.000 1.050 111 K CA 1.955 58.222 56.287 -0.033 0.000 0.935 111 K CB -0.786 31.696 32.500 -0.029 0.000 0.715 111 K HN 0.558 nan 8.250 nan 0.000 0.439 112 Q N 0.026 119.810 119.800 -0.025 0.000 2.226 112 Q HA 0.044 4.384 4.340 -0.000 0.000 0.204 112 Q C 1.475 177.452 176.000 -0.037 0.000 0.975 112 Q CA 1.396 57.184 55.803 -0.025 0.000 0.866 112 Q CB -0.245 28.478 28.738 -0.026 0.000 0.915 112 Q HN 0.621 nan 8.270 nan 0.000 0.440 113 L N -0.073 121.123 121.223 -0.045 0.000 2.700 113 L HA 0.318 4.658 4.340 -0.000 0.000 0.234 113 L C 0.060 176.903 176.870 -0.044 0.000 1.156 113 L CA -0.408 54.402 54.840 -0.050 0.000 0.946 113 L CB 0.456 42.480 42.059 -0.059 0.000 1.216 113 L HN -0.086 nan 8.230 nan 0.000 0.493 114 S N -0.119 115.559 115.700 -0.037 0.000 2.616 114 S HA 0.508 4.978 4.470 -0.000 0.000 0.277 114 S C 1.092 175.673 174.600 -0.031 0.000 1.234 114 S CA 0.130 58.310 58.200 -0.034 0.000 1.028 114 S CB 1.515 64.697 63.200 -0.030 0.000 0.988 114 S HN 0.488 nan 8.310 nan 0.000 0.522 115 G N 1.813 110.594 108.800 -0.032 0.000 2.203 115 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.263 115 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.263 115 G C -0.185 174.696 174.900 -0.032 0.000 1.012 115 G CA 0.565 45.648 45.100 -0.029 0.000 0.749 115 G HN 0.564 nan 8.290 nan 0.000 0.512 116 K N -1.278 119.096 120.400 -0.043 0.000 2.378 116 K HA 0.609 4.929 4.320 -0.000 0.000 0.244 116 K C 0.184 176.736 176.600 -0.081 0.000 1.039 116 K CA -1.166 55.091 56.287 -0.050 0.000 0.863 116 K CB 1.748 34.224 32.500 -0.041 0.000 1.326 116 K HN 0.145 nan 8.250 nan 0.000 0.460 117 R N 1.649 122.088 120.500 -0.102 0.000 2.308 117 R HA 0.369 4.708 4.340 -0.000 0.000 0.305 117 R C -1.022 175.128 176.300 -0.251 0.000 1.053 117 R CA -0.188 55.803 56.100 -0.182 0.000 0.957 117 R CB 0.303 30.491 30.300 -0.187 0.000 1.022 117 R HN 0.467 nan 8.270 nan 0.000 0.461 118 L N 4.135 125.167 121.223 -0.319 0.000 2.323 118 L HA 0.577 4.917 4.340 -0.000 0.000 0.265 118 L C -1.029 175.541 176.870 -0.499 0.000 1.012 118 L CA -1.033 53.630 54.840 -0.295 0.000 0.820 118 L CB 1.760 43.737 42.059 -0.137 0.000 1.334 118 L HN 0.540 nan 8.230 nan 0.000 0.427 119 F N 0.656 120.564 119.950 -0.071 0.000 2.482 119 F HA 0.636 5.163 4.527 -0.000 0.000 0.331 119 F C -0.206 175.545 175.800 -0.081 0.000 1.115 119 F CA -0.844 57.115 58.000 -0.069 0.000 0.955 119 F CB 1.971 40.932 39.000 -0.066 0.000 1.136 119 F HN -0.099 nan 8.300 nan 0.000 0.452 120 V N 3.976 123.928 119.914 0.063 0.000 2.577 120 V HA 0.603 4.723 4.120 -0.000 0.000 0.303 120 V C -0.865 175.204 176.094 -0.042 0.000 1.042 120 V CA -0.782 61.513 62.300 -0.010 0.000 0.872 120 V CB 2.102 33.894 31.823 -0.051 0.000 0.998 120 V HN 0.523 nan 8.190 nan 0.000 0.423 121 V N 4.291 124.161 119.914 -0.074 0.000 2.588 121 V HA 0.526 4.646 4.120 -0.000 0.000 0.304 121 V C -0.437 175.526 176.094 -0.218 0.000 1.042 121 V CA -0.640 61.585 62.300 -0.125 0.000 0.877 121 V CB 2.112 33.892 31.823 -0.072 0.000 0.996 121 V HN 0.940 nan 8.190 nan 0.000 0.425 122 E N 2.506 122.484 120.200 -0.370 0.000 2.187 122 E HA 0.750 5.100 4.350 -0.000 0.000 0.268 122 E C -0.001 176.266 176.600 -0.555 0.000 0.896 122 E CA -0.424 55.577 56.400 -0.666 0.000 0.766 122 E CB 2.496 31.339 29.700 -1.427 0.000 1.142 122 E HN 0.882 nan 8.360 nan 0.000 0.408 123 G N 1.566 110.165 108.800 -0.334 0.000 2.687 123 G HA2 0.456 4.416 3.960 -0.000 0.000 0.291 123 G HA3 0.456 4.416 3.960 -0.000 0.000 0.291 123 G C -1.892 172.969 174.900 -0.066 0.000 1.420 123 G CA -0.520 44.485 45.100 -0.158 0.000 0.796 123 G HN 0.286 nan 8.290 nan 0.000 0.485 124 Y N -1.009 119.479 120.300 0.313 0.000 2.409 124 Y HA 0.560 5.110 4.550 -0.000 0.000 0.339 124 Y C 0.204 176.327 175.900 0.372 0.000 1.033 124 Y CA -1.113 57.165 58.100 0.296 0.000 1.094 124 Y CB 2.258 40.853 38.460 0.225 0.000 1.210 124 Y HN 0.548 nan 8.280 nan 0.000 0.456 125 C N 3.241 122.852 119.300 0.518 0.000 2.225 125 C HA 0.813 5.273 4.460 -0.000 0.000 0.323 125 C C 0.185 175.336 174.990 0.268 0.000 1.164 125 C CA 0.223 59.504 59.018 0.438 0.000 1.565 125 C CB -1.604 26.364 27.740 0.380 0.000 2.124 125 C HN 1.063 nan 8.230 nan 0.000 0.461 126 G N 4.459 113.470 108.800 0.352 0.000 3.326 126 G HA2 0.340 4.299 3.960 -0.000 0.000 0.681 126 G HA3 0.340 4.299 3.960 -0.000 0.000 0.681 126 G C 0.100 175.179 174.900 0.297 0.000 1.255 126 G CA -0.149 45.226 45.100 0.458 0.000 0.976 126 G HN 1.542 nan 8.290 nan 0.000 0.563 127 A N 1.432 124.476 122.820 0.374 0.000 2.208 127 A HA 0.605 4.925 4.320 -0.000 0.000 0.209 127 A C 1.687 179.229 177.584 -0.069 0.000 1.161 127 A CA 1.582 53.720 52.037 0.169 0.000 0.782 127 A CB 0.050 19.199 19.000 0.248 0.000 0.816 127 A HN 2.188 nan 8.150 nan 0.000 0.477 128 S N -0.032 115.432 115.700 -0.393 0.000 2.465 128 S HA 0.208 4.677 4.470 -0.000 0.000 0.279 128 S C 0.698 175.072 174.600 -0.376 0.000 1.201 128 S CA -0.371 57.481 58.200 -0.579 0.000 1.053 128 S CB 0.554 62.964 63.200 -1.316 0.000 0.953 128 S HN 0.485 nan 8.310 nan 0.000 0.488 129 E N 3.375 123.407 120.200 -0.280 0.000 2.153 129 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 129 E C 1.520 177.947 176.600 -0.288 0.000 0.988 129 E CA 0.883 57.120 56.400 -0.272 0.000 0.811 129 E CB 0.078 29.658 29.700 -0.200 0.000 0.746 129 E HN 0.573 nan 8.360 nan 0.000 0.466 130 K N 0.138 120.341 120.400 -0.328 0.000 2.155 130 K HA -0.031 4.288 4.320 -0.000 0.000 0.203 130 K C 0.638 176.848 176.600 -0.650 0.000 1.052 130 K CA 0.917 56.916 56.287 -0.480 0.000 0.948 130 K CB 0.134 32.297 32.500 -0.562 0.000 0.728 130 K HN 0.268 nan 8.250 nan 0.000 0.448 131 H N 1.026 120.000 119.070 -0.160 0.000 2.336 131 H HA 0.218 4.774 4.556 -0.000 0.000 0.230 131 H C -0.187 175.113 175.328 -0.047 0.000 1.426 131 H CA -0.309 55.707 56.048 -0.054 0.000 1.359 131 H CB 0.341 30.155 29.762 0.086 0.000 1.555 131 H HN 0.145 nan 8.280 nan 0.000 0.512 132 R N 0.285 120.778 120.500 -0.013 0.000 2.867 132 R HA 0.725 5.064 4.340 -0.000 0.000 0.268 132 R C -1.148 175.178 176.300 0.043 0.000 1.014 132 R CA -0.909 55.204 56.100 0.021 0.000 0.946 132 R CB 1.941 32.196 30.300 -0.075 0.000 1.208 132 R HN 0.020 nan 8.270 nan 0.000 0.477 133 I N 1.113 121.756 120.570 0.121 0.000 2.418 133 I HA 0.319 4.489 4.170 -0.000 0.000 0.287 133 I C 0.188 176.453 176.117 0.247 0.000 1.008 133 I CA -0.953 60.421 61.300 0.124 0.000 1.104 133 I CB 2.167 40.228 38.000 0.103 0.000 1.264 133 I HN 0.897 nan 8.210 nan 0.000 0.438 134 G N 6.185 115.092 108.800 0.179 0.000 2.358 134 G HA2 0.450 4.410 3.960 -0.000 0.000 0.273 134 G HA3 0.450 4.410 3.960 -0.000 0.000 0.273 134 G C -0.239 174.747 174.900 0.143 0.000 1.215 134 G CA -0.227 44.916 45.100 0.071 0.000 0.910 134 G HN 0.484 nan 8.290 nan 0.000 0.467 135 V N 0.980 121.032 119.914 0.230 0.000 2.513 135 V HA 0.800 4.919 4.120 -0.000 0.000 0.299 135 V C -0.154 176.018 176.094 0.129 0.000 1.035 135 V CA -1.504 60.866 62.300 0.117 0.000 0.889 135 V CB 1.690 33.396 31.823 -0.195 0.000 0.988 135 V HN 0.789 nan 8.190 nan 0.000 0.440 136 R N 5.267 125.831 120.500 0.107 0.000 2.439 136 R HA 0.657 4.997 4.340 -0.000 0.000 0.310 136 R C -1.064 175.225 176.300 -0.018 0.000 0.955 136 R CA -0.708 55.409 56.100 0.029 0.000 0.853 136 R CB 1.741 32.102 30.300 0.100 0.000 1.171 136 R HN 0.903 nan 8.270 nan 0.000 0.449 137 M N 5.593 125.151 119.600 -0.071 0.000 2.364 137 M HA 0.360 4.839 4.480 -0.000 0.000 0.334 137 M C -1.666 174.606 176.300 -0.047 0.000 1.107 137 M CA -0.759 54.504 55.300 -0.061 0.000 0.988 137 M CB 1.867 34.415 32.600 -0.087 0.000 1.673 137 M HN 0.429 nan 8.290 nan 0.000 0.441 138 V N 3.723 123.611 119.914 -0.044 0.000 2.448 138 V HA 0.722 4.842 4.120 -0.000 0.000 0.295 138 V C -0.093 175.967 176.094 -0.057 0.000 1.025 138 V CA -0.471 61.807 62.300 -0.037 0.000 0.859 138 V CB 1.631 33.432 31.823 -0.037 0.000 0.988 138 V HN 0.974 nan 8.190 nan 0.000 0.431 139 T N 1.994 116.536 114.554 -0.022 0.000 2.843 139 T HA 0.403 4.753 4.350 -0.000 0.000 0.302 139 T C 0.207 174.950 174.700 0.071 0.000 1.232 139 T CA -0.134 61.930 62.100 -0.060 0.000 1.009 139 T CB 2.188 70.965 68.868 -0.151 0.000 1.254 139 T HN 0.914 nan 8.240 nan 0.000 0.504 140 E N 1.053 121.252 120.200 -0.002 0.000 2.498 140 E HA 0.363 4.713 4.350 -0.000 0.000 0.203 140 E C -0.382 176.316 176.600 0.163 0.000 1.013 140 E CA -0.237 56.234 56.400 0.117 0.000 0.927 140 E CB 0.590 30.290 29.700 -0.001 0.000 1.012 140 E HN 0.227 nan 8.360 nan 0.000 0.482 141 V N 1.785 121.636 119.914 -0.105 0.000 2.378 141 V HA 0.366 4.486 4.120 -0.000 0.000 0.288 141 V C 1.105 176.808 176.094 -0.653 0.000 1.016 141 V CA -0.147 61.959 62.300 -0.323 0.000 0.840 141 V CB 1.167 32.653 31.823 -0.562 0.000 0.994 141 V HN 0.309 nan 8.190 nan 0.000 0.431 142 A N 6.175 128.448 122.820 -0.911 0.000 1.917 142 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 142 A C 1.808 179.189 177.584 -0.338 0.000 1.182 142 A CA 2.244 53.602 52.037 -1.131 0.000 0.633 142 A CB -0.476 18.064 19.000 -0.766 0.000 0.819 142 A HN 1.062 nan 8.150 nan 0.000 0.448 143 W N -0.303 120.919 121.300 -0.130 0.000 2.465 143 W HA -0.116 4.544 4.660 -0.000 0.000 0.268 143 W C 1.401 177.957 176.519 0.061 0.000 1.242 143 W CA 0.878 58.254 57.345 0.052 0.000 1.248 143 W CB -0.664 28.861 29.460 0.109 0.000 1.118 143 W HN 0.444 nan 8.180 nan 0.000 0.587 144 Q N 1.116 120.757 119.800 -0.264 0.000 2.172 144 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 144 Q C 2.762 178.757 176.000 -0.008 0.000 0.964 144 Q CA 1.735 57.379 55.803 -0.265 0.000 0.855 144 Q CB -0.324 28.044 28.738 -0.617 0.000 0.918 144 Q HN 0.341 nan 8.270 nan 0.000 0.444 145 A N 0.474 123.247 122.820 -0.078 0.000 1.898 145 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 145 A C 1.759 179.419 177.584 0.127 0.000 1.181 145 A CA 1.598 53.632 52.037 -0.006 0.000 0.620 145 A CB -0.838 18.113 19.000 -0.082 0.000 0.819 145 A HN 0.504 nan 8.150 nan 0.000 0.442 146 H N -2.402 116.706 119.070 0.064 0.000 2.353 146 H HA -0.184 4.372 4.556 -0.000 0.000 0.300 146 H C 1.921 177.357 175.328 0.181 0.000 1.090 146 H CA 1.594 57.717 56.048 0.125 0.000 1.327 146 H CB -0.193 29.694 29.762 0.208 0.000 1.383 146 H HN 0.500 nan 8.280 nan 0.000 0.508 147 F N 0.863 120.906 119.950 0.156 0.000 2.095 147 F HA -0.221 4.305 4.527 -0.001 0.000 0.298 147 F C 2.226 178.065 175.800 0.065 0.000 1.104 147 F CA 1.498 59.517 58.000 0.032 0.000 1.232 147 F CB -0.568 38.462 39.000 0.051 0.000 0.987 147 F HN -0.007 nan 8.300 nan 0.000 0.475 148 V N 0.594 120.716 119.914 0.347 0.000 2.427 148 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 148 V C 2.452 178.674 176.094 0.214 0.000 1.051 148 V CA 2.129 64.630 62.300 0.335 0.000 1.048 148 V CB -0.701 31.251 31.823 0.214 0.000 0.666 148 V HN 0.321 nan 8.190 nan 0.000 0.456 149 K N 0.037 120.511 120.400 0.123 0.000 2.147 149 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 149 K C 1.965 178.629 176.600 0.106 0.000 1.049 149 K CA 1.508 57.827 56.287 0.053 0.000 0.936 149 K CB -0.051 32.380 32.500 -0.114 0.000 0.722 149 K HN 0.428 nan 8.250 nan 0.000 0.446 150 N N 0.228 118.982 118.700 0.089 0.000 2.135 150 N HA -0.073 4.666 4.740 -0.000 0.000 0.186 150 N C 1.536 176.923 175.510 -0.204 0.000 1.027 150 N CA 1.159 54.194 53.050 -0.026 0.000 0.849 150 N CB -0.054 38.320 38.487 -0.188 0.000 1.002 150 N HN 0.168 nan 8.380 nan 0.000 0.425 151 M N -0.484 118.903 119.600 -0.355 0.000 2.506 151 M HA 0.150 4.630 4.480 -0.000 0.000 0.260 151 M C -0.169 175.788 176.300 -0.572 0.000 1.104 151 M CA 0.383 55.357 55.300 -0.543 0.000 1.112 151 M CB -0.618 31.460 32.600 -0.870 0.000 1.401 151 M HN -0.108 nan 8.290 nan 0.000 0.473 152 F N -0.549 119.364 119.950 -0.061 0.000 2.541 152 F HA 0.497 5.024 4.527 -0.001 0.000 0.331 152 F C 0.568 176.406 175.800 0.064 0.000 1.057 152 F CA -1.289 56.728 58.000 0.028 0.000 0.975 152 F CB 0.834 39.864 39.000 0.050 0.000 1.246 152 F HN -0.255 nan 8.300 nan 0.000 0.484 153 I N 2.251 123.008 120.570 0.311 0.000 2.533 153 I HA 0.123 4.293 4.170 -0.000 0.000 0.284 153 I C 0.071 176.338 176.117 0.250 0.000 1.109 153 I CA -0.037 61.426 61.300 0.271 0.000 1.412 153 I CB 0.335 38.531 38.000 0.327 0.000 1.396 153 I HN 0.370 nan 8.210 nan 0.000 0.543 154 R N 7.303 127.923 120.500 0.199 0.000 2.288 154 R HA 0.266 4.605 4.340 -0.000 0.000 0.330 154 R C -2.243 174.153 176.300 0.160 0.000 1.069 154 R CA -1.539 54.645 56.100 0.141 0.000 0.941 154 R CB -0.111 30.281 30.300 0.153 0.000 0.998 154 R HN 0.339 nan 8.270 nan 0.000 0.452 155 P HA -0.030 nan 4.420 nan 0.000 0.269 155 P C -0.037 177.344 177.300 0.136 0.000 1.215 155 P CA -0.219 62.995 63.100 0.190 0.000 0.780 155 P CB 0.612 32.373 31.700 0.100 0.000 0.898 156 T N -1.988 112.661 114.554 0.160 0.000 2.788 156 T HA 0.088 4.438 4.350 -0.000 0.000 0.287 156 T C 0.910 175.662 174.700 0.088 0.000 1.007 156 T CA -0.454 61.710 62.100 0.108 0.000 1.005 156 T CB 0.428 69.356 68.868 0.101 0.000 1.012 156 T HN 0.316 nan 8.240 nan 0.000 0.530 157 D N 1.101 121.538 120.400 0.062 0.000 2.123 157 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 157 D C 2.486 178.822 176.300 0.060 0.000 0.992 157 D CA 1.842 55.871 54.000 0.047 0.000 0.833 157 D CB -0.469 40.352 40.800 0.036 0.000 0.954 157 D HN 0.903 nan 8.370 nan 0.000 0.455 158 E N 1.935 122.175 120.200 0.067 0.000 2.058 158 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 158 E C 1.878 178.539 176.600 0.101 0.000 0.997 158 E CA 1.458 57.900 56.400 0.071 0.000 0.801 158 E CB -0.995 28.742 29.700 0.062 0.000 0.746 158 E HN 0.491 nan 8.360 nan 0.000 0.450 159 E N -0.035 120.249 120.200 0.140 0.000 2.110 159 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 159 E C 2.294 179.040 176.600 0.244 0.000 0.988 159 E CA 1.068 57.601 56.400 0.223 0.000 0.804 159 E CB -0.223 29.677 29.700 0.334 0.000 0.745 159 E HN 0.487 nan 8.360 nan 0.000 0.458 160 L N 0.618 121.935 121.223 0.157 0.000 2.362 160 L HA -0.170 4.170 4.340 -0.000 0.000 0.219 160 L C 2.774 179.710 176.870 0.110 0.000 1.134 160 L CA 1.329 56.229 54.840 0.100 0.000 0.807 160 L CB -0.496 41.562 42.059 -0.001 0.000 0.927 160 L HN 0.143 nan 8.230 nan 0.000 0.447 161 K N 0.043 120.505 120.400 0.102 0.000 2.155 161 K HA -0.031 4.288 4.320 -0.000 0.000 0.203 161 K C 1.526 178.185 176.600 0.097 0.000 1.052 161 K CA 1.529 57.864 56.287 0.080 0.000 0.948 161 K CB -1.470 31.066 32.500 0.060 0.000 0.728 161 K HN 0.595 nan 8.250 nan 0.000 0.448 162 N N -0.247 118.528 118.700 0.125 0.000 2.235 162 N HA 0.346 5.086 4.740 -0.000 0.000 0.231 162 N C 0.141 175.736 175.510 0.141 0.000 1.177 162 N CA -0.421 52.694 53.050 0.107 0.000 0.874 162 N CB -0.211 38.320 38.487 0.072 0.000 1.097 162 N HN 0.441 nan 8.380 nan 0.000 0.518 163 F N 2.516 122.496 119.950 0.050 0.000 2.602 163 F HA 0.366 4.892 4.527 -0.001 0.000 0.385 163 F C 0.663 176.482 175.800 0.032 0.000 1.063 163 F CA 0.161 58.191 58.000 0.050 0.000 1.233 163 F CB 0.208 39.195 39.000 -0.023 0.000 1.067 163 F HN 0.332 nan 8.300 nan 0.000 0.564 164 K N 5.369 125.416 120.400 -0.587 0.000 2.274 164 K HA 0.809 5.129 4.320 -0.000 0.000 0.262 164 K C -0.670 175.516 176.600 -0.690 0.000 0.961 164 K CA -0.380 55.670 56.287 -0.395 0.000 0.833 164 K CB 1.105 33.474 32.500 -0.218 0.000 1.102 164 K HN 1.079 nan 8.250 nan 0.000 0.436 165 A N 2.494 125.160 122.820 -0.256 0.000 2.415 165 A HA 0.352 4.672 4.320 -0.000 0.000 0.309 165 A C 0.297 177.845 177.584 -0.060 0.000 1.356 165 A CA -0.374 51.623 52.037 -0.066 0.000 0.998 165 A CB -0.141 18.973 19.000 0.191 0.000 1.145 165 A HN 0.807 nan 8.150 nan 0.000 0.545 166 D N 1.208 121.572 120.400 -0.059 0.000 2.234 166 D HA 0.028 4.667 4.640 -0.000 0.000 0.205 166 D C -0.479 175.857 176.300 0.059 0.000 0.962 166 D CA 1.529 55.519 54.000 -0.016 0.000 0.855 166 D CB 0.191 40.985 40.800 -0.010 0.000 0.951 166 D HN 0.526 nan 8.370 nan 0.000 0.500 167 F N 0.002 119.960 119.950 0.013 0.000 2.569 167 F HA 0.250 4.777 4.527 -0.000 0.000 0.312 167 F C -0.449 175.386 175.800 0.059 0.000 1.109 167 F CA -0.548 57.490 58.000 0.064 0.000 0.919 167 F CB 2.409 41.470 39.000 0.102 0.000 1.211 167 F HN -0.466 nan 8.300 nan 0.000 0.446 168 T N 3.862 118.490 114.554 0.122 0.000 2.792 168 T HA 0.536 4.886 4.350 -0.000 0.000 0.280 168 T C -1.067 173.728 174.700 0.159 0.000 0.990 168 T CA -0.567 61.601 62.100 0.114 0.000 0.960 168 T CB 1.540 70.435 68.868 0.045 0.000 0.939 168 T HN 0.227 nan 8.240 nan 0.000 0.439 169 V N 5.229 125.209 119.914 0.109 0.000 2.347 169 V HA 0.396 4.516 4.120 -0.000 0.000 0.280 169 V C -0.193 175.904 176.094 0.004 0.000 1.021 169 V CA -0.725 61.621 62.300 0.076 0.000 0.847 169 V CB 0.955 32.797 31.823 0.031 0.000 0.990 169 V HN 0.728 nan 8.190 nan 0.000 0.444 170 L N 4.958 126.177 121.223 -0.006 0.000 2.264 170 L HA 0.457 4.796 4.340 -0.000 0.000 0.287 170 L C 0.374 177.180 176.870 -0.106 0.000 1.039 170 L CA -0.242 54.568 54.840 -0.050 0.000 0.829 170 L CB 0.824 42.861 42.059 -0.038 0.000 1.211 170 L HN 0.536 nan 8.230 nan 0.000 0.427 171 N N 2.908 121.519 118.700 -0.150 0.000 2.439 171 N HA 0.166 4.905 4.740 -0.000 0.000 0.243 171 N C 0.292 175.638 175.510 -0.274 0.000 1.088 171 N CA -0.043 52.864 53.050 -0.239 0.000 0.940 171 N CB 1.595 39.912 38.487 -0.284 0.000 1.180 171 N HN 0.724 nan 8.380 nan 0.000 0.505 172 G N 2.056 110.686 108.800 -0.283 0.000 4.637 172 G HA2 0.353 4.313 3.960 -0.000 0.000 0.308 172 G HA3 0.353 4.313 3.960 -0.000 0.000 0.308 172 G C 1.099 175.786 174.900 -0.355 0.000 1.377 172 G CA -0.047 44.897 45.100 -0.261 0.000 1.176 172 G HN 0.611 nan 8.290 nan 0.000 0.601 173 A N 1.131 123.642 122.820 -0.515 0.000 1.978 173 A HA -0.071 4.248 4.320 -0.000 0.000 0.220 173 A C 2.212 179.556 177.584 -0.401 0.000 1.170 173 A CA 1.328 52.982 52.037 -0.637 0.000 0.636 173 A CB -0.127 18.130 19.000 -1.240 0.000 0.810 173 A HN 0.429 nan 8.150 nan 0.000 0.448 174 K N -0.736 119.472 120.400 -0.321 0.000 2.365 174 K HA -0.020 4.300 4.320 -0.000 0.000 0.199 174 K C 0.874 177.497 176.600 0.038 0.000 1.045 174 K CA 0.641 56.918 56.287 -0.016 0.000 0.962 174 K CB -0.550 31.950 32.500 0.001 0.000 0.759 174 K HN 0.789 nan 8.250 nan 0.000 0.469 175 C N 0.483 119.771 119.300 -0.021 0.000 2.358 175 C HA 0.669 5.128 4.460 -0.000 0.000 0.354 175 C C 0.346 175.384 174.990 0.081 0.000 1.183 175 C CA -0.799 58.247 59.018 0.046 0.000 2.150 175 C CB 1.197 28.969 27.740 0.053 0.000 2.361 175 C HN 0.295 nan 8.230 nan 0.000 0.535 176 T N 0.140 114.785 114.554 0.151 0.000 2.906 176 T HA 0.456 4.806 4.350 -0.000 0.000 0.295 176 T C -0.898 173.960 174.700 0.263 0.000 1.061 176 T CA -0.388 61.839 62.100 0.212 0.000 1.000 176 T CB 1.324 70.292 68.868 0.166 0.000 1.103 176 T HN 0.913 nan 8.240 nan 0.000 0.486 177 N N 2.772 121.667 118.700 0.325 0.000 2.420 177 N HA 0.326 5.066 4.740 -0.000 0.000 0.249 177 N C -1.293 174.393 175.510 0.293 0.000 1.033 177 N CA -2.447 50.730 53.050 0.211 0.000 0.944 177 N CB 1.157 39.687 38.487 0.072 0.000 1.113 177 N HN 0.356 nan 8.380 nan 0.000 0.502 178 P HA -0.023 nan 4.420 nan 0.000 0.222 178 P C -0.248 177.119 177.300 0.110 0.000 1.153 178 P CA 0.853 64.064 63.100 0.185 0.000 0.798 178 P CB 0.431 32.188 31.700 0.095 0.000 0.796 179 N N 0.153 118.894 118.700 0.069 0.000 2.276 179 N HA -0.004 4.736 4.740 -0.000 0.000 0.212 179 N C 1.554 177.059 175.510 -0.008 0.000 1.127 179 N CA -0.075 52.961 53.050 -0.023 0.000 0.834 179 N CB -0.526 37.935 38.487 -0.042 0.000 1.014 179 N HN 0.478 nan 8.380 nan 0.000 0.491 180 W N 1.617 122.898 121.300 -0.031 0.000 2.374 180 W HA -0.061 4.599 4.660 -0.001 0.000 0.288 180 W C 0.952 177.464 176.519 -0.013 0.000 1.218 180 W CA 0.358 57.688 57.345 -0.026 0.000 1.245 180 W CB -0.625 28.851 29.460 0.028 0.000 1.126 180 W HN -0.020 nan 8.180 nan 0.000 0.545 181 K N 0.936 120.923 120.400 -0.689 0.000 2.025 181 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 181 K C 2.133 178.578 176.600 -0.258 0.000 1.049 181 K CA 1.906 57.815 56.287 -0.631 0.000 0.933 181 K CB -0.539 31.469 32.500 -0.820 0.000 0.714 181 K HN 0.096 nan 8.250 nan 0.000 0.438 182 E N 1.272 121.340 120.200 -0.219 0.000 2.118 182 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 182 E C 1.676 178.226 176.600 -0.083 0.000 0.992 182 E CA 1.341 57.664 56.400 -0.129 0.000 0.804 182 E CB 0.164 29.797 29.700 -0.112 0.000 0.741 182 E HN 0.323 nan 8.360 nan 0.000 0.458 183 Q N -1.179 118.582 119.800 -0.065 0.000 2.451 183 Q HA 0.091 4.431 4.340 -0.000 0.000 0.206 183 Q C 1.021 177.009 176.000 -0.021 0.000 0.947 183 Q CA 0.436 56.212 55.803 -0.046 0.000 0.937 183 Q CB 0.717 29.424 28.738 -0.053 0.000 1.025 183 Q HN 0.444 nan 8.270 nan 0.000 0.511 184 G N 1.068 109.875 108.800 0.011 0.000 2.160 184 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 184 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 184 G C 0.008 174.992 174.900 0.139 0.000 1.008 184 G CA -0.033 45.102 45.100 0.059 0.000 0.724 184 G HN 0.210 nan 8.290 nan 0.000 0.514 185 L N -0.997 120.350 121.223 0.207 0.000 2.469 185 L HA 0.366 4.706 4.340 -0.000 0.000 0.253 185 L C 1.829 178.970 176.870 0.452 0.000 1.143 185 L CA -0.167 54.833 54.840 0.267 0.000 0.804 185 L CB 0.390 42.540 42.059 0.151 0.000 1.214 185 L HN 0.162 nan 8.230 nan 0.000 0.476 186 N N -0.677 118.263 118.700 0.400 0.000 2.142 186 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 186 N C 0.248 175.715 175.510 -0.071 0.000 1.023 186 N CA 1.139 54.329 53.050 0.234 0.000 0.852 186 N CB 0.379 38.973 38.487 0.178 0.000 0.998 186 N HN 0.732 nan 8.380 nan 0.000 0.424 187 S N -1.958 113.521 115.700 -0.369 0.000 2.757 187 S HA 0.128 4.598 4.470 -0.000 0.000 0.285 187 S C 0.184 174.041 174.600 -1.238 0.000 1.196 187 S CA -0.428 57.033 58.200 -1.233 0.000 0.856 187 S CB 0.446 63.323 63.200 -0.540 0.000 1.212 187 S HN 0.307 nan 8.310 nan 0.000 0.516 188 E N 0.514 119.981 120.200 -1.221 0.000 2.482 188 E HA 0.052 4.402 4.350 -0.000 0.000 0.196 188 E C -0.067 176.544 176.600 0.019 0.000 1.047 188 E CA 0.035 56.138 56.400 -0.495 0.000 0.869 188 E CB -0.296 29.305 29.700 -0.164 0.000 0.836 188 E HN 0.465 nan 8.360 nan 0.000 0.520 189 N N 0.973 119.671 118.700 -0.003 0.000 2.476 189 N HA 0.419 5.159 4.740 -0.000 0.000 0.276 189 N C -0.600 175.050 175.510 0.233 0.000 1.204 189 N CA -0.292 52.789 53.050 0.053 0.000 0.974 189 N CB 1.042 39.513 38.487 -0.025 0.000 1.204 189 N HN 0.091 nan 8.380 nan 0.000 0.543 190 F N -3.213 116.707 119.950 -0.051 0.000 2.708 190 F HA 0.487 5.014 4.527 -0.000 0.000 0.309 190 F C -1.592 174.195 175.800 -0.022 0.000 1.120 190 F CA -1.126 56.892 58.000 0.031 0.000 0.978 190 F CB 0.709 39.741 39.000 0.053 0.000 1.283 190 F HN 0.037 nan 8.300 nan 0.000 0.439 191 V N 2.251 122.269 119.914 0.174 0.000 2.439 191 V HA 0.818 4.937 4.120 -0.000 0.000 0.277 191 V C -0.344 175.822 176.094 0.120 0.000 1.008 191 V CA -0.376 61.931 62.300 0.010 0.000 0.846 191 V CB 0.838 32.672 31.823 0.018 0.000 1.031 191 V HN 1.243 nan 8.190 nan 0.000 0.441 192 A N 4.484 127.363 122.820 0.098 0.000 2.355 192 A HA 0.998 5.317 4.320 -0.000 0.000 0.324 192 A C -1.249 176.364 177.584 0.048 0.000 1.117 192 A CA -0.394 51.816 52.037 0.288 0.000 0.785 192 A CB 1.209 20.532 19.000 0.539 0.000 1.254 192 A HN 0.552 nan 8.150 nan 0.000 0.453 193 F N 1.512 121.690 119.950 0.380 0.000 2.507 193 F HA 0.446 4.973 4.527 -0.001 0.000 0.325 193 F C 0.322 176.063 175.800 -0.098 0.000 1.116 193 F CA -0.754 57.387 58.000 0.235 0.000 0.930 193 F CB 2.095 41.207 39.000 0.187 0.000 1.146 193 F HN 0.558 nan 8.300 nan 0.000 0.447 194 N N 4.086 122.658 118.700 -0.214 0.000 2.564 194 N HA 0.324 5.064 4.740 -0.000 0.000 0.248 194 N C 0.665 176.065 175.510 -0.184 0.000 0.986 194 N CA -0.101 52.600 53.050 -0.582 0.000 0.921 194 N CB 0.930 38.572 38.487 -1.409 0.000 1.136 194 N HN 0.710 nan 8.380 nan 0.000 0.509 195 I N 1.446 121.972 120.570 -0.073 0.000 2.315 195 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 195 I C 1.810 177.956 176.117 0.049 0.000 1.117 195 I CA 1.068 62.394 61.300 0.042 0.000 1.404 195 I CB 0.014 37.858 38.000 -0.260 0.000 1.071 195 I HN 0.463 nan 8.210 nan 0.000 0.419 196 T N 0.136 114.659 114.554 -0.051 0.000 2.708 196 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 196 T C 1.695 176.356 174.700 -0.066 0.000 1.037 196 T CA 1.371 63.458 62.100 -0.022 0.000 1.146 196 T CB -0.241 68.600 68.868 -0.046 0.000 0.865 196 T HN 0.419 nan 8.240 nan 0.000 0.435 197 E N 0.335 120.445 120.200 -0.150 0.000 2.285 197 E HA 0.202 4.552 4.350 -0.000 0.000 0.194 197 E C 1.216 177.671 176.600 -0.242 0.000 0.997 197 E CA 0.219 56.535 56.400 -0.139 0.000 0.845 197 E CB -0.006 29.639 29.700 -0.092 0.000 0.782 197 E HN 0.523 nan 8.360 nan 0.000 0.491 198 G N 1.817 110.354 108.800 -0.438 0.000 2.289 198 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 198 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 198 G C -0.195 174.014 174.900 -1.152 0.000 1.089 198 G CA 0.100 44.527 45.100 -1.122 0.000 0.939 198 G HN 0.168 nan 8.290 nan 0.000 0.499 199 I N -0.721 119.489 120.570 -0.601 0.000 2.686 199 I HA 0.464 4.633 4.170 -0.000 0.000 0.295 199 I C -0.085 176.254 176.117 0.370 0.000 1.114 199 I CA -0.854 60.440 61.300 -0.010 0.000 1.038 199 I CB 2.375 40.523 38.000 0.248 0.000 1.238 199 I HN 0.247 nan 8.210 nan 0.000 0.420 200 Q N 6.322 126.353 119.800 0.385 0.000 2.333 200 Q HA 0.670 5.010 4.340 -0.000 0.000 0.267 200 Q C -2.012 174.036 176.000 0.080 0.000 1.012 200 Q CA -0.683 55.222 55.803 0.169 0.000 0.824 200 Q CB 2.019 30.818 28.738 0.101 0.000 1.290 200 Q HN 0.611 nan 8.270 nan 0.000 0.449 201 L N 4.999 126.243 121.223 0.035 0.000 2.329 201 L HA 0.603 4.943 4.340 -0.000 0.000 0.279 201 L C -0.573 176.246 176.870 -0.086 0.000 1.014 201 L CA -0.831 54.019 54.840 0.016 0.000 0.814 201 L CB 1.740 43.836 42.059 0.061 0.000 1.257 201 L HN 0.624 nan 8.230 nan 0.000 0.424 202 I N 1.888 122.332 120.570 -0.210 0.000 2.436 202 I HA 0.625 4.795 4.170 -0.000 0.000 0.289 202 I C 0.086 175.793 176.117 -0.682 0.000 1.010 202 I CA -0.368 60.689 61.300 -0.405 0.000 1.098 202 I CB 2.097 39.903 38.000 -0.324 0.000 1.266 202 I HN 0.661 nan 8.210 nan 0.000 0.434 203 G N 2.573 110.642 108.800 -1.219 0.000 2.719 203 G HA2 0.535 4.495 3.960 -0.000 0.000 0.298 203 G HA3 0.535 4.495 3.960 -0.000 0.000 0.298 203 G C 0.366 174.789 174.900 -0.795 0.000 1.433 203 G CA 0.039 44.351 45.100 -1.312 0.000 1.034 203 G HN 0.954 nan 8.290 nan 0.000 0.517 204 G N 0.638 109.216 108.800 -0.371 0.000 2.383 204 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.229 204 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.229 204 G C 0.794 175.716 174.900 0.036 0.000 1.089 204 G CA 1.056 46.103 45.100 -0.087 0.000 0.640 204 G HN 1.676 nan 8.290 nan 0.000 0.510 205 T N -0.810 113.581 114.554 -0.271 0.000 2.824 205 T HA 0.525 4.874 4.350 -0.000 0.000 0.280 205 T C 0.592 175.277 174.700 -0.025 0.000 0.995 205 T CA 0.123 62.089 62.100 -0.223 0.000 1.009 205 T CB 0.805 69.126 68.868 -0.912 0.000 0.955 205 T HN 0.310 nan 8.240 nan 0.000 0.452 206 W N 2.862 124.166 121.300 0.007 0.000 3.114 206 W HA 0.294 4.955 4.660 0.001 0.000 0.279 206 W C 0.207 176.799 176.519 0.123 0.000 1.277 206 W CA -0.759 56.600 57.345 0.023 0.000 1.630 206 W CB -0.337 29.184 29.460 0.103 0.000 1.087 206 W HN 0.708 nan 8.180 nan 0.000 0.637 207 Y N 1.865 122.294 120.300 0.215 0.000 2.804 207 Y HA 0.112 4.662 4.550 0.000 0.000 0.338 207 Y C 1.647 177.534 175.900 -0.022 0.000 1.252 207 Y CA 0.564 58.752 58.100 0.147 0.000 1.576 207 Y CB 0.600 39.133 38.460 0.123 0.000 1.223 207 Y HN 0.053 nan 8.280 nan 0.000 0.536 208 G N 4.241 112.689 108.800 -0.587 0.000 2.442 208 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.219 208 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.219 208 G C 1.698 175.822 174.900 -1.292 0.000 1.141 208 G CA 0.671 45.049 45.100 -1.202 0.000 0.763 208 G HN 0.957 nan 8.290 nan 0.000 0.554 209 G N 0.676 108.796 108.800 -1.133 0.000 2.485 209 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.221 209 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.221 209 G C 1.581 176.480 174.900 -0.002 0.000 1.115 209 G CA 1.064 45.971 45.100 -0.321 0.000 0.751 209 G HN 0.427 nan 8.290 nan 0.000 0.567 210 E N 0.122 120.331 120.200 0.014 0.000 2.153 210 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 210 E C 2.534 179.193 176.600 0.098 0.000 0.988 210 E CA 0.754 57.220 56.400 0.111 0.000 0.811 210 E CB -0.250 29.474 29.700 0.041 0.000 0.746 210 E HN 0.535 nan 8.360 nan 0.000 0.466 211 M N 0.312 119.908 119.600 -0.006 0.000 2.193 211 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 211 M C 2.446 178.956 176.300 0.349 0.000 1.071 211 M CA 1.132 56.514 55.300 0.136 0.000 1.140 211 M CB -0.217 32.436 32.600 0.088 0.000 1.369 211 M HN -0.069 nan 8.290 nan 0.000 0.423 212 K N 0.739 121.327 120.400 0.314 0.000 1.985 212 K HA -0.166 4.153 4.320 -0.000 0.000 0.210 212 K C 1.847 178.551 176.600 0.173 0.000 1.047 212 K CA 1.296 57.722 56.287 0.233 0.000 0.932 212 K CB 0.083 32.640 32.500 0.094 0.000 0.716 212 K HN 0.024 nan 8.250 nan 0.000 0.439 213 K N 0.100 120.577 120.400 0.128 0.000 2.288 213 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 213 K C 2.059 178.797 176.600 0.231 0.000 1.048 213 K CA 1.059 57.385 56.287 0.065 0.000 0.956 213 K CB -0.272 32.230 32.500 0.003 0.000 0.746 213 K HN 0.441 nan 8.250 nan 0.000 0.461 214 G N 0.908 109.905 108.800 0.328 0.000 2.394 214 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 214 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 214 G C 1.475 176.542 174.900 0.278 0.000 1.165 214 G CA 0.276 45.657 45.100 0.468 0.000 0.784 214 G HN 0.106 nan 8.290 nan 0.000 0.535 215 M N -0.142 119.638 119.600 0.299 0.000 2.229 215 M HA 0.158 4.637 4.480 -0.000 0.000 0.264 215 M C 2.194 178.622 176.300 0.213 0.000 1.063 215 M CA 0.314 55.739 55.300 0.210 0.000 1.114 215 M CB -1.049 31.799 32.600 0.412 0.000 1.387 215 M HN 0.271 nan 8.290 nan 0.000 0.420 216 F N 1.273 121.272 119.950 0.081 0.000 2.134 216 F HA -0.136 4.391 4.527 -0.001 0.000 0.299 216 F C 2.352 178.198 175.800 0.077 0.000 1.097 216 F CA 1.337 59.387 58.000 0.083 0.000 1.264 216 F CB -0.593 38.376 39.000 -0.053 0.000 1.001 216 F HN 0.090 nan 8.300 nan 0.000 0.479 217 S N 0.295 115.967 115.700 -0.046 0.000 2.383 217 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 217 S C 2.046 176.528 174.600 -0.196 0.000 1.030 217 S CA 1.522 59.607 58.200 -0.191 0.000 1.002 217 S CB -0.272 62.763 63.200 -0.276 0.000 0.829 217 S HN 0.304 nan 8.310 nan 0.000 0.467 218 M N 0.619 120.105 119.600 -0.189 0.000 2.156 218 M HA 0.103 4.583 4.480 -0.000 0.000 0.264 218 M C 2.025 178.376 176.300 0.086 0.000 1.067 218 M CA 1.174 56.391 55.300 -0.140 0.000 1.131 218 M CB -1.137 31.249 32.600 -0.357 0.000 1.368 218 M HN 0.299 nan 8.290 nan 0.000 0.416 219 M N 0.321 119.963 119.600 0.070 0.000 2.159 219 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 219 M C 1.471 177.864 176.300 0.155 0.000 1.063 219 M CA 1.282 56.642 55.300 0.099 0.000 1.110 219 M CB -1.674 30.841 32.600 -0.141 0.000 1.374 219 M HN 0.260 nan 8.290 nan 0.000 0.411 220 N N -0.464 118.278 118.700 0.070 0.000 2.519 220 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 220 N C 1.403 177.017 175.510 0.174 0.000 1.062 220 N CA 0.792 53.945 53.050 0.171 0.000 0.910 220 N CB -0.220 38.254 38.487 -0.021 0.000 0.958 220 N HN 0.484 nan 8.380 nan 0.000 0.445 221 Y N -0.315 119.930 120.300 -0.092 0.000 2.284 221 Y HA 0.092 4.642 4.550 -0.001 0.000 0.293 221 Y C 1.711 177.466 175.900 -0.241 0.000 1.140 221 Y CA 0.809 58.755 58.100 -0.256 0.000 1.153 221 Y CB -0.512 37.647 38.460 -0.502 0.000 1.114 221 Y HN -0.204 nan 8.280 nan 0.000 0.521 222 F N 0.082 120.075 119.950 0.072 0.000 2.102 222 F HA -0.189 4.338 4.527 -0.001 0.000 0.298 222 F C 2.056 177.832 175.800 -0.039 0.000 1.105 222 F CA 1.204 59.202 58.000 -0.003 0.000 1.239 222 F CB -1.085 38.006 39.000 0.151 0.000 0.991 222 F HN 0.097 nan 8.300 nan 0.000 0.474 223 L N -0.094 121.254 121.223 0.208 0.000 1.994 223 L HA -0.112 4.227 4.340 -0.000 0.000 0.208 223 L C -0.405 176.482 176.870 0.027 0.000 1.071 223 L CA 2.115 57.044 54.840 0.148 0.000 0.745 223 L CB -2.209 39.995 42.059 0.242 0.000 0.892 223 L HN -0.024 nan 8.230 nan 0.000 0.431 224 P HA -0.140 nan 4.420 nan 0.000 0.219 224 P C 1.947 179.146 177.300 -0.168 0.000 1.146 224 P CA 1.167 64.181 63.100 -0.143 0.000 0.808 224 P CB 0.021 31.513 31.700 -0.347 0.000 0.779 225 L N -1.029 120.077 121.223 -0.195 0.000 2.362 225 L HA -0.095 4.245 4.340 -0.000 0.000 0.219 225 L C 1.671 178.495 176.870 -0.078 0.000 1.134 225 L CA 1.310 56.043 54.840 -0.178 0.000 0.807 225 L CB -0.527 41.372 42.059 -0.267 0.000 0.927 225 L HN -0.017 nan 8.230 nan 0.000 0.447 226 K N -0.261 120.118 120.400 -0.035 0.000 2.397 226 K HA 0.221 4.541 4.320 -0.000 0.000 0.202 226 K C 1.029 177.613 176.600 -0.026 0.000 1.022 226 K CA 0.484 56.775 56.287 0.007 0.000 1.141 226 K CB 0.759 33.303 32.500 0.073 0.000 0.857 226 K HN 0.266 nan 8.250 nan 0.000 0.514 227 G N 1.208 109.976 108.800 -0.054 0.000 2.148 227 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.254 227 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.254 227 G C 0.007 174.868 174.900 -0.064 0.000 0.981 227 G CA -0.001 45.063 45.100 -0.061 0.000 0.670 227 G HN 0.138 nan 8.290 nan 0.000 0.528 228 V N 0.876 120.756 119.914 -0.056 0.000 2.435 228 V HA 0.771 4.890 4.120 -0.000 0.000 0.290 228 V C 0.890 177.045 176.094 0.102 0.000 1.030 228 V CA -0.419 61.879 62.300 -0.002 0.000 0.881 228 V CB 1.484 33.255 31.823 -0.087 0.000 0.983 228 V HN 1.056 nan 8.190 nan 0.000 0.445 229 A N 3.684 126.598 122.820 0.156 0.000 2.425 229 A HA 0.574 4.894 4.320 -0.000 0.000 0.249 229 A C 0.368 178.160 177.584 0.346 0.000 1.084 229 A CA 0.032 52.215 52.037 0.244 0.000 0.781 229 A CB 0.592 19.757 19.000 0.276 0.000 1.019 229 A HN 0.825 nan 8.150 nan 0.000 0.490 230 S N 2.026 117.992 115.700 0.443 0.000 2.707 230 S HA 0.661 5.130 4.470 -0.000 0.000 0.312 230 S C -0.639 174.282 174.600 0.535 0.000 1.116 230 S CA -0.555 57.974 58.200 0.548 0.000 1.078 230 S CB -0.121 63.428 63.200 0.582 0.000 0.997 230 S HN 0.595 nan 8.310 nan 0.000 0.477 231 M N 4.047 123.908 119.600 0.435 0.000 2.465 231 M HA 0.362 4.842 4.480 -0.000 0.000 0.316 231 M C -0.444 176.196 176.300 0.567 0.000 1.121 231 M CA -0.640 55.003 55.300 0.571 0.000 0.934 231 M CB 2.182 35.097 32.600 0.525 0.000 1.692 231 M HN 0.662 nan 8.290 nan 0.000 0.444 232 H N 3.084 122.510 119.070 0.593 0.000 2.821 232 H HA 0.486 5.042 4.556 -0.001 0.000 0.262 232 H C -1.287 174.086 175.328 0.076 0.000 1.402 232 H CA -0.601 55.664 56.048 0.361 0.000 1.293 232 H CB 0.340 30.425 29.762 0.539 0.000 1.533 232 H HN 0.912 nan 8.280 nan 0.000 0.528 233 C N 2.036 121.210 119.300 -0.210 0.000 3.321 233 C HA 0.663 5.123 4.460 -0.000 0.000 0.329 233 C C -0.047 174.773 174.990 -0.284 0.000 1.394 233 C CA -0.840 57.849 59.018 -0.549 0.000 1.291 233 C CB 1.337 28.339 27.740 -1.230 0.000 1.606 233 C HN 0.701 nan 8.230 nan 0.000 0.463 234 S N 1.055 116.575 115.700 -0.300 0.000 2.722 234 S HA 0.941 5.410 4.470 -0.000 0.000 0.292 234 S C -0.377 174.006 174.600 -0.362 0.000 1.135 234 S CA 0.113 58.188 58.200 -0.209 0.000 1.003 234 S CB 1.541 64.623 63.200 -0.196 0.000 1.067 234 S HN 2.575 nan 8.310 nan 0.000 0.546 235 A N 1.349 123.933 122.820 -0.393 0.000 2.547 235 A HA 0.759 5.079 4.320 -0.000 0.000 0.297 235 A C -1.094 176.401 177.584 -0.148 0.000 1.056 235 A CA -0.941 50.885 52.037 -0.351 0.000 0.688 235 A CB 1.140 19.673 19.000 -0.778 0.000 1.282 235 A HN 1.144 nan 8.150 nan 0.000 0.400 236 N N -0.424 118.256 118.700 -0.034 0.000 2.774 236 N HA 0.724 5.464 4.740 -0.000 0.000 0.264 236 N C -1.699 173.800 175.510 -0.017 0.000 1.415 236 N CA -0.700 52.339 53.050 -0.019 0.000 0.815 236 N CB 1.907 40.387 38.487 -0.012 0.000 1.514 236 N HN 1.191 nan 8.380 nan 0.000 0.523 237 V N -0.680 119.225 119.914 -0.014 0.000 2.733 237 V HA 0.840 4.960 4.120 -0.000 0.000 0.306 237 V C 0.404 176.494 176.094 -0.007 0.000 1.084 237 V CA -0.349 61.940 62.300 -0.018 0.000 0.905 237 V CB 1.151 32.960 31.823 -0.024 0.000 1.010 237 V HN 1.040 nan 8.190 nan 0.000 0.424 238 G N 3.929 112.725 108.800 -0.006 0.000 2.634 238 G HA2 0.238 4.197 3.960 -0.000 0.000 0.255 238 G HA3 0.238 4.197 3.960 -0.000 0.000 0.255 238 G C 0.467 175.365 174.900 -0.003 0.000 1.205 238 G CA -0.193 44.905 45.100 -0.004 0.000 0.884 238 G HN 0.920 nan 8.290 nan 0.000 0.549 239 K N -0.482 119.916 120.400 -0.003 0.000 2.152 239 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 239 K C 1.363 177.964 176.600 0.001 0.000 1.048 239 K CA 1.545 57.831 56.287 -0.001 0.000 0.933 239 K CB 0.096 32.594 32.500 -0.003 0.000 0.721 239 K HN 0.375 nan 8.250 nan 0.000 0.447 240 D N -0.957 119.444 120.400 0.001 0.000 2.349 240 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 240 D C 1.018 177.322 176.300 0.006 0.000 1.029 240 D CA 0.863 54.865 54.000 0.004 0.000 0.879 240 D CB 0.672 41.474 40.800 0.003 0.000 0.906 240 D HN 0.411 nan 8.370 nan 0.000 0.528 241 G N 1.707 110.509 108.800 0.003 0.000 2.144 241 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 241 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 241 G C -0.296 174.603 174.900 -0.002 0.000 0.988 241 G CA -0.023 45.079 45.100 0.003 0.000 0.659 241 G HN 0.387 nan 8.290 nan 0.000 0.522 242 D N 0.660 121.056 120.400 -0.006 0.000 2.312 242 D HA 0.445 5.085 4.640 -0.000 0.000 0.252 242 D C 0.245 176.524 176.300 -0.035 0.000 1.150 242 D CA -0.408 53.585 54.000 -0.013 0.000 0.870 242 D CB 2.181 42.976 40.800 -0.009 0.000 1.153 242 D HN 0.155 nan 8.370 nan 0.000 0.457 243 V N 0.993 120.869 119.914 -0.063 0.000 2.483 243 V HA 0.685 4.804 4.120 -0.000 0.000 0.295 243 V C 0.318 176.320 176.094 -0.153 0.000 1.035 243 V CA -0.738 61.492 62.300 -0.116 0.000 0.896 243 V CB 1.123 32.840 31.823 -0.178 0.000 0.986 243 V HN 0.926 nan 8.190 nan 0.000 0.447 244 A N 5.790 128.518 122.820 -0.153 0.000 2.435 244 A HA 0.968 5.288 4.320 -0.000 0.000 0.304 244 A C -0.807 176.618 177.584 -0.265 0.000 1.064 244 A CA -0.664 51.233 52.037 -0.233 0.000 0.727 244 A CB 1.600 20.453 19.000 -0.246 0.000 1.284 244 A HN 0.981 nan 8.150 nan 0.000 0.415 245 I N -1.851 118.495 120.570 -0.373 0.000 2.608 245 I HA 0.870 5.040 4.170 -0.000 0.000 0.295 245 I C -1.724 174.169 176.117 -0.374 0.000 1.049 245 I CA -0.792 60.326 61.300 -0.303 0.000 1.063 245 I CB 1.970 39.789 38.000 -0.301 0.000 1.248 245 I HN 0.387 nan 8.210 nan 0.000 0.424 246 F N 4.482 124.255 119.950 -0.295 0.000 2.507 246 F HA 0.659 5.186 4.527 -0.000 0.000 0.325 246 F C -0.695 174.879 175.800 -0.376 0.000 1.116 246 F CA -0.636 57.257 58.000 -0.179 0.000 0.930 246 F CB 1.796 40.704 39.000 -0.153 0.000 1.146 246 F HN 0.283 nan 8.300 nan 0.000 0.447 247 F N 0.845 120.792 119.950 -0.004 0.000 2.538 247 F HA 0.861 5.388 4.527 -0.001 0.000 0.325 247 F C 0.366 175.891 175.800 -0.457 0.000 1.066 247 F CA -1.156 56.613 58.000 -0.385 0.000 0.946 247 F CB 2.469 40.902 39.000 -0.946 0.000 1.199 247 F HN 0.595 nan 8.300 nan 0.000 0.473 248 G N 2.194 110.868 108.800 -0.211 0.000 2.380 248 G HA2 0.351 4.311 3.960 -0.000 0.000 0.305 248 G HA3 0.351 4.311 3.960 -0.000 0.000 0.305 248 G C -1.540 173.460 174.900 0.166 0.000 1.672 248 G CA -1.048 44.081 45.100 0.049 0.000 0.904 248 G HN 0.618 nan 8.290 nan 0.000 0.686 249 L N 0.879 122.268 121.223 0.277 0.000 2.475 249 L HA 0.373 4.713 4.340 -0.000 0.000 0.250 249 L C 1.363 178.290 176.870 0.095 0.000 1.224 249 L CA -0.597 54.356 54.840 0.188 0.000 0.821 249 L CB 0.487 42.634 42.059 0.147 0.000 1.141 249 L HN 0.554 nan 8.230 nan 0.000 0.494 250 S N 0.300 116.046 115.700 0.076 0.000 2.558 250 S HA 0.198 4.667 4.470 -0.000 0.000 0.293 250 S C 0.937 175.557 174.600 0.033 0.000 1.292 250 S CA 0.567 58.794 58.200 0.044 0.000 1.063 250 S CB 0.557 63.784 63.200 0.045 0.000 0.831 250 S HN 1.010 nan 8.310 nan 0.000 0.499 251 G N 1.842 110.652 108.800 0.018 0.000 2.159 251 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.256 251 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.256 251 G C 0.636 175.540 174.900 0.006 0.000 0.977 251 G CA 0.605 45.713 45.100 0.014 0.000 0.652 251 G HN 0.997 nan 8.290 nan 0.000 0.531 252 T N -2.348 112.216 114.554 0.016 0.000 3.086 252 T HA 0.467 4.817 4.350 -0.000 0.000 0.250 252 T C 2.116 176.819 174.700 0.004 0.000 1.074 252 T CA 1.385 63.501 62.100 0.027 0.000 0.988 252 T CB 0.546 69.461 68.868 0.079 0.000 0.988 252 T HN 2.155 nan 8.240 nan 0.000 0.530 253 G N 1.809 110.595 108.800 -0.024 0.000 2.132 253 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.234 253 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.234 253 G C 0.661 175.523 174.900 -0.064 0.000 0.989 253 G CA 0.482 45.553 45.100 -0.048 0.000 0.676 253 G HN 0.578 nan 8.290 nan 0.000 0.522 254 K N -0.283 120.083 120.400 -0.056 0.000 2.009 254 K HA -0.127 4.193 4.320 -0.000 0.000 0.210 254 K C 2.569 179.052 176.600 -0.194 0.000 1.049 254 K CA 2.173 58.400 56.287 -0.101 0.000 0.929 254 K CB -0.352 32.099 32.500 -0.082 0.000 0.714 254 K HN 0.359 nan 8.250 nan 0.000 0.440 255 T N 0.298 114.762 114.554 -0.149 0.000 2.708 255 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 255 T C 1.836 176.429 174.700 -0.178 0.000 1.037 255 T CA 1.966 63.970 62.100 -0.160 0.000 1.146 255 T CB -0.412 68.392 68.868 -0.107 0.000 0.865 255 T HN 0.365 nan 8.240 nan 0.000 0.435 256 T N 2.216 116.683 114.554 -0.145 0.000 2.777 256 T HA 0.083 4.432 4.350 -0.000 0.000 0.266 256 T C 1.907 176.504 174.700 -0.171 0.000 1.040 256 T CA 0.836 62.855 62.100 -0.136 0.000 1.141 256 T CB -0.354 68.453 68.868 -0.102 0.000 0.868 256 T HN 0.252 nan 8.240 nan 0.000 0.444 257 L N 1.519 122.622 121.223 -0.200 0.000 2.395 257 L HA 0.034 4.374 4.340 -0.000 0.000 0.218 257 L C 2.397 178.982 176.870 -0.475 0.000 1.130 257 L CA 0.848 55.555 54.840 -0.222 0.000 0.826 257 L CB -0.377 41.620 42.059 -0.102 0.000 0.941 257 L HN 0.329 nan 8.230 nan 0.000 0.451 258 S N -2.977 112.316 115.700 -0.677 0.000 2.556 258 S HA 0.069 4.539 4.470 -0.000 0.000 0.216 258 S C 0.750 175.087 174.600 -0.438 0.000 0.970 258 S CA -0.392 57.237 58.200 -0.952 0.000 0.912 258 S CB -0.078 62.458 63.200 -1.106 0.000 0.790 258 S HN 0.133 nan 8.310 nan 0.000 0.504 259 T N 3.302 117.683 114.554 -0.289 0.000 2.770 259 T HA 0.517 4.866 4.350 -0.000 0.000 0.297 259 T C -1.352 173.269 174.700 -0.132 0.000 0.997 259 T CA -0.411 61.585 62.100 -0.172 0.000 0.949 259 T CB 1.072 69.859 68.868 -0.136 0.000 0.941 259 T HN 0.301 nan 8.240 nan 0.000 0.457 260 D N 3.770 124.110 120.400 -0.101 0.000 2.970 260 D HA 0.334 4.974 4.640 -0.000 0.000 0.230 260 D C -2.129 174.141 176.300 -0.051 0.000 1.276 260 D CA -2.247 51.711 54.000 -0.070 0.000 0.910 260 D CB 2.474 43.239 40.800 -0.059 0.000 1.590 260 D HN 0.034 nan 8.370 nan 0.000 0.551 261 P HA -0.114 nan 4.420 nan 0.000 0.217 261 P C 0.596 177.880 177.300 -0.026 0.000 1.148 261 P CA 1.343 64.422 63.100 -0.034 0.000 0.828 261 P CB 0.315 31.996 31.700 -0.032 0.000 0.783 262 K N -1.326 119.060 120.400 -0.025 0.000 2.444 262 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 262 K C 0.457 177.048 176.600 -0.014 0.000 1.024 262 K CA 0.277 56.553 56.287 -0.018 0.000 1.077 262 K CB 0.197 32.687 32.500 -0.016 0.000 0.833 262 K HN 0.177 nan 8.250 nan 0.000 0.517 263 R N 1.303 121.792 120.500 -0.018 0.000 2.476 263 R HA 0.215 4.555 4.340 -0.000 0.000 0.305 263 R C -0.768 175.521 176.300 -0.019 0.000 0.965 263 R CA -0.480 55.612 56.100 -0.013 0.000 0.867 263 R CB 1.756 32.052 30.300 -0.005 0.000 1.176 263 R HN 0.062 nan 8.270 nan 0.000 0.447 264 Q N 1.881 121.674 119.800 -0.011 0.000 2.332 264 Q HA 0.123 4.463 4.340 -0.000 0.000 0.263 264 Q C -0.406 175.588 176.000 -0.010 0.000 0.979 264 Q CA -0.403 55.397 55.803 -0.006 0.000 0.885 264 Q CB 1.101 29.842 28.738 0.005 0.000 1.218 264 Q HN 0.293 nan 8.270 nan 0.000 0.405 265 L N 3.404 124.622 121.223 -0.009 0.000 2.360 265 L HA 0.094 4.434 4.340 -0.000 0.000 0.276 265 L C 0.276 177.157 176.870 0.018 0.000 1.121 265 L CA 0.795 55.628 54.840 -0.012 0.000 0.845 265 L CB 0.413 42.463 42.059 -0.014 0.000 1.143 265 L HN 0.745 nan 8.230 nan 0.000 0.452 266 I N 3.499 124.082 120.570 0.020 0.000 2.429 266 I HA 0.268 4.438 4.170 -0.000 0.000 0.247 266 I C 1.110 177.325 176.117 0.164 0.000 1.099 266 I CA 0.763 62.108 61.300 0.076 0.000 1.422 266 I CB -0.141 37.884 38.000 0.042 0.000 1.112 266 I HN 0.767 nan 8.210 nan 0.000 0.430 267 G N 0.028 108.967 108.800 0.231 0.000 2.547 267 G HA2 0.226 4.185 3.960 -0.000 0.000 0.291 267 G HA3 0.226 4.185 3.960 -0.000 0.000 0.291 267 G C -1.136 173.857 174.900 0.154 0.000 1.471 267 G CA -0.007 45.217 45.100 0.205 0.000 0.798 267 G HN 0.114 nan 8.290 nan 0.000 0.504 268 D N -1.532 118.878 120.400 0.016 0.000 2.433 268 D HA 0.191 4.830 4.640 -0.000 0.000 0.211 268 D C 0.525 176.775 176.300 -0.083 0.000 1.114 268 D CA 0.454 54.428 54.000 -0.043 0.000 0.837 268 D CB 1.334 42.084 40.800 -0.083 0.000 0.984 268 D HN 0.351 nan 8.370 nan 0.000 0.505 269 D N -0.422 119.913 120.400 -0.109 0.000 2.017 269 D HA 0.084 4.724 4.640 -0.000 0.000 0.336 269 D C -0.642 175.500 176.300 -0.263 0.000 1.104 269 D CA 0.275 54.164 54.000 -0.185 0.000 0.965 269 D CB 0.798 41.486 40.800 -0.188 0.000 1.864 269 D HN 0.061 nan 8.370 nan 0.000 0.538 270 E N -0.192 119.705 120.200 -0.505 0.000 2.241 270 E HA 0.491 4.840 4.350 -0.000 0.000 0.263 270 E C -1.279 174.605 176.600 -1.194 0.000 0.882 270 E CA -0.554 55.402 56.400 -0.741 0.000 0.769 270 E CB 1.945 31.186 29.700 -0.764 0.000 1.185 270 E HN 0.198 nan 8.360 nan 0.000 0.415 271 H N 0.205 118.705 119.070 -0.951 0.000 2.928 271 H HA 0.655 5.211 4.556 -0.001 0.000 0.371 271 H C -0.148 174.502 175.328 -1.129 0.000 1.186 271 H CA -0.833 54.594 56.048 -1.035 0.000 1.134 271 H CB 2.124 31.570 29.762 -0.528 0.000 1.824 271 H HN 0.567 nan 8.280 nan 0.000 0.554 272 G N -0.187 107.967 108.800 -1.076 0.000 2.489 272 G HA2 0.395 4.355 3.960 -0.000 0.000 0.327 272 G HA3 0.395 4.355 3.960 -0.000 0.000 0.327 272 G C -1.737 172.921 174.900 -0.404 0.000 1.189 272 G CA -0.553 44.090 45.100 -0.763 0.000 0.962 272 G HN 0.471 nan 8.290 nan 0.000 0.486 273 W N 2.766 124.027 121.300 -0.065 0.000 2.591 273 W HA 0.409 5.069 4.660 -0.001 0.000 0.311 273 W C -1.146 175.520 176.519 0.244 0.000 1.003 273 W CA -1.642 55.772 57.345 0.115 0.000 1.332 273 W CB 1.246 30.761 29.460 0.093 0.000 1.272 273 W HN 0.771 nan 8.180 nan 0.000 0.412 274 D N 1.958 122.785 120.400 0.712 0.000 2.624 274 D HA 0.174 4.814 4.640 -0.000 0.000 0.257 274 D C 1.276 177.833 176.300 0.429 0.000 1.167 274 D CA -0.171 54.091 54.000 0.438 0.000 1.086 274 D CB 0.223 41.282 40.800 0.431 0.000 1.210 274 D HN 0.310 nan 8.370 nan 0.000 0.631 275 E N -0.203 120.200 120.200 0.337 0.000 2.333 275 E HA -0.122 4.228 4.350 -0.000 0.000 0.198 275 E C 0.921 177.768 176.600 0.411 0.000 1.007 275 E CA 0.990 57.597 56.400 0.345 0.000 0.845 275 E CB -0.333 29.506 29.700 0.230 0.000 0.766 275 E HN 0.262 nan 8.360 nan 0.000 0.507 276 S N -0.236 115.627 115.700 0.272 0.000 2.502 276 S HA 0.415 4.885 4.470 -0.000 0.000 0.215 276 S C 0.712 175.227 174.600 -0.142 0.000 1.009 276 S CA 0.251 58.532 58.200 0.134 0.000 0.908 276 S CB 0.988 64.248 63.200 0.101 0.000 0.801 276 S HN 0.714 nan 8.310 nan 0.000 0.505 277 G N 0.587 109.277 108.800 -0.182 0.000 2.320 277 G HA2 0.153 4.113 3.960 -0.000 0.000 0.274 277 G HA3 0.153 4.113 3.960 -0.000 0.000 0.274 277 G C -1.635 173.286 174.900 0.034 0.000 1.324 277 G CA -0.789 44.116 45.100 -0.326 0.000 0.957 277 G HN 0.094 nan 8.290 nan 0.000 0.481 278 V N 1.119 120.934 119.914 -0.164 0.000 2.439 278 V HA 0.726 4.846 4.120 -0.000 0.000 0.282 278 V C -0.229 175.953 176.094 0.147 0.000 1.039 278 V CA -0.115 62.100 62.300 -0.140 0.000 0.913 278 V CB 0.436 31.997 31.823 -0.435 0.000 0.983 278 V HN 1.079 nan 8.190 nan 0.000 0.460 279 F N 2.355 122.373 119.950 0.114 0.000 2.556 279 F HA 0.630 5.156 4.527 -0.000 0.000 0.314 279 F C -0.452 175.452 175.800 0.175 0.000 1.106 279 F CA -1.403 56.694 58.000 0.162 0.000 0.911 279 F CB 1.170 40.283 39.000 0.189 0.000 1.190 279 F HN 0.348 nan 8.300 nan 0.000 0.448 280 N N 1.734 120.576 118.700 0.236 0.000 2.479 280 N HA 0.117 4.857 4.740 -0.000 0.000 0.257 280 N C 0.189 175.813 175.510 0.189 0.000 1.232 280 N CA -0.302 52.659 53.050 -0.148 0.000 0.920 280 N CB 0.371 38.817 38.487 -0.069 0.000 1.105 280 N HN 0.617 nan 8.380 nan 0.000 0.444 281 F N 0.680 120.538 119.950 -0.153 0.000 2.569 281 F HA 0.211 4.738 4.527 -0.001 0.000 0.295 281 F C 0.895 176.681 175.800 -0.023 0.000 1.115 281 F CA 0.175 58.201 58.000 0.043 0.000 1.450 281 F CB -0.263 38.747 39.000 0.017 0.000 1.107 281 F HN 0.425 nan 8.300 nan 0.000 0.563 282 E N -1.057 119.156 120.200 0.021 0.000 2.232 282 E HA 0.495 4.845 4.350 -0.000 0.000 0.265 282 E C 0.815 177.375 176.600 -0.068 0.000 1.001 282 E CA -0.204 56.116 56.400 -0.132 0.000 0.870 282 E CB 1.140 30.671 29.700 -0.282 0.000 1.175 282 E HN 0.069 nan 8.360 nan 0.000 0.407 283 G N 0.319 109.057 108.800 -0.103 0.000 3.277 283 G HA2 0.426 4.386 3.960 -0.000 0.000 0.243 283 G HA3 0.426 4.386 3.960 -0.000 0.000 0.243 283 G C 0.241 175.081 174.900 -0.099 0.000 1.107 283 G CA 0.418 45.504 45.100 -0.022 0.000 0.771 283 G HN 0.564 nan 8.290 nan 0.000 0.544 284 G N -1.475 107.205 108.800 -0.201 0.000 2.561 284 G HA2 0.430 4.389 3.960 -0.000 0.000 0.310 284 G HA3 0.430 4.389 3.960 -0.000 0.000 0.310 284 G C -1.712 172.984 174.900 -0.341 0.000 1.292 284 G CA -0.375 44.565 45.100 -0.267 0.000 0.811 284 G HN 0.280 nan 8.290 nan 0.000 0.482 285 C N -0.745 118.244 119.300 -0.519 0.000 2.563 285 C HA 0.673 5.132 4.460 -0.000 0.000 0.314 285 C C -1.226 173.400 174.990 -0.608 0.000 1.199 285 C CA -0.690 58.003 59.018 -0.542 0.000 1.564 285 C CB 0.985 28.410 27.740 -0.525 0.000 2.173 285 C HN 0.603 nan 8.230 nan 0.000 0.485 286 Y N 2.595 122.609 120.300 -0.475 0.000 2.712 286 Y HA 0.620 5.169 4.550 -0.000 0.000 0.328 286 Y C 0.107 175.885 175.900 -0.203 0.000 0.995 286 Y CA -0.934 56.965 58.100 -0.335 0.000 1.283 286 Y CB 0.186 38.522 38.460 -0.208 0.000 1.092 286 Y HN 0.868 nan 8.280 nan 0.000 0.519 287 A N 5.392 128.083 122.820 -0.216 0.000 2.303 287 A HA 0.562 4.882 4.320 -0.000 0.000 0.317 287 A C -0.399 177.084 177.584 -0.167 0.000 1.149 287 A CA -0.930 51.012 52.037 -0.158 0.000 0.822 287 A CB 0.651 19.633 19.000 -0.031 0.000 1.131 287 A HN 0.700 nan 8.150 nan 0.000 0.493 288 K N 0.638 120.962 120.400 -0.127 0.000 2.298 288 K HA 0.303 4.622 4.320 -0.000 0.000 0.280 288 K C 0.686 177.264 176.600 -0.036 0.000 1.032 288 K CA 0.587 56.821 56.287 -0.088 0.000 0.958 288 K CB 0.675 33.140 32.500 -0.058 0.000 0.978 288 K HN 0.811 nan 8.250 nan 0.000 0.472 289 T N -0.635 113.926 114.554 0.010 0.000 3.040 289 T HA 0.124 4.474 4.350 -0.000 0.000 0.266 289 T C 0.546 175.305 174.700 0.098 0.000 1.005 289 T CA -0.457 61.667 62.100 0.041 0.000 0.906 289 T CB -0.019 68.952 68.868 0.173 0.000 1.082 289 T HN 0.351 nan 8.240 nan 0.000 0.531 290 I N 3.343 123.961 120.570 0.080 0.000 2.752 290 I HA 0.157 4.327 4.170 -0.000 0.000 0.289 290 I C 0.317 176.477 176.117 0.071 0.000 1.197 290 I CA 0.466 61.821 61.300 0.092 0.000 1.432 290 I CB -0.735 37.298 38.000 0.055 0.000 1.359 290 I HN 0.523 nan 8.210 nan 0.000 0.571 291 N N 2.598 121.361 118.700 0.106 0.000 2.753 291 N HA -0.255 4.485 4.740 -0.000 0.000 0.251 291 N C -0.357 175.171 175.510 0.031 0.000 1.097 291 N CA 0.392 53.486 53.050 0.075 0.000 0.786 291 N CB -1.342 37.168 38.487 0.038 0.000 1.137 291 N HN 0.481 nan 8.380 nan 0.000 0.566 292 L N 1.293 122.507 121.223 -0.014 0.000 2.490 292 L HA 0.273 4.613 4.340 -0.000 0.000 0.274 292 L C 0.476 177.272 176.870 -0.123 0.000 1.201 292 L CA 0.664 55.404 54.840 -0.165 0.000 0.869 292 L CB 0.746 42.510 42.059 -0.492 0.000 1.123 292 L HN 0.227 nan 8.230 nan 0.000 0.484 293 S N 3.126 118.764 115.700 -0.103 0.000 2.569 293 S HA 0.308 4.778 4.470 -0.000 0.000 0.280 293 S C 0.276 174.716 174.600 -0.267 0.000 1.111 293 S CA -0.369 57.747 58.200 -0.139 0.000 0.887 293 S CB 1.483 64.621 63.200 -0.103 0.000 1.095 293 S HN 0.789 nan 8.310 nan 0.000 0.476 294 Q N 0.949 120.389 119.800 -0.600 0.000 2.119 294 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 294 Q C 2.093 177.907 176.000 -0.310 0.000 0.972 294 Q CA 2.077 57.461 55.803 -0.698 0.000 0.847 294 Q CB -0.642 27.512 28.738 -0.974 0.000 0.903 294 Q HN 0.968 nan 8.270 nan 0.000 0.433 295 E N 1.335 121.392 120.200 -0.239 0.000 2.031 295 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 295 E C 1.550 178.080 176.600 -0.116 0.000 0.994 295 E CA 1.632 57.943 56.400 -0.150 0.000 0.800 295 E CB -0.794 28.834 29.700 -0.118 0.000 0.752 295 E HN 0.536 nan 8.360 nan 0.000 0.447 296 N N 0.457 119.092 118.700 -0.109 0.000 2.207 296 N HA -0.014 4.725 4.740 -0.000 0.000 0.182 296 N C 0.306 175.769 175.510 -0.078 0.000 1.020 296 N CA 1.195 54.194 53.050 -0.084 0.000 0.858 296 N CB 0.214 38.658 38.487 -0.072 0.000 0.991 296 N HN 0.487 nan 8.380 nan 0.000 0.427 297 E N 0.453 120.605 120.200 -0.080 0.000 3.406 297 E HA 0.181 4.530 4.350 -0.000 0.000 0.210 297 E C -1.834 174.744 176.600 -0.038 0.000 1.167 297 E CA -1.413 54.953 56.400 -0.058 0.000 1.132 297 E CB 1.394 31.061 29.700 -0.054 0.000 1.309 297 E HN 0.197 nan 8.360 nan 0.000 0.424 298 P HA -0.193 nan 4.420 nan 0.000 0.218 298 P C 0.274 177.563 177.300 -0.019 0.000 1.148 298 P CA 1.205 64.281 63.100 -0.039 0.000 0.822 298 P CB 0.498 32.161 31.700 -0.062 0.000 0.784 299 D N 0.080 120.458 120.400 -0.036 0.000 2.103 299 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 299 D C 2.285 178.538 176.300 -0.078 0.000 0.978 299 D CA 0.955 54.924 54.000 -0.051 0.000 0.829 299 D CB -0.376 40.400 40.800 -0.041 0.000 0.981 299 D HN 0.248 nan 8.370 nan 0.000 0.464 300 I N 0.138 120.684 120.570 -0.041 0.000 2.202 300 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 300 I C 2.507 178.561 176.117 -0.104 0.000 1.091 300 I CA 0.852 62.127 61.300 -0.042 0.000 1.368 300 I CB -0.290 37.718 38.000 0.014 0.000 1.058 300 I HN -0.050 nan 8.210 nan 0.000 0.410 301 Y N 1.821 122.014 120.300 -0.179 0.000 2.145 301 Y HA -0.186 4.363 4.550 -0.001 0.000 0.286 301 Y C 2.465 178.272 175.900 -0.155 0.000 1.145 301 Y CA 1.711 59.694 58.100 -0.194 0.000 1.148 301 Y CB -0.719 37.628 38.460 -0.189 0.000 0.981 301 Y HN 0.093 nan 8.280 nan 0.000 0.507 302 G N -0.666 108.166 108.800 0.053 0.000 2.470 302 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.220 302 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.220 302 G C 1.650 176.437 174.900 -0.189 0.000 1.121 302 G CA 0.716 45.797 45.100 -0.032 0.000 0.766 302 G HN 0.566 nan 8.290 nan 0.000 0.553 303 A N 0.083 122.717 122.820 -0.309 0.000 2.167 303 A HA 0.355 4.675 4.320 -0.000 0.000 0.214 303 A C 1.156 178.559 177.584 -0.301 0.000 1.151 303 A CA -0.101 51.647 52.037 -0.482 0.000 0.735 303 A CB -0.092 18.182 19.000 -1.210 0.000 0.802 303 A HN 0.333 nan 8.150 nan 0.000 0.467 304 I N 2.278 122.699 120.570 -0.248 0.000 2.311 304 I HA 0.225 4.395 4.170 -0.000 0.000 0.297 304 I C 0.566 176.620 176.117 -0.105 0.000 1.131 304 I CA -0.037 61.187 61.300 -0.126 0.000 1.289 304 I CB -0.343 37.556 38.000 -0.168 0.000 1.446 304 I HN 0.468 nan 8.210 nan 0.000 0.524 305 R N 3.501 123.984 120.500 -0.028 0.000 2.829 305 R HA 0.556 4.896 4.340 -0.000 0.000 0.267 305 R C -0.668 175.657 176.300 0.042 0.000 1.051 305 R CA -1.321 54.751 56.100 -0.046 0.000 0.927 305 R CB 0.651 30.860 30.300 -0.151 0.000 1.292 305 R HN 0.155 nan 8.270 nan 0.000 0.445 306 R N 0.793 121.291 120.500 -0.005 0.000 2.523 306 R HA -0.026 4.314 4.340 -0.000 0.000 0.281 306 R C -0.636 175.725 176.300 0.101 0.000 0.969 306 R CA 2.001 58.108 56.100 0.011 0.000 1.093 306 R CB -0.486 29.752 30.300 -0.104 0.000 0.917 306 R HN 0.813 nan 8.270 nan 0.000 0.408 307 D N 0.038 120.526 120.400 0.148 0.000 2.277 307 D HA -0.149 4.491 4.640 -0.000 0.000 0.167 307 D C -0.480 175.942 176.300 0.205 0.000 0.974 307 D CA 1.588 55.650 54.000 0.103 0.000 1.013 307 D CB -1.542 39.064 40.800 -0.324 0.000 1.086 307 D HN 0.664 nan 8.370 nan 0.000 0.498 308 A N 0.057 122.993 122.820 0.194 0.000 2.313 308 A HA 0.617 4.937 4.320 -0.000 0.000 0.261 308 A C -0.177 177.470 177.584 0.105 0.000 1.090 308 A CA -0.090 52.026 52.037 0.131 0.000 0.807 308 A CB 0.726 19.834 19.000 0.180 0.000 1.055 308 A HN 0.242 nan 8.150 nan 0.000 0.492 309 L N 1.335 122.549 121.223 -0.015 0.000 2.406 309 L HA 0.532 4.871 4.340 -0.000 0.000 0.270 309 L C -1.028 175.836 176.870 -0.010 0.000 0.982 309 L CA -0.077 54.713 54.840 -0.083 0.000 0.843 309 L CB 1.051 42.899 42.059 -0.351 0.000 1.225 309 L HN 0.630 nan 8.230 nan 0.000 0.412 310 L N 3.845 125.070 121.223 0.003 0.000 2.395 310 L HA 0.510 4.849 4.340 -0.000 0.000 0.269 310 L C 0.105 176.940 176.870 -0.059 0.000 1.133 310 L CA -0.044 54.805 54.840 0.016 0.000 0.812 310 L CB 1.156 43.226 42.059 0.018 0.000 1.125 310 L HN 0.627 nan 8.230 nan 0.000 0.452 311 E N 2.912 123.102 120.200 -0.017 0.000 2.241 311 E HA 0.196 4.545 4.350 -0.000 0.000 0.263 311 E C -0.633 175.960 176.600 -0.012 0.000 0.882 311 E CA -0.500 55.864 56.400 -0.060 0.000 0.769 311 E CB 0.757 30.472 29.700 0.026 0.000 1.185 311 E HN 0.648 nan 8.360 nan 0.000 0.415 312 N N 0.873 119.544 118.700 -0.048 0.000 2.753 312 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 312 N C 0.134 175.632 175.510 -0.020 0.000 1.097 312 N CA 1.232 54.270 53.050 -0.020 0.000 0.786 312 N CB -1.843 36.656 38.487 0.019 0.000 1.137 312 N HN 0.404 nan 8.380 nan 0.000 0.566 313 V N -2.521 117.368 119.914 -0.041 0.000 2.953 313 V HA 0.529 4.649 4.120 -0.000 0.000 0.304 313 V C 1.107 177.144 176.094 -0.096 0.000 1.073 313 V CA -0.716 61.540 62.300 -0.073 0.000 1.064 313 V CB 1.725 33.461 31.823 -0.145 0.000 1.047 313 V HN -0.063 nan 8.190 nan 0.000 0.478 314 V N 3.646 123.493 119.914 -0.112 0.000 2.432 314 V HA 0.351 4.471 4.120 -0.000 0.000 0.275 314 V C 0.143 176.159 176.094 -0.130 0.000 1.043 314 V CA -0.257 61.987 62.300 -0.094 0.000 0.925 314 V CB 1.249 33.032 31.823 -0.067 0.000 0.985 314 V HN 0.760 nan 8.190 nan 0.000 0.466 315 V N 6.641 126.496 119.914 -0.099 0.000 2.398 315 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 315 V C 0.545 176.599 176.094 -0.066 0.000 1.026 315 V CA -0.843 61.398 62.300 -0.098 0.000 0.868 315 V CB 1.387 33.163 31.823 -0.078 0.000 0.982 315 V HN 0.829 nan 8.190 nan 0.000 0.443 316 R N 2.899 123.361 120.500 -0.063 0.000 2.738 316 R HA 0.396 4.736 4.340 -0.000 0.000 0.275 316 R C 1.586 177.868 176.300 -0.029 0.000 1.121 316 R CA 0.092 56.168 56.100 -0.040 0.000 1.207 316 R CB 0.332 30.611 30.300 -0.034 0.000 1.141 316 R HN 0.789 nan 8.270 nan 0.000 0.571 317 A N 1.332 124.140 122.820 -0.021 0.000 2.024 317 A HA -0.194 4.125 4.320 -0.000 0.000 0.220 317 A C 1.340 178.917 177.584 -0.011 0.000 1.164 317 A CA 1.990 54.018 52.037 -0.015 0.000 0.643 317 A CB -0.524 18.469 19.000 -0.011 0.000 0.806 317 A HN 0.849 nan 8.150 nan 0.000 0.451 318 D N -2.350 118.044 120.400 -0.011 0.000 2.340 318 D HA 0.264 4.904 4.640 -0.000 0.000 0.220 318 D C 1.167 177.464 176.300 -0.005 0.000 1.039 318 D CA 0.952 54.949 54.000 -0.005 0.000 0.866 318 D CB -0.522 40.277 40.800 -0.002 0.000 0.913 318 D HN 0.781 nan 8.370 nan 0.000 0.523 319 G N 0.266 109.058 108.800 -0.014 0.000 2.175 319 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 319 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 319 G C 0.435 175.317 174.900 -0.030 0.000 0.982 319 G CA 0.417 45.507 45.100 -0.016 0.000 0.641 319 G HN 0.799 nan 8.290 nan 0.000 0.527 320 S N -0.739 114.942 115.700 -0.032 0.000 2.614 320 S HA 0.691 5.161 4.470 -0.000 0.000 0.265 320 S C 0.179 174.715 174.600 -0.106 0.000 1.303 320 S CA -0.158 58.016 58.200 -0.043 0.000 1.000 320 S CB 2.395 65.586 63.200 -0.014 0.000 0.935 320 S HN 1.022 nan 8.310 nan 0.000 0.551 321 V N 1.976 121.783 119.914 -0.178 0.000 2.394 321 V HA 0.320 4.439 4.120 -0.000 0.000 0.282 321 V C -0.161 175.713 176.094 -0.366 0.000 1.031 321 V CA -0.651 61.416 62.300 -0.388 0.000 0.881 321 V CB 1.287 32.625 31.823 -0.809 0.000 0.982 321 V HN 0.977 nan 8.190 nan 0.000 0.451 322 D N 3.836 124.075 120.400 -0.270 0.000 2.468 322 D HA 0.234 4.873 4.640 -0.000 0.000 0.218 322 D C 0.646 176.866 176.300 -0.134 0.000 1.155 322 D CA -0.349 53.575 54.000 -0.126 0.000 0.924 322 D CB 0.492 41.255 40.800 -0.061 0.000 1.029 322 D HN 0.375 nan 8.370 nan 0.000 0.515 323 F N 1.024 120.996 119.950 0.037 0.000 2.408 323 F HA -0.063 4.464 4.527 -0.001 0.000 0.300 323 F C 1.828 177.644 175.800 0.026 0.000 1.090 323 F CA 0.618 58.640 58.000 0.036 0.000 1.427 323 F CB 0.169 39.208 39.000 0.065 0.000 1.070 323 F HN 0.309 nan 8.300 nan 0.000 0.549 324 D N -0.972 119.529 120.400 0.169 0.000 2.349 324 D HA -0.064 4.575 4.640 -0.000 0.000 0.215 324 D C 0.419 176.756 176.300 0.061 0.000 1.016 324 D CA 0.489 54.552 54.000 0.105 0.000 0.870 324 D CB -0.195 40.652 40.800 0.079 0.000 0.917 324 D HN 0.142 nan 8.370 nan 0.000 0.524 325 D N 0.418 120.842 120.400 0.039 0.000 2.352 325 D HA 0.176 4.816 4.640 -0.000 0.000 0.245 325 D C 0.932 177.241 176.300 0.015 0.000 1.224 325 D CA -0.152 53.857 54.000 0.015 0.000 0.879 325 D CB 0.945 41.740 40.800 -0.009 0.000 1.057 325 D HN 0.028 nan 8.370 nan 0.000 0.491 326 G N 2.306 111.116 108.800 0.017 0.000 3.523 326 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.270 326 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.270 326 G C 1.362 176.264 174.900 0.003 0.000 1.134 326 G CA -0.237 44.871 45.100 0.014 0.000 0.825 326 G HN 0.411 nan 8.290 nan 0.000 0.534 327 S N 0.720 116.419 115.700 -0.002 0.000 2.374 327 S HA -0.139 4.330 4.470 -0.000 0.000 0.227 327 S C 2.324 176.919 174.600 -0.010 0.000 1.037 327 S CA 1.307 59.503 58.200 -0.006 0.000 1.024 327 S CB -0.045 63.150 63.200 -0.008 0.000 0.861 327 S HN 0.502 nan 8.310 nan 0.000 0.456 328 K N -0.283 120.111 120.400 -0.009 0.000 2.062 328 K HA 0.072 4.392 4.320 -0.000 0.000 0.205 328 K C 0.859 177.451 176.600 -0.015 0.000 1.051 328 K CA 0.984 57.264 56.287 -0.012 0.000 0.941 328 K CB 0.080 32.574 32.500 -0.010 0.000 0.719 328 K HN 0.295 nan 8.250 nan 0.000 0.440 329 T N -1.350 113.201 114.554 -0.006 0.000 2.843 329 T HA 0.048 4.398 4.350 -0.000 0.000 0.337 329 T C -0.811 173.893 174.700 0.007 0.000 1.754 329 T CA -0.689 61.408 62.100 -0.005 0.000 1.052 329 T CB 1.345 70.210 68.868 -0.004 0.000 1.588 329 T HN -0.060 nan 8.240 nan 0.000 0.493 330 E N 1.462 121.665 120.200 0.005 0.000 2.371 330 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 330 E C 0.800 177.411 176.600 0.019 0.000 1.012 330 E CA 0.402 56.810 56.400 0.014 0.000 0.860 330 E CB 0.031 29.736 29.700 0.008 0.000 0.811 330 E HN 0.498 nan 8.360 nan 0.000 0.502 331 N N 1.816 120.526 118.700 0.016 0.000 2.843 331 N HA -0.038 4.701 4.740 -0.000 0.000 0.284 331 N C -0.785 174.755 175.510 0.050 0.000 1.274 331 N CA -0.012 53.053 53.050 0.026 0.000 1.045 331 N CB -0.203 38.294 38.487 0.016 0.000 1.370 331 N HN -0.077 nan 8.380 nan 0.000 0.525 332 T N -1.373 113.209 114.554 0.047 0.000 2.926 332 T HA 0.362 4.711 4.350 -0.000 0.000 0.307 332 T C 0.335 175.056 174.700 0.035 0.000 1.059 332 T CA -0.406 61.731 62.100 0.061 0.000 1.122 332 T CB 1.290 70.208 68.868 0.084 0.000 0.972 332 T HN 0.091 nan 8.240 nan 0.000 0.545 333 R N 0.598 121.120 120.500 0.036 0.000 2.831 333 R HA 0.823 5.163 4.340 -0.000 0.000 0.266 333 R C -1.552 174.787 176.300 0.065 0.000 1.051 333 R CA -0.951 55.123 56.100 -0.043 0.000 0.943 333 R CB 2.073 32.233 30.300 -0.234 0.000 1.228 333 R HN 0.583 nan 8.270 nan 0.000 0.467 334 V N 0.816 120.768 119.914 0.063 0.000 2.891 334 V HA 0.469 4.589 4.120 -0.000 0.000 0.304 334 V C -1.119 175.037 176.094 0.103 0.000 1.171 334 V CA -0.362 62.019 62.300 0.136 0.000 0.943 334 V CB 2.221 34.156 31.823 0.186 0.000 1.037 334 V HN 0.963 nan 8.190 nan 0.000 0.427 335 S N 6.017 121.751 115.700 0.057 0.000 2.568 335 S HA 0.977 5.447 4.470 -0.000 0.000 0.302 335 S C -1.112 173.372 174.600 -0.192 0.000 1.082 335 S CA -0.528 57.550 58.200 -0.203 0.000 1.009 335 S CB 1.914 64.901 63.200 -0.354 0.000 1.069 335 S HN 1.539 nan 8.310 nan 0.000 0.500 336 Y N -2.116 118.039 120.300 -0.243 0.000 2.592 336 Y HA 0.716 5.265 4.550 -0.001 0.000 0.334 336 Y C -3.345 172.280 175.900 -0.458 0.000 1.136 336 Y CA -2.729 55.138 58.100 -0.390 0.000 1.042 336 Y CB 0.273 38.509 38.460 -0.373 0.000 1.325 336 Y HN 0.498 nan 8.280 nan 0.000 0.457 337 P HA 0.113 nan 4.420 nan 0.000 0.269 337 P C 0.853 177.890 177.300 -0.439 0.000 1.209 337 P CA -0.073 62.732 63.100 -0.491 0.000 0.776 337 P CB 1.862 33.082 31.700 -0.800 0.000 0.876 338 I N 2.710 123.135 120.570 -0.241 0.000 2.423 338 I HA -0.294 3.876 4.170 -0.000 0.000 0.254 338 I C 1.767 177.892 176.117 0.014 0.000 1.151 338 I CA 1.237 62.508 61.300 -0.049 0.000 1.421 338 I CB -0.305 37.699 38.000 0.007 0.000 1.079 338 I HN 0.346 nan 8.210 nan 0.000 0.431 339 Y N -1.750 118.620 120.300 0.118 0.000 2.680 339 Y HA -0.089 4.461 4.550 -0.000 0.000 0.303 339 Y C 1.932 177.926 175.900 0.157 0.000 1.166 339 Y CA 0.553 58.723 58.100 0.116 0.000 1.344 339 Y CB -1.999 36.520 38.460 0.099 0.000 1.002 339 Y HN 0.268 nan 8.280 nan 0.000 0.537 340 H N 0.118 119.115 119.070 -0.122 0.000 2.556 340 H HA 0.127 4.683 4.556 -0.001 0.000 0.268 340 H C -0.105 175.125 175.328 -0.162 0.000 0.996 340 H CA -0.157 55.795 56.048 -0.159 0.000 1.157 340 H CB 0.435 29.981 29.762 -0.360 0.000 1.355 340 H HN 0.189 nan 8.280 nan 0.000 0.597 341 I N 1.231 121.832 120.570 0.051 0.000 2.377 341 I HA -0.013 4.157 4.170 -0.000 0.000 0.293 341 I C 0.602 176.743 176.117 0.041 0.000 0.987 341 I CA -0.410 60.900 61.300 0.016 0.000 1.185 341 I CB 1.733 39.766 38.000 0.056 0.000 1.341 341 I HN 0.087 nan 8.210 nan 0.000 0.455 342 D N 3.260 123.666 120.400 0.010 0.000 2.103 342 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 342 D C 1.013 177.326 176.300 0.021 0.000 0.978 342 D CA 1.478 55.489 54.000 0.017 0.000 0.829 342 D CB 0.057 40.854 40.800 -0.005 0.000 0.981 342 D HN 0.420 nan 8.370 nan 0.000 0.464 343 N N 0.898 119.602 118.700 0.007 0.000 3.103 343 N HA 0.100 4.840 4.740 -0.000 0.000 0.305 343 N C -0.549 174.968 175.510 0.012 0.000 1.232 343 N CA -0.066 52.986 53.050 0.003 0.000 1.190 343 N CB -0.797 37.683 38.487 -0.013 0.000 1.461 343 N HN 0.233 nan 8.380 nan 0.000 0.538 344 I N -2.238 118.349 120.570 0.029 0.000 2.934 344 I HA 0.563 4.733 4.170 -0.000 0.000 0.306 344 I C -0.482 175.660 176.117 0.042 0.000 1.110 344 I CA -1.368 59.956 61.300 0.040 0.000 1.019 344 I CB 1.627 39.666 38.000 0.065 0.000 1.227 344 I HN -0.304 nan 8.210 nan 0.000 0.434 345 V N 3.762 123.703 119.914 0.044 0.000 2.555 345 V HA 0.454 4.574 4.120 -0.000 0.000 0.286 345 V C 0.235 176.364 176.094 0.060 0.000 1.044 345 V CA -0.128 62.199 62.300 0.044 0.000 1.026 345 V CB 0.446 32.295 31.823 0.044 0.000 0.981 345 V HN 0.650 nan 8.190 nan 0.000 0.480 346 R N 4.618 125.150 120.500 0.053 0.000 2.808 346 R HA 0.529 4.869 4.340 -0.000 0.000 0.272 346 R C -1.647 174.682 176.300 0.048 0.000 0.995 346 R CA -1.972 54.164 56.100 0.059 0.000 0.917 346 R CB 0.856 31.190 30.300 0.056 0.000 1.217 346 R HN 0.503 nan 8.270 nan 0.000 0.471 347 P HA 0.105 nan 4.420 nan 0.000 0.231 347 P C -0.206 177.141 177.300 0.078 0.000 1.168 347 P CA 0.416 63.552 63.100 0.059 0.000 0.779 347 P CB 0.700 32.428 31.700 0.048 0.000 0.844 348 V N 0.459 120.418 119.914 0.075 0.000 2.555 348 V HA 0.197 4.317 4.120 -0.000 0.000 0.302 348 V C 0.378 176.529 176.094 0.096 0.000 1.038 348 V CA -0.519 61.834 62.300 0.089 0.000 0.887 348 V CB 1.905 33.772 31.823 0.074 0.000 0.991 348 V HN -0.094 nan 8.190 nan 0.000 0.434 349 S N 5.244 121.014 115.700 0.116 0.000 4.120 349 S HA 0.271 4.740 4.470 -0.000 0.000 0.215 349 S C -0.038 174.654 174.600 0.154 0.000 1.347 349 S CA -0.315 57.958 58.200 0.121 0.000 0.889 349 S CB -0.819 62.451 63.200 0.116 0.000 1.585 349 S HN 0.794 nan 8.310 nan 0.000 0.447 350 K N -0.472 120.005 120.400 0.128 0.000 2.579 350 K HA 0.859 5.179 4.320 -0.000 0.000 0.284 350 K C -1.090 175.555 176.600 0.075 0.000 0.990 350 K CA -1.140 55.235 56.287 0.146 0.000 0.880 350 K CB 1.292 33.900 32.500 0.180 0.000 1.488 350 K HN 0.190 nan 8.250 nan 0.000 0.425 351 A N 0.623 123.468 122.820 0.042 0.000 2.534 351 A HA 0.814 5.134 4.320 -0.000 0.000 0.300 351 A C -0.271 177.284 177.584 -0.048 0.000 1.223 351 A CA -0.443 51.591 52.037 -0.006 0.000 0.666 351 A CB 0.627 19.609 19.000 -0.031 0.000 1.316 351 A HN 0.900 nan 8.150 nan 0.000 0.468 352 G N -1.091 107.676 108.800 -0.055 0.000 2.525 352 G HA2 0.460 4.420 3.960 -0.000 0.000 0.276 352 G HA3 0.460 4.420 3.960 -0.000 0.000 0.276 352 G C -0.178 174.616 174.900 -0.177 0.000 1.388 352 G CA -0.377 44.679 45.100 -0.074 0.000 1.050 352 G HN 0.678 nan 8.290 nan 0.000 0.520 353 H N -0.258 118.840 119.070 0.045 0.000 2.815 353 H HA 0.300 4.856 4.556 -0.000 0.000 0.350 353 H C 0.886 176.126 175.328 -0.147 0.000 1.080 353 H CA 0.399 56.480 56.048 0.054 0.000 1.433 353 H CB 0.786 30.752 29.762 0.340 0.000 1.432 353 H HN 0.560 nan 8.280 nan 0.000 0.592 354 A N 2.332 124.872 122.820 -0.467 0.000 2.425 354 A HA 0.176 4.496 4.320 -0.000 0.000 0.249 354 A C 1.176 178.738 177.584 -0.036 0.000 1.084 354 A CA 0.158 51.940 52.037 -0.425 0.000 0.781 354 A CB 0.111 18.593 19.000 -0.863 0.000 1.019 354 A HN 0.868 nan 8.150 nan 0.000 0.490 355 T N -1.446 113.095 114.554 -0.021 0.000 3.003 355 T HA 0.287 4.637 4.350 -0.000 0.000 0.261 355 T C 0.250 174.973 174.700 0.038 0.000 1.003 355 T CA -0.074 62.059 62.100 0.055 0.000 0.917 355 T CB 0.152 69.048 68.868 0.047 0.000 1.084 355 T HN 0.503 nan 8.240 nan 0.000 0.522 356 K N 1.551 121.938 120.400 -0.022 0.000 2.482 356 K HA 0.688 5.008 4.320 -0.000 0.000 0.251 356 K C -1.640 174.905 176.600 -0.091 0.000 0.936 356 K CA -0.593 55.689 56.287 -0.009 0.000 0.791 356 K CB 3.126 35.590 32.500 -0.059 0.000 1.213 356 K HN 0.006 nan 8.250 nan 0.000 0.428 357 V N 4.406 124.293 119.914 -0.045 0.000 2.483 357 V HA 0.506 4.626 4.120 -0.000 0.000 0.297 357 V C -0.279 175.751 176.094 -0.108 0.000 1.027 357 V CA -0.785 61.471 62.300 -0.074 0.000 0.855 357 V CB 1.619 33.412 31.823 -0.049 0.000 0.995 357 V HN 0.612 nan 8.190 nan 0.000 0.424 358 I N 5.157 125.664 120.570 -0.104 0.000 2.389 358 I HA 0.471 4.641 4.170 -0.000 0.000 0.288 358 I C -1.130 175.176 176.117 0.314 0.000 0.999 358 I CA -0.390 60.902 61.300 -0.013 0.000 1.129 358 I CB 1.728 39.596 38.000 -0.221 0.000 1.288 358 I HN 0.364 nan 8.210 nan 0.000 0.444 359 F N 6.662 126.700 119.950 0.147 0.000 2.361 359 F HA 0.476 5.003 4.527 -0.000 0.000 0.364 359 F C 0.149 176.060 175.800 0.184 0.000 1.120 359 F CA -1.011 57.077 58.000 0.146 0.000 1.102 359 F CB 0.814 40.004 39.000 0.318 0.000 1.183 359 F HN 0.159 nan 8.300 nan 0.000 0.476 360 L N 2.287 123.698 121.223 0.313 0.000 2.379 360 L HA 0.703 5.043 4.340 -0.000 0.000 0.269 360 L C 0.457 177.514 176.870 0.312 0.000 1.084 360 L CA -0.391 54.607 54.840 0.264 0.000 0.802 360 L CB 1.851 44.020 42.059 0.184 0.000 1.175 360 L HN 0.544 nan 8.230 nan 0.000 0.448 361 T N 0.929 115.643 114.554 0.266 0.000 2.982 361 T HA 0.625 4.974 4.350 -0.000 0.000 0.321 361 T C -1.446 173.365 174.700 0.185 0.000 1.229 361 T CA -0.443 61.808 62.100 0.252 0.000 1.044 361 T CB 1.518 70.635 68.868 0.414 0.000 1.184 361 T HN 0.658 nan 8.240 nan 0.000 0.477 362 A N 3.322 126.219 122.820 0.128 0.000 2.540 362 A HA 0.506 4.826 4.320 -0.000 0.000 0.340 362 A C -0.209 177.585 177.584 0.351 0.000 1.424 362 A CA -0.493 51.656 52.037 0.186 0.000 0.940 362 A CB 0.039 19.132 19.000 0.154 0.000 1.149 362 A HN 0.727 nan 8.150 nan 0.000 0.505 363 D N 3.145 123.815 120.400 0.451 0.000 2.402 363 D HA 0.385 5.025 4.640 -0.000 0.000 0.235 363 D C 1.162 177.840 176.300 0.629 0.000 1.226 363 D CA 0.470 54.824 54.000 0.590 0.000 0.918 363 D CB 0.863 42.020 40.800 0.595 0.000 1.043 363 D HN 0.433 nan 8.370 nan 0.000 0.506 364 A N 3.413 126.450 122.820 0.361 0.000 2.172 364 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 364 A C 1.439 178.892 177.584 -0.219 0.000 1.154 364 A CA 0.478 52.343 52.037 -0.287 0.000 0.701 364 A CB -0.557 18.008 19.000 -0.725 0.000 0.789 364 A HN 0.581 nan 8.150 nan 0.000 0.465 365 F N -0.399 119.635 119.950 0.139 0.000 2.710 365 F HA 0.264 4.792 4.527 0.000 0.000 0.298 365 F C 1.893 177.816 175.800 0.204 0.000 1.137 365 F CA 0.541 58.623 58.000 0.137 0.000 1.444 365 F CB -0.272 38.829 39.000 0.169 0.000 1.111 365 F HN 0.331 nan 8.300 nan 0.000 0.580 366 G N 0.585 109.642 108.800 0.428 0.000 2.273 366 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.280 366 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.280 366 G C 0.756 175.967 174.900 0.519 0.000 1.047 366 G CA 0.502 45.863 45.100 0.436 0.000 0.869 366 G HN 0.290 nan 8.290 nan 0.000 0.502 367 V N -0.450 119.720 119.914 0.428 0.000 2.908 367 V HA 0.301 4.421 4.120 -0.000 0.000 0.240 367 V C 1.743 178.058 176.094 0.367 0.000 1.117 367 V CA 0.857 63.382 62.300 0.374 0.000 1.133 367 V CB 0.000 31.860 31.823 0.061 0.000 0.857 367 V HN 0.402 nan 8.190 nan 0.000 0.478 368 L N 1.858 123.189 121.223 0.179 0.000 2.417 368 L HA 0.272 4.611 4.340 -0.000 0.000 0.268 368 L C -2.286 174.657 176.870 0.121 0.000 1.158 368 L CA -1.550 53.321 54.840 0.052 0.000 0.819 368 L CB 0.058 42.143 42.059 0.043 0.000 1.112 368 L HN 0.090 nan 8.230 nan 0.000 0.458 369 P HA 0.101 nan 4.420 nan 0.000 0.272 369 P C -2.128 175.209 177.300 0.063 0.000 1.223 369 P CA -1.130 62.000 63.100 0.050 0.000 0.784 369 P CB 0.210 31.917 31.700 0.011 0.000 0.923 370 P HA -0.107 nan 4.420 nan 0.000 0.218 370 P C 0.068 177.398 177.300 0.049 0.000 1.148 370 P CA 1.404 64.534 63.100 0.049 0.000 0.822 370 P CB 0.308 32.023 31.700 0.025 0.000 0.784 371 V N -1.871 118.068 119.914 0.042 0.000 2.891 371 V HA 0.461 4.581 4.120 -0.000 0.000 0.304 371 V C -1.482 174.651 176.094 0.064 0.000 1.171 371 V CA -0.499 61.836 62.300 0.058 0.000 0.943 371 V CB 2.358 34.201 31.823 0.032 0.000 1.037 371 V HN -0.223 nan 8.190 nan 0.000 0.427 372 S N 5.359 121.111 115.700 0.087 0.000 2.536 372 S HA 0.548 5.017 4.470 -0.000 0.000 0.287 372 S C -1.028 173.622 174.600 0.083 0.000 1.101 372 S CA -0.726 57.509 58.200 0.058 0.000 0.950 372 S CB 1.883 65.077 63.200 -0.010 0.000 1.056 372 S HN 0.812 nan 8.310 nan 0.000 0.481 373 K N 3.241 123.664 120.400 0.038 0.000 2.248 373 K HA 0.441 4.761 4.320 -0.000 0.000 0.281 373 K C -0.894 175.612 176.600 -0.157 0.000 1.054 373 K CA -0.423 55.786 56.287 -0.131 0.000 0.903 373 K CB 0.284 32.736 32.500 -0.081 0.000 1.077 373 K HN 0.562 nan 8.250 nan 0.000 0.474 374 L N 3.463 124.548 121.223 -0.230 0.000 2.399 374 L HA 0.259 4.599 4.340 -0.000 0.000 0.266 374 L C 0.969 177.775 176.870 -0.107 0.000 1.114 374 L CA -0.760 54.010 54.840 -0.116 0.000 0.804 374 L CB 1.292 43.304 42.059 -0.080 0.000 1.146 374 L HN 0.782 nan 8.230 nan 0.000 0.451 375 T N -1.566 112.970 114.554 -0.030 0.000 2.816 375 T HA 0.243 4.593 4.350 -0.000 0.000 0.282 375 T C -1.984 172.707 174.700 -0.015 0.000 0.993 375 T CA -1.658 60.423 62.100 -0.030 0.000 0.994 375 T CB 1.290 70.153 68.868 -0.007 0.000 1.025 375 T HN 0.327 nan 8.240 nan 0.000 0.529 376 P HA -0.040 nan 4.420 nan 0.000 0.215 376 P C 1.234 178.554 177.300 0.034 0.000 1.153 376 P CA 0.990 64.082 63.100 -0.013 0.000 0.853 376 P CB 0.043 31.728 31.700 -0.025 0.000 0.788 377 E N -0.455 119.767 120.200 0.036 0.000 2.072 377 E HA -0.175 4.174 4.350 -0.000 0.000 0.191 377 E C 2.146 178.820 176.600 0.124 0.000 0.985 377 E CA 1.151 57.587 56.400 0.061 0.000 0.801 377 E CB -0.822 28.892 29.700 0.024 0.000 0.750 377 E HN 0.373 nan 8.360 nan 0.000 0.452 378 Q N -0.185 119.698 119.800 0.138 0.000 2.167 378 Q HA -0.094 4.245 4.340 -0.000 0.000 0.202 378 Q C 1.993 178.252 176.000 0.431 0.000 0.970 378 Q CA 1.563 57.538 55.803 0.286 0.000 0.855 378 Q CB -0.079 28.830 28.738 0.285 0.000 0.911 378 Q HN 0.269 nan 8.270 nan 0.000 0.438 379 T N 1.104 115.818 114.554 0.266 0.000 2.746 379 T HA -0.162 4.187 4.350 -0.000 0.000 0.267 379 T C 1.478 176.436 174.700 0.430 0.000 1.039 379 T CA 1.281 63.560 62.100 0.298 0.000 1.142 379 T CB -0.117 68.780 68.868 0.049 0.000 0.866 379 T HN 0.340 nan 8.240 nan 0.000 0.444 380 E N -0.215 120.155 120.200 0.282 0.000 2.106 380 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 380 E C 1.944 178.728 176.600 0.306 0.000 0.984 380 E CA 0.840 57.410 56.400 0.284 0.000 0.806 380 E CB -0.220 29.589 29.700 0.182 0.000 0.750 380 E HN 0.577 nan 8.360 nan 0.000 0.458 381 Y N 0.325 120.708 120.300 0.139 0.000 2.145 381 Y HA -0.288 4.262 4.550 -0.000 0.000 0.286 381 Y C 1.767 177.661 175.900 -0.009 0.000 1.145 381 Y CA 1.687 59.763 58.100 -0.039 0.000 1.148 381 Y CB -0.249 37.996 38.460 -0.359 0.000 0.981 381 Y HN 0.018 nan 8.280 nan 0.000 0.507 382 Y N -1.856 118.723 120.300 0.464 0.000 2.516 382 Y HA -0.131 4.418 4.550 -0.001 0.000 0.291 382 Y C 2.053 178.113 175.900 0.266 0.000 1.131 382 Y CA 0.999 59.383 58.100 0.473 0.000 1.281 382 Y CB -0.620 38.229 38.460 0.647 0.000 1.013 382 Y HN 0.246 nan 8.280 nan 0.000 0.554 383 F N -0.377 119.677 119.950 0.172 0.000 2.163 383 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 383 F C 1.742 177.385 175.800 -0.261 0.000 1.094 383 F CA 1.138 59.043 58.000 -0.159 0.000 1.290 383 F CB -0.506 38.511 39.000 0.029 0.000 1.017 383 F HN -0.065 nan 8.300 nan 0.000 0.483 384 L N -0.435 120.699 121.223 -0.148 0.000 2.141 384 L HA -0.135 4.204 4.340 -0.000 0.000 0.209 384 L C 2.489 179.177 176.870 -0.302 0.000 1.094 384 L CA 1.480 56.076 54.840 -0.407 0.000 0.763 384 L CB -1.102 40.685 42.059 -0.454 0.000 0.908 384 L HN 0.027 nan 8.230 nan 0.000 0.437 385 S N -0.547 115.084 115.700 -0.115 0.000 2.371 385 S HA 0.028 4.497 4.470 -0.000 0.000 0.224 385 S C 1.400 176.042 174.600 0.071 0.000 1.029 385 S CA 0.743 59.023 58.200 0.134 0.000 0.978 385 S CB -0.618 62.837 63.200 0.425 0.000 0.833 385 S HN 0.551 nan 8.310 nan 0.000 0.466 386 G N 2.099 110.686 108.800 -0.354 0.000 2.386 386 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.295 386 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.295 386 G C -0.193 174.566 174.900 -0.234 0.000 0.979 386 G CA 0.303 44.861 45.100 -0.904 0.000 1.193 386 G HN 0.447 nan 8.290 nan 0.000 0.508 387 F N 0.993 120.892 119.950 -0.086 0.000 2.379 387 F HA 0.784 5.311 4.527 -0.000 0.000 0.332 387 F C 0.395 176.181 175.800 -0.023 0.000 1.096 387 F CA 0.257 58.143 58.000 -0.191 0.000 1.105 387 F CB 2.231 41.111 39.000 -0.200 0.000 1.189 387 F HN 0.260 nan 8.300 nan 0.000 0.515 388 T N 3.255 116.960 114.554 -1.415 0.000 2.749 388 T HA 0.762 5.112 4.350 -0.000 0.000 0.310 388 T C -1.796 172.238 174.700 -1.110 0.000 1.496 388 T CA -0.096 61.331 62.100 -1.123 0.000 1.006 388 T CB 1.041 69.711 68.868 -0.329 0.000 1.457 388 T HN 1.159 nan 8.240 nan 0.000 0.497 389 A N 1.720 124.235 122.820 -0.508 0.000 2.593 389 A HA 0.952 5.271 4.320 -0.000 0.000 0.290 389 A C -1.474 176.068 177.584 -0.070 0.000 1.126 389 A CA -0.804 51.107 52.037 -0.210 0.000 0.695 389 A CB 1.701 20.729 19.000 0.046 0.000 1.290 389 A HN 1.043 nan 8.150 nan 0.000 0.414 390 K N 0.118 120.437 120.400 -0.135 0.000 2.495 390 K HA 0.804 5.124 4.320 -0.000 0.000 0.268 390 K C -1.331 175.081 176.600 -0.313 0.000 1.008 390 K CA -0.844 55.358 56.287 -0.142 0.000 0.882 390 K CB 1.189 33.667 32.500 -0.037 0.000 1.443 390 K HN 0.506 nan 8.250 nan 0.000 0.447 401 P HA 0.131 nan 4.420 nan 0.000 0.271 401 P C -0.899 176.142 177.300 -0.431 0.000 1.220 401 P CA -0.094 62.594 63.100 -0.687 0.000 0.768 401 P CB 0.905 31.738 31.700 -1.445 0.000 0.848 402 T N 5.694 120.100 114.554 -0.246 0.000 2.815 402 T HA 0.431 4.781 4.350 -0.000 0.000 0.289 402 T C -2.383 172.336 174.700 0.032 0.000 1.000 402 T CA -1.442 60.635 62.100 -0.038 0.000 0.958 402 T CB 1.599 70.438 68.868 -0.048 0.000 0.944 402 T HN 0.371 nan 8.240 nan 0.000 0.442 403 P HA 0.528 nan 4.420 nan 0.000 0.281 403 P C -0.942 176.301 177.300 -0.094 0.000 1.264 403 P CA -0.477 62.660 63.100 0.062 0.000 0.824 403 P CB 1.169 33.004 31.700 0.226 0.000 1.092 404 T N 1.428 115.791 114.554 -0.318 0.000 2.881 404 T HA 0.563 4.913 4.350 -0.000 0.000 0.290 404 T C -0.992 173.493 174.700 -0.359 0.000 1.000 404 T CA 0.002 61.983 62.100 -0.198 0.000 0.978 404 T CB 0.394 69.177 68.868 -0.141 0.000 0.997 404 T HN 0.133 nan 8.240 nan 0.000 0.443 405 F N 1.618 121.561 119.950 -0.011 0.000 2.493 405 F HA 0.641 5.168 4.527 -0.000 0.000 0.329 405 F C 0.498 176.258 175.800 -0.066 0.000 1.126 405 F CA -0.717 57.266 58.000 -0.029 0.000 0.937 405 F CB 2.203 41.192 39.000 -0.019 0.000 1.146 405 F HN 0.437 nan 8.300 nan 0.000 0.442 406 S N 2.832 118.550 115.700 0.030 0.000 2.775 406 S HA 0.702 5.172 4.470 -0.000 0.000 0.277 406 S C -0.499 173.988 174.600 -0.188 0.000 1.156 406 S CA -0.619 57.554 58.200 -0.045 0.000 1.081 406 S CB 0.463 63.646 63.200 -0.028 0.000 1.054 406 S HN 0.883 nan 8.310 nan 0.000 0.482 407 A N 2.684 125.409 122.820 -0.159 0.000 2.598 407 A HA 0.250 4.570 4.320 -0.000 0.000 0.239 407 A C 1.449 178.730 177.584 -0.505 0.000 1.032 407 A CA 0.730 52.563 52.037 -0.340 0.000 0.760 407 A CB -1.293 17.533 19.000 -0.289 0.000 0.946 407 A HN 1.909 nan 8.150 nan 0.000 0.512 408 C N 0.513 119.304 119.300 -0.847 0.000 4.297 408 C HA -0.239 4.220 4.460 -0.000 0.000 0.290 408 C C 0.767 175.523 174.990 -0.391 0.000 1.444 408 C CA 0.831 59.129 59.018 -1.200 0.000 1.982 408 C CB -3.235 23.947 27.740 -0.931 0.000 1.276 408 C HN 1.643 nan 8.230 nan 0.000 0.797 409 F N -2.354 117.434 119.950 -0.271 0.000 3.057 409 F HA -0.120 4.406 4.527 -0.001 0.000 0.287 409 F C 1.025 177.000 175.800 0.292 0.000 0.834 409 F CA 1.563 59.593 58.000 0.050 0.000 1.147 409 F CB -1.588 37.524 39.000 0.187 0.000 1.245 409 F HN 0.856 nan 8.300 nan 0.000 0.509 410 G N -1.445 107.494 108.800 0.231 0.000 4.695 410 G HA2 0.531 4.491 3.960 -0.000 0.000 0.229 410 G HA3 0.531 4.491 3.960 -0.000 0.000 0.229 410 G C 0.509 175.359 174.900 -0.084 0.000 2.630 410 G CA 0.030 45.289 45.100 0.266 0.000 0.626 410 G HN 0.624 nan 8.290 nan 0.000 0.234 411 A N 0.594 123.322 122.820 -0.154 0.000 1.940 411 A HA 0.226 4.545 4.320 -0.000 0.000 0.219 411 A C 2.690 180.105 177.584 -0.282 0.000 1.176 411 A CA 2.566 54.501 52.037 -0.170 0.000 0.631 411 A CB -0.316 18.635 19.000 -0.081 0.000 0.814 411 A HN 1.508 nan 8.150 nan 0.000 0.446 412 A N -1.620 120.862 122.820 -0.565 0.000 2.178 412 A HA 0.110 4.429 4.320 -0.000 0.000 0.218 412 A C 1.281 178.358 177.584 -0.844 0.000 1.157 412 A CA 1.250 52.822 52.037 -0.773 0.000 0.689 412 A CB -0.612 17.797 19.000 -0.985 0.000 0.787 412 A HN 0.527 nan 8.150 nan 0.000 0.465 413 F N -0.961 118.936 119.950 -0.088 0.000 2.661 413 F HA 0.361 4.888 4.527 -0.001 0.000 0.306 413 F C 0.167 175.808 175.800 -0.265 0.000 1.094 413 F CA -0.861 57.034 58.000 -0.174 0.000 1.254 413 F CB -0.191 38.701 39.000 -0.179 0.000 1.040 413 F HN -0.088 nan 8.300 nan 0.000 0.562 414 L N 0.481 121.628 121.223 -0.127 0.000 2.315 414 L HA 0.214 4.554 4.340 -0.000 0.000 0.283 414 L C 1.113 178.072 176.870 0.148 0.000 1.089 414 L CA -0.057 54.740 54.840 -0.071 0.000 0.833 414 L CB 0.920 42.924 42.059 -0.093 0.000 1.170 414 L HN 0.030 nan 8.230 nan 0.000 0.442 415 S N 3.378 119.185 115.700 0.180 0.000 2.503 415 S HA 0.266 4.736 4.470 -0.000 0.000 0.217 415 S C 0.595 175.319 174.600 0.205 0.000 0.999 415 S CA 0.137 58.404 58.200 0.111 0.000 0.914 415 S CB 0.143 63.379 63.200 0.058 0.000 0.782 415 S HN 0.386 nan 8.310 nan 0.000 0.520 416 L N 0.091 121.495 121.223 0.302 0.000 2.271 416 L HA 0.478 4.818 4.340 -0.000 0.000 0.265 416 L C 0.312 177.235 176.870 0.088 0.000 1.013 416 L CA -1.118 53.797 54.840 0.126 0.000 0.820 416 L CB 0.522 42.444 42.059 -0.228 0.000 1.352 416 L HN 0.197 nan 8.230 nan 0.000 0.443 417 H N 1.112 119.987 119.070 -0.324 0.000 2.732 417 H HA 0.086 4.642 4.556 -0.000 0.000 0.351 417 H C -2.017 172.985 175.328 -0.544 0.000 1.090 417 H CA -1.260 54.236 56.048 -0.920 0.000 1.431 417 H CB 1.956 31.285 29.762 -0.722 0.000 1.447 417 H HN 0.231 nan 8.280 nan 0.000 0.582 418 P HA -0.207 nan 4.420 nan 0.000 0.217 418 P C 1.613 178.873 177.300 -0.068 0.000 1.151 418 P CA 1.115 63.945 63.100 -0.451 0.000 0.849 418 P CB 0.115 31.250 31.700 -0.943 0.000 0.787 419 I N -0.556 120.054 120.570 0.066 0.000 2.361 419 I HA -0.245 3.924 4.170 -0.000 0.000 0.251 419 I C 2.008 178.120 176.117 -0.009 0.000 1.133 419 I CA 1.675 62.993 61.300 0.031 0.000 1.413 419 I CB -0.730 37.245 38.000 -0.042 0.000 1.073 419 I HN -0.023 nan 8.210 nan 0.000 0.424 420 Q N -1.277 118.468 119.800 -0.090 0.000 2.224 420 Q HA -0.192 4.148 4.340 -0.000 0.000 0.203 420 Q C 1.967 177.823 176.000 -0.240 0.000 0.970 420 Q CA 1.606 57.277 55.803 -0.220 0.000 0.865 420 Q CB -0.184 28.337 28.738 -0.361 0.000 0.922 420 Q HN 0.564 nan 8.270 nan 0.000 0.445 421 Y N -0.239 120.082 120.300 0.034 0.000 2.286 421 Y HA -0.053 4.497 4.550 -0.000 0.000 0.293 421 Y C 2.384 178.424 175.900 0.232 0.000 1.124 421 Y CA 0.797 58.996 58.100 0.164 0.000 1.178 421 Y CB -0.359 38.244 38.460 0.238 0.000 1.010 421 Y HN 0.100 nan 8.280 nan 0.000 0.536 422 A N 0.270 123.326 122.820 0.393 0.000 1.902 422 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 422 A C 1.824 179.442 177.584 0.056 0.000 1.181 422 A CA 2.015 54.210 52.037 0.263 0.000 0.623 422 A CB -0.747 18.440 19.000 0.312 0.000 0.818 422 A HN 0.325 nan 8.150 nan 0.000 0.443 423 D N -0.115 120.302 120.400 0.029 0.000 2.106 423 D HA -0.158 4.481 4.640 -0.000 0.000 0.191 423 D C 2.236 178.497 176.300 -0.064 0.000 0.997 423 D CA 2.208 56.191 54.000 -0.028 0.000 0.834 423 D CB -0.609 40.162 40.800 -0.049 0.000 0.956 423 D HN 0.446 nan 8.370 nan 0.000 0.448 424 V N -0.470 119.408 119.914 -0.060 0.000 2.515 424 V HA -0.127 3.993 4.120 -0.000 0.000 0.250 424 V C 2.348 178.359 176.094 -0.137 0.000 1.058 424 V CA 1.023 63.268 62.300 -0.092 0.000 1.064 424 V CB -0.894 30.891 31.823 -0.063 0.000 0.675 424 V HN 0.085 nan 8.190 nan 0.000 0.461 425 L N 0.729 121.896 121.223 -0.093 0.000 2.017 425 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 425 L C 2.460 179.197 176.870 -0.222 0.000 1.073 425 L CA 2.185 56.938 54.840 -0.145 0.000 0.745 425 L CB -0.692 41.227 42.059 -0.234 0.000 0.894 425 L HN 0.148 nan 8.230 nan 0.000 0.432 426 V N -0.258 119.558 119.914 -0.163 0.000 2.626 426 V HA -0.213 3.906 4.120 -0.000 0.000 0.252 426 V C 2.479 178.470 176.094 -0.173 0.000 1.067 426 V CA 1.703 63.919 62.300 -0.140 0.000 1.081 426 V CB -0.638 31.139 31.823 -0.077 0.000 0.686 426 V HN 0.503 nan 8.190 nan 0.000 0.468 427 E N -0.243 119.843 120.200 -0.190 0.000 2.047 427 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 427 E C 2.544 178.965 176.600 -0.297 0.000 0.987 427 E CA 0.892 57.175 56.400 -0.194 0.000 0.799 427 E CB -0.117 29.483 29.700 -0.167 0.000 0.752 427 E HN 0.380 nan 8.360 nan 0.000 0.449 428 R N 0.198 120.396 120.500 -0.503 0.000 2.075 428 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 428 R C 2.247 178.130 176.300 -0.696 0.000 1.126 428 R CA 1.140 56.719 56.100 -0.868 0.000 0.963 428 R CB -0.456 28.717 30.300 -1.878 0.000 0.858 428 R HN 0.313 nan 8.270 nan 0.000 0.435 429 M N 0.397 119.695 119.600 -0.503 0.000 2.117 429 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 429 M C 2.363 178.627 176.300 -0.061 0.000 1.065 429 M CA 1.580 56.823 55.300 -0.095 0.000 1.114 429 M CB -0.296 32.286 32.600 -0.030 0.000 1.361 429 M HN 0.014 nan 8.290 nan 0.000 0.408 430 K N 0.679 121.010 120.400 -0.114 0.000 2.057 430 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 430 K C 1.937 178.493 176.600 -0.074 0.000 1.049 430 K CA 1.545 57.784 56.287 -0.081 0.000 0.931 430 K CB -0.101 32.346 32.500 -0.088 0.000 0.714 430 K HN 0.283 nan 8.250 nan 0.000 0.440 431 A N 0.721 123.474 122.820 -0.110 0.000 1.933 431 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 431 A C 1.972 179.509 177.584 -0.078 0.000 1.175 431 A CA 2.033 54.005 52.037 -0.107 0.000 0.628 431 A CB -0.464 18.441 19.000 -0.159 0.000 0.814 431 A HN 0.532 nan 8.150 nan 0.000 0.444 432 S N -2.164 113.525 115.700 -0.018 0.000 2.556 432 S HA 0.399 4.869 4.470 -0.000 0.000 0.216 432 S C 1.289 175.928 174.600 0.065 0.000 0.970 432 S CA 0.963 59.196 58.200 0.055 0.000 0.912 432 S CB -0.225 63.118 63.200 0.239 0.000 0.790 432 S HN 1.904 nan 8.310 nan 0.000 0.504 433 G N 1.175 109.996 108.800 0.034 0.000 2.179 433 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.257 433 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.257 433 G C 0.289 175.214 174.900 0.042 0.000 1.010 433 G CA -0.022 45.092 45.100 0.023 0.000 0.736 433 G HN 1.292 nan 8.290 nan 0.000 0.513 434 A N -0.615 122.254 122.820 0.083 0.000 2.462 434 A HA 0.609 4.929 4.320 -0.000 0.000 0.243 434 A C 0.423 178.010 177.584 0.005 0.000 1.076 434 A CA 0.537 52.629 52.037 0.093 0.000 0.773 434 A CB 0.363 19.495 19.000 0.221 0.000 1.010 434 A HN 0.566 nan 8.150 nan 0.000 0.493 435 E N 0.125 120.309 120.200 -0.028 0.000 2.195 435 E HA 0.598 4.948 4.350 -0.000 0.000 0.271 435 E C -0.285 176.111 176.600 -0.340 0.000 0.923 435 E CA -0.339 55.939 56.400 -0.204 0.000 0.790 435 E CB 1.989 31.560 29.700 -0.215 0.000 1.155 435 E HN 0.832 nan 8.360 nan 0.000 0.402 436 A N 2.535 125.032 122.820 -0.540 0.000 2.324 436 A HA 0.701 5.020 4.320 -0.000 0.000 0.330 436 A C -1.501 175.598 177.584 -0.808 0.000 1.165 436 A CA -0.477 51.224 52.037 -0.560 0.000 0.813 436 A CB 0.459 19.137 19.000 -0.536 0.000 1.197 436 A HN 0.579 nan 8.150 nan 0.000 0.484 437 Y N 0.540 120.688 120.300 -0.253 0.000 2.442 437 Y HA 0.534 5.084 4.550 -0.001 0.000 0.344 437 Y C -0.437 175.408 175.900 -0.092 0.000 0.976 437 Y CA -0.865 57.150 58.100 -0.143 0.000 1.040 437 Y CB 2.051 40.452 38.460 -0.097 0.000 1.228 437 Y HN 0.589 nan 8.280 nan 0.000 0.451 438 L N 3.909 125.196 121.223 0.106 0.000 2.264 438 L HA 0.717 5.056 4.340 -0.000 0.000 0.289 438 L C -1.232 175.733 176.870 0.158 0.000 1.044 438 L CA -0.545 54.390 54.840 0.159 0.000 0.807 438 L CB 0.839 42.912 42.059 0.024 0.000 1.192 438 L HN 0.468 nan 8.230 nan 0.000 0.425 439 V N 5.156 125.188 119.914 0.196 0.000 2.378 439 V HA 0.390 4.510 4.120 -0.000 0.000 0.288 439 V C -0.259 175.932 176.094 0.161 0.000 1.016 439 V CA -0.766 61.622 62.300 0.148 0.000 0.840 439 V CB 1.466 33.365 31.823 0.126 0.000 0.994 439 V HN 0.801 nan 8.190 nan 0.000 0.431 440 N N 3.301 122.084 118.700 0.137 0.000 2.420 440 N HA 0.149 4.888 4.740 -0.000 0.000 0.249 440 N C 0.916 176.478 175.510 0.087 0.000 1.033 440 N CA 0.099 53.241 53.050 0.153 0.000 0.944 440 N CB 1.520 40.112 38.487 0.175 0.000 1.113 440 N HN 0.749 nan 8.380 nan 0.000 0.502 441 T N -0.101 114.489 114.554 0.059 0.000 3.145 441 T HA 0.304 4.654 4.350 -0.000 0.000 0.255 441 T C 1.108 175.721 174.700 -0.145 0.000 1.039 441 T CA -0.037 62.044 62.100 -0.031 0.000 0.928 441 T CB 0.084 68.935 68.868 -0.029 0.000 1.029 441 T HN 0.321 nan 8.240 nan 0.000 0.554 442 G N 0.545 109.299 108.800 -0.076 0.000 3.287 442 G HA2 0.461 4.421 3.960 -0.000 0.000 0.172 442 G HA3 0.461 4.421 3.960 -0.000 0.000 0.172 442 G C -0.317 174.385 174.900 -0.329 0.000 1.922 442 G CA -0.685 44.268 45.100 -0.245 0.000 0.952 442 G HN 0.476 nan 8.290 nan 0.000 0.520 443 W N 0.137 121.482 121.300 0.074 0.000 2.762 443 W HA 0.456 5.115 4.660 -0.001 0.000 0.355 443 W C -0.313 176.251 176.519 0.074 0.000 1.124 443 W CA -0.410 56.968 57.345 0.055 0.000 1.141 443 W CB 1.685 31.171 29.460 0.043 0.000 1.432 443 W HN 0.610 nan 8.180 nan 0.000 0.586 444 N N -1.498 117.355 118.700 0.256 0.000 3.283 444 N HA 0.410 5.149 4.740 -0.000 0.000 0.338 444 N C 0.830 176.295 175.510 -0.075 0.000 1.517 444 N CA -0.265 52.861 53.050 0.127 0.000 0.733 444 N CB -0.181 38.340 38.487 0.057 0.000 1.797 444 N HN 0.361 nan 8.380 nan 0.000 0.637 445 G N -1.322 107.198 108.800 -0.466 0.000 2.479 445 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.220 445 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.220 445 G C 1.087 175.698 174.900 -0.481 0.000 1.115 445 G CA 1.642 46.027 45.100 -1.192 0.000 0.757 445 G HN 0.837 nan 8.290 nan 0.000 0.560 446 T N -2.487 111.940 114.554 -0.212 0.000 3.007 446 T HA 0.277 4.626 4.350 -0.000 0.000 0.270 446 T C 2.093 176.781 174.700 -0.021 0.000 1.107 446 T CA 1.061 63.111 62.100 -0.083 0.000 1.118 446 T CB -0.183 68.665 68.868 -0.033 0.000 0.889 446 T HN 1.336 nan 8.240 nan 0.000 0.506 447 G N 0.869 109.673 108.800 0.006 0.000 2.176 447 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.253 447 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.253 447 G C 0.029 175.053 174.900 0.206 0.000 0.979 447 G CA 0.308 45.453 45.100 0.075 0.000 0.641 447 G HN 0.694 nan 8.290 nan 0.000 0.530 448 K N 0.124 120.638 120.400 0.190 0.000 2.211 448 K HA 0.633 4.953 4.320 -0.000 0.000 0.237 448 K C 0.662 177.346 176.600 0.140 0.000 1.002 448 K CA -1.022 55.386 56.287 0.202 0.000 0.885 448 K CB 1.046 33.589 32.500 0.072 0.000 1.136 448 K HN 0.156 nan 8.250 nan 0.000 0.448 449 R N 0.998 121.437 120.500 -0.100 0.000 2.594 449 R HA 0.194 4.533 4.340 -0.000 0.000 0.272 449 R C 0.210 176.390 176.300 -0.200 0.000 1.074 449 R CA -0.311 55.541 56.100 -0.413 0.000 1.105 449 R CB 0.092 30.055 30.300 -0.562 0.000 1.008 449 R HN 0.456 nan 8.270 nan 0.000 0.472 450 I N 1.597 122.053 120.570 -0.191 0.000 2.692 450 I HA -0.101 4.068 4.170 -0.000 0.000 0.284 450 I C 1.166 177.216 176.117 -0.111 0.000 1.159 450 I CA 0.295 61.534 61.300 -0.101 0.000 1.423 450 I CB 0.649 38.607 38.000 -0.069 0.000 1.380 450 I HN 0.677 nan 8.210 nan 0.000 0.580 451 S N 6.102 121.757 115.700 -0.075 0.000 2.572 451 S HA 0.101 4.571 4.470 -0.000 0.000 0.279 451 S C 1.065 175.623 174.600 -0.070 0.000 1.341 451 S CA -0.596 57.562 58.200 -0.071 0.000 1.043 451 S CB 0.963 64.133 63.200 -0.051 0.000 0.887 451 S HN 0.707 nan 8.310 nan 0.000 0.516 452 I N 1.705 122.232 120.570 -0.072 0.000 2.493 452 I HA -0.124 4.046 4.170 -0.000 0.000 0.254 452 I C 2.372 178.458 176.117 -0.052 0.000 1.160 452 I CA 1.342 62.602 61.300 -0.066 0.000 1.445 452 I CB -0.263 37.696 38.000 -0.068 0.000 1.086 452 I HN 0.971 nan 8.210 nan 0.000 0.433 453 K N 0.730 121.102 120.400 -0.047 0.000 2.026 453 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 453 K C 1.608 178.186 176.600 -0.037 0.000 1.048 453 K CA 2.079 58.342 56.287 -0.040 0.000 0.929 453 K CB -0.157 32.322 32.500 -0.036 0.000 0.713 453 K HN 0.340 nan 8.250 nan 0.000 0.439 454 D N 0.035 120.412 120.400 -0.037 0.000 2.117 454 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 454 D C 1.842 178.123 176.300 -0.032 0.000 0.982 454 D CA 1.412 55.392 54.000 -0.033 0.000 0.828 454 D CB -0.282 40.500 40.800 -0.030 0.000 0.967 454 D HN 0.287 nan 8.370 nan 0.000 0.464 455 T N 0.960 115.493 114.554 -0.035 0.000 2.746 455 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 455 T C 2.015 176.700 174.700 -0.025 0.000 1.039 455 T CA 0.834 62.918 62.100 -0.028 0.000 1.142 455 T CB 0.026 68.873 68.868 -0.035 0.000 0.866 455 T HN 0.137 nan 8.240 nan 0.000 0.444 456 R N 0.397 120.878 120.500 -0.032 0.000 2.092 456 R HA -0.005 4.334 4.340 -0.000 0.000 0.231 456 R C 2.868 179.150 176.300 -0.031 0.000 1.119 456 R CA 1.179 57.261 56.100 -0.029 0.000 0.970 456 R CB -0.595 29.684 30.300 -0.035 0.000 0.864 456 R HN 0.427 nan 8.270 nan 0.000 0.440 457 G N 0.973 109.753 108.800 -0.034 0.000 2.422 457 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 457 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 457 G C 1.428 176.300 174.900 -0.046 0.000 1.140 457 G CA 0.411 45.489 45.100 -0.037 0.000 0.775 457 G HN 0.158 nan 8.290 nan 0.000 0.545 458 I N 0.711 121.254 120.570 -0.046 0.000 2.202 458 I HA -0.099 4.071 4.170 -0.000 0.000 0.242 458 I C 2.481 178.544 176.117 -0.089 0.000 1.091 458 I CA 0.449 61.711 61.300 -0.064 0.000 1.368 458 I CB -0.075 37.899 38.000 -0.043 0.000 1.058 458 I HN 0.057 nan 8.210 nan 0.000 0.410 459 I N 0.694 121.234 120.570 -0.051 0.000 2.226 459 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 459 I C 2.118 178.199 176.117 -0.060 0.000 1.100 459 I CA 1.648 62.927 61.300 -0.035 0.000 1.374 459 I CB -1.360 36.669 38.000 0.047 0.000 1.057 459 I HN 0.260 nan 8.210 nan 0.000 0.413 460 D N 1.155 121.525 120.400 -0.049 0.000 2.117 460 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 460 D C 2.268 178.522 176.300 -0.076 0.000 0.987 460 D CA 1.581 55.551 54.000 -0.050 0.000 0.829 460 D CB -0.064 40.712 40.800 -0.040 0.000 0.961 460 D HN 0.311 nan 8.370 nan 0.000 0.460 461 A N 0.414 123.177 122.820 -0.095 0.000 1.969 461 A HA -0.093 4.226 4.320 -0.000 0.000 0.218 461 A C 2.347 179.825 177.584 -0.175 0.000 1.169 461 A CA 0.685 52.656 52.037 -0.110 0.000 0.635 461 A CB -0.547 18.392 19.000 -0.101 0.000 0.810 461 A HN 0.178 nan 8.150 nan 0.000 0.445 462 I N -0.427 119.985 120.570 -0.264 0.000 2.163 462 I HA -0.227 3.942 4.170 -0.000 0.000 0.240 462 I C 2.291 178.257 176.117 -0.252 0.000 1.081 462 I CA 1.128 62.158 61.300 -0.449 0.000 1.353 462 I CB -0.280 37.359 38.000 -0.602 0.000 1.054 462 I HN 0.273 nan 8.210 nan 0.000 0.407 463 L N 0.719 121.847 121.223 -0.160 0.000 2.141 463 L HA -0.190 4.149 4.340 -0.000 0.000 0.209 463 L C 1.812 178.645 176.870 -0.062 0.000 1.094 463 L CA 1.245 56.031 54.840 -0.090 0.000 0.763 463 L CB -0.753 41.277 42.059 -0.048 0.000 0.908 463 L HN 0.431 nan 8.230 nan 0.000 0.437 464 D N -0.835 119.528 120.400 -0.063 0.000 2.339 464 D HA 0.054 4.693 4.640 -0.000 0.000 0.217 464 D C 1.472 177.751 176.300 -0.035 0.000 1.050 464 D CA 0.652 54.627 54.000 -0.041 0.000 0.856 464 D CB 0.211 40.990 40.800 -0.035 0.000 0.922 464 D HN 0.218 nan 8.370 nan 0.000 0.518 465 G N 0.316 109.088 108.800 -0.047 0.000 2.184 465 G HA2 -0.387 3.572 3.960 -0.000 0.000 0.264 465 G HA3 -0.387 3.572 3.960 -0.000 0.000 0.264 465 G C 1.274 176.161 174.900 -0.021 0.000 0.975 465 G CA 1.020 46.106 45.100 -0.023 0.000 0.642 465 G HN 0.716 nan 8.290 nan 0.000 0.536 466 S N -0.231 115.447 115.700 -0.037 0.000 2.419 466 S HA 0.044 4.514 4.470 -0.000 0.000 0.233 466 S C 2.264 176.849 174.600 -0.025 0.000 1.016 466 S CA 1.377 59.559 58.200 -0.028 0.000 0.974 466 S CB -0.164 63.016 63.200 -0.034 0.000 0.786 466 S HN 1.039 nan 8.310 nan 0.000 0.492 467 I N 1.293 121.837 120.570 -0.043 0.000 2.454 467 I HA -0.117 4.053 4.170 -0.000 0.000 0.254 467 I C 1.950 178.087 176.117 0.033 0.000 1.156 467 I CA 1.398 62.685 61.300 -0.021 0.000 1.433 467 I CB -0.120 37.833 38.000 -0.079 0.000 1.082 467 I HN 0.182 nan 8.210 nan 0.000 0.432 468 E N 0.918 121.143 120.200 0.042 0.000 2.347 468 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 468 E C 1.672 178.289 176.600 0.028 0.000 1.008 468 E CA 0.741 57.174 56.400 0.055 0.000 0.852 468 E CB 0.014 29.750 29.700 0.060 0.000 0.783 468 E HN 0.584 nan 8.360 nan 0.000 0.505 469 K N 0.199 120.608 120.400 0.014 0.000 2.367 469 K HA 0.216 4.536 4.320 -0.000 0.000 0.194 469 K C 0.761 177.363 176.600 0.004 0.000 1.027 469 K CA 0.003 56.294 56.287 0.007 0.000 1.075 469 K CB 0.729 33.230 32.500 0.001 0.000 0.845 469 K HN -0.071 nan 8.250 nan 0.000 0.529 470 A N 2.159 124.983 122.820 0.006 0.000 2.386 470 A HA 0.045 4.365 4.320 -0.000 0.000 0.248 470 A C -0.175 177.412 177.584 0.004 0.000 1.082 470 A CA -0.315 51.724 52.037 0.003 0.000 0.789 470 A CB 0.216 19.217 19.000 0.002 0.000 1.025 470 A HN 0.294 nan 8.150 nan 0.000 0.490 471 E N 1.515 121.715 120.200 -0.001 0.000 2.360 471 E HA 0.303 4.652 4.350 -0.000 0.000 0.269 471 E C -0.626 175.974 176.600 -0.001 0.000 1.022 471 E CA -0.261 56.138 56.400 -0.002 0.000 0.887 471 E CB 0.328 30.025 29.700 -0.005 0.000 0.990 471 E HN 0.503 nan 8.360 nan 0.000 0.426 472 M N 2.933 122.533 119.600 -0.001 0.000 2.508 472 M HA 0.474 4.954 4.480 -0.000 0.000 0.327 472 M C 0.241 176.537 176.300 -0.007 0.000 1.160 472 M CA -0.617 54.683 55.300 -0.001 0.000 0.980 472 M CB 1.318 33.921 32.600 0.004 0.000 1.693 472 M HN 0.677 nan 8.290 nan 0.000 0.452 473 G N 0.614 109.407 108.800 -0.010 0.000 3.013 473 G HA2 0.683 4.642 3.960 -0.000 0.000 0.278 473 G HA3 0.683 4.642 3.960 -0.000 0.000 0.278 473 G C -1.589 173.303 174.900 -0.014 0.000 1.353 473 G CA -0.389 44.701 45.100 -0.017 0.000 1.043 473 G HN 0.684 nan 8.290 nan 0.000 0.523 474 E N -0.560 119.630 120.200 -0.017 0.000 2.263 474 E HA 0.400 4.750 4.350 -0.000 0.000 0.268 474 E C -1.479 175.114 176.600 -0.011 0.000 0.884 474 E CA -0.751 55.645 56.400 -0.006 0.000 0.766 474 E CB 2.124 31.825 29.700 0.002 0.000 1.196 474 E HN 0.308 nan 8.360 nan 0.000 0.416 475 L N 6.295 127.519 121.223 0.003 0.000 2.367 475 L HA 0.401 4.741 4.340 -0.000 0.000 0.275 475 L C -2.449 174.486 176.870 0.109 0.000 1.129 475 L CA -1.396 53.447 54.840 0.004 0.000 0.839 475 L CB 0.629 42.703 42.059 0.026 0.000 1.133 475 L HN 0.474 nan 8.230 nan 0.000 0.453 476 P HA 0.310 nan 4.420 nan 0.000 0.273 476 P C 0.828 178.326 177.300 0.331 0.000 1.250 476 P CA -0.110 63.105 63.100 0.191 0.000 0.793 476 P CB 0.564 32.374 31.700 0.184 0.000 1.011 477 I N -3.187 117.482 120.570 0.165 0.000 4.519 477 I HA -0.431 3.738 4.170 -0.000 0.000 0.056 477 I C 1.373 177.399 176.117 -0.152 0.000 0.610 477 I CA 1.603 62.909 61.300 0.010 0.000 0.951 477 I CB -1.375 36.658 38.000 0.055 0.000 0.858 477 I HN 0.262 nan 8.210 nan 0.000 0.164 478 F N 1.035 121.014 119.950 0.049 0.000 2.664 478 F HA 0.156 4.682 4.527 -0.001 0.000 0.296 478 F C 1.239 177.033 175.800 -0.010 0.000 1.125 478 F CA 1.247 59.244 58.000 -0.005 0.000 1.444 478 F CB -0.366 38.649 39.000 0.025 0.000 1.114 478 F HN 0.205 nan 8.300 nan 0.000 0.576 479 N N 0.921 119.719 118.700 0.163 0.000 2.714 479 N HA -0.206 4.533 4.740 -0.000 0.000 0.253 479 N C -1.030 174.529 175.510 0.082 0.000 1.024 479 N CA -0.062 53.036 53.050 0.080 0.000 0.726 479 N CB -1.481 37.014 38.487 0.014 0.000 0.908 479 N HN 0.192 nan 8.380 nan 0.000 0.542 480 L N 0.394 121.680 121.223 0.105 0.000 2.289 480 L HA 0.629 4.969 4.340 -0.000 0.000 0.285 480 L C 0.756 177.642 176.870 0.026 0.000 1.049 480 L CA -0.825 54.050 54.840 0.057 0.000 0.804 480 L CB 1.323 43.408 42.059 0.043 0.000 1.195 480 L HN 0.233 nan 8.230 nan 0.000 0.428 481 A N 5.918 128.744 122.820 0.010 0.000 2.404 481 A HA 0.587 4.907 4.320 -0.000 0.000 0.273 481 A C -0.274 177.316 177.584 0.011 0.000 1.144 481 A CA -0.238 51.802 52.037 0.005 0.000 0.806 481 A CB -0.173 18.826 19.000 -0.002 0.000 1.080 481 A HN 0.697 nan 8.150 nan 0.000 0.509 482 I N 0.730 121.304 120.570 0.006 0.000 2.608 482 I HA 0.674 4.844 4.170 -0.000 0.000 0.295 482 I C -2.769 173.352 176.117 0.005 0.000 1.049 482 I CA -2.904 58.401 61.300 0.008 0.000 1.063 482 I CB 2.805 40.799 38.000 -0.010 0.000 1.248 482 I HN 0.337 nan 8.210 nan 0.000 0.424 483 P HA 0.200 nan 4.420 nan 0.000 0.278 483 P C -0.460 176.836 177.300 -0.007 0.000 1.238 483 P CA -0.370 62.733 63.100 0.005 0.000 0.794 483 P CB 1.417 33.122 31.700 0.008 0.000 0.955 484 K N 1.011 121.405 120.400 -0.010 0.000 2.228 484 K HA 0.222 4.542 4.320 -0.000 0.000 0.202 484 K C 0.940 177.531 176.600 -0.014 0.000 1.051 484 K CA 0.747 57.025 56.287 -0.015 0.000 0.960 484 K CB 0.024 32.516 32.500 -0.014 0.000 0.743 484 K HN 0.620 nan 8.250 nan 0.000 0.458 485 A N 0.506 123.318 122.820 -0.013 0.000 2.612 485 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 485 A C -1.583 175.991 177.584 -0.016 0.000 1.075 485 A CA -0.722 51.306 52.037 -0.014 0.000 0.680 485 A CB 1.318 20.310 19.000 -0.013 0.000 1.279 485 A HN 0.080 nan 8.150 nan 0.000 0.411 486 L N 0.852 122.064 121.223 -0.019 0.000 2.472 486 L HA 0.465 4.805 4.340 -0.000 0.000 0.260 486 L C -2.687 174.168 176.870 -0.025 0.000 0.963 486 L CA -1.925 52.900 54.840 -0.024 0.000 0.829 486 L CB 2.775 44.815 42.059 -0.032 0.000 1.348 486 L HN 0.450 nan 8.230 nan 0.000 0.408 487 P HA 0.108 nan 4.420 nan 0.000 0.265 487 P C 0.724 178.008 177.300 -0.026 0.000 1.193 487 P CA 0.672 63.758 63.100 -0.024 0.000 0.765 487 P CB 0.667 32.353 31.700 -0.025 0.000 0.823 488 G N 1.157 109.943 108.800 -0.024 0.000 2.166 488 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 488 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 488 G C 0.002 174.887 174.900 -0.026 0.000 0.986 488 G CA 0.139 45.224 45.100 -0.025 0.000 0.683 488 G HN 0.528 nan 8.290 nan 0.000 0.527 489 V N 0.080 119.979 119.914 -0.025 0.000 2.735 489 V HA 0.506 4.626 4.120 -0.000 0.000 0.310 489 V C -0.118 175.964 176.094 -0.021 0.000 1.061 489 V CA -1.082 61.203 62.300 -0.024 0.000 0.913 489 V CB 2.004 33.811 31.823 -0.026 0.000 1.005 489 V HN 0.258 nan 8.190 nan 0.000 0.428 490 D N 6.328 126.716 120.400 -0.020 0.000 2.363 490 D HA 0.125 4.765 4.640 -0.000 0.000 0.263 490 D C -1.088 175.202 176.300 -0.016 0.000 1.258 490 D CA -1.648 52.342 54.000 -0.017 0.000 0.907 490 D CB 1.672 42.462 40.800 -0.017 0.000 1.107 490 D HN 0.291 nan 8.370 nan 0.000 0.495 491 P HA -0.108 nan 4.420 nan 0.000 0.225 491 P C 0.823 178.114 177.300 -0.015 0.000 1.148 491 P CA 0.537 63.628 63.100 -0.015 0.000 0.779 491 P CB 0.198 31.889 31.700 -0.014 0.000 0.780 492 A N 0.251 123.063 122.820 -0.013 0.000 2.168 492 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 492 A C 1.977 179.554 177.584 -0.012 0.000 1.152 492 A CA 0.845 52.875 52.037 -0.012 0.000 0.716 492 A CB -1.216 17.778 19.000 -0.009 0.000 0.794 492 A HN 0.418 nan 8.150 nan 0.000 0.465 493 I N -5.049 115.514 120.570 -0.012 0.000 4.139 493 I HA 0.251 4.421 4.170 -0.000 0.000 0.335 493 I C 1.433 177.546 176.117 -0.005 0.000 1.327 493 I CA 0.099 61.395 61.300 -0.007 0.000 1.112 493 I CB 0.054 38.050 38.000 -0.006 0.000 1.058 493 I HN 0.039 nan 8.210 nan 0.000 0.396 494 L N 0.941 122.156 121.223 -0.013 0.000 2.083 494 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 494 L C 0.838 177.692 176.870 -0.026 0.000 1.083 494 L CA 1.160 55.992 54.840 -0.014 0.000 0.752 494 L CB -0.423 41.626 42.059 -0.017 0.000 0.899 494 L HN 0.375 nan 8.230 nan 0.000 0.433 495 D N 0.334 120.707 120.400 -0.045 0.000 2.317 495 D HA 0.107 4.746 4.640 -0.000 0.000 0.234 495 D C -1.637 174.611 176.300 -0.088 0.000 1.112 495 D CA -2.307 51.637 54.000 -0.092 0.000 0.840 495 D CB 1.783 42.514 40.800 -0.113 0.000 1.078 495 D HN -0.094 nan 8.370 nan 0.000 0.486 496 P HA -0.123 nan 4.420 nan 0.000 0.221 496 P C 1.013 178.331 177.300 0.029 0.000 1.145 496 P CA 0.700 63.812 63.100 0.020 0.000 0.795 496 P CB 0.478 32.267 31.700 0.148 0.000 0.775 497 R N -0.175 120.156 120.500 -0.281 0.000 2.148 497 R HA -0.058 4.282 4.340 -0.000 0.000 0.223 497 R C 1.688 178.041 176.300 0.088 0.000 1.088 497 R CA 1.134 57.139 56.100 -0.159 0.000 0.985 497 R CB -0.504 29.548 30.300 -0.413 0.000 0.880 497 R HN 0.166 nan 8.270 nan 0.000 0.451 498 D N -0.235 120.174 120.400 0.014 0.000 2.310 498 D HA -0.090 4.550 4.640 -0.000 0.000 0.212 498 D C 1.492 177.823 176.300 0.051 0.000 0.965 498 D CA 1.378 55.397 54.000 0.031 0.000 0.879 498 D CB -0.059 40.738 40.800 -0.005 0.000 0.921 498 D HN 0.335 nan 8.370 nan 0.000 0.510 499 T N -2.725 111.859 114.554 0.050 0.000 3.129 499 T HA 0.028 4.378 4.350 -0.000 0.000 0.251 499 T C 0.478 175.104 174.700 -0.122 0.000 1.117 499 T CA -0.147 61.926 62.100 -0.045 0.000 1.034 499 T CB -0.290 68.516 68.868 -0.103 0.000 0.968 499 T HN -0.053 nan 8.240 nan 0.000 0.526 500 Y N 0.221 120.575 120.300 0.089 0.000 2.419 500 Y HA 0.673 5.223 4.550 -0.001 0.000 0.328 500 Y C 1.657 177.604 175.900 0.077 0.000 1.162 500 Y CA -0.880 57.284 58.100 0.107 0.000 1.174 500 Y CB 1.236 39.793 38.460 0.161 0.000 1.228 500 Y HN 0.025 nan 8.280 nan 0.000 0.473 501 A N 0.818 123.778 122.820 0.234 0.000 1.877 501 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 501 A C 0.111 177.783 177.584 0.146 0.000 1.186 501 A CA 1.567 53.691 52.037 0.146 0.000 0.620 501 A CB -0.270 18.802 19.000 0.119 0.000 0.822 501 A HN 0.718 nan 8.150 nan 0.000 0.443 502 D N -1.748 118.759 120.400 0.179 0.000 2.619 502 D HA 0.287 4.927 4.640 -0.000 0.000 0.241 502 D C 0.482 176.871 176.300 0.149 0.000 1.087 502 D CA -0.318 53.761 54.000 0.133 0.000 0.851 502 D CB 1.523 42.382 40.800 0.098 0.000 1.474 502 D HN 0.411 nan 8.370 nan 0.000 0.478 503 K N 0.232 120.704 120.400 0.119 0.000 2.362 503 K HA -0.017 4.303 4.320 -0.000 0.000 0.200 503 K C 1.438 178.120 176.600 0.137 0.000 1.046 503 K CA 0.819 57.184 56.287 0.131 0.000 0.952 503 K CB 0.027 32.578 32.500 0.085 0.000 0.753 503 K HN 0.257 nan 8.250 nan 0.000 0.466 504 A N 1.769 124.642 122.820 0.089 0.000 2.019 504 A HA -0.187 4.132 4.320 -0.000 0.000 0.219 504 A C 2.066 179.651 177.584 0.002 0.000 1.164 504 A CA 1.336 53.409 52.037 0.060 0.000 0.644 504 A CB -0.425 18.604 19.000 0.047 0.000 0.805 504 A HN 0.490 nan 8.150 nan 0.000 0.449 505 Q N -2.059 117.723 119.800 -0.030 0.000 2.079 505 Q HA -0.216 4.123 4.340 -0.000 0.000 0.200 505 Q C 1.919 177.672 176.000 -0.411 0.000 0.974 505 Q CA 1.648 57.369 55.803 -0.136 0.000 0.840 505 Q CB -0.270 28.456 28.738 -0.019 0.000 0.898 505 Q HN 0.912 nan 8.270 nan 0.000 0.430 506 W N 1.740 122.575 121.300 -0.775 0.000 2.355 506 W HA -0.258 4.401 4.660 -0.000 0.000 0.309 506 W C 2.325 178.691 176.519 -0.256 0.000 1.206 506 W CA 1.821 58.711 57.345 -0.760 0.000 1.284 506 W CB -0.191 28.982 29.460 -0.479 0.000 1.145 506 W HN 0.119 nan 8.180 nan 0.000 0.502 507 Q N 0.494 120.266 119.800 -0.047 0.000 2.112 507 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 507 Q C 1.958 177.794 176.000 -0.273 0.000 0.987 507 Q CA 3.089 58.805 55.803 -0.146 0.000 0.858 507 Q CB -0.833 27.960 28.738 0.091 0.000 0.905 507 Q HN 0.266 nan 8.270 nan 0.000 0.420 508 V N 0.458 120.259 119.914 -0.189 0.000 2.358 508 V HA -0.248 3.871 4.120 -0.000 0.000 0.246 508 V C 2.096 178.092 176.094 -0.163 0.000 1.047 508 V CA 2.229 64.447 62.300 -0.137 0.000 1.035 508 V CB -0.442 31.338 31.823 -0.071 0.000 0.658 508 V HN 0.379 nan 8.190 nan 0.000 0.452 509 K N 0.214 120.483 120.400 -0.218 0.000 2.148 509 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 509 K C 2.242 178.709 176.600 -0.223 0.000 1.050 509 K CA 1.296 57.506 56.287 -0.129 0.000 0.942 509 K CB -0.339 32.125 32.500 -0.059 0.000 0.724 509 K HN 0.473 nan 8.250 nan 0.000 0.446 510 A N 1.656 124.160 122.820 -0.527 0.000 1.930 510 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 510 A C 1.860 179.328 177.584 -0.193 0.000 1.175 510 A CA 1.306 53.057 52.037 -0.476 0.000 0.627 510 A CB -0.271 18.018 19.000 -1.186 0.000 0.815 510 A HN 0.259 nan 8.150 nan 0.000 0.443 511 E N -0.532 119.536 120.200 -0.220 0.000 2.150 511 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 511 E C 1.622 178.165 176.600 -0.096 0.000 0.985 511 E CA 1.003 57.318 56.400 -0.142 0.000 0.814 511 E CB -0.115 29.517 29.700 -0.115 0.000 0.752 511 E HN 0.630 nan 8.360 nan 0.000 0.466 512 D N 0.721 121.073 120.400 -0.079 0.000 2.084 512 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 512 D C 1.920 178.157 176.300 -0.105 0.000 0.990 512 D CA 0.662 54.636 54.000 -0.044 0.000 0.826 512 D CB -0.080 40.738 40.800 0.030 0.000 0.971 512 D HN 0.060 nan 8.370 nan 0.000 0.453 513 L N 0.650 121.767 121.223 -0.176 0.000 2.046 513 L HA 0.019 4.358 4.340 -0.000 0.000 0.208 513 L C 2.218 179.167 176.870 0.132 0.000 1.077 513 L CA 2.134 56.835 54.840 -0.232 0.000 0.747 513 L CB -1.149 40.802 42.059 -0.181 0.000 0.896 513 L HN 0.079 nan 8.230 nan 0.000 0.432 514 A N -0.378 122.492 122.820 0.084 0.000 1.908 514 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 514 A C 2.210 179.785 177.584 -0.016 0.000 1.181 514 A CA 2.008 53.975 52.037 -0.117 0.000 0.627 514 A CB -1.067 17.697 19.000 -0.393 0.000 0.818 514 A HN 0.629 nan 8.150 nan 0.000 0.445 515 N N -0.483 118.199 118.700 -0.030 0.000 2.120 515 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 515 N C 1.844 177.366 175.510 0.019 0.000 1.024 515 N CA 1.777 54.818 53.050 -0.015 0.000 0.852 515 N CB -0.245 38.230 38.487 -0.021 0.000 1.003 515 N HN 0.524 nan 8.380 nan 0.000 0.424 516 R N -1.268 119.254 120.500 0.037 0.000 2.092 516 R HA -0.041 4.298 4.340 -0.000 0.000 0.231 516 R C 1.866 178.155 176.300 -0.019 0.000 1.119 516 R CA 1.205 57.336 56.100 0.051 0.000 0.970 516 R CB -0.394 29.966 30.300 0.101 0.000 0.864 516 R HN 0.256 nan 8.270 nan 0.000 0.440 517 F N 0.116 120.079 119.950 0.021 0.000 2.146 517 F HA -0.187 4.340 4.527 0.000 0.000 0.298 517 F C 2.349 178.128 175.800 -0.036 0.000 1.096 517 F CA 1.162 59.163 58.000 0.001 0.000 1.275 517 F CB -0.331 38.771 39.000 0.169 0.000 1.008 517 F HN -0.229 nan 8.300 nan 0.000 0.480 518 V N -0.125 119.893 119.914 0.173 0.000 2.343 518 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 518 V C 2.417 178.541 176.094 0.051 0.000 1.051 518 V CA 1.546 63.910 62.300 0.107 0.000 1.036 518 V CB -0.479 31.355 31.823 0.018 0.000 0.654 518 V HN 0.188 nan 8.190 nan 0.000 0.451 519 K N 0.298 120.683 120.400 -0.024 0.000 2.097 519 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 519 K C 1.975 178.482 176.600 -0.156 0.000 1.050 519 K CA 1.669 57.915 56.287 -0.069 0.000 0.938 519 K CB -0.711 31.752 32.500 -0.061 0.000 0.718 519 K HN 0.522 nan 8.250 nan 0.000 0.442 520 N N 0.206 118.726 118.700 -0.301 0.000 2.188 520 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 520 N C 1.496 176.789 175.510 -0.363 0.000 1.018 520 N CA 0.796 53.546 53.050 -0.499 0.000 0.858 520 N CB -0.169 37.579 38.487 -1.231 0.000 0.989 520 N HN 0.061 nan 8.380 nan 0.000 0.426 521 F N 0.008 119.790 119.950 -0.280 0.000 2.558 521 F HA 0.104 4.631 4.527 -0.001 0.000 0.298 521 F C 1.794 177.507 175.800 -0.145 0.000 1.119 521 F CA 0.232 58.150 58.000 -0.136 0.000 1.451 521 F CB 0.088 39.109 39.000 0.034 0.000 1.091 521 F HN -0.117 nan 8.300 nan 0.000 0.563 522 V N 1.668 121.575 119.914 -0.013 0.000 2.380 522 V HA -0.399 3.720 4.120 -0.000 0.000 0.251 522 V C 2.414 178.419 176.094 -0.150 0.000 1.063 522 V CA 2.414 64.700 62.300 -0.024 0.000 1.055 522 V CB -1.004 30.799 31.823 -0.034 0.000 0.657 522 V HN 0.434 nan 8.190 nan 0.000 0.455 523 K N -0.581 119.614 120.400 -0.341 0.000 2.209 523 K HA -0.211 4.108 4.320 -0.000 0.000 0.204 523 K C 1.921 178.325 176.600 -0.326 0.000 1.048 523 K CA 2.021 58.098 56.287 -0.350 0.000 0.940 523 K CB -0.538 31.694 32.500 -0.446 0.000 0.729 523 K HN 0.468 nan 8.250 nan 0.000 0.451 524 Y N 2.512 122.653 120.300 -0.264 0.000 2.561 524 Y HA -0.033 4.517 4.550 -0.001 0.000 0.291 524 Y C 2.433 178.261 175.900 -0.120 0.000 1.141 524 Y CA 0.992 58.924 58.100 -0.279 0.000 1.303 524 Y CB -0.640 37.332 38.460 -0.813 0.000 1.015 524 Y HN 0.316 nan 8.280 nan 0.000 0.547 525 T N -3.351 111.238 114.554 0.058 0.000 3.113 525 T HA 0.096 4.446 4.350 -0.000 0.000 0.263 525 T C 1.885 176.622 174.700 0.061 0.000 1.143 525 T CA 0.649 62.814 62.100 0.108 0.000 1.090 525 T CB -0.267 68.678 68.868 0.128 0.000 0.922 525 T HN 0.259 nan 8.240 nan 0.000 0.521 526 A N 1.565 124.417 122.820 0.052 0.000 2.208 526 A HA 0.164 4.484 4.320 -0.000 0.000 0.209 526 A C 1.204 178.814 177.584 0.043 0.000 1.161 526 A CA -0.064 52.005 52.037 0.052 0.000 0.782 526 A CB -0.361 18.679 19.000 0.067 0.000 0.816 526 A HN 0.592 nan 8.150 nan 0.000 0.477 527 N N 0.108 118.815 118.700 0.012 0.000 2.426 527 N HA 0.210 4.950 4.740 -0.000 0.000 0.275 527 N C -2.273 173.185 175.510 -0.087 0.000 1.019 527 N CA -1.594 51.380 53.050 -0.127 0.000 0.941 527 N CB 1.715 39.913 38.487 -0.482 0.000 1.123 527 N HN -0.158 nan 8.380 nan 0.000 0.486 528 P HA -0.166 nan 4.420 nan 0.000 0.215 528 P C 0.978 178.255 177.300 -0.038 0.000 1.157 528 P CA 1.300 64.377 63.100 -0.039 0.000 0.874 528 P CB 0.327 32.006 31.700 -0.034 0.000 0.790 529 E N -0.583 119.572 120.200 -0.076 0.000 2.072 529 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 529 E C 1.888 178.478 176.600 -0.017 0.000 0.985 529 E CA 1.106 57.473 56.400 -0.055 0.000 0.801 529 E CB -0.450 29.199 29.700 -0.085 0.000 0.750 529 E HN 0.075 nan 8.360 nan 0.000 0.452 530 A N 0.921 123.721 122.820 -0.034 0.000 2.066 530 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 530 A C 2.295 179.997 177.584 0.197 0.000 1.157 530 A CA 1.216 53.300 52.037 0.078 0.000 0.670 530 A CB -0.452 18.570 19.000 0.037 0.000 0.804 530 A HN 0.386 nan 8.150 nan 0.000 0.453 531 A N 1.553 124.450 122.820 0.129 0.000 1.917 531 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 531 A C 2.066 179.743 177.584 0.156 0.000 1.182 531 A CA 2.101 54.235 52.037 0.162 0.000 0.633 531 A CB -0.584 18.468 19.000 0.087 0.000 0.819 531 A HN 0.737 nan 8.150 nan 0.000 0.448 532 K N -0.133 120.327 120.400 0.100 0.000 2.362 532 K HA 0.063 4.382 4.320 -0.000 0.000 0.200 532 K C 1.481 178.116 176.600 0.059 0.000 1.046 532 K CA 1.196 57.520 56.287 0.062 0.000 0.952 532 K CB -0.466 32.054 32.500 0.034 0.000 0.753 532 K HN 0.441 nan 8.250 nan 0.000 0.466 533 L N 2.084 123.381 121.223 0.123 0.000 2.362 533 L HA -0.121 4.218 4.340 -0.000 0.000 0.219 533 L C 2.321 179.144 176.870 -0.080 0.000 1.134 533 L CA 0.485 55.375 54.840 0.083 0.000 0.807 533 L CB -0.482 41.719 42.059 0.237 0.000 0.927 533 L HN 0.178 nan 8.230 nan 0.000 0.447 534 V N -3.086 116.787 119.914 -0.068 0.000 2.688 534 V HA -0.135 3.985 4.120 -0.000 0.000 0.256 534 V C 2.291 178.235 176.094 -0.249 0.000 1.084 534 V CA 1.741 63.922 62.300 -0.197 0.000 1.103 534 V CB -1.667 30.137 31.823 -0.032 0.000 0.688 534 V HN 0.401 nan 8.190 nan 0.000 0.480 535 G N -0.130 108.576 108.800 -0.157 0.000 2.470 535 G HA2 0.012 3.972 3.960 -0.000 0.000 0.220 535 G HA3 0.012 3.972 3.960 -0.000 0.000 0.220 535 G C 1.493 176.264 174.900 -0.214 0.000 1.121 535 G CA 0.853 45.860 45.100 -0.154 0.000 0.766 535 G HN 0.904 nan 8.290 nan 0.000 0.553 536 A N 0.000 122.656 122.820 -0.273 0.000 2.220 536 A HA 0.576 4.896 4.320 -0.000 0.000 0.211 536 A C 1.594 178.806 177.584 -0.620 0.000 1.176 536 A CA 0.813 52.673 52.037 -0.296 0.000 0.834 536 A CB -0.073 18.840 19.000 -0.143 0.000 0.868 536 A HN 0.496 nan 8.150 nan 0.000 0.488 537 G N 0.400 108.536 108.800 -1.108 0.000 2.563 537 G HA2 0.460 4.420 3.960 -0.000 0.000 0.283 537 G HA3 0.460 4.420 3.960 -0.000 0.000 0.283 537 G C -2.524 171.861 174.900 -0.858 0.000 1.309 537 G CA -1.351 42.677 45.100 -1.786 0.000 1.022 537 G HN 0.149 nan 8.290 nan 0.000 0.501 538 P HA 0.123 nan 4.420 nan 0.000 0.265 538 P C -0.250 176.753 177.300 -0.494 0.000 1.187 538 P CA -0.048 62.607 63.100 -0.743 0.000 0.766 538 P CB 0.573 31.609 31.700 -1.105 0.000 0.820 539 K N 0.000 120.158 120.400 -0.403 0.000 2.780 539 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 539 K CA 0.000 56.139 56.287 -0.247 0.000 0.838 539 K CB 0.000 32.377 32.500 -0.205 0.000 1.064 539 K HN 0.000 nan 8.250 nan 0.000 0.543