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 3dw8_1_D DATA FIRST_RESID 8 DATA SEQUENCE MSLYPIAVLI DELRNEDVQL RLNSIKKLST IALALGVERT RSELLPFLTD DATA SEQUENCE TIYDEDEVLL ALAEQLGTFT TLVGGPEYVH CLLPPLESLA TVEETVVRDK DATA SEQUENCE AVESLRAISH EHSPSDLEAH FVPLVKRLAG GDWFTSRTSA CGLFSVCYPR DATA SEQUENCE VSSAVKAELR QYFRNLCSDD TPMVRRAAAS KLGEFAKVLE LDNVKSEIIP DATA SEQUENCE MFSNLASDEQ DSVRLLAVEA CVNIAQLLPQ EDLEALVMPT LRQAAEDKSW DATA SEQUENCE RVRYMVADKF TELQKAVGPE ITKTDLVPAF QNLMKDCEAE VRAAASHKVK DATA SEQUENCE EFCENLSADC RENVIMSQIL PCIKELVSDA NQHVKSALAS VIMGLSPILG DATA SEQUENCE KDNTIEHLLP LFLAQLKDEC PEVRLNIISN LDCVNEVIGI RQLSQSLLPA DATA SEQUENCE IVELAEDAKW RVRLAIIEYM PLLAGQLGVE FFDEKLNSLC MAWLVDHVYA DATA SEQUENCE IREAATSNLK KLVEKFGKEW AHATIIPKVL AMSGDPNYLH RMTTLFCINV DATA SEQUENCE LSEVCGQDIT TKHMLPTVLR MAGDPVANVR FNVAKSLQKI GPILDNSTLQ DATA SEQUENCE SEVKPILEKL TQDQDVDVKY FAQEALTVLS LA 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 8 M HA 0.000 nan 4.480 nan 0.000 0.227 8 M C 0.000 176.308 176.300 0.013 0.000 1.140 8 M CA 0.000 55.303 55.300 0.005 0.000 0.988 8 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 9 S N 3.103 118.818 115.700 0.024 0.000 2.531 9 S HA 0.321 4.789 4.470 -0.002 0.000 0.279 9 S C 1.355 175.984 174.600 0.048 0.000 1.305 9 S CA -0.680 57.544 58.200 0.040 0.000 1.058 9 S CB 0.710 63.942 63.200 0.055 0.000 0.899 9 S HN 0.661 nan 8.310 nan 0.000 0.493 10 L N 1.631 122.882 121.223 0.047 0.000 2.042 10 L HA -0.170 4.168 4.340 -0.002 0.000 0.210 10 L C 2.254 179.148 176.870 0.041 0.000 1.076 10 L CA 1.659 56.519 54.840 0.033 0.000 0.749 10 L CB -0.747 41.328 42.059 0.027 0.000 0.893 10 L HN 0.732 nan 8.230 nan 0.000 0.432 11 Y N 1.815 122.108 120.300 -0.011 0.000 2.030 11 Y HA -0.255 4.295 4.550 -0.000 0.000 0.272 11 Y C -0.289 175.606 175.900 -0.010 0.000 1.185 11 Y CA 2.374 60.468 58.100 -0.011 0.000 1.120 11 Y CB -1.629 36.826 38.460 -0.009 0.000 0.955 11 Y HN 0.121 nan 8.280 nan 0.000 0.495 12 P HA -0.176 nan 4.420 nan 0.000 0.219 12 P C 1.468 178.704 177.300 -0.107 0.000 1.146 12 P CA 1.980 65.059 63.100 -0.035 0.000 0.808 12 P CB -0.086 31.651 31.700 0.062 0.000 0.779 13 I N -1.687 118.829 120.570 -0.091 0.000 2.852 13 I HA -0.030 4.139 4.170 -0.002 0.000 0.264 13 I C 2.106 178.151 176.117 -0.120 0.000 1.179 13 I CA 0.569 61.821 61.300 -0.081 0.000 1.480 13 I CB -0.349 37.625 38.000 -0.044 0.000 1.111 13 I HN -0.100 nan 8.210 nan 0.000 0.441 14 A N 0.511 123.226 122.820 -0.176 0.000 1.968 14 A HA -0.085 4.233 4.320 -0.002 0.000 0.217 14 A C 2.363 179.806 177.584 -0.236 0.000 1.169 14 A CA 1.105 53.029 52.037 -0.190 0.000 0.638 14 A CB -0.587 18.293 19.000 -0.201 0.000 0.812 14 A HN 0.205 nan 8.150 nan 0.000 0.446 15 V N -0.402 119.313 119.914 -0.332 0.000 2.270 15 V HA -0.199 3.919 4.120 -0.002 0.000 0.245 15 V C 2.461 178.465 176.094 -0.150 0.000 1.043 15 V CA 1.785 63.913 62.300 -0.287 0.000 1.014 15 V CB -0.687 30.935 31.823 -0.335 0.000 0.645 15 V HN 0.492 nan 8.190 nan 0.000 0.447 16 L N -0.464 120.688 121.223 -0.118 0.000 2.043 16 L HA -0.194 4.145 4.340 -0.002 0.000 0.212 16 L C 2.138 178.976 176.870 -0.053 0.000 1.075 16 L CA 1.906 56.708 54.840 -0.063 0.000 0.752 16 L CB -0.663 41.370 42.059 -0.044 0.000 0.891 16 L HN 0.231 nan 8.230 nan 0.000 0.432 17 I N -0.868 119.656 120.570 -0.076 0.000 2.113 17 I HA -0.329 3.839 4.170 -0.002 0.000 0.238 17 I C 2.102 178.166 176.117 -0.088 0.000 1.070 17 I CA 1.520 62.771 61.300 -0.082 0.000 1.332 17 I CB -0.448 37.483 38.000 -0.113 0.000 1.044 17 I HN 0.227 nan 8.210 nan 0.000 0.402 18 D N 0.564 120.902 120.400 -0.103 0.000 2.172 18 D HA -0.250 4.389 4.640 -0.002 0.000 0.196 18 D C 2.026 178.299 176.300 -0.045 0.000 0.999 18 D CA 1.275 55.224 54.000 -0.085 0.000 0.856 18 D CB -0.212 40.532 40.800 -0.092 0.000 0.934 18 D HN 0.223 nan 8.370 nan 0.000 0.453 19 E N -0.218 119.958 120.200 -0.040 0.000 2.204 19 E HA -0.060 4.289 4.350 -0.002 0.000 0.195 19 E C 2.080 178.686 176.600 0.010 0.000 0.990 19 E CA 0.223 56.613 56.400 -0.017 0.000 0.821 19 E CB -0.168 29.519 29.700 -0.021 0.000 0.750 19 E HN 0.319 nan 8.360 nan 0.000 0.477 20 L N 0.265 121.508 121.223 0.032 0.000 2.127 20 L HA -0.171 4.167 4.340 -0.002 0.000 0.211 20 L C 1.675 178.624 176.870 0.131 0.000 1.089 20 L CA 1.526 56.430 54.840 0.106 0.000 0.757 20 L CB -0.304 41.887 42.059 0.220 0.000 0.899 20 L HN 0.171 nan 8.230 nan 0.000 0.434 21 R N -0.849 119.715 120.500 0.107 0.000 2.791 21 R HA 0.204 4.543 4.340 -0.002 0.000 0.357 21 R C 0.015 176.342 176.300 0.044 0.000 1.173 21 R CA -0.320 55.846 56.100 0.109 0.000 1.060 21 R CB -0.274 30.110 30.300 0.140 0.000 1.406 21 R HN 0.082 nan 8.270 nan 0.000 0.580 22 N N 0.247 118.959 118.700 0.019 0.000 2.477 22 N HA 0.086 4.825 4.740 -0.002 0.000 0.284 22 N C 0.529 176.039 175.510 -0.000 0.000 1.182 22 N CA -0.539 52.516 53.050 0.007 0.000 0.949 22 N CB 1.478 39.965 38.487 -0.000 0.000 1.204 22 N HN -0.044 nan 8.380 nan 0.000 0.526 23 E N -0.076 120.125 120.200 0.002 0.000 2.015 23 E HA -0.109 4.239 4.350 -0.002 0.000 0.191 23 E C -0.364 176.231 176.600 -0.007 0.000 0.991 23 E CA 0.882 57.281 56.400 -0.001 0.000 0.802 23 E CB -0.634 29.069 29.700 0.004 0.000 0.759 23 E HN 0.673 nan 8.360 nan 0.000 0.447 24 D N 0.891 121.288 120.400 -0.005 0.000 2.586 24 D HA -0.081 4.558 4.640 -0.002 0.000 0.234 24 D C 1.138 177.430 176.300 -0.013 0.000 1.132 24 D CA 0.080 54.076 54.000 -0.007 0.000 0.860 24 D CB 1.071 41.869 40.800 -0.004 0.000 1.159 24 D HN -0.245 nan 8.370 nan 0.000 0.490 25 V N 4.244 124.149 119.914 -0.016 0.000 2.667 25 V HA -0.247 3.872 4.120 -0.002 0.000 0.252 25 V C 2.240 178.323 176.094 -0.019 0.000 1.065 25 V CA 1.573 63.859 62.300 -0.023 0.000 1.083 25 V CB -0.533 31.275 31.823 -0.024 0.000 0.692 25 V HN 0.541 nan 8.190 nan 0.000 0.468 26 Q N 0.122 119.915 119.800 -0.012 0.000 2.224 26 Q HA -0.029 4.309 4.340 -0.002 0.000 0.203 26 Q C 2.114 178.110 176.000 -0.007 0.000 0.970 26 Q CA 1.326 57.124 55.803 -0.008 0.000 0.865 26 Q CB -0.279 28.457 28.738 -0.004 0.000 0.922 26 Q HN 0.542 nan 8.270 nan 0.000 0.445 27 L N -0.366 120.853 121.223 -0.007 0.000 2.068 27 L HA -0.017 4.322 4.340 -0.002 0.000 0.204 27 L C 2.457 179.322 176.870 -0.008 0.000 1.076 27 L CA 0.898 55.734 54.840 -0.006 0.000 0.753 27 L CB -0.362 41.694 42.059 -0.005 0.000 0.910 27 L HN 0.113 nan 8.230 nan 0.000 0.439 28 R N 0.211 120.703 120.500 -0.013 0.000 2.105 28 R HA -0.194 4.144 4.340 -0.002 0.000 0.239 28 R C 2.217 178.505 176.300 -0.020 0.000 1.135 28 R CA 1.294 57.383 56.100 -0.018 0.000 0.967 28 R CB -0.242 30.035 30.300 -0.037 0.000 0.861 28 R HN 0.153 nan 8.270 nan 0.000 0.442 29 L N 0.844 122.056 121.223 -0.020 0.000 2.156 29 L HA -0.092 4.247 4.340 -0.002 0.000 0.208 29 L C 1.671 178.537 176.870 -0.006 0.000 1.095 29 L CA 1.649 56.478 54.840 -0.017 0.000 0.770 29 L CB -0.545 41.504 42.059 -0.016 0.000 0.914 29 L HN 0.134 nan 8.230 nan 0.000 0.439 30 N N -0.836 117.863 118.700 -0.003 0.000 2.135 30 N HA -0.135 4.604 4.740 -0.002 0.000 0.186 30 N C 1.852 177.367 175.510 0.009 0.000 1.027 30 N CA 1.554 54.606 53.050 0.004 0.000 0.849 30 N CB -0.048 38.441 38.487 0.003 0.000 1.002 30 N HN 0.343 nan 8.380 nan 0.000 0.425 31 S N 0.817 116.522 115.700 0.008 0.000 2.382 31 S HA -0.033 4.436 4.470 -0.002 0.000 0.228 31 S C 1.948 176.565 174.600 0.029 0.000 1.027 31 S CA 0.489 58.700 58.200 0.017 0.000 0.991 31 S CB -0.035 63.175 63.200 0.017 0.000 0.823 31 S HN 0.287 nan 8.310 nan 0.000 0.469 32 I N 1.831 122.410 120.570 0.015 0.000 2.179 32 I HA -0.121 4.047 4.170 -0.002 0.000 0.242 32 I C 1.869 178.002 176.117 0.026 0.000 1.088 32 I CA 1.458 62.764 61.300 0.009 0.000 1.357 32 I CB -0.949 37.039 38.000 -0.020 0.000 1.051 32 I HN 0.304 nan 8.210 nan 0.000 0.409 33 K N 0.585 120.998 120.400 0.022 0.000 2.555 33 K HA -0.073 4.246 4.320 -0.002 0.000 0.193 33 K C 0.867 177.496 176.600 0.048 0.000 1.032 33 K CA 0.491 56.798 56.287 0.033 0.000 1.004 33 K CB 0.174 32.687 32.500 0.021 0.000 0.804 33 K HN 0.114 nan 8.250 nan 0.000 0.496 34 K N 0.613 121.044 120.400 0.052 0.000 2.618 34 K HA 0.124 4.442 4.320 -0.002 0.000 0.207 34 K C 0.820 177.469 176.600 0.081 0.000 1.058 34 K CA -0.115 56.204 56.287 0.053 0.000 1.086 34 K CB 0.589 33.107 32.500 0.030 0.000 0.827 34 K HN 0.008 nan 8.250 nan 0.000 0.481 35 L N 0.876 122.179 121.223 0.135 0.000 2.083 35 L HA -0.083 4.255 4.340 -0.002 0.000 0.209 35 L C 1.781 178.805 176.870 0.256 0.000 1.083 35 L CA 1.619 56.602 54.840 0.238 0.000 0.752 35 L CB -1.034 41.206 42.059 0.303 0.000 0.899 35 L HN 0.079 nan 8.230 nan 0.000 0.433 36 S N -0.848 114.958 115.700 0.177 0.000 2.370 36 S HA -0.210 4.259 4.470 -0.002 0.000 0.226 36 S C 1.949 176.513 174.600 -0.060 0.000 1.033 36 S CA 1.829 60.004 58.200 -0.041 0.000 1.011 36 S CB -0.455 62.735 63.200 -0.017 0.000 0.852 36 S HN 0.694 nan 8.310 nan 0.000 0.457 37 T N 0.628 115.179 114.554 -0.004 0.000 2.995 37 T HA 0.119 4.467 4.350 -0.002 0.000 0.269 37 T C 1.629 176.322 174.700 -0.012 0.000 1.091 37 T CA 0.629 62.721 62.100 -0.014 0.000 1.128 37 T CB -0.481 68.387 68.868 -0.000 0.000 0.891 37 T HN 0.355 nan 8.240 nan 0.000 0.492 38 I N 1.298 121.876 120.570 0.014 0.000 2.235 38 I HA 0.084 4.253 4.170 -0.002 0.000 0.241 38 I C 3.214 179.330 176.117 -0.001 0.000 1.085 38 I CA 0.928 62.237 61.300 0.015 0.000 1.378 38 I CB -0.647 37.384 38.000 0.052 0.000 1.076 38 I HN 0.330 nan 8.210 nan 0.000 0.415 39 A N 1.099 123.917 122.820 -0.003 0.000 1.908 39 A HA -0.192 4.126 4.320 -0.002 0.000 0.218 39 A C 2.332 179.850 177.584 -0.109 0.000 1.181 39 A CA 1.333 53.328 52.037 -0.070 0.000 0.627 39 A CB -0.774 18.067 19.000 -0.265 0.000 0.818 39 A HN 0.343 nan 8.150 nan 0.000 0.445 40 L N -0.439 120.715 121.223 -0.115 0.000 1.989 40 L HA -0.205 4.133 4.340 -0.002 0.000 0.211 40 L C 2.937 179.769 176.870 -0.063 0.000 1.071 40 L CA 2.436 57.218 54.840 -0.096 0.000 0.749 40 L CB -1.464 40.547 42.059 -0.079 0.000 0.890 40 L HN 0.449 nan 8.230 nan 0.000 0.431 41 A N -0.324 122.468 122.820 -0.047 0.000 1.908 41 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 41 A C 1.432 178.993 177.584 -0.037 0.000 1.181 41 A CA 0.742 52.758 52.037 -0.036 0.000 0.627 41 A CB -0.422 18.561 19.000 -0.029 0.000 0.818 41 A HN 0.308 nan 8.150 nan 0.000 0.445 42 L N -1.759 119.440 121.223 -0.039 0.000 2.464 42 L HA 0.271 4.609 4.340 -0.002 0.000 0.224 42 L C 1.935 178.776 176.870 -0.047 0.000 1.219 42 L CA 0.840 55.657 54.840 -0.038 0.000 0.831 42 L CB -1.090 40.951 42.059 -0.030 0.000 1.284 42 L HN 0.365 nan 8.230 nan 0.000 0.522 43 G N -0.272 108.499 108.800 -0.049 0.000 2.611 43 G HA2 0.134 4.092 3.960 -0.002 0.000 0.147 43 G HA3 0.134 4.092 3.960 -0.002 0.000 0.147 43 G C 0.686 175.541 174.900 -0.076 0.000 1.798 43 G CA 0.988 46.053 45.100 -0.058 0.000 0.973 43 G HN 0.474 nan 8.290 nan 0.000 0.416 44 V N -1.761 118.096 119.914 -0.095 0.000 3.487 44 V HA 0.186 4.305 4.120 -0.002 0.000 0.263 44 V C 1.516 177.509 176.094 -0.168 0.000 1.722 44 V CA 1.069 63.295 62.300 -0.123 0.000 1.066 44 V CB 0.335 32.088 31.823 -0.117 0.000 0.905 44 V HN 0.529 nan 8.190 nan 0.000 0.387 45 E N 0.041 120.156 120.200 -0.143 0.000 2.162 45 E HA 0.216 4.565 4.350 -0.002 0.000 0.193 45 E C 2.124 178.662 176.600 -0.104 0.000 0.953 45 E CA 0.450 56.754 56.400 -0.160 0.000 0.849 45 E CB -0.100 29.528 29.700 -0.120 0.000 0.810 45 E HN 0.334 nan 8.360 nan 0.000 0.470 46 R N 0.447 120.903 120.500 -0.072 0.000 2.090 46 R HA 0.039 4.377 4.340 -0.002 0.000 0.228 46 R C 1.996 178.279 176.300 -0.029 0.000 1.110 46 R CA 1.449 57.522 56.100 -0.045 0.000 0.973 46 R CB -0.459 29.818 30.300 -0.039 0.000 0.869 46 R HN 0.173 nan 8.270 nan 0.000 0.440 47 T N 0.726 115.260 114.554 -0.034 0.000 2.720 47 T HA -0.151 4.198 4.350 -0.002 0.000 0.268 47 T C 1.858 176.570 174.700 0.021 0.000 1.037 47 T CA 1.276 63.381 62.100 0.009 0.000 1.144 47 T CB -0.081 68.778 68.868 -0.015 0.000 0.864 47 T HN 0.266 nan 8.240 nan 0.000 0.444 48 R N 0.766 121.242 120.500 -0.040 0.000 2.073 48 R HA -0.035 4.304 4.340 -0.002 0.000 0.229 48 R C 2.538 178.823 176.300 -0.025 0.000 1.120 48 R CA 1.633 57.700 56.100 -0.053 0.000 0.967 48 R CB -0.094 30.113 30.300 -0.154 0.000 0.862 48 R HN 0.438 nan 8.270 nan 0.000 0.436 49 S N -1.173 114.511 115.700 -0.027 0.000 2.540 49 S HA 0.166 4.635 4.470 -0.002 0.000 0.218 49 S C 0.933 175.538 174.600 0.009 0.000 0.977 49 S CA -0.234 57.961 58.200 -0.008 0.000 0.918 49 S CB 0.570 63.758 63.200 -0.019 0.000 0.806 49 S HN 0.262 nan 8.310 nan 0.000 0.496 50 E N -0.016 120.194 120.200 0.017 0.000 3.701 50 E HA 0.237 4.586 4.350 -0.002 0.000 0.206 50 E C 1.304 177.943 176.600 0.065 0.000 1.229 50 E CA 0.093 56.508 56.400 0.025 0.000 1.573 50 E CB -0.386 29.310 29.700 -0.007 0.000 1.449 50 E HN 0.262 nan 8.360 nan 0.000 0.618 51 L N 2.074 123.339 121.223 0.069 0.000 2.131 51 L HA -0.058 4.280 4.340 -0.002 0.000 0.210 51 L C 1.966 178.932 176.870 0.161 0.000 1.092 51 L CA 1.406 56.323 54.840 0.128 0.000 0.759 51 L CB -0.200 41.938 42.059 0.133 0.000 0.903 51 L HN 0.132 nan 8.230 nan 0.000 0.435 52 L N -0.618 120.671 121.223 0.110 0.000 2.044 52 L HA -0.086 4.253 4.340 -0.002 0.000 0.205 52 L C -0.087 176.822 176.870 0.065 0.000 1.075 52 L CA 1.093 55.977 54.840 0.073 0.000 0.747 52 L CB -1.740 40.349 42.059 0.050 0.000 0.903 52 L HN 0.228 nan 8.230 nan 0.000 0.435 53 P HA -0.202 nan 4.420 nan 0.000 0.218 53 P C 1.485 178.850 177.300 0.109 0.000 1.149 53 P CA 1.248 64.393 63.100 0.076 0.000 0.817 53 P CB -0.021 31.725 31.700 0.078 0.000 0.785 54 F N 0.154 120.105 119.950 0.001 0.000 2.134 54 F HA -0.107 4.418 4.527 -0.002 0.000 0.299 54 F C 1.732 177.530 175.800 -0.004 0.000 1.097 54 F CA 1.432 59.434 58.000 0.003 0.000 1.264 54 F CB -0.848 38.151 39.000 -0.001 0.000 1.001 54 F HN -0.241 nan 8.300 nan 0.000 0.479 55 L N -0.613 120.568 121.223 -0.071 0.000 2.552 55 L HA -0.097 4.242 4.340 -0.002 0.000 0.227 55 L C 1.917 178.695 176.870 -0.153 0.000 1.146 55 L CA 0.935 55.670 54.840 -0.174 0.000 0.858 55 L CB -0.825 41.185 42.059 -0.082 0.000 0.969 55 L HN 0.174 nan 8.230 nan 0.000 0.451 56 T N -1.331 113.165 114.554 -0.097 0.000 2.818 56 T HA -0.082 4.266 4.350 -0.002 0.000 0.246 56 T C 1.214 175.877 174.700 -0.061 0.000 1.036 56 T CA 0.955 63.017 62.100 -0.063 0.000 1.160 56 T CB -0.163 68.689 68.868 -0.026 0.000 0.869 56 T HN 0.219 nan 8.240 nan 0.000 0.419 57 D N 1.142 121.508 120.400 -0.056 0.000 2.156 57 D HA -0.161 4.477 4.640 -0.002 0.000 0.190 57 D C 2.159 178.461 176.300 0.003 0.000 0.998 57 D CA 1.963 55.947 54.000 -0.027 0.000 0.842 57 D CB -0.932 39.859 40.800 -0.015 0.000 0.974 57 D HN 0.353 nan 8.370 nan 0.000 0.447 58 T N 0.096 114.617 114.554 -0.054 0.000 2.067 58 T HA -0.356 3.992 4.350 -0.002 0.000 0.177 58 T C 1.347 176.141 174.700 0.157 0.000 1.812 58 T CA 2.594 64.721 62.100 0.045 0.000 1.130 58 T CB -0.799 67.842 68.868 -0.378 0.000 0.859 58 T HN 0.358 nan 8.240 nan 0.000 0.386 59 I N 0.778 121.316 120.570 -0.052 0.000 5.200 59 I HA -0.234 3.934 4.170 -0.002 0.000 0.126 59 I C -0.586 175.571 176.117 0.067 0.000 1.374 59 I CA 1.035 62.319 61.300 -0.028 0.000 2.633 59 I CB -1.599 36.385 38.000 -0.026 0.000 2.409 59 I HN 0.695 nan 8.210 nan 0.000 0.319 60 Y N -0.798 119.433 120.300 -0.115 0.000 2.294 60 Y HA 0.720 5.269 4.550 -0.002 0.000 0.329 60 Y C -0.696 175.151 175.900 -0.088 0.000 1.135 60 Y CA -0.996 57.044 58.100 -0.100 0.000 1.213 60 Y CB 0.894 39.295 38.460 -0.097 0.000 1.141 60 Y HN 0.056 nan 8.280 nan 0.000 0.446 61 D N 1.954 122.307 120.400 -0.077 0.000 4.945 61 D HA 0.159 4.798 4.640 -0.002 0.000 0.344 61 D C -1.022 175.243 176.300 -0.057 0.000 1.791 61 D CA -0.498 53.430 54.000 -0.120 0.000 0.995 61 D CB 0.400 41.084 40.800 -0.194 0.000 1.534 61 D HN 0.514 nan 8.370 nan 0.000 0.690 62 E N 0.357 120.518 120.200 -0.065 0.000 2.281 62 E HA 0.356 4.705 4.350 -0.002 0.000 0.262 62 E C -0.142 176.432 176.600 -0.044 0.000 0.933 62 E CA -0.465 55.908 56.400 -0.044 0.000 0.809 62 E CB 1.386 31.063 29.700 -0.038 0.000 1.242 62 E HN 0.074 nan 8.360 nan 0.000 0.418 63 D N 0.970 121.350 120.400 -0.034 0.000 2.286 63 D HA -0.282 4.357 4.640 -0.002 0.000 0.197 63 D C 1.488 177.769 176.300 -0.031 0.000 1.015 63 D CA 1.955 55.937 54.000 -0.030 0.000 0.871 63 D CB -0.124 40.664 40.800 -0.021 0.000 1.044 63 D HN 0.697 nan 8.370 nan 0.000 0.459 64 E N -0.252 119.932 120.200 -0.026 0.000 2.246 64 E HA -0.312 4.036 4.350 -0.002 0.000 0.232 64 E C 2.002 178.582 176.600 -0.032 0.000 1.087 64 E CA 2.637 59.023 56.400 -0.024 0.000 0.964 64 E CB -0.220 29.468 29.700 -0.021 0.000 0.827 64 E HN 0.123 nan 8.360 nan 0.000 0.476 65 V N 0.666 120.553 119.914 -0.044 0.000 2.223 65 V HA -0.290 3.829 4.120 -0.002 0.000 0.244 65 V C 2.508 178.562 176.094 -0.066 0.000 1.045 65 V CA 2.116 64.381 62.300 -0.059 0.000 1.000 65 V CB -0.683 31.090 31.823 -0.082 0.000 0.635 65 V HN 0.355 nan 8.190 nan 0.000 0.445 66 L N -0.660 120.520 121.223 -0.071 0.000 2.013 66 L HA -0.222 4.116 4.340 -0.002 0.000 0.212 66 L C 2.549 179.385 176.870 -0.056 0.000 1.073 66 L CA 1.520 56.318 54.840 -0.072 0.000 0.753 66 L CB -0.693 41.327 42.059 -0.065 0.000 0.890 66 L HN 0.358 nan 8.230 nan 0.000 0.432 67 L N 0.115 121.313 121.223 -0.041 0.000 2.127 67 L HA -0.187 4.152 4.340 -0.002 0.000 0.211 67 L C 2.487 179.341 176.870 -0.027 0.000 1.089 67 L CA 2.029 56.852 54.840 -0.028 0.000 0.757 67 L CB -0.603 41.445 42.059 -0.019 0.000 0.899 67 L HN 0.168 nan 8.230 nan 0.000 0.434 68 A N -1.240 121.561 122.820 -0.033 0.000 1.903 68 A HA -0.065 4.254 4.320 -0.002 0.000 0.213 68 A C 2.131 179.687 177.584 -0.047 0.000 1.185 68 A CA 1.141 53.161 52.037 -0.028 0.000 0.628 68 A CB -0.831 18.155 19.000 -0.023 0.000 0.830 68 A HN 0.409 nan 8.150 nan 0.000 0.446 69 L N 0.243 121.425 121.223 -0.069 0.000 2.043 69 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 69 L C 2.576 179.376 176.870 -0.117 0.000 1.075 69 L CA 2.349 57.125 54.840 -0.106 0.000 0.752 69 L CB -0.842 41.147 42.059 -0.116 0.000 0.891 69 L HN 0.355 nan 8.230 nan 0.000 0.432 70 A N -0.759 122.013 122.820 -0.081 0.000 1.845 70 A HA -0.282 4.036 4.320 -0.002 0.000 0.215 70 A C 2.340 179.895 177.584 -0.048 0.000 1.195 70 A CA 1.777 53.776 52.037 -0.063 0.000 0.616 70 A CB -0.932 18.046 19.000 -0.038 0.000 0.832 70 A HN 0.615 nan 8.150 nan 0.000 0.443 71 E N -0.992 119.193 120.200 -0.026 0.000 2.130 71 E HA -0.317 4.031 4.350 -0.002 0.000 0.196 71 E C 2.167 178.769 176.600 0.004 0.000 0.998 71 E CA 1.643 58.043 56.400 -0.001 0.000 0.806 71 E CB -0.098 29.608 29.700 0.008 0.000 0.738 71 E HN 0.615 nan 8.360 nan 0.000 0.459 72 Q N 0.613 120.396 119.800 -0.029 0.000 1.993 72 Q HA -0.120 4.219 4.340 -0.002 0.000 0.202 72 Q C 2.237 178.182 176.000 -0.092 0.000 0.984 72 Q CA 1.670 57.459 55.803 -0.025 0.000 0.837 72 Q CB -0.383 28.305 28.738 -0.083 0.000 0.902 72 Q HN 0.379 nan 8.270 nan 0.000 0.423 73 L N -0.386 120.670 121.223 -0.280 0.000 2.189 73 L HA -0.177 4.161 4.340 -0.002 0.000 0.214 73 L C 2.143 178.993 176.870 -0.034 0.000 1.097 73 L CA 1.080 55.724 54.840 -0.327 0.000 0.764 73 L CB -0.773 41.128 42.059 -0.263 0.000 0.900 73 L HN 0.431 nan 8.230 nan 0.000 0.436 74 G N -0.917 107.894 108.800 0.018 0.000 2.471 74 G HA2 -0.170 3.788 3.960 -0.002 0.000 0.219 74 G HA3 -0.170 3.788 3.960 -0.002 0.000 0.219 74 G C 0.954 175.930 174.900 0.126 0.000 1.125 74 G CA 1.004 46.150 45.100 0.076 0.000 0.775 74 G HN 0.444 nan 8.290 nan 0.000 0.548 75 T N -3.556 111.103 114.554 0.175 0.000 3.377 75 T HA 0.554 4.903 4.350 -0.002 0.000 0.270 75 T C -0.110 174.805 174.700 0.359 0.000 1.586 75 T CA -0.736 61.488 62.100 0.206 0.000 1.487 75 T CB 0.075 69.040 68.868 0.163 0.000 0.994 75 T HN -0.048 nan 8.240 nan 0.000 0.689 76 F N 0.323 120.290 119.950 0.029 0.000 2.856 76 F HA 0.263 4.788 4.527 -0.003 0.000 0.338 76 F C 2.037 177.849 175.800 0.020 0.000 1.100 76 F CA -0.662 57.350 58.000 0.020 0.000 1.150 76 F CB 0.325 39.336 39.000 0.017 0.000 1.101 76 F HN 0.266 nan 8.300 nan 0.000 0.548 77 T N -0.492 114.161 114.554 0.165 0.000 2.536 77 T HA -0.354 3.995 4.350 -0.002 0.000 0.263 77 T C 2.237 176.965 174.700 0.047 0.000 1.115 77 T CA 2.825 64.983 62.100 0.097 0.000 1.180 77 T CB -0.816 68.100 68.868 0.079 0.000 0.864 77 T HN 0.370 nan 8.240 nan 0.000 0.419 78 T N 1.498 116.061 114.554 0.016 0.000 2.788 78 T HA -0.026 4.323 4.350 -0.002 0.000 0.268 78 T C 1.971 176.637 174.700 -0.057 0.000 1.044 78 T CA 1.025 63.120 62.100 -0.009 0.000 1.139 78 T CB -0.669 68.190 68.868 -0.014 0.000 0.867 78 T HN 0.326 nan 8.240 nan 0.000 0.454 79 L N 0.551 121.690 121.223 -0.140 0.000 2.549 79 L HA 0.082 4.421 4.340 -0.002 0.000 0.230 79 L C 2.365 179.124 176.870 -0.185 0.000 1.162 79 L CA 0.492 55.175 54.840 -0.261 0.000 0.834 79 L CB -0.149 41.536 42.059 -0.624 0.000 0.947 79 L HN 0.255 nan 8.230 nan 0.000 0.452 80 V N -1.286 118.585 119.914 -0.072 0.000 3.528 80 V HA 0.351 4.469 4.120 -0.002 0.000 0.294 80 V C 1.133 177.197 176.094 -0.050 0.000 1.404 80 V CA 0.805 63.082 62.300 -0.037 0.000 1.065 80 V CB 0.660 32.516 31.823 0.055 0.000 0.904 80 V HN 0.543 nan 8.190 nan 0.000 0.435 81 G N -0.576 108.236 108.800 0.021 0.000 2.157 81 G HA2 0.233 4.192 3.960 -0.002 0.000 0.118 81 G HA3 0.233 4.192 3.960 -0.002 0.000 0.118 81 G C 0.841 175.887 174.900 0.244 0.000 1.032 81 G CA 0.071 45.259 45.100 0.147 0.000 0.697 81 G HN 1.738 nan 8.290 nan 0.000 0.495 82 G N -0.537 108.334 108.800 0.117 0.000 2.877 82 G HA2 0.061 4.019 3.960 -0.002 0.000 0.279 82 G HA3 0.061 4.019 3.960 -0.002 0.000 0.279 82 G C -0.739 174.192 174.900 0.052 0.000 1.431 82 G CA 0.180 45.324 45.100 0.074 0.000 0.883 82 G HN 0.597 nan 8.290 nan 0.000 0.547 83 P HA -0.117 nan 4.420 nan 0.000 0.218 83 P C 1.507 178.760 177.300 -0.080 0.000 1.150 83 P CA 1.960 65.034 63.100 -0.044 0.000 0.841 83 P CB 0.015 31.697 31.700 -0.030 0.000 0.784 84 E N -1.905 118.216 120.200 -0.131 0.000 2.338 84 E HA -0.188 4.161 4.350 -0.002 0.000 0.197 84 E C 0.658 176.991 176.600 -0.444 0.000 1.007 84 E CA 0.971 57.191 56.400 -0.299 0.000 0.849 84 E CB -0.227 29.195 29.700 -0.463 0.000 0.774 84 E HN 0.310 nan 8.360 nan 0.000 0.506 85 Y N -1.667 118.615 120.300 -0.029 0.000 2.471 85 Y HA 0.161 4.709 4.550 -0.002 0.000 0.249 85 Y C 1.633 177.369 175.900 -0.273 0.000 1.116 85 Y CA -0.211 57.783 58.100 -0.177 0.000 1.240 85 Y CB 0.453 38.836 38.460 -0.127 0.000 1.251 85 Y HN -0.069 nan 8.280 nan 0.000 0.527 86 V N 1.456 121.342 119.914 -0.046 0.000 2.511 86 V HA -0.377 3.741 4.120 -0.002 0.000 0.257 86 V C 2.220 178.294 176.094 -0.034 0.000 1.088 86 V CA 2.922 65.177 62.300 -0.075 0.000 1.098 86 V CB -0.425 31.276 31.823 -0.204 0.000 0.674 86 V HN 0.768 nan 8.190 nan 0.000 0.470 87 H N -2.742 116.342 119.070 0.023 0.000 2.545 87 H HA -0.075 4.480 4.556 -0.002 0.000 0.282 87 H C 2.028 177.394 175.328 0.063 0.000 1.020 87 H CA 1.455 57.601 56.048 0.162 0.000 1.243 87 H CB -1.234 28.619 29.762 0.152 0.000 1.377 87 H HN 0.480 nan 8.280 nan 0.000 0.581 88 C N 0.598 119.734 119.300 -0.273 0.000 2.437 88 C HA 0.013 4.472 4.460 -0.002 0.000 0.283 88 C C 2.407 177.386 174.990 -0.019 0.000 1.424 88 C CA 0.479 59.411 59.018 -0.143 0.000 1.782 88 C CB -1.032 26.629 27.740 -0.133 0.000 1.833 88 C HN 0.641 nan 8.230 nan 0.000 0.532 89 L N 0.049 121.289 121.223 0.028 0.000 2.492 89 L HA 0.029 4.367 4.340 -0.002 0.000 0.223 89 L C 2.259 179.153 176.870 0.040 0.000 1.132 89 L CA 0.546 55.414 54.840 0.046 0.000 0.850 89 L CB -0.366 41.746 42.059 0.088 0.000 0.966 89 L HN 0.418 nan 8.230 nan 0.000 0.454 90 L N 0.070 121.329 121.223 0.060 0.000 2.027 90 L HA -0.123 4.216 4.340 -0.002 0.000 0.206 90 L C -0.108 176.746 176.870 -0.027 0.000 1.074 90 L CA 1.339 56.189 54.840 0.016 0.000 0.745 90 L CB -1.917 40.151 42.059 0.015 0.000 0.898 90 L HN 0.208 nan 8.230 nan 0.000 0.433 91 P HA -0.153 nan 4.420 nan 0.000 0.214 91 P C -1.341 175.940 177.300 -0.032 0.000 1.163 91 P CA 1.777 64.861 63.100 -0.026 0.000 0.889 91 P CB -1.151 30.540 31.700 -0.015 0.000 0.790 92 P HA -0.114 nan 4.420 nan 0.000 0.217 92 P C 1.657 178.925 177.300 -0.053 0.000 1.150 92 P CA 1.434 64.502 63.100 -0.053 0.000 0.832 92 P CB -0.405 31.249 31.700 -0.076 0.000 0.787 93 L N -0.237 120.958 121.223 -0.047 0.000 2.109 93 L HA -0.102 4.237 4.340 -0.002 0.000 0.207 93 L C 2.893 179.737 176.870 -0.043 0.000 1.086 93 L CA 1.328 56.143 54.840 -0.041 0.000 0.760 93 L CB -0.865 41.180 42.059 -0.022 0.000 0.910 93 L HN 0.009 nan 8.230 nan 0.000 0.437 94 E N -0.446 119.722 120.200 -0.054 0.000 2.110 94 E HA -0.254 4.094 4.350 -0.002 0.000 0.193 94 E C 2.325 178.911 176.600 -0.023 0.000 0.988 94 E CA 1.427 57.792 56.400 -0.058 0.000 0.804 94 E CB 0.067 29.724 29.700 -0.072 0.000 0.745 94 E HN 0.302 nan 8.360 nan 0.000 0.458 95 S N -0.058 115.632 115.700 -0.017 0.000 2.355 95 S HA -0.086 4.383 4.470 -0.002 0.000 0.222 95 S C 1.958 176.554 174.600 -0.007 0.000 1.031 95 S CA 0.866 59.068 58.200 0.003 0.000 0.993 95 S CB -0.242 62.956 63.200 -0.005 0.000 0.859 95 S HN 0.331 nan 8.310 nan 0.000 0.453 96 L N 1.207 122.414 121.223 -0.026 0.000 2.265 96 L HA -0.019 4.320 4.340 -0.002 0.000 0.215 96 L C 2.571 179.427 176.870 -0.023 0.000 1.117 96 L CA 0.948 55.769 54.840 -0.032 0.000 0.782 96 L CB -0.504 41.530 42.059 -0.041 0.000 0.914 96 L HN 0.409 nan 8.230 nan 0.000 0.441 97 A N -1.133 121.678 122.820 -0.014 0.000 2.235 97 A HA -0.037 4.282 4.320 -0.002 0.000 0.208 97 A C 2.049 179.638 177.584 0.007 0.000 1.172 97 A CA 1.280 53.314 52.037 -0.005 0.000 0.786 97 A CB -0.461 18.532 19.000 -0.012 0.000 0.804 97 A HN 0.349 nan 8.150 nan 0.000 0.479 98 T N -0.884 113.675 114.554 0.009 0.000 3.015 98 T HA 0.162 4.510 4.350 -0.002 0.000 0.250 98 T C 0.740 175.397 174.700 -0.072 0.000 1.057 98 T CA 0.031 62.146 62.100 0.026 0.000 1.066 98 T CB -0.120 68.823 68.868 0.125 0.000 0.959 98 T HN 0.074 nan 8.240 nan 0.000 0.488 99 V N 3.253 123.120 119.914 -0.078 0.000 3.098 99 V HA -0.108 4.011 4.120 -0.002 0.000 0.298 99 V C 1.529 177.541 176.094 -0.137 0.000 1.200 99 V CA 0.666 62.900 62.300 -0.111 0.000 1.321 99 V CB 0.339 32.118 31.823 -0.072 0.000 0.947 99 V HN 0.515 nan 8.190 nan 0.000 0.513 100 E N 1.364 121.471 120.200 -0.155 0.000 2.158 100 E HA -0.046 4.302 4.350 -0.002 0.000 0.191 100 E C 0.682 177.231 176.600 -0.086 0.000 0.982 100 E CA 0.344 56.650 56.400 -0.156 0.000 0.823 100 E CB -0.116 29.492 29.700 -0.152 0.000 0.766 100 E HN 0.577 nan 8.360 nan 0.000 0.468 101 E N 1.594 121.756 120.200 -0.063 0.000 2.238 101 E HA -0.032 4.317 4.350 -0.002 0.000 0.264 101 E C 0.841 177.430 176.600 -0.019 0.000 1.136 101 E CA 0.305 56.685 56.400 -0.034 0.000 0.929 101 E CB 0.777 30.458 29.700 -0.032 0.000 1.010 101 E HN 0.348 nan 8.360 nan 0.000 0.440 102 T N -0.204 114.350 114.554 -0.001 0.000 2.897 102 T HA -0.148 4.200 4.350 -0.002 0.000 0.271 102 T C 1.684 176.393 174.700 0.015 0.000 1.084 102 T CA 1.146 63.256 62.100 0.017 0.000 1.123 102 T CB 0.035 68.927 68.868 0.039 0.000 0.865 102 T HN 0.221 nan 8.240 nan 0.000 0.496 103 V N 0.562 120.481 119.914 0.009 0.000 2.548 103 V HA -0.024 4.094 4.120 -0.002 0.000 0.249 103 V C 2.581 178.677 176.094 0.004 0.000 1.055 103 V CA 1.368 63.674 62.300 0.009 0.000 1.065 103 V CB -0.306 31.521 31.823 0.006 0.000 0.681 103 V HN 0.502 nan 8.190 nan 0.000 0.462 104 V N 0.144 120.055 119.914 -0.006 0.000 2.407 104 V HA -0.139 3.980 4.120 -0.002 0.000 0.245 104 V C 2.633 178.722 176.094 -0.007 0.000 1.041 104 V CA 2.066 64.358 62.300 -0.013 0.000 1.040 104 V CB -0.788 31.020 31.823 -0.027 0.000 0.671 104 V HN 0.458 nan 8.190 nan 0.000 0.455 105 R N 0.027 120.525 120.500 -0.004 0.000 2.081 105 R HA -0.178 4.160 4.340 -0.002 0.000 0.235 105 R C 2.079 178.391 176.300 0.020 0.000 1.131 105 R CA 1.818 57.921 56.100 0.005 0.000 0.960 105 R CB -0.482 29.823 30.300 0.010 0.000 0.856 105 R HN 0.490 nan 8.270 nan 0.000 0.436 106 D N 0.414 120.829 120.400 0.025 0.000 2.123 106 D HA -0.143 4.495 4.640 -0.002 0.000 0.196 106 D C 1.859 178.179 176.300 0.033 0.000 0.992 106 D CA 1.121 55.142 54.000 0.035 0.000 0.833 106 D CB 0.004 40.825 40.800 0.035 0.000 0.954 106 D HN -0.047 nan 8.370 nan 0.000 0.455 107 K N 0.517 120.930 120.400 0.022 0.000 2.025 107 K HA 0.026 4.345 4.320 -0.002 0.000 0.207 107 K C 2.023 178.635 176.600 0.020 0.000 1.049 107 K CA 0.963 57.262 56.287 0.020 0.000 0.933 107 K CB -0.606 31.899 32.500 0.008 0.000 0.714 107 K HN 0.070 nan 8.250 nan 0.000 0.438 108 A N 0.957 123.783 122.820 0.010 0.000 1.892 108 A HA -0.168 4.150 4.320 -0.002 0.000 0.218 108 A C 2.495 180.096 177.584 0.028 0.000 1.188 108 A CA 2.075 54.116 52.037 0.007 0.000 0.631 108 A CB -0.814 18.182 19.000 -0.006 0.000 0.822 108 A HN 0.088 nan 8.150 nan 0.000 0.447 109 V N 0.042 119.978 119.914 0.037 0.000 2.261 109 V HA -0.295 3.824 4.120 -0.002 0.000 0.246 109 V C 2.555 178.693 176.094 0.073 0.000 1.047 109 V CA 2.324 64.660 62.300 0.059 0.000 1.015 109 V CB -0.809 31.053 31.823 0.065 0.000 0.642 109 V HN 0.783 nan 8.190 nan 0.000 0.446 110 E N 0.183 120.421 120.200 0.063 0.000 2.114 110 E HA -0.272 4.076 4.350 -0.002 0.000 0.199 110 E C 2.294 178.937 176.600 0.072 0.000 1.008 110 E CA 2.008 58.448 56.400 0.067 0.000 0.810 110 E CB -0.126 29.608 29.700 0.057 0.000 0.739 110 E HN 0.602 nan 8.360 nan 0.000 0.456 111 S N 0.440 116.179 115.700 0.064 0.000 2.383 111 S HA -0.082 4.386 4.470 -0.002 0.000 0.227 111 S C 1.984 176.643 174.600 0.099 0.000 1.026 111 S CA 0.707 58.951 58.200 0.072 0.000 0.981 111 S CB -0.163 63.066 63.200 0.049 0.000 0.818 111 S HN 0.255 nan 8.310 nan 0.000 0.472 112 L N 0.942 122.231 121.223 0.111 0.000 2.012 112 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 112 L C 2.693 179.682 176.870 0.199 0.000 1.073 112 L CA 1.381 56.337 54.840 0.194 0.000 0.748 112 L CB -0.367 41.789 42.059 0.162 0.000 0.891 112 L HN 0.229 nan 8.230 nan 0.000 0.431 113 R N -0.372 120.188 120.500 0.100 0.000 2.070 113 R HA -0.161 4.178 4.340 -0.002 0.000 0.233 113 R C 2.432 178.659 176.300 -0.121 0.000 1.137 113 R CA 1.407 57.483 56.100 -0.041 0.000 0.945 113 R CB -0.739 29.579 30.300 0.030 0.000 0.845 113 R HN 0.363 nan 8.270 nan 0.000 0.430 114 A N 2.023 124.863 122.820 0.033 0.000 1.869 114 A HA -0.225 4.094 4.320 -0.002 0.000 0.218 114 A C 2.221 179.850 177.584 0.073 0.000 1.203 114 A CA 2.167 54.261 52.037 0.095 0.000 0.638 114 A CB -0.969 18.096 19.000 0.108 0.000 0.831 114 A HN 0.544 nan 8.150 nan 0.000 0.450 115 I N -1.133 119.495 120.570 0.097 0.000 3.444 115 I HA -0.044 4.125 4.170 -0.002 0.000 0.287 115 I C 1.963 178.194 176.117 0.190 0.000 1.302 115 I CA 1.382 62.775 61.300 0.155 0.000 1.368 115 I CB -0.355 37.773 38.000 0.212 0.000 1.048 115 I HN 0.323 nan 8.210 nan 0.000 0.487 116 S N 0.609 116.256 115.700 -0.089 0.000 2.423 116 S HA -0.160 4.308 4.470 -0.002 0.000 0.231 116 S C 1.579 176.053 174.600 -0.209 0.000 1.014 116 S CA 0.674 58.633 58.200 -0.401 0.000 0.965 116 S CB -0.819 61.701 63.200 -1.133 0.000 0.785 116 S HN 0.587 nan 8.310 nan 0.000 0.495 117 H N 1.579 120.652 119.070 0.005 0.000 2.612 117 H HA 0.332 4.886 4.556 -0.003 0.000 0.285 117 H C 0.635 175.988 175.328 0.042 0.000 1.066 117 H CA 0.420 56.474 56.048 0.011 0.000 1.180 117 H CB -0.095 29.670 29.762 0.004 0.000 1.312 117 H HN 0.618 nan 8.280 nan 0.000 0.606 118 E N -0.191 120.100 120.200 0.151 0.000 2.676 118 E HA 0.032 4.380 4.350 -0.002 0.000 0.225 118 E C -0.304 176.300 176.600 0.007 0.000 0.944 118 E CA -0.150 56.292 56.400 0.069 0.000 1.156 118 E CB 0.529 30.252 29.700 0.039 0.000 1.117 118 E HN 0.447 nan 8.360 nan 0.000 0.523 119 H N 1.558 120.647 119.070 0.032 0.000 2.723 119 H HA 0.137 4.692 4.556 -0.002 0.000 0.294 119 H C 0.430 175.768 175.328 0.015 0.000 1.079 119 H CA -0.193 55.881 56.048 0.044 0.000 1.411 119 H CB 0.791 30.574 29.762 0.035 0.000 1.439 119 H HN -0.066 nan 8.280 nan 0.000 0.474 120 S N 3.644 119.397 115.700 0.088 0.000 2.560 120 S HA 0.015 4.484 4.470 -0.002 0.000 0.284 120 S C -1.542 173.087 174.600 0.049 0.000 1.327 120 S CA -1.113 57.114 58.200 0.046 0.000 1.055 120 S CB 1.171 64.380 63.200 0.014 0.000 0.868 120 S HN 0.428 nan 8.310 nan 0.000 0.506 121 P HA -0.172 nan 4.420 nan 0.000 0.218 121 P C 1.685 178.980 177.300 -0.009 0.000 1.147 121 P CA 1.530 64.631 63.100 0.002 0.000 0.827 121 P CB -0.038 31.656 31.700 -0.011 0.000 0.778 122 S N -1.068 114.623 115.700 -0.015 0.000 2.344 122 S HA -0.178 4.291 4.470 -0.002 0.000 0.217 122 S C 1.728 176.289 174.600 -0.065 0.000 1.033 122 S CA 1.758 59.931 58.200 -0.045 0.000 1.017 122 S CB -1.096 62.073 63.200 -0.052 0.000 0.941 122 S HN 0.050 nan 8.310 nan 0.000 0.430 123 D N 1.356 121.741 120.400 -0.024 0.000 2.123 123 D HA -0.074 4.564 4.640 -0.002 0.000 0.196 123 D C 1.951 178.328 176.300 0.128 0.000 0.992 123 D CA 0.610 54.618 54.000 0.014 0.000 0.833 123 D CB -0.556 40.361 40.800 0.196 0.000 0.954 123 D HN 0.256 nan 8.370 nan 0.000 0.455 124 L N 1.036 122.349 121.223 0.151 0.000 2.129 124 L HA -0.170 4.169 4.340 -0.002 0.000 0.212 124 L C 1.606 178.494 176.870 0.031 0.000 1.087 124 L CA 1.807 56.683 54.840 0.059 0.000 0.757 124 L CB -0.319 41.734 42.059 -0.010 0.000 0.896 124 L HN 0.116 nan 8.230 nan 0.000 0.434 125 E N -1.298 118.896 120.200 -0.010 0.000 2.340 125 E HA 0.029 4.378 4.350 -0.002 0.000 0.194 125 E C 1.905 178.463 176.600 -0.070 0.000 0.996 125 E CA 0.653 57.031 56.400 -0.036 0.000 0.869 125 E CB 0.320 29.992 29.700 -0.046 0.000 0.835 125 E HN 0.528 nan 8.360 nan 0.000 0.493 126 A N -0.309 122.423 122.820 -0.146 0.000 2.095 126 A HA 0.027 4.346 4.320 -0.002 0.000 0.212 126 A C 1.157 178.587 177.584 -0.256 0.000 1.162 126 A CA 0.733 52.607 52.037 -0.272 0.000 0.753 126 A CB -0.109 18.603 19.000 -0.479 0.000 0.840 126 A HN 0.202 nan 8.150 nan 0.000 0.468 127 H N -4.382 114.683 119.070 -0.008 0.000 2.312 127 H HA 0.223 4.778 4.556 -0.002 0.000 0.215 127 H C 1.496 176.792 175.328 -0.053 0.000 0.870 127 H CA 0.183 56.221 56.048 -0.015 0.000 0.982 127 H CB 0.073 29.860 29.762 0.042 0.000 1.330 127 H HN 0.334 nan 8.280 nan 0.000 0.399 128 F N 1.669 121.586 119.950 -0.056 0.000 2.186 128 F HA -0.142 4.383 4.527 -0.003 0.000 0.299 128 F C 1.946 177.632 175.800 -0.189 0.000 1.090 128 F CA 0.963 58.831 58.000 -0.220 0.000 1.307 128 F CB -0.063 38.664 39.000 -0.454 0.000 1.019 128 F HN -0.104 nan 8.300 nan 0.000 0.489 129 V N 0.779 120.715 119.914 0.037 0.000 2.453 129 V HA -0.137 3.981 4.120 -0.002 0.000 0.247 129 V C -0.614 175.375 176.094 -0.175 0.000 1.048 129 V CA 1.649 63.908 62.300 -0.069 0.000 1.049 129 V CB -1.371 30.422 31.823 -0.049 0.000 0.672 129 V HN 0.172 nan 8.190 nan 0.000 0.457 130 P HA -0.136 nan 4.420 nan 0.000 0.217 130 P C 1.864 179.058 177.300 -0.176 0.000 1.150 130 P CA 1.041 64.068 63.100 -0.122 0.000 0.832 130 P CB -0.059 31.612 31.700 -0.049 0.000 0.787 131 L N -0.691 120.388 121.223 -0.240 0.000 2.093 131 L HA -0.071 4.268 4.340 -0.002 0.000 0.208 131 L C 1.948 178.621 176.870 -0.329 0.000 1.085 131 L CA 1.905 56.568 54.840 -0.295 0.000 0.755 131 L CB -1.423 40.384 42.059 -0.420 0.000 0.904 131 L HN -0.172 nan 8.230 nan 0.000 0.435 132 V N 0.222 119.895 119.914 -0.403 0.000 2.343 132 V HA -0.267 3.851 4.120 -0.002 0.000 0.247 132 V C 2.684 178.574 176.094 -0.339 0.000 1.051 132 V CA 2.052 64.111 62.300 -0.400 0.000 1.036 132 V CB -0.644 30.881 31.823 -0.497 0.000 0.654 132 V HN 0.475 nan 8.190 nan 0.000 0.451 133 K N -0.341 119.833 120.400 -0.377 0.000 2.025 133 K HA -0.129 4.189 4.320 -0.002 0.000 0.207 133 K C 2.413 178.947 176.600 -0.109 0.000 1.049 133 K CA 1.278 57.347 56.287 -0.363 0.000 0.933 133 K CB -0.268 31.997 32.500 -0.392 0.000 0.714 133 K HN 0.327 nan 8.250 nan 0.000 0.438 134 R N 0.849 121.279 120.500 -0.116 0.000 2.096 134 R HA -0.139 4.200 4.340 -0.002 0.000 0.240 134 R C 2.368 178.632 176.300 -0.060 0.000 1.139 134 R CA 1.414 57.468 56.100 -0.075 0.000 0.952 134 R CB -0.480 29.764 30.300 -0.094 0.000 0.854 134 R HN 0.200 nan 8.270 nan 0.000 0.436 135 L N -0.310 120.867 121.223 -0.076 0.000 2.056 135 L HA -0.109 4.230 4.340 -0.002 0.000 0.207 135 L C 2.664 179.551 176.870 0.028 0.000 1.078 135 L CA 1.083 55.904 54.840 -0.031 0.000 0.749 135 L CB -0.553 41.477 42.059 -0.049 0.000 0.901 135 L HN 0.238 nan 8.230 nan 0.000 0.433 136 A N 0.057 122.908 122.820 0.052 0.000 1.972 136 A HA -0.078 4.241 4.320 -0.002 0.000 0.219 136 A C 2.023 179.701 177.584 0.156 0.000 1.169 136 A CA 1.673 53.807 52.037 0.161 0.000 0.635 136 A CB -0.763 18.414 19.000 0.295 0.000 0.810 136 A HN 0.445 nan 8.150 nan 0.000 0.446 137 G N -0.582 108.294 108.800 0.125 0.000 3.605 137 G HA2 0.441 4.399 3.960 -0.002 0.000 0.277 137 G HA3 0.441 4.399 3.960 -0.002 0.000 0.277 137 G C 0.610 175.511 174.900 0.002 0.000 1.093 137 G CA 0.389 45.540 45.100 0.086 0.000 0.821 137 G HN 0.673 nan 8.290 nan 0.000 0.532 138 G N -0.120 108.670 108.800 -0.018 0.000 2.594 138 G HA2 0.284 4.242 3.960 -0.002 0.000 0.243 138 G HA3 0.284 4.242 3.960 -0.002 0.000 0.243 138 G C 0.413 175.233 174.900 -0.134 0.000 1.229 138 G CA -0.294 44.741 45.100 -0.109 0.000 0.843 138 G HN 0.080 nan 8.290 nan 0.000 0.578 139 D N -0.445 119.758 120.400 -0.327 0.000 2.269 139 D HA -0.019 4.619 4.640 -0.002 0.000 0.208 139 D C 0.275 176.501 176.300 -0.124 0.000 0.963 139 D CA 0.744 54.567 54.000 -0.295 0.000 0.864 139 D CB 0.178 40.691 40.800 -0.478 0.000 0.936 139 D HN 0.349 nan 8.370 nan 0.000 0.505 140 W N 1.461 122.765 121.300 0.007 0.000 2.351 140 W HA 0.134 4.793 4.660 -0.002 0.000 0.311 140 W C 1.126 177.659 176.519 0.024 0.000 1.168 140 W CA -1.496 55.837 57.345 -0.020 0.000 1.200 140 W CB -0.092 29.311 29.460 -0.096 0.000 1.221 140 W HN -0.159 nan 8.180 nan 0.000 0.519 141 F N 0.980 121.061 119.950 0.219 0.000 2.216 141 F HA -0.213 4.313 4.527 -0.002 0.000 0.300 141 F C 1.933 177.793 175.800 0.100 0.000 1.085 141 F CA 1.860 59.928 58.000 0.114 0.000 1.326 141 F CB -1.439 37.604 39.000 0.072 0.000 1.027 141 F HN 0.219 nan 8.300 nan 0.000 0.497 142 T N -2.035 112.321 114.554 -0.330 0.000 2.684 142 T HA -0.258 4.090 4.350 -0.002 0.000 0.267 142 T C 2.216 176.935 174.700 0.031 0.000 1.036 142 T CA 1.735 63.698 62.100 -0.229 0.000 1.148 142 T CB -1.312 67.358 68.868 -0.331 0.000 0.863 142 T HN 0.440 nan 8.240 nan 0.000 0.436 143 S N 1.179 116.933 115.700 0.091 0.000 2.370 143 S HA -0.146 4.322 4.470 -0.002 0.000 0.226 143 S C 2.353 177.014 174.600 0.102 0.000 1.033 143 S CA 1.290 59.554 58.200 0.108 0.000 1.011 143 S CB -0.432 62.857 63.200 0.149 0.000 0.852 143 S HN 0.545 nan 8.310 nan 0.000 0.457 144 R N -0.135 120.447 120.500 0.137 0.000 2.148 144 R HA 0.010 4.349 4.340 -0.002 0.000 0.227 144 R C 2.306 178.682 176.300 0.127 0.000 1.103 144 R CA 1.703 57.881 56.100 0.130 0.000 0.983 144 R CB -0.436 29.948 30.300 0.141 0.000 0.874 144 R HN 0.424 nan 8.270 nan 0.000 0.451 145 T N -0.550 114.100 114.554 0.159 0.000 2.857 145 T HA -0.045 4.303 4.350 -0.002 0.000 0.266 145 T C 1.799 176.564 174.700 0.107 0.000 1.048 145 T CA 1.358 63.542 62.100 0.140 0.000 1.139 145 T CB -0.006 68.982 68.868 0.201 0.000 0.874 145 T HN 0.158 nan 8.240 nan 0.000 0.455 146 S N 1.355 117.113 115.700 0.097 0.000 2.406 146 S HA 0.083 4.552 4.470 -0.002 0.000 0.228 146 S C 2.577 177.238 174.600 0.102 0.000 1.020 146 S CA 0.701 58.950 58.200 0.082 0.000 0.965 146 S CB -0.429 62.802 63.200 0.051 0.000 0.798 146 S HN 0.570 nan 8.310 nan 0.000 0.488 147 A N 0.803 123.692 122.820 0.115 0.000 1.940 147 A HA -0.195 4.123 4.320 -0.002 0.000 0.219 147 A C 2.339 180.154 177.584 0.385 0.000 1.176 147 A CA 1.636 53.778 52.037 0.175 0.000 0.631 147 A CB -1.399 17.715 19.000 0.190 0.000 0.814 147 A HN 0.621 nan 8.150 nan 0.000 0.446 148 C N -1.073 118.388 119.300 0.270 0.000 2.403 148 C HA -0.054 4.405 4.460 -0.002 0.000 0.279 148 C C 2.630 177.819 174.990 0.333 0.000 1.269 148 C CA 0.754 59.903 59.018 0.218 0.000 1.774 148 C CB -1.599 26.154 27.740 0.022 0.000 1.993 148 C HN 0.722 nan 8.230 nan 0.000 0.496 149 G N -0.752 108.197 108.800 0.247 0.000 3.088 149 G HA2 0.233 4.191 3.960 -0.002 0.000 0.212 149 G HA3 0.233 4.191 3.960 -0.002 0.000 0.212 149 G C 1.075 176.100 174.900 0.208 0.000 1.173 149 G CA 0.061 45.285 45.100 0.208 0.000 0.779 149 G HN 0.565 nan 8.290 nan 0.000 0.540 150 L N -0.986 120.375 121.223 0.230 0.000 2.766 150 L HA 0.375 4.714 4.340 -0.002 0.000 0.242 150 L C 1.659 178.566 176.870 0.062 0.000 1.136 150 L CA -0.333 54.594 54.840 0.144 0.000 0.933 150 L CB 0.050 42.156 42.059 0.078 0.000 1.241 150 L HN 0.026 nan 8.230 nan 0.000 0.522 151 F N 0.723 120.695 119.950 0.036 0.000 2.053 151 F HA -0.180 4.346 4.527 -0.002 0.000 0.292 151 F C 2.949 178.822 175.800 0.122 0.000 1.125 151 F CA 1.669 59.656 58.000 -0.023 0.000 1.193 151 F CB -0.875 37.843 39.000 -0.470 0.000 0.996 151 F HN 0.101 nan 8.300 nan 0.000 0.470 152 S N 0.431 116.338 115.700 0.346 0.000 2.440 152 S HA -0.146 4.323 4.470 -0.002 0.000 0.238 152 S C 1.821 176.561 174.600 0.234 0.000 1.010 152 S CA 1.206 59.618 58.200 0.352 0.000 0.972 152 S CB -1.271 62.097 63.200 0.280 0.000 0.774 152 S HN 0.283 nan 8.310 nan 0.000 0.501 153 V N -0.494 119.506 119.914 0.144 0.000 3.633 153 V HA 0.288 4.407 4.120 -0.002 0.000 0.283 153 V C 1.437 177.501 176.094 -0.050 0.000 1.305 153 V CA 0.278 62.610 62.300 0.053 0.000 1.153 153 V CB -1.056 30.727 31.823 -0.066 0.000 0.950 153 V HN 0.894 nan 8.190 nan 0.000 0.432 154 C N -4.149 115.160 119.300 0.016 0.000 3.911 154 C HA 0.390 4.849 4.460 -0.002 0.000 0.318 154 C C 1.852 176.891 174.990 0.082 0.000 1.643 154 C CA 0.074 59.065 59.018 -0.045 0.000 1.845 154 C CB -1.387 26.239 27.740 -0.189 0.000 2.981 154 C HN 0.490 nan 8.230 nan 0.000 0.656 155 Y N 3.803 124.158 120.300 0.091 0.000 2.097 155 Y HA 0.027 4.575 4.550 -0.003 0.000 0.282 155 Y C -0.504 175.435 175.900 0.066 0.000 1.152 155 Y CA 2.474 60.655 58.100 0.135 0.000 1.136 155 Y CB -1.413 37.182 38.460 0.226 0.000 0.975 155 Y HN 0.197 nan 8.280 nan 0.000 0.498 156 P HA -0.196 nan 4.420 nan 0.000 0.212 156 P C 1.157 178.429 177.300 -0.047 0.000 1.178 156 P CA 2.511 65.626 63.100 0.024 0.000 0.915 156 P CB -0.070 31.678 31.700 0.079 0.000 0.788 157 R N -0.652 119.837 120.500 -0.018 0.000 2.355 157 R HA -0.017 4.322 4.340 -0.002 0.000 0.219 157 R C 0.786 177.051 176.300 -0.059 0.000 1.107 157 R CA 0.429 56.510 56.100 -0.032 0.000 1.021 157 R CB -1.141 29.150 30.300 -0.014 0.000 0.852 157 R HN 0.260 nan 8.270 nan 0.000 0.475 158 V N -3.101 116.755 119.914 -0.096 0.000 3.093 158 V HA 0.523 4.642 4.120 -0.002 0.000 0.320 158 V C 0.373 176.394 176.094 -0.122 0.000 1.093 158 V CA -1.155 61.087 62.300 -0.097 0.000 1.016 158 V CB 1.830 33.603 31.823 -0.083 0.000 1.096 158 V HN 0.109 nan 8.190 nan 0.000 0.452 159 S N 1.100 116.748 115.700 -0.086 0.000 2.600 159 S HA 0.191 4.659 4.470 -0.002 0.000 0.265 159 S C 1.169 175.715 174.600 -0.089 0.000 1.325 159 S CA 0.435 58.589 58.200 -0.076 0.000 1.002 159 S CB 0.889 64.061 63.200 -0.045 0.000 0.921 159 S HN 0.976 nan 8.310 nan 0.000 0.554 160 S N 1.727 117.386 115.700 -0.070 0.000 2.370 160 S HA -0.125 4.343 4.470 -0.002 0.000 0.226 160 S C 2.307 176.900 174.600 -0.012 0.000 1.033 160 S CA 1.377 59.546 58.200 -0.052 0.000 1.011 160 S CB -1.207 61.978 63.200 -0.026 0.000 0.852 160 S HN 0.937 nan 8.310 nan 0.000 0.457 161 A N 0.983 123.802 122.820 -0.001 0.000 1.917 161 A HA -0.105 4.214 4.320 -0.002 0.000 0.219 161 A C 2.343 179.955 177.584 0.046 0.000 1.182 161 A CA 1.870 53.922 52.037 0.025 0.000 0.633 161 A CB -0.919 18.092 19.000 0.018 0.000 0.819 161 A HN 0.372 nan 8.150 nan 0.000 0.448 162 V N 0.024 119.950 119.914 0.020 0.000 2.323 162 V HA -0.241 3.877 4.120 -0.002 0.000 0.244 162 V C 2.378 178.517 176.094 0.074 0.000 1.041 162 V CA 2.193 64.515 62.300 0.037 0.000 1.025 162 V CB -0.726 31.092 31.823 -0.008 0.000 0.656 162 V HN 0.529 nan 8.190 nan 0.000 0.451 163 K N 0.487 120.878 120.400 -0.016 0.000 2.160 163 K HA -0.200 4.118 4.320 -0.002 0.000 0.206 163 K C 2.282 179.045 176.600 0.272 0.000 1.047 163 K CA 1.533 57.821 56.287 0.002 0.000 0.930 163 K CB -0.442 31.832 32.500 -0.377 0.000 0.720 163 K HN 0.494 nan 8.250 nan 0.000 0.450 164 A N 1.755 124.680 122.820 0.174 0.000 1.902 164 A HA -0.220 4.099 4.320 -0.002 0.000 0.217 164 A C 1.943 179.680 177.584 0.254 0.000 1.181 164 A CA 1.527 53.681 52.037 0.194 0.000 0.623 164 A CB -0.350 18.724 19.000 0.123 0.000 0.818 164 A HN 0.313 nan 8.150 nan 0.000 0.443 165 E N -0.058 120.299 120.200 0.262 0.000 2.031 165 E HA -0.139 4.209 4.350 -0.002 0.000 0.193 165 E C 2.018 178.950 176.600 0.553 0.000 0.994 165 E CA 1.131 57.755 56.400 0.374 0.000 0.800 165 E CB -0.350 29.546 29.700 0.327 0.000 0.752 165 E HN 0.592 nan 8.360 nan 0.000 0.447 166 L N 0.740 122.248 121.223 0.476 0.000 2.043 166 L HA -0.236 4.103 4.340 -0.002 0.000 0.212 166 L C 2.633 179.939 176.870 0.727 0.000 1.075 166 L CA 1.371 56.592 54.840 0.634 0.000 0.752 166 L CB -0.535 41.915 42.059 0.651 0.000 0.891 166 L HN 0.127 nan 8.230 nan 0.000 0.432 167 R N -0.459 120.401 120.500 0.601 0.000 2.120 167 R HA -0.215 4.124 4.340 -0.002 0.000 0.234 167 R C 2.264 178.791 176.300 0.380 0.000 1.123 167 R CA 1.374 57.762 56.100 0.480 0.000 0.975 167 R CB -0.208 30.291 30.300 0.333 0.000 0.866 167 R HN 0.323 nan 8.270 nan 0.000 0.446 168 Q N 0.108 120.115 119.800 0.345 0.000 2.020 168 Q HA -0.138 4.200 4.340 -0.002 0.000 0.198 168 Q C 1.566 177.668 176.000 0.171 0.000 0.974 168 Q CA 1.692 57.612 55.803 0.195 0.000 0.829 168 Q CB -0.343 28.453 28.738 0.097 0.000 0.894 168 Q HN 0.313 nan 8.270 nan 0.000 0.433 169 Y N -0.654 119.784 120.300 0.230 0.000 2.165 169 Y HA -0.189 4.359 4.550 -0.002 0.000 0.286 169 Y C 2.033 177.988 175.900 0.092 0.000 1.155 169 Y CA 1.521 59.750 58.100 0.214 0.000 1.164 169 Y CB -0.635 38.046 38.460 0.368 0.000 0.978 169 Y HN 0.216 nan 8.280 nan 0.000 0.513 170 F N 0.562 120.521 119.950 0.015 0.000 2.134 170 F HA -0.212 4.314 4.527 -0.003 0.000 0.299 170 F C 2.674 178.390 175.800 -0.139 0.000 1.097 170 F CA 1.565 59.326 58.000 -0.399 0.000 1.264 170 F CB -0.283 38.334 39.000 -0.638 0.000 1.001 170 F HN -0.136 nan 8.300 nan 0.000 0.479 171 R N 0.341 120.945 120.500 0.174 0.000 2.083 171 R HA -0.203 4.136 4.340 -0.002 0.000 0.237 171 R C 2.024 178.306 176.300 -0.031 0.000 1.137 171 R CA 1.886 58.047 56.100 0.101 0.000 0.951 171 R CB -0.460 29.908 30.300 0.113 0.000 0.851 171 R HN 0.294 nan 8.270 nan 0.000 0.434 172 N N 0.863 119.543 118.700 -0.034 0.000 2.069 172 N HA -0.173 4.566 4.740 -0.002 0.000 0.191 172 N C 1.902 177.350 175.510 -0.104 0.000 1.031 172 N CA 1.213 54.225 53.050 -0.062 0.000 0.852 172 N CB -0.375 38.076 38.487 -0.060 0.000 1.018 172 N HN 0.259 nan 8.380 nan 0.000 0.423 173 L N 0.109 121.228 121.223 -0.173 0.000 2.191 173 L HA -0.138 4.200 4.340 -0.002 0.000 0.212 173 L C 2.091 178.791 176.870 -0.284 0.000 1.103 173 L CA 0.635 55.331 54.840 -0.239 0.000 0.769 173 L CB -0.341 41.488 42.059 -0.385 0.000 0.908 173 L HN 0.218 nan 8.230 nan 0.000 0.438 174 C N -1.220 117.887 119.300 -0.321 0.000 2.456 174 C HA -0.048 4.411 4.460 -0.002 0.000 0.279 174 C C 2.498 177.413 174.990 -0.126 0.000 1.427 174 C CA 0.641 59.522 59.018 -0.229 0.000 1.778 174 C CB -0.637 27.008 27.740 -0.159 0.000 1.842 174 C HN 0.418 nan 8.230 nan 0.000 0.531 175 S N -0.351 115.286 115.700 -0.104 0.000 2.557 175 S HA 0.032 4.501 4.470 -0.002 0.000 0.223 175 S C 0.227 174.785 174.600 -0.069 0.000 0.969 175 S CA -0.198 57.960 58.200 -0.071 0.000 0.927 175 S CB -0.343 62.826 63.200 -0.052 0.000 0.806 175 S HN 0.646 nan 8.310 nan 0.000 0.489 176 D N 2.236 122.586 120.400 -0.083 0.000 2.548 176 D HA -0.075 4.564 4.640 -0.002 0.000 0.231 176 D C 0.217 176.477 176.300 -0.067 0.000 1.142 176 D CA 0.408 54.367 54.000 -0.067 0.000 0.866 176 D CB 0.632 41.388 40.800 -0.072 0.000 1.190 176 D HN 0.042 nan 8.370 nan 0.000 0.469 177 D N 1.623 121.992 120.400 -0.052 0.000 2.263 177 D HA -0.067 4.572 4.640 -0.002 0.000 0.208 177 D C 0.301 176.549 176.300 -0.087 0.000 0.971 177 D CA 0.956 54.922 54.000 -0.056 0.000 0.867 177 D CB 0.118 40.898 40.800 -0.034 0.000 0.929 177 D HN 0.281 nan 8.370 nan 0.000 0.492 178 T N 0.894 115.376 114.554 -0.120 0.000 2.882 178 T HA 0.212 4.560 4.350 -0.002 0.000 0.287 178 T C -1.767 172.802 174.700 -0.220 0.000 0.992 178 T CA -1.450 60.517 62.100 -0.222 0.000 1.076 178 T CB 2.337 70.969 68.868 -0.393 0.000 0.961 178 T HN -0.160 nan 8.240 nan 0.000 0.490 179 P HA 0.018 nan 4.420 nan 0.000 0.221 179 P C 1.613 178.801 177.300 -0.186 0.000 1.150 179 P CA 0.451 63.449 63.100 -0.171 0.000 0.800 179 P CB 0.107 31.720 31.700 -0.146 0.000 0.787 180 M N -0.393 119.024 119.600 -0.306 0.000 2.084 180 M HA -0.162 4.317 4.480 -0.002 0.000 0.259 180 M C 1.726 177.965 176.300 -0.102 0.000 1.072 180 M CA 2.078 57.243 55.300 -0.225 0.000 1.107 180 M CB -0.975 31.373 32.600 -0.421 0.000 1.299 180 M HN -0.277 nan 8.290 nan 0.000 0.413 181 V N 0.832 120.681 119.914 -0.108 0.000 2.282 181 V HA -0.320 3.798 4.120 -0.002 0.000 0.249 181 V C 2.454 178.497 176.094 -0.086 0.000 1.057 181 V CA 2.260 64.535 62.300 -0.043 0.000 1.032 181 V CB -1.107 30.697 31.823 -0.031 0.000 0.645 181 V HN 0.495 nan 8.190 nan 0.000 0.447 182 R N -0.390 120.046 120.500 -0.106 0.000 2.091 182 R HA -0.151 4.188 4.340 -0.002 0.000 0.238 182 R C 2.571 178.826 176.300 -0.076 0.000 1.136 182 R CA 1.537 57.574 56.100 -0.105 0.000 0.959 182 R CB -0.404 29.838 30.300 -0.097 0.000 0.856 182 R HN 0.475 nan 8.270 nan 0.000 0.437 183 R N 0.212 120.675 120.500 -0.062 0.000 2.081 183 R HA -0.105 4.234 4.340 -0.002 0.000 0.235 183 R C 2.346 178.639 176.300 -0.012 0.000 1.131 183 R CA 1.433 57.513 56.100 -0.033 0.000 0.960 183 R CB -0.341 29.942 30.300 -0.030 0.000 0.856 183 R HN 0.213 nan 8.270 nan 0.000 0.436 184 A N 0.980 123.792 122.820 -0.013 0.000 1.883 184 A HA -0.177 4.142 4.320 -0.002 0.000 0.217 184 A C 2.338 179.914 177.584 -0.012 0.000 1.186 184 A CA 1.895 53.937 52.037 0.008 0.000 0.624 184 A CB -0.700 18.312 19.000 0.021 0.000 0.822 184 A HN 0.446 nan 8.150 nan 0.000 0.444 185 A N -0.138 122.624 122.820 -0.097 0.000 1.858 185 A HA 0.146 4.464 4.320 -0.002 0.000 0.216 185 A C 2.542 180.134 177.584 0.013 0.000 1.190 185 A CA 2.294 54.215 52.037 -0.194 0.000 0.617 185 A CB -1.237 17.522 19.000 -0.402 0.000 0.827 185 A HN 1.224 nan 8.150 nan 0.000 0.443 186 A N 0.104 122.932 122.820 0.014 0.000 2.032 186 A HA -0.115 4.203 4.320 -0.002 0.000 0.221 186 A C 2.301 179.952 177.584 0.111 0.000 1.165 186 A CA 2.386 54.471 52.037 0.079 0.000 0.645 186 A CB -0.789 18.235 19.000 0.040 0.000 0.807 186 A HN 1.125 nan 8.150 nan 0.000 0.453 187 S N -2.460 113.295 115.700 0.090 0.000 2.556 187 S HA 0.193 4.661 4.470 -0.002 0.000 0.216 187 S C 1.185 175.856 174.600 0.119 0.000 0.970 187 S CA 0.139 58.396 58.200 0.096 0.000 0.912 187 S CB 0.246 63.488 63.200 0.070 0.000 0.790 187 S HN 0.359 nan 8.310 nan 0.000 0.504 188 K N 0.490 120.990 120.400 0.166 0.000 2.373 188 K HA 0.390 4.709 4.320 -0.002 0.000 0.200 188 K C 1.289 178.026 176.600 0.229 0.000 1.054 188 K CA -0.105 56.298 56.287 0.193 0.000 1.065 188 K CB -0.345 32.288 32.500 0.223 0.000 0.886 188 K HN 0.279 nan 8.250 nan 0.000 0.546 189 L N 1.341 122.730 121.223 0.276 0.000 2.081 189 L HA -0.127 4.212 4.340 -0.002 0.000 0.212 189 L C 1.955 178.888 176.870 0.104 0.000 1.080 189 L CA 2.144 57.132 54.840 0.246 0.000 0.754 189 L CB -0.893 41.324 42.059 0.263 0.000 0.893 189 L HN 0.267 nan 8.230 nan 0.000 0.433 190 G N -0.480 108.372 108.800 0.087 0.000 2.511 190 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.216 190 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.216 190 G C 1.298 176.211 174.900 0.022 0.000 1.218 190 G CA 0.865 45.982 45.100 0.029 0.000 0.788 190 G HN 0.663 nan 8.290 nan 0.000 0.560 191 E N -0.854 119.384 120.200 0.064 0.000 2.204 191 E HA -0.084 4.265 4.350 -0.002 0.000 0.195 191 E C 2.138 178.790 176.600 0.087 0.000 0.990 191 E CA 0.765 57.207 56.400 0.070 0.000 0.821 191 E CB -0.348 29.412 29.700 0.100 0.000 0.750 191 E HN 0.382 nan 8.360 nan 0.000 0.477 192 F N 2.059 121.924 119.950 -0.141 0.000 2.187 192 F HA 0.199 4.724 4.527 -0.002 0.000 0.295 192 F C 2.378 177.987 175.800 -0.319 0.000 1.091 192 F CA 0.785 58.613 58.000 -0.287 0.000 1.308 192 F CB -0.599 38.049 39.000 -0.586 0.000 1.030 192 F HN 0.089 nan 8.300 nan 0.000 0.487 193 A N -0.001 122.628 122.820 -0.320 0.000 1.933 193 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 193 A C 2.063 179.471 177.584 -0.294 0.000 1.175 193 A CA 1.782 53.589 52.037 -0.384 0.000 0.628 193 A CB -0.775 18.083 19.000 -0.236 0.000 0.814 193 A HN 0.264 nan 8.150 nan 0.000 0.444 194 K N 0.221 120.515 120.400 -0.177 0.000 2.585 194 K HA -0.059 4.260 4.320 -0.002 0.000 0.194 194 K C 1.106 177.646 176.600 -0.101 0.000 1.037 194 K CA 1.443 57.663 56.287 -0.112 0.000 0.964 194 K CB -0.417 32.052 32.500 -0.052 0.000 0.787 194 K HN 0.561 nan 8.250 nan 0.000 0.488 195 V N -2.696 117.116 119.914 -0.169 0.000 3.432 195 V HA 0.359 4.478 4.120 -0.002 0.000 0.298 195 V C 0.247 176.252 176.094 -0.148 0.000 1.464 195 V CA -0.628 61.624 62.300 -0.079 0.000 1.046 195 V CB -0.007 31.839 31.823 0.039 0.000 0.887 195 V HN -0.119 nan 8.190 nan 0.000 0.441 196 L N 2.973 123.965 121.223 -0.384 0.000 2.334 196 L HA 0.503 4.842 4.340 -0.002 0.000 0.277 196 L C 0.425 177.203 176.870 -0.154 0.000 1.075 196 L CA 0.053 54.648 54.840 -0.408 0.000 0.804 196 L CB 1.613 43.264 42.059 -0.679 0.000 1.174 196 L HN 0.508 nan 8.230 nan 0.000 0.438 197 E N 3.273 123.450 120.200 -0.038 0.000 2.344 197 E HA -0.041 4.307 4.350 -0.002 0.000 0.270 197 E C 0.968 177.534 176.600 -0.058 0.000 1.021 197 E CA -0.390 55.996 56.400 -0.023 0.000 0.887 197 E CB 1.294 31.006 29.700 0.019 0.000 0.997 197 E HN 0.530 nan 8.360 nan 0.000 0.429 198 L N 3.140 124.330 121.223 -0.056 0.000 2.123 198 L HA -0.354 3.984 4.340 -0.002 0.000 0.217 198 L C 1.171 178.012 176.870 -0.048 0.000 1.081 198 L CA 2.557 57.362 54.840 -0.059 0.000 0.772 198 L CB -0.371 41.662 42.059 -0.044 0.000 0.890 198 L HN 0.586 nan 8.230 nan 0.000 0.437 199 D N -0.476 119.905 120.400 -0.031 0.000 2.137 199 D HA -0.238 4.401 4.640 -0.002 0.000 0.189 199 D C 1.835 178.119 176.300 -0.026 0.000 0.998 199 D CA 1.955 55.943 54.000 -0.019 0.000 0.839 199 D CB -0.278 40.520 40.800 -0.005 0.000 0.962 199 D HN 0.445 nan 8.370 nan 0.000 0.446 200 N N 0.013 118.690 118.700 -0.037 0.000 2.270 200 N HA -0.063 4.675 4.740 -0.002 0.000 0.181 200 N C 1.842 177.297 175.510 -0.092 0.000 1.016 200 N CA 0.301 53.319 53.050 -0.053 0.000 0.870 200 N CB -0.167 38.284 38.487 -0.060 0.000 0.979 200 N HN 0.094 nan 8.380 nan 0.000 0.431 201 V N 1.423 121.264 119.914 -0.121 0.000 2.688 201 V HA -0.183 3.935 4.120 -0.002 0.000 0.256 201 V C 1.963 178.009 176.094 -0.081 0.000 1.084 201 V CA 1.565 63.782 62.300 -0.138 0.000 1.103 201 V CB -0.353 31.384 31.823 -0.144 0.000 0.688 201 V HN 0.284 nan 8.190 nan 0.000 0.480 202 K N -0.142 120.226 120.400 -0.053 0.000 2.334 202 K HA 0.036 4.355 4.320 -0.002 0.000 0.195 202 K C 2.074 178.671 176.600 -0.005 0.000 1.045 202 K CA 1.005 57.277 56.287 -0.025 0.000 1.004 202 K CB 0.199 32.686 32.500 -0.022 0.000 0.837 202 K HN 0.613 nan 8.250 nan 0.000 0.510 203 S N -0.530 115.166 115.700 -0.007 0.000 2.506 203 S HA 0.144 4.613 4.470 -0.002 0.000 0.219 203 S C 1.471 176.083 174.600 0.020 0.000 1.031 203 S CA -0.064 58.142 58.200 0.010 0.000 0.911 203 S CB 0.402 63.608 63.200 0.010 0.000 0.812 203 S HN 0.091 nan 8.310 nan 0.000 0.497 204 E N 0.747 120.952 120.200 0.009 0.000 2.280 204 E HA 0.347 4.696 4.350 -0.002 0.000 0.197 204 E C 1.707 178.335 176.600 0.047 0.000 0.913 204 E CA 0.078 56.497 56.400 0.031 0.000 0.995 204 E CB 0.012 29.721 29.700 0.016 0.000 0.991 204 E HN 0.161 nan 8.360 nan 0.000 0.484 205 I N 1.757 122.323 120.570 -0.007 0.000 2.208 205 I HA -0.246 3.923 4.170 -0.002 0.000 0.245 205 I C 2.123 178.304 176.117 0.107 0.000 1.097 205 I CA 1.178 62.488 61.300 0.018 0.000 1.363 205 I CB -0.827 37.118 38.000 -0.092 0.000 1.051 205 I HN 0.236 nan 8.210 nan 0.000 0.413 206 I N 1.167 121.788 120.570 0.085 0.000 2.127 206 I HA -0.192 3.976 4.170 -0.002 0.000 0.241 206 I C 0.046 176.274 176.117 0.185 0.000 1.075 206 I CA 1.953 63.354 61.300 0.167 0.000 1.334 206 I CB -2.770 35.292 38.000 0.103 0.000 1.040 206 I HN 0.128 nan 8.210 nan 0.000 0.405 207 P HA -0.137 nan 4.420 nan 0.000 0.215 207 P C 2.165 179.515 177.300 0.082 0.000 1.153 207 P CA 1.581 64.728 63.100 0.078 0.000 0.853 207 P CB -0.064 31.671 31.700 0.058 0.000 0.788 208 M N -2.600 117.073 119.600 0.123 0.000 2.117 208 M HA -0.136 4.343 4.480 -0.002 0.000 0.262 208 M C 1.999 178.389 176.300 0.149 0.000 1.065 208 M CA 1.634 57.014 55.300 0.135 0.000 1.114 208 M CB -0.792 31.935 32.600 0.213 0.000 1.361 208 M HN -0.103 nan 8.290 nan 0.000 0.408 209 F N 0.059 120.039 119.950 0.049 0.000 2.234 209 F HA -0.152 4.374 4.527 -0.003 0.000 0.299 209 F C 2.537 178.349 175.800 0.020 0.000 1.087 209 F CA 1.638 59.659 58.000 0.035 0.000 1.340 209 F CB -0.523 38.491 39.000 0.024 0.000 1.031 209 F HN 0.047 nan 8.300 nan 0.000 0.500 210 S N 0.346 115.929 115.700 -0.196 0.000 2.357 210 S HA -0.164 4.305 4.470 -0.002 0.000 0.221 210 S C 1.901 176.368 174.600 -0.223 0.000 1.031 210 S CA 1.522 59.542 58.200 -0.299 0.000 0.982 210 S CB -0.515 62.628 63.200 -0.095 0.000 0.853 210 S HN 0.499 nan 8.310 nan 0.000 0.458 211 N N 1.901 120.536 118.700 -0.108 0.000 2.000 211 N HA -0.057 4.682 4.740 -0.002 0.000 0.198 211 N C 1.798 177.250 175.510 -0.097 0.000 1.057 211 N CA 1.767 54.770 53.050 -0.079 0.000 0.858 211 N CB -0.985 37.481 38.487 -0.035 0.000 1.057 211 N HN 0.359 nan 8.380 nan 0.000 0.423 212 L N 0.479 121.654 121.223 -0.079 0.000 2.043 212 L HA -0.177 4.161 4.340 -0.002 0.000 0.212 212 L C 2.129 178.931 176.870 -0.112 0.000 1.075 212 L CA 1.420 56.217 54.840 -0.071 0.000 0.752 212 L CB -0.654 41.394 42.059 -0.018 0.000 0.891 212 L HN 0.177 nan 8.230 nan 0.000 0.432 213 A N -0.535 122.160 122.820 -0.208 0.000 2.225 213 A HA -0.095 4.224 4.320 -0.002 0.000 0.215 213 A C 1.679 179.159 177.584 -0.174 0.000 1.164 213 A CA 1.499 53.388 52.037 -0.247 0.000 0.710 213 A CB -0.418 18.268 19.000 -0.523 0.000 0.780 213 A HN 0.526 nan 8.150 nan 0.000 0.473 214 S N -0.969 114.646 115.700 -0.141 0.000 2.902 214 S HA 0.193 4.661 4.470 -0.002 0.000 0.250 214 S C -0.359 174.195 174.600 -0.077 0.000 1.046 214 S CA -0.580 57.559 58.200 -0.101 0.000 1.069 214 S CB -0.105 63.036 63.200 -0.098 0.000 0.967 214 S HN 0.450 nan 8.310 nan 0.000 0.530 215 D N 2.359 122.713 120.400 -0.077 0.000 2.362 215 D HA 0.039 4.677 4.640 -0.002 0.000 0.242 215 D C 1.106 177.372 176.300 -0.057 0.000 1.132 215 D CA 0.134 54.096 54.000 -0.064 0.000 0.907 215 D CB 1.105 41.866 40.800 -0.064 0.000 1.195 215 D HN 0.574 nan 8.370 nan 0.000 0.429 216 E N 1.401 121.570 120.200 -0.052 0.000 2.268 216 E HA -0.182 4.167 4.350 -0.002 0.000 0.195 216 E C 0.333 176.905 176.600 -0.048 0.000 0.995 216 E CA 0.541 56.913 56.400 -0.045 0.000 0.836 216 E CB 0.055 29.730 29.700 -0.041 0.000 0.763 216 E HN 0.200 nan 8.360 nan 0.000 0.491 217 Q N 1.376 121.143 119.800 -0.055 0.000 2.322 217 Q HA 0.044 4.382 4.340 -0.002 0.000 0.256 217 Q C -0.205 175.758 176.000 -0.062 0.000 0.960 217 Q CA -0.191 55.577 55.803 -0.058 0.000 0.934 217 Q CB 1.201 29.901 28.738 -0.064 0.000 1.200 217 Q HN 0.039 nan 8.270 nan 0.000 0.435 218 D N 0.948 121.309 120.400 -0.064 0.000 2.133 218 D HA -0.212 4.426 4.640 -0.002 0.000 0.195 218 D C 1.383 177.634 176.300 -0.082 0.000 0.997 218 D CA 1.942 55.894 54.000 -0.080 0.000 0.840 218 D CB -0.121 40.621 40.800 -0.096 0.000 0.947 218 D HN 0.657 nan 8.370 nan 0.000 0.452 219 S N -0.062 115.595 115.700 -0.073 0.000 2.419 219 S HA -0.091 4.378 4.470 -0.002 0.000 0.233 219 S C 2.169 176.738 174.600 -0.052 0.000 1.016 219 S CA 0.632 58.794 58.200 -0.065 0.000 0.974 219 S CB -0.441 62.725 63.200 -0.056 0.000 0.786 219 S HN 0.116 nan 8.310 nan 0.000 0.492 220 V N 2.390 122.272 119.914 -0.054 0.000 2.331 220 V HA -0.030 4.088 4.120 -0.002 0.000 0.242 220 V C 2.841 178.911 176.094 -0.040 0.000 1.034 220 V CA 1.470 63.743 62.300 -0.045 0.000 1.027 220 V CB -0.631 31.160 31.823 -0.054 0.000 0.667 220 V HN 0.429 nan 8.190 nan 0.000 0.457 221 R N 0.735 121.202 120.500 -0.054 0.000 2.103 221 R HA -0.183 4.155 4.340 -0.002 0.000 0.242 221 R C 2.278 178.555 176.300 -0.039 0.000 1.142 221 R CA 1.999 58.065 56.100 -0.057 0.000 0.960 221 R CB -0.747 29.512 30.300 -0.068 0.000 0.858 221 R HN 0.618 nan 8.270 nan 0.000 0.439 222 L N -1.200 119.998 121.223 -0.043 0.000 2.465 222 L HA 0.048 4.386 4.340 -0.002 0.000 0.224 222 L C 1.720 178.594 176.870 0.006 0.000 1.145 222 L CA 1.004 55.828 54.840 -0.027 0.000 0.834 222 L CB -0.219 41.805 42.059 -0.058 0.000 0.944 222 L HN 0.115 nan 8.230 nan 0.000 0.451 223 L N 0.297 121.526 121.223 0.010 0.000 2.375 223 L HA 0.099 4.438 4.340 -0.002 0.000 0.215 223 L C 2.878 179.792 176.870 0.074 0.000 1.108 223 L CA 0.730 55.592 54.840 0.036 0.000 0.830 223 L CB -0.268 41.807 42.059 0.027 0.000 0.959 223 L HN 0.399 nan 8.230 nan 0.000 0.457 224 A N -0.410 122.453 122.820 0.073 0.000 1.898 224 A HA -0.099 4.219 4.320 -0.002 0.000 0.214 224 A C 2.183 179.898 177.584 0.218 0.000 1.183 224 A CA 0.918 53.042 52.037 0.146 0.000 0.622 224 A CB -0.593 18.426 19.000 0.032 0.000 0.824 224 A HN 0.139 nan 8.150 nan 0.000 0.444 225 V N 0.769 120.758 119.914 0.124 0.000 2.546 225 V HA -0.269 3.849 4.120 -0.002 0.000 0.254 225 V C 2.594 178.771 176.094 0.139 0.000 1.076 225 V CA 2.491 64.873 62.300 0.136 0.000 1.087 225 V CB -0.668 31.199 31.823 0.073 0.000 0.674 225 V HN 0.811 nan 8.190 nan 0.000 0.470 226 E N 1.273 121.542 120.200 0.116 0.000 2.051 226 E HA -0.075 4.274 4.350 -0.002 0.000 0.189 226 E C 2.078 178.727 176.600 0.081 0.000 0.979 226 E CA 1.558 58.011 56.400 0.088 0.000 0.803 226 E CB -0.582 29.162 29.700 0.073 0.000 0.761 226 E HN 0.433 nan 8.360 nan 0.000 0.451 227 A N 0.441 123.327 122.820 0.110 0.000 2.131 227 A HA -0.172 4.146 4.320 -0.002 0.000 0.220 227 A C 2.533 180.071 177.584 -0.075 0.000 1.158 227 A CA 1.281 53.348 52.037 0.051 0.000 0.665 227 A CB -1.411 17.658 19.000 0.114 0.000 0.795 227 A HN 0.538 nan 8.150 nan 0.000 0.460 228 C N -1.064 118.250 119.300 0.023 0.000 2.388 228 C HA -0.149 4.309 4.460 -0.002 0.000 0.277 228 C C 2.640 177.544 174.990 -0.144 0.000 1.210 228 C CA 1.575 60.528 59.018 -0.108 0.000 1.743 228 C CB -1.394 26.449 27.740 0.172 0.000 2.047 228 C HN 0.478 nan 8.230 nan 0.000 0.458 229 V N 1.771 121.654 119.914 -0.053 0.000 2.231 229 V HA -0.304 3.814 4.120 -0.002 0.000 0.250 229 V C 2.047 178.092 176.094 -0.081 0.000 1.058 229 V CA 2.882 65.149 62.300 -0.054 0.000 1.022 229 V CB -1.145 30.666 31.823 -0.019 0.000 0.640 229 V HN 0.622 nan 8.190 nan 0.000 0.445 230 N N -0.079 118.576 118.700 -0.076 0.000 2.149 230 N HA -0.110 4.629 4.740 -0.002 0.000 0.188 230 N C 1.687 177.118 175.510 -0.132 0.000 1.019 230 N CA 1.509 54.510 53.050 -0.082 0.000 0.857 230 N CB -0.287 38.167 38.487 -0.054 0.000 0.997 230 N HN 0.484 nan 8.380 nan 0.000 0.426 231 I N 0.447 120.888 120.570 -0.215 0.000 2.233 231 I HA -0.165 4.004 4.170 -0.002 0.000 0.243 231 I C 2.364 178.350 176.117 -0.218 0.000 1.093 231 I CA 0.732 61.863 61.300 -0.281 0.000 1.380 231 I CB -0.461 37.210 38.000 -0.548 0.000 1.067 231 I HN 0.152 nan 8.210 nan 0.000 0.413 232 A N 0.400 123.100 122.820 -0.199 0.000 1.917 232 A HA -0.254 4.065 4.320 -0.002 0.000 0.219 232 A C 2.038 179.563 177.584 -0.097 0.000 1.182 232 A CA 1.482 53.441 52.037 -0.131 0.000 0.633 232 A CB -0.731 18.209 19.000 -0.100 0.000 0.819 232 A HN 0.509 nan 8.150 nan 0.000 0.448 233 Q N -1.019 118.728 119.800 -0.089 0.000 2.408 233 Q HA 0.223 4.562 4.340 -0.002 0.000 0.214 233 Q C 0.412 176.371 176.000 -0.069 0.000 0.957 233 Q CA 0.196 55.958 55.803 -0.068 0.000 0.965 233 Q CB -0.138 28.567 28.738 -0.055 0.000 0.991 233 Q HN 0.662 nan 8.270 nan 0.000 0.505 234 L N -0.719 120.454 121.223 -0.084 0.000 3.360 234 L HA 0.275 4.614 4.340 -0.002 0.000 0.303 234 L C -0.280 176.544 176.870 -0.077 0.000 1.218 234 L CA 0.052 54.843 54.840 -0.082 0.000 1.059 234 L CB 0.843 42.840 42.059 -0.103 0.000 1.468 234 L HN 0.116 nan 8.230 nan 0.000 0.614 235 L N 1.044 122.223 121.223 -0.074 0.000 2.333 235 L HA 0.522 4.861 4.340 -0.002 0.000 0.269 235 L C -2.218 174.624 176.870 -0.048 0.000 1.010 235 L CA -1.804 52.999 54.840 -0.062 0.000 0.818 235 L CB 1.803 43.822 42.059 -0.067 0.000 1.306 235 L HN -0.199 nan 8.230 nan 0.000 0.430 236 P HA -0.006 nan 4.420 nan 0.000 0.276 236 P C 0.037 177.320 177.300 -0.028 0.000 1.235 236 P CA -0.273 62.808 63.100 -0.031 0.000 0.772 236 P CB 1.260 32.945 31.700 -0.026 0.000 0.871 237 Q N 2.571 122.354 119.800 -0.027 0.000 2.294 237 Q HA -0.262 4.077 4.340 -0.002 0.000 0.215 237 Q C 1.107 177.095 176.000 -0.019 0.000 1.000 237 Q CA 2.259 58.048 55.803 -0.024 0.000 0.916 237 Q CB -0.078 28.646 28.738 -0.023 0.000 0.932 237 Q HN 0.502 nan 8.270 nan 0.000 0.420 238 E N 0.349 120.538 120.200 -0.017 0.000 2.051 238 E HA -0.142 4.206 4.350 -0.002 0.000 0.192 238 E C 1.704 178.298 176.600 -0.010 0.000 0.991 238 E CA 1.460 57.852 56.400 -0.012 0.000 0.799 238 E CB -0.163 29.530 29.700 -0.012 0.000 0.748 238 E HN 0.404 nan 8.360 nan 0.000 0.449 239 D N 0.200 120.592 120.400 -0.014 0.000 2.269 239 D HA -0.068 4.570 4.640 -0.002 0.000 0.208 239 D C 1.949 178.245 176.300 -0.007 0.000 0.963 239 D CA 0.365 54.358 54.000 -0.011 0.000 0.864 239 D CB -0.034 40.757 40.800 -0.017 0.000 0.936 239 D HN 0.156 nan 8.370 nan 0.000 0.505 240 L N 0.883 122.098 121.223 -0.013 0.000 1.965 240 L HA -0.276 4.063 4.340 -0.002 0.000 0.226 240 L C 2.501 179.377 176.870 0.009 0.000 1.083 240 L CA 1.499 56.334 54.840 -0.008 0.000 0.790 240 L CB -0.651 41.398 42.059 -0.016 0.000 0.898 240 L HN -0.015 nan 8.230 nan 0.000 0.439 241 E N -0.124 120.080 120.200 0.007 0.000 2.236 241 E HA -0.276 4.072 4.350 -0.002 0.000 0.205 241 E C 1.758 178.371 176.600 0.021 0.000 1.028 241 E CA 1.910 58.319 56.400 0.015 0.000 0.827 241 E CB -0.080 29.626 29.700 0.010 0.000 0.735 241 E HN 0.506 nan 8.360 nan 0.000 0.470 242 A N -1.311 121.520 122.820 0.020 0.000 2.085 242 A HA 0.211 4.530 4.320 -0.002 0.000 0.208 242 A C 2.001 179.607 177.584 0.037 0.000 1.191 242 A CA 0.330 52.381 52.037 0.024 0.000 0.799 242 A CB 0.090 19.100 19.000 0.017 0.000 0.877 242 A HN 0.241 nan 8.150 nan 0.000 0.473 243 L N -1.230 120.017 121.223 0.040 0.000 2.286 243 L HA 0.066 4.405 4.340 -0.002 0.000 0.203 243 L C 2.194 179.135 176.870 0.118 0.000 1.068 243 L CA 0.511 55.389 54.840 0.063 0.000 0.811 243 L CB -0.351 41.729 42.059 0.034 0.000 0.989 243 L HN 0.170 nan 8.230 nan 0.000 0.467 244 V N -0.641 119.326 119.914 0.088 0.000 2.403 244 V HA -0.107 4.011 4.120 -0.002 0.000 0.239 244 V C 2.482 178.669 176.094 0.155 0.000 1.041 244 V CA 0.874 63.258 62.300 0.140 0.000 1.051 244 V CB -0.244 31.590 31.823 0.020 0.000 0.704 244 V HN 0.253 nan 8.190 nan 0.000 0.472 245 M N -0.099 119.549 119.600 0.081 0.000 2.192 245 M HA -0.143 4.336 4.480 -0.002 0.000 0.259 245 M C -0.094 176.244 176.300 0.063 0.000 1.071 245 M CA 2.015 57.353 55.300 0.064 0.000 1.082 245 M CB -2.500 30.123 32.600 0.038 0.000 1.373 245 M HN 0.288 nan 8.290 nan 0.000 0.408 246 P HA -0.067 nan 4.420 nan 0.000 0.216 246 P C 1.557 178.874 177.300 0.028 0.000 1.153 246 P CA 1.361 64.484 63.100 0.039 0.000 0.848 246 P CB -0.212 31.508 31.700 0.033 0.000 0.787 247 T N 0.127 114.705 114.554 0.040 0.000 2.812 247 T HA -0.101 4.247 4.350 -0.002 0.000 0.264 247 T C 1.607 176.313 174.700 0.010 0.000 1.042 247 T CA 0.920 63.003 62.100 -0.030 0.000 1.140 247 T CB -0.894 67.893 68.868 -0.135 0.000 0.870 247 T HN 0.010 nan 8.240 nan 0.000 0.445 248 L N 1.233 122.513 121.223 0.094 0.000 2.275 248 L HA 0.182 4.520 4.340 -0.002 0.000 0.215 248 L C 2.295 179.201 176.870 0.061 0.000 1.119 248 L CA 1.482 56.378 54.840 0.093 0.000 0.790 248 L CB -0.586 41.535 42.059 0.103 0.000 0.919 248 L HN 0.039 nan 8.230 nan 0.000 0.443 249 R N -0.375 120.155 120.500 0.051 0.000 2.062 249 R HA -0.197 4.142 4.340 -0.002 0.000 0.231 249 R C 2.360 178.680 176.300 0.034 0.000 1.136 249 R CA 1.693 57.822 56.100 0.047 0.000 0.948 249 R CB -0.345 29.979 30.300 0.040 0.000 0.845 249 R HN 0.737 nan 8.270 nan 0.000 0.430 250 Q N -0.268 119.540 119.800 0.014 0.000 2.170 250 Q HA -0.120 4.219 4.340 -0.002 0.000 0.203 250 Q C 1.687 177.685 176.000 -0.004 0.000 0.976 250 Q CA 1.666 57.468 55.803 -0.002 0.000 0.858 250 Q CB -0.172 28.552 28.738 -0.024 0.000 0.907 250 Q HN 0.367 nan 8.270 nan 0.000 0.433 251 A N 1.207 124.027 122.820 -0.000 0.000 1.929 251 A HA 0.135 4.454 4.320 -0.002 0.000 0.216 251 A C 2.285 179.884 177.584 0.024 0.000 1.176 251 A CA 1.212 53.251 52.037 0.002 0.000 0.628 251 A CB -0.678 18.329 19.000 0.012 0.000 0.816 251 A HN 0.571 nan 8.150 nan 0.000 0.444 252 A N -1.085 121.763 122.820 0.046 0.000 2.235 252 A HA 0.073 4.392 4.320 -0.002 0.000 0.208 252 A C 1.639 179.244 177.584 0.036 0.000 1.172 252 A CA 1.232 53.303 52.037 0.057 0.000 0.786 252 A CB -0.251 18.810 19.000 0.101 0.000 0.804 252 A HN 0.598 nan 8.150 nan 0.000 0.479 253 E N -0.217 120.000 120.200 0.027 0.000 2.562 253 E HA 0.014 4.362 4.350 -0.002 0.000 0.214 253 E C -0.451 176.158 176.600 0.015 0.000 0.979 253 E CA -0.391 56.022 56.400 0.021 0.000 1.002 253 E CB 0.148 29.860 29.700 0.020 0.000 1.048 253 E HN 0.520 nan 8.360 nan 0.000 0.488 254 D N 1.471 121.876 120.400 0.010 0.000 2.506 254 D HA -0.080 4.558 4.640 -0.002 0.000 0.234 254 D C 0.797 177.104 176.300 0.012 0.000 1.143 254 D CA 0.600 54.599 54.000 -0.001 0.000 0.871 254 D CB 1.022 41.812 40.800 -0.016 0.000 1.190 254 D HN 0.092 nan 8.370 nan 0.000 0.459 255 K N 0.854 121.259 120.400 0.008 0.000 2.211 255 K HA -0.087 4.232 4.320 -0.002 0.000 0.203 255 K C 0.976 177.602 176.600 0.042 0.000 1.050 255 K CA 0.315 56.618 56.287 0.027 0.000 0.945 255 K CB -0.022 32.489 32.500 0.018 0.000 0.732 255 K HN 0.162 nan 8.250 nan 0.000 0.451 256 S N 1.999 117.695 115.700 -0.006 0.000 2.430 256 S HA 0.004 4.473 4.470 -0.002 0.000 0.282 256 S C 1.084 175.627 174.600 -0.095 0.000 1.186 256 S CA -0.836 57.322 58.200 -0.070 0.000 1.060 256 S CB 0.121 63.233 63.200 -0.148 0.000 0.966 256 S HN 0.443 nan 8.310 nan 0.000 0.501 257 W N 6.477 127.784 121.300 0.013 0.000 2.538 257 W HA -0.106 4.552 4.660 -0.003 0.000 0.254 257 W C 0.997 177.552 176.519 0.059 0.000 1.249 257 W CA 0.109 57.472 57.345 0.029 0.000 1.253 257 W CB -0.646 28.825 29.460 0.018 0.000 1.130 257 W HN 0.672 nan 8.180 nan 0.000 0.618 258 R N 1.048 120.931 120.500 -1.028 0.000 2.052 258 R HA -0.078 4.260 4.340 -0.002 0.000 0.226 258 R C 2.581 178.702 176.300 -0.298 0.000 1.145 258 R CA 1.812 57.360 56.100 -0.920 0.000 0.952 258 R CB -0.931 28.846 30.300 -0.873 0.000 0.847 258 R HN -0.007 nan 8.270 nan 0.000 0.431 259 V N 1.738 121.519 119.914 -0.221 0.000 2.250 259 V HA -0.363 3.755 4.120 -0.002 0.000 0.253 259 V C 2.370 178.456 176.094 -0.014 0.000 1.065 259 V CA 2.045 64.293 62.300 -0.086 0.000 1.039 259 V CB -0.610 31.169 31.823 -0.074 0.000 0.647 259 V HN 0.350 nan 8.190 nan 0.000 0.446 260 R N -1.257 119.245 120.500 0.003 0.000 2.073 260 R HA -0.209 4.129 4.340 -0.002 0.000 0.234 260 R C 2.342 178.680 176.300 0.062 0.000 1.134 260 R CA 2.102 58.227 56.100 0.043 0.000 0.952 260 R CB -0.723 29.617 30.300 0.067 0.000 0.850 260 R HN 0.619 nan 8.270 nan 0.000 0.433 261 Y N 1.296 121.589 120.300 -0.012 0.000 2.193 261 Y HA -0.267 4.282 4.550 -0.002 0.000 0.285 261 Y C 2.333 178.231 175.900 -0.002 0.000 1.166 261 Y CA 1.510 59.619 58.100 0.015 0.000 1.181 261 Y CB -0.095 38.397 38.460 0.054 0.000 0.976 261 Y HN -0.036 nan 8.280 nan 0.000 0.520 262 M N -0.992 118.709 119.600 0.167 0.000 2.086 262 M HA -0.220 4.259 4.480 -0.002 0.000 0.261 262 M C 2.188 178.516 176.300 0.046 0.000 1.067 262 M CA 1.417 56.786 55.300 0.114 0.000 1.116 262 M CB -1.183 31.465 32.600 0.082 0.000 1.348 262 M HN 0.244 nan 8.290 nan 0.000 0.407 263 V N 0.588 120.534 119.914 0.053 0.000 2.231 263 V HA -0.319 3.799 4.120 -0.002 0.000 0.248 263 V C 2.658 178.832 176.094 0.134 0.000 1.054 263 V CA 2.225 64.590 62.300 0.108 0.000 1.015 263 V CB -1.432 30.464 31.823 0.122 0.000 0.638 263 V HN 0.541 nan 8.190 nan 0.000 0.444 264 A N -0.281 122.503 122.820 -0.061 0.000 1.908 264 A HA -0.342 3.976 4.320 -0.002 0.000 0.218 264 A C 2.036 179.519 177.584 -0.168 0.000 1.181 264 A CA 2.443 54.336 52.037 -0.241 0.000 0.627 264 A CB -0.821 17.920 19.000 -0.431 0.000 0.818 264 A HN 0.648 nan 8.150 nan 0.000 0.445 265 D N -1.088 119.170 120.400 -0.236 0.000 2.219 265 D HA -0.067 4.572 4.640 -0.002 0.000 0.205 265 D C 1.289 177.601 176.300 0.020 0.000 0.970 265 D CA 0.932 54.843 54.000 -0.150 0.000 0.851 265 D CB 0.109 40.812 40.800 -0.163 0.000 0.943 265 D HN 0.179 nan 8.370 nan 0.000 0.488 266 K N -0.272 120.168 120.400 0.066 0.000 2.498 266 K HA 0.052 4.371 4.320 -0.002 0.000 0.207 266 K C 0.645 177.329 176.600 0.139 0.000 1.033 266 K CA -0.332 56.011 56.287 0.094 0.000 1.138 266 K CB -0.040 32.505 32.500 0.075 0.000 0.860 266 K HN 0.183 nan 8.250 nan 0.000 0.490 267 F N 2.697 122.639 119.950 -0.013 0.000 1.988 267 F HA -0.300 4.225 4.527 -0.003 0.000 0.296 267 F C 2.696 178.532 175.800 0.060 0.000 1.178 267 F CA 2.576 60.579 58.000 0.004 0.000 1.174 267 F CB -0.886 38.100 39.000 -0.023 0.000 0.963 267 F HN 0.214 nan 8.300 nan 0.000 0.489 268 T N -1.783 112.930 114.554 0.265 0.000 2.760 268 T HA -0.269 4.080 4.350 -0.002 0.000 0.269 268 T C 1.663 176.414 174.700 0.084 0.000 1.047 268 T CA 1.865 64.085 62.100 0.201 0.000 1.139 268 T CB -0.616 68.379 68.868 0.210 0.000 0.855 268 T HN 0.253 nan 8.240 nan 0.000 0.471 269 E N 0.999 121.237 120.200 0.064 0.000 2.153 269 E HA 0.113 4.462 4.350 -0.002 0.000 0.194 269 E C 2.108 178.702 176.600 -0.010 0.000 0.988 269 E CA 0.728 57.146 56.400 0.030 0.000 0.811 269 E CB -0.478 29.243 29.700 0.036 0.000 0.746 269 E HN 0.518 nan 8.360 nan 0.000 0.466 270 L N 0.410 121.603 121.223 -0.050 0.000 1.993 270 L HA -0.209 4.129 4.340 -0.002 0.000 0.206 270 L C 2.704 179.509 176.870 -0.108 0.000 1.074 270 L CA 1.519 56.295 54.840 -0.107 0.000 0.746 270 L CB -0.534 41.397 42.059 -0.215 0.000 0.896 270 L HN 0.207 nan 8.230 nan 0.000 0.435 271 Q N 0.679 120.401 119.800 -0.132 0.000 1.978 271 Q HA -0.297 4.041 4.340 -0.002 0.000 0.211 271 Q C 1.594 177.580 176.000 -0.023 0.000 1.013 271 Q CA 1.962 57.738 55.803 -0.044 0.000 0.869 271 Q CB -0.179 28.622 28.738 0.105 0.000 0.953 271 Q HN 0.262 nan 8.270 nan 0.000 0.415 272 K N -0.348 120.050 120.400 -0.003 0.000 2.699 272 K HA -0.078 4.240 4.320 -0.002 0.000 0.197 272 K C 0.707 177.294 176.600 -0.022 0.000 1.017 272 K CA 0.718 57.000 56.287 -0.009 0.000 1.006 272 K CB 0.059 32.561 32.500 0.004 0.000 0.819 272 K HN 0.408 nan 8.250 nan 0.000 0.493 273 A N -0.705 122.095 122.820 -0.033 0.000 2.334 273 A HA 0.057 4.375 4.320 -0.002 0.000 0.184 273 A C 1.389 178.946 177.584 -0.045 0.000 1.594 273 A CA -0.237 51.776 52.037 -0.039 0.000 1.162 273 A CB 0.549 19.523 19.000 -0.043 0.000 1.426 273 A HN 0.086 nan 8.150 nan 0.000 0.494 274 V N 0.220 120.105 119.914 -0.047 0.000 3.650 274 V HA 0.449 4.567 4.120 -0.002 0.000 0.271 274 V C 0.916 176.989 176.094 -0.034 0.000 1.281 274 V CA 1.489 63.763 62.300 -0.044 0.000 1.120 274 V CB -0.217 31.574 31.823 -0.054 0.000 0.856 274 V HN 1.555 nan 8.190 nan 0.000 0.443 275 G N 1.053 109.833 108.800 -0.033 0.000 2.777 275 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.686 275 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.686 275 G C -1.440 173.441 174.900 -0.031 0.000 1.177 275 G CA -0.135 44.947 45.100 -0.031 0.000 0.775 275 G HN 0.194 nan 8.290 nan 0.000 0.613 276 P HA -0.121 nan 4.420 nan 0.000 0.220 276 P C 1.196 178.473 177.300 -0.038 0.000 1.148 276 P CA 1.672 64.742 63.100 -0.050 0.000 0.803 276 P CB 0.302 31.967 31.700 -0.057 0.000 0.782 277 E N 0.137 120.320 120.200 -0.028 0.000 2.016 277 E HA -0.104 4.245 4.350 -0.002 0.000 0.190 277 E C 2.171 178.766 176.600 -0.008 0.000 0.985 277 E CA 0.834 57.223 56.400 -0.019 0.000 0.802 277 E CB -0.229 29.462 29.700 -0.016 0.000 0.762 277 E HN 0.034 nan 8.360 nan 0.000 0.448 278 I N 1.575 122.141 120.570 -0.007 0.000 2.335 278 I HA -0.235 3.934 4.170 -0.002 0.000 0.251 278 I C 2.305 178.431 176.117 0.016 0.000 1.129 278 I CA 1.223 62.525 61.300 0.003 0.000 1.402 278 I CB -1.388 36.608 38.000 -0.005 0.000 1.069 278 I HN 0.222 nan 8.210 nan 0.000 0.424 279 T N 2.296 116.858 114.554 0.012 0.000 2.545 279 T HA -0.235 4.114 4.350 -0.002 0.000 0.261 279 T C 1.869 176.618 174.700 0.080 0.000 1.097 279 T CA 2.131 64.261 62.100 0.051 0.000 1.189 279 T CB -0.431 68.452 68.868 0.024 0.000 0.863 279 T HN 0.483 nan 8.240 nan 0.000 0.405 280 K N 0.942 121.358 120.400 0.028 0.000 2.286 280 K HA -0.131 4.188 4.320 -0.002 0.000 0.203 280 K C 2.034 178.662 176.600 0.047 0.000 1.045 280 K CA 1.692 57.996 56.287 0.029 0.000 0.935 280 K CB -0.591 31.897 32.500 -0.019 0.000 0.737 280 K HN 0.270 nan 8.250 nan 0.000 0.460 281 T N 1.040 115.617 114.554 0.039 0.000 2.770 281 T HA -0.055 4.293 4.350 -0.002 0.000 0.258 281 T C 0.848 175.582 174.700 0.056 0.000 1.039 281 T CA 1.627 63.749 62.100 0.038 0.000 1.143 281 T CB -0.142 68.740 68.868 0.024 0.000 0.866 281 T HN 0.382 nan 8.240 nan 0.000 0.428 282 D N 0.432 120.870 120.400 0.063 0.000 2.615 282 D HA 0.250 4.889 4.640 -0.002 0.000 0.259 282 D C 2.119 178.490 176.300 0.119 0.000 0.999 282 D CA 0.149 54.193 54.000 0.075 0.000 0.938 282 D CB -0.338 40.493 40.800 0.052 0.000 1.121 282 D HN 0.154 nan 8.370 nan 0.000 0.487 283 L N 0.799 122.101 121.223 0.132 0.000 2.079 283 L HA -0.124 4.214 4.340 -0.002 0.000 0.210 283 L C 2.217 179.314 176.870 0.378 0.000 1.081 283 L CA 0.765 55.736 54.840 0.219 0.000 0.752 283 L CB -0.479 41.648 42.059 0.114 0.000 0.896 283 L HN -0.000 nan 8.230 nan 0.000 0.433 284 V N 0.042 120.151 119.914 0.325 0.000 2.295 284 V HA -0.155 3.964 4.120 -0.002 0.000 0.246 284 V C -0.180 176.063 176.094 0.248 0.000 1.049 284 V CA 1.879 64.371 62.300 0.321 0.000 1.024 284 V CB -1.671 30.284 31.823 0.220 0.000 0.648 284 V HN 0.336 nan 8.190 nan 0.000 0.447 285 P HA -0.105 nan 4.420 nan 0.000 0.220 285 P C 1.532 178.916 177.300 0.141 0.000 1.148 285 P CA 1.791 64.971 63.100 0.134 0.000 0.803 285 P CB -0.055 31.704 31.700 0.098 0.000 0.782 286 A N -0.793 122.144 122.820 0.195 0.000 1.835 286 A HA -0.140 4.178 4.320 -0.002 0.000 0.213 286 A C 2.010 179.677 177.584 0.139 0.000 1.210 286 A CA 0.982 53.133 52.037 0.189 0.000 0.605 286 A CB -1.815 17.358 19.000 0.289 0.000 0.860 286 A HN 0.127 nan 8.150 nan 0.000 0.447 287 F N 1.134 121.102 119.950 0.029 0.000 2.271 287 F HA -0.244 4.281 4.527 -0.002 0.000 0.302 287 F C 2.408 178.082 175.800 -0.211 0.000 1.063 287 F CA 2.030 59.807 58.000 -0.370 0.000 1.362 287 F CB -0.115 38.613 39.000 -0.454 0.000 1.060 287 F HN 0.346 nan 8.300 nan 0.000 0.521 288 Q N -0.345 119.558 119.800 0.172 0.000 2.049 288 Q HA -0.160 4.179 4.340 -0.002 0.000 0.198 288 Q C 1.826 177.822 176.000 -0.007 0.000 0.971 288 Q CA 1.328 57.199 55.803 0.113 0.000 0.833 288 Q CB -0.309 28.499 28.738 0.116 0.000 0.896 288 Q HN 0.437 nan 8.270 nan 0.000 0.434 289 N N 0.694 119.383 118.700 -0.018 0.000 2.331 289 N HA -0.061 4.678 4.740 -0.002 0.000 0.180 289 N C 1.850 177.295 175.510 -0.107 0.000 1.019 289 N CA 0.746 53.772 53.050 -0.041 0.000 0.881 289 N CB -0.025 38.457 38.487 -0.009 0.000 0.972 289 N HN 0.237 nan 8.380 nan 0.000 0.435 290 L N 0.313 121.407 121.223 -0.215 0.000 2.109 290 L HA 0.062 4.400 4.340 -0.002 0.000 0.207 290 L C 2.111 178.788 176.870 -0.321 0.000 1.086 290 L CA 0.743 55.399 54.840 -0.306 0.000 0.760 290 L CB -0.328 41.416 42.059 -0.526 0.000 0.910 290 L HN 0.107 nan 8.230 nan 0.000 0.437 291 M N -0.336 119.046 119.600 -0.363 0.000 2.549 291 M HA -0.127 4.351 4.480 -0.002 0.000 0.260 291 M C 0.965 177.185 176.300 -0.134 0.000 1.076 291 M CA 1.426 56.568 55.300 -0.264 0.000 1.090 291 M CB -0.082 32.402 32.600 -0.193 0.000 1.418 291 M HN 0.147 nan 8.290 nan 0.000 0.486 292 K N -0.368 119.968 120.400 -0.106 0.000 2.537 292 K HA 0.139 4.458 4.320 -0.002 0.000 0.206 292 K C -0.527 176.042 176.600 -0.052 0.000 1.041 292 K CA -0.224 56.027 56.287 -0.059 0.000 1.090 292 K CB 0.356 32.837 32.500 -0.032 0.000 0.833 292 K HN 0.026 nan 8.250 nan 0.000 0.493 293 D N 0.772 121.131 120.400 -0.068 0.000 2.350 293 D HA -0.014 4.624 4.640 -0.002 0.000 0.249 293 D C 1.440 177.723 176.300 -0.028 0.000 1.119 293 D CA -0.529 53.447 54.000 -0.040 0.000 0.886 293 D CB 0.977 41.756 40.800 -0.035 0.000 1.195 293 D HN 0.281 nan 8.370 nan 0.000 0.437 294 C N 2.341 121.632 119.300 -0.014 0.000 2.401 294 C HA -0.104 4.354 4.460 -0.002 0.000 0.276 294 C C 1.214 176.181 174.990 -0.039 0.000 1.233 294 C CA 0.241 59.246 59.018 -0.022 0.000 1.753 294 C CB -1.066 26.668 27.740 -0.011 0.000 2.029 294 C HN 0.634 nan 8.230 nan 0.000 0.478 295 E N 1.355 121.541 120.200 -0.024 0.000 2.104 295 E HA 0.490 4.839 4.350 -0.002 0.000 0.278 295 E C 1.071 177.639 176.600 -0.054 0.000 1.127 295 E CA 0.365 56.724 56.400 -0.069 0.000 0.897 295 E CB 0.738 30.425 29.700 -0.020 0.000 1.043 295 E HN 0.454 nan 8.360 nan 0.000 0.410 296 A N 5.566 128.334 122.820 -0.086 0.000 2.042 296 A HA -0.230 4.089 4.320 -0.002 0.000 0.222 296 A C 1.621 179.189 177.584 -0.027 0.000 1.167 296 A CA 1.563 53.564 52.037 -0.061 0.000 0.649 296 A CB -0.365 18.599 19.000 -0.060 0.000 0.809 296 A HN 0.636 nan 8.150 nan 0.000 0.457 297 E N -0.414 119.777 120.200 -0.014 0.000 2.208 297 E HA -0.056 4.293 4.350 -0.002 0.000 0.193 297 E C 2.141 178.937 176.600 0.326 0.000 0.988 297 E CA 1.120 57.605 56.400 0.142 0.000 0.828 297 E CB -0.378 29.356 29.700 0.057 0.000 0.763 297 E HN 0.485 nan 8.360 nan 0.000 0.478 298 V N 1.363 121.417 119.914 0.233 0.000 2.273 298 V HA -0.171 3.947 4.120 -0.002 0.000 0.242 298 V C 2.381 178.434 176.094 -0.068 0.000 1.035 298 V CA 1.287 63.672 62.300 0.140 0.000 1.013 298 V CB -0.467 31.427 31.823 0.119 0.000 0.652 298 V HN 0.149 nan 8.190 nan 0.000 0.452 299 R N 0.640 121.091 120.500 -0.082 0.000 2.136 299 R HA -0.282 4.057 4.340 -0.002 0.000 0.242 299 R C 2.455 178.654 176.300 -0.169 0.000 1.131 299 R CA 1.936 57.949 56.100 -0.144 0.000 0.937 299 R CB -1.036 29.201 30.300 -0.105 0.000 0.863 299 R HN 0.535 nan 8.270 nan 0.000 0.435 300 A N 1.322 124.048 122.820 -0.157 0.000 1.903 300 A HA -0.222 4.097 4.320 -0.002 0.000 0.219 300 A C 2.466 179.938 177.584 -0.187 0.000 1.191 300 A CA 2.156 54.047 52.037 -0.244 0.000 0.638 300 A CB -0.822 17.916 19.000 -0.437 0.000 0.823 300 A HN 0.491 nan 8.150 nan 0.000 0.451 301 A N -0.420 122.298 122.820 -0.169 0.000 1.908 301 A HA 0.110 4.428 4.320 -0.002 0.000 0.218 301 A C 2.518 179.957 177.584 -0.242 0.000 1.181 301 A CA 2.432 54.313 52.037 -0.259 0.000 0.627 301 A CB -1.069 17.540 19.000 -0.652 0.000 0.818 301 A HN 1.113 nan 8.150 nan 0.000 0.445 302 A N -0.482 122.134 122.820 -0.340 0.000 1.832 302 A HA -0.054 4.264 4.320 -0.002 0.000 0.214 302 A C 2.365 179.804 177.584 -0.243 0.000 1.200 302 A CA 1.981 53.715 52.037 -0.505 0.000 0.610 302 A CB -1.168 17.358 19.000 -0.789 0.000 0.842 302 A HN 0.503 nan 8.150 nan 0.000 0.444 303 S N -0.744 114.860 115.700 -0.161 0.000 2.441 303 S HA -0.210 4.258 4.470 -0.002 0.000 0.242 303 S C 1.424 176.073 174.600 0.082 0.000 1.018 303 S CA 1.728 59.922 58.200 -0.010 0.000 0.988 303 S CB -0.471 62.715 63.200 -0.023 0.000 0.778 303 S HN 0.700 nan 8.310 nan 0.000 0.498 304 H N 0.611 119.643 119.070 -0.063 0.000 2.610 304 H HA 0.306 4.860 4.556 -0.002 0.000 0.302 304 H C 1.237 176.578 175.328 0.022 0.000 1.063 304 H CA 0.296 56.334 56.048 -0.017 0.000 1.159 304 H CB 0.100 29.844 29.762 -0.030 0.000 1.427 304 H HN 0.028 nan 8.280 nan 0.000 0.553 305 K N -1.610 118.840 120.400 0.084 0.000 2.658 305 K HA 0.090 4.409 4.320 -0.002 0.000 0.202 305 K C 1.779 178.523 176.600 0.240 0.000 1.563 305 K CA 0.421 56.794 56.287 0.143 0.000 1.129 305 K CB 0.223 32.823 32.500 0.166 0.000 1.507 305 K HN 0.050 nan 8.250 nan 0.000 0.581 306 V N 3.127 123.232 119.914 0.320 0.000 2.313 306 V HA -0.398 3.721 4.120 -0.002 0.000 0.261 306 V C 2.533 178.724 176.094 0.163 0.000 1.096 306 V CA 2.683 65.174 62.300 0.319 0.000 1.090 306 V CB -0.401 31.578 31.823 0.260 0.000 0.683 306 V HN 0.384 nan 8.190 nan 0.000 0.452 307 K N 0.064 120.521 120.400 0.095 0.000 1.963 307 K HA -0.249 4.070 4.320 -0.002 0.000 0.216 307 K C 2.255 178.883 176.600 0.046 0.000 1.045 307 K CA 2.063 58.373 56.287 0.038 0.000 0.954 307 K CB -0.517 31.983 32.500 -0.001 0.000 0.732 307 K HN 0.494 nan 8.250 nan 0.000 0.442 308 E N -0.626 119.610 120.200 0.060 0.000 2.284 308 E HA -0.235 4.113 4.350 -0.002 0.000 0.200 308 E C 1.727 178.393 176.600 0.111 0.000 1.008 308 E CA 1.148 57.588 56.400 0.066 0.000 0.829 308 E CB -0.152 29.593 29.700 0.076 0.000 0.744 308 E HN 0.444 nan 8.360 nan 0.000 0.491 309 F N -0.181 119.760 119.950 -0.015 0.000 2.293 309 F HA -0.052 4.474 4.527 -0.002 0.000 0.297 309 F C 1.978 177.710 175.800 -0.113 0.000 1.089 309 F CA 0.820 58.789 58.000 -0.051 0.000 1.377 309 F CB -0.303 38.626 39.000 -0.119 0.000 1.051 309 F HN 0.098 nan 8.300 nan 0.000 0.511 310 C N 0.662 119.832 119.300 -0.217 0.000 2.485 310 C HA -0.027 4.431 4.460 -0.002 0.000 0.278 310 C C 2.175 177.031 174.990 -0.224 0.000 1.356 310 C CA 0.580 59.414 59.018 -0.307 0.000 1.747 310 C CB -1.101 26.546 27.740 -0.155 0.000 2.001 310 C HN 0.424 nan 8.230 nan 0.000 0.501 311 E N 1.357 121.477 120.200 -0.133 0.000 2.533 311 E HA -0.050 4.298 4.350 -0.002 0.000 0.201 311 E C 0.333 176.864 176.600 -0.115 0.000 1.097 311 E CA 0.366 56.706 56.400 -0.101 0.000 0.887 311 E CB -0.175 29.491 29.700 -0.058 0.000 0.855 311 E HN 0.623 nan 8.360 nan 0.000 0.540 312 N N 0.394 118.986 118.700 -0.180 0.000 2.307 312 N HA 0.151 4.890 4.740 -0.002 0.000 0.248 312 N C -0.649 174.721 175.510 -0.234 0.000 1.322 312 N CA 0.010 52.960 53.050 -0.167 0.000 0.861 312 N CB 0.939 39.361 38.487 -0.108 0.000 1.303 312 N HN 0.047 nan 8.380 nan 0.000 0.498 313 L N 1.168 122.221 121.223 -0.283 0.000 2.379 313 L HA 0.344 4.683 4.340 -0.002 0.000 0.269 313 L C 1.075 177.844 176.870 -0.168 0.000 1.084 313 L CA -0.579 54.094 54.840 -0.278 0.000 0.802 313 L CB 0.952 42.819 42.059 -0.321 0.000 1.175 313 L HN 0.055 nan 8.230 nan 0.000 0.448 314 S N 0.945 116.567 115.700 -0.130 0.000 2.563 314 S HA 0.133 4.602 4.470 -0.002 0.000 0.284 314 S C 1.186 175.735 174.600 -0.085 0.000 1.331 314 S CA -0.183 57.962 58.200 -0.091 0.000 1.047 314 S CB 1.182 64.339 63.200 -0.071 0.000 0.859 314 S HN 0.745 nan 8.310 nan 0.000 0.514 315 A N 3.074 125.853 122.820 -0.068 0.000 1.869 315 A HA -0.261 4.058 4.320 -0.002 0.000 0.218 315 A C 2.030 179.581 177.584 -0.055 0.000 1.203 315 A CA 2.058 54.059 52.037 -0.060 0.000 0.638 315 A CB -1.400 17.572 19.000 -0.047 0.000 0.831 315 A HN 1.043 nan 8.150 nan 0.000 0.450 316 D N 0.663 121.035 120.400 -0.048 0.000 2.108 316 D HA -0.268 4.370 4.640 -0.002 0.000 0.190 316 D C 2.273 178.545 176.300 -0.046 0.000 0.995 316 D CA 2.381 56.356 54.000 -0.041 0.000 0.834 316 D CB -1.535 39.244 40.800 -0.035 0.000 0.967 316 D HN 0.692 nan 8.370 nan 0.000 0.446 317 C N 0.993 120.261 119.300 -0.054 0.000 2.476 317 C HA 0.090 4.548 4.460 -0.002 0.000 0.278 317 C C 2.743 177.688 174.990 -0.074 0.000 1.274 317 C CA 0.750 59.734 59.018 -0.057 0.000 1.713 317 C CB -1.077 26.628 27.740 -0.059 0.000 2.039 317 C HN 0.419 nan 8.230 nan 0.000 0.484 318 R N 1.873 122.315 120.500 -0.096 0.000 2.487 318 R HA -0.413 3.926 4.340 -0.002 0.000 0.192 318 R C 2.151 178.391 176.300 -0.100 0.000 0.995 318 R CA 2.974 59.003 56.100 -0.118 0.000 0.645 318 R CB -1.391 28.842 30.300 -0.113 0.000 0.840 318 R HN 0.730 nan 8.270 nan 0.000 0.351 319 E N -0.264 119.887 120.200 -0.082 0.000 2.236 319 E HA -0.316 4.033 4.350 -0.002 0.000 0.205 319 E C 1.740 178.298 176.600 -0.071 0.000 1.028 319 E CA 2.097 58.455 56.400 -0.070 0.000 0.827 319 E CB -0.247 29.422 29.700 -0.052 0.000 0.735 319 E HN 0.550 nan 8.360 nan 0.000 0.470 320 N N -0.547 118.116 118.700 -0.063 0.000 2.171 320 N HA -0.145 4.594 4.740 -0.002 0.000 0.184 320 N C 1.913 177.386 175.510 -0.061 0.000 1.021 320 N CA 1.863 54.879 53.050 -0.056 0.000 0.854 320 N CB 0.026 38.489 38.487 -0.040 0.000 0.994 320 N HN 0.191 nan 8.380 nan 0.000 0.426 321 V N -0.645 119.231 119.914 -0.063 0.000 2.307 321 V HA -0.053 4.065 4.120 -0.002 0.000 0.245 321 V C 2.037 178.094 176.094 -0.062 0.000 1.045 321 V CA 1.446 63.714 62.300 -0.053 0.000 1.024 321 V CB -0.897 30.890 31.823 -0.060 0.000 0.651 321 V HN 0.276 nan 8.190 nan 0.000 0.449 322 I N -0.734 119.784 120.570 -0.086 0.000 2.800 322 I HA -0.201 3.967 4.170 -0.002 0.000 0.266 322 I C 2.429 178.488 176.117 -0.097 0.000 1.249 322 I CA 2.386 63.635 61.300 -0.086 0.000 1.458 322 I CB -0.138 37.805 38.000 -0.096 0.000 1.093 322 I HN 0.414 nan 8.210 nan 0.000 0.466 323 M N -1.915 117.613 119.600 -0.120 0.000 2.470 323 M HA 0.025 4.503 4.480 -0.002 0.000 0.262 323 M C 1.874 178.081 176.300 -0.154 0.000 1.211 323 M CA 0.500 55.678 55.300 -0.202 0.000 1.125 323 M CB 0.641 33.084 32.600 -0.262 0.000 1.480 323 M HN -0.050 nan 8.290 nan 0.000 0.541 324 S N -0.699 114.949 115.700 -0.086 0.000 2.505 324 S HA 0.100 4.569 4.470 -0.002 0.000 0.216 324 S C 1.453 176.044 174.600 -0.015 0.000 1.018 324 S CA 0.263 58.435 58.200 -0.046 0.000 0.911 324 S CB 0.285 63.466 63.200 -0.031 0.000 0.818 324 S HN 0.400 nan 8.310 nan 0.000 0.497 325 Q N 0.340 120.135 119.800 -0.009 0.000 2.481 325 Q HA 0.332 4.671 4.340 -0.002 0.000 0.219 325 Q C 1.617 177.645 176.000 0.047 0.000 0.920 325 Q CA 0.649 56.468 55.803 0.026 0.000 0.915 325 Q CB -0.483 28.277 28.738 0.037 0.000 1.057 325 Q HN 0.431 nan 8.270 nan 0.000 0.581 326 I N 0.526 121.114 120.570 0.031 0.000 2.385 326 I HA -0.104 4.065 4.170 -0.002 0.000 0.244 326 I C 2.146 178.291 176.117 0.046 0.000 1.089 326 I CA 0.481 61.817 61.300 0.059 0.000 1.410 326 I CB -0.706 37.316 38.000 0.038 0.000 1.117 326 I HN 0.051 nan 8.210 nan 0.000 0.429 327 L N 1.064 122.289 121.223 0.004 0.000 2.089 327 L HA -0.204 4.135 4.340 -0.002 0.000 0.213 327 L C -0.505 176.381 176.870 0.027 0.000 1.079 327 L CA 2.390 57.233 54.840 0.004 0.000 0.758 327 L CB -1.562 40.466 42.059 -0.051 0.000 0.891 327 L HN 0.179 nan 8.230 nan 0.000 0.433 328 P HA -0.126 nan 4.420 nan 0.000 0.218 328 P C 1.736 179.060 177.300 0.039 0.000 1.148 328 P CA 1.396 64.516 63.100 0.032 0.000 0.822 328 P CB -0.134 31.583 31.700 0.029 0.000 0.784 329 C N -1.533 117.797 119.300 0.049 0.000 2.475 329 C HA 0.064 4.523 4.460 -0.002 0.000 0.279 329 C C 2.500 177.518 174.990 0.046 0.000 1.322 329 C CA 0.331 59.378 59.018 0.049 0.000 1.734 329 C CB -1.403 26.381 27.740 0.074 0.000 2.005 329 C HN 0.187 nan 8.230 nan 0.000 0.495 330 I N 0.572 121.176 120.570 0.057 0.000 2.928 330 I HA -0.096 4.072 4.170 -0.002 0.000 0.266 330 I C 2.393 178.540 176.117 0.050 0.000 1.234 330 I CA 0.864 62.197 61.300 0.055 0.000 1.483 330 I CB -0.485 37.554 38.000 0.065 0.000 1.097 330 I HN 0.257 nan 8.210 nan 0.000 0.455 331 K N 0.943 121.371 120.400 0.047 0.000 2.097 331 K HA -0.124 4.195 4.320 -0.002 0.000 0.205 331 K C 1.916 178.537 176.600 0.036 0.000 1.050 331 K CA 1.202 57.516 56.287 0.046 0.000 0.938 331 K CB -0.013 32.515 32.500 0.046 0.000 0.718 331 K HN 0.313 nan 8.250 nan 0.000 0.442 332 E N 0.756 120.973 120.200 0.029 0.000 2.033 332 E HA -0.048 4.300 4.350 -0.002 0.000 0.189 332 E C 1.995 178.604 176.600 0.014 0.000 0.979 332 E CA 0.490 56.901 56.400 0.019 0.000 0.802 332 E CB -0.308 29.400 29.700 0.013 0.000 0.763 332 E HN 0.239 nan 8.360 nan 0.000 0.449 333 L N 1.410 122.642 121.223 0.014 0.000 2.740 333 L HA -0.088 4.250 4.340 -0.002 0.000 0.242 333 L C 1.763 178.644 176.870 0.018 0.000 1.175 333 L CA 0.111 54.956 54.840 0.008 0.000 0.859 333 L CB -0.206 41.856 42.059 0.006 0.000 0.992 333 L HN -0.056 nan 8.230 nan 0.000 0.454 334 V N -2.440 117.489 119.914 0.026 0.000 3.212 334 V HA 0.005 4.124 4.120 -0.002 0.000 0.244 334 V C 1.581 177.689 176.094 0.023 0.000 1.151 334 V CA 0.763 63.082 62.300 0.032 0.000 1.119 334 V CB 0.859 32.709 31.823 0.044 0.000 0.838 334 V HN 0.287 nan 8.190 nan 0.000 0.470 335 S N 0.255 115.965 115.700 0.018 0.000 2.602 335 S HA 0.170 4.638 4.470 -0.002 0.000 0.246 335 S C 0.214 174.819 174.600 0.007 0.000 1.009 335 S CA -0.269 57.938 58.200 0.013 0.000 1.052 335 S CB -0.337 62.871 63.200 0.013 0.000 0.778 335 S HN 0.498 nan 8.310 nan 0.000 0.455 336 D N 1.438 121.841 120.400 0.005 0.000 2.339 336 D HA 0.386 5.025 4.640 -0.002 0.000 0.245 336 D C 1.011 177.311 176.300 -0.001 0.000 1.115 336 D CA -0.050 53.949 54.000 -0.002 0.000 0.917 336 D CB 1.451 42.247 40.800 -0.007 0.000 1.192 336 D HN 0.207 nan 8.370 nan 0.000 0.428 337 A N 3.786 126.603 122.820 -0.005 0.000 1.903 337 A HA -0.093 4.226 4.320 -0.002 0.000 0.213 337 A C 1.210 178.794 177.584 -0.001 0.000 1.185 337 A CA 0.286 52.321 52.037 -0.004 0.000 0.628 337 A CB -0.287 18.707 19.000 -0.009 0.000 0.830 337 A HN 0.661 nan 8.150 nan 0.000 0.446 338 N N 1.009 119.708 118.700 -0.003 0.000 2.452 338 N HA 0.004 4.742 4.740 -0.002 0.000 0.266 338 N C 0.315 175.840 175.510 0.025 0.000 1.209 338 N CA 0.209 53.264 53.050 0.009 0.000 0.929 338 N CB 0.699 39.187 38.487 0.002 0.000 1.063 338 N HN 0.502 nan 8.380 nan 0.000 0.472 339 Q N 1.796 121.621 119.800 0.040 0.000 2.444 339 Q HA -0.106 4.232 4.340 -0.002 0.000 0.206 339 Q C 0.568 176.628 176.000 0.099 0.000 0.948 339 Q CA 0.488 56.321 55.803 0.051 0.000 0.946 339 Q CB 0.046 28.806 28.738 0.036 0.000 1.027 339 Q HN 0.650 nan 8.270 nan 0.000 0.513 340 H N 0.168 119.229 119.070 -0.015 0.000 2.520 340 H HA 0.068 4.623 4.556 -0.002 0.000 0.279 340 H C 1.636 176.955 175.328 -0.015 0.000 0.990 340 H CA 0.484 56.520 56.048 -0.020 0.000 1.288 340 H CB 0.162 29.906 29.762 -0.030 0.000 1.446 340 H HN -0.034 nan 8.280 nan 0.000 0.538 341 V N 1.323 121.184 119.914 -0.087 0.000 2.229 341 V HA -0.215 3.903 4.120 -0.002 0.000 0.243 341 V C 2.228 178.287 176.094 -0.059 0.000 1.042 341 V CA 2.210 64.426 62.300 -0.141 0.000 1.000 341 V CB -0.405 31.371 31.823 -0.078 0.000 0.637 341 V HN 0.378 nan 8.190 nan 0.000 0.446 342 K N 0.304 120.699 120.400 -0.007 0.000 2.152 342 K HA -0.182 4.137 4.320 -0.002 0.000 0.206 342 K C 2.405 179.032 176.600 0.046 0.000 1.048 342 K CA 1.679 57.980 56.287 0.023 0.000 0.933 342 K CB -0.369 32.147 32.500 0.027 0.000 0.721 342 K HN 0.411 nan 8.250 nan 0.000 0.447 343 S N 0.533 116.267 115.700 0.058 0.000 2.406 343 S HA -0.027 4.442 4.470 -0.002 0.000 0.228 343 S C 2.042 176.704 174.600 0.105 0.000 1.020 343 S CA 0.858 59.111 58.200 0.088 0.000 0.965 343 S CB -0.062 63.209 63.200 0.118 0.000 0.798 343 S HN 0.374 nan 8.310 nan 0.000 0.488 344 A N 1.128 123.987 122.820 0.065 0.000 1.968 344 A HA 0.115 4.433 4.320 -0.002 0.000 0.217 344 A C 2.054 179.755 177.584 0.195 0.000 1.169 344 A CA 1.280 53.396 52.037 0.132 0.000 0.638 344 A CB -0.688 18.261 19.000 -0.085 0.000 0.812 344 A HN 0.536 nan 8.150 nan 0.000 0.446 345 L N -0.080 121.199 121.223 0.095 0.000 1.973 345 L HA 0.010 4.349 4.340 -0.002 0.000 0.208 345 L C 2.698 179.620 176.870 0.087 0.000 1.073 345 L CA 2.323 57.212 54.840 0.081 0.000 0.746 345 L CB -0.977 41.115 42.059 0.056 0.000 0.891 345 L HN 0.306 nan 8.230 nan 0.000 0.433 346 A N -0.753 122.123 122.820 0.094 0.000 2.032 346 A HA -0.241 4.077 4.320 -0.002 0.000 0.221 346 A C 2.374 180.016 177.584 0.098 0.000 1.165 346 A CA 2.013 54.116 52.037 0.111 0.000 0.645 346 A CB -1.248 17.821 19.000 0.115 0.000 0.807 346 A HN 0.721 nan 8.150 nan 0.000 0.453 347 S N -0.716 115.042 115.700 0.097 0.000 2.465 347 S HA -0.068 4.401 4.470 -0.002 0.000 0.241 347 S C 1.240 175.859 174.600 0.031 0.000 1.000 347 S CA 1.583 59.831 58.200 0.081 0.000 0.964 347 S CB -0.584 62.696 63.200 0.134 0.000 0.763 347 S HN 1.371 nan 8.310 nan 0.000 0.512 348 V N -3.288 116.636 119.914 0.018 0.000 3.356 348 V HA 0.431 4.550 4.120 -0.002 0.000 0.274 348 V C 1.422 177.506 176.094 -0.016 0.000 1.631 348 V CA -0.009 62.280 62.300 -0.019 0.000 1.025 348 V CB -0.787 31.002 31.823 -0.058 0.000 0.840 348 V HN 0.358 nan 8.190 nan 0.000 0.419 349 I N 0.529 121.105 120.570 0.010 0.000 2.502 349 I HA -0.189 3.980 4.170 -0.002 0.000 0.258 349 I C 2.028 178.107 176.117 -0.063 0.000 1.172 349 I CA 1.778 63.080 61.300 0.004 0.000 1.430 349 I CB 0.193 38.223 38.000 0.049 0.000 1.086 349 I HN 0.290 nan 8.210 nan 0.000 0.440 350 M N -0.099 119.434 119.600 -0.111 0.000 2.556 350 M HA 0.128 4.606 4.480 -0.002 0.000 0.245 350 M C 1.866 178.063 176.300 -0.172 0.000 1.128 350 M CA 0.558 55.712 55.300 -0.243 0.000 1.069 350 M CB -1.089 31.285 32.600 -0.376 0.000 1.469 350 M HN 0.281 nan 8.290 nan 0.000 0.494 351 G N -0.475 108.264 108.800 -0.103 0.000 3.124 351 G HA2 0.160 4.118 3.960 -0.002 0.000 0.212 351 G HA3 0.160 4.118 3.960 -0.002 0.000 0.212 351 G C 1.453 176.308 174.900 -0.074 0.000 1.181 351 G CA 0.018 45.070 45.100 -0.080 0.000 0.803 351 G HN 0.348 nan 8.290 nan 0.000 0.529 352 L N -0.506 120.666 121.223 -0.086 0.000 2.130 352 L HA 0.040 4.378 4.340 -0.002 0.000 0.200 352 L C 2.975 179.802 176.870 -0.071 0.000 1.075 352 L CA 0.848 55.646 54.840 -0.070 0.000 0.768 352 L CB -0.522 41.501 42.059 -0.060 0.000 0.933 352 L HN 0.305 nan 8.230 nan 0.000 0.451 353 S N 0.600 116.246 115.700 -0.090 0.000 2.393 353 S HA -0.131 4.338 4.470 -0.002 0.000 0.234 353 S C -0.947 173.619 174.600 -0.057 0.000 1.064 353 S CA 1.815 59.971 58.200 -0.074 0.000 1.088 353 S CB -1.183 61.958 63.200 -0.099 0.000 0.939 353 S HN 0.213 nan 8.310 nan 0.000 0.448 354 P HA 0.094 nan 4.420 nan 0.000 0.299 354 P C 0.378 177.651 177.300 -0.044 0.000 1.515 354 P CA 0.738 63.809 63.100 -0.049 0.000 0.770 354 P CB -0.482 31.187 31.700 -0.050 0.000 1.614 355 I N -2.284 118.259 120.570 -0.044 0.000 5.144 355 I HA 0.069 4.237 4.170 -0.002 0.000 0.368 355 I C 1.603 177.697 176.117 -0.037 0.000 1.191 355 I CA 0.021 61.296 61.300 -0.043 0.000 1.502 355 I CB 0.493 38.461 38.000 -0.052 0.000 1.842 355 I HN -0.114 nan 8.210 nan 0.000 0.617 356 L N 1.008 122.213 121.223 -0.030 0.000 2.664 356 L HA 0.403 4.742 4.340 -0.002 0.000 0.233 356 L C 0.887 177.755 176.870 -0.003 0.000 1.113 356 L CA 0.427 55.258 54.840 -0.015 0.000 0.896 356 L CB 0.435 42.491 42.059 -0.005 0.000 1.163 356 L HN 0.338 nan 8.230 nan 0.000 0.497 357 G N 1.193 109.986 108.800 -0.012 0.000 2.825 357 G HA2 -0.318 3.640 3.960 -0.002 0.000 0.684 357 G HA3 -0.318 3.640 3.960 -0.002 0.000 0.684 357 G C 0.543 175.443 174.900 -0.000 0.000 1.528 357 G CA 0.298 45.393 45.100 -0.008 0.000 0.963 357 G HN 0.265 nan 8.290 nan 0.000 0.577 358 K N 0.086 120.484 120.400 -0.003 0.000 2.007 358 K HA -0.326 3.993 4.320 -0.002 0.000 0.231 358 K C 1.942 178.545 176.600 0.005 0.000 1.044 358 K CA 2.807 59.094 56.287 -0.000 0.000 0.996 358 K CB -0.423 32.077 32.500 -0.001 0.000 0.738 358 K HN 0.638 nan 8.250 nan 0.000 0.447 359 D N 0.255 120.659 120.400 0.006 0.000 2.160 359 D HA -0.207 4.432 4.640 -0.002 0.000 0.189 359 D C 1.843 178.148 176.300 0.009 0.000 1.003 359 D CA 1.524 55.525 54.000 0.003 0.000 0.846 359 D CB -0.625 40.178 40.800 0.006 0.000 0.949 359 D HN 0.395 nan 8.370 nan 0.000 0.446 360 N N 0.159 118.892 118.700 0.054 0.000 2.120 360 N HA -0.101 4.638 4.740 -0.002 0.000 0.188 360 N C 1.813 177.387 175.510 0.106 0.000 1.024 360 N CA 1.066 54.204 53.050 0.148 0.000 0.852 360 N CB -0.645 37.945 38.487 0.172 0.000 1.003 360 N HN 0.173 nan 8.380 nan 0.000 0.424 361 T N 1.383 115.968 114.554 0.052 0.000 3.025 361 T HA 0.055 4.404 4.350 -0.002 0.000 0.270 361 T C 1.884 176.601 174.700 0.028 0.000 1.126 361 T CA 0.519 62.637 62.100 0.030 0.000 1.105 361 T CB 0.055 68.921 68.868 -0.003 0.000 0.884 361 T HN 0.253 nan 8.240 nan 0.000 0.522 362 I N -0.262 120.314 120.570 0.011 0.000 3.265 362 I HA 0.153 4.321 4.170 -0.002 0.000 0.282 362 I C 2.219 178.315 176.117 -0.036 0.000 1.207 362 I CA 0.700 62.000 61.300 -0.001 0.000 1.449 362 I CB 0.184 38.180 38.000 -0.007 0.000 1.121 362 I HN 0.165 nan 8.210 nan 0.000 0.442 363 E N -0.579 119.554 120.200 -0.110 0.000 2.562 363 E HA 0.019 4.368 4.350 -0.002 0.000 0.214 363 E C 1.149 177.560 176.600 -0.316 0.000 0.979 363 E CA 0.077 56.342 56.400 -0.225 0.000 1.002 363 E CB 0.578 30.079 29.700 -0.332 0.000 1.048 363 E HN 0.459 nan 8.360 nan 0.000 0.488 364 H N -0.887 118.195 119.070 0.021 0.000 2.573 364 H HA 0.186 4.740 4.556 -0.002 0.000 0.236 364 H C 1.776 177.121 175.328 0.030 0.000 0.907 364 H CA 0.222 56.283 56.048 0.021 0.000 1.058 364 H CB 0.633 30.401 29.762 0.011 0.000 1.417 364 H HN 0.105 nan 8.280 nan 0.000 0.425 365 L N 0.797 122.107 121.223 0.145 0.000 2.513 365 L HA 0.026 4.364 4.340 -0.002 0.000 0.222 365 L C 2.245 179.193 176.870 0.129 0.000 1.096 365 L CA 0.269 55.167 54.840 0.097 0.000 0.857 365 L CB 0.078 42.153 42.059 0.028 0.000 1.026 365 L HN 0.060 nan 8.230 nan 0.000 0.469 366 L N 1.647 122.940 121.223 0.117 0.000 2.007 366 L HA 0.020 4.359 4.340 -0.002 0.000 0.205 366 L C -0.564 176.386 176.870 0.133 0.000 1.073 366 L CA 1.895 56.823 54.840 0.147 0.000 0.744 366 L CB -1.490 40.623 42.059 0.089 0.000 0.898 366 L HN -0.010 nan 8.230 nan 0.000 0.435 367 P HA -0.196 nan 4.420 nan 0.000 0.217 367 P C 1.777 179.127 177.300 0.084 0.000 1.148 367 P CA 1.728 64.870 63.100 0.070 0.000 0.834 367 P CB -0.017 31.718 31.700 0.058 0.000 0.783 368 L N -2.980 118.313 121.223 0.117 0.000 2.056 368 L HA -0.030 4.308 4.340 -0.002 0.000 0.202 368 L C 2.278 179.251 176.870 0.172 0.000 1.086 368 L CA 0.772 55.687 54.840 0.125 0.000 0.758 368 L CB -1.183 40.952 42.059 0.126 0.000 0.912 368 L HN -0.142 nan 8.230 nan 0.000 0.446 369 F N 0.676 120.641 119.950 0.026 0.000 2.257 369 F HA -0.285 4.240 4.527 -0.003 0.000 0.302 369 F C 2.099 177.910 175.800 0.019 0.000 1.056 369 F CA 1.326 59.338 58.000 0.021 0.000 1.353 369 F CB -0.238 38.773 39.000 0.018 0.000 1.064 369 F HN -0.027 nan 8.300 nan 0.000 0.520 370 L N -0.701 120.544 121.223 0.037 0.000 2.034 370 L HA -0.019 4.319 4.340 -0.002 0.000 0.203 370 L C 2.574 179.412 176.870 -0.053 0.000 1.074 370 L CA 1.310 56.115 54.840 -0.059 0.000 0.748 370 L CB -0.895 41.168 42.059 0.007 0.000 0.905 370 L HN 0.071 nan 8.230 nan 0.000 0.439 371 A N -0.786 122.034 122.820 0.001 0.000 2.032 371 A HA -0.245 4.073 4.320 -0.002 0.000 0.221 371 A C 2.108 179.689 177.584 -0.006 0.000 1.165 371 A CA 1.561 53.600 52.037 0.004 0.000 0.645 371 A CB -0.410 18.605 19.000 0.026 0.000 0.807 371 A HN 0.606 nan 8.150 nan 0.000 0.453 372 Q N -1.378 118.417 119.800 -0.008 0.000 2.096 372 Q HA -0.041 4.298 4.340 -0.002 0.000 0.197 372 Q C 2.062 178.026 176.000 -0.060 0.000 0.964 372 Q CA 1.018 56.817 55.803 -0.008 0.000 0.838 372 Q CB -0.421 28.344 28.738 0.045 0.000 0.906 372 Q HN 0.585 nan 8.270 nan 0.000 0.444 373 L N 1.472 122.605 121.223 -0.150 0.000 2.187 373 L HA -0.135 4.203 4.340 -0.002 0.000 0.213 373 L C 0.803 177.618 176.870 -0.092 0.000 1.100 373 L CA 1.702 56.436 54.840 -0.177 0.000 0.765 373 L CB -0.086 41.791 42.059 -0.304 0.000 0.904 373 L HN -0.036 nan 8.230 nan 0.000 0.437 374 K N 0.345 120.706 120.400 -0.066 0.000 3.129 374 K HA 0.138 4.456 4.320 -0.002 0.000 0.241 374 K C -0.573 176.016 176.600 -0.018 0.000 1.239 374 K CA -0.140 56.126 56.287 -0.035 0.000 1.239 374 K CB -0.160 32.323 32.500 -0.028 0.000 1.347 374 K HN 0.204 nan 8.250 nan 0.000 0.435 375 D N 0.413 120.804 120.400 -0.015 0.000 2.248 375 D HA 0.080 4.718 4.640 -0.002 0.000 0.246 375 D C 0.813 177.114 176.300 0.003 0.000 1.027 375 D CA -0.437 53.561 54.000 -0.002 0.000 0.853 375 D CB 1.288 42.090 40.800 0.003 0.000 1.243 375 D HN 0.032 nan 8.370 nan 0.000 0.462 376 E N 1.441 121.645 120.200 0.006 0.000 2.019 376 E HA -0.226 4.123 4.350 -0.002 0.000 0.208 376 E C 0.560 177.167 176.600 0.011 0.000 1.030 376 E CA 0.918 57.323 56.400 0.009 0.000 0.856 376 E CB -0.286 29.419 29.700 0.009 0.000 0.781 376 E HN 0.471 nan 8.360 nan 0.000 0.471 377 C N 2.991 122.298 119.300 0.012 0.000 1.764 377 C HA -0.072 4.387 4.460 -0.002 0.000 0.445 377 C C -1.400 173.599 174.990 0.015 0.000 1.474 377 C CA -1.032 57.995 59.018 0.014 0.000 1.548 377 C CB -0.370 27.381 27.740 0.019 0.000 2.877 377 C HN 0.226 nan 8.230 nan 0.000 0.612 378 P HA -0.100 nan 4.420 nan 0.000 0.223 378 P C 1.239 178.551 177.300 0.020 0.000 1.144 378 P CA 1.248 64.358 63.100 0.017 0.000 0.783 378 P CB 0.058 31.765 31.700 0.012 0.000 0.771 379 E N -0.683 119.529 120.200 0.020 0.000 2.051 379 E HA -0.066 4.282 4.350 -0.002 0.000 0.189 379 E C 2.093 178.714 176.600 0.035 0.000 0.979 379 E CA 0.872 57.288 56.400 0.027 0.000 0.803 379 E CB -1.184 28.531 29.700 0.026 0.000 0.761 379 E HN 0.114 nan 8.360 nan 0.000 0.451 380 V N 2.645 122.580 119.914 0.034 0.000 2.214 380 V HA -0.305 3.814 4.120 -0.002 0.000 0.245 380 V C 2.609 178.721 176.094 0.030 0.000 1.047 380 V CA 2.639 64.961 62.300 0.038 0.000 0.998 380 V CB -0.781 31.061 31.823 0.031 0.000 0.633 380 V HN 0.315 nan 8.190 nan 0.000 0.446 381 R N 0.382 120.890 120.500 0.013 0.000 2.293 381 R HA -0.103 4.235 4.340 -0.002 0.000 0.219 381 R C 1.890 178.194 176.300 0.008 0.000 1.091 381 R CA 1.348 57.444 56.100 -0.006 0.000 1.004 381 R CB -0.557 29.733 30.300 -0.017 0.000 0.865 381 R HN 0.430 nan 8.270 nan 0.000 0.469 382 L N 0.972 122.210 121.223 0.025 0.000 2.240 382 L HA 0.035 4.373 4.340 -0.002 0.000 0.211 382 L C 1.820 178.704 176.870 0.023 0.000 1.106 382 L CA 1.428 56.291 54.840 0.038 0.000 0.793 382 L CB -0.522 41.566 42.059 0.048 0.000 0.927 382 L HN 0.316 nan 8.230 nan 0.000 0.446 383 N N -0.192 118.527 118.700 0.031 0.000 2.290 383 N HA -0.081 4.658 4.740 -0.002 0.000 0.179 383 N C 1.713 177.255 175.510 0.053 0.000 1.016 383 N CA 0.888 53.959 53.050 0.036 0.000 0.871 383 N CB 0.135 38.658 38.487 0.059 0.000 0.987 383 N HN 0.213 nan 8.380 nan 0.000 0.431 384 I N 1.567 122.175 120.570 0.063 0.000 2.657 384 I HA -0.193 3.976 4.170 -0.002 0.000 0.261 384 I C 1.499 177.662 176.117 0.077 0.000 1.212 384 I CA 0.793 62.153 61.300 0.100 0.000 1.453 384 I CB -0.647 37.324 38.000 -0.048 0.000 1.092 384 I HN 0.163 nan 8.210 nan 0.000 0.452 385 I N -0.419 120.161 120.570 0.017 0.000 3.645 385 I HA 0.018 4.186 4.170 -0.002 0.000 0.300 385 I C 2.307 178.386 176.117 -0.063 0.000 1.260 385 I CA 0.516 61.810 61.300 -0.011 0.000 1.365 385 I CB -0.893 37.097 38.000 -0.017 0.000 1.077 385 I HN 0.050 nan 8.210 nan 0.000 0.439 386 S N 1.656 117.311 115.700 -0.076 0.000 2.387 386 S HA -0.005 4.464 4.470 -0.002 0.000 0.226 386 S C 1.023 175.582 174.600 -0.069 0.000 1.026 386 S CA 0.828 58.945 58.200 -0.137 0.000 0.972 386 S CB -0.218 62.919 63.200 -0.104 0.000 0.814 386 S HN 0.453 nan 8.310 nan 0.000 0.477 387 N N 1.838 120.539 118.700 0.001 0.000 3.324 387 N HA 0.330 5.069 4.740 -0.002 0.000 0.302 387 N C 0.423 175.958 175.510 0.041 0.000 1.360 387 N CA -0.013 53.045 53.050 0.013 0.000 1.190 387 N CB 0.285 38.784 38.487 0.020 0.000 1.462 387 N HN 0.313 nan 8.380 nan 0.000 0.532 388 L N 0.123 121.359 121.223 0.021 0.000 1.960 388 L HA -0.080 4.258 4.340 -0.002 0.000 0.209 388 L C 1.509 178.386 176.870 0.011 0.000 1.090 388 L CA 0.967 55.830 54.840 0.038 0.000 0.759 388 L CB -0.303 41.763 42.059 0.011 0.000 0.892 388 L HN 0.148 nan 8.230 nan 0.000 0.436 389 D N -0.120 120.275 120.400 -0.008 0.000 2.254 389 D HA -0.281 4.358 4.640 -0.002 0.000 0.201 389 D C 2.163 178.446 176.300 -0.028 0.000 0.998 389 D CA 1.566 55.556 54.000 -0.017 0.000 0.885 389 D CB -0.822 39.965 40.800 -0.020 0.000 0.915 389 D HN 0.489 nan 8.370 nan 0.000 0.460 390 C N 0.594 119.874 119.300 -0.034 0.000 2.396 390 C HA -0.151 4.308 4.460 -0.002 0.000 0.277 390 C C 2.234 177.174 174.990 -0.083 0.000 1.231 390 C CA 1.065 60.049 59.018 -0.056 0.000 1.775 390 C CB -0.633 27.071 27.740 -0.060 0.000 2.036 390 C HN 0.228 nan 8.230 nan 0.000 0.484 391 V N 0.205 120.065 119.914 -0.089 0.000 3.382 391 V HA 0.169 4.287 4.120 -0.002 0.000 0.296 391 V C 1.571 177.632 176.094 -0.054 0.000 1.529 391 V CA 0.707 62.937 62.300 -0.116 0.000 1.048 391 V CB -0.303 31.363 31.823 -0.263 0.000 0.878 391 V HN 0.445 nan 8.190 nan 0.000 0.442 392 N N 1.547 120.235 118.700 -0.021 0.000 2.409 392 N HA -0.075 4.663 4.740 -0.002 0.000 0.179 392 N C 1.492 176.996 175.510 -0.010 0.000 1.032 392 N CA 0.932 53.982 53.050 -0.001 0.000 0.898 392 N CB 0.094 38.585 38.487 0.007 0.000 0.971 392 N HN 0.568 nan 8.380 nan 0.000 0.441 393 E N -0.791 119.397 120.200 -0.020 0.000 2.485 393 E HA 0.031 4.379 4.350 -0.002 0.000 0.194 393 E C 0.202 176.790 176.600 -0.021 0.000 1.098 393 E CA 0.159 56.547 56.400 -0.019 0.000 0.878 393 E CB 0.484 30.170 29.700 -0.023 0.000 0.939 393 E HN 0.167 nan 8.360 nan 0.000 0.503 394 V N 0.220 120.121 119.914 -0.022 0.000 3.432 394 V HA 0.192 4.310 4.120 -0.002 0.000 0.290 394 V C 0.125 176.211 176.094 -0.014 0.000 1.591 394 V CA -0.169 62.118 62.300 -0.022 0.000 1.069 394 V CB -0.079 31.724 31.823 -0.035 0.000 0.892 394 V HN 0.195 nan 8.190 nan 0.000 0.436 395 I N -2.959 117.608 120.570 -0.005 0.000 3.352 395 I HA 0.910 5.079 4.170 -0.002 0.000 0.316 395 I C 0.215 176.344 176.117 0.021 0.000 1.214 395 I CA -1.046 60.259 61.300 0.010 0.000 0.934 395 I CB 1.729 39.739 38.000 0.018 0.000 1.310 395 I HN -0.006 nan 8.210 nan 0.000 0.475 396 G N 1.356 110.175 108.800 0.031 0.000 2.358 396 G HA2 0.419 4.378 3.960 -0.002 0.000 0.273 396 G HA3 0.419 4.378 3.960 -0.002 0.000 0.273 396 G C 0.517 175.443 174.900 0.044 0.000 1.215 396 G CA -0.511 44.610 45.100 0.034 0.000 0.910 396 G HN 0.665 nan 8.290 nan 0.000 0.467 397 I N 1.798 122.389 120.570 0.035 0.000 2.454 397 I HA -0.194 3.974 4.170 -0.002 0.000 0.254 397 I C 2.845 178.984 176.117 0.037 0.000 1.156 397 I CA 1.199 62.517 61.300 0.030 0.000 1.433 397 I CB -0.117 37.890 38.000 0.012 0.000 1.082 397 I HN 0.698 nan 8.210 nan 0.000 0.432 398 R N 0.815 121.347 120.500 0.054 0.000 2.127 398 R HA -0.023 4.316 4.340 -0.002 0.000 0.217 398 R C 1.908 178.251 176.300 0.070 0.000 1.074 398 R CA 0.525 56.672 56.100 0.079 0.000 0.991 398 R CB -0.549 29.801 30.300 0.084 0.000 0.895 398 R HN 0.278 nan 8.270 nan 0.000 0.450 399 Q N 0.389 120.224 119.800 0.058 0.000 2.439 399 Q HA -0.056 4.283 4.340 -0.002 0.000 0.211 399 Q C 1.074 177.111 176.000 0.062 0.000 0.978 399 Q CA 0.904 56.740 55.803 0.056 0.000 0.897 399 Q CB 0.198 28.967 28.738 0.052 0.000 0.956 399 Q HN 0.332 nan 8.270 nan 0.000 0.483 400 L N -1.439 119.822 121.223 0.063 0.000 2.435 400 L HA 0.065 4.403 4.340 -0.002 0.000 0.195 400 L C 2.098 178.987 176.870 0.030 0.000 1.072 400 L CA 0.924 55.796 54.840 0.054 0.000 0.833 400 L CB -1.241 40.865 42.059 0.078 0.000 1.081 400 L HN -0.080 nan 8.230 nan 0.000 0.485 401 S N -0.448 115.273 115.700 0.034 0.000 2.520 401 S HA -0.225 4.243 4.470 -0.002 0.000 0.249 401 S C 1.481 176.158 174.600 0.129 0.000 0.983 401 S CA 1.260 59.485 58.200 0.041 0.000 0.958 401 S CB -0.189 63.031 63.200 0.032 0.000 0.750 401 S HN 0.508 nan 8.310 nan 0.000 0.527 402 Q N -0.567 119.290 119.800 0.095 0.000 2.220 402 Q HA 0.293 4.631 4.340 -0.002 0.000 0.205 402 Q C 1.391 177.417 176.000 0.044 0.000 0.865 402 Q CA 0.055 55.909 55.803 0.085 0.000 0.960 402 Q CB 0.476 29.255 28.738 0.069 0.000 1.097 402 Q HN 0.440 nan 8.270 nan 0.000 0.493 403 S N -0.013 115.701 115.700 0.023 0.000 2.589 403 S HA 0.140 4.609 4.470 -0.002 0.000 0.235 403 S C 0.810 175.394 174.600 -0.027 0.000 1.051 403 S CA -0.371 57.821 58.200 -0.013 0.000 0.978 403 S CB 0.447 63.621 63.200 -0.044 0.000 0.929 403 S HN 0.442 nan 8.310 nan 0.000 0.523 404 L N 0.279 121.494 121.223 -0.013 0.000 3.062 404 L HA 0.515 4.854 4.340 -0.002 0.000 0.255 404 L C 0.644 177.528 176.870 0.023 0.000 1.274 404 L CA -0.375 54.456 54.840 -0.015 0.000 1.047 404 L CB -0.187 41.850 42.059 -0.037 0.000 1.402 404 L HN 0.014 nan 8.230 nan 0.000 0.550 405 L N 0.311 121.561 121.223 0.044 0.000 1.961 405 L HA 0.027 4.365 4.340 -0.002 0.000 0.210 405 L C 0.017 176.910 176.870 0.038 0.000 1.072 405 L CA 2.009 56.889 54.840 0.066 0.000 0.749 405 L CB -2.449 39.643 42.059 0.056 0.000 0.889 405 L HN 0.293 nan 8.230 nan 0.000 0.432 406 P HA -0.073 nan 4.420 nan 0.000 0.214 406 P C 1.661 178.974 177.300 0.022 0.000 1.162 406 P CA 1.645 64.755 63.100 0.016 0.000 0.874 406 P CB -0.136 31.570 31.700 0.010 0.000 0.784 407 A N 0.147 122.975 122.820 0.014 0.000 1.906 407 A HA -0.294 4.025 4.320 -0.002 0.000 0.222 407 A C 2.256 179.864 177.584 0.040 0.000 1.282 407 A CA 2.560 54.606 52.037 0.016 0.000 0.675 407 A CB -1.909 17.086 19.000 -0.008 0.000 0.838 407 A HN 0.139 nan 8.150 nan 0.000 0.469 408 I N -0.849 119.747 120.570 0.044 0.000 2.179 408 I HA -0.218 3.950 4.170 -0.002 0.000 0.242 408 I C 2.395 178.563 176.117 0.085 0.000 1.088 408 I CA 1.459 62.802 61.300 0.073 0.000 1.357 408 I CB -0.570 37.465 38.000 0.058 0.000 1.051 408 I HN 0.220 nan 8.210 nan 0.000 0.409 409 V N 0.826 120.767 119.914 0.045 0.000 2.261 409 V HA -0.259 3.860 4.120 -0.002 0.000 0.246 409 V C 2.377 178.508 176.094 0.062 0.000 1.047 409 V CA 1.836 64.151 62.300 0.025 0.000 1.015 409 V CB -0.768 31.049 31.823 -0.010 0.000 0.642 409 V HN 0.409 nan 8.190 nan 0.000 0.446 410 E N 0.294 120.527 120.200 0.054 0.000 2.068 410 E HA -0.280 4.068 4.350 -0.002 0.000 0.207 410 E C 2.180 178.835 176.600 0.093 0.000 1.032 410 E CA 1.968 58.405 56.400 0.061 0.000 0.839 410 E CB -0.382 29.344 29.700 0.044 0.000 0.758 410 E HN 0.523 nan 8.360 nan 0.000 0.457 411 L N 0.313 121.597 121.223 0.102 0.000 2.083 411 L HA -0.156 4.183 4.340 -0.002 0.000 0.209 411 L C 2.542 179.531 176.870 0.199 0.000 1.083 411 L CA 0.869 55.780 54.840 0.119 0.000 0.752 411 L CB -0.569 41.556 42.059 0.111 0.000 0.899 411 L HN 0.126 nan 8.230 nan 0.000 0.433 412 A N 0.663 123.655 122.820 0.287 0.000 2.178 412 A HA -0.142 4.176 4.320 -0.002 0.000 0.218 412 A C 1.071 178.954 177.584 0.498 0.000 1.157 412 A CA 1.307 53.691 52.037 0.579 0.000 0.689 412 A CB -0.459 18.751 19.000 0.350 0.000 0.787 412 A HN 0.676 nan 8.150 nan 0.000 0.465 413 E N -0.246 120.111 120.200 0.261 0.000 3.832 413 E HA 0.237 4.585 4.350 -0.002 0.000 0.250 413 E C -1.474 175.212 176.600 0.143 0.000 1.215 413 E CA -0.686 55.839 56.400 0.207 0.000 1.179 413 E CB 0.117 29.895 29.700 0.129 0.000 1.270 413 E HN 0.164 nan 8.360 nan 0.000 0.405 414 D N 0.910 121.392 120.400 0.138 0.000 2.175 414 D HA 0.322 4.960 4.640 -0.002 0.000 0.248 414 D C 1.103 177.467 176.300 0.107 0.000 1.047 414 D CA -0.087 53.970 54.000 0.094 0.000 0.883 414 D CB 1.956 42.794 40.800 0.063 0.000 1.180 414 D HN 0.231 nan 8.370 nan 0.000 0.438 415 A N 4.398 127.272 122.820 0.091 0.000 1.917 415 A HA -0.200 4.119 4.320 -0.002 0.000 0.219 415 A C 1.016 178.679 177.584 0.132 0.000 1.182 415 A CA 1.319 53.416 52.037 0.101 0.000 0.633 415 A CB -0.362 18.682 19.000 0.073 0.000 0.819 415 A HN 0.600 nan 8.150 nan 0.000 0.448 416 K N 1.610 122.069 120.400 0.099 0.000 2.228 416 K HA 0.042 4.361 4.320 -0.002 0.000 0.284 416 K C 0.996 177.631 176.600 0.058 0.000 1.088 416 K CA -0.112 56.231 56.287 0.093 0.000 0.941 416 K CB 0.193 32.697 32.500 0.008 0.000 1.158 416 K HN 0.714 nan 8.250 nan 0.000 0.438 417 W N 4.232 125.542 121.300 0.018 0.000 2.292 417 W HA -0.336 4.323 4.660 -0.003 0.000 0.304 417 W C 0.663 177.164 176.519 -0.030 0.000 1.228 417 W CA 0.998 58.345 57.345 0.003 0.000 1.241 417 W CB -0.610 28.857 29.460 0.012 0.000 1.142 417 W HN 0.442 nan 8.180 nan 0.000 0.520 418 R N 1.212 120.980 120.500 -1.220 0.000 2.094 418 R HA -0.151 4.188 4.340 -0.002 0.000 0.239 418 R C 2.447 178.446 176.300 -0.503 0.000 1.137 418 R CA 2.037 57.452 56.100 -1.141 0.000 0.943 418 R CB -1.473 28.273 30.300 -0.922 0.000 0.850 418 R HN 0.288 nan 8.270 nan 0.000 0.433 419 V N 1.721 121.452 119.914 -0.305 0.000 2.278 419 V HA -0.309 3.810 4.120 -0.002 0.000 0.251 419 V C 2.604 178.618 176.094 -0.133 0.000 1.062 419 V CA 1.995 64.202 62.300 -0.155 0.000 1.038 419 V CB -0.525 31.258 31.823 -0.067 0.000 0.646 419 V HN 0.354 nan 8.190 nan 0.000 0.447 420 R N -0.569 119.862 120.500 -0.114 0.000 2.080 420 R HA -0.178 4.161 4.340 -0.002 0.000 0.236 420 R C 2.287 178.398 176.300 -0.314 0.000 1.137 420 R CA 1.740 57.764 56.100 -0.127 0.000 0.943 420 R CB -0.831 29.446 30.300 -0.039 0.000 0.846 420 R HN 0.399 nan 8.270 nan 0.000 0.431 421 L N 1.276 122.319 121.223 -0.300 0.000 2.079 421 L HA -0.150 4.188 4.340 -0.002 0.000 0.210 421 L C 2.253 178.915 176.870 -0.347 0.000 1.081 421 L CA 1.841 56.485 54.840 -0.327 0.000 0.752 421 L CB -0.844 41.058 42.059 -0.262 0.000 0.896 421 L HN 0.171 nan 8.230 nan 0.000 0.433 422 A N -0.188 122.455 122.820 -0.294 0.000 1.859 422 A HA -0.248 4.071 4.320 -0.002 0.000 0.217 422 A C 2.272 179.657 177.584 -0.332 0.000 1.198 422 A CA 2.197 54.077 52.037 -0.261 0.000 0.629 422 A CB -0.935 17.995 19.000 -0.116 0.000 0.830 422 A HN 0.418 nan 8.150 nan 0.000 0.446 423 I N 0.167 120.634 120.570 -0.172 0.000 2.226 423 I HA -0.210 3.958 4.170 -0.002 0.000 0.245 423 I C 2.414 178.430 176.117 -0.168 0.000 1.100 423 I CA 1.337 62.608 61.300 -0.048 0.000 1.374 423 I CB -0.878 37.178 38.000 0.094 0.000 1.057 423 I HN 0.352 nan 8.210 nan 0.000 0.413 424 I N 0.628 120.958 120.570 -0.401 0.000 2.315 424 I HA -0.307 3.862 4.170 -0.002 0.000 0.251 424 I C 2.283 178.245 176.117 -0.258 0.000 1.125 424 I CA 1.149 62.188 61.300 -0.434 0.000 1.392 424 I CB -0.369 37.227 38.000 -0.674 0.000 1.065 424 I HN 0.271 nan 8.210 nan 0.000 0.424 425 E N 0.375 120.315 120.200 -0.434 0.000 2.153 425 E HA -0.209 4.140 4.350 -0.002 0.000 0.194 425 E C 1.606 178.004 176.600 -0.337 0.000 0.988 425 E CA 1.501 57.611 56.400 -0.484 0.000 0.811 425 E CB -0.280 28.925 29.700 -0.825 0.000 0.746 425 E HN 0.607 nan 8.360 nan 0.000 0.466 426 Y N -0.733 119.584 120.300 0.029 0.000 2.457 426 Y HA 0.188 4.737 4.550 -0.002 0.000 0.263 426 Y C 1.949 177.913 175.900 0.106 0.000 1.164 426 Y CA -0.258 57.877 58.100 0.057 0.000 1.274 426 Y CB -0.328 38.157 38.460 0.043 0.000 1.097 426 Y HN -0.040 nan 8.280 nan 0.000 0.523 427 M N 2.157 121.899 119.600 0.235 0.000 2.117 427 M HA -0.034 4.444 4.480 -0.002 0.000 0.262 427 M C -0.871 175.622 176.300 0.321 0.000 1.065 427 M CA 1.714 57.196 55.300 0.304 0.000 1.114 427 M CB -1.185 31.644 32.600 0.382 0.000 1.361 427 M HN -0.101 nan 8.290 nan 0.000 0.408 428 P HA -0.125 nan 4.420 nan 0.000 0.228 428 P C 1.217 178.605 177.300 0.146 0.000 1.151 428 P CA 1.362 64.593 63.100 0.218 0.000 0.770 428 P CB -0.087 31.709 31.700 0.160 0.000 0.786 429 L N -1.663 119.654 121.223 0.156 0.000 2.388 429 L HA 0.139 4.478 4.340 -0.002 0.000 0.209 429 L C 2.618 179.541 176.870 0.088 0.000 1.061 429 L CA 0.247 55.145 54.840 0.097 0.000 0.834 429 L CB -0.551 41.572 42.059 0.106 0.000 1.029 429 L HN -0.161 nan 8.230 nan 0.000 0.473 430 L N -0.048 121.258 121.223 0.139 0.000 2.376 430 L HA -0.097 4.242 4.340 -0.002 0.000 0.219 430 L C 2.652 179.604 176.870 0.136 0.000 1.133 430 L CA 0.671 55.575 54.840 0.107 0.000 0.816 430 L CB -0.320 41.813 42.059 0.123 0.000 0.933 430 L HN 0.248 nan 8.230 nan 0.000 0.449 431 A N 0.165 123.132 122.820 0.245 0.000 1.825 431 A HA -0.106 4.213 4.320 -0.002 0.000 0.214 431 A C 2.345 180.043 177.584 0.189 0.000 1.206 431 A CA 1.517 53.808 52.037 0.423 0.000 0.609 431 A CB -1.387 17.999 19.000 0.643 0.000 0.851 431 A HN 0.386 nan 8.150 nan 0.000 0.445 432 G N -0.862 107.873 108.800 -0.109 0.000 2.462 432 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.220 432 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.220 432 G C 1.342 176.183 174.900 -0.099 0.000 1.121 432 G CA 0.954 45.890 45.100 -0.274 0.000 0.758 432 G HN 0.673 nan 8.290 nan 0.000 0.559 433 Q N -0.666 119.111 119.800 -0.038 0.000 2.329 433 Q HA 0.382 4.720 4.340 -0.002 0.000 0.208 433 Q C 0.382 176.352 176.000 -0.049 0.000 0.934 433 Q CA 0.067 55.849 55.803 -0.035 0.000 0.951 433 Q CB 0.187 28.910 28.738 -0.026 0.000 1.017 433 Q HN 0.413 nan 8.270 nan 0.000 0.490 434 L N -0.606 120.605 121.223 -0.019 0.000 3.293 434 L HA 0.279 4.618 4.340 -0.002 0.000 0.345 434 L C 0.363 177.291 176.870 0.097 0.000 1.311 434 L CA -0.568 54.226 54.840 -0.077 0.000 0.846 434 L CB 0.735 42.618 42.059 -0.292 0.000 1.293 434 L HN 0.241 nan 8.230 nan 0.000 0.601 435 G N 0.272 109.148 108.800 0.126 0.000 2.907 435 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.242 435 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.242 435 G C 0.433 175.493 174.900 0.266 0.000 1.448 435 G CA 0.090 45.294 45.100 0.174 0.000 0.911 435 G HN 0.028 nan 8.290 nan 0.000 0.553 436 V N 0.446 120.410 119.914 0.084 0.000 2.949 436 V HA 0.071 4.190 4.120 -0.002 0.000 0.245 436 V C 2.649 178.581 176.094 -0.270 0.000 1.086 436 V CA 2.157 64.180 62.300 -0.463 0.000 1.097 436 V CB -0.043 31.317 31.823 -0.771 0.000 0.762 436 V HN 0.948 nan 8.190 nan 0.000 0.470 437 E N -0.039 120.141 120.200 -0.033 0.000 2.047 437 E HA -0.267 4.081 4.350 -0.002 0.000 0.191 437 E C 2.161 178.847 176.600 0.143 0.000 0.987 437 E CA 1.745 58.175 56.400 0.049 0.000 0.799 437 E CB -1.056 28.668 29.700 0.040 0.000 0.752 437 E HN 0.487 nan 8.360 nan 0.000 0.449 438 F N 1.250 121.230 119.950 0.049 0.000 2.120 438 F HA -0.159 4.366 4.527 -0.002 0.000 0.300 438 F C 2.244 178.101 175.800 0.095 0.000 1.095 438 F CA 1.447 59.486 58.000 0.064 0.000 1.249 438 F CB -0.690 38.353 39.000 0.072 0.000 0.995 438 F HN 0.067 nan 8.300 nan 0.000 0.480 439 F N 1.208 121.319 119.950 0.268 0.000 2.069 439 F HA -0.232 4.293 4.527 -0.003 0.000 0.298 439 F C 2.417 178.306 175.800 0.149 0.000 1.113 439 F CA 2.271 60.370 58.000 0.165 0.000 1.214 439 F CB -0.863 38.111 39.000 -0.042 0.000 0.978 439 F HN -0.057 nan 8.300 nan 0.000 0.474 440 D N 0.079 120.784 120.400 0.509 0.000 2.087 440 D HA -0.231 4.407 4.640 -0.002 0.000 0.192 440 D C 1.772 178.164 176.300 0.154 0.000 0.993 440 D CA 1.564 55.797 54.000 0.388 0.000 0.828 440 D CB -0.672 40.337 40.800 0.347 0.000 0.968 440 D HN 0.443 nan 8.370 nan 0.000 0.448 441 E N 0.358 120.607 120.200 0.083 0.000 2.461 441 E HA -0.100 4.249 4.350 -0.002 0.000 0.196 441 E C 0.586 177.147 176.600 -0.065 0.000 1.129 441 E CA 0.472 56.862 56.400 -0.016 0.000 0.902 441 E CB 0.173 29.833 29.700 -0.067 0.000 0.963 441 E HN 0.116 nan 8.360 nan 0.000 0.503 442 K N -1.282 119.102 120.400 -0.026 0.000 2.889 442 K HA 0.045 4.363 4.320 -0.002 0.000 0.271 442 K C 1.303 177.839 176.600 -0.106 0.000 2.413 442 K CA -0.193 56.066 56.287 -0.046 0.000 1.326 442 K CB -0.635 31.883 32.500 0.029 0.000 2.681 442 K HN -0.052 nan 8.250 nan 0.000 0.360 443 L N 3.060 124.189 121.223 -0.157 0.000 2.651 443 L HA 0.011 4.350 4.340 -0.002 0.000 0.236 443 L C 1.743 178.221 176.870 -0.654 0.000 1.173 443 L CA 1.235 55.825 54.840 -0.416 0.000 0.843 443 L CB -1.109 40.633 42.059 -0.530 0.000 0.964 443 L HN 0.432 nan 8.230 nan 0.000 0.454 444 N N -0.531 117.918 118.700 -0.419 0.000 2.250 444 N HA -0.164 4.575 4.740 -0.002 0.000 0.181 444 N C 2.082 177.490 175.510 -0.169 0.000 1.017 444 N CA 0.847 53.780 53.050 -0.195 0.000 0.866 444 N CB 0.216 38.768 38.487 0.108 0.000 0.985 444 N HN 0.453 nan 8.380 nan 0.000 0.429 445 S N 0.849 116.440 115.700 -0.181 0.000 2.359 445 S HA -0.145 4.324 4.470 -0.002 0.000 0.224 445 S C 1.945 176.373 174.600 -0.287 0.000 1.035 445 S CA 0.815 58.905 58.200 -0.183 0.000 1.018 445 S CB -0.651 62.458 63.200 -0.153 0.000 0.876 445 S HN 0.128 nan 8.310 nan 0.000 0.448 446 L N 1.705 122.688 121.223 -0.400 0.000 1.970 446 L HA -0.068 4.270 4.340 -0.002 0.000 0.212 446 L C 2.976 179.291 176.870 -0.926 0.000 1.071 446 L CA 1.458 55.882 54.840 -0.694 0.000 0.751 446 L CB -1.391 40.233 42.059 -0.725 0.000 0.889 446 L HN 0.427 nan 8.230 nan 0.000 0.432 447 C N -0.782 118.143 119.300 -0.625 0.000 2.409 447 C HA -0.137 4.321 4.460 -0.002 0.000 0.288 447 C C 2.730 177.691 174.990 -0.049 0.000 1.395 447 C CA 0.516 59.406 59.018 -0.213 0.000 1.792 447 C CB -0.897 26.897 27.740 0.091 0.000 1.847 447 C HN 0.495 nan 8.230 nan 0.000 0.534 448 M N 0.175 119.687 119.600 -0.146 0.000 2.486 448 M HA 0.084 4.562 4.480 -0.002 0.000 0.264 448 M C 2.444 178.677 176.300 -0.112 0.000 1.125 448 M CA 1.145 56.395 55.300 -0.083 0.000 1.144 448 M CB -1.233 31.314 32.600 -0.087 0.000 1.353 448 M HN 0.373 nan 8.290 nan 0.000 0.466 449 A N -0.173 122.519 122.820 -0.212 0.000 1.872 449 A HA -0.145 4.174 4.320 -0.002 0.000 0.214 449 A C 1.746 179.295 177.584 -0.058 0.000 1.187 449 A CA 0.911 52.833 52.037 -0.191 0.000 0.614 449 A CB -0.955 17.877 19.000 -0.280 0.000 0.826 449 A HN 0.567 nan 8.150 nan 0.000 0.442 450 W N 0.229 121.502 121.300 -0.045 0.000 2.359 450 W HA -0.111 4.547 4.660 -0.002 0.000 0.275 450 W C 1.542 178.023 176.519 -0.063 0.000 1.217 450 W CA 0.807 58.132 57.345 -0.034 0.000 1.196 450 W CB -1.034 28.422 29.460 -0.006 0.000 1.129 450 W HN 0.299 nan 8.180 nan 0.000 0.566 451 L N -0.665 120.631 121.223 0.122 0.000 2.552 451 L HA -0.041 4.297 4.340 -0.002 0.000 0.227 451 L C 1.661 178.480 176.870 -0.085 0.000 1.146 451 L CA 0.427 55.280 54.840 0.021 0.000 0.858 451 L CB -0.480 41.582 42.059 0.005 0.000 0.969 451 L HN -0.279 nan 8.230 nan 0.000 0.451 452 V N -1.310 118.499 119.914 -0.176 0.000 3.159 452 V HA 0.154 4.273 4.120 -0.002 0.000 0.333 452 V C 0.267 176.204 176.094 -0.262 0.000 1.424 452 V CA -0.221 61.748 62.300 -0.552 0.000 1.125 452 V CB 0.158 31.562 31.823 -0.699 0.000 1.075 452 V HN 0.201 nan 8.190 nan 0.000 0.482 453 D N -0.292 120.090 120.400 -0.029 0.000 2.372 453 D HA 0.029 4.668 4.640 -0.002 0.000 0.243 453 D C 0.971 177.304 176.300 0.055 0.000 1.121 453 D CA 0.201 54.228 54.000 0.045 0.000 0.898 453 D CB 1.281 42.178 40.800 0.161 0.000 1.202 453 D HN 0.487 nan 8.370 nan 0.000 0.428 454 H N 0.806 119.970 119.070 0.157 0.000 2.353 454 H HA -0.039 4.515 4.556 -0.002 0.000 0.300 454 H C 0.461 175.818 175.328 0.047 0.000 1.090 454 H CA 0.667 56.777 56.048 0.104 0.000 1.327 454 H CB 0.114 29.919 29.762 0.071 0.000 1.383 454 H HN 0.066 nan 8.280 nan 0.000 0.508 455 V N 2.342 122.344 119.914 0.146 0.000 2.439 455 V HA -0.126 3.992 4.120 -0.002 0.000 0.271 455 V C 0.949 177.067 176.094 0.039 0.000 1.040 455 V CA 0.027 62.332 62.300 0.008 0.000 1.002 455 V CB -0.023 31.752 31.823 -0.080 0.000 1.000 455 V HN 0.358 nan 8.190 nan 0.000 0.477 456 Y N 5.827 126.070 120.300 -0.095 0.000 2.193 456 Y HA -0.318 4.231 4.550 -0.002 0.000 0.285 456 Y C 2.185 178.032 175.900 -0.088 0.000 1.166 456 Y CA 2.103 60.150 58.100 -0.089 0.000 1.181 456 Y CB -0.207 38.184 38.460 -0.116 0.000 0.976 456 Y HN 0.641 nan 8.280 nan 0.000 0.520 457 A N 0.677 123.608 122.820 0.184 0.000 1.873 457 A HA -0.217 4.102 4.320 -0.002 0.000 0.218 457 A C 2.218 179.848 177.584 0.077 0.000 1.193 457 A CA 2.147 54.284 52.037 0.166 0.000 0.629 457 A CB -1.036 18.061 19.000 0.161 0.000 0.826 457 A HN 0.493 nan 8.150 nan 0.000 0.447 458 I N -0.429 120.188 120.570 0.078 0.000 2.361 458 I HA -0.194 3.975 4.170 -0.002 0.000 0.251 458 I C 2.602 178.678 176.117 -0.067 0.000 1.133 458 I CA 1.301 62.597 61.300 -0.008 0.000 1.413 458 I CB -1.212 36.806 38.000 0.029 0.000 1.073 458 I HN 0.384 nan 8.210 nan 0.000 0.424 459 R N 0.606 121.052 120.500 -0.091 0.000 2.075 459 R HA -0.201 4.138 4.340 -0.002 0.000 0.230 459 R C 2.168 178.343 176.300 -0.208 0.000 1.140 459 R CA 1.603 57.619 56.100 -0.139 0.000 0.928 459 R CB -0.591 29.567 30.300 -0.236 0.000 0.834 459 R HN 0.407 nan 8.270 nan 0.000 0.429 460 E N 0.831 120.796 120.200 -0.391 0.000 2.171 460 E HA -0.209 4.140 4.350 -0.002 0.000 0.197 460 E C 1.659 178.178 176.600 -0.135 0.000 0.997 460 E CA 1.428 57.629 56.400 -0.331 0.000 0.810 460 E CB -0.022 29.481 29.700 -0.329 0.000 0.738 460 E HN 0.386 nan 8.360 nan 0.000 0.467 461 A N 0.314 123.075 122.820 -0.098 0.000 2.119 461 A HA 0.218 4.536 4.320 -0.002 0.000 0.216 461 A C 2.135 179.668 177.584 -0.085 0.000 1.152 461 A CA 1.060 53.047 52.037 -0.082 0.000 0.708 461 A CB -0.153 18.790 19.000 -0.095 0.000 0.805 461 A HN 0.395 nan 8.150 nan 0.000 0.460 462 A N -1.329 121.457 122.820 -0.058 0.000 1.997 462 A HA 0.122 4.441 4.320 -0.002 0.000 0.212 462 A C 2.182 179.815 177.584 0.081 0.000 1.178 462 A CA 1.693 53.761 52.037 0.051 0.000 0.698 462 A CB -0.688 18.415 19.000 0.171 0.000 0.842 462 A HN 0.334 nan 8.150 nan 0.000 0.458 463 T N 0.990 115.557 114.554 0.023 0.000 2.668 463 T HA -0.133 4.216 4.350 -0.002 0.000 0.262 463 T C 2.276 177.000 174.700 0.040 0.000 1.045 463 T CA 2.064 64.183 62.100 0.032 0.000 1.152 463 T CB -0.479 68.389 68.868 -0.000 0.000 0.864 463 T HN 0.723 nan 8.240 nan 0.000 0.419 464 S N 2.233 117.942 115.700 0.015 0.000 2.493 464 S HA -0.136 4.333 4.470 -0.002 0.000 0.243 464 S C 1.829 176.458 174.600 0.048 0.000 0.991 464 S CA 0.999 59.215 58.200 0.026 0.000 0.957 464 S CB -0.587 62.616 63.200 0.006 0.000 0.756 464 S HN 0.485 nan 8.310 nan 0.000 0.521 465 N N 1.489 120.227 118.700 0.063 0.000 2.376 465 N HA 0.070 4.808 4.740 -0.002 0.000 0.177 465 N C 1.570 177.170 175.510 0.150 0.000 1.024 465 N CA 0.527 53.640 53.050 0.105 0.000 0.893 465 N CB -0.299 38.261 38.487 0.122 0.000 0.980 465 N HN 0.464 nan 8.380 nan 0.000 0.439 466 L N 1.325 122.627 121.223 0.132 0.000 1.961 466 L HA -0.170 4.169 4.340 -0.002 0.000 0.210 466 L C 2.723 179.663 176.870 0.115 0.000 1.072 466 L CA 1.405 56.323 54.840 0.130 0.000 0.749 466 L CB -0.664 41.446 42.059 0.085 0.000 0.889 466 L HN 0.178 nan 8.230 nan 0.000 0.432 467 K N 0.979 121.431 120.400 0.087 0.000 2.032 467 K HA -0.253 4.065 4.320 -0.002 0.000 0.218 467 K C 1.644 178.301 176.600 0.096 0.000 1.054 467 K CA 1.948 58.282 56.287 0.078 0.000 0.941 467 K CB -0.100 32.436 32.500 0.061 0.000 0.720 467 K HN 0.224 nan 8.250 nan 0.000 0.449 468 K N 0.568 121.026 120.400 0.097 0.000 2.591 468 K HA 0.020 4.338 4.320 -0.002 0.000 0.197 468 K C 0.936 177.618 176.600 0.137 0.000 1.026 468 K CA 0.116 56.462 56.287 0.098 0.000 1.127 468 K CB 0.149 32.696 32.500 0.079 0.000 0.871 468 K HN 0.275 nan 8.250 nan 0.000 0.507 469 L N 0.253 121.589 121.223 0.189 0.000 3.069 469 L HA 0.096 4.435 4.340 -0.002 0.000 0.271 469 L C 0.756 177.860 176.870 0.390 0.000 1.201 469 L CA -0.003 55.013 54.840 0.295 0.000 1.015 469 L CB 0.949 43.209 42.059 0.335 0.000 1.371 469 L HN -0.062 nan 8.230 nan 0.000 0.574 470 V N -1.591 118.483 119.914 0.268 0.000 3.251 470 V HA 0.026 4.145 4.120 -0.002 0.000 0.239 470 V C 1.688 177.895 176.094 0.188 0.000 1.332 470 V CA 0.254 62.726 62.300 0.287 0.000 1.224 470 V CB 0.755 32.684 31.823 0.176 0.000 1.004 470 V HN 0.287 nan 8.190 nan 0.000 0.464 471 E N 0.746 121.017 120.200 0.118 0.000 2.478 471 E HA -0.143 4.206 4.350 -0.002 0.000 0.198 471 E C 1.174 177.784 176.600 0.017 0.000 1.046 471 E CA 0.564 57.002 56.400 0.063 0.000 0.870 471 E CB 0.140 29.869 29.700 0.049 0.000 0.818 471 E HN 0.189 nan 8.360 nan 0.000 0.527 472 K N -0.623 119.781 120.400 0.006 0.000 2.676 472 K HA 0.187 4.506 4.320 -0.002 0.000 0.205 472 K C -0.799 175.542 176.600 -0.432 0.000 1.084 472 K CA -0.146 56.031 56.287 -0.184 0.000 1.057 472 K CB 0.354 32.745 32.500 -0.182 0.000 0.791 472 K HN -0.056 nan 8.250 nan 0.000 0.484 473 F N -1.008 118.944 119.950 0.003 0.000 3.227 473 F HA 0.277 4.802 4.527 -0.002 0.000 0.341 473 F C 0.159 176.016 175.800 0.096 0.000 1.276 473 F CA -0.011 57.967 58.000 -0.036 0.000 0.892 473 F CB 0.898 39.848 39.000 -0.083 0.000 1.644 473 F HN 0.112 nan 8.300 nan 0.000 0.488 474 G N 1.880 110.819 108.800 0.231 0.000 2.854 474 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.686 474 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.686 474 G C 0.747 175.779 174.900 0.220 0.000 1.202 474 G CA -0.092 45.125 45.100 0.194 0.000 0.878 474 G HN 0.573 nan 8.290 nan 0.000 0.583 475 K N 0.498 120.984 120.400 0.144 0.000 2.519 475 K HA -0.031 4.287 4.320 -0.002 0.000 0.196 475 K C 1.481 178.155 176.600 0.124 0.000 1.041 475 K CA 1.667 58.023 56.287 0.115 0.000 0.954 475 K CB 0.212 32.757 32.500 0.074 0.000 0.774 475 K HN 0.377 nan 8.250 nan 0.000 0.480 476 E N 0.572 120.867 120.200 0.159 0.000 2.140 476 E HA -0.090 4.259 4.350 -0.002 0.000 0.191 476 E C 1.196 177.915 176.600 0.198 0.000 0.973 476 E CA 0.505 57.002 56.400 0.162 0.000 0.829 476 E CB -0.212 29.575 29.700 0.145 0.000 0.781 476 E HN 0.565 nan 8.360 nan 0.000 0.466 477 W N 1.668 122.994 121.300 0.043 0.000 2.611 477 W HA -0.001 4.658 4.660 -0.003 0.000 0.251 477 W C 1.715 178.234 176.519 -0.000 0.000 1.265 477 W CA 1.338 58.682 57.345 -0.001 0.000 1.295 477 W CB -0.164 29.272 29.460 -0.040 0.000 1.129 477 W HN 0.052 nan 8.180 nan 0.000 0.630 478 A N -1.602 121.184 122.820 -0.057 0.000 2.067 478 A HA -0.173 4.145 4.320 -0.002 0.000 0.217 478 A C 1.810 179.331 177.584 -0.104 0.000 1.156 478 A CA 1.649 53.585 52.037 -0.169 0.000 0.683 478 A CB -0.969 18.015 19.000 -0.027 0.000 0.808 478 A HN 0.655 nan 8.150 nan 0.000 0.455 479 H N -1.505 117.487 119.070 -0.131 0.000 2.595 479 H HA 0.358 4.913 4.556 -0.002 0.000 0.265 479 H C 2.051 177.312 175.328 -0.112 0.000 0.953 479 H CA 0.485 56.486 56.048 -0.079 0.000 1.197 479 H CB 0.200 29.959 29.762 -0.004 0.000 1.438 479 H HN 0.488 nan 8.280 nan 0.000 0.531 480 A N 0.337 123.077 122.820 -0.133 0.000 1.839 480 A HA -0.069 4.249 4.320 -0.002 0.000 0.213 480 A C 1.412 178.857 177.584 -0.231 0.000 1.274 480 A CA 1.613 53.542 52.037 -0.181 0.000 0.608 480 A CB -0.764 18.194 19.000 -0.070 0.000 0.920 480 A HN 0.378 nan 8.150 nan 0.000 0.465 481 T N -0.374 113.931 114.554 -0.416 0.000 3.255 481 T HA 0.639 4.988 4.350 -0.002 0.000 0.243 481 T C 0.315 174.771 174.700 -0.407 0.000 1.057 481 T CA 0.026 61.942 62.100 -0.308 0.000 1.121 481 T CB -0.150 68.643 68.868 -0.125 0.000 1.104 481 T HN 0.375 nan 8.240 nan 0.000 0.571 482 I N -0.800 119.566 120.570 -0.341 0.000 3.231 482 I HA 0.233 4.401 4.170 -0.002 0.000 0.271 482 I C 1.660 177.695 176.117 -0.136 0.000 1.035 482 I CA -0.372 60.763 61.300 -0.276 0.000 1.757 482 I CB 0.116 37.883 38.000 -0.389 0.000 1.803 482 I HN 0.131 nan 8.210 nan 0.000 0.392 483 I N 2.344 122.859 120.570 -0.093 0.000 2.335 483 I HA -0.176 3.992 4.170 -0.002 0.000 0.251 483 I C -0.776 175.329 176.117 -0.020 0.000 1.129 483 I CA 1.648 62.928 61.300 -0.033 0.000 1.402 483 I CB -1.390 36.613 38.000 0.005 0.000 1.069 483 I HN 0.202 nan 8.210 nan 0.000 0.424 484 P HA -0.187 nan 4.420 nan 0.000 0.216 484 P C 1.305 178.575 177.300 -0.049 0.000 1.153 484 P CA 1.631 64.709 63.100 -0.036 0.000 0.858 484 P CB 0.018 31.686 31.700 -0.053 0.000 0.789 485 K N -0.925 119.441 120.400 -0.056 0.000 2.076 485 K HA 0.005 4.324 4.320 -0.002 0.000 0.204 485 K C 1.843 178.413 176.600 -0.049 0.000 1.051 485 K CA 0.889 57.143 56.287 -0.055 0.000 0.949 485 K CB -0.853 31.610 32.500 -0.061 0.000 0.726 485 K HN -0.053 nan 8.250 nan 0.000 0.443 486 V N 2.088 121.975 119.914 -0.046 0.000 2.828 486 V HA -0.194 3.924 4.120 -0.002 0.000 0.260 486 V C 1.913 177.985 176.094 -0.037 0.000 1.101 486 V CA 1.473 63.751 62.300 -0.037 0.000 1.123 486 V CB -0.642 31.162 31.823 -0.032 0.000 0.704 486 V HN 0.250 nan 8.190 nan 0.000 0.493 487 L N -0.203 120.997 121.223 -0.038 0.000 2.202 487 L HA 0.089 4.427 4.340 -0.002 0.000 0.205 487 L C 2.703 179.551 176.870 -0.036 0.000 1.083 487 L CA 1.143 55.961 54.840 -0.036 0.000 0.790 487 L CB -0.770 41.267 42.059 -0.036 0.000 0.942 487 L HN 0.265 nan 8.230 nan 0.000 0.452 488 A N 0.168 122.964 122.820 -0.039 0.000 1.940 488 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 488 A C 2.289 179.854 177.584 -0.032 0.000 1.176 488 A CA 1.732 53.747 52.037 -0.037 0.000 0.631 488 A CB -0.572 18.403 19.000 -0.042 0.000 0.814 488 A HN 0.372 nan 8.150 nan 0.000 0.446 489 M N 0.709 120.288 119.600 -0.036 0.000 2.446 489 M HA -0.114 4.364 4.480 -0.002 0.000 0.263 489 M C 1.938 178.230 176.300 -0.014 0.000 1.066 489 M CA 1.386 56.669 55.300 -0.029 0.000 1.087 489 M CB -0.341 32.236 32.600 -0.038 0.000 1.406 489 M HN 0.617 nan 8.290 nan 0.000 0.459 490 S N -0.847 114.839 115.700 -0.024 0.000 2.607 490 S HA 0.071 4.540 4.470 -0.002 0.000 0.224 490 S C 1.591 176.184 174.600 -0.012 0.000 0.969 490 S CA 0.498 58.682 58.200 -0.025 0.000 0.927 490 S CB -0.367 62.812 63.200 -0.036 0.000 0.772 490 S HN 0.518 nan 8.310 nan 0.000 0.533 491 G N 0.687 109.483 108.800 -0.007 0.000 2.762 491 G HA2 0.115 4.073 3.960 -0.002 0.000 0.209 491 G HA3 0.115 4.073 3.960 -0.002 0.000 0.209 491 G C 0.058 174.967 174.900 0.016 0.000 1.134 491 G CA -0.259 44.841 45.100 -0.000 0.000 0.781 491 G HN 0.577 nan 8.290 nan 0.000 0.528 492 D N 1.343 121.761 120.400 0.029 0.000 2.533 492 D HA 0.082 4.721 4.640 -0.002 0.000 0.236 492 D C -0.563 175.779 176.300 0.070 0.000 1.137 492 D CA -1.059 52.980 54.000 0.066 0.000 0.867 492 D CB 1.475 42.345 40.800 0.116 0.000 1.170 492 D HN 0.063 nan 8.370 nan 0.000 0.474 493 P HA -0.130 nan 4.420 nan 0.000 0.231 493 P C -0.253 177.086 177.300 0.066 0.000 1.158 493 P CA 0.417 63.550 63.100 0.054 0.000 0.763 493 P CB 0.160 31.885 31.700 0.043 0.000 0.805 494 N N 0.494 119.239 118.700 0.076 0.000 2.437 494 N HA -0.003 4.736 4.740 -0.002 0.000 0.259 494 N C 1.090 176.684 175.510 0.139 0.000 0.983 494 N CA -0.653 52.441 53.050 0.074 0.000 0.937 494 N CB 0.521 38.940 38.487 -0.113 0.000 1.122 494 N HN -0.064 nan 8.380 nan 0.000 0.499 495 Y N 4.109 124.393 120.300 -0.027 0.000 2.283 495 Y HA -0.170 4.379 4.550 -0.003 0.000 0.285 495 Y C 1.190 177.091 175.900 0.002 0.000 1.176 495 Y CA 1.241 59.330 58.100 -0.019 0.000 1.229 495 Y CB -0.499 37.952 38.460 -0.016 0.000 0.975 495 Y HN 0.510 nan 8.280 nan 0.000 0.537 496 L N -0.135 120.842 121.223 -0.411 0.000 1.993 496 L HA -0.183 4.155 4.340 -0.002 0.000 0.206 496 L C 2.629 179.444 176.870 -0.091 0.000 1.074 496 L CA 1.869 56.443 54.840 -0.444 0.000 0.746 496 L CB -0.937 40.929 42.059 -0.322 0.000 0.896 496 L HN 0.308 nan 8.230 nan 0.000 0.435 497 H N -0.865 118.162 119.070 -0.072 0.000 2.460 497 H HA -0.192 4.362 4.556 -0.002 0.000 0.297 497 H C 2.457 177.756 175.328 -0.048 0.000 1.103 497 H CA 0.872 56.891 56.048 -0.048 0.000 1.292 497 H CB 0.183 29.925 29.762 -0.033 0.000 1.376 497 H HN 0.213 nan 8.280 nan 0.000 0.531 498 R N 0.284 120.822 120.500 0.063 0.000 2.060 498 R HA -0.058 4.281 4.340 -0.002 0.000 0.225 498 R C 2.456 178.707 176.300 -0.081 0.000 1.155 498 R CA 1.132 57.229 56.100 -0.005 0.000 0.930 498 R CB -0.090 30.209 30.300 -0.002 0.000 0.829 498 R HN 0.200 nan 8.270 nan 0.000 0.433 499 M N 0.103 119.613 119.600 -0.150 0.000 2.146 499 M HA -0.261 4.218 4.480 -0.002 0.000 0.256 499 M C 1.954 178.125 176.300 -0.215 0.000 1.075 499 M CA 1.930 57.037 55.300 -0.321 0.000 1.082 499 M CB -0.530 31.924 32.600 -0.242 0.000 1.355 499 M HN 0.273 nan 8.290 nan 0.000 0.402 500 T N -0.096 114.525 114.554 0.112 0.000 2.822 500 T HA -0.158 4.191 4.350 -0.002 0.000 0.270 500 T C 1.644 176.407 174.700 0.104 0.000 1.064 500 T CA 1.869 64.110 62.100 0.235 0.000 1.131 500 T CB -0.400 68.524 68.868 0.093 0.000 0.858 500 T HN 0.485 nan 8.240 nan 0.000 0.483 501 T N 1.927 116.467 114.554 -0.023 0.000 2.770 501 T HA 0.148 4.496 4.350 -0.002 0.000 0.263 501 T C 1.943 176.584 174.700 -0.098 0.000 1.039 501 T CA 0.632 62.703 62.100 -0.050 0.000 1.142 501 T CB -0.342 68.489 68.868 -0.062 0.000 0.868 501 T HN 0.270 nan 8.240 nan 0.000 0.435 502 L N 0.086 121.169 121.223 -0.235 0.000 2.265 502 L HA -0.051 4.287 4.340 -0.002 0.000 0.215 502 L C 2.067 178.788 176.870 -0.247 0.000 1.117 502 L CA 1.029 55.695 54.840 -0.291 0.000 0.782 502 L CB -0.510 41.278 42.059 -0.451 0.000 0.914 502 L HN 0.228 nan 8.230 nan 0.000 0.441 503 F N -1.244 118.670 119.950 -0.058 0.000 2.293 503 F HA -0.113 4.413 4.527 -0.002 0.000 0.297 503 F C 2.486 178.264 175.800 -0.037 0.000 1.089 503 F CA 0.533 58.504 58.000 -0.048 0.000 1.377 503 F CB -1.019 37.939 39.000 -0.070 0.000 1.051 503 F HN 0.093 nan 8.300 nan 0.000 0.511 504 C N -0.148 119.227 119.300 0.124 0.000 2.486 504 C HA -0.040 4.418 4.460 -0.002 0.000 0.279 504 C C 2.842 177.855 174.990 0.037 0.000 1.302 504 C CA 0.138 59.197 59.018 0.068 0.000 1.720 504 C CB -1.008 26.754 27.740 0.037 0.000 2.030 504 C HN 0.379 nan 8.230 nan 0.000 0.490 505 I N 1.847 122.423 120.570 0.009 0.000 2.099 505 I HA -0.230 3.939 4.170 -0.002 0.000 0.239 505 I C 1.886 178.009 176.117 0.009 0.000 1.066 505 I CA 1.753 63.048 61.300 -0.008 0.000 1.324 505 I CB -0.708 37.270 38.000 -0.037 0.000 1.037 505 I HN 0.320 nan 8.210 nan 0.000 0.401 506 N N 0.026 118.738 118.700 0.020 0.000 2.586 506 N HA -0.126 4.612 4.740 -0.002 0.000 0.191 506 N C 1.247 176.789 175.510 0.053 0.000 1.085 506 N CA 0.778 53.852 53.050 0.040 0.000 0.921 506 N CB -0.066 38.462 38.487 0.068 0.000 0.954 506 N HN 0.238 nan 8.380 nan 0.000 0.448 507 V N -0.758 119.188 119.914 0.053 0.000 3.013 507 V HA 0.111 4.230 4.120 -0.002 0.000 0.238 507 V C 1.801 177.918 176.094 0.037 0.000 1.161 507 V CA 0.338 62.668 62.300 0.050 0.000 1.170 507 V CB -0.017 31.842 31.823 0.059 0.000 0.917 507 V HN 0.178 nan 8.190 nan 0.000 0.478 508 L N 1.264 122.503 121.223 0.027 0.000 2.291 508 L HA -0.078 4.260 4.340 -0.002 0.000 0.214 508 L C 2.642 179.518 176.870 0.010 0.000 1.120 508 L CA 1.535 56.385 54.840 0.017 0.000 0.799 508 L CB -0.590 41.470 42.059 0.002 0.000 0.925 508 L HN 0.552 nan 8.230 nan 0.000 0.446 509 S N -0.555 115.150 115.700 0.008 0.000 2.406 509 S HA -0.174 4.294 4.470 -0.002 0.000 0.228 509 S C 1.641 176.248 174.600 0.011 0.000 1.020 509 S CA 0.765 58.967 58.200 0.003 0.000 0.965 509 S CB -0.270 62.930 63.200 0.001 0.000 0.798 509 S HN 0.460 nan 8.310 nan 0.000 0.488 510 E N 0.976 121.188 120.200 0.020 0.000 2.171 510 E HA -0.093 4.256 4.350 -0.002 0.000 0.197 510 E C 0.447 177.062 176.600 0.025 0.000 0.997 510 E CA 1.431 57.846 56.400 0.024 0.000 0.810 510 E CB -0.208 29.510 29.700 0.031 0.000 0.738 510 E HN 0.686 nan 8.360 nan 0.000 0.467 511 V N -2.842 117.088 119.914 0.027 0.000 2.670 511 V HA 0.384 4.503 4.120 -0.002 0.000 0.258 511 V C -0.412 175.702 176.094 0.033 0.000 0.906 511 V CA -0.873 61.446 62.300 0.032 0.000 0.887 511 V CB 0.535 32.383 31.823 0.041 0.000 1.059 511 V HN 0.180 nan 8.190 nan 0.000 0.484 512 C N 2.507 121.820 119.300 0.022 0.000 4.008 512 C HA 0.665 5.124 4.460 -0.002 0.000 0.312 512 C C 1.132 176.126 174.990 0.007 0.000 2.149 512 C CA 0.699 59.728 59.018 0.018 0.000 1.586 512 C CB -0.768 26.974 27.740 0.003 0.000 3.087 512 C HN 2.403 nan 8.230 nan 0.000 0.531 513 G N 2.079 110.883 108.800 0.007 0.000 2.977 513 G HA2 -0.222 3.736 3.960 -0.002 0.000 0.686 513 G HA3 -0.222 3.736 3.960 -0.002 0.000 0.686 513 G C 0.265 175.156 174.900 -0.016 0.000 1.088 513 G CA 0.480 45.580 45.100 0.001 0.000 0.845 513 G HN 0.744 nan 8.290 nan 0.000 0.565 514 Q N 0.542 120.333 119.800 -0.016 0.000 2.297 514 Q HA -0.179 4.159 4.340 -0.002 0.000 0.208 514 Q C 1.866 177.840 176.000 -0.043 0.000 0.981 514 Q CA 1.918 57.705 55.803 -0.026 0.000 0.876 514 Q CB -0.076 28.650 28.738 -0.019 0.000 0.921 514 Q HN 0.782 nan 8.270 nan 0.000 0.446 515 D N 0.459 120.836 120.400 -0.038 0.000 2.106 515 D HA -0.182 4.457 4.640 -0.002 0.000 0.194 515 D C 1.853 178.096 176.300 -0.096 0.000 0.988 515 D CA 1.622 55.591 54.000 -0.052 0.000 0.845 515 D CB -0.205 40.579 40.800 -0.026 0.000 0.990 515 D HN 0.386 nan 8.370 nan 0.000 0.448 516 I N 0.691 121.202 120.570 -0.099 0.000 2.361 516 I HA -0.216 3.953 4.170 -0.002 0.000 0.251 516 I C 2.502 178.512 176.117 -0.179 0.000 1.133 516 I CA 0.807 61.993 61.300 -0.190 0.000 1.413 516 I CB -0.443 37.462 38.000 -0.157 0.000 1.073 516 I HN 0.077 nan 8.210 nan 0.000 0.424 517 T N 0.282 114.773 114.554 -0.105 0.000 2.595 517 T HA -0.182 4.166 4.350 -0.002 0.000 0.264 517 T C 1.672 176.321 174.700 -0.085 0.000 1.058 517 T CA 2.158 64.210 62.100 -0.079 0.000 1.166 517 T CB -0.409 68.431 68.868 -0.047 0.000 0.863 517 T HN 0.322 nan 8.240 nan 0.000 0.415 518 T N 1.666 116.171 114.554 -0.083 0.000 3.194 518 T HA 0.154 4.503 4.350 -0.002 0.000 0.251 518 T C 1.485 176.113 174.700 -0.120 0.000 1.132 518 T CA 0.288 62.341 62.100 -0.078 0.000 1.028 518 T CB 0.181 69.014 68.868 -0.058 0.000 0.976 518 T HN 0.306 nan 8.240 nan 0.000 0.535 519 K N 1.142 121.432 120.400 -0.184 0.000 2.015 519 K HA 0.029 4.348 4.320 -0.002 0.000 0.215 519 K C 1.135 177.514 176.600 -0.370 0.000 1.027 519 K CA 1.146 57.229 56.287 -0.340 0.000 0.960 519 K CB 0.006 32.242 32.500 -0.440 0.000 0.798 519 K HN 0.356 nan 8.250 nan 0.000 0.447 520 H N -1.157 117.824 119.070 -0.148 0.000 2.893 520 H HA 0.202 4.757 4.556 -0.002 0.000 0.270 520 H C 1.169 176.440 175.328 -0.095 0.000 1.095 520 H CA -0.252 55.734 56.048 -0.104 0.000 1.186 520 H CB 0.827 30.532 29.762 -0.095 0.000 1.562 520 H HN 0.188 nan 8.280 nan 0.000 0.536 521 M N 0.192 119.780 119.600 -0.020 0.000 2.447 521 M HA 0.004 4.483 4.480 -0.002 0.000 0.266 521 M C 1.311 177.595 176.300 -0.026 0.000 1.120 521 M CA 0.795 56.078 55.300 -0.029 0.000 1.166 521 M CB 0.433 33.001 32.600 -0.053 0.000 1.349 521 M HN 0.314 nan 8.290 nan 0.000 0.463 522 L N 0.642 121.846 121.223 -0.031 0.000 2.418 522 L HA 0.149 4.487 4.340 -0.002 0.000 0.218 522 L C -1.297 175.563 176.870 -0.016 0.000 1.125 522 L CA 1.037 55.861 54.840 -0.026 0.000 0.835 522 L CB -1.218 40.823 42.059 -0.030 0.000 0.953 522 L HN 0.057 nan 8.230 nan 0.000 0.454 523 P HA -0.073 nan 4.420 nan 0.000 0.217 523 P C 1.455 178.753 177.300 -0.002 0.000 1.150 523 P CA 1.457 64.561 63.100 0.007 0.000 0.832 523 P CB -0.005 31.717 31.700 0.037 0.000 0.787 524 T N -0.312 114.238 114.554 -0.006 0.000 2.588 524 T HA -0.128 4.220 4.350 -0.002 0.000 0.261 524 T C 1.862 176.543 174.700 -0.031 0.000 1.069 524 T CA 1.648 63.736 62.100 -0.019 0.000 1.172 524 T CB -1.314 67.539 68.868 -0.026 0.000 0.863 524 T HN -0.150 nan 8.240 nan 0.000 0.408 525 V N 1.855 121.747 119.914 -0.038 0.000 2.428 525 V HA -0.204 3.914 4.120 -0.002 0.000 0.255 525 V C 2.468 178.540 176.094 -0.037 0.000 1.080 525 V CA 1.592 63.864 62.300 -0.048 0.000 1.083 525 V CB -0.911 30.884 31.823 -0.046 0.000 0.665 525 V HN 0.422 nan 8.190 nan 0.000 0.461 526 L N -0.797 120.411 121.223 -0.024 0.000 2.179 526 L HA -0.077 4.262 4.340 -0.002 0.000 0.208 526 L C 2.672 179.533 176.870 -0.015 0.000 1.096 526 L CA 1.449 56.279 54.840 -0.017 0.000 0.779 526 L CB -0.447 41.606 42.059 -0.011 0.000 0.922 526 L HN 0.252 nan 8.230 nan 0.000 0.443 527 R N -0.010 120.479 120.500 -0.017 0.000 2.200 527 R HA -0.018 4.321 4.340 -0.002 0.000 0.208 527 R C 2.179 178.467 176.300 -0.020 0.000 1.033 527 R CA 0.613 56.705 56.100 -0.015 0.000 1.000 527 R CB 0.078 30.371 30.300 -0.012 0.000 0.906 527 R HN 0.288 nan 8.270 nan 0.000 0.462 528 M N -0.170 119.411 119.600 -0.031 0.000 2.419 528 M HA 0.023 4.501 4.480 -0.002 0.000 0.264 528 M C 1.947 178.224 176.300 -0.039 0.000 1.082 528 M CA 0.909 56.184 55.300 -0.042 0.000 1.119 528 M CB 0.156 32.715 32.600 -0.067 0.000 1.398 528 M HN 0.236 nan 8.290 nan 0.000 0.453 529 A N 0.113 122.915 122.820 -0.029 0.000 2.225 529 A HA 0.006 4.325 4.320 -0.002 0.000 0.215 529 A C 1.834 179.415 177.584 -0.006 0.000 1.164 529 A CA 1.478 53.505 52.037 -0.017 0.000 0.710 529 A CB -0.921 18.074 19.000 -0.007 0.000 0.780 529 A HN 0.554 nan 8.150 nan 0.000 0.473 530 G N -1.025 107.770 108.800 -0.008 0.000 3.605 530 G HA2 0.197 4.155 3.960 -0.002 0.000 0.277 530 G HA3 0.197 4.155 3.960 -0.002 0.000 0.277 530 G C -0.101 174.798 174.900 -0.002 0.000 1.093 530 G CA -0.055 45.044 45.100 -0.001 0.000 0.821 530 G HN 0.396 nan 8.290 nan 0.000 0.532 531 D N 1.298 121.694 120.400 -0.008 0.000 2.350 531 D HA 0.115 4.753 4.640 -0.002 0.000 0.249 531 D C -0.823 175.479 176.300 0.003 0.000 1.119 531 D CA -1.551 52.446 54.000 -0.006 0.000 0.886 531 D CB 2.540 43.329 40.800 -0.017 0.000 1.195 531 D HN 0.015 nan 8.370 nan 0.000 0.437 532 P HA -0.106 nan 4.420 nan 0.000 0.218 532 P C 0.533 177.838 177.300 0.007 0.000 1.148 532 P CA 0.471 63.574 63.100 0.006 0.000 0.822 532 P CB 0.272 31.973 31.700 0.000 0.000 0.784 533 V N 1.196 121.115 119.914 0.008 0.000 2.408 533 V HA 0.265 4.383 4.120 -0.002 0.000 0.267 533 V C 1.968 178.088 176.094 0.043 0.000 1.047 533 V CA 0.215 62.521 62.300 0.010 0.000 0.937 533 V CB 0.322 32.147 31.823 0.004 0.000 0.999 533 V HN 0.063 nan 8.190 nan 0.000 0.472 534 A N 4.394 127.258 122.820 0.074 0.000 1.986 534 A HA -0.212 4.107 4.320 -0.002 0.000 0.220 534 A C 1.844 179.541 177.584 0.188 0.000 1.171 534 A CA 2.268 54.390 52.037 0.142 0.000 0.640 534 A CB -0.667 18.440 19.000 0.179 0.000 0.811 534 A HN 0.846 nan 8.150 nan 0.000 0.451 535 N N -0.517 118.300 118.700 0.195 0.000 2.519 535 N HA -0.041 4.697 4.740 -0.002 0.000 0.186 535 N C 1.033 176.322 175.510 -0.368 0.000 1.062 535 N CA 1.308 54.439 53.050 0.135 0.000 0.910 535 N CB -0.056 38.692 38.487 0.435 0.000 0.958 535 N HN 0.367 nan 8.380 nan 0.000 0.445 536 V N -0.594 119.207 119.914 -0.189 0.000 3.621 536 V HA 0.153 4.271 4.120 -0.002 0.000 0.263 536 V C 1.911 177.848 176.094 -0.262 0.000 1.272 536 V CA 0.413 62.563 62.300 -0.250 0.000 1.080 536 V CB 0.010 31.780 31.823 -0.088 0.000 0.816 536 V HN 0.175 nan 8.190 nan 0.000 0.451 537 R N 0.692 121.096 120.500 -0.160 0.000 2.080 537 R HA -0.003 4.336 4.340 -0.002 0.000 0.222 537 R C 2.329 178.611 176.300 -0.030 0.000 1.107 537 R CA 1.688 57.753 56.100 -0.059 0.000 0.980 537 R CB -0.384 29.940 30.300 0.040 0.000 0.879 537 R HN 0.671 nan 8.270 nan 0.000 0.439 538 F N 0.408 120.387 119.950 0.049 0.000 2.407 538 F HA 0.082 4.607 4.527 -0.002 0.000 0.299 538 F C 1.077 176.853 175.800 -0.039 0.000 1.097 538 F CA 0.709 58.749 58.000 0.067 0.000 1.422 538 F CB -0.722 38.355 39.000 0.129 0.000 1.067 538 F HN -0.143 nan 8.300 nan 0.000 0.539 539 N N -0.009 118.197 118.700 -0.823 0.000 2.461 539 N HA 0.046 4.785 4.740 -0.002 0.000 0.188 539 N C 1.284 176.593 175.510 -0.336 0.000 1.134 539 N CA 0.103 52.774 53.050 -0.632 0.000 0.878 539 N CB 0.321 38.274 38.487 -0.890 0.000 0.972 539 N HN 0.214 nan 8.380 nan 0.000 0.456 540 V N -0.055 119.732 119.914 -0.211 0.000 2.690 540 V HA 0.100 4.218 4.120 -0.002 0.000 0.240 540 V C 2.095 178.164 176.094 -0.041 0.000 1.078 540 V CA 1.046 63.271 62.300 -0.126 0.000 1.102 540 V CB -0.166 31.600 31.823 -0.094 0.000 0.800 540 V HN 0.216 nan 8.190 nan 0.000 0.479 541 A N -0.265 122.567 122.820 0.021 0.000 2.024 541 A HA -0.225 4.093 4.320 -0.002 0.000 0.220 541 A C 2.201 179.840 177.584 0.092 0.000 1.164 541 A CA 1.853 53.940 52.037 0.083 0.000 0.643 541 A CB -0.365 18.736 19.000 0.168 0.000 0.806 541 A HN 0.495 nan 8.150 nan 0.000 0.451 542 K N -0.396 120.049 120.400 0.076 0.000 2.167 542 K HA 0.004 4.322 4.320 -0.002 0.000 0.203 542 K C 2.177 178.796 176.600 0.030 0.000 1.052 542 K CA 1.031 57.359 56.287 0.069 0.000 0.956 542 K CB -0.050 32.474 32.500 0.041 0.000 0.735 542 K HN 0.440 nan 8.250 nan 0.000 0.451 543 S N 1.605 117.295 115.700 -0.017 0.000 2.399 543 S HA -0.081 4.387 4.470 -0.002 0.000 0.231 543 S C 1.851 176.449 174.600 -0.004 0.000 1.022 543 S CA 0.976 59.158 58.200 -0.029 0.000 0.983 543 S CB -0.126 63.028 63.200 -0.076 0.000 0.803 543 S HN 0.210 nan 8.310 nan 0.000 0.480 544 L N 0.946 122.172 121.223 0.006 0.000 2.049 544 L HA -0.025 4.314 4.340 -0.002 0.000 0.203 544 L C 2.711 179.595 176.870 0.023 0.000 1.074 544 L CA 1.102 55.949 54.840 0.012 0.000 0.749 544 L CB -0.675 41.392 42.059 0.014 0.000 0.907 544 L HN 0.314 nan 8.230 nan 0.000 0.439 545 Q N 0.516 120.340 119.800 0.039 0.000 2.443 545 Q HA -0.258 4.080 4.340 -0.002 0.000 0.213 545 Q C 1.895 177.920 176.000 0.041 0.000 0.982 545 Q CA 1.510 57.339 55.803 0.044 0.000 0.894 545 Q CB 0.231 29.009 28.738 0.067 0.000 0.947 545 Q HN 0.184 nan 8.270 nan 0.000 0.480 546 K N 0.491 120.914 120.400 0.038 0.000 2.161 546 K HA 0.023 4.341 4.320 -0.002 0.000 0.205 546 K C 1.804 178.420 176.600 0.026 0.000 1.035 546 K CA 1.074 57.384 56.287 0.038 0.000 0.970 546 K CB -0.270 32.257 32.500 0.045 0.000 0.866 546 K HN 0.338 nan 8.250 nan 0.000 0.461 547 I N -1.470 119.111 120.570 0.018 0.000 2.830 547 I HA 0.123 4.292 4.170 -0.002 0.000 0.263 547 I C 1.788 177.909 176.117 0.007 0.000 1.230 547 I CA 1.035 62.341 61.300 0.009 0.000 1.480 547 I CB -0.857 37.143 38.000 -0.000 0.000 1.095 547 I HN 0.129 nan 8.210 nan 0.000 0.455 548 G N 2.804 111.610 108.800 0.010 0.000 2.719 548 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.219 548 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.219 548 G C -0.367 174.537 174.900 0.006 0.000 1.234 548 G CA 1.607 46.711 45.100 0.008 0.000 0.788 548 G HN 0.375 nan 8.290 nan 0.000 0.619 549 P HA -0.100 nan 4.420 nan 0.000 0.216 549 P C 1.895 179.198 177.300 0.005 0.000 1.154 549 P CA 1.056 64.161 63.100 0.008 0.000 0.865 549 P CB -0.190 31.517 31.700 0.012 0.000 0.789 550 I N -2.081 118.493 120.570 0.006 0.000 2.657 550 I HA -0.161 4.008 4.170 -0.002 0.000 0.261 550 I C 0.974 177.090 176.117 -0.003 0.000 1.212 550 I CA 0.657 61.958 61.300 0.003 0.000 1.453 550 I CB -0.677 37.325 38.000 0.003 0.000 1.092 550 I HN -0.072 nan 8.210 nan 0.000 0.452 551 L N 1.301 122.522 121.223 -0.004 0.000 2.325 551 L HA 0.234 4.573 4.340 -0.002 0.000 0.279 551 L C -0.193 176.673 176.870 -0.006 0.000 1.054 551 L CA -1.055 53.780 54.840 -0.008 0.000 0.804 551 L CB 0.831 42.884 42.059 -0.009 0.000 1.200 551 L HN 0.094 nan 8.230 nan 0.000 0.436 552 D N 0.071 120.466 120.400 -0.008 0.000 2.382 552 D HA -0.085 4.553 4.640 -0.002 0.000 0.240 552 D C 0.682 176.979 176.300 -0.005 0.000 1.146 552 D CA -0.360 53.637 54.000 -0.006 0.000 0.897 552 D CB 0.448 41.243 40.800 -0.007 0.000 1.197 552 D HN 0.491 nan 8.370 nan 0.000 0.432 553 N N 0.671 119.369 118.700 -0.003 0.000 2.588 553 N HA -0.218 4.521 4.740 -0.002 0.000 0.190 553 N C 1.280 176.788 175.510 -0.003 0.000 1.094 553 N CA 1.123 54.172 53.050 -0.002 0.000 0.921 553 N CB 0.006 38.492 38.487 -0.001 0.000 0.959 553 N HN 0.399 nan 8.380 nan 0.000 0.448 554 S N -1.503 114.194 115.700 -0.005 0.000 2.325 554 S HA -0.051 4.418 4.470 -0.002 0.000 0.214 554 S C 1.701 176.297 174.600 -0.006 0.000 1.031 554 S CA 1.639 59.836 58.200 -0.005 0.000 0.972 554 S CB -0.779 62.417 63.200 -0.007 0.000 0.908 554 S HN 0.434 nan 8.310 nan 0.000 0.453 555 T N 2.891 117.440 114.554 -0.009 0.000 2.915 555 T HA 0.106 4.454 4.350 -0.002 0.000 0.269 555 T C 1.660 176.355 174.700 -0.007 0.000 1.071 555 T CA 0.859 62.953 62.100 -0.010 0.000 1.132 555 T CB -0.329 68.530 68.868 -0.014 0.000 0.878 555 T HN 0.281 nan 8.240 nan 0.000 0.479 556 L N 0.679 121.899 121.223 -0.006 0.000 2.353 556 L HA -0.096 4.243 4.340 -0.002 0.000 0.220 556 L C 2.706 179.575 176.870 -0.003 0.000 1.133 556 L CA 0.862 55.700 54.840 -0.004 0.000 0.798 556 L CB -0.282 41.776 42.059 -0.002 0.000 0.922 556 L HN 0.229 nan 8.230 nan 0.000 0.445 557 Q N -1.005 118.793 119.800 -0.003 0.000 2.304 557 Q HA -0.007 4.332 4.340 -0.002 0.000 0.204 557 Q C 2.315 178.314 176.000 -0.002 0.000 0.936 557 Q CA 1.091 56.892 55.803 -0.002 0.000 0.878 557 Q CB -0.144 28.592 28.738 -0.002 0.000 0.983 557 Q HN 0.553 nan 8.270 nan 0.000 0.516 558 S N 2.050 117.748 115.700 -0.003 0.000 2.563 558 S HA -0.212 4.257 4.470 -0.002 0.000 0.236 558 S C 1.342 175.940 174.600 -0.002 0.000 1.085 558 S CA 1.540 59.738 58.200 -0.003 0.000 1.341 558 S CB -0.380 62.817 63.200 -0.005 0.000 1.186 558 S HN 0.191 nan 8.310 nan 0.000 0.408 559 E N -0.145 120.053 120.200 -0.003 0.000 2.538 559 E HA 0.406 4.755 4.350 -0.002 0.000 0.207 559 E C 1.460 178.059 176.600 -0.002 0.000 1.002 559 E CA -0.041 56.358 56.400 -0.002 0.000 0.952 559 E CB 0.435 30.134 29.700 -0.003 0.000 1.031 559 E HN 0.345 nan 8.360 nan 0.000 0.476 560 V N 0.536 120.449 119.914 -0.002 0.000 2.407 560 V HA -0.141 3.978 4.120 -0.002 0.000 0.245 560 V C 2.197 178.293 176.094 0.002 0.000 1.041 560 V CA 1.596 63.896 62.300 -0.001 0.000 1.040 560 V CB -0.085 31.737 31.823 -0.002 0.000 0.671 560 V HN 0.183 nan 8.190 nan 0.000 0.455 561 K N -0.036 120.365 120.400 0.002 0.000 2.116 561 K HA -0.081 4.238 4.320 -0.002 0.000 0.203 561 K C -0.339 176.264 176.600 0.004 0.000 1.052 561 K CA 0.993 57.282 56.287 0.003 0.000 0.952 561 K CB -0.772 31.728 32.500 0.001 0.000 0.729 561 K HN 0.371 nan 8.250 nan 0.000 0.446 562 P HA -0.182 nan 4.420 nan 0.000 0.215 562 P C 1.124 178.428 177.300 0.006 0.000 1.153 562 P CA 1.122 64.225 63.100 0.004 0.000 0.853 562 P CB 0.068 31.770 31.700 0.003 0.000 0.788 563 I N -1.525 119.049 120.570 0.007 0.000 2.286 563 I HA -0.126 4.043 4.170 -0.002 0.000 0.245 563 I C 2.313 178.439 176.117 0.015 0.000 1.104 563 I CA 1.284 62.589 61.300 0.009 0.000 1.397 563 I CB -1.619 36.385 38.000 0.006 0.000 1.072 563 I HN -0.019 nan 8.210 nan 0.000 0.417 564 L N 0.435 121.667 121.223 0.015 0.000 2.131 564 L HA -0.185 4.154 4.340 -0.002 0.000 0.210 564 L C 2.293 179.175 176.870 0.019 0.000 1.092 564 L CA 1.285 56.138 54.840 0.020 0.000 0.759 564 L CB -0.409 41.659 42.059 0.016 0.000 0.903 564 L HN 0.309 nan 8.230 nan 0.000 0.435 565 E N -0.507 119.701 120.200 0.013 0.000 2.371 565 E HA -0.161 4.188 4.350 -0.002 0.000 0.194 565 E C 1.926 178.535 176.600 0.014 0.000 1.012 565 E CA 0.231 56.637 56.400 0.011 0.000 0.860 565 E CB 0.255 29.959 29.700 0.006 0.000 0.811 565 E HN 0.355 nan 8.360 nan 0.000 0.502 566 K N 1.128 121.538 120.400 0.017 0.000 2.098 566 K HA -0.024 4.295 4.320 -0.002 0.000 0.203 566 K C 2.049 178.665 176.600 0.027 0.000 1.051 566 K CA 0.404 56.702 56.287 0.019 0.000 0.957 566 K CB 0.143 32.653 32.500 0.016 0.000 0.738 566 K HN 0.052 nan 8.250 nan 0.000 0.447 567 L N 1.381 122.624 121.223 0.034 0.000 2.083 567 L HA -0.159 4.179 4.340 -0.002 0.000 0.209 567 L C 2.616 179.519 176.870 0.055 0.000 1.083 567 L CA 1.811 56.682 54.840 0.051 0.000 0.752 567 L CB -1.092 41.007 42.059 0.066 0.000 0.899 567 L HN 0.438 nan 8.230 nan 0.000 0.433 568 T N -3.382 111.197 114.554 0.041 0.000 2.849 568 T HA -0.195 4.153 4.350 -0.002 0.000 0.270 568 T C 1.457 176.176 174.700 0.032 0.000 1.066 568 T CA 0.797 62.917 62.100 0.034 0.000 1.130 568 T CB -0.195 68.682 68.868 0.016 0.000 0.864 568 T HN 0.219 nan 8.240 nan 0.000 0.481 569 Q N 1.832 121.650 119.800 0.029 0.000 2.297 569 Q HA 0.309 4.648 4.340 -0.002 0.000 0.265 569 Q C -0.334 175.684 176.000 0.031 0.000 0.904 569 Q CA -0.013 55.806 55.803 0.025 0.000 0.969 569 Q CB -0.174 28.575 28.738 0.019 0.000 1.115 569 Q HN 0.637 nan 8.270 nan 0.000 0.433 570 D N 0.833 121.258 120.400 0.042 0.000 2.229 570 D HA 0.026 4.665 4.640 -0.002 0.000 0.249 570 D C 0.796 177.123 176.300 0.044 0.000 1.027 570 D CA -0.213 53.816 54.000 0.048 0.000 0.923 570 D CB 1.399 42.240 40.800 0.068 0.000 1.174 570 D HN 0.052 nan 8.370 nan 0.000 0.443 571 Q N 2.052 121.876 119.800 0.040 0.000 2.403 571 Q HA -0.025 4.313 4.340 -0.002 0.000 0.203 571 Q C -0.511 175.513 176.000 0.040 0.000 0.932 571 Q CA 0.240 56.063 55.803 0.033 0.000 0.945 571 Q CB 0.205 28.958 28.738 0.026 0.000 1.045 571 Q HN 0.363 nan 8.270 nan 0.000 0.511 572 D N 0.832 121.266 120.400 0.057 0.000 2.274 572 D HA 0.123 4.761 4.640 -0.002 0.000 0.239 572 D C 1.150 177.494 176.300 0.074 0.000 1.104 572 D CA -0.330 53.711 54.000 0.068 0.000 0.840 572 D CB 1.856 42.714 40.800 0.095 0.000 1.100 572 D HN -0.127 nan 8.370 nan 0.000 0.477 573 V N 4.097 124.041 119.914 0.051 0.000 2.231 573 V HA -0.271 3.848 4.120 -0.002 0.000 0.250 573 V C 1.731 177.857 176.094 0.053 0.000 1.058 573 V CA 1.770 64.091 62.300 0.035 0.000 1.022 573 V CB -0.298 31.526 31.823 0.002 0.000 0.640 573 V HN 0.661 nan 8.190 nan 0.000 0.445 574 D N -0.530 119.910 120.400 0.067 0.000 2.378 574 D HA -0.031 4.607 4.640 -0.002 0.000 0.227 574 D C 1.727 178.204 176.300 0.295 0.000 1.012 574 D CA 0.712 54.781 54.000 0.115 0.000 0.905 574 D CB 0.463 41.288 40.800 0.042 0.000 0.895 574 D HN 0.400 nan 8.370 nan 0.000 0.532 575 V N 0.334 120.398 119.914 0.250 0.000 3.125 575 V HA -0.062 4.057 4.120 -0.002 0.000 0.249 575 V C 2.178 178.405 176.094 0.221 0.000 1.113 575 V CA 0.585 63.065 62.300 0.300 0.000 1.106 575 V CB 0.106 32.064 31.823 0.225 0.000 0.768 575 V HN 0.020 nan 8.190 nan 0.000 0.468 576 K N -0.128 120.360 120.400 0.147 0.000 2.001 576 K HA -0.165 4.153 4.320 -0.002 0.000 0.208 576 K C 2.187 178.829 176.600 0.069 0.000 1.048 576 K CA 1.915 58.257 56.287 0.092 0.000 0.932 576 K CB -0.450 32.089 32.500 0.064 0.000 0.715 576 K HN 0.434 nan 8.250 nan 0.000 0.437 577 Y N 1.138 121.374 120.300 -0.106 0.000 2.040 577 Y HA -0.265 4.284 4.550 -0.002 0.000 0.275 577 Y C 1.496 177.222 175.900 -0.290 0.000 1.171 577 Y CA 1.674 59.605 58.100 -0.282 0.000 1.123 577 Y CB -0.351 37.787 38.460 -0.537 0.000 0.963 577 Y HN -0.055 nan 8.280 nan 0.000 0.493 578 F N -0.387 119.626 119.950 0.105 0.000 2.754 578 F HA 0.200 4.726 4.527 -0.003 0.000 0.303 578 F C 1.698 177.505 175.800 0.012 0.000 1.196 578 F CA 0.589 58.607 58.000 0.029 0.000 1.416 578 F CB -0.519 38.604 39.000 0.205 0.000 1.092 578 F HN 0.214 nan 8.300 nan 0.000 0.541 579 A N -1.283 121.590 122.820 0.089 0.000 2.340 579 A HA 0.139 4.458 4.320 -0.002 0.000 0.213 579 A C 1.779 179.358 177.584 -0.008 0.000 1.299 579 A CA 0.029 52.105 52.037 0.064 0.000 0.994 579 A CB 0.118 19.169 19.000 0.085 0.000 1.132 579 A HN 0.321 nan 8.150 nan 0.000 0.519 580 Q N -0.717 119.038 119.800 -0.076 0.000 2.402 580 Q HA 0.040 4.378 4.340 -0.002 0.000 0.231 580 Q C 1.546 177.443 176.000 -0.171 0.000 0.888 580 Q CA 0.980 56.725 55.803 -0.098 0.000 0.938 580 Q CB 0.400 29.087 28.738 -0.085 0.000 1.086 580 Q HN 0.514 nan 8.270 nan 0.000 0.543 581 E N -0.590 119.421 120.200 -0.316 0.000 2.474 581 E HA 0.102 4.451 4.350 -0.002 0.000 0.194 581 E C 1.058 177.546 176.600 -0.186 0.000 1.041 581 E CA 0.855 57.017 56.400 -0.397 0.000 0.874 581 E CB 0.245 29.352 29.700 -0.987 0.000 0.914 581 E HN 0.294 nan 8.360 nan 0.000 0.498 582 A N 0.285 123.050 122.820 -0.092 0.000 2.132 582 A HA 0.205 4.524 4.320 -0.002 0.000 0.213 582 A C 1.903 179.483 177.584 -0.007 0.000 1.154 582 A CA 0.320 52.358 52.037 0.003 0.000 0.753 582 A CB -0.242 18.795 19.000 0.062 0.000 0.826 582 A HN 0.317 nan 8.150 nan 0.000 0.469 583 L N -0.854 120.351 121.223 -0.029 0.000 2.102 583 L HA -0.029 4.309 4.340 -0.002 0.000 0.202 583 L C 1.513 178.369 176.870 -0.023 0.000 1.076 583 L CA 1.174 56.002 54.840 -0.020 0.000 0.761 583 L CB -0.697 41.348 42.059 -0.024 0.000 0.921 583 L HN 0.169 nan 8.230 nan 0.000 0.444 584 T N 0.008 114.538 114.554 -0.040 0.000 3.745 584 T HA 0.060 4.408 4.350 -0.002 0.000 0.253 584 T C 1.055 175.743 174.700 -0.021 0.000 1.088 584 T CA 0.322 62.402 62.100 -0.033 0.000 0.969 584 T CB -0.232 68.607 68.868 -0.049 0.000 1.075 584 T HN 0.091 nan 8.240 nan 0.000 0.608 585 V N -0.783 119.125 119.914 -0.010 0.000 3.283 585 V HA 0.232 4.350 4.120 -0.002 0.000 0.265 585 V C 1.242 177.339 176.094 0.006 0.000 1.672 585 V CA -0.058 62.243 62.300 0.002 0.000 1.020 585 V CB 0.305 32.135 31.823 0.011 0.000 0.854 585 V HN 0.414 nan 8.190 nan 0.000 0.408 586 L N 0.115 121.340 121.223 0.004 0.000 2.728 586 L HA 0.304 4.643 4.340 -0.002 0.000 0.238 586 L C 1.318 178.189 176.870 0.002 0.000 1.143 586 L CA 0.550 55.392 54.840 0.005 0.000 0.937 586 L CB 0.567 42.630 42.059 0.006 0.000 1.225 586 L HN 0.444 nan 8.230 nan 0.000 0.507 587 S N -0.509 115.191 115.700 -0.000 0.000 2.769 587 S HA -0.229 4.239 4.470 -0.002 0.000 0.264 587 S C 0.977 175.575 174.600 -0.003 0.000 1.288 587 S CA 0.882 59.081 58.200 -0.001 0.000 1.378 587 S CB -1.274 61.927 63.200 0.001 0.000 1.702 587 S HN 0.381 nan 8.310 nan 0.000 0.656 588 L N 1.211 122.432 121.223 -0.003 0.000 2.693 588 L HA 0.259 4.597 4.340 -0.002 0.000 0.242 588 L C 1.389 178.256 176.870 -0.005 0.000 1.157 588 L CA 0.288 55.126 54.840 -0.003 0.000 0.929 588 L CB -0.642 41.416 42.059 -0.001 0.000 1.103 588 L HN 0.556 nan 8.230 nan 0.000 0.430 589 A N 0.000 122.815 122.820 -0.008 0.000 2.254 589 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 589 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 589 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486