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 3c3b_1_B DATA FIRST_RESID 2 DATA SEQUENCE LSNKLTLDKL DVKGKRVVMR VDFNVPMKNN QITNNQRIKA AVPSIKFCLD DATA SEQUENCE NGAKSVVLMS HLGRPDGVPM PDKYSLEPVA VELKSLLGKD VLFLKDcVXX DATA SEQUENCE XXEKAcANPA AGSVILLENL RFHVEEEGKG KDASGNKVKA EPAKIEAFRA DATA SEQUENCE SLSKLGDVYV NDAFGTAHRA HSSMVGVNLP QKAGGFLMKK ELNYFAKALE DATA SEQUENCE SPERPFLAIL GGAKVADKIQ LINNMLDKVN EMIIGGGMAF TFLKVLNNME DATA SEQUENCE IGTSLFDEEG AKIVKDLMSK AEKNGVKITL PVDFVTADKF DENAKTGQAT DATA SEQUENCE VASGIPAGWM GLDCGPESSK KYAEAVTRAK QIVWNGPVGV FEWEAFARGT DATA SEQUENCE KALMDEVVKA TSRGCITIIG GXXXXXXXXX XXXXDKVSHV STGGGASLEL DATA SEQUENCE LEGKVLPGVD ALSNI 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.873 176.870 0.005 0.000 1.165 2 L CA 0.000 54.852 54.840 0.019 0.000 0.813 2 L CB 0.000 42.073 42.059 0.023 0.000 0.961 3 S N 0.205 115.904 115.700 -0.002 0.000 2.522 3 S HA -0.056 4.413 4.470 -0.001 0.000 0.227 3 S C 0.851 175.450 174.600 -0.003 0.000 0.986 3 S CA 0.961 59.156 58.200 -0.009 0.000 0.929 3 S CB -0.545 62.646 63.200 -0.015 0.000 0.769 3 S HN 0.701 nan 8.310 nan 0.000 0.529 4 N N 0.783 119.485 118.700 0.003 0.000 2.235 4 N HA 0.116 4.856 4.740 -0.001 0.000 0.209 4 N C -0.450 175.064 175.510 0.008 0.000 1.122 4 N CA -0.222 52.831 53.050 0.005 0.000 0.845 4 N CB 0.165 38.657 38.487 0.007 0.000 1.004 4 N HN 0.102 nan 8.380 nan 0.000 0.499 5 K N 0.872 121.277 120.400 0.008 0.000 2.259 5 K HA 0.316 4.636 4.320 -0.001 0.000 0.249 5 K C -0.160 176.441 176.600 0.002 0.000 0.942 5 K CA -0.872 55.421 56.287 0.010 0.000 0.816 5 K CB 2.332 34.843 32.500 0.018 0.000 1.155 5 K HN 0.054 nan 8.250 nan 0.000 0.428 6 L N 2.853 124.078 121.223 0.003 0.000 2.559 6 L HA 0.006 4.345 4.340 -0.001 0.000 0.274 6 L C 0.165 177.017 176.870 -0.029 0.000 1.205 6 L CA 0.867 55.703 54.840 -0.006 0.000 0.907 6 L CB 0.192 42.253 42.059 0.003 0.000 1.153 6 L HN 0.764 nan 8.230 nan 0.000 0.490 7 T N 1.406 115.931 114.554 -0.049 0.000 2.930 7 T HA 0.239 4.588 4.350 -0.001 0.000 0.290 7 T C 0.747 175.343 174.700 -0.174 0.000 1.052 7 T CA -0.949 61.088 62.100 -0.106 0.000 1.017 7 T CB 1.829 70.652 68.868 -0.074 0.000 1.137 7 T HN 0.464 nan 8.240 nan 0.000 0.511 8 L N 1.476 122.475 121.223 -0.374 0.000 2.081 8 L HA -0.102 4.238 4.340 -0.001 0.000 0.212 8 L C 2.218 178.815 176.870 -0.455 0.000 1.080 8 L CA 2.313 56.835 54.840 -0.529 0.000 0.754 8 L CB -1.066 40.369 42.059 -1.039 0.000 0.893 8 L HN 0.896 nan 8.230 nan 0.000 0.433 9 D N -1.474 118.711 120.400 -0.359 0.000 2.265 9 D HA -0.223 4.417 4.640 -0.001 0.000 0.208 9 D C 1.191 177.545 176.300 0.089 0.000 0.977 9 D CA 0.955 54.922 54.000 -0.054 0.000 0.871 9 D CB -0.222 40.651 40.800 0.121 0.000 0.925 9 D HN 0.340 nan 8.370 nan 0.000 0.485 10 K N -0.189 120.229 120.400 0.030 0.000 2.358 10 K HA 0.195 4.515 4.320 -0.001 0.000 0.200 10 K C 0.475 177.108 176.600 0.054 0.000 1.030 10 K CA -0.566 55.753 56.287 0.053 0.000 1.097 10 K CB 0.454 32.969 32.500 0.026 0.000 0.862 10 K HN 0.190 nan 8.250 nan 0.000 0.534 11 L N 2.521 123.775 121.223 0.051 0.000 2.331 11 L HA 0.206 4.546 4.340 -0.001 0.000 0.278 11 L C -0.358 176.568 176.870 0.092 0.000 1.106 11 L CA -0.329 54.539 54.840 0.048 0.000 0.824 11 L CB 0.818 42.883 42.059 0.011 0.000 1.142 11 L HN -0.051 nan 8.230 nan 0.000 0.443 12 D N 3.511 123.948 120.400 0.063 0.000 2.336 12 D HA 0.166 4.806 4.640 -0.001 0.000 0.249 12 D C 0.637 176.968 176.300 0.052 0.000 1.213 12 D CA 0.106 54.141 54.000 0.058 0.000 0.870 12 D CB 0.974 41.797 40.800 0.038 0.000 1.076 12 D HN 0.397 nan 8.370 nan 0.000 0.483 13 V N 1.507 121.455 119.914 0.057 0.000 3.605 13 V HA 0.293 4.412 4.120 -0.001 0.000 0.284 13 V C 0.939 177.040 176.094 0.012 0.000 1.386 13 V CA -0.482 61.842 62.300 0.041 0.000 1.053 13 V CB -0.761 31.102 31.823 0.066 0.000 0.857 13 V HN 0.343 nan 8.190 nan 0.000 0.436 14 K N 2.066 122.469 120.400 0.004 0.000 2.430 14 K HA 0.361 4.680 4.320 -0.001 0.000 0.280 14 K C 1.275 177.873 176.600 -0.004 0.000 1.063 14 K CA 1.090 57.371 56.287 -0.011 0.000 1.071 14 K CB -0.158 32.334 32.500 -0.013 0.000 0.899 14 K HN 0.850 nan 8.250 nan 0.000 0.473 15 G N 3.194 111.989 108.800 -0.008 0.000 2.153 15 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.252 15 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.252 15 G C -0.393 174.508 174.900 0.000 0.000 0.994 15 G CA 0.126 45.223 45.100 -0.004 0.000 0.698 15 G HN 0.492 nan 8.290 nan 0.000 0.521 16 K N 0.117 120.519 120.400 0.003 0.000 2.156 16 K HA 0.521 4.841 4.320 -0.001 0.000 0.254 16 K C 0.688 177.292 176.600 0.007 0.000 0.950 16 K CA -0.878 55.413 56.287 0.007 0.000 0.849 16 K CB 1.165 33.673 32.500 0.014 0.000 1.100 16 K HN 0.343 nan 8.250 nan 0.000 0.434 17 R N 0.716 121.220 120.500 0.006 0.000 2.389 17 R HA 0.295 4.634 4.340 -0.001 0.000 0.295 17 R C -0.212 176.094 176.300 0.011 0.000 1.075 17 R CA -0.497 55.607 56.100 0.006 0.000 1.005 17 R CB 0.595 30.896 30.300 0.002 0.000 0.987 17 R HN 0.188 nan 8.270 nan 0.000 0.452 18 V N 3.982 123.901 119.914 0.009 0.000 2.435 18 V HA 0.291 4.411 4.120 -0.001 0.000 0.290 18 V C -0.358 175.736 176.094 0.000 0.000 1.030 18 V CA -0.740 61.563 62.300 0.005 0.000 0.881 18 V CB 1.850 33.673 31.823 -0.000 0.000 0.983 18 V HN 0.471 nan 8.190 nan 0.000 0.445 19 V N 7.112 127.032 119.914 0.011 0.000 2.448 19 V HA 0.684 4.803 4.120 -0.001 0.000 0.295 19 V C -0.488 175.577 176.094 -0.049 0.000 1.025 19 V CA -0.454 61.853 62.300 0.012 0.000 0.859 19 V CB 1.468 33.324 31.823 0.055 0.000 0.988 19 V HN 0.938 nan 8.190 nan 0.000 0.431 20 M N 7.462 126.998 119.600 -0.107 0.000 2.197 20 M HA 0.579 5.058 4.480 -0.001 0.000 0.301 20 M C -0.764 175.411 176.300 -0.208 0.000 0.987 20 M CA -0.702 54.463 55.300 -0.226 0.000 0.921 20 M CB 1.282 33.780 32.600 -0.171 0.000 1.569 20 M HN 0.585 nan 8.290 nan 0.000 0.431 21 R N 3.524 123.867 120.500 -0.262 0.000 2.389 21 R HA 0.566 4.906 4.340 -0.001 0.000 0.295 21 R C -1.099 175.079 176.300 -0.203 0.000 1.075 21 R CA 0.049 56.062 56.100 -0.146 0.000 1.005 21 R CB 0.750 31.037 30.300 -0.023 0.000 0.987 21 R HN 0.661 nan 8.270 nan 0.000 0.452 22 V N -0.325 119.426 119.914 -0.272 0.000 3.102 22 V HA 0.430 4.549 4.120 -0.001 0.000 0.312 22 V C -0.390 175.549 176.094 -0.258 0.000 1.135 22 V CA -1.130 60.951 62.300 -0.366 0.000 1.022 22 V CB 2.319 33.618 31.823 -0.874 0.000 1.056 22 V HN 0.579 nan 8.190 nan 0.000 0.436 23 D N 1.162 121.497 120.400 -0.108 0.000 2.467 23 D HA 0.381 5.021 4.640 -0.001 0.000 0.220 23 D C -0.358 176.049 176.300 0.177 0.000 1.103 23 D CA -0.251 53.759 54.000 0.016 0.000 0.886 23 D CB 0.516 41.373 40.800 0.094 0.000 1.025 23 D HN 0.625 nan 8.370 nan 0.000 0.514 24 F N 2.208 122.125 119.950 -0.056 0.000 2.750 24 F HA 0.109 4.632 4.527 -0.006 0.000 0.297 24 F C 1.211 176.946 175.800 -0.109 0.000 1.138 24 F CA -0.770 57.199 58.000 -0.052 0.000 1.346 24 F CB 0.296 39.283 39.000 -0.022 0.000 0.965 24 F HN 0.145 nan 8.300 nan 0.000 0.514 25 N N 2.388 121.077 118.700 -0.019 0.000 3.050 25 N HA 0.066 4.806 4.740 -0.001 0.000 0.289 25 N C -0.407 175.099 175.510 -0.007 0.000 1.209 25 N CA -0.044 52.928 53.050 -0.131 0.000 1.154 25 N CB -0.018 38.255 38.487 -0.356 0.000 1.444 25 N HN 0.108 nan 8.380 nan 0.000 0.529 26 V N 0.862 120.788 119.914 0.020 0.000 2.686 26 V HA 0.671 4.790 4.120 -0.001 0.000 0.295 26 V C -1.987 174.128 176.094 0.036 0.000 1.057 26 V CA -1.973 60.342 62.300 0.024 0.000 1.012 26 V CB 0.854 32.676 31.823 -0.002 0.000 1.006 26 V HN 0.342 nan 8.190 nan 0.000 0.477 27 P HA 0.298 nan 4.420 nan 0.000 0.268 27 P C -0.652 176.671 177.300 0.038 0.000 1.204 27 P CA 0.019 63.146 63.100 0.044 0.000 0.768 27 P CB 0.800 32.521 31.700 0.035 0.000 0.842 28 M N 0.170 119.801 119.600 0.052 0.000 2.755 28 M HA 0.629 5.109 4.480 -0.001 0.000 0.273 28 M C -1.044 175.278 176.300 0.037 0.000 1.278 28 M CA -1.055 54.268 55.300 0.037 0.000 0.819 28 M CB 3.024 35.644 32.600 0.034 0.000 1.694 28 M HN 0.132 nan 8.290 nan 0.000 0.460 29 K N 1.845 122.258 120.400 0.021 0.000 2.581 29 K HA 0.452 4.772 4.320 -0.001 0.000 0.249 29 K C -1.112 175.490 176.600 0.004 0.000 0.966 29 K CA -0.298 55.999 56.287 0.017 0.000 0.811 29 K CB 1.088 33.598 32.500 0.017 0.000 1.223 29 K HN 0.979 nan 8.250 nan 0.000 0.438 30 N N 2.002 120.699 118.700 -0.005 0.000 3.558 30 N HA -0.246 4.494 4.740 -0.001 0.000 0.226 30 N C -0.753 174.746 175.510 -0.018 0.000 0.886 30 N CA 0.330 53.370 53.050 -0.017 0.000 0.948 30 N CB -0.807 37.672 38.487 -0.013 0.000 0.896 30 N HN 0.803 nan 8.380 nan 0.000 0.604 31 N N 1.883 120.570 118.700 -0.020 0.000 2.802 31 N HA 0.038 4.778 4.740 -0.001 0.000 0.288 31 N C -0.597 174.901 175.510 -0.019 0.000 1.268 31 N CA 0.257 53.296 53.050 -0.018 0.000 1.035 31 N CB 0.085 38.559 38.487 -0.021 0.000 1.353 31 N HN 0.237 nan 8.380 nan 0.000 0.522 32 Q N 0.982 120.774 119.800 -0.013 0.000 2.333 32 Q HA 0.380 4.720 4.340 -0.001 0.000 0.265 32 Q C -0.185 175.808 176.000 -0.011 0.000 0.989 32 Q CA -0.604 55.189 55.803 -0.016 0.000 0.842 32 Q CB 2.108 30.838 28.738 -0.012 0.000 1.262 32 Q HN 0.288 nan 8.270 nan 0.000 0.451 33 I N 2.302 122.859 120.570 -0.022 0.000 2.533 33 I HA -0.054 4.116 4.170 -0.001 0.000 0.284 33 I C 1.610 177.718 176.117 -0.015 0.000 1.109 33 I CA 0.422 61.710 61.300 -0.021 0.000 1.412 33 I CB 0.841 38.814 38.000 -0.045 0.000 1.396 33 I HN 0.711 nan 8.210 nan 0.000 0.543 34 T N 0.864 115.416 114.554 -0.004 0.000 3.044 34 T HA 0.096 4.446 4.350 -0.001 0.000 0.250 34 T C 0.523 175.222 174.700 -0.001 0.000 1.081 34 T CA -0.083 62.016 62.100 -0.001 0.000 1.040 34 T CB -0.001 68.870 68.868 0.005 0.000 0.962 34 T HN 0.542 nan 8.240 nan 0.000 0.506 35 N N 1.785 120.483 118.700 -0.004 0.000 2.572 35 N HA 0.186 4.926 4.740 -0.001 0.000 0.287 35 N C -0.907 174.594 175.510 -0.016 0.000 1.136 35 N CA -0.445 52.602 53.050 -0.004 0.000 0.900 35 N CB 1.397 39.889 38.487 0.009 0.000 1.484 35 N HN 0.210 nan 8.380 nan 0.000 0.526 36 N N 2.643 121.325 118.700 -0.029 0.000 2.276 36 N HA -0.011 4.729 4.740 -0.001 0.000 0.212 36 N C 0.874 176.358 175.510 -0.043 0.000 1.127 36 N CA 0.004 53.022 53.050 -0.055 0.000 0.834 36 N CB 0.257 38.702 38.487 -0.070 0.000 1.014 36 N HN 0.670 nan 8.380 nan 0.000 0.491 37 Q N 1.123 120.913 119.800 -0.016 0.000 2.084 37 Q HA -0.034 4.306 4.340 -0.001 0.000 0.202 37 Q C 1.423 177.438 176.000 0.026 0.000 0.978 37 Q CA 1.104 56.906 55.803 -0.002 0.000 0.844 37 Q CB 0.045 28.780 28.738 -0.005 0.000 0.898 37 Q HN 0.402 nan 8.270 nan 0.000 0.426 38 R N -0.148 120.379 120.500 0.046 0.000 2.152 38 R HA -0.078 4.262 4.340 -0.001 0.000 0.232 38 R C 2.265 178.661 176.300 0.160 0.000 1.117 38 R CA 1.260 57.432 56.100 0.120 0.000 0.981 38 R CB -0.106 30.281 30.300 0.145 0.000 0.870 38 R HN 0.365 nan 8.270 nan 0.000 0.451 39 I N 0.352 120.911 120.570 -0.019 0.000 2.235 39 I HA -0.214 3.956 4.170 -0.001 0.000 0.241 39 I C 2.125 178.213 176.117 -0.047 0.000 1.085 39 I CA 1.068 62.219 61.300 -0.248 0.000 1.378 39 I CB -0.272 37.425 38.000 -0.506 0.000 1.076 39 I HN 0.040 nan 8.210 nan 0.000 0.415 40 K N 1.220 121.600 120.400 -0.033 0.000 2.089 40 K HA -0.236 4.083 4.320 -0.001 0.000 0.210 40 K C 2.209 178.850 176.600 0.069 0.000 1.048 40 K CA 1.804 58.100 56.287 0.014 0.000 0.926 40 K CB -0.356 32.146 32.500 0.004 0.000 0.714 40 K HN 0.343 nan 8.250 nan 0.000 0.448 41 A N 1.043 123.918 122.820 0.091 0.000 2.024 41 A HA -0.142 4.178 4.320 -0.001 0.000 0.220 41 A C 2.169 179.847 177.584 0.156 0.000 1.164 41 A CA 1.915 54.023 52.037 0.118 0.000 0.643 41 A CB -0.457 18.618 19.000 0.124 0.000 0.806 41 A HN 0.385 nan 8.150 nan 0.000 0.451 42 A N -1.020 121.928 122.820 0.213 0.000 2.178 42 A HA 0.310 4.630 4.320 -0.001 0.000 0.211 42 A C 1.961 179.663 177.584 0.196 0.000 1.157 42 A CA 0.882 53.056 52.037 0.227 0.000 0.780 42 A CB -0.387 18.846 19.000 0.388 0.000 0.828 42 A HN 0.273 nan 8.150 nan 0.000 0.476 43 V N 0.809 120.824 119.914 0.168 0.000 2.343 43 V HA -0.157 3.963 4.120 -0.001 0.000 0.247 43 V C -0.197 175.990 176.094 0.155 0.000 1.051 43 V CA 2.543 64.928 62.300 0.142 0.000 1.036 43 V CB -1.238 30.643 31.823 0.097 0.000 0.654 43 V HN 0.366 nan 8.190 nan 0.000 0.451 44 P HA -0.081 nan 4.420 nan 0.000 0.217 44 P C 2.018 179.516 177.300 0.330 0.000 1.150 44 P CA 1.538 64.763 63.100 0.209 0.000 0.832 44 P CB -0.045 31.759 31.700 0.174 0.000 0.787 45 S N -0.697 115.172 115.700 0.281 0.000 2.356 45 S HA -0.140 4.330 4.470 -0.001 0.000 0.223 45 S C 1.851 176.563 174.600 0.187 0.000 1.032 45 S CA 1.160 59.471 58.200 0.184 0.000 1.005 45 S CB -1.101 62.100 63.200 0.001 0.000 0.867 45 S HN 0.109 nan 8.310 nan 0.000 0.449 46 I N 1.349 122.012 120.570 0.156 0.000 2.179 46 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 46 I C 2.435 178.643 176.117 0.151 0.000 1.088 46 I CA 1.299 62.679 61.300 0.133 0.000 1.357 46 I CB -0.324 37.752 38.000 0.128 0.000 1.051 46 I HN 0.205 nan 8.210 nan 0.000 0.409 47 K N 0.235 120.738 120.400 0.171 0.000 2.057 47 K HA -0.217 4.103 4.320 -0.001 0.000 0.207 47 K C 2.164 178.873 176.600 0.182 0.000 1.049 47 K CA 1.711 58.088 56.287 0.149 0.000 0.931 47 K CB -0.380 32.202 32.500 0.138 0.000 0.714 47 K HN 0.161 nan 8.250 nan 0.000 0.440 48 F N 1.581 121.609 119.950 0.130 0.000 2.126 48 F HA -0.331 4.176 4.527 -0.033 0.000 0.299 48 F C 2.242 178.094 175.800 0.088 0.000 1.096 48 F CA 1.368 59.462 58.000 0.156 0.000 1.255 48 F CB -0.363 38.842 39.000 0.342 0.000 0.997 48 F HN 0.032 nan 8.300 nan 0.000 0.479 49 C N 0.530 119.988 119.300 0.264 0.000 2.413 49 C HA -0.175 4.284 4.460 -0.001 0.000 0.276 49 C C 2.799 177.780 174.990 -0.016 0.000 1.236 49 C CA 1.222 60.309 59.018 0.115 0.000 1.735 49 C CB -1.391 26.416 27.740 0.110 0.000 2.031 49 C HN 0.517 nan 8.230 nan 0.000 0.474 50 L N 0.506 121.732 121.223 0.005 0.000 2.056 50 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 50 L C 2.220 179.051 176.870 -0.065 0.000 1.078 50 L CA 1.480 56.311 54.840 -0.015 0.000 0.749 50 L CB -0.760 41.306 42.059 0.012 0.000 0.901 50 L HN 0.280 nan 8.230 nan 0.000 0.433 51 D N -0.138 120.204 120.400 -0.096 0.000 2.218 51 D HA -0.136 4.503 4.640 -0.001 0.000 0.204 51 D C 1.375 177.542 176.300 -0.222 0.000 0.976 51 D CA 1.013 54.929 54.000 -0.140 0.000 0.853 51 D CB -0.156 40.560 40.800 -0.139 0.000 0.939 51 D HN 0.296 nan 8.370 nan 0.000 0.481 52 N N -0.497 118.008 118.700 -0.325 0.000 2.279 52 N HA 0.161 4.900 4.740 -0.001 0.000 0.226 52 N C 0.750 176.164 175.510 -0.161 0.000 1.126 52 N CA 0.381 53.234 53.050 -0.330 0.000 0.846 52 N CB 1.426 39.529 38.487 -0.641 0.000 1.050 52 N HN 0.133 nan 8.380 nan 0.000 0.502 53 G N 0.663 109.398 108.800 -0.108 0.000 2.132 53 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.234 53 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.234 53 G C 0.311 175.189 174.900 -0.036 0.000 0.989 53 G CA 0.055 45.120 45.100 -0.058 0.000 0.676 53 G HN 0.526 nan 8.290 nan 0.000 0.522 54 A N -0.192 122.608 122.820 -0.032 0.000 2.531 54 A HA 0.551 4.870 4.320 -0.001 0.000 0.236 54 A C 1.396 178.977 177.584 -0.006 0.000 1.062 54 A CA 1.376 53.408 52.037 -0.009 0.000 0.760 54 A CB 0.236 19.239 19.000 0.005 0.000 0.995 54 A HN 0.452 nan 8.150 nan 0.000 0.501 55 K N 0.246 120.646 120.400 -0.001 0.000 2.148 55 K HA -0.016 4.303 4.320 -0.001 0.000 0.204 55 K C 0.251 176.853 176.600 0.004 0.000 1.050 55 K CA 1.448 57.735 56.287 0.000 0.000 0.942 55 K CB -0.127 32.373 32.500 0.001 0.000 0.724 55 K HN 0.938 nan 8.250 nan 0.000 0.446 56 S N -1.726 113.978 115.700 0.007 0.000 2.645 56 S HA 0.347 4.817 4.470 -0.001 0.000 0.268 56 S C -1.230 173.378 174.600 0.014 0.000 1.110 56 S CA -1.284 56.924 58.200 0.012 0.000 0.823 56 S CB 1.684 64.891 63.200 0.011 0.000 1.091 56 S HN -0.188 nan 8.310 nan 0.000 0.466 57 V N 1.201 121.126 119.914 0.019 0.000 2.525 57 V HA 0.589 4.709 4.120 -0.001 0.000 0.299 57 V C -0.821 175.283 176.094 0.017 0.000 1.034 57 V CA -0.622 61.688 62.300 0.017 0.000 0.863 57 V CB 1.638 33.478 31.823 0.028 0.000 0.999 57 V HN 0.837 nan 8.190 nan 0.000 0.423 58 V N 6.419 126.335 119.914 0.003 0.000 2.370 58 V HA 0.454 4.574 4.120 -0.001 0.000 0.279 58 V C -0.059 176.026 176.094 -0.016 0.000 1.029 58 V CA -0.426 61.874 62.300 -0.000 0.000 0.870 58 V CB 1.532 33.348 31.823 -0.012 0.000 0.984 58 V HN 0.638 nan 8.190 nan 0.000 0.451 59 L N 6.798 128.017 121.223 -0.006 0.000 2.292 59 L HA 0.681 5.021 4.340 -0.001 0.000 0.284 59 L C -0.011 176.829 176.870 -0.050 0.000 1.065 59 L CA -0.177 54.633 54.840 -0.051 0.000 0.806 59 L CB 1.185 43.238 42.059 -0.009 0.000 1.175 59 L HN 0.705 nan 8.230 nan 0.000 0.431 60 M N 1.977 121.520 119.600 -0.096 0.000 2.457 60 M HA 0.794 5.274 4.480 -0.001 0.000 0.300 60 M C -1.005 175.252 176.300 -0.073 0.000 1.141 60 M CA -0.336 54.934 55.300 -0.050 0.000 0.901 60 M CB 2.403 34.991 32.600 -0.020 0.000 1.687 60 M HN 0.445 nan 8.290 nan 0.000 0.449 61 S N 0.567 116.264 115.700 -0.005 0.000 2.588 61 S HA 0.581 5.050 4.470 -0.001 0.000 0.269 61 S C -1.511 173.152 174.600 0.105 0.000 1.157 61 S CA -0.753 57.452 58.200 0.008 0.000 0.824 61 S CB 1.492 64.645 63.200 -0.078 0.000 1.126 61 S HN 1.038 nan 8.310 nan 0.000 0.464 62 H N 1.637 120.731 119.070 0.039 0.000 2.570 62 H HA 0.869 5.425 4.556 -0.000 0.000 0.342 62 H C -1.259 174.092 175.328 0.039 0.000 1.245 62 H CA -0.924 55.140 56.048 0.025 0.000 1.318 62 H CB 1.223 31.008 29.762 0.038 0.000 1.694 62 H HN 0.496 nan 8.280 nan 0.000 0.592 63 L N 0.511 121.715 121.223 -0.032 0.000 2.505 63 L HA 0.477 4.817 4.340 -0.001 0.000 0.266 63 L C 0.389 177.220 176.870 -0.065 0.000 0.954 63 L CA 1.034 55.834 54.840 -0.067 0.000 0.852 63 L CB 1.465 43.554 42.059 0.050 0.000 1.282 63 L HN 1.259 nan 8.230 nan 0.000 0.403 64 G N 4.169 112.914 108.800 -0.091 0.000 2.601 64 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.252 64 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.252 64 G C -0.185 174.543 174.900 -0.286 0.000 1.294 64 G CA 0.135 45.035 45.100 -0.333 0.000 0.912 64 G HN 0.779 nan 8.290 nan 0.000 0.574 65 R N 1.118 121.314 120.500 -0.507 0.000 2.651 65 R HA 0.314 4.654 4.340 -0.001 0.000 0.282 65 R C -1.660 174.502 176.300 -0.230 0.000 1.565 65 R CA -1.030 54.931 56.100 -0.232 0.000 1.661 65 R CB 1.670 31.914 30.300 -0.092 0.000 1.189 65 R HN 0.409 nan 8.270 nan 0.000 0.621 66 P HA -0.049 nan 4.420 nan 0.000 0.233 66 P C -0.570 176.758 177.300 0.047 0.000 1.167 66 P CA 0.560 63.698 63.100 0.063 0.000 0.770 66 P CB 0.357 32.233 31.700 0.293 0.000 0.837 67 D N -1.188 119.211 120.400 -0.001 0.000 2.981 67 D HA -0.146 4.493 4.640 -0.001 0.000 0.223 67 D C 1.105 177.386 176.300 -0.032 0.000 1.151 67 D CA 1.651 55.635 54.000 -0.028 0.000 0.827 67 D CB -1.957 38.831 40.800 -0.021 0.000 1.101 67 D HN 0.437 nan 8.370 nan 0.000 0.426 68 G N -2.074 106.720 108.800 -0.011 0.000 2.141 68 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.231 68 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.231 68 G C 0.175 175.047 174.900 -0.045 0.000 0.984 68 G CA 0.137 45.215 45.100 -0.037 0.000 0.660 68 G HN 0.665 nan 8.290 nan 0.000 0.525 69 V N 0.782 120.674 119.914 -0.036 0.000 2.459 69 V HA 0.558 4.678 4.120 -0.001 0.000 0.295 69 V C -2.034 173.923 176.094 -0.228 0.000 1.029 69 V CA -2.159 60.081 62.300 -0.099 0.000 0.874 69 V CB 1.985 33.765 31.823 -0.072 0.000 0.985 69 V HN 0.070 nan 8.190 nan 0.000 0.438 70 P HA 0.295 nan 4.420 nan 0.000 0.271 70 P C -0.387 176.442 177.300 -0.785 0.000 1.233 70 P CA 0.294 62.862 63.100 -0.887 0.000 0.764 70 P CB 0.231 31.628 31.700 -0.505 0.000 0.825 71 M N 5.867 124.753 119.600 -1.190 0.000 2.952 71 M HA 0.204 4.683 4.480 -0.001 0.000 0.259 71 M C -1.757 174.411 176.300 -0.219 0.000 1.306 71 M CA -1.409 53.628 55.300 -0.438 0.000 0.626 71 M CB 1.879 34.460 32.600 -0.032 0.000 1.423 71 M HN 0.169 nan 8.290 nan 0.000 0.459 72 P HA -0.085 nan 4.420 nan 0.000 0.230 72 P C 0.113 177.479 177.300 0.110 0.000 1.158 72 P CA 1.175 64.370 63.100 0.158 0.000 0.769 72 P CB 0.266 32.045 31.700 0.132 0.000 0.807 73 D N -0.803 119.601 120.400 0.007 0.000 2.360 73 D HA 0.030 4.670 4.640 -0.001 0.000 0.210 73 D C 1.710 177.971 176.300 -0.065 0.000 1.047 73 D CA 0.556 54.546 54.000 -0.017 0.000 0.854 73 D CB 0.446 41.224 40.800 -0.036 0.000 0.936 73 D HN 0.277 nan 8.370 nan 0.000 0.514 74 K N -0.879 119.455 120.400 -0.110 0.000 2.443 74 K HA 0.088 4.408 4.320 -0.001 0.000 0.200 74 K C 0.050 176.451 176.600 -0.332 0.000 1.278 74 K CA 0.099 56.192 56.287 -0.323 0.000 0.925 74 K CB 0.880 33.034 32.500 -0.577 0.000 1.225 74 K HN -0.029 nan 8.250 nan 0.000 0.514 75 Y N 0.572 121.007 120.300 0.224 0.000 2.685 75 Y HA 0.291 4.840 4.550 -0.001 0.000 0.257 75 Y C -0.315 175.786 175.900 0.334 0.000 1.053 75 Y CA -0.783 57.482 58.100 0.275 0.000 1.106 75 Y CB 1.542 40.210 38.460 0.345 0.000 1.193 75 Y HN -0.111 nan 8.280 nan 0.000 0.602 76 S N 0.659 116.594 115.700 0.392 0.000 2.565 76 S HA 0.245 4.715 4.470 -0.001 0.000 0.276 76 S C 0.879 175.557 174.600 0.130 0.000 1.326 76 S CA -0.377 58.010 58.200 0.312 0.000 1.045 76 S CB 0.680 64.034 63.200 0.258 0.000 0.918 76 S HN 0.611 nan 8.310 nan 0.000 0.505 77 L N 3.965 125.260 121.223 0.119 0.000 2.599 77 L HA 0.122 4.461 4.340 -0.001 0.000 0.230 77 L C 2.276 178.890 176.870 -0.427 0.000 1.141 77 L CA 0.237 55.093 54.840 0.026 0.000 0.877 77 L CB -0.295 41.934 42.059 0.282 0.000 1.009 77 L HN 0.833 nan 8.230 nan 0.000 0.447 78 E N 1.087 120.826 120.200 -0.767 0.000 2.065 78 E HA -0.249 4.101 4.350 -0.001 0.000 0.201 78 E C -0.650 175.648 176.600 -0.504 0.000 1.016 78 E CA 1.667 57.435 56.400 -1.055 0.000 0.818 78 E CB -0.428 28.926 29.700 -0.577 0.000 0.749 78 E HN 0.334 nan 8.360 nan 0.000 0.453 79 P HA -0.123 nan 4.420 nan 0.000 0.218 79 P C 1.416 178.613 177.300 -0.171 0.000 1.149 79 P CA 0.906 63.904 63.100 -0.169 0.000 0.817 79 P CB 0.061 31.700 31.700 -0.102 0.000 0.785 80 V N 0.171 119.976 119.914 -0.182 0.000 2.427 80 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 80 V C 2.495 178.478 176.094 -0.186 0.000 1.051 80 V CA 2.029 64.215 62.300 -0.189 0.000 1.048 80 V CB -1.687 30.054 31.823 -0.137 0.000 0.666 80 V HN 0.092 nan 8.190 nan 0.000 0.456 81 A N 0.044 122.765 122.820 -0.164 0.000 1.908 81 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 81 A C 2.390 179.928 177.584 -0.077 0.000 1.181 81 A CA 2.226 54.224 52.037 -0.065 0.000 0.627 81 A CB -0.676 18.291 19.000 -0.054 0.000 0.818 81 A HN 0.350 nan 8.150 nan 0.000 0.445 82 V N -0.139 119.705 119.914 -0.118 0.000 2.261 82 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 82 V C 2.585 178.632 176.094 -0.077 0.000 1.047 82 V CA 2.379 64.631 62.300 -0.081 0.000 1.015 82 V CB -0.822 30.950 31.823 -0.085 0.000 0.642 82 V HN 0.670 nan 8.190 nan 0.000 0.446 83 E N 0.453 120.590 120.200 -0.105 0.000 2.070 83 E HA -0.258 4.092 4.350 -0.001 0.000 0.197 83 E C 1.962 178.493 176.600 -0.114 0.000 1.004 83 E CA 1.637 57.971 56.400 -0.111 0.000 0.805 83 E CB -0.585 29.028 29.700 -0.146 0.000 0.744 83 E HN 0.415 nan 8.360 nan 0.000 0.451 84 L N 1.099 122.232 121.223 -0.149 0.000 2.079 84 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 84 L C 2.264 179.110 176.870 -0.039 0.000 1.081 84 L CA 2.179 56.946 54.840 -0.121 0.000 0.752 84 L CB -0.591 41.392 42.059 -0.127 0.000 0.896 84 L HN 0.120 nan 8.230 nan 0.000 0.433 85 K N -1.157 119.228 120.400 -0.024 0.000 2.074 85 K HA -0.183 4.136 4.320 -0.001 0.000 0.209 85 K C 2.083 178.680 176.600 -0.006 0.000 1.048 85 K CA 1.851 58.138 56.287 -0.001 0.000 0.926 85 K CB -0.158 32.343 32.500 0.002 0.000 0.713 85 K HN 0.398 nan 8.250 nan 0.000 0.444 86 S N 0.746 116.434 115.700 -0.020 0.000 2.387 86 S HA 0.007 4.477 4.470 -0.001 0.000 0.226 86 S C 1.786 176.377 174.600 -0.014 0.000 1.026 86 S CA 0.819 59.009 58.200 -0.017 0.000 0.972 86 S CB -0.071 63.114 63.200 -0.024 0.000 0.814 86 S HN 0.248 nan 8.310 nan 0.000 0.477 87 L N 0.705 121.913 121.223 -0.025 0.000 2.109 87 L HA 0.050 4.390 4.340 -0.001 0.000 0.207 87 L C 2.252 179.125 176.870 0.005 0.000 1.086 87 L CA 0.888 55.718 54.840 -0.017 0.000 0.760 87 L CB -0.305 41.732 42.059 -0.037 0.000 0.910 87 L HN 0.282 nan 8.230 nan 0.000 0.437 88 L N -0.332 120.898 121.223 0.012 0.000 2.209 88 L HA 0.049 4.389 4.340 -0.001 0.000 0.207 88 L C 1.332 178.220 176.870 0.030 0.000 1.094 88 L CA 0.932 55.793 54.840 0.034 0.000 0.790 88 L CB -0.202 41.885 42.059 0.047 0.000 0.932 88 L HN 0.520 nan 8.230 nan 0.000 0.447 89 G N 1.008 109.821 108.800 0.020 0.000 2.160 89 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 89 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 89 G C -0.069 174.844 174.900 0.022 0.000 1.022 89 G CA 0.403 45.514 45.100 0.018 0.000 0.741 89 G HN 0.425 nan 8.290 nan 0.000 0.508 90 K N -0.534 119.882 120.400 0.027 0.000 2.508 90 K HA 0.439 4.759 4.320 -0.001 0.000 0.260 90 K C -1.088 175.532 176.600 0.033 0.000 0.949 90 K CA -1.170 55.136 56.287 0.031 0.000 0.834 90 K CB 1.694 34.216 32.500 0.038 0.000 1.365 90 K HN 0.034 nan 8.250 nan 0.000 0.437 91 D N 1.017 121.437 120.400 0.033 0.000 2.399 91 D HA 0.194 4.834 4.640 -0.001 0.000 0.241 91 D C -1.109 175.222 176.300 0.052 0.000 1.133 91 D CA 0.032 54.054 54.000 0.038 0.000 0.890 91 D CB 1.003 41.824 40.800 0.035 0.000 1.201 91 D HN 0.122 nan 8.370 nan 0.000 0.432 92 V N 3.906 123.857 119.914 0.062 0.000 2.483 92 V HA 0.264 4.383 4.120 -0.001 0.000 0.297 92 V C -0.659 175.499 176.094 0.108 0.000 1.027 92 V CA -0.893 61.461 62.300 0.089 0.000 0.855 92 V CB 1.545 33.424 31.823 0.094 0.000 0.995 92 V HN 0.375 nan 8.190 nan 0.000 0.424 93 L N 5.205 126.497 121.223 0.115 0.000 2.264 93 L HA 0.489 4.829 4.340 -0.001 0.000 0.289 93 L C -0.490 176.491 176.870 0.186 0.000 1.044 93 L CA -0.113 54.801 54.840 0.124 0.000 0.807 93 L CB 0.741 42.845 42.059 0.075 0.000 1.192 93 L HN 0.588 nan 8.230 nan 0.000 0.425 94 F N 4.912 124.889 119.950 0.044 0.000 2.405 94 F HA 0.604 5.130 4.527 -0.002 0.000 0.355 94 F C -0.666 175.163 175.800 0.049 0.000 1.121 94 F CA -0.469 57.561 58.000 0.051 0.000 1.112 94 F CB 0.605 39.636 39.000 0.051 0.000 1.126 94 F HN 0.256 nan 8.300 nan 0.000 0.481 95 L N 7.514 128.463 121.223 -0.457 0.000 2.356 95 L HA 0.404 4.744 4.340 -0.001 0.000 0.277 95 L C 0.307 176.867 176.870 -0.516 0.000 0.996 95 L CA -0.661 53.970 54.840 -0.349 0.000 0.822 95 L CB 2.126 44.090 42.059 -0.158 0.000 1.256 95 L HN 0.690 nan 8.230 nan 0.000 0.413 96 K N 0.441 120.637 120.400 -0.341 0.000 2.352 96 K HA 0.107 4.427 4.320 -0.001 0.000 0.194 96 K C -0.113 176.460 176.600 -0.045 0.000 1.038 96 K CA 0.292 56.439 56.287 -0.232 0.000 1.023 96 K CB 0.638 33.084 32.500 -0.091 0.000 0.840 96 K HN 0.523 nan 8.250 nan 0.000 0.519 97 D N 0.003 120.384 120.400 -0.032 0.000 2.593 97 D HA 0.086 4.726 4.640 -0.001 0.000 0.241 97 D C 0.273 176.578 176.300 0.008 0.000 1.257 97 D CA -0.004 54.011 54.000 0.025 0.000 0.828 97 D CB 0.337 41.153 40.800 0.026 0.000 1.049 97 D HN 0.090 nan 8.370 nan 0.000 0.490 98 c N 0.691 119.276 118.600 -0.024 0.000 2.626 98 c HA 0.108 4.678 4.570 -0.001 0.000 0.266 98 c C 1.413 175.459 174.090 -0.072 0.000 1.317 98 c CA -0.412 55.889 56.329 -0.048 0.000 1.716 98 c CB -1.023 41.446 42.510 -0.069 0.000 1.819 98 c HN 0.215 nan 8.230 nan 0.000 0.578 105 K N -0.353 120.037 120.400 -0.016 0.000 3.510 105 K HA -0.294 4.026 4.320 -0.001 0.000 0.312 105 K C 1.506 178.102 176.600 -0.007 0.000 1.271 105 K CA 3.061 59.341 56.287 -0.011 0.000 1.002 105 K CB -2.836 29.659 32.500 -0.008 0.000 1.262 105 K HN 0.974 nan 8.250 nan 0.000 0.424 106 A N -0.489 122.327 122.820 -0.008 0.000 1.975 106 A HA 0.243 4.563 4.320 -0.001 0.000 0.215 106 A C 2.623 180.201 177.584 -0.011 0.000 1.170 106 A CA 1.647 53.681 52.037 -0.006 0.000 0.656 106 A CB -0.451 18.547 19.000 -0.004 0.000 0.821 106 A HN 1.143 nan 8.150 nan 0.000 0.449 107 c N -1.054 117.535 118.600 -0.019 0.000 2.541 107 c HA 0.184 4.754 4.570 -0.001 0.000 0.282 107 c C 3.138 177.212 174.090 -0.026 0.000 1.263 107 c CA 1.034 57.346 56.329 -0.028 0.000 1.709 107 c CB -1.104 41.383 42.510 -0.037 0.000 2.097 107 c HN 0.670 nan 8.230 nan 0.000 0.480 108 A N -0.456 122.349 122.820 -0.024 0.000 2.195 108 A HA 0.138 4.458 4.320 -0.001 0.000 0.210 108 A C 0.921 178.496 177.584 -0.015 0.000 1.165 108 A CA 0.841 52.864 52.037 -0.023 0.000 0.806 108 A CB -0.225 18.759 19.000 -0.026 0.000 0.847 108 A HN 0.560 nan 8.150 nan 0.000 0.482 109 N N 0.464 119.157 118.700 -0.011 0.000 2.723 109 N HA 0.310 5.049 4.740 -0.001 0.000 0.290 109 N C -3.149 172.359 175.510 -0.003 0.000 1.882 109 N CA -1.664 51.383 53.050 -0.006 0.000 0.851 109 N CB 0.814 39.298 38.487 -0.006 0.000 1.234 109 N HN 0.099 nan 8.380 nan 0.000 0.491 110 P HA 0.191 nan 4.420 nan 0.000 0.272 110 P C -0.387 176.916 177.300 0.005 0.000 1.240 110 P CA -0.426 62.676 63.100 0.003 0.000 0.791 110 P CB 0.536 32.240 31.700 0.006 0.000 0.978 111 A N 1.160 123.985 122.820 0.008 0.000 2.483 111 A HA 0.429 4.748 4.320 -0.001 0.000 0.238 111 A C 0.578 178.167 177.584 0.008 0.000 1.070 111 A CA 0.065 52.107 52.037 0.008 0.000 0.770 111 A CB -0.753 18.254 19.000 0.011 0.000 1.008 111 A HN 0.643 nan 8.150 nan 0.000 0.497 112 A N 0.860 123.684 122.820 0.006 0.000 2.567 112 A HA 0.454 4.774 4.320 -0.001 0.000 0.240 112 A C 1.689 179.278 177.584 0.008 0.000 1.053 112 A CA 0.968 53.008 52.037 0.005 0.000 0.755 112 A CB -0.865 18.136 19.000 0.003 0.000 0.978 112 A HN 2.788 nan 8.150 nan 0.000 0.507 113 G N 1.815 110.620 108.800 0.008 0.000 2.199 113 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.254 113 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.254 113 G C 0.556 175.468 174.900 0.019 0.000 0.982 113 G CA 0.401 45.508 45.100 0.012 0.000 0.632 113 G HN 1.264 nan 8.290 nan 0.000 0.529 114 S N -0.385 115.327 115.700 0.020 0.000 2.560 114 S HA 0.448 4.918 4.470 -0.001 0.000 0.284 114 S C 0.405 175.026 174.600 0.035 0.000 1.327 114 S CA 0.124 58.341 58.200 0.028 0.000 1.055 114 S CB 1.944 65.158 63.200 0.024 0.000 0.868 114 S HN 0.767 nan 8.310 nan 0.000 0.506 115 V N 4.783 124.726 119.914 0.047 0.000 2.378 115 V HA 0.453 4.572 4.120 -0.001 0.000 0.288 115 V C -0.251 175.888 176.094 0.075 0.000 1.016 115 V CA -0.438 61.899 62.300 0.062 0.000 0.840 115 V CB 1.038 32.906 31.823 0.076 0.000 0.994 115 V HN 0.719 nan 8.190 nan 0.000 0.431 116 I N 5.355 125.967 120.570 0.070 0.000 2.441 116 I HA 0.495 4.665 4.170 -0.001 0.000 0.295 116 I C -0.840 175.339 176.117 0.103 0.000 0.994 116 I CA -0.774 60.570 61.300 0.074 0.000 1.144 116 I CB 2.032 40.051 38.000 0.032 0.000 1.314 116 I HN 0.421 nan 8.210 nan 0.000 0.445 117 L N 7.424 128.745 121.223 0.163 0.000 2.325 117 L HA 0.554 4.893 4.340 -0.001 0.000 0.281 117 L C -0.849 176.091 176.870 0.117 0.000 1.004 117 L CA -0.196 54.777 54.840 0.222 0.000 0.823 117 L CB 1.135 43.432 42.059 0.396 0.000 1.236 117 L HN 0.416 nan 8.230 nan 0.000 0.415 118 L N 2.525 123.765 121.223 0.028 0.000 2.453 118 L HA 0.367 4.707 4.340 -0.001 0.000 0.261 118 L C 0.546 177.355 176.870 -0.100 0.000 1.179 118 L CA -0.661 54.107 54.840 -0.120 0.000 0.813 118 L CB 0.659 42.678 42.059 -0.067 0.000 1.110 118 L HN 0.630 nan 8.230 nan 0.000 0.466 119 E N 1.668 121.690 120.200 -0.298 0.000 2.422 119 E HA -0.096 4.254 4.350 -0.001 0.000 0.260 119 E C 0.023 176.568 176.600 -0.092 0.000 1.108 119 E CA -0.170 56.172 56.400 -0.098 0.000 0.943 119 E CB 0.339 29.977 29.700 -0.103 0.000 0.961 119 E HN 0.408 nan 8.360 nan 0.000 0.443 120 N N 3.018 121.530 118.700 -0.313 0.000 2.236 120 N HA -0.141 4.599 4.740 -0.001 0.000 0.274 120 N C 0.670 176.048 175.510 -0.220 0.000 1.339 120 N CA 0.481 53.281 53.050 -0.416 0.000 0.845 120 N CB 0.155 38.057 38.487 -0.975 0.000 1.091 120 N HN 0.576 nan 8.380 nan 0.000 0.489 121 L N 3.552 124.809 121.223 0.056 0.000 2.127 121 L HA -0.145 4.195 4.340 -0.001 0.000 0.211 121 L C 2.013 179.039 176.870 0.260 0.000 1.089 121 L CA 1.197 56.195 54.840 0.263 0.000 0.757 121 L CB -0.149 42.076 42.059 0.277 0.000 0.899 121 L HN 0.512 nan 8.230 nan 0.000 0.434 122 R N -0.982 119.603 120.500 0.142 0.000 2.319 122 R HA 0.007 4.347 4.340 -0.001 0.000 0.204 122 R C 1.316 177.757 176.300 0.234 0.000 0.954 122 R CA -0.052 56.116 56.100 0.115 0.000 1.066 122 R CB 0.080 30.426 30.300 0.076 0.000 0.991 122 R HN 0.175 nan 8.270 nan 0.000 0.486 123 F N 0.090 120.048 119.950 0.013 0.000 2.641 123 F HA -0.022 4.506 4.527 0.001 0.000 0.298 123 F C 0.721 176.298 175.800 -0.372 0.000 1.146 123 F CA 0.390 58.303 58.000 -0.146 0.000 1.464 123 F CB -0.366 38.535 39.000 -0.166 0.000 1.101 123 F HN 0.000 nan 8.300 nan 0.000 0.585 124 H N -0.982 118.135 119.070 0.078 0.000 2.505 124 H HA 0.184 4.740 4.556 -0.001 0.000 0.338 124 H C 1.061 176.232 175.328 -0.261 0.000 1.057 124 H CA -0.316 55.652 56.048 -0.134 0.000 1.202 124 H CB 2.653 32.233 29.762 -0.303 0.000 1.466 124 H HN -0.167 nan 8.280 nan 0.000 0.499 125 V N 3.659 123.491 119.914 -0.137 0.000 2.720 125 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 125 V C 1.216 177.151 176.094 -0.265 0.000 1.082 125 V CA 1.915 64.115 62.300 -0.168 0.000 1.101 125 V CB -0.166 31.589 31.823 -0.114 0.000 0.693 125 V HN 0.632 nan 8.190 nan 0.000 0.479 126 E N -0.104 119.841 120.200 -0.426 0.000 2.347 126 E HA -0.143 4.207 4.350 -0.001 0.000 0.196 126 E C 1.881 178.146 176.600 -0.559 0.000 1.008 126 E CA 0.904 56.999 56.400 -0.508 0.000 0.852 126 E CB -0.069 29.264 29.700 -0.612 0.000 0.783 126 E HN 0.771 nan 8.360 nan 0.000 0.505 127 E N 1.510 121.324 120.200 -0.644 0.000 2.006 127 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 127 E C 1.399 177.848 176.600 -0.250 0.000 0.993 127 E CA 1.660 57.923 56.400 -0.228 0.000 0.808 127 E CB -0.015 29.654 29.700 -0.052 0.000 0.764 127 E HN 0.287 nan 8.360 nan 0.000 0.449 128 E N -1.390 118.561 120.200 -0.415 0.000 2.299 128 E HA 0.111 4.460 4.350 -0.001 0.000 0.193 128 E C 1.117 177.521 176.600 -0.327 0.000 0.998 128 E CA 0.491 56.494 56.400 -0.662 0.000 0.851 128 E CB 0.178 29.478 29.700 -0.666 0.000 0.795 128 E HN 0.506 nan 8.360 nan 0.000 0.492 129 G N 1.755 110.418 108.800 -0.228 0.000 2.195 129 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.246 129 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.246 129 G C 0.239 175.067 174.900 -0.119 0.000 0.984 129 G CA 0.726 45.742 45.100 -0.140 0.000 0.633 129 G HN 0.359 nan 8.290 nan 0.000 0.525 130 K N -1.627 118.689 120.400 -0.141 0.000 2.556 130 K HA 0.804 5.124 4.320 -0.001 0.000 0.289 130 K C 0.136 176.667 176.600 -0.115 0.000 1.040 130 K CA -0.356 55.868 56.287 -0.106 0.000 0.894 130 K CB 1.375 33.826 32.500 -0.082 0.000 1.547 130 K HN 1.550 nan 8.250 nan 0.000 0.417 131 G N 0.113 108.864 108.800 -0.083 0.000 2.392 131 G HA2 0.323 4.283 3.960 -0.001 0.000 0.260 131 G HA3 0.323 4.283 3.960 -0.001 0.000 0.260 131 G C -1.892 172.978 174.900 -0.050 0.000 1.226 131 G CA -0.913 44.143 45.100 -0.073 0.000 0.913 131 G HN 0.494 nan 8.290 nan 0.000 0.483 132 K N 0.387 120.762 120.400 -0.041 0.000 2.477 132 K HA 0.513 4.833 4.320 -0.001 0.000 0.255 132 K C -1.237 175.345 176.600 -0.031 0.000 0.952 132 K CA -0.819 55.450 56.287 -0.030 0.000 0.826 132 K CB 2.395 34.884 32.500 -0.019 0.000 1.331 132 K HN 0.748 nan 8.250 nan 0.000 0.437 133 D N 0.018 120.402 120.400 -0.027 0.000 2.451 133 D HA 0.190 4.829 4.640 -0.001 0.000 0.259 133 D C 0.654 176.939 176.300 -0.025 0.000 1.201 133 D CA -0.667 53.316 54.000 -0.029 0.000 1.028 133 D CB 0.454 41.239 40.800 -0.026 0.000 1.095 133 D HN 0.457 nan 8.370 nan 0.000 0.539 134 A N -0.555 122.247 122.820 -0.029 0.000 2.248 134 A HA 0.005 4.325 4.320 -0.001 0.000 0.210 134 A C 1.579 179.153 177.584 -0.017 0.000 1.174 134 A CA 0.569 52.591 52.037 -0.026 0.000 0.750 134 A CB -0.746 18.233 19.000 -0.034 0.000 0.780 134 A HN 0.384 nan 8.150 nan 0.000 0.478 135 S N -2.067 113.624 115.700 -0.015 0.000 2.524 135 S HA 0.385 4.855 4.470 -0.001 0.000 0.215 135 S C 1.428 176.024 174.600 -0.006 0.000 0.986 135 S CA 0.656 58.850 58.200 -0.010 0.000 0.911 135 S CB 0.432 63.626 63.200 -0.010 0.000 0.805 135 S HN 1.494 nan 8.310 nan 0.000 0.501 136 G N 2.146 110.942 108.800 -0.007 0.000 2.176 136 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.232 136 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.232 136 G C -0.258 174.638 174.900 -0.007 0.000 0.986 136 G CA -0.534 44.564 45.100 -0.004 0.000 0.643 136 G HN 0.412 nan 8.290 nan 0.000 0.522 137 N N 1.539 120.232 118.700 -0.011 0.000 2.513 137 N HA 0.309 5.049 4.740 -0.001 0.000 0.268 137 N C 0.542 176.041 175.510 -0.017 0.000 1.180 137 N CA -0.004 53.038 53.050 -0.013 0.000 0.948 137 N CB 0.713 39.192 38.487 -0.013 0.000 1.083 137 N HN 0.120 nan 8.380 nan 0.000 0.455 138 K N 0.908 121.298 120.400 -0.018 0.000 2.524 138 K HA 0.050 4.370 4.320 -0.001 0.000 0.279 138 K C 0.081 176.666 176.600 -0.026 0.000 0.993 138 K CA 0.063 56.336 56.287 -0.023 0.000 1.030 138 K CB 0.033 32.521 32.500 -0.021 0.000 0.891 138 K HN 0.449 nan 8.250 nan 0.000 0.488 139 V N -0.580 119.314 119.914 -0.033 0.000 2.876 139 V HA 0.613 4.733 4.120 -0.001 0.000 0.312 139 V C -0.523 175.545 176.094 -0.043 0.000 1.085 139 V CA -1.172 61.107 62.300 -0.036 0.000 0.945 139 V CB 2.018 33.819 31.823 -0.037 0.000 1.017 139 V HN 0.772 nan 8.190 nan 0.000 0.428 140 K N 3.747 124.124 120.400 -0.039 0.000 2.123 140 K HA 0.917 5.237 4.320 -0.001 0.000 0.259 140 K C -0.162 176.410 176.600 -0.047 0.000 0.960 140 K CA -0.220 56.041 56.287 -0.043 0.000 0.872 140 K CB 2.100 34.580 32.500 -0.033 0.000 1.079 140 K HN 1.280 nan 8.250 nan 0.000 0.440 141 A N 2.560 125.346 122.820 -0.057 0.000 2.340 141 A HA 0.217 4.537 4.320 -0.001 0.000 0.268 141 A C -0.711 176.849 177.584 -0.040 0.000 1.100 141 A CA -0.612 51.389 52.037 -0.060 0.000 0.803 141 A CB 0.174 19.123 19.000 -0.085 0.000 1.043 141 A HN 0.859 nan 8.150 nan 0.000 0.488 142 E N 2.204 122.386 120.200 -0.031 0.000 2.249 142 E HA 0.253 4.603 4.350 -0.001 0.000 0.280 142 E C -1.813 174.779 176.600 -0.012 0.000 1.016 142 E CA -1.671 54.718 56.400 -0.018 0.000 0.830 142 E CB 1.180 30.873 29.700 -0.012 0.000 1.081 142 E HN 0.400 nan 8.360 nan 0.000 0.395 143 P HA -0.269 nan 4.420 nan 0.000 0.215 143 P C 0.955 178.258 177.300 0.005 0.000 1.157 143 P CA 1.589 64.688 63.100 -0.003 0.000 0.874 143 P CB 0.191 31.889 31.700 -0.004 0.000 0.790 144 A N -0.413 122.410 122.820 0.005 0.000 1.972 144 A HA -0.229 4.091 4.320 -0.001 0.000 0.219 144 A C 2.069 179.665 177.584 0.021 0.000 1.169 144 A CA 1.688 53.731 52.037 0.010 0.000 0.635 144 A CB -0.929 18.076 19.000 0.008 0.000 0.810 144 A HN 0.180 nan 8.150 nan 0.000 0.446 145 K N -0.523 119.889 120.400 0.019 0.000 2.062 145 K HA 0.056 4.376 4.320 -0.001 0.000 0.205 145 K C 1.808 178.441 176.600 0.055 0.000 1.051 145 K CA 1.191 57.497 56.287 0.031 0.000 0.941 145 K CB -0.310 32.196 32.500 0.010 0.000 0.719 145 K HN 0.519 nan 8.250 nan 0.000 0.440 146 I N 1.350 121.939 120.570 0.032 0.000 2.163 146 I HA -0.296 3.874 4.170 -0.001 0.000 0.243 146 I C 2.577 178.753 176.117 0.097 0.000 1.085 146 I CA 1.304 62.639 61.300 0.058 0.000 1.347 146 I CB -0.311 37.701 38.000 0.020 0.000 1.044 146 I HN 0.182 nan 8.210 nan 0.000 0.408 147 E N 1.622 121.853 120.200 0.053 0.000 2.070 147 E HA -0.246 4.103 4.350 -0.001 0.000 0.197 147 E C 2.081 178.707 176.600 0.043 0.000 1.004 147 E CA 2.047 58.468 56.400 0.036 0.000 0.805 147 E CB -0.296 29.413 29.700 0.016 0.000 0.744 147 E HN 0.425 nan 8.360 nan 0.000 0.451 148 A N -0.134 122.721 122.820 0.057 0.000 1.883 148 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 148 A C 2.359 179.985 177.584 0.071 0.000 1.186 148 A CA 1.581 53.650 52.037 0.052 0.000 0.624 148 A CB -1.139 17.896 19.000 0.058 0.000 0.822 148 A HN 0.483 nan 8.150 nan 0.000 0.444 149 F N 0.377 120.296 119.950 -0.052 0.000 2.102 149 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 149 F C 2.500 178.255 175.800 -0.075 0.000 1.105 149 F CA 1.879 59.831 58.000 -0.080 0.000 1.239 149 F CB -0.085 38.870 39.000 -0.075 0.000 0.991 149 F HN 0.106 nan 8.300 nan 0.000 0.474 150 R N 0.134 120.636 120.500 0.003 0.000 2.096 150 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 150 R C 2.443 178.654 176.300 -0.147 0.000 1.127 150 R CA 1.120 57.155 56.100 -0.108 0.000 0.968 150 R CB -0.757 29.532 30.300 -0.019 0.000 0.861 150 R HN 0.394 nan 8.270 nan 0.000 0.440 151 A N 0.566 123.329 122.820 -0.096 0.000 1.877 151 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 151 A C 2.212 179.720 177.584 -0.128 0.000 1.186 151 A CA 1.712 53.694 52.037 -0.091 0.000 0.620 151 A CB -0.547 18.423 19.000 -0.051 0.000 0.822 151 A HN 0.222 nan 8.150 nan 0.000 0.443 152 S N -0.052 115.549 115.700 -0.165 0.000 2.365 152 S HA -0.166 4.304 4.470 -0.001 0.000 0.225 152 S C 1.839 176.286 174.600 -0.254 0.000 1.039 152 S CA 1.700 59.778 58.200 -0.204 0.000 1.033 152 S CB -0.520 62.512 63.200 -0.280 0.000 0.887 152 S HN 0.521 nan 8.310 nan 0.000 0.447 153 L N 0.903 121.908 121.223 -0.364 0.000 2.056 153 L HA -0.079 4.261 4.340 -0.001 0.000 0.207 153 L C 2.511 179.281 176.870 -0.167 0.000 1.078 153 L CA 1.105 55.763 54.840 -0.303 0.000 0.749 153 L CB -0.763 41.069 42.059 -0.379 0.000 0.901 153 L HN 0.264 nan 8.230 nan 0.000 0.433 154 S N -0.164 115.444 115.700 -0.154 0.000 2.402 154 S HA -0.140 4.330 4.470 -0.001 0.000 0.229 154 S C 1.861 176.417 174.600 -0.072 0.000 1.021 154 S CA 1.045 59.182 58.200 -0.105 0.000 0.974 154 S CB -0.152 62.983 63.200 -0.108 0.000 0.800 154 S HN 0.351 nan 8.310 nan 0.000 0.484 155 K N 1.012 121.364 120.400 -0.080 0.000 2.280 155 K HA 0.051 4.371 4.320 -0.001 0.000 0.202 155 K C 1.506 178.077 176.600 -0.049 0.000 1.047 155 K CA 0.690 56.941 56.287 -0.059 0.000 0.942 155 K CB -0.313 32.148 32.500 -0.065 0.000 0.739 155 K HN 0.352 nan 8.250 nan 0.000 0.457 156 L N -0.212 120.977 121.223 -0.056 0.000 2.465 156 L HA -0.000 4.340 4.340 -0.001 0.000 0.224 156 L C 1.131 177.990 176.870 -0.017 0.000 1.145 156 L CA 0.084 54.899 54.840 -0.041 0.000 0.834 156 L CB -0.021 42.006 42.059 -0.052 0.000 0.944 156 L HN 0.124 nan 8.230 nan 0.000 0.451 157 G N -2.072 106.724 108.800 -0.007 0.000 2.695 157 G HA2 0.269 4.229 3.960 -0.001 0.000 0.290 157 G HA3 0.269 4.229 3.960 -0.001 0.000 0.290 157 G C -0.631 174.275 174.900 0.009 0.000 1.410 157 G CA -0.386 44.720 45.100 0.010 0.000 0.844 157 G HN -0.215 nan 8.290 nan 0.000 0.478 158 D N -1.161 119.247 120.400 0.013 0.000 2.216 158 D HA 0.046 4.686 4.640 -0.001 0.000 0.208 158 D C 1.363 177.679 176.300 0.026 0.000 0.960 158 D CA 1.381 55.388 54.000 0.013 0.000 0.861 158 D CB 0.784 41.590 40.800 0.010 0.000 0.985 158 D HN 0.413 nan 8.370 nan 0.000 0.493 159 V N -2.009 117.929 119.914 0.040 0.000 3.001 159 V HA 0.577 4.697 4.120 -0.001 0.000 0.314 159 V C -1.260 174.901 176.094 0.111 0.000 1.099 159 V CA -1.154 61.184 62.300 0.063 0.000 0.989 159 V CB 2.254 34.102 31.823 0.042 0.000 1.040 159 V HN 0.007 nan 8.190 nan 0.000 0.434 160 Y N 1.996 122.279 120.300 -0.029 0.000 2.364 160 Y HA 0.811 5.364 4.550 0.004 0.000 0.340 160 Y C -0.863 175.012 175.900 -0.042 0.000 0.975 160 Y CA -0.844 57.233 58.100 -0.037 0.000 1.089 160 Y CB 1.982 40.420 38.460 -0.037 0.000 1.192 160 Y HN 0.669 nan 8.280 nan 0.000 0.454 161 V N 6.234 125.828 119.914 -0.535 0.000 2.495 161 V HA 0.318 4.438 4.120 -0.001 0.000 0.298 161 V C -0.726 174.860 176.094 -0.848 0.000 1.031 161 V CA -1.033 60.944 62.300 -0.537 0.000 0.871 161 V CB 1.641 33.278 31.823 -0.311 0.000 0.988 161 V HN 0.778 nan 8.190 nan 0.000 0.432 162 N N 2.858 121.181 118.700 -0.628 0.000 2.485 162 N HA 0.275 5.015 4.740 -0.001 0.000 0.243 162 N C -0.282 175.120 175.510 -0.181 0.000 0.987 162 N CA -0.158 52.653 53.050 -0.397 0.000 0.940 162 N CB 1.480 39.876 38.487 -0.153 0.000 1.122 162 N HN 0.651 nan 8.380 nan 0.000 0.509 163 D N 1.764 122.075 120.400 -0.149 0.000 2.440 163 D HA 0.249 4.888 4.640 -0.001 0.000 0.216 163 D C -0.008 176.314 176.300 0.036 0.000 1.150 163 D CA -0.057 53.915 54.000 -0.047 0.000 0.832 163 D CB 0.290 41.056 40.800 -0.057 0.000 0.992 163 D HN 0.539 nan 8.370 nan 0.000 0.502 164 A N 0.485 123.321 122.820 0.026 0.000 3.118 164 A HA 0.148 4.468 4.320 -0.001 0.000 0.256 164 A C 1.117 178.777 177.584 0.125 0.000 1.667 164 A CA -0.508 51.565 52.037 0.059 0.000 1.338 164 A CB -1.372 17.645 19.000 0.028 0.000 1.127 164 A HN 0.336 nan 8.150 nan 0.000 0.634 165 F N 1.077 121.062 119.950 0.058 0.000 2.154 165 F HA -0.143 4.386 4.527 0.003 0.000 0.301 165 F C 2.042 177.894 175.800 0.087 0.000 1.087 165 F CA 2.038 60.085 58.000 0.079 0.000 1.274 165 F CB 0.024 39.090 39.000 0.109 0.000 1.009 165 F HN 0.436 nan 8.300 nan 0.000 0.485 166 G N -1.546 107.251 108.800 -0.006 0.000 2.625 166 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.214 166 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.214 166 G C 1.108 176.014 174.900 0.010 0.000 1.132 166 G CA 1.222 46.276 45.100 -0.077 0.000 0.782 166 G HN 0.415 nan 8.290 nan 0.000 0.538 167 T N 0.007 114.587 114.554 0.042 0.000 3.040 167 T HA 0.414 4.764 4.350 -0.001 0.000 0.266 167 T C 2.313 177.021 174.700 0.014 0.000 1.005 167 T CA 0.361 62.514 62.100 0.088 0.000 0.906 167 T CB 0.742 69.671 68.868 0.103 0.000 1.082 167 T HN 0.256 nan 8.240 nan 0.000 0.531 168 A N 2.386 125.190 122.820 -0.026 0.000 2.070 168 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 168 A C 1.983 179.555 177.584 -0.019 0.000 1.159 168 A CA 1.346 53.355 52.037 -0.046 0.000 0.656 168 A CB -0.705 18.238 19.000 -0.095 0.000 0.800 168 A HN 0.743 nan 8.150 nan 0.000 0.453 169 H N -1.084 117.855 119.070 -0.220 0.000 2.547 169 H HA 0.160 4.716 4.556 -0.001 0.000 0.266 169 H C -0.223 174.985 175.328 -0.200 0.000 0.988 169 H CA 0.147 56.086 56.048 -0.182 0.000 1.147 169 H CB -0.217 29.437 29.762 -0.181 0.000 1.365 169 H HN 0.163 nan 8.280 nan 0.000 0.589 170 R N 1.346 121.519 120.500 -0.544 0.000 2.229 170 R HA 0.447 4.787 4.340 -0.001 0.000 0.332 170 R C -0.184 175.836 176.300 -0.467 0.000 0.989 170 R CA -0.151 55.505 56.100 -0.741 0.000 0.842 170 R CB 1.147 30.708 30.300 -1.232 0.000 1.119 170 R HN 0.282 nan 8.270 nan 0.000 0.456 171 A N 4.777 127.434 122.820 -0.270 0.000 3.074 171 A HA 0.143 4.463 4.320 -0.001 0.000 0.251 171 A C -0.164 177.470 177.584 0.082 0.000 1.695 171 A CA -0.210 51.787 52.037 -0.067 0.000 1.343 171 A CB -0.709 18.278 19.000 -0.022 0.000 1.078 171 A HN 0.700 nan 8.150 nan 0.000 0.644 172 H N -0.736 118.303 119.070 -0.053 0.000 2.508 172 H HA 0.234 4.789 4.556 -0.000 0.000 0.344 172 H C 1.130 176.469 175.328 0.018 0.000 1.192 172 H CA -0.677 55.350 56.048 -0.033 0.000 1.290 172 H CB 1.386 31.110 29.762 -0.063 0.000 1.571 172 H HN 0.414 nan 8.280 nan 0.000 0.555 173 S N 0.679 116.494 115.700 0.193 0.000 2.374 173 S HA -0.232 4.238 4.470 -0.001 0.000 0.227 173 S C 2.214 176.886 174.600 0.120 0.000 1.037 173 S CA 1.819 60.125 58.200 0.177 0.000 1.024 173 S CB -0.324 63.083 63.200 0.345 0.000 0.861 173 S HN 0.770 nan 8.310 nan 0.000 0.456 174 S N 0.409 116.211 115.700 0.170 0.000 2.481 174 S HA 0.086 4.555 4.470 -0.001 0.000 0.231 174 S C 1.608 176.300 174.600 0.153 0.000 0.996 174 S CA 0.650 58.924 58.200 0.124 0.000 0.942 174 S CB -0.203 63.092 63.200 0.159 0.000 0.768 174 S HN 0.255 nan 8.310 nan 0.000 0.520 175 M N 1.226 120.899 119.600 0.121 0.000 2.552 175 M HA 0.266 4.746 4.480 -0.001 0.000 0.264 175 M C 1.949 178.286 176.300 0.061 0.000 1.159 175 M CA 0.895 56.264 55.300 0.115 0.000 1.176 175 M CB -0.309 32.310 32.600 0.032 0.000 1.327 175 M HN 0.472 nan 8.290 nan 0.000 0.481 176 V N -4.748 115.169 119.914 0.005 0.000 3.485 176 V HA 0.522 4.641 4.120 -0.001 0.000 0.280 176 V C 1.221 177.269 176.094 -0.077 0.000 1.495 176 V CA 0.642 62.923 62.300 -0.032 0.000 1.018 176 V CB -0.179 31.638 31.823 -0.010 0.000 0.818 176 V HN 0.293 nan 8.190 nan 0.000 0.436 177 G N 0.586 109.337 108.800 -0.082 0.000 3.502 177 G HA2 0.397 4.357 3.960 -0.001 0.000 0.267 177 G HA3 0.397 4.357 3.960 -0.001 0.000 0.267 177 G C 0.145 174.951 174.900 -0.157 0.000 1.090 177 G CA 0.135 45.184 45.100 -0.085 0.000 0.795 177 G HN 0.324 nan 8.290 nan 0.000 0.535 178 V N 2.050 121.780 119.914 -0.306 0.000 2.432 178 V HA 0.195 4.315 4.120 -0.001 0.000 0.271 178 V C -0.434 175.474 176.094 -0.310 0.000 1.046 178 V CA -0.788 61.282 62.300 -0.383 0.000 0.945 178 V CB 1.042 32.431 31.823 -0.723 0.000 0.992 178 V HN 0.224 nan 8.190 nan 0.000 0.471 179 N N 6.629 125.214 118.700 -0.192 0.000 3.105 179 N HA 0.466 5.206 4.740 -0.001 0.000 0.256 179 N C -0.812 174.638 175.510 -0.101 0.000 1.174 179 N CA 0.003 52.976 53.050 -0.129 0.000 1.030 179 N CB 0.994 39.426 38.487 -0.091 0.000 1.305 179 N HN 0.537 nan 8.380 nan 0.000 0.509 180 L N 0.493 121.655 121.223 -0.103 0.000 2.333 180 L HA 0.476 4.816 4.340 -0.001 0.000 0.263 180 L C -1.382 175.472 176.870 -0.028 0.000 1.014 180 L CA -1.927 52.885 54.840 -0.048 0.000 0.820 180 L CB 2.369 44.417 42.059 -0.017 0.000 1.352 180 L HN -0.004 nan 8.230 nan 0.000 0.421 181 P HA -0.096 nan 4.420 nan 0.000 0.216 181 P C -0.465 176.841 177.300 0.010 0.000 1.150 181 P CA 1.222 64.321 63.100 -0.002 0.000 0.837 181 P CB 0.285 31.985 31.700 0.001 0.000 0.786 182 Q N -0.131 119.685 119.800 0.027 0.000 2.357 182 Q HA 0.356 4.696 4.340 -0.001 0.000 0.266 182 Q C -0.637 175.417 176.000 0.089 0.000 1.021 182 Q CA -0.394 55.435 55.803 0.043 0.000 0.784 182 Q CB 1.752 30.512 28.738 0.036 0.000 1.243 182 Q HN 0.038 nan 8.270 nan 0.000 0.465 183 K N 1.575 122.039 120.400 0.107 0.000 2.483 183 K HA 0.661 4.981 4.320 -0.001 0.000 0.256 183 K C -1.227 175.454 176.600 0.135 0.000 0.961 183 K CA -0.362 56.067 56.287 0.236 0.000 0.873 183 K CB 1.841 34.473 32.500 0.220 0.000 1.107 183 K HN 0.527 nan 8.250 nan 0.000 0.432 184 A N 1.906 124.762 122.820 0.060 0.000 2.342 184 A HA 0.709 5.029 4.320 -0.001 0.000 0.323 184 A C 0.079 177.606 177.584 -0.095 0.000 1.125 184 A CA -0.750 51.266 52.037 -0.035 0.000 0.785 184 A CB 1.210 20.164 19.000 -0.077 0.000 1.221 184 A HN 0.730 nan 8.150 nan 0.000 0.463 185 G N 1.099 109.852 108.800 -0.078 0.000 2.365 185 G HA2 0.468 4.428 3.960 -0.001 0.000 0.249 185 G HA3 0.468 4.428 3.960 -0.001 0.000 0.249 185 G C 0.559 175.343 174.900 -0.193 0.000 1.288 185 G CA 0.423 45.465 45.100 -0.096 0.000 0.887 185 G HN 1.109 nan 8.290 nan 0.000 0.524 186 G N 0.520 109.197 108.800 -0.206 0.000 2.588 186 G HA2 0.365 4.325 3.960 -0.001 0.000 0.278 186 G HA3 0.365 4.325 3.960 -0.001 0.000 0.278 186 G C 0.583 175.337 174.900 -0.245 0.000 1.307 186 G CA -0.583 44.322 45.100 -0.325 0.000 1.016 186 G HN 0.400 nan 8.290 nan 0.000 0.503 187 F N -0.702 119.187 119.950 -0.102 0.000 2.293 187 F HA 0.024 4.574 4.527 0.039 0.000 0.300 187 F C 2.363 178.137 175.800 -0.044 0.000 1.086 187 F CA 0.380 58.322 58.000 -0.097 0.000 1.375 187 F CB -0.514 38.417 39.000 -0.113 0.000 1.045 187 F HN 0.255 nan 8.300 nan 0.000 0.516 188 L N -0.470 120.836 121.223 0.138 0.000 2.044 188 L HA -0.132 4.207 4.340 -0.001 0.000 0.205 188 L C 2.374 179.279 176.870 0.059 0.000 1.075 188 L CA 1.461 56.368 54.840 0.112 0.000 0.747 188 L CB -0.728 41.410 42.059 0.132 0.000 0.903 188 L HN 0.126 nan 8.230 nan 0.000 0.435 189 M N -0.108 119.533 119.600 0.068 0.000 2.106 189 M HA -0.264 4.216 4.480 -0.001 0.000 0.259 189 M C 2.284 178.586 176.300 0.003 0.000 1.068 189 M CA 1.993 57.340 55.300 0.078 0.000 1.100 189 M CB -0.436 32.217 32.600 0.087 0.000 1.351 189 M HN 0.281 nan 8.290 nan 0.000 0.404 190 K N -0.382 120.024 120.400 0.010 0.000 2.002 190 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 190 K C 2.206 178.778 176.600 -0.047 0.000 1.048 190 K CA 1.806 58.093 56.287 -0.001 0.000 0.930 190 K CB -0.302 32.228 32.500 0.051 0.000 0.714 190 K HN 0.352 nan 8.250 nan 0.000 0.438 191 K N 0.556 120.941 120.400 -0.024 0.000 2.020 191 K HA -0.214 4.106 4.320 -0.001 0.000 0.212 191 K C 1.911 178.421 176.600 -0.150 0.000 1.050 191 K CA 1.929 58.185 56.287 -0.051 0.000 0.929 191 K CB -0.019 32.511 32.500 0.049 0.000 0.714 191 K HN 0.200 nan 8.250 nan 0.000 0.443 192 E N 0.726 120.800 120.200 -0.210 0.000 2.023 192 E HA -0.222 4.127 4.350 -0.001 0.000 0.196 192 E C 2.239 178.705 176.600 -0.223 0.000 1.003 192 E CA 1.404 57.560 56.400 -0.407 0.000 0.809 192 E CB -0.327 28.644 29.700 -1.216 0.000 0.755 192 E HN 0.378 nan 8.360 nan 0.000 0.449 193 L N 0.993 122.122 121.223 -0.156 0.000 2.083 193 L HA -0.184 4.156 4.340 -0.001 0.000 0.209 193 L C 2.188 179.051 176.870 -0.012 0.000 1.083 193 L CA 0.999 55.856 54.840 0.029 0.000 0.752 193 L CB -0.508 41.588 42.059 0.063 0.000 0.899 193 L HN 0.165 nan 8.230 nan 0.000 0.433 194 N N -1.032 117.597 118.700 -0.117 0.000 2.104 194 N HA -0.229 4.510 4.740 -0.001 0.000 0.190 194 N C 1.892 177.207 175.510 -0.324 0.000 1.024 194 N CA 1.317 54.235 53.050 -0.220 0.000 0.853 194 N CB -0.161 38.144 38.487 -0.304 0.000 1.008 194 N HN 0.249 nan 8.380 nan 0.000 0.424 195 Y N 0.045 120.126 120.300 -0.364 0.000 2.114 195 Y HA -0.151 4.394 4.550 -0.009 0.000 0.284 195 Y C 1.900 177.574 175.900 -0.377 0.000 1.143 195 Y CA 1.252 59.063 58.100 -0.482 0.000 1.135 195 Y CB -0.369 37.572 38.460 -0.866 0.000 0.980 195 Y HN 0.038 nan 8.280 nan 0.000 0.499 196 F N -1.116 118.847 119.950 0.021 0.000 2.325 196 F HA -0.143 4.384 4.527 0.001 0.000 0.299 196 F C 2.357 178.166 175.800 0.014 0.000 1.090 196 F CA 0.572 58.602 58.000 0.049 0.000 1.392 196 F CB -0.436 38.620 39.000 0.094 0.000 1.053 196 F HN 0.020 nan 8.300 nan 0.000 0.521 197 A N 0.318 123.223 122.820 0.141 0.000 1.854 197 A HA -0.172 4.147 4.320 -0.001 0.000 0.214 197 A C 2.100 179.684 177.584 -0.001 0.000 1.192 197 A CA 1.523 53.600 52.037 0.066 0.000 0.611 197 A CB -0.546 18.469 19.000 0.025 0.000 0.832 197 A HN 0.235 nan 8.150 nan 0.000 0.442 198 K N -0.089 120.270 120.400 -0.068 0.000 2.147 198 K HA 0.011 4.331 4.320 -0.001 0.000 0.205 198 K C 2.182 178.697 176.600 -0.142 0.000 1.049 198 K CA 1.110 57.329 56.287 -0.114 0.000 0.936 198 K CB -0.301 32.096 32.500 -0.172 0.000 0.722 198 K HN 0.450 nan 8.250 nan 0.000 0.446 199 A N 0.843 123.579 122.820 -0.140 0.000 1.877 199 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 199 A C 1.972 179.399 177.584 -0.263 0.000 1.186 199 A CA 1.291 53.164 52.037 -0.273 0.000 0.620 199 A CB -0.514 18.389 19.000 -0.162 0.000 0.822 199 A HN 0.180 nan 8.150 nan 0.000 0.443 200 L N -1.781 119.448 121.223 0.010 0.000 2.446 200 L HA 0.032 4.372 4.340 -0.001 0.000 0.219 200 L C 2.222 179.142 176.870 0.084 0.000 1.116 200 L CA 0.897 55.815 54.840 0.130 0.000 0.844 200 L CB -0.203 41.971 42.059 0.192 0.000 0.970 200 L HN 0.344 nan 8.230 nan 0.000 0.457 201 E N -0.162 120.053 120.200 0.025 0.000 2.228 201 E HA 0.012 4.362 4.350 -0.001 0.000 0.197 201 E C 0.867 177.466 176.600 -0.001 0.000 0.909 201 E CA 0.456 56.869 56.400 0.022 0.000 0.911 201 E CB 0.599 30.307 29.700 0.014 0.000 0.887 201 E HN 0.189 nan 8.360 nan 0.000 0.481 202 S N 1.167 116.844 115.700 -0.038 0.000 2.078 202 S HA 0.464 4.933 4.470 -0.001 0.000 0.168 202 S C -2.770 171.774 174.600 -0.093 0.000 1.542 202 S CA -1.586 56.585 58.200 -0.048 0.000 1.223 202 S CB 0.452 63.625 63.200 -0.046 0.000 1.152 202 S HN -0.163 nan 8.310 nan 0.000 0.452 203 P HA 0.200 nan 4.420 nan 0.000 0.269 203 P C 0.034 177.245 177.300 -0.148 0.000 1.209 203 P CA -0.013 62.934 63.100 -0.256 0.000 0.776 203 P CB 0.475 31.986 31.700 -0.316 0.000 0.876 204 E N 2.422 122.522 120.200 -0.168 0.000 2.398 204 E HA 0.144 4.493 4.350 -0.001 0.000 0.263 204 E C 0.180 176.762 176.600 -0.030 0.000 1.046 204 E CA 0.281 56.633 56.400 -0.082 0.000 0.908 204 E CB 0.658 30.314 29.700 -0.073 0.000 0.963 204 E HN 0.374 nan 8.360 nan 0.000 0.431 205 R N 2.132 122.640 120.500 0.014 0.000 2.750 205 R HA 0.420 4.759 4.340 -0.001 0.000 0.281 205 R C -2.378 173.949 176.300 0.046 0.000 0.972 205 R CA -1.896 54.241 56.100 0.061 0.000 0.912 205 R CB 1.497 31.835 30.300 0.064 0.000 1.187 205 R HN 0.263 nan 8.270 nan 0.000 0.464 206 P HA 0.062 nan 4.420 nan 0.000 0.272 206 P C -1.242 176.159 177.300 0.169 0.000 1.223 206 P CA -0.113 63.042 63.100 0.093 0.000 0.784 206 P CB 0.484 32.218 31.700 0.057 0.000 0.923 207 F N 3.670 123.619 119.950 -0.002 0.000 2.402 207 F HA 0.503 5.031 4.527 0.001 0.000 0.355 207 F C -1.028 174.768 175.800 -0.007 0.000 1.123 207 F CA -1.421 56.581 58.000 0.002 0.000 1.021 207 F CB 0.763 39.771 39.000 0.012 0.000 1.160 207 F HN 0.104 nan 8.300 nan 0.000 0.451 208 L N 7.020 128.363 121.223 0.201 0.000 2.322 208 L HA 0.801 5.141 4.340 -0.001 0.000 0.281 208 L C -1.146 175.644 176.870 -0.133 0.000 1.014 208 L CA -0.309 54.494 54.840 -0.061 0.000 0.815 208 L CB 1.464 43.511 42.059 -0.021 0.000 1.247 208 L HN 0.613 nan 8.230 nan 0.000 0.421 209 A N 6.186 128.839 122.820 -0.278 0.000 2.304 209 A HA 0.752 5.071 4.320 -0.001 0.000 0.323 209 A C -0.669 176.817 177.584 -0.163 0.000 1.195 209 A CA -0.517 51.411 52.037 -0.182 0.000 0.826 209 A CB 0.432 19.284 19.000 -0.246 0.000 1.184 209 A HN 0.713 nan 8.150 nan 0.000 0.496 210 I N 3.370 123.870 120.570 -0.116 0.000 2.328 210 I HA 0.289 4.458 4.170 -0.001 0.000 0.287 210 I C -0.858 175.228 176.117 -0.050 0.000 1.012 210 I CA -0.083 61.062 61.300 -0.258 0.000 1.195 210 I CB 0.943 38.574 38.000 -0.615 0.000 1.350 210 I HN 0.445 nan 8.210 nan 0.000 0.464 211 L N 6.345 127.511 121.223 -0.096 0.000 2.319 211 L HA 0.682 5.021 4.340 -0.001 0.000 0.281 211 L C 0.385 177.248 176.870 -0.011 0.000 1.005 211 L CA -0.479 54.358 54.840 -0.006 0.000 0.828 211 L CB 1.686 43.715 42.059 -0.050 0.000 1.227 211 L HN 0.646 nan 8.230 nan 0.000 0.415 212 G N 1.286 110.139 108.800 0.088 0.000 2.453 212 G HA2 0.822 4.782 3.960 -0.001 0.000 0.323 212 G HA3 0.822 4.782 3.960 -0.001 0.000 0.323 212 G C -0.686 174.261 174.900 0.078 0.000 1.198 212 G CA -0.646 44.508 45.100 0.089 0.000 0.959 212 G HN 0.789 nan 8.290 nan 0.000 0.482 213 G N -1.401 107.445 108.800 0.078 0.000 2.411 213 G HA2 0.626 4.585 3.960 -0.001 0.000 0.295 213 G HA3 0.626 4.585 3.960 -0.001 0.000 0.295 213 G C 0.277 175.228 174.900 0.085 0.000 1.542 213 G CA 0.332 45.477 45.100 0.075 0.000 0.814 213 G HN 1.215 nan 8.290 nan 0.000 0.557 214 A N 0.383 123.247 122.820 0.072 0.000 1.835 214 A HA 0.339 4.658 4.320 -0.001 0.000 0.213 214 A C 1.189 178.806 177.584 0.056 0.000 1.210 214 A CA 1.060 53.135 52.037 0.064 0.000 0.605 214 A CB -0.207 18.804 19.000 0.019 0.000 0.860 214 A HN 0.483 nan 8.150 nan 0.000 0.447 215 K N 0.363 120.782 120.400 0.032 0.000 2.264 215 K HA 0.359 4.678 4.320 -0.001 0.000 0.277 215 K C 0.625 177.240 176.600 0.025 0.000 1.067 215 K CA -0.229 56.068 56.287 0.016 0.000 0.900 215 K CB 1.885 34.382 32.500 -0.005 0.000 1.124 215 K HN 0.106 nan 8.250 nan 0.000 0.469 216 V N 3.623 123.555 119.914 0.030 0.000 2.324 216 V HA -0.328 3.792 4.120 -0.001 0.000 0.250 216 V C 2.058 178.163 176.094 0.019 0.000 1.060 216 V CA 2.693 65.024 62.300 0.051 0.000 1.042 216 V CB -0.326 31.520 31.823 0.040 0.000 0.650 216 V HN 0.954 nan 8.190 nan 0.000 0.450 217 A N -0.319 122.487 122.820 -0.023 0.000 1.958 217 A HA -0.302 4.018 4.320 -0.001 0.000 0.221 217 A C 1.862 179.443 177.584 -0.005 0.000 1.178 217 A CA 2.309 54.330 52.037 -0.027 0.000 0.642 217 A CB -0.845 18.130 19.000 -0.041 0.000 0.816 217 A HN 0.661 nan 8.150 nan 0.000 0.453 218 D N -0.645 119.757 120.400 0.004 0.000 2.310 218 D HA -0.041 4.599 4.640 -0.001 0.000 0.212 218 D C 1.334 177.644 176.300 0.016 0.000 0.965 218 D CA 0.900 54.906 54.000 0.009 0.000 0.879 218 D CB 0.045 40.852 40.800 0.011 0.000 0.921 218 D HN 0.356 nan 8.370 nan 0.000 0.510 219 K N -0.015 120.403 120.400 0.029 0.000 2.374 219 K HA 0.175 4.495 4.320 -0.001 0.000 0.202 219 K C 1.623 178.252 176.600 0.048 0.000 1.040 219 K CA -0.241 56.068 56.287 0.037 0.000 1.085 219 K CB 1.000 33.528 32.500 0.048 0.000 0.873 219 K HN 0.100 nan 8.250 nan 0.000 0.539 220 I N 1.344 121.941 120.570 0.044 0.000 2.208 220 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 220 I C 2.343 178.482 176.117 0.037 0.000 1.097 220 I CA 1.679 63.009 61.300 0.050 0.000 1.363 220 I CB -0.636 37.375 38.000 0.019 0.000 1.051 220 I HN 0.195 nan 8.210 nan 0.000 0.413 221 Q N 1.174 120.986 119.800 0.021 0.000 2.245 221 Q HA -0.134 4.206 4.340 -0.001 0.000 0.201 221 Q C 1.994 178.002 176.000 0.013 0.000 0.955 221 Q CA 1.120 56.932 55.803 0.015 0.000 0.870 221 Q CB -0.458 28.285 28.738 0.008 0.000 0.945 221 Q HN 0.448 nan 8.270 nan 0.000 0.461 222 L N -0.288 120.942 121.223 0.012 0.000 2.027 222 L HA -0.025 4.314 4.340 -0.001 0.000 0.206 222 L C 1.966 178.840 176.870 0.006 0.000 1.074 222 L CA 1.677 56.521 54.840 0.007 0.000 0.745 222 L CB -0.472 41.590 42.059 0.006 0.000 0.898 222 L HN 0.320 nan 8.230 nan 0.000 0.433 223 I N -0.043 120.535 120.570 0.013 0.000 2.179 223 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 223 I C 2.364 178.487 176.117 0.009 0.000 1.088 223 I CA 1.400 62.703 61.300 0.004 0.000 1.357 223 I CB -0.667 37.357 38.000 0.039 0.000 1.051 223 I HN 0.410 nan 8.210 nan 0.000 0.409 224 N N 1.297 120.013 118.700 0.027 0.000 2.061 224 N HA -0.257 4.483 4.740 -0.001 0.000 0.193 224 N C 1.648 177.165 175.510 0.012 0.000 1.030 224 N CA 1.940 55.004 53.050 0.024 0.000 0.856 224 N CB -0.438 38.064 38.487 0.025 0.000 1.023 224 N HN 0.275 nan 8.380 nan 0.000 0.424 225 N N -0.543 118.163 118.700 0.010 0.000 2.142 225 N HA 0.009 4.749 4.740 -0.001 0.000 0.186 225 N C 1.634 177.149 175.510 0.008 0.000 1.023 225 N CA 1.005 54.063 53.050 0.013 0.000 0.852 225 N CB -0.056 38.441 38.487 0.017 0.000 0.998 225 N HN 0.174 nan 8.380 nan 0.000 0.424 226 M N 0.094 119.688 119.600 -0.010 0.000 2.229 226 M HA -0.037 4.442 4.480 -0.001 0.000 0.264 226 M C 1.820 178.072 176.300 -0.081 0.000 1.063 226 M CA 0.806 56.078 55.300 -0.046 0.000 1.114 226 M CB -1.011 31.541 32.600 -0.079 0.000 1.387 226 M HN 0.233 nan 8.290 nan 0.000 0.420 227 L N 0.088 121.277 121.223 -0.057 0.000 2.270 227 L HA -0.263 4.077 4.340 -0.001 0.000 0.217 227 L C 1.825 178.677 176.870 -0.030 0.000 1.107 227 L CA 0.941 55.751 54.840 -0.049 0.000 0.772 227 L CB -0.651 41.396 42.059 -0.021 0.000 0.902 227 L HN 0.324 nan 8.230 nan 0.000 0.439 228 D N -0.435 119.959 120.400 -0.010 0.000 2.289 228 D HA -0.071 4.569 4.640 -0.001 0.000 0.207 228 D C 1.851 178.168 176.300 0.028 0.000 0.966 228 D CA 0.771 54.778 54.000 0.012 0.000 0.868 228 D CB 0.341 41.156 40.800 0.025 0.000 0.943 228 D HN 0.382 nan 8.370 nan 0.000 0.514 229 K N 0.386 120.800 120.400 0.023 0.000 2.365 229 K HA 0.114 4.433 4.320 -0.001 0.000 0.195 229 K C 1.122 177.765 176.600 0.072 0.000 1.079 229 K CA 0.149 56.501 56.287 0.109 0.000 0.979 229 K CB 0.759 33.406 32.500 0.245 0.000 0.929 229 K HN 0.062 nan 8.250 nan 0.000 0.523 230 V N -0.196 119.614 119.914 -0.173 0.000 2.973 230 V HA 0.316 4.436 4.120 -0.001 0.000 0.314 230 V C 0.433 176.454 176.094 -0.122 0.000 1.066 230 V CA -0.633 61.455 62.300 -0.354 0.000 1.021 230 V CB 1.274 32.716 31.823 -0.635 0.000 1.076 230 V HN -0.009 nan 8.190 nan 0.000 0.462 231 N N 0.068 118.719 118.700 -0.081 0.000 2.415 231 N HA 0.217 4.957 4.740 -0.001 0.000 0.174 231 N C -0.081 175.391 175.510 -0.063 0.000 1.048 231 N CA 0.375 53.408 53.050 -0.030 0.000 0.895 231 N CB 0.310 38.812 38.487 0.025 0.000 1.036 231 N HN 0.830 nan 8.380 nan 0.000 0.449 232 E N 0.088 120.221 120.200 -0.111 0.000 2.352 232 E HA 0.304 4.654 4.350 -0.001 0.000 0.280 232 E C -1.536 174.962 176.600 -0.170 0.000 0.930 232 E CA -0.486 55.847 56.400 -0.111 0.000 0.765 232 E CB 2.748 32.401 29.700 -0.078 0.000 1.219 232 E HN -0.037 nan 8.360 nan 0.000 0.434 233 M N 3.828 123.332 119.600 -0.160 0.000 2.204 233 M HA 0.454 4.933 4.480 -0.001 0.000 0.293 233 M C -1.780 174.402 176.300 -0.197 0.000 0.994 233 M CA -0.550 54.635 55.300 -0.192 0.000 0.925 233 M CB 1.126 33.614 32.600 -0.188 0.000 1.577 233 M HN 0.524 nan 8.290 nan 0.000 0.439 234 I N 5.839 126.260 120.570 -0.250 0.000 2.371 234 I HA 0.267 4.436 4.170 -0.001 0.000 0.290 234 I C -0.588 175.345 176.117 -0.306 0.000 1.028 234 I CA -0.141 60.971 61.300 -0.314 0.000 1.345 234 I CB 0.892 38.557 38.000 -0.558 0.000 1.407 234 I HN 0.640 nan 8.210 nan 0.000 0.501 235 I N 6.455 126.858 120.570 -0.279 0.000 2.330 235 I HA 0.450 4.619 4.170 -0.001 0.000 0.286 235 I C 0.561 176.562 176.117 -0.193 0.000 1.025 235 I CA -0.086 61.037 61.300 -0.296 0.000 1.197 235 I CB 1.165 38.848 38.000 -0.529 0.000 1.358 235 I HN 0.635 nan 8.210 nan 0.000 0.467 236 G N 3.191 111.904 108.800 -0.144 0.000 3.042 236 G HA2 0.788 4.748 3.960 -0.001 0.000 0.278 236 G HA3 0.788 4.748 3.960 -0.001 0.000 0.278 236 G C -0.191 174.722 174.900 0.021 0.000 1.371 236 G CA -0.401 44.678 45.100 -0.036 0.000 1.009 236 G HN 0.911 nan 8.290 nan 0.000 0.523 237 G N -1.477 107.377 108.800 0.090 0.000 2.741 237 G HA2 0.276 4.236 3.960 -0.001 0.000 0.222 237 G HA3 0.276 4.236 3.960 -0.001 0.000 0.222 237 G C 1.238 176.197 174.900 0.098 0.000 1.364 237 G CA 0.380 45.557 45.100 0.129 0.000 0.866 237 G HN 1.848 nan 8.290 nan 0.000 0.555 238 G N -0.115 108.796 108.800 0.186 0.000 2.448 238 G HA2 0.063 4.023 3.960 -0.001 0.000 0.219 238 G HA3 0.063 4.023 3.960 -0.001 0.000 0.219 238 G C 1.970 177.033 174.900 0.273 0.000 1.127 238 G CA 2.226 47.522 45.100 0.327 0.000 0.766 238 G HN 1.587 nan 8.290 nan 0.000 0.552 239 M N 0.332 120.028 119.600 0.160 0.000 2.202 239 M HA 0.150 4.629 4.480 -0.001 0.000 0.262 239 M C 2.505 178.935 176.300 0.218 0.000 1.063 239 M CA 1.772 57.176 55.300 0.174 0.000 1.097 239 M CB -0.427 32.260 32.600 0.145 0.000 1.382 239 M HN 0.110 nan 8.290 nan 0.000 0.413 240 A N 0.616 123.469 122.820 0.055 0.000 2.024 240 A HA -0.091 4.228 4.320 -0.001 0.000 0.220 240 A C 1.802 179.431 177.584 0.075 0.000 1.164 240 A CA 1.442 53.495 52.037 0.027 0.000 0.643 240 A CB -1.347 17.573 19.000 -0.135 0.000 0.806 240 A HN 0.662 nan 8.150 nan 0.000 0.451 241 F N 0.230 120.312 119.950 0.220 0.000 2.269 241 F HA -0.151 4.376 4.527 -0.000 0.000 0.301 241 F C 2.667 178.627 175.800 0.266 0.000 1.082 241 F CA 1.568 59.667 58.000 0.166 0.000 1.360 241 F CB -0.567 38.480 39.000 0.079 0.000 1.041 241 F HN 0.143 nan 8.300 nan 0.000 0.512 242 T N -0.108 114.702 114.554 0.427 0.000 2.737 242 T HA -0.149 4.200 4.350 -0.001 0.000 0.265 242 T C 1.681 176.475 174.700 0.157 0.000 1.038 242 T CA 1.272 63.544 62.100 0.287 0.000 1.144 242 T CB -0.536 68.296 68.868 -0.061 0.000 0.866 242 T HN 0.085 nan 8.240 nan 0.000 0.434 243 F N 1.061 121.084 119.950 0.121 0.000 2.134 243 F HA 0.032 4.559 4.527 -0.000 0.000 0.299 243 F C 2.120 177.988 175.800 0.114 0.000 1.097 243 F CA 0.863 58.918 58.000 0.091 0.000 1.264 243 F CB -0.536 38.493 39.000 0.048 0.000 1.001 243 F HN 0.068 nan 8.300 nan 0.000 0.479 244 L N -0.336 121.074 121.223 0.312 0.000 2.056 244 L HA -0.207 4.132 4.340 -0.001 0.000 0.207 244 L C 2.422 179.405 176.870 0.190 0.000 1.078 244 L CA 1.254 56.236 54.840 0.237 0.000 0.749 244 L CB -0.607 41.599 42.059 0.246 0.000 0.901 244 L HN 0.008 nan 8.230 nan 0.000 0.433 245 K N 0.208 120.730 120.400 0.203 0.000 2.044 245 K HA -0.171 4.149 4.320 -0.001 0.000 0.210 245 K C 1.844 178.505 176.600 0.103 0.000 1.049 245 K CA 1.749 58.104 56.287 0.113 0.000 0.927 245 K CB -0.398 32.157 32.500 0.092 0.000 0.713 245 K HN 0.049 nan 8.250 nan 0.000 0.443 246 V N 0.578 120.575 119.914 0.138 0.000 2.307 246 V HA -0.184 3.936 4.120 -0.001 0.000 0.245 246 V C 2.216 178.354 176.094 0.073 0.000 1.045 246 V CA 1.832 64.184 62.300 0.086 0.000 1.024 246 V CB -0.364 31.479 31.823 0.033 0.000 0.651 246 V HN 0.276 nan 8.190 nan 0.000 0.449 247 L N -0.303 120.979 121.223 0.099 0.000 2.307 247 L HA 0.108 4.447 4.340 -0.001 0.000 0.211 247 L C 1.791 178.712 176.870 0.085 0.000 1.099 247 L CA 0.889 55.787 54.840 0.096 0.000 0.816 247 L CB -0.271 41.868 42.059 0.134 0.000 0.952 247 L HN 0.342 nan 8.230 nan 0.000 0.455 248 N N -0.152 118.604 118.700 0.094 0.000 2.181 248 N HA 0.052 4.791 4.740 -0.001 0.000 0.207 248 N C -0.249 175.300 175.510 0.064 0.000 1.182 248 N CA 0.039 53.138 53.050 0.082 0.000 0.893 248 N CB 0.493 39.043 38.487 0.105 0.000 1.032 248 N HN 0.155 nan 8.380 nan 0.000 0.513 249 N N 1.086 119.820 118.700 0.056 0.000 2.716 249 N HA -0.203 4.536 4.740 -0.001 0.000 0.250 249 N C -0.180 175.349 175.510 0.031 0.000 1.033 249 N CA 0.254 53.322 53.050 0.030 0.000 0.727 249 N CB -1.022 37.476 38.487 0.018 0.000 0.950 249 N HN 0.411 nan 8.380 nan 0.000 0.541 250 M N 0.914 120.548 119.600 0.057 0.000 2.249 250 M HA 0.015 4.495 4.480 -0.001 0.000 0.340 250 M C 0.092 176.396 176.300 0.007 0.000 1.166 250 M CA 0.541 55.878 55.300 0.062 0.000 1.115 250 M CB 0.465 33.140 32.600 0.126 0.000 1.606 250 M HN 0.098 nan 8.290 nan 0.000 0.448 251 E N 5.232 125.427 120.200 -0.008 0.000 2.259 251 E HA 0.197 4.546 4.350 -0.001 0.000 0.281 251 E C 0.275 176.828 176.600 -0.078 0.000 1.027 251 E CA -0.170 56.198 56.400 -0.053 0.000 0.838 251 E CB 0.768 30.442 29.700 -0.043 0.000 1.066 251 E HN 0.741 nan 8.360 nan 0.000 0.401 252 I N -0.412 120.073 120.570 -0.141 0.000 4.147 252 I HA 0.355 4.524 4.170 -0.001 0.000 0.329 252 I C 0.990 176.941 176.117 -0.277 0.000 1.424 252 I CA -0.355 60.795 61.300 -0.251 0.000 1.127 252 I CB 0.256 38.120 38.000 -0.228 0.000 1.128 252 I HN 0.694 nan 8.210 nan 0.000 0.417 253 G N 2.964 111.671 108.800 -0.155 0.000 2.661 253 G HA2 -0.465 3.495 3.960 -0.001 0.000 0.327 253 G HA3 -0.465 3.495 3.960 -0.001 0.000 0.327 253 G C 0.872 175.698 174.900 -0.122 0.000 1.320 253 G CA 1.629 46.672 45.100 -0.094 0.000 0.997 253 G HN 0.703 nan 8.290 nan 0.000 0.543 254 T N -1.382 113.115 114.554 -0.096 0.000 3.219 254 T HA 0.495 4.844 4.350 -0.001 0.000 0.249 254 T C 1.093 175.704 174.700 -0.148 0.000 1.099 254 T CA 1.004 63.045 62.100 -0.097 0.000 0.988 254 T CB -0.231 68.599 68.868 -0.063 0.000 0.999 254 T HN 0.818 nan 8.240 nan 0.000 0.550 255 S N 1.828 117.362 115.700 -0.276 0.000 2.566 255 S HA 0.257 4.727 4.470 -0.001 0.000 0.280 255 S C 0.556 175.057 174.600 -0.166 0.000 1.343 255 S CA -0.651 57.306 58.200 -0.404 0.000 1.036 255 S CB 0.196 62.711 63.200 -1.141 0.000 0.866 255 S HN 0.471 nan 8.310 nan 0.000 0.526 256 L N 2.657 123.848 121.223 -0.054 0.000 2.578 256 L HA 0.147 4.486 4.340 -0.001 0.000 0.279 256 L C -0.255 176.745 176.870 0.218 0.000 1.227 256 L CA 0.549 55.428 54.840 0.066 0.000 0.900 256 L CB -0.402 41.703 42.059 0.077 0.000 1.144 256 L HN 0.608 nan 8.230 nan 0.000 0.496 257 F N 3.074 123.024 119.950 0.000 0.000 2.608 257 F HA 0.362 4.888 4.527 -0.001 0.000 0.309 257 F C -1.008 174.793 175.800 0.002 0.000 1.103 257 F CA -1.001 57.011 58.000 0.021 0.000 0.954 257 F CB 1.895 40.896 39.000 0.002 0.000 1.267 257 F HN 0.365 nan 8.300 nan 0.000 0.444 258 D N 3.816 123.704 120.400 -0.854 0.000 2.471 258 D HA 0.166 4.805 4.640 -0.001 0.000 0.245 258 D C 0.624 176.364 176.300 -0.933 0.000 1.116 258 D CA -0.235 53.385 54.000 -0.635 0.000 0.853 258 D CB 1.201 41.799 40.800 -0.336 0.000 1.123 258 D HN 0.701 nan 8.370 nan 0.000 0.540 259 E N 3.354 123.229 120.200 -0.542 0.000 2.153 259 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 259 E C 0.516 176.991 176.600 -0.209 0.000 0.988 259 E CA 1.075 57.320 56.400 -0.259 0.000 0.811 259 E CB 0.274 29.999 29.700 0.041 0.000 0.746 259 E HN 0.502 nan 8.360 nan 0.000 0.466 260 E N 0.312 120.396 120.200 -0.193 0.000 2.076 260 E HA -0.050 4.299 4.350 -0.001 0.000 0.190 260 E C 2.125 178.625 176.600 -0.167 0.000 0.979 260 E CA 1.043 57.362 56.400 -0.135 0.000 0.807 260 E CB -0.459 29.185 29.700 -0.094 0.000 0.761 260 E HN 0.464 nan 8.360 nan 0.000 0.454 261 G N 1.294 109.958 108.800 -0.226 0.000 2.443 261 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.219 261 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.219 261 G C 1.724 176.448 174.900 -0.293 0.000 1.131 261 G CA 0.946 45.909 45.100 -0.228 0.000 0.775 261 G HN 0.346 nan 8.290 nan 0.000 0.547 262 A N 0.944 123.549 122.820 -0.358 0.000 1.986 262 A HA -0.071 4.249 4.320 -0.001 0.000 0.220 262 A C 2.220 179.709 177.584 -0.160 0.000 1.171 262 A CA 1.879 53.756 52.037 -0.266 0.000 0.640 262 A CB -0.316 18.586 19.000 -0.163 0.000 0.811 262 A HN 0.397 nan 8.150 nan 0.000 0.451 263 K N -0.858 119.465 120.400 -0.129 0.000 2.439 263 K HA 0.168 4.487 4.320 -0.001 0.000 0.197 263 K C 1.077 177.627 176.600 -0.084 0.000 1.041 263 K CA 0.745 56.984 56.287 -0.080 0.000 0.970 263 K CB -0.071 32.394 32.500 -0.059 0.000 0.773 263 K HN 0.591 nan 8.250 nan 0.000 0.479 264 I N -0.495 120.002 120.570 -0.122 0.000 3.854 264 I HA -0.102 4.067 4.170 -0.001 0.000 0.312 264 I C 1.684 177.730 176.117 -0.118 0.000 1.273 264 I CA 0.092 61.332 61.300 -0.100 0.000 1.298 264 I CB 0.325 38.272 38.000 -0.089 0.000 1.071 264 I HN -0.167 nan 8.210 nan 0.000 0.428 265 V N 1.813 121.592 119.914 -0.225 0.000 2.278 265 V HA -0.389 3.730 4.120 -0.001 0.000 0.251 265 V C 2.612 178.669 176.094 -0.062 0.000 1.062 265 V CA 2.296 64.438 62.300 -0.264 0.000 1.038 265 V CB -0.739 30.825 31.823 -0.432 0.000 0.646 265 V HN 0.466 nan 8.190 nan 0.000 0.447 266 K N -0.216 120.157 120.400 -0.044 0.000 2.026 266 K HA -0.243 4.077 4.320 -0.001 0.000 0.208 266 K C 1.856 178.463 176.600 0.013 0.000 1.048 266 K CA 2.081 58.366 56.287 -0.003 0.000 0.929 266 K CB -0.268 32.229 32.500 -0.006 0.000 0.713 266 K HN 0.478 nan 8.250 nan 0.000 0.439 267 D N 0.966 121.368 120.400 0.003 0.000 2.104 267 D HA -0.177 4.462 4.640 -0.001 0.000 0.194 267 D C 1.968 178.288 176.300 0.034 0.000 0.994 267 D CA 1.168 55.176 54.000 0.014 0.000 0.830 267 D CB -0.256 40.547 40.800 0.004 0.000 0.959 267 D HN 0.213 nan 8.370 nan 0.000 0.452 268 L N -0.176 121.079 121.223 0.054 0.000 2.042 268 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 268 L C 2.400 179.331 176.870 0.102 0.000 1.076 268 L CA 0.814 55.714 54.840 0.100 0.000 0.749 268 L CB -0.389 41.787 42.059 0.195 0.000 0.893 268 L HN 0.081 nan 8.230 nan 0.000 0.432 269 M N -0.892 118.775 119.600 0.112 0.000 2.132 269 M HA -0.149 4.330 4.480 -0.001 0.000 0.263 269 M C 2.616 178.948 176.300 0.054 0.000 1.065 269 M CA 1.432 56.789 55.300 0.094 0.000 1.122 269 M CB -1.348 31.317 32.600 0.108 0.000 1.365 269 M HN 0.186 nan 8.290 nan 0.000 0.411 270 S N 0.332 116.057 115.700 0.043 0.000 2.359 270 S HA -0.209 4.261 4.470 -0.001 0.000 0.224 270 S C 2.049 176.664 174.600 0.025 0.000 1.035 270 S CA 1.792 60.009 58.200 0.029 0.000 1.018 270 S CB -0.122 63.092 63.200 0.023 0.000 0.876 270 S HN 0.469 nan 8.310 nan 0.000 0.448 271 K N 0.429 120.846 120.400 0.028 0.000 2.057 271 K HA -0.026 4.294 4.320 -0.001 0.000 0.207 271 K C 2.177 178.786 176.600 0.015 0.000 1.049 271 K CA 1.181 57.480 56.287 0.021 0.000 0.931 271 K CB -0.501 32.012 32.500 0.022 0.000 0.714 271 K HN 0.377 nan 8.250 nan 0.000 0.440 272 A N 1.522 124.353 122.820 0.019 0.000 1.908 272 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 272 A C 2.106 179.693 177.584 0.005 0.000 1.181 272 A CA 1.792 53.832 52.037 0.006 0.000 0.627 272 A CB -0.575 18.429 19.000 0.007 0.000 0.818 272 A HN 0.530 nan 8.150 nan 0.000 0.445 273 E N 0.221 120.429 120.200 0.014 0.000 2.072 273 E HA -0.163 4.187 4.350 -0.001 0.000 0.190 273 E C 1.787 178.393 176.600 0.010 0.000 0.982 273 E CA 1.108 57.515 56.400 0.012 0.000 0.803 273 E CB -0.203 29.508 29.700 0.017 0.000 0.755 273 E HN 0.578 nan 8.360 nan 0.000 0.453 274 K N 0.334 120.740 120.400 0.011 0.000 2.211 274 K HA -0.099 4.221 4.320 -0.001 0.000 0.204 274 K C 1.400 178.005 176.600 0.008 0.000 1.047 274 K CA 0.968 57.261 56.287 0.010 0.000 0.935 274 K CB -0.084 32.423 32.500 0.011 0.000 0.728 274 K HN 0.104 nan 8.250 nan 0.000 0.452 275 N N -0.165 118.539 118.700 0.006 0.000 2.336 275 N HA 0.016 4.755 4.740 -0.001 0.000 0.189 275 N C 0.616 176.126 175.510 0.001 0.000 1.113 275 N CA 0.688 53.741 53.050 0.004 0.000 0.858 275 N CB 0.942 39.430 38.487 0.001 0.000 0.970 275 N HN 0.296 nan 8.380 nan 0.000 0.471 276 G N 0.609 109.410 108.800 0.001 0.000 2.273 276 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.280 276 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.280 276 G C -0.217 174.678 174.900 -0.009 0.000 1.047 276 G CA 0.163 45.262 45.100 -0.001 0.000 0.869 276 G HN 0.182 nan 8.290 nan 0.000 0.502 277 V N 1.138 121.042 119.914 -0.017 0.000 2.383 277 V HA 0.355 4.475 4.120 -0.001 0.000 0.275 277 V C 0.867 176.942 176.094 -0.032 0.000 1.036 277 V CA -0.950 61.329 62.300 -0.035 0.000 0.889 277 V CB 1.719 33.511 31.823 -0.052 0.000 0.985 277 V HN 0.343 nan 8.190 nan 0.000 0.459 278 K N 5.631 126.010 120.400 -0.035 0.000 2.349 278 K HA 0.257 4.577 4.320 -0.001 0.000 0.289 278 K C -0.728 175.842 176.600 -0.051 0.000 1.064 278 K CA -0.443 55.825 56.287 -0.032 0.000 0.947 278 K CB 0.564 33.049 32.500 -0.026 0.000 1.007 278 K HN 0.424 nan 8.250 nan 0.000 0.478 279 I N 4.096 124.639 120.570 -0.045 0.000 2.325 279 I HA 0.109 4.278 4.170 -0.001 0.000 0.291 279 I C 0.333 176.418 176.117 -0.054 0.000 1.019 279 I CA -0.267 60.990 61.300 -0.072 0.000 1.302 279 I CB 1.151 39.109 38.000 -0.069 0.000 1.401 279 I HN 0.429 nan 8.210 nan 0.000 0.485 280 T N 7.854 122.370 114.554 -0.063 0.000 2.758 280 T HA 0.622 4.972 4.350 -0.001 0.000 0.285 280 T C 0.176 174.885 174.700 0.015 0.000 0.981 280 T CA -0.347 61.750 62.100 -0.006 0.000 0.965 280 T CB 1.055 69.942 68.868 0.031 0.000 0.927 280 T HN 0.262 nan 8.240 nan 0.000 0.448 281 L N 5.013 126.255 121.223 0.032 0.000 2.313 281 L HA 0.589 4.928 4.340 -0.001 0.000 0.268 281 L C -1.892 175.014 176.870 0.061 0.000 1.010 281 L CA -2.605 52.262 54.840 0.044 0.000 0.814 281 L CB 1.516 43.591 42.059 0.028 0.000 1.304 281 L HN 0.366 nan 8.230 nan 0.000 0.441 282 P HA 0.045 nan 4.420 nan 0.000 0.272 282 P C 0.105 177.279 177.300 -0.209 0.000 1.230 282 P CA -0.174 62.820 63.100 -0.177 0.000 0.788 282 P CB 1.101 32.709 31.700 -0.155 0.000 0.949 283 V N -3.075 116.603 119.914 -0.393 0.000 3.556 283 V HA 0.271 4.390 4.120 -0.001 0.000 0.287 283 V C -0.005 175.823 176.094 -0.443 0.000 1.422 283 V CA 0.171 62.305 62.300 -0.276 0.000 1.038 283 V CB -0.260 31.454 31.823 -0.182 0.000 0.850 283 V HN 0.581 nan 8.190 nan 0.000 0.437 284 D N -0.505 119.344 120.400 -0.918 0.000 2.665 284 D HA 0.582 5.221 4.640 -0.001 0.000 0.287 284 D C -1.267 174.250 176.300 -1.305 0.000 1.266 284 D CA -0.646 52.842 54.000 -0.853 0.000 0.830 284 D CB 1.508 42.121 40.800 -0.312 0.000 1.356 284 D HN 0.039 nan 8.370 nan 0.000 0.437 285 F N -0.989 119.025 119.950 0.107 0.000 2.619 285 F HA 0.451 4.978 4.527 -0.001 0.000 0.308 285 F C -0.440 175.473 175.800 0.188 0.000 1.097 285 F CA -1.200 56.910 58.000 0.185 0.000 0.953 285 F CB 2.443 41.608 39.000 0.274 0.000 1.287 285 F HN 0.099 nan 8.300 nan 0.000 0.446 286 V N 1.971 122.140 119.914 0.425 0.000 2.368 286 V HA 0.373 4.492 4.120 -0.001 0.000 0.266 286 V C 0.205 176.600 176.094 0.501 0.000 1.045 286 V CA -0.552 62.010 62.300 0.436 0.000 0.899 286 V CB 0.738 32.846 31.823 0.475 0.000 1.006 286 V HN 0.868 nan 8.190 nan 0.000 0.470 287 T N 2.484 117.307 114.554 0.448 0.000 2.881 287 T HA 0.865 5.214 4.350 -0.001 0.000 0.278 287 T C -0.186 174.858 174.700 0.573 0.000 0.982 287 T CA -0.366 61.998 62.100 0.440 0.000 0.989 287 T CB 2.051 71.152 68.868 0.388 0.000 1.058 287 T HN 1.022 nan 8.240 nan 0.000 0.529 288 A N 1.075 124.171 122.820 0.461 0.000 2.486 288 A HA 0.589 4.908 4.320 -0.001 0.000 0.300 288 A C 0.422 177.928 177.584 -0.129 0.000 1.048 288 A CA -0.621 51.581 52.037 0.274 0.000 0.696 288 A CB 1.447 20.497 19.000 0.084 0.000 1.278 288 A HN 0.885 nan 8.150 nan 0.000 0.405 289 D N 0.958 120.999 120.400 -0.599 0.000 2.349 289 D HA 0.067 4.707 4.640 -0.001 0.000 0.224 289 D C 0.287 176.276 176.300 -0.518 0.000 1.029 289 D CA 0.701 54.006 54.000 -1.158 0.000 0.879 289 D CB -0.053 39.856 40.800 -1.485 0.000 0.906 289 D HN 0.680 nan 8.370 nan 0.000 0.528 290 K N -1.892 118.363 120.400 -0.243 0.000 2.658 290 K HA 0.256 4.575 4.320 -0.001 0.000 0.293 290 K C -1.453 175.179 176.600 0.054 0.000 1.026 290 K CA -1.011 55.225 56.287 -0.086 0.000 0.871 290 K CB 0.118 32.564 32.500 -0.090 0.000 1.524 290 K HN -0.133 nan 8.250 nan 0.000 0.400 291 F N 2.569 122.512 119.950 -0.012 0.000 2.600 291 F HA 0.191 4.717 4.527 -0.001 0.000 0.345 291 F C -0.603 175.285 175.800 0.148 0.000 1.271 291 F CA 0.764 58.837 58.000 0.121 0.000 1.138 291 F CB 0.138 39.215 39.000 0.128 0.000 1.449 291 F HN 0.512 nan 8.300 nan 0.000 0.645 292 D N 3.921 124.113 120.400 -0.348 0.000 2.787 292 D HA -0.041 4.599 4.640 -0.001 0.000 0.215 292 D C 0.297 175.965 176.300 -1.053 0.000 1.246 292 D CA -0.310 53.240 54.000 -0.751 0.000 0.798 292 D CB 1.521 42.118 40.800 -0.338 0.000 1.649 292 D HN 0.567 nan 8.370 nan 0.000 0.507 293 E N 1.919 121.061 120.200 -1.765 0.000 2.219 293 E HA -0.163 4.187 4.350 -0.001 0.000 0.198 293 E C 0.329 176.636 176.600 -0.488 0.000 0.998 293 E CA 1.152 56.734 56.400 -1.363 0.000 0.818 293 E CB 0.210 29.040 29.700 -1.450 0.000 0.741 293 E HN 0.272 nan 8.360 nan 0.000 0.477 294 N N 0.147 118.620 118.700 -0.379 0.000 2.328 294 N HA 0.170 4.909 4.740 -0.001 0.000 0.247 294 N C -0.769 174.672 175.510 -0.115 0.000 1.165 294 N CA 0.206 53.136 53.050 -0.200 0.000 0.873 294 N CB 1.155 39.532 38.487 -0.183 0.000 1.125 294 N HN 0.076 nan 8.380 nan 0.000 0.513 295 A N 1.102 123.886 122.820 -0.059 0.000 2.466 295 A HA 0.127 4.447 4.320 -0.001 0.000 0.238 295 A C 0.473 178.091 177.584 0.056 0.000 1.074 295 A CA 0.000 52.035 52.037 -0.003 0.000 0.774 295 A CB 0.419 19.461 19.000 0.071 0.000 1.015 295 A HN 0.166 nan 8.150 nan 0.000 0.498 296 K N 1.419 121.835 120.400 0.027 0.000 2.416 296 K HA 0.236 4.555 4.320 -0.001 0.000 0.283 296 K C 0.649 177.427 176.600 0.297 0.000 1.037 296 K CA 0.512 56.877 56.287 0.130 0.000 0.995 296 K CB 0.272 32.863 32.500 0.152 0.000 0.938 296 K HN 0.826 nan 8.250 nan 0.000 0.475 297 T N -0.416 114.341 114.554 0.338 0.000 2.918 297 T HA 0.625 4.975 4.350 -0.001 0.000 0.283 297 T C 0.524 175.501 174.700 0.461 0.000 1.001 297 T CA -0.755 61.622 62.100 0.462 0.000 1.041 297 T CB 1.721 70.764 68.868 0.292 0.000 1.028 297 T HN 0.584 nan 8.240 nan 0.000 0.511 298 G N 0.666 109.705 108.800 0.398 0.000 3.022 298 G HA2 0.626 4.585 3.960 -0.001 0.000 0.284 298 G HA3 0.626 4.585 3.960 -0.001 0.000 0.284 298 G C -1.514 173.459 174.900 0.121 0.000 1.375 298 G CA -1.140 44.012 45.100 0.088 0.000 0.902 298 G HN 0.977 nan 8.290 nan 0.000 0.538 299 Q N -1.398 118.424 119.800 0.037 0.000 2.413 299 Q HA 0.864 5.204 4.340 -0.001 0.000 0.276 299 Q C -0.731 175.316 176.000 0.077 0.000 1.099 299 Q CA -0.828 55.026 55.803 0.085 0.000 0.814 299 Q CB 2.175 30.946 28.738 0.054 0.000 1.379 299 Q HN 1.411 nan 8.270 nan 0.000 0.436 300 A N 0.615 123.533 122.820 0.163 0.000 2.612 300 A HA 0.860 5.179 4.320 -0.001 0.000 0.293 300 A C -0.852 176.886 177.584 0.256 0.000 1.075 300 A CA -0.194 51.961 52.037 0.197 0.000 0.680 300 A CB 1.440 20.582 19.000 0.237 0.000 1.279 300 A HN 1.185 nan 8.150 nan 0.000 0.411 301 T N -1.672 113.010 114.554 0.213 0.000 2.930 301 T HA 0.555 4.905 4.350 -0.001 0.000 0.290 301 T C 0.978 175.854 174.700 0.293 0.000 1.052 301 T CA -0.018 62.193 62.100 0.184 0.000 1.017 301 T CB 0.984 69.889 68.868 0.063 0.000 1.137 301 T HN 0.859 nan 8.240 nan 0.000 0.511 302 V N 1.324 121.412 119.914 0.291 0.000 2.282 302 V HA -0.176 3.944 4.120 -0.001 0.000 0.249 302 V C 3.107 179.287 176.094 0.145 0.000 1.057 302 V CA 2.637 65.095 62.300 0.262 0.000 1.032 302 V CB -1.530 30.414 31.823 0.202 0.000 0.645 302 V HN 1.083 nan 8.190 nan 0.000 0.447 303 A N 0.454 123.332 122.820 0.096 0.000 1.930 303 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 303 A C 2.505 180.120 177.584 0.052 0.000 1.175 303 A CA 2.191 54.264 52.037 0.059 0.000 0.627 303 A CB -0.621 18.401 19.000 0.037 0.000 0.815 303 A HN 0.704 nan 8.150 nan 0.000 0.443 304 S N -1.491 114.245 115.700 0.061 0.000 2.414 304 S HA 0.395 4.865 4.470 -0.001 0.000 0.227 304 S C 1.214 175.837 174.600 0.039 0.000 1.022 304 S CA 0.926 59.150 58.200 0.039 0.000 0.958 304 S CB -0.861 62.359 63.200 0.033 0.000 0.797 304 S HN 2.116 nan 8.310 nan 0.000 0.493 305 G N 0.591 109.434 108.800 0.072 0.000 2.712 305 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.686 305 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.686 305 G C -0.816 174.099 174.900 0.026 0.000 1.321 305 G CA -0.482 44.643 45.100 0.042 0.000 0.813 305 G HN 0.533 nan 8.290 nan 0.000 0.599 306 I N 2.482 123.041 120.570 -0.017 0.000 2.336 306 I HA 0.334 4.503 4.170 -0.001 0.000 0.292 306 I C -1.780 174.314 176.117 -0.038 0.000 0.991 306 I CA -2.163 59.114 61.300 -0.039 0.000 1.227 306 I CB 2.033 39.969 38.000 -0.106 0.000 1.366 306 I HN 0.285 nan 8.210 nan 0.000 0.466 307 P HA 0.107 nan 4.420 nan 0.000 0.269 307 P C -0.530 176.835 177.300 0.109 0.000 1.215 307 P CA -0.398 62.684 63.100 -0.029 0.000 0.780 307 P CB 0.534 32.127 31.700 -0.178 0.000 0.898 308 A N 1.801 124.680 122.820 0.098 0.000 2.498 308 A HA 0.436 4.756 4.320 -0.001 0.000 0.239 308 A C 1.508 179.210 177.584 0.197 0.000 1.068 308 A CA 0.595 52.692 52.037 0.100 0.000 0.766 308 A CB -1.376 17.654 19.000 0.050 0.000 1.003 308 A HN 0.897 nan 8.150 nan 0.000 0.497 309 G N 0.180 109.045 108.800 0.109 0.000 2.184 309 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.264 309 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.264 309 G C -0.168 174.703 174.900 -0.047 0.000 0.975 309 G CA 0.679 45.802 45.100 0.037 0.000 0.642 309 G HN 0.778 nan 8.290 nan 0.000 0.536 310 W N 0.556 121.833 121.300 -0.039 0.000 2.570 310 W HA 0.797 5.456 4.660 -0.001 0.000 0.337 310 W C 0.633 177.096 176.519 -0.093 0.000 1.067 310 W CA -0.949 56.374 57.345 -0.035 0.000 1.229 310 W CB 0.994 30.446 29.460 -0.014 0.000 1.355 310 W HN 0.267 nan 8.180 nan 0.000 0.555 311 M N 1.643 121.309 119.600 0.111 0.000 2.535 311 M HA 0.827 5.306 4.480 -0.001 0.000 0.314 311 M C 0.109 176.389 176.300 -0.034 0.000 1.153 311 M CA -0.947 54.317 55.300 -0.060 0.000 0.924 311 M CB 1.758 34.309 32.600 -0.081 0.000 1.710 311 M HN 0.489 nan 8.290 nan 0.000 0.451 312 G N 2.268 110.932 108.800 -0.228 0.000 2.370 312 G HA2 0.562 4.522 3.960 -0.001 0.000 0.272 312 G HA3 0.562 4.522 3.960 -0.001 0.000 0.272 312 G C -0.044 174.989 174.900 0.223 0.000 1.208 312 G CA -0.728 44.429 45.100 0.096 0.000 0.856 312 G HN 0.868 nan 8.290 nan 0.000 0.500 313 L N 1.080 122.429 121.223 0.208 0.000 2.966 313 L HA 0.339 4.678 4.340 -0.001 0.000 0.262 313 L C -0.091 176.949 176.870 0.283 0.000 1.165 313 L CA 0.038 54.920 54.840 0.071 0.000 0.978 313 L CB 0.715 42.424 42.059 -0.584 0.000 1.337 313 L HN 0.439 nan 8.230 nan 0.000 0.563 314 D N -0.689 119.972 120.400 0.436 0.000 2.623 314 D HA 0.253 4.893 4.640 -0.001 0.000 0.241 314 D C -0.629 175.921 176.300 0.417 0.000 1.241 314 D CA -0.409 53.853 54.000 0.437 0.000 0.788 314 D CB 1.962 43.053 40.800 0.486 0.000 1.413 314 D HN 0.067 nan 8.370 nan 0.000 0.429 315 C N 0.640 120.107 119.300 0.278 0.000 2.553 315 C HA 1.014 5.474 4.460 -0.001 0.000 0.345 315 C C 1.099 176.097 174.990 0.013 0.000 1.369 315 C CA 0.032 59.089 59.018 0.066 0.000 2.447 315 C CB 0.133 27.829 27.740 -0.073 0.000 2.358 315 C HN 0.514 nan 8.230 nan 0.000 0.676 316 G N -0.338 108.367 108.800 -0.158 0.000 2.887 316 G HA2 0.658 4.617 3.960 -0.001 0.000 0.277 316 G HA3 0.658 4.617 3.960 -0.001 0.000 0.277 316 G C -1.805 173.011 174.900 -0.139 0.000 1.346 316 G CA -0.629 44.414 45.100 -0.094 0.000 1.058 316 G HN 0.531 nan 8.290 nan 0.000 0.535 317 P HA -0.107 nan 4.420 nan 0.000 0.217 317 P C 1.113 178.332 177.300 -0.136 0.000 1.150 317 P CA 1.288 64.334 63.100 -0.090 0.000 0.832 317 P CB 0.432 32.100 31.700 -0.054 0.000 0.787 318 E N 0.284 120.386 120.200 -0.163 0.000 2.107 318 E HA -0.079 4.271 4.350 -0.001 0.000 0.191 318 E C 2.203 178.640 176.600 -0.272 0.000 0.982 318 E CA 1.180 57.473 56.400 -0.178 0.000 0.809 318 E CB -0.777 28.830 29.700 -0.155 0.000 0.756 318 E HN 0.030 nan 8.360 nan 0.000 0.459 319 S N -0.151 115.313 115.700 -0.393 0.000 2.359 319 S HA -0.169 4.301 4.470 -0.001 0.000 0.224 319 S C 2.099 176.223 174.600 -0.794 0.000 1.035 319 S CA 1.303 59.091 58.200 -0.687 0.000 1.018 319 S CB -0.471 62.272 63.200 -0.761 0.000 0.876 319 S HN 0.259 nan 8.310 nan 0.000 0.448 320 S N 1.292 116.722 115.700 -0.450 0.000 2.383 320 S HA -0.110 4.360 4.470 -0.001 0.000 0.229 320 S C 1.833 176.347 174.600 -0.143 0.000 1.030 320 S CA 1.177 59.247 58.200 -0.217 0.000 1.002 320 S CB -0.202 62.945 63.200 -0.089 0.000 0.829 320 S HN 0.483 nan 8.310 nan 0.000 0.467 321 K N 0.992 121.297 120.400 -0.159 0.000 2.057 321 K HA -0.012 4.308 4.320 -0.001 0.000 0.206 321 K C 2.141 178.687 176.600 -0.089 0.000 1.050 321 K CA 1.021 57.249 56.287 -0.099 0.000 0.935 321 K CB -0.102 32.343 32.500 -0.093 0.000 0.715 321 K HN 0.218 nan 8.250 nan 0.000 0.439 322 K N -0.273 120.042 120.400 -0.141 0.000 2.155 322 K HA -0.091 4.229 4.320 -0.001 0.000 0.203 322 K C 1.980 178.601 176.600 0.034 0.000 1.052 322 K CA 1.027 57.265 56.287 -0.083 0.000 0.948 322 K CB -0.017 32.407 32.500 -0.126 0.000 0.728 322 K HN 0.090 nan 8.250 nan 0.000 0.448 323 Y N 0.670 120.899 120.300 -0.119 0.000 2.163 323 Y HA -0.071 4.479 4.550 -0.000 0.000 0.288 323 Y C 2.469 178.287 175.900 -0.137 0.000 1.136 323 Y CA 0.404 58.413 58.100 -0.152 0.000 1.147 323 Y CB -1.058 37.288 38.460 -0.190 0.000 0.987 323 Y HN 0.023 nan 8.280 nan 0.000 0.509 324 A N 0.235 123.093 122.820 0.063 0.000 1.940 324 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 324 A C 2.146 179.727 177.584 -0.005 0.000 1.176 324 A CA 1.964 54.004 52.037 0.005 0.000 0.631 324 A CB -0.662 18.335 19.000 -0.006 0.000 0.814 324 A HN 0.548 nan 8.150 nan 0.000 0.446 325 E N -0.408 119.791 120.200 -0.003 0.000 2.072 325 E HA -0.067 4.283 4.350 -0.001 0.000 0.191 325 E C 2.358 178.952 176.600 -0.010 0.000 0.985 325 E CA 0.845 57.239 56.400 -0.009 0.000 0.801 325 E CB -0.287 29.405 29.700 -0.013 0.000 0.750 325 E HN 0.628 nan 8.360 nan 0.000 0.452 326 A N 1.070 123.885 122.820 -0.008 0.000 1.902 326 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 326 A C 2.511 180.074 177.584 -0.034 0.000 1.181 326 A CA 1.136 53.158 52.037 -0.025 0.000 0.623 326 A CB -0.680 18.296 19.000 -0.040 0.000 0.818 326 A HN 0.111 nan 8.150 nan 0.000 0.443 327 V N 0.673 120.561 119.914 -0.044 0.000 2.343 327 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 327 V C 3.010 179.093 176.094 -0.019 0.000 1.051 327 V CA 2.459 64.732 62.300 -0.045 0.000 1.036 327 V CB -1.356 30.430 31.823 -0.062 0.000 0.654 327 V HN 0.861 nan 8.190 nan 0.000 0.451 328 T N -1.472 113.074 114.554 -0.014 0.000 2.962 328 T HA -0.172 4.178 4.350 -0.001 0.000 0.270 328 T C 1.867 176.566 174.700 -0.002 0.000 1.088 328 T CA 1.053 63.150 62.100 -0.006 0.000 1.127 328 T CB -0.342 68.523 68.868 -0.006 0.000 0.883 328 T HN 0.474 nan 8.240 nan 0.000 0.493 329 R N 1.274 121.772 120.500 -0.003 0.000 2.153 329 R HA 0.379 4.718 4.340 -0.001 0.000 0.218 329 R C 1.371 177.679 176.300 0.013 0.000 1.072 329 R CA 0.566 56.667 56.100 0.003 0.000 0.990 329 R CB -0.290 30.009 30.300 -0.001 0.000 0.889 329 R HN 0.490 nan 8.270 nan 0.000 0.452 330 A N 1.384 124.213 122.820 0.015 0.000 2.371 330 A HA 0.137 4.457 4.320 -0.001 0.000 0.257 330 A C 0.535 178.140 177.584 0.035 0.000 1.089 330 A CA -0.155 51.905 52.037 0.038 0.000 0.794 330 A CB 0.538 19.567 19.000 0.048 0.000 1.029 330 A HN 0.011 nan 8.150 nan 0.000 0.488 331 K N 0.021 120.448 120.400 0.044 0.000 2.354 331 K HA 0.127 4.446 4.320 -0.001 0.000 0.194 331 K C 0.439 177.053 176.600 0.024 0.000 1.045 331 K CA 0.632 56.935 56.287 0.027 0.000 1.026 331 K CB 0.486 32.995 32.500 0.015 0.000 0.866 331 K HN 0.817 nan 8.250 nan 0.000 0.530 332 Q N 0.390 120.224 119.800 0.057 0.000 2.331 332 Q HA 0.500 4.839 4.340 -0.001 0.000 0.272 332 Q C -1.586 174.528 176.000 0.191 0.000 1.062 332 Q CA -0.463 55.365 55.803 0.043 0.000 0.806 332 Q CB 1.827 30.489 28.738 -0.127 0.000 1.312 332 Q HN -0.010 nan 8.270 nan 0.000 0.431 333 I N 2.995 123.664 120.570 0.164 0.000 2.499 333 I HA 0.428 4.597 4.170 -0.001 0.000 0.288 333 I C -1.005 175.265 176.117 0.257 0.000 1.048 333 I CA -0.996 60.432 61.300 0.213 0.000 1.062 333 I CB 2.280 40.345 38.000 0.109 0.000 1.238 333 I HN 0.338 nan 8.210 nan 0.000 0.426 334 V N 5.246 125.379 119.914 0.365 0.000 2.409 334 V HA 0.354 4.474 4.120 -0.001 0.000 0.291 334 V C -1.236 175.045 176.094 0.311 0.000 1.020 334 V CA -0.431 62.075 62.300 0.343 0.000 0.848 334 V CB 1.833 33.939 31.823 0.472 0.000 0.990 334 V HN 0.637 nan 8.190 nan 0.000 0.430 335 W N 6.629 127.964 121.300 0.058 0.000 2.471 335 W HA 0.541 5.201 4.660 -0.000 0.000 0.318 335 W C -0.652 175.874 176.519 0.011 0.000 1.034 335 W CA -1.273 56.069 57.345 -0.005 0.000 1.224 335 W CB 1.225 30.654 29.460 -0.051 0.000 1.335 335 W HN 0.539 nan 8.180 nan 0.000 0.452 336 N N 4.316 123.208 118.700 0.320 0.000 2.504 336 N HA 0.509 5.248 4.740 -0.001 0.000 0.280 336 N C -0.575 175.000 175.510 0.108 0.000 1.052 336 N CA 0.409 53.520 53.050 0.101 0.000 0.887 336 N CB 1.494 40.043 38.487 0.104 0.000 1.323 336 N HN 0.793 nan 8.380 nan 0.000 0.509 337 G N 3.601 112.378 108.800 -0.038 0.000 3.067 337 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.686 337 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.686 337 G C -3.253 171.715 174.900 0.114 0.000 1.119 337 G CA -1.014 44.102 45.100 0.026 0.000 0.790 337 G HN 0.414 nan 8.290 nan 0.000 0.605 338 P HA 0.374 nan 4.420 nan 0.000 0.274 338 P C 1.137 178.572 177.300 0.224 0.000 1.237 338 P CA 0.324 63.464 63.100 0.066 0.000 0.793 338 P CB 1.349 33.001 31.700 -0.079 0.000 0.977 339 V N -2.243 117.830 119.914 0.266 0.000 3.596 339 V HA 0.553 4.673 4.120 -0.001 0.000 0.289 339 V C 0.595 176.847 176.094 0.263 0.000 1.336 339 V CA 0.723 63.158 62.300 0.225 0.000 1.137 339 V CB -0.536 31.399 31.823 0.187 0.000 0.966 339 V HN 0.769 nan 8.190 nan 0.000 0.428 340 G N -0.753 108.220 108.800 0.289 0.000 2.489 340 G HA2 0.431 4.390 3.960 -0.001 0.000 0.305 340 G HA3 0.431 4.390 3.960 -0.001 0.000 0.305 340 G C -1.136 173.971 174.900 0.345 0.000 1.311 340 G CA -0.075 45.217 45.100 0.320 0.000 0.813 340 G HN 0.241 nan 8.290 nan 0.000 0.480 341 V N 2.381 122.478 119.914 0.305 0.000 2.055 341 V HA 0.149 4.269 4.120 -0.001 0.000 0.248 341 V C 1.409 177.632 176.094 0.216 0.000 1.476 341 V CA 0.344 62.736 62.300 0.153 0.000 1.417 341 V CB -1.602 30.195 31.823 -0.044 0.000 1.465 341 V HN 0.631 nan 8.190 nan 0.000 0.502 342 F N 0.441 120.446 119.950 0.091 0.000 2.546 342 F HA -0.009 4.517 4.527 -0.001 0.000 0.298 342 F C 1.633 177.486 175.800 0.089 0.000 1.120 342 F CA 0.795 58.869 58.000 0.123 0.000 1.456 342 F CB -0.249 38.817 39.000 0.110 0.000 1.088 342 F HN 0.347 nan 8.300 nan 0.000 0.572 343 E N -0.183 119.617 120.200 -0.667 0.000 2.268 343 E HA -0.118 4.232 4.350 -0.001 0.000 0.195 343 E C -0.152 176.455 176.600 0.011 0.000 0.995 343 E CA 0.389 56.481 56.400 -0.513 0.000 0.836 343 E CB -0.027 29.319 29.700 -0.591 0.000 0.763 343 E HN 0.367 nan 8.360 nan 0.000 0.491 344 W N 1.346 122.641 121.300 -0.007 0.000 2.349 344 W HA 0.190 4.850 4.660 -0.000 0.000 0.309 344 W C 1.126 177.666 176.519 0.036 0.000 1.083 344 W CA -1.428 55.947 57.345 0.050 0.000 1.224 344 W CB 0.616 30.194 29.460 0.197 0.000 1.256 344 W HN 0.059 nan 8.180 nan 0.000 0.461 345 E N 2.754 123.059 120.200 0.176 0.000 2.160 345 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 345 E C 1.925 178.503 176.600 -0.037 0.000 0.991 345 E CA 1.858 58.301 56.400 0.072 0.000 0.810 345 E CB 0.245 29.962 29.700 0.028 0.000 0.742 345 E HN 0.468 nan 8.360 nan 0.000 0.466 346 A N -0.020 122.654 122.820 -0.243 0.000 2.076 346 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 346 A C 1.184 178.359 177.584 -0.682 0.000 1.160 346 A CA 1.050 52.716 52.037 -0.618 0.000 0.653 346 A CB -0.416 17.905 19.000 -1.131 0.000 0.801 346 A HN 0.394 nan 8.150 nan 0.000 0.455 347 F N -2.411 117.685 119.950 0.243 0.000 2.764 347 F HA 0.474 5.000 4.527 -0.001 0.000 0.310 347 F C 1.528 177.485 175.800 0.261 0.000 1.124 347 F CA 0.252 58.410 58.000 0.263 0.000 1.252 347 F CB 0.567 39.757 39.000 0.316 0.000 1.010 347 F HN 0.158 nan 8.300 nan 0.000 0.518 348 A N -0.118 122.891 122.820 0.315 0.000 2.343 348 A HA 0.182 4.502 4.320 -0.001 0.000 0.223 348 A C 2.101 179.833 177.584 0.246 0.000 1.214 348 A CA -0.031 52.196 52.037 0.316 0.000 0.900 348 A CB -0.066 19.094 19.000 0.268 0.000 0.942 348 A HN 0.233 nan 8.150 nan 0.000 0.507 349 R N -0.258 120.358 120.500 0.194 0.000 2.092 349 R HA -0.077 4.263 4.340 -0.001 0.000 0.231 349 R C 2.280 178.672 176.300 0.153 0.000 1.119 349 R CA 1.215 57.403 56.100 0.147 0.000 0.970 349 R CB -0.368 29.994 30.300 0.104 0.000 0.864 349 R HN 0.478 nan 8.270 nan 0.000 0.440 350 G N 0.272 109.181 108.800 0.182 0.000 2.402 350 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 350 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 350 G C 1.348 176.368 174.900 0.201 0.000 1.162 350 G CA 1.086 46.288 45.100 0.171 0.000 0.777 350 G HN 0.219 nan 8.290 nan 0.000 0.539 351 T N 0.540 115.240 114.554 0.244 0.000 2.684 351 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 351 T C 2.248 177.105 174.700 0.261 0.000 1.036 351 T CA 1.710 63.975 62.100 0.275 0.000 1.148 351 T CB -0.144 68.841 68.868 0.196 0.000 0.863 351 T HN 0.467 nan 8.240 nan 0.000 0.436 352 K N 1.276 121.796 120.400 0.200 0.000 2.057 352 K HA 0.059 4.379 4.320 -0.001 0.000 0.206 352 K C 2.434 179.115 176.600 0.136 0.000 1.050 352 K CA 1.200 57.584 56.287 0.161 0.000 0.935 352 K CB -0.397 32.184 32.500 0.136 0.000 0.715 352 K HN 0.243 nan 8.250 nan 0.000 0.439 353 A N 1.052 123.942 122.820 0.115 0.000 1.902 353 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 353 A C 2.064 179.686 177.584 0.064 0.000 1.181 353 A CA 1.400 53.483 52.037 0.077 0.000 0.623 353 A CB -0.675 18.360 19.000 0.059 0.000 0.818 353 A HN 0.392 nan 8.150 nan 0.000 0.443 354 L N -1.220 120.041 121.223 0.063 0.000 2.056 354 L HA -0.098 4.242 4.340 -0.001 0.000 0.207 354 L C 2.394 179.271 176.870 0.013 0.000 1.078 354 L CA 2.567 57.362 54.840 -0.076 0.000 0.749 354 L CB -0.661 41.210 42.059 -0.313 0.000 0.901 354 L HN 0.451 nan 8.230 nan 0.000 0.433 355 M N -0.254 119.498 119.600 0.253 0.000 2.080 355 M HA -0.216 4.264 4.480 -0.001 0.000 0.260 355 M C 1.758 178.147 176.300 0.148 0.000 1.068 355 M CA 1.844 57.333 55.300 0.314 0.000 1.109 355 M CB -0.705 32.041 32.600 0.244 0.000 1.342 355 M HN 0.300 nan 8.290 nan 0.000 0.405 356 D N 0.166 120.626 120.400 0.100 0.000 2.157 356 D HA -0.217 4.423 4.640 -0.001 0.000 0.191 356 D C 1.921 178.246 176.300 0.043 0.000 1.004 356 D CA 1.719 55.756 54.000 0.061 0.000 0.854 356 D CB -0.508 40.322 40.800 0.049 0.000 0.936 356 D HN 0.476 nan 8.370 nan 0.000 0.446 357 E N 0.283 120.500 120.200 0.029 0.000 2.072 357 E HA -0.077 4.273 4.350 -0.001 0.000 0.191 357 E C 2.506 179.113 176.600 0.011 0.000 0.985 357 E CA 0.279 56.683 56.400 0.007 0.000 0.801 357 E CB -0.306 29.382 29.700 -0.020 0.000 0.750 357 E HN 0.202 nan 8.360 nan 0.000 0.452 358 V N 1.121 121.052 119.914 0.029 0.000 2.427 358 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 358 V C 2.544 178.671 176.094 0.055 0.000 1.051 358 V CA 1.045 63.379 62.300 0.056 0.000 1.048 358 V CB -0.408 31.504 31.823 0.148 0.000 0.666 358 V HN 0.050 nan 8.190 nan 0.000 0.456 359 V N -0.194 119.755 119.914 0.059 0.000 2.358 359 V HA -0.264 3.856 4.120 -0.001 0.000 0.246 359 V C 2.446 178.556 176.094 0.026 0.000 1.047 359 V CA 2.018 64.341 62.300 0.040 0.000 1.035 359 V CB -0.620 31.227 31.823 0.041 0.000 0.658 359 V HN 0.535 nan 8.190 nan 0.000 0.452 360 K N 0.167 120.581 120.400 0.024 0.000 2.057 360 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 360 K C 2.293 178.901 176.600 0.013 0.000 1.049 360 K CA 1.477 57.774 56.287 0.015 0.000 0.931 360 K CB -0.429 32.078 32.500 0.012 0.000 0.714 360 K HN 0.479 nan 8.250 nan 0.000 0.440 361 A N 1.037 123.866 122.820 0.014 0.000 1.902 361 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 361 A C 2.218 179.811 177.584 0.014 0.000 1.181 361 A CA 2.110 54.155 52.037 0.012 0.000 0.623 361 A CB -1.007 18.000 19.000 0.013 0.000 0.818 361 A HN 0.281 nan 8.150 nan 0.000 0.443 362 T N 0.104 114.669 114.554 0.017 0.000 2.708 362 T HA -0.132 4.217 4.350 -0.001 0.000 0.266 362 T C 2.160 176.867 174.700 0.011 0.000 1.037 362 T CA 1.686 63.794 62.100 0.014 0.000 1.146 362 T CB -0.471 68.404 68.868 0.013 0.000 0.865 362 T HN 0.443 nan 8.240 nan 0.000 0.435 363 S N 1.614 117.320 115.700 0.010 0.000 2.420 363 S HA -0.155 4.315 4.470 -0.001 0.000 0.237 363 S C 1.863 176.467 174.600 0.006 0.000 1.023 363 S CA 1.333 59.538 58.200 0.008 0.000 0.991 363 S CB -0.197 63.008 63.200 0.008 0.000 0.792 363 S HN 0.653 nan 8.310 nan 0.000 0.488 364 R N 0.249 120.753 120.500 0.007 0.000 2.427 364 R HA 0.481 4.821 4.340 -0.001 0.000 0.262 364 R C 1.096 177.398 176.300 0.004 0.000 0.943 364 R CA 0.636 56.739 56.100 0.005 0.000 1.081 364 R CB -0.512 29.791 30.300 0.004 0.000 1.166 364 R HN 0.157 nan 8.270 nan 0.000 0.534 365 G N -0.437 108.366 108.800 0.005 0.000 2.179 365 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.220 365 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.220 365 G C 0.171 175.074 174.900 0.006 0.000 0.990 365 G CA -0.178 44.925 45.100 0.004 0.000 0.646 365 G HN 0.510 nan 8.290 nan 0.000 0.517 366 C N 2.541 121.847 119.300 0.009 0.000 2.644 366 C HA 0.589 5.048 4.460 -0.001 0.000 0.417 366 C C 1.170 176.170 174.990 0.016 0.000 1.304 366 C CA -1.063 57.962 59.018 0.013 0.000 2.035 366 C CB -0.680 27.070 27.740 0.017 0.000 2.673 366 C HN 0.379 nan 8.230 nan 0.000 0.602 367 I N 6.731 127.309 120.570 0.013 0.000 2.379 367 I HA 0.228 4.397 4.170 -0.001 0.000 0.290 367 I C 0.835 176.964 176.117 0.020 0.000 1.063 367 I CA 0.643 61.956 61.300 0.022 0.000 1.351 367 I CB 0.171 38.178 38.000 0.012 0.000 1.410 367 I HN 0.847 nan 8.210 nan 0.000 0.505 368 T N 5.113 119.673 114.554 0.011 0.000 2.812 368 T HA 0.782 5.132 4.350 -0.001 0.000 0.282 368 T C -0.469 174.211 174.700 -0.034 0.000 0.990 368 T CA -0.648 61.464 62.100 0.019 0.000 0.960 368 T CB 1.720 70.609 68.868 0.036 0.000 0.948 368 T HN 0.304 nan 8.240 nan 0.000 0.438 369 I N 4.412 124.979 120.570 -0.006 0.000 2.436 369 I HA 0.565 4.735 4.170 -0.001 0.000 0.289 369 I C -0.166 175.954 176.117 0.006 0.000 1.010 369 I CA -1.220 60.032 61.300 -0.081 0.000 1.098 369 I CB 1.747 39.665 38.000 -0.137 0.000 1.266 369 I HN 0.791 nan 8.210 nan 0.000 0.434 370 I N 2.176 122.694 120.570 -0.087 0.000 2.957 370 I HA 0.936 5.106 4.170 -0.001 0.000 0.310 370 I C 0.115 176.135 176.117 -0.162 0.000 1.063 370 I CA -0.691 60.535 61.300 -0.123 0.000 1.033 370 I CB 2.057 39.937 38.000 -0.201 0.000 1.230 370 I HN 0.513 nan 8.210 nan 0.000 0.447 371 G N 0.582 109.249 108.800 -0.222 0.000 2.502 371 G HA2 0.739 4.699 3.960 -0.001 0.000 0.305 371 G HA3 0.739 4.699 3.960 -0.001 0.000 0.305 371 G C -0.473 174.313 174.900 -0.190 0.000 1.190 371 G CA -0.361 44.649 45.100 -0.149 0.000 0.933 371 G HN 1.241 nan 8.290 nan 0.000 0.503 387 K N 0.811 121.201 120.400 -0.016 0.000 2.354 387 K HA 0.296 4.616 4.320 -0.001 0.000 0.194 387 K C 0.613 177.208 176.600 -0.008 0.000 1.038 387 K CA 0.544 56.826 56.287 -0.007 0.000 1.052 387 K CB 2.028 34.528 32.500 -0.001 0.000 0.861 387 K HN 0.338 nan 8.250 nan 0.000 0.535 388 V N -2.948 116.949 119.914 -0.028 0.000 3.074 388 V HA 0.353 4.473 4.120 -0.001 0.000 0.314 388 V C 1.187 177.242 176.094 -0.064 0.000 1.117 388 V CA -0.752 61.527 62.300 -0.035 0.000 1.014 388 V CB 1.881 33.679 31.823 -0.041 0.000 1.057 388 V HN -0.103 nan 8.190 nan 0.000 0.438 389 S N 0.210 115.867 115.700 -0.072 0.000 2.368 389 S HA -0.078 4.391 4.470 -0.001 0.000 0.225 389 S C 0.500 174.935 174.600 -0.275 0.000 1.030 389 S CA 2.152 60.293 58.200 -0.099 0.000 0.999 389 S CB -0.449 62.728 63.200 -0.037 0.000 0.844 389 S HN 1.113 nan 8.310 nan 0.000 0.459 390 H N -0.488 118.285 119.070 -0.496 0.000 3.083 390 H HA 0.460 5.013 4.556 -0.005 0.000 0.339 390 H C -1.731 173.369 175.328 -0.380 0.000 1.020 390 H CA -0.594 55.056 56.048 -0.664 0.000 1.360 390 H CB 0.921 29.855 29.762 -1.379 0.000 1.811 390 H HN -0.106 nan 8.280 nan 0.000 0.493 391 V N 4.648 124.169 119.914 -0.656 0.000 2.304 391 V HA 0.254 4.373 4.120 -0.001 0.000 0.269 391 V C 0.680 176.344 176.094 -0.717 0.000 1.036 391 V CA -0.465 61.517 62.300 -0.530 0.000 0.840 391 V CB 0.718 32.375 31.823 -0.276 0.000 1.036 391 V HN 0.851 nan 8.190 nan 0.000 0.466 392 S N 3.532 118.845 115.700 -0.645 0.000 2.562 392 S HA 0.089 4.559 4.470 -0.001 0.000 0.281 392 S C 1.445 176.033 174.600 -0.020 0.000 1.333 392 S CA 0.274 58.313 58.200 -0.268 0.000 1.052 392 S CB 0.904 64.226 63.200 0.204 0.000 0.884 392 S HN 0.998 nan 8.310 nan 0.000 0.506 393 T N 1.567 116.204 114.554 0.139 0.000 3.086 393 T HA 0.219 4.568 4.350 -0.001 0.000 0.250 393 T C 1.728 176.573 174.700 0.242 0.000 1.074 393 T CA 0.368 62.574 62.100 0.177 0.000 0.988 393 T CB -0.161 68.833 68.868 0.209 0.000 0.988 393 T HN 0.635 nan 8.240 nan 0.000 0.530 394 G N 1.282 110.304 108.800 0.369 0.000 2.422 394 G HA2 0.327 4.286 3.960 -0.001 0.000 0.218 394 G HA3 0.327 4.286 3.960 -0.001 0.000 0.218 394 G C 1.263 176.110 174.900 -0.088 0.000 1.140 394 G CA 0.298 45.504 45.100 0.176 0.000 0.775 394 G HN 0.987 nan 8.290 nan 0.000 0.545 395 G N -0.081 108.703 108.800 -0.026 0.000 2.622 395 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.307 395 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.307 395 G C 1.508 176.302 174.900 -0.177 0.000 1.226 395 G CA 0.954 46.011 45.100 -0.072 0.000 0.997 395 G HN 1.246 nan 8.290 nan 0.000 0.551 396 G N 0.182 108.845 108.800 -0.229 0.000 2.479 396 G HA2 0.217 4.177 3.960 -0.001 0.000 0.220 396 G HA3 0.217 4.177 3.960 -0.001 0.000 0.220 396 G C 2.016 176.425 174.900 -0.820 0.000 1.115 396 G CA 2.812 47.680 45.100 -0.387 0.000 0.757 396 G HN 1.800 nan 8.290 nan 0.000 0.560 397 A N 0.672 122.900 122.820 -0.987 0.000 1.897 397 A HA 0.107 4.426 4.320 -0.001 0.000 0.215 397 A C 2.695 179.930 177.584 -0.583 0.000 1.181 397 A CA 1.982 53.453 52.037 -0.945 0.000 0.620 397 A CB -0.500 17.941 19.000 -0.932 0.000 0.821 397 A HN 0.282 nan 8.150 nan 0.000 0.443 398 S N -0.320 115.120 115.700 -0.434 0.000 2.368 398 S HA -0.131 4.338 4.470 -0.001 0.000 0.225 398 S C 1.839 176.257 174.600 -0.304 0.000 1.030 398 S CA 1.451 59.443 58.200 -0.347 0.000 0.999 398 S CB -0.404 62.718 63.200 -0.130 0.000 0.844 398 S HN 0.410 nan 8.310 nan 0.000 0.459 399 L N 1.922 123.006 121.223 -0.232 0.000 2.017 399 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 399 L C 2.408 179.190 176.870 -0.147 0.000 1.073 399 L CA 1.652 56.401 54.840 -0.152 0.000 0.745 399 L CB -0.468 41.518 42.059 -0.122 0.000 0.894 399 L HN 0.276 nan 8.230 nan 0.000 0.432 400 E N -0.925 119.160 120.200 -0.191 0.000 2.110 400 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 400 E C 2.120 178.659 176.600 -0.102 0.000 0.988 400 E CA 1.282 57.611 56.400 -0.118 0.000 0.804 400 E CB -0.278 29.371 29.700 -0.085 0.000 0.745 400 E HN 0.303 nan 8.360 nan 0.000 0.458 401 L N 1.054 122.183 121.223 -0.156 0.000 1.994 401 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 401 L C 2.242 179.057 176.870 -0.091 0.000 1.071 401 L CA 1.525 56.290 54.840 -0.125 0.000 0.745 401 L CB -0.510 41.428 42.059 -0.202 0.000 0.892 401 L HN 0.093 nan 8.230 nan 0.000 0.431 402 L N -0.875 120.271 121.223 -0.128 0.000 2.191 402 L HA -0.194 4.145 4.340 -0.001 0.000 0.212 402 L C 2.167 179.034 176.870 -0.005 0.000 1.103 402 L CA 1.053 55.872 54.840 -0.036 0.000 0.769 402 L CB -0.550 41.495 42.059 -0.024 0.000 0.908 402 L HN 0.366 nan 8.230 nan 0.000 0.438 403 E N -0.026 120.159 120.200 -0.024 0.000 2.482 403 E HA -0.017 4.333 4.350 -0.001 0.000 0.196 403 E C 1.321 177.922 176.600 0.001 0.000 1.047 403 E CA 0.465 56.860 56.400 -0.009 0.000 0.869 403 E CB 0.064 29.754 29.700 -0.016 0.000 0.836 403 E HN 0.551 nan 8.360 nan 0.000 0.520 404 G N 1.838 110.640 108.800 0.003 0.000 2.137 404 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.237 404 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.237 404 G C 0.043 174.948 174.900 0.007 0.000 1.002 404 G CA 0.236 45.343 45.100 0.012 0.000 0.702 404 G HN 0.147 nan 8.290 nan 0.000 0.515 405 K N -0.580 119.819 120.400 -0.003 0.000 2.090 405 K HA 0.645 4.964 4.320 -0.001 0.000 0.249 405 K C 0.825 177.427 176.600 0.003 0.000 0.995 405 K CA -0.858 55.429 56.287 -0.001 0.000 0.914 405 K CB 1.671 34.169 32.500 -0.003 0.000 1.057 405 K HN 0.008 nan 8.250 nan 0.000 0.462 406 V N 2.409 122.327 119.914 0.006 0.000 2.811 406 V HA 0.038 4.158 4.120 -0.001 0.000 0.302 406 V C 0.052 176.151 176.094 0.009 0.000 1.063 406 V CA -0.035 62.271 62.300 0.010 0.000 1.088 406 V CB 0.452 32.279 31.823 0.007 0.000 0.982 406 V HN 0.474 nan 8.190 nan 0.000 0.485 407 L N 7.204 128.437 121.223 0.016 0.000 2.297 407 L HA 0.295 4.634 4.340 -0.001 0.000 0.277 407 L C -1.564 175.314 176.870 0.012 0.000 1.040 407 L CA -1.522 53.326 54.840 0.014 0.000 0.867 407 L CB 1.436 43.513 42.059 0.029 0.000 1.244 407 L HN 0.495 nan 8.230 nan 0.000 0.433 408 P HA -0.152 nan 4.420 nan 0.000 0.216 408 P C 1.568 178.870 177.300 0.004 0.000 1.150 408 P CA 1.093 64.187 63.100 -0.011 0.000 0.837 408 P CB 0.312 31.989 31.700 -0.038 0.000 0.786 409 G N -0.633 108.169 108.800 0.003 0.000 2.448 409 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.219 409 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.219 409 G C 1.542 176.484 174.900 0.070 0.000 1.127 409 G CA 0.494 45.618 45.100 0.040 0.000 0.766 409 G HN 0.192 nan 8.290 nan 0.000 0.552 410 V N 0.980 120.933 119.914 0.065 0.000 2.446 410 V HA -0.060 4.060 4.120 -0.001 0.000 0.244 410 V C 2.401 178.529 176.094 0.057 0.000 1.039 410 V CA 1.710 64.056 62.300 0.077 0.000 1.045 410 V CB -0.271 31.607 31.823 0.092 0.000 0.681 410 V HN 0.206 nan 8.190 nan 0.000 0.459 411 D N 1.015 121.440 120.400 0.042 0.000 2.221 411 D HA -0.118 4.521 4.640 -0.001 0.000 0.204 411 D C 1.924 178.239 176.300 0.026 0.000 0.982 411 D CA 1.551 55.569 54.000 0.029 0.000 0.857 411 D CB -0.152 40.660 40.800 0.019 0.000 0.934 411 D HN 0.471 nan 8.370 nan 0.000 0.475 412 A N -0.124 122.715 122.820 0.031 0.000 2.251 412 A HA 0.149 4.469 4.320 -0.001 0.000 0.209 412 A C 1.025 178.632 177.584 0.039 0.000 1.187 412 A CA -0.160 51.890 52.037 0.021 0.000 0.823 412 A CB -0.163 18.841 19.000 0.007 0.000 0.846 412 A HN 0.127 nan 8.150 nan 0.000 0.486 413 L N 0.907 122.168 121.223 0.063 0.000 2.467 413 L HA 0.112 4.452 4.340 -0.001 0.000 0.270 413 L C 0.524 177.422 176.870 0.046 0.000 1.205 413 L CA -0.480 54.407 54.840 0.078 0.000 0.828 413 L CB 0.632 42.733 42.059 0.070 0.000 1.101 413 L HN 0.111 nan 8.230 nan 0.000 0.479 414 S N 1.753 117.480 115.700 0.046 0.000 2.563 414 S HA 0.008 4.478 4.470 -0.001 0.000 0.294 414 S C 0.051 174.664 174.600 0.021 0.000 1.279 414 S CA -0.508 57.708 58.200 0.027 0.000 1.069 414 S CB -0.132 63.085 63.200 0.028 0.000 0.828 414 S HN 0.461 nan 8.310 nan 0.000 0.497 415 N N 2.570 121.278 118.700 0.014 0.000 2.520 415 N HA 0.619 5.359 4.740 -0.001 0.000 0.273 415 N C 0.240 175.756 175.510 0.010 0.000 1.155 415 N CA -0.068 52.989 53.050 0.012 0.000 0.967 415 N CB 0.438 38.931 38.487 0.009 0.000 1.092 415 N HN 0.802 nan 8.380 nan 0.000 0.457 416 I N 0.000 120.575 120.570 0.008 0.000 2.984 416 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 416 I CA 0.000 61.304 61.300 0.006 0.000 1.566 416 I CB 0.000 38.004 38.000 0.006 0.000 1.214 416 I HN 0.000 nan 8.210 nan 0.000 0.494