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 3f1v_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKFTVEREHL LKPLQQVSGP LGGRPTLPIL GNLLLQVADG TLSLTGTDLE DATA SEQUENCE MEMVARVALV QPHEPGATTV PARKFFDICR GLPEGAEIAV QLEGERMLVR DATA SEQUENCE SGRSRFSLST LPAADFPNLD DWQSEVEFTL PQATMKRLIE ATQFSMAAAA DATA SEQUENCE AAYYLNGMLF ETEGEELRTV ATDGHRLAVC SMPIGQSLPS HSVIVPRKGV DATA SEQUENCE IELMRMLDGG DNPLRVQIGS NNIRAHVGDF IFTSKLVDGR FPDYRRVLPK DATA SEQUENCE NPDKHLEAGC DLLKQAFARA AILSNEKFRG VRLYVSENQL KITANNPEQE DATA SEQUENCE EAEEILDVTY SGAEMEIGFN VSYVLDVLNA LKCENVRMML TDSVSSVQIE DATA SEQUENCE DAASQSAAYV VMPMRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.344 176.300 0.074 0.000 1.140 1 M CA 0.000 55.343 55.300 0.072 0.000 0.988 1 M CB 0.000 32.642 32.600 0.069 0.000 1.302 2 K N 4.709 125.187 120.400 0.129 0.000 2.523 2 K HA 0.790 5.109 4.320 -0.000 0.000 0.257 2 K C -2.132 174.601 176.600 0.222 0.000 0.932 2 K CA -0.481 55.848 56.287 0.070 0.000 0.812 2 K CB 2.039 34.559 32.500 0.034 0.000 1.326 2 K HN 0.540 nan 8.250 nan 0.000 0.433 3 F N -1.284 118.708 119.950 0.069 0.000 2.686 3 F HA 0.638 5.165 4.527 -0.000 0.000 0.311 3 F C -1.385 174.461 175.800 0.076 0.000 1.128 3 F CA -0.806 57.246 58.000 0.087 0.000 0.946 3 F CB 2.040 41.076 39.000 0.059 0.000 1.336 3 F HN 0.221 nan 8.300 nan 0.000 0.457 4 T N 1.952 116.681 114.554 0.292 0.000 2.879 4 T HA 0.692 5.042 4.350 -0.000 0.000 0.290 4 T C -1.356 173.490 174.700 0.243 0.000 0.993 4 T CA -0.620 61.586 62.100 0.177 0.000 0.975 4 T CB 1.729 70.649 68.868 0.088 0.000 0.981 4 T HN 0.649 nan 8.240 nan 0.000 0.439 5 V N 2.084 122.148 119.914 0.250 0.000 2.925 5 V HA 0.445 4.565 4.120 -0.000 0.000 0.311 5 V C 0.041 176.202 176.094 0.112 0.000 1.104 5 V CA -1.107 61.292 62.300 0.167 0.000 0.954 5 V CB 2.192 34.140 31.823 0.209 0.000 1.022 5 V HN 0.903 nan 8.190 nan 0.000 0.427 6 E N 3.231 123.464 120.200 0.055 0.000 2.392 6 E HA 0.075 4.425 4.350 -0.000 0.000 0.264 6 E C 1.194 177.865 176.600 0.119 0.000 1.024 6 E CA -0.216 56.232 56.400 0.081 0.000 0.903 6 E CB 0.812 30.558 29.700 0.078 0.000 0.963 6 E HN 0.642 nan 8.360 nan 0.000 0.432 7 R N 3.267 123.818 120.500 0.084 0.000 2.113 7 R HA -0.246 4.094 4.340 -0.000 0.000 0.244 7 R C 1.122 177.463 176.300 0.069 0.000 1.142 7 R CA 2.425 58.558 56.100 0.055 0.000 0.953 7 R CB -0.005 30.307 30.300 0.020 0.000 0.860 7 R HN 0.532 nan 8.270 nan 0.000 0.438 8 E N -0.857 119.396 120.200 0.088 0.000 2.358 8 E HA -0.082 4.267 4.350 -0.000 0.000 0.195 8 E C 1.434 178.062 176.600 0.046 0.000 1.010 8 E CA 0.872 57.308 56.400 0.060 0.000 0.856 8 E CB -0.059 29.662 29.700 0.035 0.000 0.795 8 E HN 0.553 nan 8.360 nan 0.000 0.504 9 H N -0.994 118.090 119.070 0.024 0.000 2.529 9 H HA 0.069 4.625 4.556 -0.000 0.000 0.277 9 H C 1.341 176.676 175.328 0.012 0.000 0.999 9 H CA 0.670 56.726 56.048 0.013 0.000 1.256 9 H CB 0.327 30.092 29.762 0.004 0.000 1.402 9 H HN 0.057 nan 8.280 nan 0.000 0.566 10 L N -1.038 120.263 121.223 0.130 0.000 2.470 10 L HA 0.108 4.448 4.340 -0.000 0.000 0.219 10 L C 1.614 178.536 176.870 0.087 0.000 1.071 10 L CA 0.634 55.528 54.840 0.089 0.000 0.850 10 L CB -0.144 41.966 42.059 0.086 0.000 1.040 10 L HN 0.161 nan 8.230 nan 0.000 0.475 11 L N 0.112 121.390 121.223 0.092 0.000 2.005 11 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 11 L C 2.563 179.549 176.870 0.195 0.000 1.072 11 L CA 1.980 56.917 54.840 0.160 0.000 0.744 11 L CB -0.670 41.458 42.059 0.114 0.000 0.895 11 L HN 0.301 nan 8.230 nan 0.000 0.433 12 K N -0.810 119.672 120.400 0.137 0.000 2.057 12 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 12 K C -0.480 176.243 176.600 0.206 0.000 1.049 12 K CA 1.452 57.824 56.287 0.142 0.000 0.931 12 K CB -0.980 31.608 32.500 0.148 0.000 0.714 12 K HN 0.245 nan 8.250 nan 0.000 0.440 13 P HA -0.169 nan 4.420 nan 0.000 0.215 13 P C 1.295 178.697 177.300 0.169 0.000 1.157 13 P CA 1.243 64.510 63.100 0.277 0.000 0.874 13 P CB 0.036 31.781 31.700 0.075 0.000 0.790 14 L N -0.839 120.445 121.223 0.100 0.000 2.046 14 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 14 L C 2.836 179.554 176.870 -0.253 0.000 1.077 14 L CA 1.535 56.395 54.840 0.034 0.000 0.747 14 L CB -0.841 41.322 42.059 0.173 0.000 0.896 14 L HN 0.045 nan 8.230 nan 0.000 0.432 15 Q N -0.402 119.171 119.800 -0.378 0.000 2.061 15 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 15 Q C 2.250 178.042 176.000 -0.346 0.000 0.984 15 Q CA 1.618 57.016 55.803 -0.676 0.000 0.846 15 Q CB 0.016 28.538 28.738 -0.361 0.000 0.902 15 Q HN 0.493 nan 8.270 nan 0.000 0.421 16 Q N -0.154 119.548 119.800 -0.163 0.000 2.050 16 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 16 Q C 2.230 178.200 176.000 -0.049 0.000 0.980 16 Q CA 1.957 57.680 55.803 -0.134 0.000 0.840 16 Q CB -0.268 28.358 28.738 -0.186 0.000 0.898 16 Q HN 0.541 nan 8.270 nan 0.000 0.424 17 V N -2.300 117.627 119.914 0.022 0.000 3.380 17 V HA 0.019 4.139 4.120 -0.000 0.000 0.268 17 V C 1.745 177.857 176.094 0.030 0.000 1.168 17 V CA 1.192 63.531 62.300 0.065 0.000 1.156 17 V CB -0.077 31.812 31.823 0.111 0.000 0.785 17 V HN 0.045 nan 8.190 nan 0.000 0.487 18 S N 1.525 117.194 115.700 -0.052 0.000 2.461 18 S HA 0.105 4.574 4.470 -0.000 0.000 0.228 18 S C 2.063 176.647 174.600 -0.026 0.000 1.005 18 S CA 0.983 59.157 58.200 -0.044 0.000 0.942 18 S CB -0.332 62.793 63.200 -0.125 0.000 0.776 18 S HN 0.804 nan 8.310 nan 0.000 0.514 19 G N 2.820 111.594 108.800 -0.043 0.000 2.550 19 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.222 19 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.222 19 G C -1.004 173.908 174.900 0.020 0.000 1.113 19 G CA 0.856 45.943 45.100 -0.021 0.000 0.748 19 G HN 0.469 nan 8.290 nan 0.000 0.585 20 P HA 0.173 nan 4.420 nan 0.000 0.240 20 P C 0.328 177.659 177.300 0.051 0.000 1.190 20 P CA -0.013 63.126 63.100 0.065 0.000 0.781 20 P CB 0.251 32.003 31.700 0.088 0.000 0.931 21 L N -0.686 120.566 121.223 0.049 0.000 2.418 21 L HA 0.435 4.774 4.340 -0.000 0.000 0.265 21 L C 1.485 178.376 176.870 0.036 0.000 1.143 21 L CA 0.230 55.099 54.840 0.048 0.000 0.809 21 L CB -0.126 41.968 42.059 0.058 0.000 1.124 21 L HN -0.052 nan 8.230 nan 0.000 0.456 22 G N -0.136 108.686 108.800 0.036 0.000 2.890 22 G HA2 0.503 4.463 3.960 -0.000 0.000 0.189 22 G HA3 0.503 4.463 3.960 -0.000 0.000 0.189 22 G C 0.650 175.570 174.900 0.033 0.000 1.342 22 G CA 0.013 45.132 45.100 0.030 0.000 1.026 22 G HN 0.751 nan 8.290 nan 0.000 0.579 23 G N -0.948 107.870 108.800 0.030 0.000 2.624 23 G HA2 0.129 4.089 3.960 -0.000 0.000 0.216 23 G HA3 0.129 4.089 3.960 -0.000 0.000 0.216 23 G C 0.804 175.725 174.900 0.034 0.000 1.274 23 G CA -0.018 45.100 45.100 0.031 0.000 0.856 23 G HN 0.542 nan 8.290 nan 0.000 0.555 24 R N 1.581 122.098 120.500 0.028 0.000 2.312 24 R HA 0.404 4.744 4.340 -0.000 0.000 0.311 24 R C -2.378 173.938 176.300 0.027 0.000 1.004 24 R CA -1.408 54.709 56.100 0.028 0.000 0.902 24 R CB 1.379 31.693 30.300 0.023 0.000 1.073 24 R HN 0.172 nan 8.270 nan 0.000 0.457 25 P HA 0.195 nan 4.420 nan 0.000 0.279 25 P C 0.110 177.421 177.300 0.018 0.000 1.252 25 P CA -0.491 62.625 63.100 0.026 0.000 0.811 25 P CB 1.118 32.839 31.700 0.035 0.000 1.035 26 T N 0.111 114.670 114.554 0.010 0.000 2.684 26 T HA -0.033 4.316 4.350 -0.000 0.000 0.267 26 T C 0.902 175.605 174.700 0.004 0.000 1.036 26 T CA 1.261 63.363 62.100 0.004 0.000 1.148 26 T CB -0.360 68.505 68.868 -0.004 0.000 0.863 26 T HN 0.282 nan 8.240 nan 0.000 0.436 27 L N -0.144 121.081 121.223 0.003 0.000 2.371 27 L HA 0.344 4.684 4.340 -0.000 0.000 0.262 27 L C -1.929 174.952 176.870 0.018 0.000 1.006 27 L CA -2.451 52.393 54.840 0.007 0.000 0.818 27 L CB 2.300 44.358 42.059 -0.002 0.000 1.354 27 L HN -0.207 nan 8.230 nan 0.000 0.415 28 P HA -0.184 nan 4.420 nan 0.000 0.216 28 P C 1.609 178.943 177.300 0.058 0.000 1.153 28 P CA 1.171 64.295 63.100 0.040 0.000 0.858 28 P CB 0.301 32.024 31.700 0.039 0.000 0.789 29 I N -1.260 119.343 120.570 0.055 0.000 2.423 29 I HA -0.210 3.960 4.170 -0.000 0.000 0.254 29 I C 1.867 178.042 176.117 0.097 0.000 1.151 29 I CA 1.369 62.725 61.300 0.093 0.000 1.421 29 I CB -0.408 37.634 38.000 0.071 0.000 1.079 29 I HN -0.143 nan 8.210 nan 0.000 0.431 30 L N -0.291 120.952 121.223 0.033 0.000 2.376 30 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 30 L C 2.172 179.090 176.870 0.079 0.000 1.133 30 L CA 0.884 55.733 54.840 0.016 0.000 0.816 30 L CB -0.872 41.176 42.059 -0.018 0.000 0.933 30 L HN 0.393 nan 8.230 nan 0.000 0.449 31 G N -0.955 107.900 108.800 0.091 0.000 2.985 31 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.209 31 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.209 31 G C 0.387 175.366 174.900 0.132 0.000 1.165 31 G CA -0.163 44.996 45.100 0.099 0.000 0.776 31 G HN 0.212 nan 8.290 nan 0.000 0.541 32 N N -0.171 118.640 118.700 0.186 0.000 2.477 32 N HA 0.627 5.367 4.740 -0.000 0.000 0.284 32 N C -0.522 175.124 175.510 0.228 0.000 1.182 32 N CA -0.628 52.533 53.050 0.185 0.000 0.949 32 N CB 1.868 40.466 38.487 0.184 0.000 1.204 32 N HN 0.061 nan 8.380 nan 0.000 0.526 33 L N -0.980 120.284 121.223 0.069 0.000 2.330 33 L HA 0.685 5.025 4.340 -0.000 0.000 0.271 33 L C -0.559 176.069 176.870 -0.403 0.000 1.013 33 L CA -1.060 53.736 54.840 -0.073 0.000 0.816 33 L CB 0.373 42.450 42.059 0.030 0.000 1.287 33 L HN 0.275 nan 8.230 nan 0.000 0.435 34 L N 2.691 123.435 121.223 -0.798 0.000 2.290 34 L HA 0.606 4.946 4.340 -0.000 0.000 0.284 34 L C -0.976 175.688 176.870 -0.342 0.000 1.078 34 L CA 0.056 54.430 54.840 -0.777 0.000 0.815 34 L CB 0.755 42.163 42.059 -1.085 0.000 1.162 34 L HN 0.580 nan 8.230 nan 0.000 0.435 35 L N 5.473 126.562 121.223 -0.224 0.000 2.322 35 L HA 0.595 4.935 4.340 -0.000 0.000 0.281 35 L C -0.345 176.466 176.870 -0.100 0.000 1.014 35 L CA -0.029 54.739 54.840 -0.120 0.000 0.815 35 L CB 1.736 43.766 42.059 -0.049 0.000 1.247 35 L HN 0.608 nan 8.230 nan 0.000 0.421 36 Q N 2.143 121.882 119.800 -0.101 0.000 2.305 36 Q HA 0.649 4.989 4.340 -0.000 0.000 0.271 36 Q C -1.494 174.452 176.000 -0.089 0.000 1.046 36 Q CA -0.672 55.085 55.803 -0.076 0.000 0.798 36 Q CB 3.268 31.961 28.738 -0.075 0.000 1.286 36 Q HN 0.341 nan 8.270 nan 0.000 0.435 37 V N 1.647 121.533 119.914 -0.047 0.000 2.384 37 V HA 0.887 5.006 4.120 -0.000 0.000 0.287 37 V C -0.650 175.420 176.094 -0.039 0.000 1.020 37 V CA -0.380 61.882 62.300 -0.065 0.000 0.850 37 V CB 1.274 33.108 31.823 0.018 0.000 0.987 37 V HN 0.827 nan 8.190 nan 0.000 0.436 38 A N 3.253 126.032 122.820 -0.069 0.000 2.540 38 A HA 0.664 4.984 4.320 -0.000 0.000 0.297 38 A C -0.382 177.170 177.584 -0.054 0.000 1.056 38 A CA -0.537 51.478 52.037 -0.036 0.000 0.700 38 A CB 1.126 20.105 19.000 -0.035 0.000 1.280 38 A HN 0.739 nan 8.150 nan 0.000 0.398 39 D N 1.304 121.695 120.400 -0.015 0.000 2.697 39 D HA -0.166 4.473 4.640 -0.000 0.000 0.235 39 D C 1.218 177.491 176.300 -0.045 0.000 1.167 39 D CA 2.935 56.927 54.000 -0.013 0.000 0.656 39 D CB -1.084 39.699 40.800 -0.028 0.000 1.025 39 D HN 2.215 nan 8.370 nan 0.000 0.419 40 G N -0.874 107.883 108.800 -0.072 0.000 2.168 40 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.257 40 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.257 40 G C 0.385 175.100 174.900 -0.308 0.000 0.997 40 G CA 0.816 45.785 45.100 -0.217 0.000 0.708 40 G HN 0.575 nan 8.290 nan 0.000 0.520 41 T N -0.018 114.373 114.554 -0.271 0.000 2.886 41 T HA 0.558 4.908 4.350 -0.000 0.000 0.292 41 T C -0.547 173.997 174.700 -0.259 0.000 1.012 41 T CA -0.533 61.429 62.100 -0.230 0.000 0.982 41 T CB 2.238 71.013 68.868 -0.156 0.000 1.018 41 T HN 0.692 nan 8.240 nan 0.000 0.451 42 L N 2.916 123.960 121.223 -0.298 0.000 2.292 42 L HA 0.720 5.060 4.340 -0.000 0.000 0.284 42 L C -0.385 176.344 176.870 -0.234 0.000 1.065 42 L CA 0.323 54.958 54.840 -0.340 0.000 0.806 42 L CB 1.054 42.773 42.059 -0.567 0.000 1.175 42 L HN 0.568 nan 8.230 nan 0.000 0.431 43 S N 5.300 120.890 115.700 -0.183 0.000 2.500 43 S HA 0.789 5.258 4.470 -0.000 0.000 0.301 43 S C -0.907 173.627 174.600 -0.110 0.000 1.092 43 S CA -0.454 57.668 58.200 -0.130 0.000 1.030 43 S CB 1.397 64.538 63.200 -0.098 0.000 1.031 43 S HN 0.481 nan 8.310 nan 0.000 0.483 44 L N 2.440 123.621 121.223 -0.071 0.000 2.346 44 L HA 0.669 5.009 4.340 -0.000 0.000 0.276 44 L C -0.072 176.795 176.870 -0.006 0.000 1.006 44 L CA -0.183 54.635 54.840 -0.038 0.000 0.817 44 L CB 2.147 44.220 42.059 0.023 0.000 1.272 44 L HN 0.550 nan 8.230 nan 0.000 0.421 45 T N 1.147 115.680 114.554 -0.036 0.000 2.921 45 T HA 0.732 5.081 4.350 -0.000 0.000 0.297 45 T C -0.177 174.605 174.700 0.137 0.000 1.013 45 T CA -0.777 61.356 62.100 0.055 0.000 0.990 45 T CB 1.854 70.769 68.868 0.078 0.000 1.023 45 T HN 0.744 nan 8.240 nan 0.000 0.447 46 G N 0.573 109.504 108.800 0.219 0.000 2.453 46 G HA2 0.700 4.660 3.960 -0.000 0.000 0.323 46 G HA3 0.700 4.660 3.960 -0.000 0.000 0.323 46 G C -0.986 174.069 174.900 0.258 0.000 1.198 46 G CA -0.568 44.703 45.100 0.286 0.000 0.959 46 G HN 0.751 nan 8.290 nan 0.000 0.482 47 T N -1.127 113.547 114.554 0.201 0.000 2.868 47 T HA 0.469 4.819 4.350 -0.000 0.000 0.306 47 T C -1.047 173.649 174.700 -0.008 0.000 1.224 47 T CA -0.369 61.759 62.100 0.046 0.000 1.012 47 T CB 2.000 70.820 68.868 -0.081 0.000 1.221 47 T HN 0.589 nan 8.240 nan 0.000 0.499 48 D N 2.585 122.974 120.400 -0.018 0.000 2.599 48 D HA 0.233 4.872 4.640 -0.000 0.000 0.249 48 D C 1.436 177.709 176.300 -0.044 0.000 1.313 48 D CA -0.203 53.784 54.000 -0.023 0.000 0.815 48 D CB -0.565 40.242 40.800 0.012 0.000 1.077 48 D HN 0.633 nan 8.370 nan 0.000 0.492 49 L N -1.115 120.062 121.223 -0.077 0.000 4.982 49 L HA -0.309 4.031 4.340 -0.000 0.000 0.402 49 L C 1.446 178.284 176.870 -0.054 0.000 0.863 49 L CA 1.683 56.477 54.840 -0.077 0.000 1.876 49 L CB -1.283 40.736 42.059 -0.067 0.000 1.554 49 L HN 0.291 nan 8.230 nan 0.000 0.603 50 E N 0.270 120.446 120.200 -0.040 0.000 2.290 50 E HA 0.156 4.506 4.350 -0.000 0.000 0.199 50 E C 0.791 177.346 176.600 -0.076 0.000 0.912 50 E CA 0.703 57.081 56.400 -0.037 0.000 0.924 50 E CB 0.482 30.183 29.700 0.002 0.000 0.901 50 E HN 0.501 nan 8.360 nan 0.000 0.487 51 M N -0.122 119.437 119.600 -0.068 0.000 2.704 51 M HA 0.525 5.005 4.480 -0.000 0.000 0.284 51 M C -1.543 174.706 176.300 -0.084 0.000 1.275 51 M CA -0.864 54.351 55.300 -0.142 0.000 0.811 51 M CB 2.311 34.842 32.600 -0.115 0.000 1.741 51 M HN -0.105 nan 8.290 nan 0.000 0.458 52 E N 1.267 121.390 120.200 -0.129 0.000 2.390 52 E HA 0.701 5.051 4.350 -0.000 0.000 0.277 52 E C -1.909 174.716 176.600 0.041 0.000 0.939 52 E CA -0.998 55.404 56.400 0.002 0.000 0.769 52 E CB 2.777 32.498 29.700 0.035 0.000 1.251 52 E HN 0.767 nan 8.360 nan 0.000 0.450 53 M N 2.389 122.074 119.600 0.142 0.000 2.395 53 M HA 0.486 4.966 4.480 -0.000 0.000 0.307 53 M C -2.267 174.141 176.300 0.180 0.000 1.091 53 M CA -0.646 54.779 55.300 0.208 0.000 0.919 53 M CB 2.222 34.961 32.600 0.232 0.000 1.662 53 M HN 0.454 nan 8.290 nan 0.000 0.440 54 V N 3.980 124.006 119.914 0.186 0.000 2.588 54 V HA 0.974 5.094 4.120 -0.000 0.000 0.304 54 V C -0.585 175.587 176.094 0.130 0.000 1.042 54 V CA -0.613 61.763 62.300 0.127 0.000 0.877 54 V CB 1.499 33.373 31.823 0.085 0.000 0.996 54 V HN 1.026 nan 8.190 nan 0.000 0.425 55 A N 5.509 128.360 122.820 0.051 0.000 2.365 55 A HA 0.930 5.250 4.320 -0.000 0.000 0.318 55 A C -0.560 176.917 177.584 -0.178 0.000 1.091 55 A CA -0.837 51.125 52.037 -0.125 0.000 0.763 55 A CB 1.475 20.424 19.000 -0.086 0.000 1.248 55 A HN 0.696 nan 8.150 nan 0.000 0.442 56 R N 1.032 121.371 120.500 -0.269 0.000 2.562 56 R HA 0.614 4.954 4.340 -0.000 0.000 0.298 56 R C -1.571 174.599 176.300 -0.217 0.000 0.961 56 R CA -0.614 55.365 56.100 -0.203 0.000 0.881 56 R CB 1.905 32.102 30.300 -0.172 0.000 1.159 56 R HN 0.415 nan 8.270 nan 0.000 0.450 57 V N 2.147 121.954 119.914 -0.179 0.000 2.443 57 V HA 0.366 4.486 4.120 -0.000 0.000 0.293 57 V C 0.205 176.216 176.094 -0.138 0.000 1.021 57 V CA -1.037 61.181 62.300 -0.137 0.000 0.848 57 V CB 1.606 33.350 31.823 -0.132 0.000 0.998 57 V HN 0.922 nan 8.190 nan 0.000 0.424 58 A N 6.169 128.938 122.820 -0.086 0.000 2.462 58 A HA 0.662 4.982 4.320 -0.000 0.000 0.243 58 A C -0.403 177.105 177.584 -0.126 0.000 1.076 58 A CA 0.048 52.025 52.037 -0.100 0.000 0.773 58 A CB 0.158 19.127 19.000 -0.053 0.000 1.010 58 A HN 0.807 nan 8.150 nan 0.000 0.493 59 L N 2.920 124.051 121.223 -0.153 0.000 2.333 59 L HA 0.434 4.774 4.340 -0.000 0.000 0.280 59 L C 0.745 177.602 176.870 -0.022 0.000 1.004 59 L CA -0.620 54.144 54.840 -0.126 0.000 0.820 59 L CB 1.940 43.838 42.059 -0.267 0.000 1.247 59 L HN 0.694 nan 8.230 nan 0.000 0.416 60 V N -0.928 118.983 119.914 -0.006 0.000 3.556 60 V HA 0.269 4.389 4.120 -0.000 0.000 0.287 60 V C 0.521 176.645 176.094 0.050 0.000 1.422 60 V CA -0.124 62.186 62.300 0.017 0.000 1.038 60 V CB -0.011 31.788 31.823 -0.040 0.000 0.850 60 V HN 0.773 nan 8.190 nan 0.000 0.437 61 Q N 1.109 120.960 119.800 0.084 0.000 2.241 61 Q HA 0.518 4.857 4.340 -0.000 0.000 0.262 61 Q C -2.679 173.408 176.000 0.145 0.000 1.014 61 Q CA -2.254 53.599 55.803 0.084 0.000 0.885 61 Q CB 0.942 29.725 28.738 0.076 0.000 1.311 61 Q HN 0.162 nan 8.270 nan 0.000 0.461 62 P HA -0.062 nan 4.420 nan 0.000 0.265 62 P C -1.119 176.202 177.300 0.036 0.000 1.187 62 P CA 0.641 63.712 63.100 -0.049 0.000 0.766 62 P CB 0.379 32.052 31.700 -0.044 0.000 0.820 63 H N -0.446 118.653 119.070 0.048 0.000 3.017 63 H HA 0.560 5.116 4.556 -0.000 0.000 0.346 63 H C -1.163 174.197 175.328 0.052 0.000 1.286 63 H CA -0.968 55.126 56.048 0.076 0.000 1.120 63 H CB 1.739 31.560 29.762 0.098 0.000 1.860 63 H HN 0.360 nan 8.280 nan 0.000 0.542 64 E N 1.150 121.476 120.200 0.210 0.000 2.272 64 E HA 0.327 4.677 4.350 -0.000 0.000 0.269 64 E C -2.938 173.751 176.600 0.149 0.000 0.877 64 E CA -2.084 54.392 56.400 0.128 0.000 0.755 64 E CB 3.031 32.771 29.700 0.066 0.000 1.192 64 E HN 0.316 nan 8.360 nan 0.000 0.422 65 P HA 0.354 nan 4.420 nan 0.000 0.274 65 P C -0.203 177.132 177.300 0.058 0.000 1.237 65 P CA -0.032 63.117 63.100 0.081 0.000 0.793 65 P CB 0.852 32.587 31.700 0.059 0.000 0.977 66 G N -1.000 107.824 108.800 0.040 0.000 2.356 66 G HA2 0.533 4.493 3.960 -0.000 0.000 0.300 66 G HA3 0.533 4.493 3.960 -0.000 0.000 0.300 66 G C -2.147 172.763 174.900 0.016 0.000 1.331 66 G CA 0.050 45.167 45.100 0.027 0.000 0.905 66 G HN 0.591 nan 8.290 nan 0.000 0.587 67 A N -1.234 121.589 122.820 0.004 0.000 2.594 67 A HA 1.041 5.361 4.320 -0.000 0.000 0.295 67 A C -0.363 177.205 177.584 -0.027 0.000 1.071 67 A CA 0.447 52.473 52.037 -0.018 0.000 0.685 67 A CB 1.811 20.794 19.000 -0.029 0.000 1.285 67 A HN 2.188 nan 8.150 nan 0.000 0.405 68 T N -0.541 113.979 114.554 -0.057 0.000 2.718 68 T HA 0.743 5.093 4.350 -0.000 0.000 0.306 68 T C -1.152 173.477 174.700 -0.118 0.000 1.485 68 T CA 0.421 62.482 62.100 -0.064 0.000 0.997 68 T CB 1.575 70.410 68.868 -0.054 0.000 1.504 68 T HN 2.046 nan 8.240 nan 0.000 0.497 69 T N -0.297 114.200 114.554 -0.096 0.000 2.876 69 T HA 0.796 5.146 4.350 -0.000 0.000 0.289 69 T C -0.526 174.126 174.700 -0.080 0.000 1.014 69 T CA -0.378 61.645 62.100 -0.127 0.000 0.986 69 T CB 1.071 69.893 68.868 -0.078 0.000 1.021 69 T HN 1.198 nan 8.240 nan 0.000 0.458 70 V N -0.924 118.932 119.914 -0.097 0.000 3.078 70 V HA 0.832 4.951 4.120 -0.000 0.000 0.311 70 V C -3.049 173.046 176.094 0.001 0.000 1.138 70 V CA -3.243 59.011 62.300 -0.077 0.000 1.007 70 V CB 1.754 33.459 31.823 -0.197 0.000 1.045 70 V HN 0.753 nan 8.190 nan 0.000 0.432 71 P HA 0.111 nan 4.420 nan 0.000 0.258 71 P C 0.754 178.140 177.300 0.144 0.000 1.187 71 P CA 0.883 64.037 63.100 0.090 0.000 0.767 71 P CB 0.894 32.645 31.700 0.085 0.000 0.770 72 A N 5.273 128.185 122.820 0.152 0.000 1.858 72 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 72 A C 2.279 180.002 177.584 0.231 0.000 1.190 72 A CA 1.898 54.053 52.037 0.196 0.000 0.617 72 A CB -0.826 18.261 19.000 0.146 0.000 0.827 72 A HN 0.392 nan 8.150 nan 0.000 0.443 73 R N 0.162 120.771 120.500 0.181 0.000 2.092 73 R HA -0.023 4.316 4.340 -0.000 0.000 0.231 73 R C 1.931 178.345 176.300 0.189 0.000 1.119 73 R CA 2.020 58.242 56.100 0.203 0.000 0.970 73 R CB -0.540 29.847 30.300 0.145 0.000 0.864 73 R HN 0.548 nan 8.270 nan 0.000 0.440 74 K N -0.751 119.739 120.400 0.149 0.000 2.032 74 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 74 K C 1.895 178.569 176.600 0.124 0.000 1.048 74 K CA 1.695 58.045 56.287 0.105 0.000 0.927 74 K CB -0.401 32.158 32.500 0.098 0.000 0.712 74 K HN 0.111 nan 8.250 nan 0.000 0.441 75 F N 0.887 120.852 119.950 0.026 0.000 2.134 75 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 75 F C 1.976 177.807 175.800 0.051 0.000 1.097 75 F CA 0.931 58.940 58.000 0.016 0.000 1.264 75 F CB -0.507 38.530 39.000 0.061 0.000 1.001 75 F HN -0.038 nan 8.300 nan 0.000 0.479 76 F N 1.476 121.379 119.950 -0.079 0.000 2.102 76 F HA -0.199 4.327 4.527 -0.000 0.000 0.298 76 F C 2.196 177.901 175.800 -0.158 0.000 1.105 76 F CA 2.151 60.057 58.000 -0.156 0.000 1.239 76 F CB -0.930 38.044 39.000 -0.043 0.000 0.991 76 F HN -0.075 nan 8.300 nan 0.000 0.474 77 D N 0.490 120.723 120.400 -0.278 0.000 2.144 77 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 77 D C 2.518 178.594 176.300 -0.373 0.000 0.984 77 D CA 1.483 55.260 54.000 -0.371 0.000 0.834 77 D CB -0.380 40.330 40.800 -0.151 0.000 0.955 77 D HN 0.365 nan 8.370 nan 0.000 0.465 78 I N 0.348 120.701 120.570 -0.363 0.000 2.142 78 I HA -0.309 3.860 4.170 -0.000 0.000 0.240 78 I C 2.408 178.268 176.117 -0.429 0.000 1.078 78 I CA 0.810 61.806 61.300 -0.508 0.000 1.343 78 I CB -0.184 37.416 38.000 -0.667 0.000 1.046 78 I HN 0.085 nan 8.210 nan 0.000 0.405 79 C N 0.189 119.220 119.300 -0.448 0.000 2.432 79 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 79 C C 2.960 177.760 174.990 -0.318 0.000 1.249 79 C CA 0.893 59.691 59.018 -0.366 0.000 1.725 79 C CB -1.216 26.274 27.740 -0.417 0.000 2.028 79 C HN 0.462 nan 8.230 nan 0.000 0.477 80 R N 0.898 121.111 120.500 -0.479 0.000 2.096 80 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 80 R C 2.172 178.312 176.300 -0.266 0.000 1.127 80 R CA 1.836 57.673 56.100 -0.437 0.000 0.968 80 R CB -0.601 29.243 30.300 -0.760 0.000 0.861 80 R HN 0.575 nan 8.270 nan 0.000 0.440 81 G N 0.723 109.372 108.800 -0.252 0.000 2.534 81 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.217 81 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.217 81 G C 0.643 175.495 174.900 -0.080 0.000 1.128 81 G CA -0.044 44.969 45.100 -0.146 0.000 0.784 81 G HN 0.124 nan 8.290 nan 0.000 0.542 82 L N 1.291 122.463 121.223 -0.085 0.000 2.439 82 L HA 0.298 4.637 4.340 -0.000 0.000 0.261 82 L C -1.642 175.215 176.870 -0.022 0.000 1.153 82 L CA -1.985 52.841 54.840 -0.023 0.000 0.808 82 L CB 1.086 43.136 42.059 -0.016 0.000 1.126 82 L HN -0.038 nan 8.230 nan 0.000 0.460 83 P HA 0.027 nan 4.420 nan 0.000 0.272 83 P C -0.818 176.481 177.300 -0.000 0.000 1.230 83 P CA -0.453 62.647 63.100 -0.000 0.000 0.788 83 P CB 0.466 32.171 31.700 0.009 0.000 0.949 84 E N 1.015 121.215 120.200 -0.000 0.000 2.608 84 E HA 0.189 4.538 4.350 -0.000 0.000 0.259 84 E C 1.380 177.989 176.600 0.016 0.000 0.951 84 E CA 1.740 58.143 56.400 0.007 0.000 0.945 84 E CB -0.849 28.855 29.700 0.007 0.000 0.916 84 E HN 0.763 nan 8.360 nan 0.000 0.477 85 G N 2.574 111.389 108.800 0.025 0.000 2.168 85 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.263 85 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.263 85 G C 0.435 175.356 174.900 0.033 0.000 0.977 85 G CA 0.275 45.396 45.100 0.035 0.000 0.659 85 G HN 0.958 nan 8.290 nan 0.000 0.533 86 A N -0.089 122.748 122.820 0.028 0.000 2.531 86 A HA 0.490 4.810 4.320 -0.000 0.000 0.236 86 A C 0.602 178.211 177.584 0.041 0.000 1.062 86 A CA 0.359 52.415 52.037 0.032 0.000 0.760 86 A CB 0.317 19.334 19.000 0.029 0.000 0.995 86 A HN 0.346 nan 8.150 nan 0.000 0.501 87 E N 1.331 121.556 120.200 0.042 0.000 2.200 87 E HA 0.417 4.767 4.350 -0.000 0.000 0.283 87 E C -0.756 175.877 176.600 0.056 0.000 1.015 87 E CA 0.090 56.520 56.400 0.049 0.000 0.819 87 E CB 1.232 30.956 29.700 0.039 0.000 1.081 87 E HN 0.501 nan 8.360 nan 0.000 0.397 88 I N 1.915 122.529 120.570 0.073 0.000 2.382 88 I HA 0.379 4.549 4.170 -0.000 0.000 0.286 88 I C -0.180 175.966 176.117 0.048 0.000 1.002 88 I CA -0.836 60.509 61.300 0.075 0.000 1.135 88 I CB 1.707 39.761 38.000 0.090 0.000 1.288 88 I HN 0.366 nan 8.210 nan 0.000 0.448 89 A N 6.670 129.490 122.820 0.001 0.000 2.304 89 A HA 0.828 5.148 4.320 -0.000 0.000 0.323 89 A C -0.692 176.788 177.584 -0.174 0.000 1.195 89 A CA -0.475 51.512 52.037 -0.083 0.000 0.826 89 A CB 1.273 20.251 19.000 -0.037 0.000 1.184 89 A HN 0.456 nan 8.150 nan 0.000 0.496 90 V N 2.226 121.888 119.914 -0.420 0.000 2.656 90 V HA 0.598 4.718 4.120 -0.000 0.000 0.307 90 V C -0.275 175.615 176.094 -0.339 0.000 1.051 90 V CA -0.452 61.569 62.300 -0.465 0.000 0.893 90 V CB 1.691 32.925 31.823 -0.982 0.000 0.999 90 V HN 0.989 nan 8.190 nan 0.000 0.426 91 Q N 2.852 122.542 119.800 -0.184 0.000 2.271 91 Q HA 0.542 4.881 4.340 -0.000 0.000 0.268 91 Q C -1.654 174.299 176.000 -0.078 0.000 1.021 91 Q CA -0.811 54.926 55.803 -0.109 0.000 0.802 91 Q CB 2.339 31.037 28.738 -0.068 0.000 1.282 91 Q HN 0.698 nan 8.270 nan 0.000 0.431 92 L N 3.369 124.560 121.223 -0.054 0.000 2.416 92 L HA 0.263 4.603 4.340 -0.000 0.000 0.272 92 L C -0.823 176.031 176.870 -0.025 0.000 1.161 92 L CA 1.054 55.871 54.840 -0.038 0.000 0.845 92 L CB 0.683 42.730 42.059 -0.020 0.000 1.119 92 L HN 0.732 nan 8.230 nan 0.000 0.464 93 E N 4.527 124.713 120.200 -0.022 0.000 3.352 93 E HA 0.375 4.724 4.350 -0.000 0.000 0.254 93 E C 0.545 177.139 176.600 -0.010 0.000 1.229 93 E CA 0.192 56.583 56.400 -0.015 0.000 0.949 93 E CB 0.473 30.165 29.700 -0.015 0.000 1.373 93 E HN 1.012 nan 8.360 nan 0.000 0.392 94 G N 3.164 111.959 108.800 -0.008 0.000 2.602 94 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.310 94 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.310 94 G C 0.908 175.805 174.900 -0.004 0.000 1.183 94 G CA 0.767 45.865 45.100 -0.004 0.000 0.979 94 G HN 0.607 nan 8.290 nan 0.000 0.545 95 E N 1.787 121.986 120.200 -0.001 0.000 2.511 95 E HA 0.093 4.443 4.350 -0.000 0.000 0.196 95 E C 1.128 177.728 176.600 -0.001 0.000 1.066 95 E CA 0.949 57.349 56.400 0.001 0.000 0.871 95 E CB -0.127 29.576 29.700 0.005 0.000 0.863 95 E HN 0.860 nan 8.360 nan 0.000 0.520 96 R N 0.109 120.605 120.500 -0.006 0.000 2.740 96 R HA 0.505 4.845 4.340 -0.000 0.000 0.273 96 R C -1.344 174.942 176.300 -0.022 0.000 0.998 96 R CA -1.048 55.047 56.100 -0.008 0.000 0.900 96 R CB 1.318 31.620 30.300 0.002 0.000 1.223 96 R HN 0.055 nan 8.270 nan 0.000 0.466 97 M N 3.408 122.989 119.600 -0.032 0.000 2.311 97 M HA 0.415 4.895 4.480 -0.000 0.000 0.325 97 M C -1.518 174.764 176.300 -0.030 0.000 1.061 97 M CA -0.916 54.349 55.300 -0.058 0.000 0.957 97 M CB 1.599 34.128 32.600 -0.119 0.000 1.646 97 M HN 0.568 nan 8.290 nan 0.000 0.434 98 L N 5.028 126.234 121.223 -0.029 0.000 2.322 98 L HA 0.703 5.043 4.340 -0.000 0.000 0.279 98 L C -0.969 175.911 176.870 0.017 0.000 1.036 98 L CA -0.953 53.893 54.840 0.010 0.000 0.807 98 L CB 1.885 43.941 42.059 -0.004 0.000 1.226 98 L HN 0.445 nan 8.230 nan 0.000 0.433 99 V N 3.441 123.423 119.914 0.115 0.000 2.588 99 V HA 0.561 4.681 4.120 -0.000 0.000 0.304 99 V C -0.419 175.798 176.094 0.205 0.000 1.042 99 V CA -0.702 61.702 62.300 0.174 0.000 0.877 99 V CB 2.192 34.200 31.823 0.308 0.000 0.996 99 V HN 0.742 nan 8.190 nan 0.000 0.425 100 R N 2.120 122.695 120.500 0.125 0.000 2.621 100 R HA 0.758 5.097 4.340 -0.000 0.000 0.284 100 R C -1.114 175.241 176.300 0.091 0.000 0.998 100 R CA -0.454 55.697 56.100 0.086 0.000 0.895 100 R CB 2.226 32.538 30.300 0.019 0.000 1.195 100 R HN 0.679 nan 8.270 nan 0.000 0.450 101 S N 1.282 117.041 115.700 0.098 0.000 2.668 101 S HA 0.558 5.028 4.470 -0.000 0.000 0.277 101 S C 0.439 175.070 174.600 0.052 0.000 1.170 101 S CA 0.383 58.631 58.200 0.080 0.000 0.994 101 S CB 1.278 64.543 63.200 0.109 0.000 1.051 101 S HN 0.934 nan 8.310 nan 0.000 0.484 102 G N 4.990 113.808 108.800 0.030 0.000 2.685 102 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.329 102 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.329 102 G C 0.208 175.107 174.900 -0.001 0.000 1.271 102 G CA 0.731 45.840 45.100 0.014 0.000 1.003 102 G HN 0.798 nan 8.290 nan 0.000 0.549 103 R N 0.748 121.241 120.500 -0.012 0.000 2.696 103 R HA 0.440 4.780 4.340 -0.000 0.000 0.355 103 R C -0.369 175.887 176.300 -0.072 0.000 1.138 103 R CA 0.258 56.336 56.100 -0.037 0.000 1.059 103 R CB 0.508 30.789 30.300 -0.032 0.000 1.380 103 R HN 0.303 nan 8.270 nan 0.000 0.578 104 S N 0.690 116.347 115.700 -0.072 0.000 2.454 104 S HA 0.530 4.999 4.470 -0.000 0.000 0.306 104 S C -0.300 174.109 174.600 -0.318 0.000 1.100 104 S CA -0.758 57.332 58.200 -0.183 0.000 1.087 104 S CB 2.074 65.285 63.200 0.019 0.000 1.019 104 S HN 0.238 nan 8.310 nan 0.000 0.480 105 R N 1.426 121.517 120.500 -0.683 0.000 2.621 105 R HA 0.648 4.988 4.340 -0.000 0.000 0.284 105 R C -1.698 174.104 176.300 -0.830 0.000 0.998 105 R CA -0.499 55.308 56.100 -0.489 0.000 0.895 105 R CB 1.509 31.666 30.300 -0.240 0.000 1.195 105 R HN 0.546 nan 8.270 nan 0.000 0.450 106 F N -0.369 119.591 119.950 0.016 0.000 2.599 106 F HA 0.525 5.051 4.527 -0.001 0.000 0.311 106 F C 0.049 175.860 175.800 0.018 0.000 1.076 106 F CA -0.906 57.109 58.000 0.026 0.000 0.937 106 F CB 2.523 41.554 39.000 0.051 0.000 1.282 106 F HN 0.250 nan 8.300 nan 0.000 0.460 107 S N 2.666 118.485 115.700 0.197 0.000 2.647 107 S HA 0.783 5.253 4.470 -0.000 0.000 0.300 107 S C -1.306 173.357 174.600 0.106 0.000 1.129 107 S CA -0.476 57.787 58.200 0.104 0.000 1.029 107 S CB 0.478 63.712 63.200 0.056 0.000 1.007 107 S HN 0.582 nan 8.310 nan 0.000 0.484 108 L N 2.911 124.176 121.223 0.069 0.000 2.334 108 L HA 0.584 4.923 4.340 -0.000 0.000 0.273 108 L C 0.480 177.361 176.870 0.017 0.000 1.013 108 L CA -0.837 54.031 54.840 0.046 0.000 0.816 108 L CB 1.982 44.054 42.059 0.022 0.000 1.278 108 L HN 0.567 nan 8.230 nan 0.000 0.431 109 S N 0.828 116.542 115.700 0.022 0.000 2.545 109 S HA 0.431 4.901 4.470 -0.000 0.000 0.275 109 S C -0.068 174.535 174.600 0.005 0.000 1.299 109 S CA -0.557 57.652 58.200 0.015 0.000 1.048 109 S CB 0.615 63.830 63.200 0.024 0.000 0.938 109 S HN 0.682 nan 8.310 nan 0.000 0.496 110 T N 3.007 117.561 114.554 -0.000 0.000 2.945 110 T HA 0.722 5.072 4.350 -0.000 0.000 0.286 110 T C -0.459 174.249 174.700 0.013 0.000 1.025 110 T CA -0.904 61.192 62.100 -0.006 0.000 1.039 110 T CB 0.749 69.605 68.868 -0.021 0.000 1.068 110 T HN 0.497 nan 8.240 nan 0.000 0.497 111 L N 1.281 122.517 121.223 0.022 0.000 2.354 111 L HA 0.544 4.884 4.340 -0.000 0.000 0.269 111 L C -2.582 174.312 176.870 0.040 0.000 1.005 111 L CA -2.909 51.955 54.840 0.040 0.000 0.819 111 L CB 2.406 44.505 42.059 0.067 0.000 1.311 111 L HN 0.448 nan 8.230 nan 0.000 0.423 112 P HA 0.031 nan 4.420 nan 0.000 0.268 112 P C 0.214 177.549 177.300 0.059 0.000 1.204 112 P CA -0.010 63.112 63.100 0.038 0.000 0.768 112 P CB 1.002 32.724 31.700 0.036 0.000 0.842 113 A N 4.679 127.519 122.820 0.033 0.000 1.927 113 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 113 A C 2.147 179.788 177.584 0.094 0.000 1.185 113 A CA 2.410 54.474 52.037 0.045 0.000 0.639 113 A CB -1.722 17.277 19.000 -0.001 0.000 0.820 113 A HN 0.561 nan 8.150 nan 0.000 0.451 114 A N -0.728 122.131 122.820 0.065 0.000 2.084 114 A HA -0.183 4.136 4.320 -0.000 0.000 0.221 114 A C 1.477 179.108 177.584 0.077 0.000 1.161 114 A CA 1.965 54.040 52.037 0.063 0.000 0.653 114 A CB -0.425 18.600 19.000 0.041 0.000 0.802 114 A HN 0.483 nan 8.150 nan 0.000 0.457 115 D N -2.288 118.170 120.400 0.095 0.000 2.349 115 D HA 0.177 4.817 4.640 -0.000 0.000 0.214 115 D C -0.061 176.308 176.300 0.116 0.000 1.063 115 D CA -0.181 53.870 54.000 0.084 0.000 0.847 115 D CB -0.077 40.764 40.800 0.068 0.000 0.933 115 D HN 0.388 nan 8.370 nan 0.000 0.513 116 F N 2.266 122.221 119.950 0.008 0.000 2.484 116 F HA 0.254 4.780 4.527 -0.000 0.000 0.360 116 F C -1.868 173.937 175.800 0.010 0.000 1.101 116 F CA -2.197 55.809 58.000 0.009 0.000 1.251 116 F CB 0.607 39.613 39.000 0.010 0.000 1.132 116 F HN -0.228 nan 8.300 nan 0.000 0.570 117 P HA 0.068 nan 4.420 nan 0.000 0.268 117 P C -1.454 175.765 177.300 -0.136 0.000 1.205 117 P CA 0.009 62.938 63.100 -0.286 0.000 0.771 117 P CB 0.353 31.817 31.700 -0.394 0.000 0.858 118 N N 2.386 121.069 118.700 -0.028 0.000 2.573 118 N HA 0.265 5.005 4.740 -0.000 0.000 0.262 118 N C -0.664 174.861 175.510 0.025 0.000 1.029 118 N CA -0.487 52.589 53.050 0.042 0.000 0.882 118 N CB 0.387 38.913 38.487 0.065 0.000 1.204 118 N HN 0.242 nan 8.380 nan 0.000 0.519 119 L N 1.935 123.175 121.223 0.028 0.000 2.485 119 L HA 0.065 4.405 4.340 -0.000 0.000 0.275 119 L C 0.332 177.245 176.870 0.073 0.000 1.207 119 L CA -0.038 54.821 54.840 0.032 0.000 0.855 119 L CB 0.247 42.324 42.059 0.031 0.000 1.114 119 L HN 0.510 nan 8.230 nan 0.000 0.485 120 D N 1.608 122.056 120.400 0.080 0.000 2.399 120 D HA 0.049 4.689 4.640 -0.000 0.000 0.241 120 D C -0.230 176.178 176.300 0.179 0.000 1.133 120 D CA -0.225 53.835 54.000 0.100 0.000 0.890 120 D CB 0.516 41.367 40.800 0.086 0.000 1.201 120 D HN 0.324 nan 8.370 nan 0.000 0.432 121 D N 1.162 121.629 120.400 0.111 0.000 2.419 121 D HA 0.112 4.751 4.640 -0.000 0.000 0.236 121 D C 0.242 176.643 176.300 0.168 0.000 1.165 121 D CA 0.357 54.392 54.000 0.058 0.000 0.882 121 D CB 0.451 41.242 40.800 -0.014 0.000 1.201 121 D HN 0.348 nan 8.370 nan 0.000 0.443 122 W N -0.001 121.286 121.300 -0.021 0.000 3.025 122 W HA 0.427 5.086 4.660 -0.000 0.000 0.343 122 W C -1.232 175.275 176.519 -0.020 0.000 1.246 122 W CA -0.875 56.457 57.345 -0.021 0.000 1.178 122 W CB 0.657 30.098 29.460 -0.031 0.000 1.463 122 W HN 0.131 nan 8.180 nan 0.000 0.578 123 Q N 2.246 122.186 119.800 0.232 0.000 2.316 123 Q HA 0.427 4.767 4.340 -0.000 0.000 0.264 123 Q C -0.210 175.921 176.000 0.219 0.000 0.987 123 Q CA -0.304 55.533 55.803 0.057 0.000 0.852 123 Q CB 1.833 30.615 28.738 0.073 0.000 1.287 123 Q HN 0.459 nan 8.270 nan 0.000 0.448 124 S N 2.750 118.453 115.700 0.005 0.000 2.576 124 S HA 0.205 4.675 4.470 -0.000 0.000 0.276 124 S C 0.250 174.923 174.600 0.120 0.000 1.339 124 S CA -0.293 58.001 58.200 0.156 0.000 1.039 124 S CB 1.025 64.227 63.200 0.004 0.000 0.902 124 S HN 0.795 nan 8.310 nan 0.000 0.516 125 E N 0.473 120.742 120.200 0.116 0.000 2.372 125 E HA 0.239 4.588 4.350 -0.000 0.000 0.201 125 E C -0.033 176.596 176.600 0.048 0.000 0.938 125 E CA 0.188 56.647 56.400 0.098 0.000 0.944 125 E CB 1.024 30.829 29.700 0.174 0.000 0.937 125 E HN 0.463 nan 8.360 nan 0.000 0.495 126 V N 1.135 121.025 119.914 -0.039 0.000 3.049 126 V HA 0.334 4.454 4.120 -0.000 0.000 0.309 126 V C -1.942 174.198 176.094 0.077 0.000 1.148 126 V CA -0.561 61.761 62.300 0.035 0.000 0.990 126 V CB 2.225 34.058 31.823 0.017 0.000 1.039 126 V HN 0.022 nan 8.190 nan 0.000 0.430 127 E N 5.067 125.352 120.200 0.142 0.000 2.321 127 E HA 0.666 5.016 4.350 -0.000 0.000 0.278 127 E C -1.844 174.875 176.600 0.199 0.000 0.902 127 E CA -0.409 56.022 56.400 0.051 0.000 0.758 127 E CB 2.525 32.228 29.700 0.005 0.000 1.213 127 E HN 0.594 nan 8.360 nan 0.000 0.426 128 F N -1.563 118.392 119.950 0.009 0.000 2.711 128 F HA 0.680 5.207 4.527 -0.000 0.000 0.313 128 F C -0.551 175.263 175.800 0.024 0.000 1.141 128 F CA -1.097 56.914 58.000 0.018 0.000 0.941 128 F CB 1.045 40.057 39.000 0.019 0.000 1.349 128 F HN 0.275 nan 8.300 nan 0.000 0.464 129 T N 0.632 115.304 114.554 0.197 0.000 2.940 129 T HA 0.876 5.226 4.350 -0.000 0.000 0.288 129 T C -0.866 173.961 174.700 0.211 0.000 1.033 129 T CA -0.668 61.499 62.100 0.111 0.000 1.033 129 T CB 1.820 70.734 68.868 0.076 0.000 1.079 129 T HN 1.387 nan 8.240 nan 0.000 0.496 130 L N -1.532 119.781 121.223 0.151 0.000 2.518 130 L HA 0.786 5.126 4.340 -0.000 0.000 0.257 130 L C -3.328 173.596 176.870 0.091 0.000 0.980 130 L CA -2.829 52.100 54.840 0.148 0.000 0.837 130 L CB 1.542 43.726 42.059 0.209 0.000 1.410 130 L HN 0.334 nan 8.230 nan 0.000 0.410 131 P HA 0.093 nan 4.420 nan 0.000 0.264 131 P C 0.011 177.341 177.300 0.051 0.000 1.183 131 P CA 0.096 63.228 63.100 0.053 0.000 0.763 131 P CB 0.673 32.400 31.700 0.044 0.000 0.807 132 Q N 2.554 122.377 119.800 0.038 0.000 2.112 132 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 132 Q C 2.027 178.042 176.000 0.026 0.000 0.987 132 Q CA 2.062 57.882 55.803 0.028 0.000 0.858 132 Q CB -0.517 28.232 28.738 0.018 0.000 0.905 132 Q HN 0.584 nan 8.270 nan 0.000 0.420 133 A N 0.354 123.189 122.820 0.025 0.000 1.978 133 A HA -0.203 4.116 4.320 -0.000 0.000 0.220 133 A C 2.188 179.789 177.584 0.028 0.000 1.170 133 A CA 1.940 53.990 52.037 0.022 0.000 0.636 133 A CB -0.740 18.272 19.000 0.020 0.000 0.810 133 A HN 0.340 nan 8.150 nan 0.000 0.448 134 T N -0.712 113.865 114.554 0.038 0.000 2.812 134 T HA -0.126 4.224 4.350 -0.000 0.000 0.264 134 T C 1.920 176.651 174.700 0.050 0.000 1.042 134 T CA 1.756 63.882 62.100 0.043 0.000 1.140 134 T CB -0.244 68.657 68.868 0.055 0.000 0.870 134 T HN 0.431 nan 8.240 nan 0.000 0.445 135 M N 1.540 121.180 119.600 0.067 0.000 2.117 135 M HA 0.043 4.523 4.480 -0.000 0.000 0.262 135 M C 2.029 178.361 176.300 0.053 0.000 1.065 135 M CA 1.599 56.950 55.300 0.085 0.000 1.114 135 M CB -0.417 32.234 32.600 0.085 0.000 1.361 135 M HN 0.015 nan 8.290 nan 0.000 0.408 136 K N -0.734 119.683 120.400 0.030 0.000 2.032 136 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 136 K C 2.364 178.975 176.600 0.018 0.000 1.048 136 K CA 1.303 57.600 56.287 0.016 0.000 0.927 136 K CB -0.267 32.237 32.500 0.007 0.000 0.712 136 K HN 0.171 nan 8.250 nan 0.000 0.441 137 R N 1.249 121.761 120.500 0.020 0.000 2.097 137 R HA -0.158 4.182 4.340 -0.000 0.000 0.236 137 R C 2.290 178.595 176.300 0.007 0.000 1.135 137 R CA 1.716 57.828 56.100 0.019 0.000 0.934 137 R CB -0.974 29.337 30.300 0.017 0.000 0.846 137 R HN 0.309 nan 8.270 nan 0.000 0.431 138 L N 0.160 121.379 121.223 -0.008 0.000 2.012 138 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 138 L C 2.558 179.375 176.870 -0.089 0.000 1.073 138 L CA 1.458 56.261 54.840 -0.060 0.000 0.748 138 L CB -0.347 41.679 42.059 -0.055 0.000 0.891 138 L HN 0.198 nan 8.230 nan 0.000 0.431 139 I N -0.825 119.725 120.570 -0.034 0.000 2.233 139 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 139 I C 2.422 178.536 176.117 -0.005 0.000 1.093 139 I CA 1.072 62.353 61.300 -0.031 0.000 1.380 139 I CB -0.310 37.704 38.000 0.024 0.000 1.067 139 I HN 0.219 nan 8.210 nan 0.000 0.413 140 E N 1.145 121.360 120.200 0.026 0.000 2.118 140 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 140 E C 2.288 178.971 176.600 0.138 0.000 0.992 140 E CA 1.306 57.747 56.400 0.069 0.000 0.804 140 E CB -0.201 29.530 29.700 0.051 0.000 0.741 140 E HN 0.516 nan 8.360 nan 0.000 0.458 141 A N 0.798 123.686 122.820 0.114 0.000 2.125 141 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 141 A C 2.182 179.908 177.584 0.237 0.000 1.156 141 A CA 1.958 54.121 52.037 0.210 0.000 0.671 141 A CB -0.326 18.737 19.000 0.106 0.000 0.794 141 A HN 0.397 nan 8.150 nan 0.000 0.459 142 T N -5.182 109.381 114.554 0.016 0.000 2.992 142 T HA 0.094 4.444 4.350 -0.000 0.000 0.255 142 T C 1.672 176.171 174.700 -0.334 0.000 0.938 142 T CA 0.627 62.587 62.100 -0.234 0.000 0.895 142 T CB -0.309 68.385 68.868 -0.290 0.000 1.221 142 T HN 0.339 nan 8.240 nan 0.000 0.512 143 Q N 1.183 120.909 119.800 -0.125 0.000 2.096 143 Q HA -0.181 4.159 4.340 -0.000 0.000 0.208 143 Q C 1.974 177.933 176.000 -0.069 0.000 0.993 143 Q CA 2.460 58.221 55.803 -0.071 0.000 0.862 143 Q CB -0.630 28.120 28.738 0.019 0.000 0.915 143 Q HN 0.795 nan 8.270 nan 0.000 0.416 144 F N -0.832 119.124 119.950 0.010 0.000 2.307 144 F HA -0.048 4.479 4.527 -0.000 0.000 0.301 144 F C 1.742 177.551 175.800 0.015 0.000 1.076 144 F CA 1.145 59.152 58.000 0.012 0.000 1.383 144 F CB -0.490 38.513 39.000 0.005 0.000 1.055 144 F HN -0.099 nan 8.300 nan 0.000 0.526 145 S N 0.205 115.506 115.700 -0.665 0.000 2.575 145 S HA 0.216 4.686 4.470 -0.000 0.000 0.215 145 S C 0.825 175.309 174.600 -0.193 0.000 0.966 145 S CA -0.302 57.636 58.200 -0.437 0.000 0.911 145 S CB -0.356 62.479 63.200 -0.609 0.000 0.780 145 S HN 0.261 nan 8.310 nan 0.000 0.514 146 M N 1.971 121.489 119.600 -0.137 0.000 2.252 146 M HA 0.153 4.633 4.480 -0.000 0.000 0.333 146 M C 0.488 176.782 176.300 -0.009 0.000 1.111 146 M CA -0.238 55.033 55.300 -0.047 0.000 1.140 146 M CB 0.310 32.895 32.600 -0.025 0.000 1.538 146 M HN 0.197 nan 8.290 nan 0.000 0.448 147 A N 2.741 125.561 122.820 -0.001 0.000 2.462 147 A HA 0.518 4.838 4.320 -0.000 0.000 0.243 147 A C -0.025 177.576 177.584 0.029 0.000 1.076 147 A CA -0.394 51.652 52.037 0.014 0.000 0.773 147 A CB 0.034 19.026 19.000 -0.013 0.000 1.010 147 A HN 0.884 nan 8.150 nan 0.000 0.493 148 A N 2.414 125.260 122.820 0.043 0.000 2.366 148 A HA 0.612 4.931 4.320 -0.000 0.000 0.322 148 A C 1.024 178.630 177.584 0.037 0.000 1.397 148 A CA 0.366 52.428 52.037 0.042 0.000 0.984 148 A CB -0.954 18.075 19.000 0.048 0.000 1.149 148 A HN 2.713 nan 8.150 nan 0.000 0.540 149 A N 1.241 124.082 122.820 0.035 0.000 2.846 149 A HA 0.123 4.443 4.320 -0.000 0.000 0.287 149 A C 0.872 178.467 177.584 0.017 0.000 1.469 149 A CA 0.753 52.807 52.037 0.029 0.000 0.757 149 A CB -2.072 16.943 19.000 0.024 0.000 1.033 149 A HN 2.559 nan 8.150 nan 0.000 0.516 150 A N -0.539 122.284 122.820 0.004 0.000 2.466 150 A HA 0.678 4.998 4.320 -0.000 0.000 0.238 150 A C 1.702 179.265 177.584 -0.035 0.000 1.074 150 A CA 0.728 52.749 52.037 -0.027 0.000 0.774 150 A CB -0.078 18.871 19.000 -0.084 0.000 1.015 150 A HN 2.091 nan 8.150 nan 0.000 0.498 151 A N 2.015 124.810 122.820 -0.041 0.000 1.908 151 A HA 0.229 4.549 4.320 -0.000 0.000 0.218 151 A C 1.606 179.148 177.584 -0.070 0.000 1.181 151 A CA 1.648 53.661 52.037 -0.040 0.000 0.627 151 A CB -0.854 18.131 19.000 -0.025 0.000 0.818 151 A HN 1.999 nan 8.150 nan 0.000 0.445 152 A N -0.865 121.853 122.820 -0.170 0.000 2.666 152 A HA 0.383 4.703 4.320 -0.000 0.000 0.301 152 A C 0.708 178.043 177.584 -0.415 0.000 1.470 152 A CA -0.263 51.542 52.037 -0.388 0.000 1.159 152 A CB -0.903 17.664 19.000 -0.721 0.000 1.116 152 A HN 0.601 nan 8.150 nan 0.000 0.548 153 Y N 2.722 122.864 120.300 -0.263 0.000 2.133 153 Y HA -0.448 4.102 4.550 -0.000 0.000 0.279 153 Y C 1.893 177.729 175.900 -0.106 0.000 1.209 153 Y CA 2.571 60.597 58.100 -0.123 0.000 1.152 153 Y CB -0.248 38.209 38.460 -0.005 0.000 0.961 153 Y HN 0.947 nan 8.280 nan 0.000 0.512 154 Y N -1.571 118.732 120.300 0.004 0.000 2.574 154 Y HA -0.079 4.471 4.550 -0.000 0.000 0.294 154 Y C 1.582 177.480 175.900 -0.003 0.000 1.142 154 Y CA 0.707 58.764 58.100 -0.071 0.000 1.314 154 Y CB -1.096 37.340 38.460 -0.040 0.000 0.991 154 Y HN 0.095 nan 8.280 nan 0.000 0.555 155 L N 0.512 121.564 121.223 -0.285 0.000 2.446 155 L HA 0.055 4.395 4.340 -0.000 0.000 0.219 155 L C 0.433 177.295 176.870 -0.013 0.000 1.116 155 L CA 0.423 55.193 54.840 -0.117 0.000 0.844 155 L CB -0.369 41.541 42.059 -0.248 0.000 0.970 155 L HN 0.249 nan 8.230 nan 0.000 0.457 156 N N 0.716 119.402 118.700 -0.023 0.000 2.623 156 N HA 0.209 4.949 4.740 -0.000 0.000 0.263 156 N C 0.268 175.790 175.510 0.020 0.000 1.218 156 N CA -0.186 52.877 53.050 0.022 0.000 0.949 156 N CB 0.337 38.872 38.487 0.079 0.000 1.270 156 N HN 0.240 nan 8.380 nan 0.000 0.507 157 G N -0.075 108.751 108.800 0.043 0.000 2.649 157 G HA2 0.490 4.450 3.960 -0.000 0.000 0.290 157 G HA3 0.490 4.450 3.960 -0.000 0.000 0.290 157 G C -1.718 173.211 174.900 0.048 0.000 1.426 157 G CA -0.722 44.401 45.100 0.038 0.000 0.794 157 G HN 0.105 nan 8.290 nan 0.000 0.483 158 M N 1.229 120.830 119.600 0.001 0.000 2.243 158 M HA 0.610 5.090 4.480 -0.000 0.000 0.324 158 M C -1.139 175.021 176.300 -0.232 0.000 1.031 158 M CA -0.973 54.247 55.300 -0.134 0.000 0.949 158 M CB 1.712 34.262 32.600 -0.082 0.000 1.615 158 M HN 0.491 nan 8.290 nan 0.000 0.430 159 L N 5.390 126.219 121.223 -0.656 0.000 2.410 159 L HA 0.415 4.754 4.340 -0.000 0.000 0.273 159 L C -1.784 174.818 176.870 -0.445 0.000 1.144 159 L CA 0.772 55.214 54.840 -0.662 0.000 0.863 159 L CB 0.174 41.483 42.059 -1.250 0.000 1.140 159 L HN 0.565 nan 8.230 nan 0.000 0.463 160 F N 3.948 123.763 119.950 -0.225 0.000 2.444 160 F HA 0.503 5.030 4.527 -0.000 0.000 0.342 160 F C 0.180 175.933 175.800 -0.078 0.000 1.121 160 F CA -0.491 57.435 58.000 -0.123 0.000 0.997 160 F CB 1.469 40.441 39.000 -0.047 0.000 1.130 160 F HN 0.479 nan 8.300 nan 0.000 0.454 161 E N 1.588 121.815 120.200 0.044 0.000 2.246 161 E HA 0.386 4.736 4.350 -0.000 0.000 0.266 161 E C -1.095 175.515 176.600 0.017 0.000 0.880 161 E CA -0.694 55.731 56.400 0.041 0.000 0.762 161 E CB 1.472 31.180 29.700 0.014 0.000 1.180 161 E HN 0.624 nan 8.360 nan 0.000 0.416 162 T N 1.358 115.929 114.554 0.028 0.000 2.829 162 T HA 0.528 4.877 4.350 -0.000 0.000 0.282 162 T C -0.228 174.460 174.700 -0.020 0.000 0.990 162 T CA -0.741 61.327 62.100 -0.055 0.000 1.028 162 T CB 1.403 70.210 68.868 -0.102 0.000 0.951 162 T HN 0.513 nan 8.240 nan 0.000 0.460 163 E N 2.018 122.189 120.200 -0.048 0.000 2.404 163 E HA 0.474 4.823 4.350 -0.000 0.000 0.298 163 E C 0.574 177.150 176.600 -0.039 0.000 0.908 163 E CA -0.068 56.315 56.400 -0.028 0.000 0.808 163 E CB 0.402 30.092 29.700 -0.017 0.000 1.380 163 E HN 1.243 nan 8.360 nan 0.000 0.392 164 G N 4.153 112.934 108.800 -0.032 0.000 2.574 164 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.286 164 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.286 164 G C 0.541 175.413 174.900 -0.048 0.000 1.212 164 G CA 0.383 45.465 45.100 -0.030 0.000 0.979 164 G HN 0.642 nan 8.290 nan 0.000 0.557 165 E N 1.399 121.574 120.200 -0.042 0.000 2.365 165 E HA 0.218 4.568 4.350 -0.000 0.000 0.188 165 E C 0.249 176.809 176.600 -0.067 0.000 1.102 165 E CA 0.306 56.676 56.400 -0.050 0.000 0.927 165 E CB -0.192 29.491 29.700 -0.028 0.000 1.073 165 E HN 0.459 nan 8.360 nan 0.000 0.467 166 E N 0.532 120.682 120.200 -0.082 0.000 2.317 166 E HA 0.329 4.679 4.350 -0.000 0.000 0.270 166 E C -1.256 175.272 176.600 -0.121 0.000 0.885 166 E CA -0.810 55.540 56.400 -0.083 0.000 0.760 166 E CB 2.343 32.011 29.700 -0.054 0.000 1.227 166 E HN 0.142 nan 8.360 nan 0.000 0.434 167 L N 2.925 124.078 121.223 -0.116 0.000 2.322 167 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 167 L C -0.680 176.137 176.870 -0.088 0.000 1.014 167 L CA -0.539 54.233 54.840 -0.113 0.000 0.815 167 L CB 1.289 43.292 42.059 -0.092 0.000 1.247 167 L HN 0.525 nan 8.230 nan 0.000 0.421 168 R N 2.368 122.806 120.500 -0.104 0.000 2.744 168 R HA 0.653 4.993 4.340 -0.000 0.000 0.279 168 R C -1.369 174.755 176.300 -0.294 0.000 0.977 168 R CA -0.415 55.587 56.100 -0.163 0.000 0.906 168 R CB 2.158 32.387 30.300 -0.118 0.000 1.197 168 R HN 0.664 nan 8.270 nan 0.000 0.463 169 T N 0.004 114.319 114.554 -0.398 0.000 2.856 169 T HA 0.665 5.015 4.350 -0.000 0.000 0.283 169 T C -0.570 173.801 174.700 -0.548 0.000 1.008 169 T CA -0.698 61.039 62.100 -0.605 0.000 0.997 169 T CB 1.787 70.249 68.868 -0.677 0.000 0.992 169 T HN 0.273 nan 8.240 nan 0.000 0.454 170 V N 0.680 120.218 119.914 -0.625 0.000 2.760 170 V HA 0.905 5.024 4.120 -0.000 0.000 0.309 170 V C -0.327 175.500 176.094 -0.446 0.000 1.077 170 V CA -1.058 60.882 62.300 -0.599 0.000 0.910 170 V CB 1.520 32.850 31.823 -0.823 0.000 1.008 170 V HN 1.431 nan 8.190 nan 0.000 0.424 171 A N 2.160 124.833 122.820 -0.244 0.000 2.486 171 A HA 0.957 5.277 4.320 -0.000 0.000 0.300 171 A C -0.633 176.931 177.584 -0.033 0.000 1.048 171 A CA -0.467 51.526 52.037 -0.073 0.000 0.696 171 A CB 2.309 21.195 19.000 -0.190 0.000 1.278 171 A HN 0.999 nan 8.150 nan 0.000 0.405 172 T N -0.085 114.505 114.554 0.061 0.000 2.889 172 T HA 0.519 4.869 4.350 -0.000 0.000 0.315 172 T C -1.366 173.299 174.700 -0.059 0.000 1.291 172 T CA 0.151 62.227 62.100 -0.041 0.000 1.028 172 T CB 1.523 70.364 68.868 -0.045 0.000 1.235 172 T HN 0.827 nan 8.240 nan 0.000 0.491 173 D N 0.874 121.220 120.400 -0.090 0.000 2.501 173 D HA 0.368 5.007 4.640 -0.000 0.000 0.224 173 D C 1.417 177.619 176.300 -0.165 0.000 1.202 173 D CA 0.539 54.493 54.000 -0.077 0.000 0.829 173 D CB -0.008 40.793 40.800 0.001 0.000 1.023 173 D HN 1.128 nan 8.370 nan 0.000 0.499 174 G N 0.347 109.013 108.800 -0.223 0.000 2.234 174 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.235 174 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.235 174 G C 0.956 175.574 174.900 -0.470 0.000 0.997 174 G CA 0.322 45.198 45.100 -0.374 0.000 0.623 174 G HN 0.471 nan 8.290 nan 0.000 0.514 175 H N -0.039 118.987 119.070 -0.074 0.000 2.800 175 H HA 0.262 4.818 4.556 -0.000 0.000 0.257 175 H C 1.401 176.627 175.328 -0.170 0.000 0.967 175 H CA 1.405 57.407 56.048 -0.075 0.000 1.192 175 H CB 0.873 30.602 29.762 -0.055 0.000 1.441 175 H HN 0.695 nan 8.280 nan 0.000 0.461 176 R N 0.326 120.729 120.500 -0.162 0.000 2.739 176 R HA 0.629 4.968 4.340 -0.000 0.000 0.271 176 R C -1.655 174.579 176.300 -0.108 0.000 1.010 176 R CA -0.815 55.194 56.100 -0.152 0.000 0.897 176 R CB 1.808 31.927 30.300 -0.301 0.000 1.236 176 R HN 0.047 nan 8.270 nan 0.000 0.466 177 L N 0.085 121.275 121.223 -0.056 0.000 2.393 177 L HA 0.973 5.313 4.340 -0.000 0.000 0.260 177 L C -1.405 175.403 176.870 -0.104 0.000 1.002 177 L CA -0.675 54.115 54.840 -0.084 0.000 0.818 177 L CB 2.441 44.473 42.059 -0.045 0.000 1.369 177 L HN 1.024 nan 8.230 nan 0.000 0.412 178 A N 3.306 125.988 122.820 -0.231 0.000 2.414 178 A HA 0.802 5.122 4.320 -0.000 0.000 0.306 178 A C -1.756 175.549 177.584 -0.464 0.000 1.054 178 A CA -0.505 51.297 52.037 -0.391 0.000 0.724 178 A CB 2.013 20.796 19.000 -0.361 0.000 1.267 178 A HN 0.863 nan 8.150 nan 0.000 0.418 179 V N 1.600 121.178 119.914 -0.560 0.000 2.808 179 V HA 0.707 4.827 4.120 -0.000 0.000 0.308 179 V C -1.232 174.617 176.094 -0.407 0.000 1.099 179 V CA -0.389 61.631 62.300 -0.467 0.000 0.920 179 V CB 1.398 32.977 31.823 -0.408 0.000 1.014 179 V HN 1.581 nan 8.190 nan 0.000 0.425 180 C N 5.172 124.280 119.300 -0.319 0.000 2.609 180 C HA 0.907 5.366 4.460 -0.000 0.000 0.313 180 C C -0.230 174.657 174.990 -0.172 0.000 1.175 180 C CA -0.021 58.866 59.018 -0.218 0.000 1.434 180 C CB 1.261 28.895 27.740 -0.176 0.000 2.005 180 C HN 1.039 nan 8.230 nan 0.000 0.471 181 S N 6.217 121.848 115.700 -0.114 0.000 2.521 181 S HA 0.824 5.294 4.470 -0.000 0.000 0.295 181 S C -0.958 173.607 174.600 -0.058 0.000 1.098 181 S CA -0.643 57.506 58.200 -0.086 0.000 0.999 181 S CB 1.587 64.748 63.200 -0.064 0.000 1.034 181 S HN 0.759 nan 8.310 nan 0.000 0.483 182 M N 3.528 123.098 119.600 -0.050 0.000 2.457 182 M HA 0.460 4.940 4.480 -0.000 0.000 0.300 182 M C -2.903 173.379 176.300 -0.030 0.000 1.141 182 M CA -2.573 52.709 55.300 -0.029 0.000 0.901 182 M CB 1.763 34.354 32.600 -0.015 0.000 1.687 182 M HN 0.293 nan 8.290 nan 0.000 0.449 183 P HA 0.119 nan 4.420 nan 0.000 0.268 183 P C 0.039 177.330 177.300 -0.015 0.000 1.204 183 P CA -0.123 62.965 63.100 -0.020 0.000 0.768 183 P CB 1.187 32.882 31.700 -0.008 0.000 0.842 184 I N 1.401 121.954 120.570 -0.029 0.000 4.070 184 I HA 0.128 4.298 4.170 -0.000 0.000 0.328 184 I C 1.944 178.066 176.117 0.007 0.000 1.298 184 I CA 0.565 61.854 61.300 -0.018 0.000 1.173 184 I CB -1.346 36.598 38.000 -0.093 0.000 1.051 184 I HN 0.679 nan 8.210 nan 0.000 0.409 185 G N 1.200 110.001 108.800 0.000 0.000 2.189 185 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 185 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 185 G C 0.483 175.392 174.900 0.014 0.000 0.975 185 G CA 0.162 45.269 45.100 0.012 0.000 0.644 185 G HN 0.447 nan 8.290 nan 0.000 0.537 186 Q N -0.036 119.767 119.800 0.005 0.000 2.375 186 Q HA 0.570 4.910 4.340 -0.000 0.000 0.271 186 Q C -0.762 175.230 176.000 -0.013 0.000 1.074 186 Q CA -0.482 55.328 55.803 0.012 0.000 0.808 186 Q CB 1.890 30.651 28.738 0.039 0.000 1.327 186 Q HN 0.216 nan 8.270 nan 0.000 0.441 187 S N 2.314 118.013 115.700 -0.000 0.000 2.465 187 S HA 0.413 4.883 4.470 -0.000 0.000 0.279 187 S C -0.705 173.892 174.600 -0.004 0.000 1.201 187 S CA -0.506 57.690 58.200 -0.007 0.000 1.053 187 S CB 0.251 63.453 63.200 0.003 0.000 0.953 187 S HN 0.273 nan 8.310 nan 0.000 0.488 188 L N 4.564 125.773 121.223 -0.024 0.000 2.354 188 L HA 0.599 4.939 4.340 -0.000 0.000 0.269 188 L C -2.286 174.597 176.870 0.021 0.000 1.005 188 L CA -2.308 52.525 54.840 -0.011 0.000 0.819 188 L CB 0.684 42.684 42.059 -0.099 0.000 1.311 188 L HN 0.331 nan 8.230 nan 0.000 0.423 189 P HA 0.119 nan 4.420 nan 0.000 0.268 189 P C -0.850 176.511 177.300 0.102 0.000 1.208 189 P CA -0.200 62.958 63.100 0.096 0.000 0.777 189 P CB 0.302 32.112 31.700 0.183 0.000 0.875 190 S N 1.385 117.106 115.700 0.035 0.000 2.465 190 S HA 0.186 4.656 4.470 -0.000 0.000 0.280 190 S C -0.189 174.389 174.600 -0.038 0.000 1.232 190 S CA 0.040 58.245 58.200 0.008 0.000 1.066 190 S CB -0.625 62.557 63.200 -0.029 0.000 0.929 190 S HN 0.450 nan 8.310 nan 0.000 0.494 191 H N 0.604 119.683 119.070 0.015 0.000 2.768 191 H HA 0.628 5.184 4.556 -0.000 0.000 0.371 191 H C -0.742 174.604 175.328 0.030 0.000 1.151 191 H CA -0.265 55.802 56.048 0.030 0.000 1.165 191 H CB 1.860 31.654 29.762 0.054 0.000 1.722 191 H HN 0.550 nan 8.280 nan 0.000 0.543 192 S N 2.468 118.250 115.700 0.137 0.000 2.776 192 S HA 0.527 4.997 4.470 -0.000 0.000 0.284 192 S C -1.482 173.171 174.600 0.089 0.000 1.160 192 S CA -0.584 57.672 58.200 0.092 0.000 1.051 192 S CB 0.047 63.280 63.200 0.054 0.000 1.037 192 S HN 0.542 nan 8.310 nan 0.000 0.485 193 V N 2.833 122.797 119.914 0.084 0.000 2.962 193 V HA 0.734 4.854 4.120 -0.000 0.000 0.313 193 V C -0.844 175.267 176.094 0.029 0.000 1.099 193 V CA -1.029 61.303 62.300 0.052 0.000 0.971 193 V CB 1.768 33.610 31.823 0.033 0.000 1.028 193 V HN 0.752 nan 8.190 nan 0.000 0.430 194 I N 3.115 123.688 120.570 0.006 0.000 2.312 194 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 194 I C -0.275 175.840 176.117 -0.003 0.000 1.008 194 I CA -0.790 60.508 61.300 -0.003 0.000 1.226 194 I CB 1.662 39.679 38.000 0.029 0.000 1.371 194 I HN 0.444 nan 8.210 nan 0.000 0.468 195 V N 8.725 128.672 119.914 0.056 0.000 2.461 195 V HA 0.243 4.363 4.120 -0.000 0.000 0.275 195 V C -2.008 174.110 176.094 0.042 0.000 1.047 195 V CA -1.674 60.648 62.300 0.037 0.000 0.955 195 V CB 0.850 32.710 31.823 0.060 0.000 0.988 195 V HN 0.553 nan 8.190 nan 0.000 0.471 196 P HA 0.137 nan 4.420 nan 0.000 0.269 196 P C 0.618 177.952 177.300 0.057 0.000 1.209 196 P CA -0.420 62.695 63.100 0.025 0.000 0.776 196 P CB 0.498 32.223 31.700 0.040 0.000 0.876 197 R N 3.244 123.775 120.500 0.052 0.000 2.103 197 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 197 R C 1.511 177.841 176.300 0.050 0.000 1.142 197 R CA 1.637 57.766 56.100 0.049 0.000 0.960 197 R CB -0.886 29.442 30.300 0.046 0.000 0.858 197 R HN 0.283 nan 8.270 nan 0.000 0.439 198 K N 0.183 120.621 120.400 0.063 0.000 2.147 198 K HA -0.048 4.271 4.320 -0.000 0.000 0.205 198 K C 2.188 178.838 176.600 0.082 0.000 1.049 198 K CA 1.396 57.721 56.287 0.064 0.000 0.936 198 K CB -0.243 32.301 32.500 0.073 0.000 0.722 198 K HN 0.545 nan 8.250 nan 0.000 0.446 199 G N 0.680 109.558 108.800 0.130 0.000 2.408 199 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 199 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 199 G C 1.540 176.433 174.900 -0.012 0.000 1.150 199 G CA 0.382 45.632 45.100 0.250 0.000 0.776 199 G HN 0.081 nan 8.290 nan 0.000 0.542 200 V N 1.047 120.966 119.914 0.009 0.000 2.358 200 V HA -0.098 4.021 4.120 -0.000 0.000 0.246 200 V C 2.753 178.796 176.094 -0.085 0.000 1.047 200 V CA 1.275 63.563 62.300 -0.019 0.000 1.035 200 V CB -0.342 31.513 31.823 0.052 0.000 0.658 200 V HN 0.367 nan 8.190 nan 0.000 0.452 201 I N -0.124 120.410 120.570 -0.060 0.000 2.163 201 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 201 I C 2.656 178.687 176.117 -0.142 0.000 1.085 201 I CA 1.398 62.655 61.300 -0.071 0.000 1.347 201 I CB -0.390 37.592 38.000 -0.030 0.000 1.044 201 I HN 0.300 nan 8.210 nan 0.000 0.408 202 E N 0.608 120.690 120.200 -0.197 0.000 2.051 202 E HA -0.185 4.164 4.350 -0.000 0.000 0.192 202 E C 2.344 178.619 176.600 -0.540 0.000 0.991 202 E CA 1.049 57.262 56.400 -0.311 0.000 0.799 202 E CB -0.523 29.055 29.700 -0.204 0.000 0.748 202 E HN 0.484 nan 8.360 nan 0.000 0.449 203 L N 0.113 120.870 121.223 -0.777 0.000 2.043 203 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 203 L C 2.571 179.256 176.870 -0.307 0.000 1.075 203 L CA 1.251 55.715 54.840 -0.626 0.000 0.752 203 L CB -0.196 41.569 42.059 -0.489 0.000 0.891 203 L HN 0.188 nan 8.230 nan 0.000 0.432 204 M N -0.496 118.974 119.600 -0.217 0.000 2.086 204 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 204 M C 2.251 178.465 176.300 -0.144 0.000 1.067 204 M CA 1.751 56.971 55.300 -0.132 0.000 1.116 204 M CB -0.293 32.257 32.600 -0.084 0.000 1.348 204 M HN -0.041 nan 8.290 nan 0.000 0.407 205 R N -0.255 120.144 120.500 -0.169 0.000 2.127 205 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 205 R C 2.116 178.281 176.300 -0.224 0.000 1.134 205 R CA 1.916 57.913 56.100 -0.172 0.000 0.975 205 R CB -0.529 29.672 30.300 -0.165 0.000 0.865 205 R HN 0.628 nan 8.270 nan 0.000 0.447 206 M N -0.335 119.111 119.600 -0.257 0.000 2.595 206 M HA 0.110 4.589 4.480 -0.000 0.000 0.248 206 M C -0.354 175.811 176.300 -0.225 0.000 1.119 206 M CA 0.877 55.989 55.300 -0.313 0.000 1.079 206 M CB 0.296 32.731 32.600 -0.276 0.000 1.472 206 M HN -0.133 nan 8.290 nan 0.000 0.501 207 L N 2.437 123.568 121.223 -0.153 0.000 2.290 207 L HA 0.228 4.568 4.340 -0.000 0.000 0.284 207 L C 0.304 177.125 176.870 -0.081 0.000 1.078 207 L CA -0.607 54.180 54.840 -0.089 0.000 0.815 207 L CB 0.919 42.942 42.059 -0.060 0.000 1.162 207 L HN 0.297 nan 8.230 nan 0.000 0.435 208 D N 0.242 120.613 120.400 -0.049 0.000 2.338 208 D HA 0.166 4.806 4.640 -0.000 0.000 0.224 208 D C 0.854 177.143 176.300 -0.019 0.000 0.967 208 D CA 0.553 54.531 54.000 -0.037 0.000 0.896 208 D CB 0.328 41.121 40.800 -0.011 0.000 1.028 208 D HN 0.654 nan 8.370 nan 0.000 0.493 209 G N -0.738 108.058 108.800 -0.007 0.000 3.002 209 G HA2 0.420 4.380 3.960 -0.000 0.000 0.224 209 G HA3 0.420 4.380 3.960 -0.000 0.000 0.224 209 G C 0.016 174.920 174.900 0.007 0.000 1.013 209 G CA -0.406 44.693 45.100 -0.001 0.000 1.200 209 G HN 0.868 nan 8.290 nan 0.000 0.589 210 G N -0.037 108.770 108.800 0.012 0.000 2.559 210 G HA2 0.706 4.666 3.960 -0.000 0.000 0.291 210 G HA3 0.706 4.666 3.960 -0.000 0.000 0.291 210 G C -0.059 174.853 174.900 0.019 0.000 1.424 210 G CA 0.468 45.578 45.100 0.016 0.000 0.786 210 G HN 0.608 nan 8.290 nan 0.000 0.485 211 D N -1.245 119.167 120.400 0.020 0.000 2.342 211 D HA 0.013 4.652 4.640 -0.000 0.000 0.221 211 D C 0.426 176.741 176.300 0.026 0.000 1.101 211 D CA -0.512 53.501 54.000 0.022 0.000 0.837 211 D CB -0.463 40.348 40.800 0.019 0.000 0.938 211 D HN 0.351 nan 8.370 nan 0.000 0.508 212 N N 2.747 121.464 118.700 0.029 0.000 2.374 212 N HA 0.020 4.760 4.740 -0.000 0.000 0.269 212 N C -2.200 173.333 175.510 0.038 0.000 1.310 212 N CA -0.756 52.315 53.050 0.035 0.000 0.877 212 N CB 0.717 39.232 38.487 0.045 0.000 1.096 212 N HN 0.181 nan 8.380 nan 0.000 0.484 213 P HA 0.066 nan 4.420 nan 0.000 0.276 213 P C -0.801 176.527 177.300 0.046 0.000 1.261 213 P CA -0.513 62.612 63.100 0.042 0.000 0.800 213 P CB 0.810 32.535 31.700 0.042 0.000 1.066 214 L N 1.362 122.610 121.223 0.042 0.000 2.295 214 L HA 0.569 4.909 4.340 -0.000 0.000 0.285 214 L C -0.002 176.866 176.870 -0.004 0.000 1.035 214 L CA -0.572 54.285 54.840 0.028 0.000 0.806 214 L CB 0.822 42.892 42.059 0.018 0.000 1.214 214 L HN 0.275 nan 8.230 nan 0.000 0.426 215 R N 4.263 124.756 120.500 -0.012 0.000 2.343 215 R HA 0.712 5.052 4.340 -0.000 0.000 0.320 215 R C -1.963 174.191 176.300 -0.242 0.000 0.956 215 R CA -0.498 55.554 56.100 -0.079 0.000 0.836 215 R CB 1.276 31.613 30.300 0.061 0.000 1.151 215 R HN 0.467 nan 8.270 nan 0.000 0.450 216 V N 5.071 124.698 119.914 -0.478 0.000 2.513 216 V HA 0.498 4.618 4.120 -0.000 0.000 0.299 216 V C -0.370 175.386 176.094 -0.564 0.000 1.035 216 V CA -0.671 61.261 62.300 -0.614 0.000 0.889 216 V CB 1.698 32.927 31.823 -0.990 0.000 0.988 216 V HN 0.780 nan 8.190 nan 0.000 0.440 217 Q N 4.090 123.712 119.800 -0.297 0.000 2.347 217 Q HA 0.695 5.035 4.340 -0.000 0.000 0.271 217 Q C -1.418 174.618 176.000 0.062 0.000 1.064 217 Q CA -0.492 55.249 55.803 -0.102 0.000 0.800 217 Q CB 3.107 31.820 28.738 -0.041 0.000 1.304 217 Q HN 0.646 nan 8.270 nan 0.000 0.438 218 I N 1.116 121.715 120.570 0.048 0.000 2.465 218 I HA 0.665 4.835 4.170 -0.000 0.000 0.291 218 I C 0.211 176.349 176.117 0.035 0.000 1.014 218 I CA -0.779 60.506 61.300 -0.026 0.000 1.093 218 I CB 1.902 39.826 38.000 -0.126 0.000 1.267 218 I HN 0.704 nan 8.210 nan 0.000 0.431 219 G N 2.177 110.965 108.800 -0.020 0.000 3.075 219 G HA2 0.375 4.334 3.960 -0.000 0.000 0.253 219 G HA3 0.375 4.334 3.960 -0.000 0.000 0.253 219 G C 0.753 175.647 174.900 -0.010 0.000 1.353 219 G CA -0.001 45.148 45.100 0.082 0.000 1.051 219 G HN 0.614 nan 8.290 nan 0.000 0.553 220 S N -1.005 114.728 115.700 0.055 0.000 2.402 220 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 220 S C 1.188 175.763 174.600 -0.041 0.000 1.021 220 S CA 1.531 59.761 58.200 0.050 0.000 0.974 220 S CB -0.143 63.097 63.200 0.066 0.000 0.800 220 S HN 0.510 nan 8.310 nan 0.000 0.484 221 N N 0.739 119.354 118.700 -0.141 0.000 2.184 221 N HA 0.385 5.125 4.740 -0.000 0.000 0.234 221 N C -1.095 174.178 175.510 -0.396 0.000 1.282 221 N CA -0.288 52.642 53.050 -0.200 0.000 0.877 221 N CB 0.681 39.091 38.487 -0.129 0.000 1.184 221 N HN 0.336 nan 8.380 nan 0.000 0.510 222 N N -0.046 118.260 118.700 -0.656 0.000 2.708 222 N HA 0.523 5.263 4.740 -0.000 0.000 0.257 222 N C -1.967 172.944 175.510 -0.999 0.000 1.373 222 N CA -0.685 51.753 53.050 -1.020 0.000 0.843 222 N CB 2.404 39.618 38.487 -2.121 0.000 1.503 222 N HN -0.079 nan 8.380 nan 0.000 0.504 223 I N -0.177 119.945 120.570 -0.747 0.000 2.865 223 I HA 0.613 4.783 4.170 -0.000 0.000 0.302 223 I C -1.536 174.477 176.117 -0.173 0.000 1.140 223 I CA -0.711 60.349 61.300 -0.400 0.000 1.021 223 I CB 2.053 39.888 38.000 -0.274 0.000 1.233 223 I HN 0.536 nan 8.210 nan 0.000 0.427 224 R N 4.892 125.407 120.500 0.026 0.000 2.651 224 R HA 0.836 5.176 4.340 -0.000 0.000 0.278 224 R C -2.113 174.113 176.300 -0.123 0.000 1.010 224 R CA -0.553 55.557 56.100 0.016 0.000 0.896 224 R CB 2.151 32.531 30.300 0.133 0.000 1.211 224 R HN 0.718 nan 8.270 nan 0.000 0.456 225 A N 3.101 125.881 122.820 -0.067 0.000 2.374 225 A HA 0.535 4.855 4.320 -0.000 0.000 0.305 225 A C -1.670 175.877 177.584 -0.062 0.000 1.053 225 A CA -0.634 51.338 52.037 -0.107 0.000 0.726 225 A CB 1.083 20.085 19.000 0.003 0.000 1.229 225 A HN 0.911 nan 8.150 nan 0.000 0.431 226 H N 0.322 119.416 119.070 0.039 0.000 2.547 226 H HA 0.600 5.156 4.556 -0.000 0.000 0.342 226 H C -0.984 174.377 175.328 0.054 0.000 1.048 226 H CA -0.824 55.257 56.048 0.055 0.000 1.204 226 H CB 2.084 31.854 29.762 0.014 0.000 1.493 226 H HN 0.409 nan 8.280 nan 0.000 0.511 227 V N 3.109 123.158 119.914 0.225 0.000 2.577 227 V HA 0.505 4.625 4.120 -0.000 0.000 0.303 227 V C 0.940 177.152 176.094 0.198 0.000 1.042 227 V CA -0.075 62.326 62.300 0.168 0.000 0.872 227 V CB 1.077 32.978 31.823 0.131 0.000 0.998 227 V HN 1.187 nan 8.190 nan 0.000 0.423 228 G N 4.233 113.104 108.800 0.118 0.000 2.622 228 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.307 228 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.307 228 G C 0.234 175.137 174.900 0.006 0.000 1.226 228 G CA 0.744 45.888 45.100 0.073 0.000 0.997 228 G HN 0.715 nan 8.290 nan 0.000 0.551 229 D N 0.914 121.250 120.400 -0.107 0.000 2.427 229 D HA 0.378 5.017 4.640 -0.000 0.000 0.224 229 D C -0.139 175.926 176.300 -0.392 0.000 1.157 229 D CA 0.299 54.138 54.000 -0.267 0.000 0.828 229 D CB 0.059 40.651 40.800 -0.346 0.000 0.974 229 D HN 0.146 nan 8.370 nan 0.000 0.498 230 F N 0.672 120.640 119.950 0.031 0.000 2.508 230 F HA 0.501 5.028 4.527 -0.000 0.000 0.325 230 F C 0.365 176.234 175.800 0.115 0.000 1.090 230 F CA -0.892 57.143 58.000 0.058 0.000 0.945 230 F CB 1.997 41.026 39.000 0.048 0.000 1.156 230 F HN -0.300 nan 8.300 nan 0.000 0.463 231 I N 3.594 124.355 120.570 0.320 0.000 2.478 231 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 231 I C -1.350 174.933 176.117 0.277 0.000 1.042 231 I CA -0.698 60.787 61.300 0.309 0.000 1.067 231 I CB 2.044 40.214 38.000 0.284 0.000 1.233 231 I HN 0.457 nan 8.210 nan 0.000 0.431 232 F N 5.913 125.913 119.950 0.082 0.000 2.443 232 F HA 0.690 5.217 4.527 -0.000 0.000 0.335 232 F C -0.572 175.242 175.800 0.023 0.000 1.104 232 F CA 0.028 58.052 58.000 0.041 0.000 1.013 232 F CB 1.663 40.661 39.000 -0.003 0.000 1.136 232 F HN 0.307 nan 8.300 nan 0.000 0.470 233 T N 4.275 118.394 114.554 -0.726 0.000 2.921 233 T HA 0.474 4.824 4.350 -0.000 0.000 0.297 233 T C -1.302 172.886 174.700 -0.853 0.000 1.013 233 T CA -0.758 61.008 62.100 -0.558 0.000 0.990 233 T CB 1.518 70.336 68.868 -0.084 0.000 1.023 233 T HN 0.623 nan 8.240 nan 0.000 0.447 234 S N 1.900 117.166 115.700 -0.724 0.000 2.536 234 S HA 0.537 5.007 4.470 -0.000 0.000 0.287 234 S C -0.642 173.739 174.600 -0.364 0.000 1.101 234 S CA -0.929 56.974 58.200 -0.495 0.000 0.950 234 S CB 0.789 63.770 63.200 -0.365 0.000 1.056 234 S HN 0.576 nan 8.310 nan 0.000 0.481 235 K N 2.561 122.804 120.400 -0.262 0.000 2.319 235 K HA 0.332 4.652 4.320 -0.000 0.000 0.265 235 K C -0.383 176.103 176.600 -0.190 0.000 1.000 235 K CA -0.121 56.020 56.287 -0.244 0.000 0.943 235 K CB 0.311 32.722 32.500 -0.148 0.000 0.950 235 K HN 0.497 nan 8.250 nan 0.000 0.485 236 L N 1.296 122.405 121.223 -0.191 0.000 2.399 236 L HA 0.254 4.594 4.340 -0.000 0.000 0.265 236 L C -0.157 176.661 176.870 -0.087 0.000 1.089 236 L CA -1.177 53.582 54.840 -0.134 0.000 0.802 236 L CB 1.242 43.215 42.059 -0.143 0.000 1.180 236 L HN 0.285 nan 8.230 nan 0.000 0.454 237 V N 0.987 120.846 119.914 -0.093 0.000 2.470 237 V HA 0.009 4.129 4.120 -0.000 0.000 0.276 237 V C 0.176 176.227 176.094 -0.072 0.000 1.040 237 V CA -0.230 61.983 62.300 -0.146 0.000 1.008 237 V CB 0.815 32.454 31.823 -0.307 0.000 0.990 237 V HN 0.614 nan 8.190 nan 0.000 0.477 238 D N 4.003 124.394 120.400 -0.016 0.000 2.339 238 D HA 0.526 5.165 4.640 -0.000 0.000 0.256 238 D C 0.251 176.576 176.300 0.042 0.000 1.214 238 D CA 0.915 54.930 54.000 0.025 0.000 0.877 238 D CB 1.333 42.170 40.800 0.062 0.000 1.111 238 D HN 0.858 nan 8.370 nan 0.000 0.478 239 G N 2.800 111.621 108.800 0.034 0.000 2.347 239 G HA2 0.121 4.081 3.960 -0.000 0.000 0.303 239 G HA3 0.121 4.081 3.960 -0.000 0.000 0.303 239 G C -1.300 173.615 174.900 0.026 0.000 1.481 239 G CA -1.075 44.049 45.100 0.040 0.000 0.914 239 G HN 0.484 nan 8.290 nan 0.000 0.638 240 R N 0.503 120.984 120.500 -0.030 0.000 2.229 240 R HA 0.601 4.941 4.340 -0.000 0.000 0.332 240 R C -0.649 175.607 176.300 -0.073 0.000 0.989 240 R CA -0.784 55.297 56.100 -0.032 0.000 0.842 240 R CB 0.539 30.797 30.300 -0.070 0.000 1.119 240 R HN 0.426 nan 8.270 nan 0.000 0.456 241 F N 6.112 125.999 119.950 -0.105 0.000 2.471 241 F HA 0.271 4.798 4.527 -0.000 0.000 0.353 241 F C -1.503 174.235 175.800 -0.102 0.000 1.113 241 F CA -1.392 56.557 58.000 -0.084 0.000 1.262 241 F CB 0.727 39.734 39.000 0.013 0.000 1.146 241 F HN 0.526 nan 8.300 nan 0.000 0.578 242 P HA 0.005 nan 4.420 nan 0.000 0.269 242 P C -1.362 175.916 177.300 -0.037 0.000 1.215 242 P CA -0.138 62.794 63.100 -0.280 0.000 0.780 242 P CB 0.485 31.982 31.700 -0.338 0.000 0.898 243 D N 0.740 121.106 120.400 -0.056 0.000 2.453 243 D HA 0.035 4.675 4.640 -0.000 0.000 0.223 243 D C 0.878 177.116 176.300 -0.102 0.000 1.183 243 D CA -0.321 53.631 54.000 -0.079 0.000 0.933 243 D CB -0.318 40.395 40.800 -0.144 0.000 1.038 243 D HN 0.347 nan 8.370 nan 0.000 0.513 244 Y N 2.419 122.726 120.300 0.012 0.000 2.403 244 Y HA -0.059 4.491 4.550 -0.000 0.000 0.291 244 Y C 1.804 177.701 175.900 -0.006 0.000 1.143 244 Y CA 0.686 58.790 58.100 0.006 0.000 1.257 244 Y CB -0.305 38.188 38.460 0.055 0.000 0.984 244 Y HN 0.184 nan 8.280 nan 0.000 0.550 245 R N 0.778 120.806 120.500 -0.786 0.000 2.127 245 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 245 R C 1.748 177.937 176.300 -0.185 0.000 1.134 245 R CA 1.437 57.258 56.100 -0.465 0.000 0.975 245 R CB -0.170 29.826 30.300 -0.505 0.000 0.865 245 R HN 0.434 nan 8.270 nan 0.000 0.447 246 R N 0.065 120.468 120.500 -0.162 0.000 2.313 246 R HA 0.062 4.402 4.340 -0.000 0.000 0.199 246 R C 1.323 177.600 176.300 -0.039 0.000 0.958 246 R CA 0.387 56.436 56.100 -0.085 0.000 1.047 246 R CB 0.219 30.469 30.300 -0.084 0.000 0.955 246 R HN 0.100 nan 8.270 nan 0.000 0.481 247 V N 0.950 120.855 119.914 -0.015 0.000 3.661 247 V HA 0.132 4.252 4.120 -0.000 0.000 0.271 247 V C 0.745 176.862 176.094 0.039 0.000 1.315 247 V CA 0.117 62.431 62.300 0.022 0.000 1.072 247 V CB 0.169 32.020 31.823 0.046 0.000 0.830 247 V HN 0.112 nan 8.190 nan 0.000 0.443 248 L N 2.559 123.806 121.223 0.040 0.000 2.410 248 L HA 0.243 4.583 4.340 -0.000 0.000 0.273 248 L C -2.035 174.856 176.870 0.034 0.000 1.144 248 L CA -1.479 53.387 54.840 0.043 0.000 0.863 248 L CB -0.296 41.789 42.059 0.043 0.000 1.140 248 L HN 0.080 nan 8.230 nan 0.000 0.463 249 P HA -0.014 nan 4.420 nan 0.000 0.261 249 P C 0.021 177.345 177.300 0.041 0.000 1.173 249 P CA 0.190 63.318 63.100 0.047 0.000 0.760 249 P CB 0.597 32.334 31.700 0.061 0.000 0.783 250 K N 1.901 122.321 120.400 0.034 0.000 2.031 250 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 250 K C 0.079 176.699 176.600 0.034 0.000 1.049 250 K CA 1.344 57.647 56.287 0.026 0.000 0.939 250 K CB -0.132 32.378 32.500 0.016 0.000 0.717 250 K HN 0.507 nan 8.250 nan 0.000 0.438 251 N N 0.949 119.675 118.700 0.042 0.000 2.790 251 N HA 0.125 4.865 4.740 -0.000 0.000 0.256 251 N C -2.726 172.826 175.510 0.070 0.000 1.409 251 N CA -0.891 52.188 53.050 0.048 0.000 0.799 251 N CB 1.528 40.034 38.487 0.032 0.000 1.170 251 N HN -0.019 nan 8.380 nan 0.000 0.507 252 P HA 0.131 nan 4.420 nan 0.000 0.209 252 P C -0.175 177.249 177.300 0.207 0.000 1.843 252 P CA -0.291 62.888 63.100 0.132 0.000 0.985 252 P CB 0.334 32.105 31.700 0.118 0.000 1.904 253 D N 0.911 121.399 120.400 0.146 0.000 2.117 253 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 253 D C 0.137 176.534 176.300 0.162 0.000 0.982 253 D CA 0.937 54.998 54.000 0.102 0.000 0.828 253 D CB -0.543 40.270 40.800 0.023 0.000 0.967 253 D HN 0.235 nan 8.370 nan 0.000 0.464 254 K N 1.109 121.633 120.400 0.206 0.000 2.250 254 K HA 0.046 4.366 4.320 -0.000 0.000 0.277 254 K C -0.631 176.241 176.600 0.454 0.000 1.091 254 K CA 0.075 56.536 56.287 0.290 0.000 1.046 254 K CB -0.148 32.567 32.500 0.358 0.000 0.982 254 K HN 0.218 nan 8.250 nan 0.000 0.429 255 H N 1.963 121.135 119.070 0.171 0.000 2.552 255 H HA 0.251 4.807 4.556 -0.000 0.000 0.311 255 H C -0.616 174.889 175.328 0.295 0.000 1.071 255 H CA -0.722 55.429 56.048 0.173 0.000 1.307 255 H CB 0.704 30.518 29.762 0.087 0.000 1.416 255 H HN 0.402 nan 8.280 nan 0.000 0.464 256 L N 3.180 124.595 121.223 0.320 0.000 2.322 256 L HA 0.447 4.787 4.340 -0.000 0.000 0.281 256 L C -0.734 176.221 176.870 0.142 0.000 1.014 256 L CA -0.708 54.295 54.840 0.272 0.000 0.815 256 L CB 1.162 43.295 42.059 0.123 0.000 1.247 256 L HN 0.589 nan 8.230 nan 0.000 0.421 257 E N 3.780 124.062 120.200 0.136 0.000 2.222 257 E HA 0.853 5.203 4.350 -0.000 0.000 0.267 257 E C -1.136 175.507 176.600 0.072 0.000 0.884 257 E CA -0.437 56.015 56.400 0.086 0.000 0.764 257 E CB 2.195 31.945 29.700 0.083 0.000 1.169 257 E HN 0.744 nan 8.360 nan 0.000 0.413 258 A N 1.320 124.171 122.820 0.052 0.000 2.599 258 A HA 0.767 5.086 4.320 -0.000 0.000 0.290 258 A C -0.247 177.357 177.584 0.032 0.000 1.101 258 A CA -0.459 51.604 52.037 0.042 0.000 0.674 258 A CB 1.124 20.148 19.000 0.041 0.000 1.277 258 A HN 0.625 nan 8.150 nan 0.000 0.419 259 G N -0.489 108.326 108.800 0.025 0.000 2.272 259 G HA2 0.320 4.279 3.960 -0.000 0.000 0.247 259 G HA3 0.320 4.279 3.960 -0.000 0.000 0.247 259 G C 1.079 175.991 174.900 0.019 0.000 1.272 259 G CA 0.501 45.612 45.100 0.018 0.000 0.921 259 G HN 1.392 nan 8.290 nan 0.000 0.495 260 C N 2.031 121.338 119.300 0.013 0.000 2.436 260 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 260 C C 2.395 177.391 174.990 0.010 0.000 1.241 260 C CA 1.749 60.771 59.018 0.007 0.000 1.721 260 C CB -0.670 27.064 27.740 -0.010 0.000 2.043 260 C HN 0.925 nan 8.230 nan 0.000 0.472 261 D N -0.364 120.038 120.400 0.003 0.000 2.117 261 D HA -0.089 4.550 4.640 -0.000 0.000 0.198 261 D C 2.185 178.490 176.300 0.009 0.000 0.982 261 D CA 1.092 55.093 54.000 0.002 0.000 0.828 261 D CB -0.206 40.591 40.800 -0.004 0.000 0.967 261 D HN 0.539 nan 8.370 nan 0.000 0.464 262 L N -0.163 121.064 121.223 0.007 0.000 1.990 262 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 262 L C 2.276 179.146 176.870 0.001 0.000 1.072 262 L CA 0.580 55.420 54.840 -0.001 0.000 0.755 262 L CB -0.404 41.653 42.059 -0.004 0.000 0.889 262 L HN 0.238 nan 8.230 nan 0.000 0.432 263 L N 0.126 121.368 121.223 0.031 0.000 2.012 263 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 263 L C 2.563 179.542 176.870 0.181 0.000 1.073 263 L CA 1.828 56.720 54.840 0.086 0.000 0.748 263 L CB -1.142 41.035 42.059 0.195 0.000 0.891 263 L HN 0.295 nan 8.230 nan 0.000 0.431 264 K N -0.988 119.495 120.400 0.138 0.000 2.063 264 K HA -0.210 4.109 4.320 -0.000 0.000 0.208 264 K C 1.996 178.656 176.600 0.100 0.000 1.048 264 K CA 1.298 57.660 56.287 0.124 0.000 0.928 264 K CB 0.106 32.623 32.500 0.027 0.000 0.713 264 K HN 0.256 nan 8.250 nan 0.000 0.442 265 Q N -0.120 119.706 119.800 0.044 0.000 2.172 265 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 265 Q C 2.031 178.035 176.000 0.006 0.000 0.964 265 Q CA 1.362 57.176 55.803 0.018 0.000 0.855 265 Q CB -0.171 28.567 28.738 0.000 0.000 0.918 265 Q HN 0.443 nan 8.270 nan 0.000 0.444 266 A N 0.120 122.924 122.820 -0.027 0.000 1.854 266 A HA -0.114 4.205 4.320 -0.000 0.000 0.214 266 A C 1.895 179.411 177.584 -0.114 0.000 1.192 266 A CA 0.954 52.922 52.037 -0.115 0.000 0.611 266 A CB -0.826 18.036 19.000 -0.230 0.000 0.832 266 A HN 0.242 nan 8.150 nan 0.000 0.442 267 F N 0.510 120.449 119.950 -0.019 0.000 2.126 267 F HA -0.182 4.344 4.527 -0.000 0.000 0.299 267 F C 2.837 178.624 175.800 -0.022 0.000 1.096 267 F CA 1.138 59.127 58.000 -0.018 0.000 1.255 267 F CB -0.706 38.277 39.000 -0.028 0.000 0.997 267 F HN 0.261 nan 8.300 nan 0.000 0.479 268 A N 0.073 122.986 122.820 0.154 0.000 1.908 268 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 268 A C 2.335 179.944 177.584 0.043 0.000 1.181 268 A CA 1.860 53.940 52.037 0.072 0.000 0.627 268 A CB -0.683 18.341 19.000 0.039 0.000 0.818 268 A HN 0.334 nan 8.150 nan 0.000 0.445 269 R N -0.768 119.746 120.500 0.024 0.000 2.075 269 R HA -0.032 4.307 4.340 -0.000 0.000 0.232 269 R C 2.537 178.843 176.300 0.011 0.000 1.126 269 R CA 1.138 57.242 56.100 0.007 0.000 0.963 269 R CB -0.480 29.813 30.300 -0.011 0.000 0.858 269 R HN 0.511 nan 8.270 nan 0.000 0.435 270 A N 1.405 124.232 122.820 0.013 0.000 1.908 270 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 270 A C 2.382 179.992 177.584 0.045 0.000 1.181 270 A CA 1.771 53.820 52.037 0.020 0.000 0.627 270 A CB -0.715 18.292 19.000 0.013 0.000 0.818 270 A HN 0.413 nan 8.150 nan 0.000 0.445 271 A N 0.056 122.916 122.820 0.066 0.000 1.986 271 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 271 A C 2.024 179.623 177.584 0.025 0.000 1.171 271 A CA 1.608 53.676 52.037 0.052 0.000 0.640 271 A CB -0.754 18.276 19.000 0.050 0.000 0.811 271 A HN 0.555 nan 8.150 nan 0.000 0.451 272 I N -1.155 119.426 120.570 0.018 0.000 2.248 272 I HA -0.265 3.904 4.170 -0.000 0.000 0.248 272 I C 1.101 177.223 176.117 0.008 0.000 1.107 272 I CA 1.138 62.443 61.300 0.008 0.000 1.373 272 I CB -0.201 37.801 38.000 0.004 0.000 1.055 272 I HN 0.217 nan 8.210 nan 0.000 0.418 273 L N -0.046 121.185 121.223 0.013 0.000 2.818 273 L HA 0.175 4.515 4.340 -0.000 0.000 0.243 273 L C 0.909 177.792 176.870 0.021 0.000 1.185 273 L CA 0.001 54.848 54.840 0.013 0.000 0.988 273 L CB -0.461 41.604 42.059 0.009 0.000 1.292 273 L HN 0.092 nan 8.230 nan 0.000 0.519 274 S N -1.627 114.089 115.700 0.026 0.000 2.632 274 S HA 0.243 4.713 4.470 -0.000 0.000 0.271 274 S C 0.408 175.029 174.600 0.035 0.000 1.260 274 S CA -0.740 57.481 58.200 0.036 0.000 1.010 274 S CB 0.860 64.084 63.200 0.041 0.000 0.965 274 S HN 0.254 nan 8.310 nan 0.000 0.534 275 N N 0.965 119.699 118.700 0.057 0.000 2.294 275 N HA -0.085 4.655 4.740 -0.000 0.000 0.263 275 N C 0.748 176.276 175.510 0.030 0.000 1.281 275 N CA 0.475 53.572 53.050 0.077 0.000 0.846 275 N CB 0.361 38.953 38.487 0.176 0.000 1.061 275 N HN 0.815 nan 8.380 nan 0.000 0.478 276 E N 2.801 122.999 120.200 -0.004 0.000 2.274 276 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 276 E C 1.463 177.996 176.600 -0.111 0.000 0.996 276 E CA 0.872 57.245 56.400 -0.046 0.000 0.840 276 E CB 0.289 29.965 29.700 -0.039 0.000 0.772 276 E HN 0.578 nan 8.360 nan 0.000 0.491 277 K N -0.544 119.748 120.400 -0.181 0.000 2.044 277 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 277 K C 1.198 177.504 176.600 -0.489 0.000 1.045 277 K CA 0.893 56.922 56.287 -0.430 0.000 0.951 277 K CB 0.101 32.167 32.500 -0.723 0.000 0.738 277 K HN 0.040 nan 8.250 nan 0.000 0.443 278 F N 0.728 120.645 119.950 -0.055 0.000 2.619 278 F HA 0.243 4.770 4.527 -0.000 0.000 0.293 278 F C 0.424 176.168 175.800 -0.093 0.000 1.119 278 F CA -0.013 57.944 58.000 -0.072 0.000 1.445 278 F CB 0.443 39.413 39.000 -0.051 0.000 1.119 278 F HN -0.042 nan 8.300 nan 0.000 0.573 279 R N 0.089 120.631 120.500 0.070 0.000 3.770 279 R HA -0.151 4.189 4.340 -0.000 0.000 0.305 279 R C 0.433 176.746 176.300 0.022 0.000 1.184 279 R CA 0.667 56.769 56.100 0.003 0.000 0.823 279 R CB -2.659 27.592 30.300 -0.083 0.000 1.285 279 R HN 0.381 nan 8.270 nan 0.000 0.499 280 G N 0.630 109.467 108.800 0.062 0.000 2.380 280 G HA2 0.454 4.414 3.960 -0.000 0.000 0.262 280 G HA3 0.454 4.414 3.960 -0.000 0.000 0.262 280 G C 0.457 175.400 174.900 0.072 0.000 1.243 280 G CA 0.083 45.216 45.100 0.054 0.000 0.865 280 G HN 0.204 nan 8.290 nan 0.000 0.513 281 V N 0.485 120.465 119.914 0.110 0.000 2.864 281 V HA 0.768 4.888 4.120 -0.000 0.000 0.314 281 V C -0.124 176.054 176.094 0.140 0.000 1.073 281 V CA -1.631 60.756 62.300 0.145 0.000 0.956 281 V CB 1.980 33.948 31.823 0.241 0.000 1.023 281 V HN 0.766 nan 8.190 nan 0.000 0.435 282 R N 2.034 122.604 120.500 0.118 0.000 2.393 282 R HA 0.716 5.056 4.340 -0.000 0.000 0.310 282 R C -1.754 174.629 176.300 0.138 0.000 0.968 282 R CA -0.740 55.420 56.100 0.100 0.000 0.867 282 R CB 1.452 31.795 30.300 0.071 0.000 1.124 282 R HN 0.742 nan 8.270 nan 0.000 0.450 283 L N 4.876 126.192 121.223 0.155 0.000 2.296 283 L HA 0.362 4.702 4.340 -0.000 0.000 0.286 283 L C -0.941 175.990 176.870 0.102 0.000 1.023 283 L CA -0.375 54.555 54.840 0.151 0.000 0.812 283 L CB 1.179 43.371 42.059 0.222 0.000 1.223 283 L HN 0.540 nan 8.230 nan 0.000 0.421 284 Y N 3.742 124.039 120.300 -0.005 0.000 2.345 284 Y HA 0.617 5.167 4.550 -0.000 0.000 0.331 284 Y C -0.278 175.585 175.900 -0.061 0.000 0.959 284 Y CA -1.130 56.956 58.100 -0.023 0.000 1.204 284 Y CB 1.475 39.926 38.460 -0.015 0.000 1.135 284 Y HN 0.409 nan 8.280 nan 0.000 0.477 285 V N 3.249 123.081 119.914 -0.136 0.000 2.472 285 V HA 0.913 5.033 4.120 -0.000 0.000 0.290 285 V C -0.379 175.704 176.094 -0.019 0.000 1.037 285 V CA -0.056 62.104 62.300 -0.234 0.000 0.908 285 V CB 0.846 32.224 31.823 -0.741 0.000 0.985 285 V HN 0.783 nan 8.190 nan 0.000 0.454 286 S N 1.792 117.588 115.700 0.161 0.000 2.790 286 S HA 0.511 4.981 4.470 -0.000 0.000 0.292 286 S C -0.423 174.395 174.600 0.363 0.000 1.197 286 S CA -0.687 57.708 58.200 0.324 0.000 0.851 286 S CB 1.135 64.518 63.200 0.305 0.000 1.217 286 S HN 1.109 nan 8.310 nan 0.000 0.526 287 E N 1.179 121.531 120.200 0.253 0.000 2.614 287 E HA 0.085 4.434 4.350 -0.000 0.000 0.245 287 E C -0.358 176.343 176.600 0.168 0.000 1.039 287 E CA 0.414 56.926 56.400 0.187 0.000 0.948 287 E CB -0.541 29.221 29.700 0.103 0.000 0.937 287 E HN 0.522 nan 8.360 nan 0.000 0.498 288 N N 2.638 121.458 118.700 0.199 0.000 2.693 288 N HA -0.269 4.471 4.740 -0.000 0.000 0.249 288 N C -1.139 174.442 175.510 0.119 0.000 1.119 288 N CA 1.492 54.632 53.050 0.150 0.000 0.717 288 N CB -1.034 37.507 38.487 0.090 0.000 1.071 288 N HN 0.761 nan 8.380 nan 0.000 0.555 289 Q N -0.124 119.754 119.800 0.131 0.000 2.345 289 Q HA 0.570 4.909 4.340 -0.000 0.000 0.275 289 Q C -1.831 174.197 176.000 0.048 0.000 1.063 289 Q CA -0.868 54.980 55.803 0.074 0.000 0.819 289 Q CB 1.617 30.392 28.738 0.062 0.000 1.356 289 Q HN 0.154 nan 8.270 nan 0.000 0.418 290 L N 3.035 124.264 121.223 0.010 0.000 2.333 290 L HA 0.591 4.931 4.340 -0.000 0.000 0.280 290 L C -1.482 175.376 176.870 -0.021 0.000 1.004 290 L CA -0.074 54.756 54.840 -0.016 0.000 0.820 290 L CB 1.625 43.656 42.059 -0.047 0.000 1.247 290 L HN 0.655 nan 8.230 nan 0.000 0.416 291 K N 5.684 126.092 120.400 0.014 0.000 2.292 291 K HA 0.652 4.972 4.320 -0.000 0.000 0.257 291 K C -1.492 175.097 176.600 -0.018 0.000 0.940 291 K CA -0.524 55.756 56.287 -0.011 0.000 0.811 291 K CB 1.144 33.646 32.500 0.003 0.000 1.120 291 K HN 0.714 nan 8.250 nan 0.000 0.428 292 I N 3.562 124.081 120.570 -0.085 0.000 2.433 292 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 292 I C -0.291 175.800 176.117 -0.043 0.000 1.001 292 I CA -0.729 60.513 61.300 -0.097 0.000 1.119 292 I CB 2.093 39.897 38.000 -0.327 0.000 1.289 292 I HN 0.723 nan 8.210 nan 0.000 0.438 293 T N 2.493 117.055 114.554 0.013 0.000 2.900 293 T HA 0.886 5.236 4.350 -0.000 0.000 0.295 293 T C -0.798 173.922 174.700 0.033 0.000 1.044 293 T CA -0.796 61.311 62.100 0.011 0.000 0.995 293 T CB 2.186 71.061 68.868 0.013 0.000 1.072 293 T HN 0.705 nan 8.240 nan 0.000 0.473 294 A N 2.632 125.467 122.820 0.025 0.000 2.435 294 A HA 0.923 5.243 4.320 -0.000 0.000 0.304 294 A C -0.806 176.791 177.584 0.023 0.000 1.064 294 A CA -1.111 50.947 52.037 0.035 0.000 0.727 294 A CB 1.294 20.320 19.000 0.043 0.000 1.284 294 A HN 1.165 nan 8.150 nan 0.000 0.415 295 N N 0.173 118.888 118.700 0.025 0.000 2.525 295 N HA 0.653 5.393 4.740 -0.000 0.000 0.270 295 N C -1.057 174.468 175.510 0.025 0.000 1.321 295 N CA -0.875 52.187 53.050 0.019 0.000 0.797 295 N CB 1.005 39.500 38.487 0.012 0.000 1.529 295 N HN 0.635 nan 8.380 nan 0.000 0.491 296 N N -1.638 117.076 118.700 0.022 0.000 2.531 296 N HA 0.570 5.310 4.740 -0.000 0.000 0.290 296 N C -2.347 173.179 175.510 0.027 0.000 1.257 296 N CA -2.010 51.058 53.050 0.030 0.000 0.863 296 N CB 0.003 38.505 38.487 0.026 0.000 1.320 296 N HN 0.263 nan 8.380 nan 0.000 0.538 297 P HA -0.123 nan 4.420 nan 0.000 0.217 297 P C 0.296 177.606 177.300 0.018 0.000 1.148 297 P CA 1.326 64.443 63.100 0.028 0.000 0.828 297 P CB 0.192 31.916 31.700 0.040 0.000 0.783 298 E N -1.035 119.174 120.200 0.016 0.000 2.485 298 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 298 E C 0.097 176.701 176.600 0.007 0.000 1.098 298 E CA 0.018 56.424 56.400 0.010 0.000 0.878 298 E CB -0.332 29.373 29.700 0.009 0.000 0.939 298 E HN 0.046 nan 8.360 nan 0.000 0.503 299 Q N -0.221 119.584 119.800 0.008 0.000 2.489 299 Q HA -0.203 4.137 4.340 -0.000 0.000 0.259 299 Q C -0.851 175.151 176.000 0.003 0.000 0.934 299 Q CA 0.942 56.748 55.803 0.005 0.000 1.131 299 Q CB -1.232 27.508 28.738 0.002 0.000 1.472 299 Q HN 0.374 nan 8.270 nan 0.000 0.560 300 E N 0.253 120.456 120.200 0.005 0.000 2.374 300 E HA 0.384 4.734 4.350 -0.000 0.000 0.260 300 E C -0.006 176.596 176.600 0.004 0.000 1.101 300 E CA -0.207 56.195 56.400 0.003 0.000 0.907 300 E CB 0.892 30.594 29.700 0.004 0.000 1.014 300 E HN 0.216 nan 8.360 nan 0.000 0.427 301 E N 0.011 120.212 120.200 0.001 0.000 2.352 301 E HA 0.542 4.892 4.350 -0.000 0.000 0.280 301 E C -2.016 174.583 176.600 -0.003 0.000 0.930 301 E CA -0.664 55.736 56.400 0.000 0.000 0.765 301 E CB 1.572 31.270 29.700 -0.003 0.000 1.219 301 E HN 0.491 nan 8.360 nan 0.000 0.434 302 A N 3.311 126.129 122.820 -0.003 0.000 2.356 302 A HA 0.714 5.034 4.320 -0.000 0.000 0.323 302 A C -1.048 176.526 177.584 -0.017 0.000 1.119 302 A CA -0.531 51.500 52.037 -0.010 0.000 0.790 302 A CB 1.642 20.638 19.000 -0.006 0.000 1.273 302 A HN 0.641 nan 8.150 nan 0.000 0.452 303 E N 1.287 121.471 120.200 -0.027 0.000 2.304 303 E HA 0.429 4.779 4.350 -0.000 0.000 0.277 303 E C -1.594 174.975 176.600 -0.051 0.000 0.898 303 E CA -0.479 55.899 56.400 -0.037 0.000 0.764 303 E CB 1.462 31.142 29.700 -0.034 0.000 1.216 303 E HN 0.559 nan 8.360 nan 0.000 0.419 304 E N 4.349 124.505 120.200 -0.074 0.000 2.210 304 E HA 0.446 4.796 4.350 -0.000 0.000 0.266 304 E C -0.547 175.998 176.600 -0.091 0.000 0.883 304 E CA -0.683 55.662 56.400 -0.091 0.000 0.761 304 E CB 2.064 31.680 29.700 -0.140 0.000 1.156 304 E HN 0.506 nan 8.360 nan 0.000 0.412 305 I N 3.461 123.989 120.570 -0.070 0.000 2.433 305 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 305 I C -0.462 175.622 176.117 -0.054 0.000 1.001 305 I CA -0.741 60.525 61.300 -0.056 0.000 1.119 305 I CB 1.275 39.252 38.000 -0.040 0.000 1.289 305 I HN 0.215 nan 8.210 nan 0.000 0.438 306 L N 4.777 125.971 121.223 -0.049 0.000 2.401 306 L HA 0.453 4.793 4.340 -0.000 0.000 0.266 306 L C -0.871 175.992 176.870 -0.011 0.000 0.991 306 L CA -0.903 53.914 54.840 -0.038 0.000 0.818 306 L CB 2.149 44.172 42.059 -0.059 0.000 1.321 306 L HN 0.444 nan 8.230 nan 0.000 0.413 307 D N 2.312 122.712 120.400 -0.000 0.000 2.351 307 D HA 0.399 5.039 4.640 -0.000 0.000 0.251 307 D C -0.124 176.192 176.300 0.028 0.000 1.137 307 D CA 0.159 54.170 54.000 0.018 0.000 0.879 307 D CB 1.902 42.712 40.800 0.018 0.000 1.181 307 D HN 0.275 nan 8.370 nan 0.000 0.448 308 V N -0.531 119.413 119.914 0.050 0.000 3.156 308 V HA 0.623 4.743 4.120 -0.000 0.000 0.311 308 V C -0.091 176.062 176.094 0.098 0.000 1.208 308 V CA -0.845 61.496 62.300 0.069 0.000 1.063 308 V CB 1.872 33.738 31.823 0.071 0.000 1.098 308 V HN 0.364 nan 8.190 nan 0.000 0.452 309 T N 2.663 117.284 114.554 0.113 0.000 2.738 309 T HA 0.618 4.968 4.350 -0.000 0.000 0.298 309 T C -1.299 173.535 174.700 0.222 0.000 0.962 309 T CA 0.305 62.482 62.100 0.130 0.000 0.972 309 T CB -0.353 68.573 68.868 0.097 0.000 0.928 309 T HN 0.840 nan 8.240 nan 0.000 0.474 310 Y N 1.672 122.004 120.300 0.053 0.000 2.390 310 Y HA 0.397 4.946 4.550 -0.000 0.000 0.324 310 Y C -0.003 175.927 175.900 0.050 0.000 1.151 310 Y CA -1.013 57.123 58.100 0.061 0.000 1.053 310 Y CB 1.642 40.140 38.460 0.063 0.000 1.277 310 Y HN 0.513 nan 8.280 nan 0.000 0.432 311 S N 2.213 117.563 115.700 -0.584 0.000 2.780 311 S HA 0.328 4.798 4.470 -0.000 0.000 0.248 311 S C 0.602 174.887 174.600 -0.524 0.000 1.036 311 S CA 0.022 57.979 58.200 -0.405 0.000 1.061 311 S CB 0.764 63.847 63.200 -0.195 0.000 1.037 311 S HN 0.910 nan 8.310 nan 0.000 0.584 312 G N 1.645 109.812 108.800 -1.055 0.000 2.508 312 G HA2 0.649 4.609 3.960 -0.000 0.000 0.278 312 G HA3 0.649 4.609 3.960 -0.000 0.000 0.278 312 G C 0.024 174.818 174.900 -0.177 0.000 1.389 312 G CA -0.312 44.472 45.100 -0.528 0.000 1.050 312 G HN 0.500 nan 8.290 nan 0.000 0.522 313 A N -0.812 122.027 122.820 0.031 0.000 2.407 313 A HA 0.441 4.761 4.320 -0.000 0.000 0.248 313 A C 0.454 178.165 177.584 0.213 0.000 1.082 313 A CA -0.263 51.835 52.037 0.101 0.000 0.785 313 A CB 0.071 19.109 19.000 0.063 0.000 1.020 313 A HN 0.633 nan 8.150 nan 0.000 0.489 314 E N 0.436 120.731 120.200 0.159 0.000 2.413 314 E HA 0.340 4.690 4.350 -0.000 0.000 0.263 314 E C -0.092 176.448 176.600 -0.100 0.000 1.015 314 E CA 0.585 57.030 56.400 0.076 0.000 0.916 314 E CB 0.359 30.144 29.700 0.140 0.000 0.947 314 E HN 0.683 nan 8.360 nan 0.000 0.440 315 M N -0.232 119.171 119.600 -0.329 0.000 2.682 315 M HA 0.457 4.937 4.480 -0.000 0.000 0.272 315 M C -1.313 174.641 176.300 -0.578 0.000 1.232 315 M CA -0.959 54.130 55.300 -0.351 0.000 0.849 315 M CB 2.328 34.847 32.600 -0.136 0.000 1.695 315 M HN 0.357 nan 8.290 nan 0.000 0.481 316 E N 1.677 121.639 120.200 -0.396 0.000 2.222 316 E HA 0.816 5.166 4.350 -0.000 0.000 0.267 316 E C -2.121 174.396 176.600 -0.138 0.000 0.884 316 E CA -0.849 55.386 56.400 -0.275 0.000 0.764 316 E CB 2.828 32.441 29.700 -0.145 0.000 1.169 316 E HN 0.812 nan 8.360 nan 0.000 0.413 317 I N 2.699 123.209 120.570 -0.100 0.000 2.722 317 I HA 0.546 4.715 4.170 -0.000 0.000 0.292 317 I C -0.904 175.079 176.117 -0.224 0.000 1.267 317 I CA -0.557 60.637 61.300 -0.177 0.000 1.036 317 I CB 1.885 39.786 38.000 -0.165 0.000 1.281 317 I HN 0.665 nan 8.210 nan 0.000 0.423 318 G N 5.447 114.033 108.800 -0.356 0.000 2.389 318 G HA2 0.725 4.684 3.960 -0.000 0.000 0.328 318 G HA3 0.725 4.684 3.960 -0.000 0.000 0.328 318 G C -1.668 172.896 174.900 -0.559 0.000 1.133 318 G CA -0.250 44.681 45.100 -0.282 0.000 0.891 318 G HN 0.374 nan 8.290 nan 0.000 0.485 319 F N -0.269 119.708 119.950 0.046 0.000 2.613 319 F HA 0.360 4.887 4.527 -0.000 0.000 0.310 319 F C 0.026 175.821 175.800 -0.009 0.000 1.085 319 F CA -1.305 56.715 58.000 0.033 0.000 0.945 319 F CB 2.158 41.170 39.000 0.020 0.000 1.298 319 F HN 0.370 nan 8.300 nan 0.000 0.455 320 N N 1.531 120.327 118.700 0.161 0.000 2.431 320 N HA 0.015 4.755 4.740 -0.000 0.000 0.265 320 N C 0.686 176.139 175.510 -0.094 0.000 1.184 320 N CA 0.358 53.345 53.050 -0.104 0.000 0.943 320 N CB 1.545 39.723 38.487 -0.514 0.000 1.080 320 N HN 0.639 nan 8.380 nan 0.000 0.477 321 V N 3.628 123.500 119.914 -0.070 0.000 2.667 321 V HA -0.143 3.977 4.120 -0.000 0.000 0.252 321 V C 1.813 177.829 176.094 -0.130 0.000 1.065 321 V CA 1.729 63.986 62.300 -0.072 0.000 1.083 321 V CB -0.314 31.534 31.823 0.042 0.000 0.692 321 V HN 0.730 nan 8.190 nan 0.000 0.468 322 S N -0.599 115.005 115.700 -0.160 0.000 2.402 322 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 322 S C 1.727 176.318 174.600 -0.016 0.000 1.021 322 S CA 1.363 59.493 58.200 -0.118 0.000 0.974 322 S CB -0.344 62.774 63.200 -0.137 0.000 0.800 322 S HN 0.731 nan 8.310 nan 0.000 0.484 323 Y N 1.266 121.537 120.300 -0.050 0.000 2.263 323 Y HA 0.018 4.568 4.550 -0.000 0.000 0.292 323 Y C 2.492 178.302 175.900 -0.149 0.000 1.130 323 Y CA -0.506 57.575 58.100 -0.032 0.000 1.179 323 Y CB -1.263 37.215 38.460 0.030 0.000 0.998 323 Y HN 0.052 nan 8.280 nan 0.000 0.532 324 V N -0.005 119.851 119.914 -0.097 0.000 2.307 324 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 324 V C 2.443 178.321 176.094 -0.360 0.000 1.045 324 V CA 1.504 63.588 62.300 -0.360 0.000 1.024 324 V CB -0.907 30.495 31.823 -0.703 0.000 0.651 324 V HN 0.311 nan 8.190 nan 0.000 0.449 325 L N -0.125 120.923 121.223 -0.292 0.000 2.079 325 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 325 L C 2.384 179.083 176.870 -0.284 0.000 1.081 325 L CA 1.565 56.267 54.840 -0.230 0.000 0.752 325 L CB -0.762 41.214 42.059 -0.138 0.000 0.896 325 L HN 0.357 nan 8.230 nan 0.000 0.433 326 D N -0.405 119.815 120.400 -0.299 0.000 2.123 326 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 326 D C 2.315 178.052 176.300 -0.939 0.000 0.992 326 D CA 1.147 54.804 54.000 -0.572 0.000 0.833 326 D CB -0.240 40.304 40.800 -0.427 0.000 0.954 326 D HN 0.094 nan 8.370 nan 0.000 0.455 327 V N 0.949 120.470 119.914 -0.654 0.000 2.295 327 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 327 V C 2.640 178.388 176.094 -0.577 0.000 1.049 327 V CA 1.128 63.011 62.300 -0.694 0.000 1.024 327 V CB -0.455 31.083 31.823 -0.476 0.000 0.648 327 V HN 0.202 nan 8.190 nan 0.000 0.447 328 L N -0.092 120.893 121.223 -0.397 0.000 2.083 328 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 328 L C 2.189 178.913 176.870 -0.244 0.000 1.083 328 L CA 1.912 56.594 54.840 -0.263 0.000 0.752 328 L CB -0.753 41.202 42.059 -0.173 0.000 0.899 328 L HN 0.437 nan 8.230 nan 0.000 0.433 329 N N -0.479 118.043 118.700 -0.297 0.000 2.309 329 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 329 N C 1.812 177.167 175.510 -0.258 0.000 1.018 329 N CA 0.853 53.753 53.050 -0.251 0.000 0.876 329 N CB 0.002 38.335 38.487 -0.256 0.000 0.972 329 N HN 0.306 nan 8.380 nan 0.000 0.434 330 A N 0.540 123.135 122.820 -0.375 0.000 1.975 330 A HA 0.135 4.455 4.320 -0.000 0.000 0.215 330 A C 0.777 178.286 177.584 -0.125 0.000 1.170 330 A CA 0.170 52.064 52.037 -0.238 0.000 0.656 330 A CB -0.130 18.726 19.000 -0.241 0.000 0.821 330 A HN 0.107 nan 8.150 nan 0.000 0.449 331 L N 0.994 122.103 121.223 -0.190 0.000 2.410 331 L HA 0.094 4.434 4.340 -0.000 0.000 0.273 331 L C 1.151 177.988 176.870 -0.056 0.000 1.152 331 L CA -0.125 54.666 54.840 -0.082 0.000 0.855 331 L CB 0.750 42.748 42.059 -0.101 0.000 1.129 331 L HN 0.431 nan 8.230 nan 0.000 0.463 332 K N 3.580 123.970 120.400 -0.016 0.000 2.814 332 K HA 0.224 4.543 4.320 -0.000 0.000 0.213 332 K C -0.344 176.250 176.600 -0.010 0.000 1.113 332 K CA -0.521 55.756 56.287 -0.018 0.000 1.145 332 K CB 0.163 32.658 32.500 -0.008 0.000 0.948 332 K HN 0.639 nan 8.250 nan 0.000 0.464 333 C N -2.120 117.173 119.300 -0.011 0.000 2.668 333 C HA 0.432 4.892 4.460 -0.000 0.000 0.355 333 C C 1.615 176.604 174.990 -0.001 0.000 1.277 333 C CA -0.840 58.178 59.018 -0.000 0.000 1.787 333 C CB 1.861 29.606 27.740 0.008 0.000 2.233 333 C HN 0.623 nan 8.230 nan 0.000 0.495 334 E N 1.110 121.313 120.200 0.005 0.000 2.015 334 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 334 E C 0.038 176.643 176.600 0.009 0.000 0.991 334 E CA 1.164 57.568 56.400 0.007 0.000 0.802 334 E CB 0.064 29.770 29.700 0.010 0.000 0.759 334 E HN 0.806 nan 8.360 nan 0.000 0.447 335 N N -0.496 118.212 118.700 0.013 0.000 2.272 335 N HA 0.297 5.037 4.740 -0.000 0.000 0.305 335 N C -1.212 174.308 175.510 0.017 0.000 1.103 335 N CA -0.677 52.384 53.050 0.018 0.000 0.791 335 N CB 2.612 41.114 38.487 0.024 0.000 1.356 335 N HN -0.066 nan 8.380 nan 0.000 0.486 336 V N -1.183 118.742 119.914 0.017 0.000 2.815 336 V HA 0.654 4.774 4.120 -0.000 0.000 0.314 336 V C -0.336 175.767 176.094 0.015 0.000 1.064 336 V CA -0.963 61.344 62.300 0.011 0.000 0.952 336 V CB 1.819 33.641 31.823 -0.001 0.000 1.020 336 V HN 0.705 nan 8.190 nan 0.000 0.439 337 R N 3.416 123.916 120.500 0.000 0.000 2.480 337 R HA 0.767 5.107 4.340 -0.000 0.000 0.306 337 R C -1.052 175.218 176.300 -0.050 0.000 0.958 337 R CA -0.701 55.386 56.100 -0.023 0.000 0.861 337 R CB 1.782 32.050 30.300 -0.053 0.000 1.171 337 R HN 0.938 nan 8.270 nan 0.000 0.445 338 M N 5.161 124.735 119.600 -0.043 0.000 2.364 338 M HA 0.408 4.888 4.480 -0.000 0.000 0.334 338 M C -0.838 175.424 176.300 -0.063 0.000 1.107 338 M CA -0.624 54.647 55.300 -0.049 0.000 0.988 338 M CB 2.395 34.981 32.600 -0.023 0.000 1.673 338 M HN 0.418 nan 8.290 nan 0.000 0.441 339 M N 4.341 123.902 119.600 -0.065 0.000 2.085 339 M HA 0.544 5.024 4.480 -0.000 0.000 0.309 339 M C -1.220 175.123 176.300 0.071 0.000 0.947 339 M CA -0.141 55.135 55.300 -0.040 0.000 0.918 339 M CB 1.491 34.016 32.600 -0.124 0.000 1.504 339 M HN 0.575 nan 8.290 nan 0.000 0.420 340 L N 1.264 122.569 121.223 0.138 0.000 2.319 340 L HA 0.671 5.011 4.340 -0.000 0.000 0.267 340 L C 0.466 177.421 176.870 0.142 0.000 1.011 340 L CA -0.242 54.685 54.840 0.144 0.000 0.818 340 L CB 2.466 44.613 42.059 0.147 0.000 1.316 340 L HN 0.688 nan 8.230 nan 0.000 0.432 341 T N -0.914 113.711 114.554 0.118 0.000 3.272 341 T HA 0.191 4.541 4.350 -0.000 0.000 0.247 341 T C -1.045 173.698 174.700 0.072 0.000 0.990 341 T CA 0.193 62.348 62.100 0.093 0.000 1.213 341 T CB 0.617 69.533 68.868 0.080 0.000 1.124 341 T HN 0.838 nan 8.240 nan 0.000 0.401 342 D N -0.997 119.438 120.400 0.059 0.000 2.692 342 D HA 0.339 4.979 4.640 -0.000 0.000 0.290 342 D C 0.171 176.476 176.300 0.009 0.000 1.281 342 D CA -0.549 53.469 54.000 0.029 0.000 0.804 342 D CB 0.417 41.230 40.800 0.022 0.000 1.331 342 D HN -0.125 nan 8.370 nan 0.000 0.432 343 S N -1.013 114.674 115.700 -0.022 0.000 2.469 343 S HA -0.045 4.425 4.470 -0.000 0.000 0.238 343 S C 1.592 176.150 174.600 -0.070 0.000 0.998 343 S CA 1.036 59.200 58.200 -0.060 0.000 0.957 343 S CB -0.435 62.726 63.200 -0.065 0.000 0.764 343 S HN 0.690 nan 8.310 nan 0.000 0.514 344 V N -2.320 117.573 119.914 -0.034 0.000 3.319 344 V HA 0.449 4.569 4.120 -0.000 0.000 0.317 344 V C 0.131 176.224 176.094 -0.002 0.000 1.411 344 V CA -0.399 61.883 62.300 -0.030 0.000 1.112 344 V CB 0.200 32.012 31.823 -0.019 0.000 1.031 344 V HN 0.132 nan 8.190 nan 0.000 0.448 345 S N 1.301 117.013 115.700 0.020 0.000 2.607 345 S HA 0.695 5.164 4.470 -0.000 0.000 0.303 345 S C 0.227 174.898 174.600 0.119 0.000 1.086 345 S CA 0.013 58.249 58.200 0.060 0.000 0.995 345 S CB 1.933 65.169 63.200 0.061 0.000 1.084 345 S HN 0.829 nan 8.310 nan 0.000 0.507 346 S N 0.552 116.336 115.700 0.141 0.000 2.600 346 S HA 0.510 4.980 4.470 -0.000 0.000 0.265 346 S C -0.021 174.712 174.600 0.222 0.000 1.325 346 S CA -0.623 57.707 58.200 0.216 0.000 1.002 346 S CB 0.844 64.135 63.200 0.152 0.000 0.921 346 S HN 0.604 nan 8.310 nan 0.000 0.554 347 V N 1.237 121.290 119.914 0.232 0.000 2.630 347 V HA 0.510 4.630 4.120 -0.000 0.000 0.305 347 V C -0.536 175.576 176.094 0.031 0.000 1.046 347 V CA -0.735 61.626 62.300 0.103 0.000 0.934 347 V CB 1.594 33.398 31.823 -0.032 0.000 1.003 347 V HN 1.049 nan 8.190 nan 0.000 0.451 348 Q N 4.755 124.568 119.800 0.022 0.000 2.316 348 Q HA 0.641 4.981 4.340 -0.000 0.000 0.264 348 Q C -1.456 174.542 176.000 -0.003 0.000 0.987 348 Q CA -0.617 55.197 55.803 0.018 0.000 0.852 348 Q CB 1.756 30.507 28.738 0.021 0.000 1.287 348 Q HN 0.803 nan 8.270 nan 0.000 0.448 349 I N 2.731 123.326 120.570 0.041 0.000 2.509 349 I HA 0.471 4.641 4.170 -0.000 0.000 0.293 349 I C -0.584 175.616 176.117 0.138 0.000 1.020 349 I CA -0.600 60.724 61.300 0.041 0.000 1.088 349 I CB 2.141 40.135 38.000 -0.009 0.000 1.267 349 I HN 0.638 nan 8.210 nan 0.000 0.430 350 E N 2.563 122.812 120.200 0.083 0.000 2.413 350 E HA 0.196 4.545 4.350 -0.000 0.000 0.277 350 E C -1.625 175.017 176.600 0.071 0.000 0.958 350 E CA -0.990 55.477 56.400 0.111 0.000 0.779 350 E CB 2.239 31.968 29.700 0.047 0.000 1.278 350 E HN 0.486 nan 8.360 nan 0.000 0.456 351 D N 0.716 121.165 120.400 0.083 0.000 2.458 351 D HA 0.028 4.668 4.640 -0.000 0.000 0.243 351 D C 0.642 176.962 176.300 0.034 0.000 1.146 351 D CA 0.383 54.411 54.000 0.048 0.000 0.877 351 D CB 1.448 42.280 40.800 0.054 0.000 1.176 351 D HN 0.558 nan 8.370 nan 0.000 0.461 352 A N 3.698 126.534 122.820 0.027 0.000 2.076 352 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 352 A C 1.847 179.450 177.584 0.031 0.000 1.160 352 A CA 1.762 53.816 52.037 0.028 0.000 0.653 352 A CB -0.296 18.722 19.000 0.031 0.000 0.801 352 A HN 0.633 nan 8.150 nan 0.000 0.455 353 A N -1.786 121.051 122.820 0.029 0.000 2.348 353 A HA 0.524 4.843 4.320 -0.000 0.000 0.224 353 A C 0.771 178.370 177.584 0.026 0.000 1.227 353 A CA 0.802 52.855 52.037 0.026 0.000 0.885 353 A CB -0.065 18.948 19.000 0.023 0.000 0.933 353 A HN 0.718 nan 8.150 nan 0.000 0.506 354 S N -1.101 114.615 115.700 0.028 0.000 2.563 354 S HA 0.296 4.766 4.470 -0.000 0.000 0.279 354 S C -0.409 174.205 174.600 0.024 0.000 1.155 354 S CA -0.460 57.755 58.200 0.024 0.000 0.928 354 S CB 1.095 64.311 63.200 0.025 0.000 1.107 354 S HN 0.314 nan 8.310 nan 0.000 0.462 355 Q N 2.130 121.940 119.800 0.016 0.000 2.365 355 Q HA 0.138 4.478 4.340 -0.000 0.000 0.203 355 Q C 1.301 177.296 176.000 -0.009 0.000 0.929 355 Q CA 0.033 55.840 55.803 0.007 0.000 0.948 355 Q CB 0.125 28.869 28.738 0.009 0.000 1.043 355 Q HN 0.684 nan 8.270 nan 0.000 0.505 356 S N 0.709 116.406 115.700 -0.006 0.000 2.400 356 S HA -0.071 4.399 4.470 -0.000 0.000 0.232 356 S C 0.692 175.259 174.600 -0.054 0.000 1.025 356 S CA 0.907 59.093 58.200 -0.022 0.000 0.993 356 S CB 0.124 63.319 63.200 -0.008 0.000 0.808 356 S HN 0.443 nan 8.310 nan 0.000 0.478 357 A N -0.036 122.754 122.820 -0.051 0.000 2.422 357 A HA 0.829 5.149 4.320 -0.000 0.000 0.302 357 A C -0.812 176.660 177.584 -0.187 0.000 1.041 357 A CA -0.358 51.593 52.037 -0.143 0.000 0.708 357 A CB 1.573 20.560 19.000 -0.021 0.000 1.257 357 A HN 0.370 nan 8.150 nan 0.000 0.414 358 A N 1.120 123.676 122.820 -0.441 0.000 2.475 358 A HA 0.830 5.150 4.320 -0.000 0.000 0.301 358 A C -1.752 175.468 177.584 -0.608 0.000 1.059 358 A CA -0.408 51.442 52.037 -0.311 0.000 0.710 358 A CB 1.013 19.931 19.000 -0.137 0.000 1.288 358 A HN 0.905 nan 8.150 nan 0.000 0.408 359 Y N 0.213 120.505 120.300 -0.014 0.000 2.442 359 Y HA 0.586 5.136 4.550 -0.000 0.000 0.344 359 Y C -0.242 175.645 175.900 -0.022 0.000 0.976 359 Y CA -0.825 57.269 58.100 -0.010 0.000 1.040 359 Y CB 2.549 41.028 38.460 0.032 0.000 1.228 359 Y HN 0.443 nan 8.280 nan 0.000 0.451 360 V N 3.966 123.940 119.914 0.100 0.000 2.588 360 V HA 0.626 4.746 4.120 -0.000 0.000 0.304 360 V C -0.953 175.180 176.094 0.065 0.000 1.042 360 V CA -0.867 61.472 62.300 0.065 0.000 0.877 360 V CB 1.933 33.786 31.823 0.050 0.000 0.996 360 V HN 0.530 nan 8.190 nan 0.000 0.425 361 V N 5.303 125.257 119.914 0.066 0.000 2.531 361 V HA 0.485 4.605 4.120 -0.000 0.000 0.301 361 V C -0.065 176.200 176.094 0.285 0.000 1.034 361 V CA -0.561 61.807 62.300 0.113 0.000 0.865 361 V CB 1.794 33.617 31.823 0.000 0.000 0.995 361 V HN 0.868 nan 8.190 nan 0.000 0.424 362 M N 8.436 128.213 119.600 0.294 0.000 2.242 362 M HA 0.469 4.949 4.480 -0.000 0.000 0.344 362 M C -2.227 174.299 176.300 0.376 0.000 1.140 362 M CA -1.548 53.928 55.300 0.293 0.000 1.160 362 M CB 0.955 33.684 32.600 0.215 0.000 1.491 362 M HN 0.408 nan 8.290 nan 0.000 0.459 363 P HA 0.390 nan 4.420 nan 0.000 0.279 363 P C -1.460 175.795 177.300 -0.076 0.000 1.276 363 P CA -0.600 62.369 63.100 -0.218 0.000 0.801 363 P CB 0.706 32.157 31.700 -0.415 0.000 1.127 364 M N -1.926 117.578 119.600 -0.160 0.000 2.619 364 M HA 0.551 5.031 4.480 -0.000 0.000 0.297 364 M C -0.532 175.709 176.300 -0.098 0.000 1.229 364 M CA -1.073 54.190 55.300 -0.062 0.000 0.860 364 M CB 2.511 35.110 32.600 -0.002 0.000 1.741 364 M HN 0.002 nan 8.290 nan 0.000 0.462 365 R N 3.115 123.568 120.500 -0.079 0.000 2.458 365 R HA 0.436 4.776 4.340 -0.000 0.000 0.303 365 R C -0.646 175.595 176.300 -0.099 0.000 1.013 365 R CA 0.151 56.195 56.100 -0.093 0.000 1.026 365 R CB 0.164 30.403 30.300 -0.101 0.000 0.948 365 R HN 0.651 nan 8.270 nan 0.000 0.417 366 L N 0.000 121.173 121.223 -0.084 0.000 2.949 366 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 366 L CA 0.000 54.800 54.840 -0.066 0.000 0.813 366 L CB 0.000 42.032 42.059 -0.046 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502