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 3nne_1_F DATA FIRST_RESID 1 DATA SEQUENCE MHIDNIENLS DREFDYIVVG GGSAGAAVAA RLSEDPAVSV ALVEAGPDDR DATA SEQUENCE GVPEVLQLDR WMELLESGYD WDYPIEPQEN GNSFMRHARA KVMGGCSSHN DATA SEQUENCE ACIAFWAPRE DLDEWEAKYG ATGWNAEAAW PLYKRLETNE DAGPDAPHHG DATA SEQUENCE DSGPVHLMNV PPKDPTGVAL LDACEQAGIP RAKFNTGTTV VNGANFFQIN DATA SEQUENCE RRADGTRSSS SVSYIHPIVE QENFTLLTGL RARQLVFDAD RRCTGVDIVD DATA SEQUENCE SAFGHTHRLT ARNEVVLSTG AIDTPKLLML SGIGPAAHLA EHGIEVLVDS DATA SEQUENCE PGVGEHLQDH PEGVVQFEAK QPMVAESTQW WEIGIFTPTE DGLDRPDLMM DATA SEQUENCE HYGSVPFDMN TLRHGYPTTE NGFSLTPNVT HARSRGTVRL RSRDFRDKPM DATA SEQUENCE VDPRYFTDPE GHDMRVMVAG IRKAREIAAQ PAMAEWTGRE LSPGVEAQTD DATA SEQUENCE EELQDYIRKT HNTVYHPVGT VRMGAVEDEM SPLDPELRVK GVTGLRVADA DATA SEQUENCE SVMPEHVTVN PNITVMMIGE RCADLIRSAR 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 0.000 176.348 176.300 0.081 0.000 1.140 1 M CA 0.000 55.346 55.300 0.076 0.000 0.988 1 M CB 0.000 32.625 32.600 0.041 0.000 1.302 2 H N 3.688 122.758 119.070 0.000 0.000 2.641 2 H HA 0.506 5.063 4.556 0.000 0.000 0.295 2 H C -1.154 174.161 175.328 -0.022 0.000 1.070 2 H CA -0.571 55.468 56.048 -0.016 0.000 1.257 2 H CB 0.784 30.555 29.762 0.015 0.000 1.393 2 H HN 0.420 nan 8.280 nan 0.000 0.464 3 I N 5.987 126.493 120.570 -0.106 0.000 2.304 3 I HA -0.001 4.169 4.170 0.000 0.000 0.291 3 I C 0.313 176.293 176.117 -0.229 0.000 1.018 3 I CA -0.494 60.694 61.300 -0.186 0.000 1.260 3 I CB 0.979 38.937 38.000 -0.071 0.000 1.390 3 I HN 0.745 nan 8.210 nan 0.000 0.475 4 D N 3.886 124.096 120.400 -0.315 0.000 2.559 4 D HA 0.109 4.749 4.640 0.000 0.000 0.234 4 D C -0.017 176.234 176.300 -0.082 0.000 1.226 4 D CA -0.253 53.651 54.000 -0.158 0.000 0.830 4 D CB 0.118 40.825 40.800 -0.156 0.000 1.028 4 D HN 0.336 nan 8.370 nan 0.000 0.492 5 N N 0.677 119.327 118.700 -0.083 0.000 2.905 5 N HA 0.040 4.780 4.740 0.000 0.000 0.255 5 N C -0.185 175.273 175.510 -0.086 0.000 1.199 5 N CA -0.510 52.501 53.050 -0.065 0.000 0.911 5 N CB 0.912 39.364 38.487 -0.059 0.000 1.550 5 N HN 0.010 nan 8.380 nan 0.000 0.599 6 I N 3.076 123.577 120.570 -0.116 0.000 2.286 6 I HA -0.093 4.077 4.170 0.000 0.000 0.248 6 I C 1.936 177.944 176.117 -0.181 0.000 1.115 6 I CA 1.719 62.910 61.300 -0.182 0.000 1.392 6 I CB -0.184 37.609 38.000 -0.344 0.000 1.065 6 I HN 0.773 nan 8.210 nan 0.000 0.418 7 E N 0.573 120.675 120.200 -0.163 0.000 2.086 7 E HA -0.285 4.065 4.350 0.000 0.000 0.200 7 E C 1.025 177.580 176.600 -0.075 0.000 1.012 7 E CA 1.671 58.006 56.400 -0.108 0.000 0.812 7 E CB -0.193 29.464 29.700 -0.071 0.000 0.743 7 E HN 0.549 nan 8.360 nan 0.000 0.453 8 N N 0.575 119.235 118.700 -0.067 0.000 2.466 8 N HA 0.006 4.746 4.740 0.000 0.000 0.211 8 N C -0.669 174.814 175.510 -0.044 0.000 1.256 8 N CA 0.249 53.268 53.050 -0.051 0.000 0.840 8 N CB 0.255 38.712 38.487 -0.050 0.000 1.079 8 N HN 0.089 nan 8.380 nan 0.000 0.466 9 L N 0.363 121.559 121.223 -0.046 0.000 2.401 9 L HA 0.252 4.592 4.340 0.000 0.000 0.263 9 L C 1.248 178.102 176.870 -0.028 0.000 1.004 9 L CA -0.149 54.677 54.840 -0.023 0.000 0.881 9 L CB 1.235 43.296 42.059 0.002 0.000 1.219 9 L HN -0.155 nan 8.230 nan 0.000 0.441 10 S N 2.557 118.238 115.700 -0.031 0.000 2.356 10 S HA -0.132 4.338 4.470 0.000 0.000 0.223 10 S C 0.575 175.143 174.600 -0.054 0.000 1.032 10 S CA 1.266 59.443 58.200 -0.038 0.000 1.005 10 S CB -0.075 63.103 63.200 -0.038 0.000 0.867 10 S HN 0.796 nan 8.310 nan 0.000 0.449 11 D N 0.217 120.573 120.400 -0.073 0.000 2.280 11 D HA 0.277 4.918 4.640 0.000 0.000 0.243 11 D C 0.338 176.517 176.300 -0.202 0.000 1.129 11 D CA -0.254 53.659 54.000 -0.145 0.000 0.848 11 D CB 0.605 41.297 40.800 -0.181 0.000 1.107 11 D HN 0.200 nan 8.370 nan 0.000 0.471 12 R N 3.141 123.521 120.500 -0.201 0.000 2.652 12 R HA 0.217 4.557 4.340 0.000 0.000 0.372 12 R C -0.221 175.939 176.300 -0.233 0.000 1.104 12 R CA -0.320 55.712 56.100 -0.112 0.000 1.072 12 R CB 0.653 30.961 30.300 0.013 0.000 1.367 12 R HN 0.460 nan 8.270 nan 0.000 0.577 13 E N 0.696 120.542 120.200 -0.589 0.000 2.222 13 E HA 0.474 4.824 4.350 0.000 0.000 0.267 13 E C -1.363 174.761 176.600 -0.793 0.000 0.884 13 E CA -0.557 55.569 56.400 -0.458 0.000 0.764 13 E CB 1.191 30.739 29.700 -0.254 0.000 1.169 13 E HN -0.107 nan 8.360 nan 0.000 0.413 14 F N 1.284 121.204 119.950 -0.049 0.000 2.626 14 F HA 0.258 4.785 4.527 0.000 0.000 0.311 14 F C 0.876 176.625 175.800 -0.085 0.000 1.088 14 F CA -0.806 57.169 58.000 -0.043 0.000 0.949 14 F CB 1.631 40.619 39.000 -0.020 0.000 1.322 14 F HN 0.411 nan 8.300 nan 0.000 0.461 15 D N 0.088 120.544 120.400 0.094 0.000 2.149 15 D HA -0.074 4.566 4.640 0.000 0.000 0.201 15 D C -0.549 175.523 176.300 -0.380 0.000 0.972 15 D CA 1.844 55.743 54.000 -0.168 0.000 0.835 15 D CB 0.142 40.847 40.800 -0.157 0.000 0.966 15 D HN 0.329 nan 8.370 nan 0.000 0.476 16 Y N -0.412 119.960 120.300 0.121 0.000 2.421 16 Y HA 0.410 4.960 4.550 0.000 0.000 0.339 16 Y C -0.128 175.789 175.900 0.027 0.000 0.996 16 Y CA -0.796 57.341 58.100 0.063 0.000 1.046 16 Y CB 2.145 40.633 38.460 0.047 0.000 1.226 16 Y HN -0.313 nan 8.280 nan 0.000 0.445 17 I N 4.794 125.451 120.570 0.146 0.000 2.362 17 I HA 0.431 4.602 4.170 0.000 0.000 0.289 17 I C -0.996 175.135 176.117 0.024 0.000 0.994 17 I CA -1.009 60.306 61.300 0.024 0.000 1.158 17 I CB 1.460 39.456 38.000 -0.008 0.000 1.315 17 I HN 0.246 nan 8.210 nan 0.000 0.451 18 V N 7.079 126.986 119.914 -0.013 0.000 2.417 18 V HA 0.356 4.476 4.120 0.000 0.000 0.291 18 V C 0.020 176.099 176.094 -0.025 0.000 1.024 18 V CA -0.719 61.575 62.300 -0.010 0.000 0.861 18 V CB 2.053 33.874 31.823 -0.003 0.000 0.985 18 V HN 0.412 nan 8.190 nan 0.000 0.436 19 V N 3.714 123.616 119.914 -0.020 0.000 2.328 19 V HA 0.858 4.978 4.120 0.000 0.000 0.278 19 V C 0.615 176.706 176.094 -0.004 0.000 1.021 19 V CA 0.164 62.454 62.300 -0.016 0.000 0.838 19 V CB 0.761 32.571 31.823 -0.022 0.000 0.999 19 V HN 1.323 nan 8.190 nan 0.000 0.447 20 G N 3.475 112.286 108.800 0.018 0.000 3.383 20 G HA2 0.074 4.034 3.960 0.000 0.000 0.685 20 G HA3 0.074 4.034 3.960 0.000 0.000 0.685 20 G C 0.153 175.069 174.900 0.027 0.000 1.104 20 G CA -0.508 44.615 45.100 0.038 0.000 0.957 20 G HN 1.338 nan 8.290 nan 0.000 0.461 21 G N 1.314 110.142 108.800 0.047 0.000 3.636 21 G HA2 0.654 4.614 3.960 0.000 0.000 0.260 21 G HA3 0.654 4.614 3.960 0.000 0.000 0.260 21 G C 0.972 175.889 174.900 0.028 0.000 1.014 21 G CA 0.861 45.982 45.100 0.035 0.000 1.797 21 G HN 1.222 nan 8.290 nan 0.000 0.637 22 G N 0.562 109.369 108.800 0.012 0.000 2.666 22 G HA2 0.311 4.271 3.960 0.000 0.000 0.207 22 G HA3 0.311 4.271 3.960 0.000 0.000 0.207 22 G C 1.350 176.240 174.900 -0.017 0.000 1.481 22 G CA 0.440 45.544 45.100 0.007 0.000 1.071 22 G HN 0.292 nan 8.290 nan 0.000 0.572 23 S N 0.098 115.788 115.700 -0.017 0.000 2.355 23 S HA -0.044 4.426 4.470 0.000 0.000 0.222 23 S C 2.651 177.210 174.600 -0.069 0.000 1.031 23 S CA 1.362 59.550 58.200 -0.020 0.000 0.993 23 S CB -0.440 62.761 63.200 0.001 0.000 0.859 23 S HN 0.730 nan 8.310 nan 0.000 0.453 24 A N 1.347 124.127 122.820 -0.067 0.000 1.930 24 A HA 0.232 4.552 4.320 0.000 0.000 0.215 24 A C 2.262 179.765 177.584 -0.135 0.000 1.176 24 A CA 1.440 53.420 52.037 -0.096 0.000 0.632 24 A CB -1.166 17.799 19.000 -0.059 0.000 0.819 24 A HN 0.506 nan 8.150 nan 0.000 0.445 25 G N -0.637 108.104 108.800 -0.098 0.000 2.396 25 G HA2 0.135 4.095 3.960 0.000 0.000 0.214 25 G HA3 0.135 4.095 3.960 0.000 0.000 0.214 25 G C 1.690 176.526 174.900 -0.108 0.000 1.166 25 G CA 1.108 46.160 45.100 -0.081 0.000 0.793 25 G HN 0.699 nan 8.290 nan 0.000 0.533 26 A N 1.125 123.871 122.820 -0.123 0.000 1.930 26 A HA 0.340 4.660 4.320 0.000 0.000 0.217 26 A C 2.747 180.114 177.584 -0.362 0.000 1.175 26 A CA 2.070 54.027 52.037 -0.134 0.000 0.627 26 A CB -0.614 18.349 19.000 -0.061 0.000 0.815 26 A HN 0.652 nan 8.150 nan 0.000 0.443 27 A N -0.730 121.713 122.820 -0.628 0.000 1.873 27 A HA 0.019 4.339 4.320 0.000 0.000 0.215 27 A C 2.311 179.587 177.584 -0.514 0.000 1.186 27 A CA 1.658 53.040 52.037 -1.092 0.000 0.616 27 A CB -1.054 17.318 19.000 -1.047 0.000 0.823 27 A HN 0.863 nan 8.150 nan 0.000 0.442 28 V N -0.282 119.452 119.914 -0.301 0.000 2.515 28 V HA -0.068 4.052 4.120 0.000 0.000 0.250 28 V C 2.594 178.597 176.094 -0.152 0.000 1.058 28 V CA 2.137 64.322 62.300 -0.193 0.000 1.064 28 V CB -0.568 31.172 31.823 -0.137 0.000 0.675 28 V HN 0.565 nan 8.190 nan 0.000 0.461 29 A N -0.159 122.589 122.820 -0.120 0.000 1.929 29 A HA 0.107 4.427 4.320 0.000 0.000 0.216 29 A C 2.398 179.938 177.584 -0.074 0.000 1.176 29 A CA 1.762 53.785 52.037 -0.024 0.000 0.628 29 A CB -0.835 18.224 19.000 0.100 0.000 0.816 29 A HN 0.816 nan 8.150 nan 0.000 0.444 30 A N -0.584 122.139 122.820 -0.161 0.000 1.929 30 A HA -0.070 4.250 4.320 0.000 0.000 0.216 30 A C 2.183 179.715 177.584 -0.087 0.000 1.176 30 A CA 1.213 53.150 52.037 -0.167 0.000 0.628 30 A CB -0.316 18.666 19.000 -0.029 0.000 0.816 30 A HN 0.339 nan 8.150 nan 0.000 0.444 31 R N -0.287 120.163 120.500 -0.082 0.000 2.093 31 R HA 0.101 4.441 4.340 0.000 0.000 0.224 31 R C 2.005 178.269 176.300 -0.060 0.000 1.101 31 R CA 0.899 56.967 56.100 -0.053 0.000 0.979 31 R CB -1.125 29.137 30.300 -0.064 0.000 0.877 31 R HN 0.566 nan 8.270 nan 0.000 0.441 32 L N 1.214 122.385 121.223 -0.086 0.000 2.046 32 L HA -0.138 4.202 4.340 0.000 0.000 0.208 32 L C 2.174 179.043 176.870 -0.003 0.000 1.077 32 L CA 1.691 56.476 54.840 -0.092 0.000 0.747 32 L CB -0.583 41.369 42.059 -0.178 0.000 0.896 32 L HN 0.206 nan 8.230 nan 0.000 0.432 33 S N -1.235 114.477 115.700 0.021 0.000 2.595 33 S HA -0.134 4.336 4.470 0.000 0.000 0.235 33 S C 1.511 176.132 174.600 0.035 0.000 0.974 33 S CA 0.625 58.865 58.200 0.067 0.000 0.942 33 S CB -0.340 62.903 63.200 0.072 0.000 0.766 33 S HN 0.450 nan 8.310 nan 0.000 0.536 34 E N 0.979 121.185 120.200 0.010 0.000 2.274 34 E HA -0.012 4.338 4.350 0.000 0.000 0.194 34 E C 0.030 176.644 176.600 0.024 0.000 0.996 34 E CA 0.355 56.760 56.400 0.009 0.000 0.840 34 E CB 0.094 29.794 29.700 -0.000 0.000 0.772 34 E HN 0.499 nan 8.360 nan 0.000 0.491 35 D N -0.012 120.409 120.400 0.036 0.000 2.295 35 D HA 0.035 4.675 4.640 0.000 0.000 0.248 35 D C -1.925 174.414 176.300 0.065 0.000 1.154 35 D CA -2.351 51.677 54.000 0.048 0.000 0.857 35 D CB 1.438 42.271 40.800 0.056 0.000 1.117 35 D HN -0.136 nan 8.370 nan 0.000 0.468 36 P HA 0.044 nan 4.420 nan 0.000 0.233 36 P C 0.733 178.074 177.300 0.069 0.000 1.167 36 P CA 0.424 63.562 63.100 0.063 0.000 0.770 36 P CB 0.286 32.016 31.700 0.049 0.000 0.837 37 A N -0.692 122.168 122.820 0.067 0.000 2.014 37 A HA 0.051 4.371 4.320 0.000 0.000 0.218 37 A C 1.191 178.824 177.584 0.083 0.000 1.163 37 A CA 0.850 52.926 52.037 0.064 0.000 0.652 37 A CB -0.764 18.270 19.000 0.057 0.000 0.808 37 A HN 0.066 nan 8.150 nan 0.000 0.449 38 V N -0.387 119.597 119.914 0.116 0.000 2.837 38 V HA 0.501 4.621 4.120 0.000 0.000 0.310 38 V C 0.227 176.433 176.094 0.186 0.000 1.059 38 V CA -0.340 62.062 62.300 0.170 0.000 1.004 38 V CB 1.690 33.654 31.823 0.236 0.000 1.045 38 V HN 0.218 nan 8.190 nan 0.000 0.465 39 S N 1.763 117.594 115.700 0.219 0.000 2.552 39 S HA 0.679 5.149 4.470 0.000 0.000 0.314 39 S C -1.021 173.775 174.600 0.327 0.000 1.099 39 S CA -0.429 57.917 58.200 0.244 0.000 1.070 39 S CB 1.309 64.615 63.200 0.176 0.000 0.998 39 S HN 0.449 nan 8.310 nan 0.000 0.474 40 V N 4.178 124.275 119.914 0.306 0.000 2.407 40 V HA 0.717 4.837 4.120 0.000 0.000 0.291 40 V C 0.106 176.154 176.094 -0.077 0.000 1.018 40 V CA -0.716 61.715 62.300 0.218 0.000 0.842 40 V CB 1.250 33.258 31.823 0.308 0.000 0.996 40 V HN 0.969 nan 8.190 nan 0.000 0.426 41 A N 5.409 128.017 122.820 -0.354 0.000 2.292 41 A HA 0.836 5.156 4.320 0.000 0.000 0.319 41 A C -0.935 176.454 177.584 -0.326 0.000 1.206 41 A CA -0.433 51.162 52.037 -0.737 0.000 0.835 41 A CB 0.980 19.141 19.000 -1.398 0.000 1.164 41 A HN 0.809 nan 8.150 nan 0.000 0.505 42 L N 4.054 125.102 121.223 -0.291 0.000 2.294 42 L HA 0.616 4.956 4.340 0.000 0.000 0.283 42 L C -1.031 175.771 176.870 -0.112 0.000 1.015 42 L CA -0.211 54.573 54.840 -0.093 0.000 0.831 42 L CB 1.523 43.643 42.059 0.100 0.000 1.217 42 L HN 0.354 nan 8.230 nan 0.000 0.420 43 V N 4.565 124.434 119.914 -0.074 0.000 2.334 43 V HA 0.570 4.690 4.120 0.000 0.000 0.281 43 V C -0.328 175.775 176.094 0.015 0.000 1.016 43 V CA -0.539 61.734 62.300 -0.045 0.000 0.832 43 V CB 1.246 33.036 31.823 -0.056 0.000 0.999 43 V HN 0.796 nan 8.190 nan 0.000 0.439 44 E N 4.076 124.303 120.200 0.045 0.000 2.222 44 E HA 0.727 5.077 4.350 0.000 0.000 0.267 44 E C 0.545 177.219 176.600 0.123 0.000 0.884 44 E CA -0.071 56.384 56.400 0.091 0.000 0.764 44 E CB 2.117 31.870 29.700 0.090 0.000 1.169 44 E HN 0.538 nan 8.360 nan 0.000 0.413 45 A N 3.562 126.500 122.820 0.197 0.000 1.970 45 A HA 0.245 4.565 4.320 0.000 0.000 0.216 45 A C 1.224 178.875 177.584 0.111 0.000 1.170 45 A CA 1.112 53.281 52.037 0.221 0.000 0.645 45 A CB -0.709 18.569 19.000 0.464 0.000 0.816 45 A HN 0.585 nan 8.150 nan 0.000 0.447 46 G N -0.545 108.313 108.800 0.097 0.000 2.563 46 G HA2 0.477 4.437 3.960 0.000 0.000 0.283 46 G HA3 0.477 4.437 3.960 0.000 0.000 0.283 46 G C -2.471 172.470 174.900 0.070 0.000 1.309 46 G CA -1.069 44.048 45.100 0.029 0.000 1.022 46 G HN 0.242 nan 8.290 nan 0.000 0.501 47 P HA 0.215 nan 4.420 nan 0.000 0.284 47 P C -0.954 176.419 177.300 0.121 0.000 1.292 47 P CA -0.434 62.737 63.100 0.119 0.000 0.800 47 P CB 1.210 32.995 31.700 0.141 0.000 1.188 48 D N -0.748 119.711 120.400 0.099 0.000 2.313 48 D HA 0.025 4.665 4.640 0.000 0.000 0.247 48 D C 0.743 177.079 176.300 0.059 0.000 1.094 48 D CA -0.147 53.869 54.000 0.027 0.000 0.925 48 D CB 0.489 41.245 40.800 -0.073 0.000 1.188 48 D HN 0.252 nan 8.370 nan 0.000 0.430 49 D N 2.181 122.617 120.400 0.060 0.000 2.277 49 D HA -0.062 4.578 4.640 0.000 0.000 0.209 49 D C 0.279 176.606 176.300 0.046 0.000 0.970 49 D CA -0.025 54.012 54.000 0.062 0.000 0.874 49 D CB -0.328 40.530 40.800 0.096 0.000 0.982 49 D HN 0.293 nan 8.370 nan 0.000 0.504 50 R N 0.623 121.111 120.500 -0.020 0.000 2.481 50 R HA 0.228 4.568 4.340 0.000 0.000 0.291 50 R C 1.263 177.551 176.300 -0.020 0.000 0.934 50 R CA 1.178 57.222 56.100 -0.093 0.000 1.116 50 R CB -0.222 29.902 30.300 -0.294 0.000 0.895 50 R HN 0.425 nan 8.270 nan 0.000 0.410 51 G N 1.475 110.277 108.800 0.004 0.000 2.159 51 G HA2 -0.267 3.694 3.960 0.000 0.000 0.256 51 G HA3 -0.267 3.694 3.960 0.000 0.000 0.256 51 G C 0.018 174.938 174.900 0.032 0.000 0.977 51 G CA 0.077 45.190 45.100 0.021 0.000 0.652 51 G HN 0.460 nan 8.290 nan 0.000 0.531 52 V N 1.036 120.965 119.914 0.026 0.000 2.239 52 V HA 0.284 4.404 4.120 0.000 0.000 0.267 52 V C -0.507 175.583 176.094 -0.007 0.000 1.056 52 V CA -0.730 61.577 62.300 0.012 0.000 0.830 52 V CB 1.268 33.080 31.823 -0.020 0.000 1.090 52 V HN 0.079 nan 8.190 nan 0.000 0.459 53 P HA -0.200 nan 4.420 nan 0.000 0.215 53 P C 1.634 178.947 177.300 0.022 0.000 1.153 53 P CA 1.287 64.403 63.100 0.027 0.000 0.853 53 P CB 0.254 31.977 31.700 0.038 0.000 0.788 54 E N -0.128 120.077 120.200 0.009 0.000 2.204 54 E HA -0.104 4.246 4.350 0.000 0.000 0.195 54 E C 1.812 178.397 176.600 -0.025 0.000 0.990 54 E CA 1.228 57.633 56.400 0.009 0.000 0.821 54 E CB -1.238 28.476 29.700 0.023 0.000 0.750 54 E HN 0.121 nan 8.360 nan 0.000 0.477 55 V N 1.604 121.454 119.914 -0.107 0.000 2.331 55 V HA -0.144 3.976 4.120 0.000 0.000 0.242 55 V C 2.580 178.673 176.094 -0.002 0.000 1.034 55 V CA 1.122 63.361 62.300 -0.101 0.000 1.027 55 V CB -0.381 31.308 31.823 -0.223 0.000 0.667 55 V HN 0.178 nan 8.190 nan 0.000 0.457 56 L N -0.624 120.604 121.223 0.008 0.000 2.201 56 L HA -0.063 4.277 4.340 0.000 0.000 0.212 56 L C 1.388 178.289 176.870 0.052 0.000 1.105 56 L CA 0.925 55.786 54.840 0.034 0.000 0.775 56 L CB -0.245 41.841 42.059 0.045 0.000 0.913 56 L HN 0.350 nan 8.230 nan 0.000 0.440 57 Q N 0.918 120.757 119.800 0.066 0.000 2.361 57 Q HA 0.040 4.380 4.340 0.000 0.000 0.250 57 Q C 0.886 176.969 176.000 0.138 0.000 1.023 57 Q CA -0.317 55.540 55.803 0.089 0.000 0.915 57 Q CB 1.465 30.258 28.738 0.090 0.000 1.238 57 Q HN 0.152 nan 8.270 nan 0.000 0.451 58 L N 4.620 125.925 121.223 0.137 0.000 2.043 58 L HA -0.243 4.097 4.340 0.000 0.000 0.212 58 L C 1.681 178.754 176.870 0.337 0.000 1.075 58 L CA 2.537 57.498 54.840 0.201 0.000 0.752 58 L CB -0.300 41.834 42.059 0.125 0.000 0.891 58 L HN 0.745 nan 8.230 nan 0.000 0.432 59 D N -1.048 119.503 120.400 0.252 0.000 2.389 59 D HA -0.223 4.417 4.640 0.000 0.000 0.221 59 D C 1.490 178.071 176.300 0.468 0.000 0.974 59 D CA 1.055 55.255 54.000 0.334 0.000 0.923 59 D CB -0.447 40.453 40.800 0.166 0.000 0.892 59 D HN 0.466 nan 8.370 nan 0.000 0.518 60 R N 0.078 120.764 120.500 0.310 0.000 2.427 60 R HA 0.112 4.452 4.340 0.000 0.000 0.262 60 R C 1.456 177.849 176.300 0.156 0.000 0.943 60 R CA -0.150 56.064 56.100 0.189 0.000 1.081 60 R CB -0.263 30.115 30.300 0.130 0.000 1.166 60 R HN 0.449 nan 8.270 nan 0.000 0.534 61 W N 0.640 122.034 121.300 0.156 0.000 2.358 61 W HA -0.137 4.523 4.660 0.000 0.000 0.303 61 W C 1.110 177.659 176.519 0.051 0.000 1.208 61 W CA 0.566 57.965 57.345 0.090 0.000 1.274 61 W CB -0.731 28.781 29.460 0.086 0.000 1.138 61 W HN -0.040 nan 8.180 nan 0.000 0.515 62 M N 1.284 120.396 119.600 -0.814 0.000 2.435 62 M HA -0.168 4.312 4.480 0.000 0.000 0.262 62 M C 1.601 177.711 176.300 -0.316 0.000 1.065 62 M CA 1.776 56.579 55.300 -0.829 0.000 1.076 62 M CB -0.542 31.486 32.600 -0.954 0.000 1.403 62 M HN 0.063 nan 8.290 nan 0.000 0.454 63 E N 0.311 120.407 120.200 -0.173 0.000 2.418 63 E HA -0.052 4.298 4.350 0.000 0.000 0.197 63 E C 1.502 178.107 176.600 0.008 0.000 1.026 63 E CA 0.562 56.921 56.400 -0.069 0.000 0.862 63 E CB -0.010 29.673 29.700 -0.029 0.000 0.799 63 E HN 0.527 nan 8.360 nan 0.000 0.518 64 L N 0.525 121.775 121.223 0.044 0.000 2.567 64 L HA 0.124 4.464 4.340 0.000 0.000 0.225 64 L C 0.281 177.232 176.870 0.135 0.000 1.119 64 L CA -0.143 54.778 54.840 0.135 0.000 0.871 64 L CB 0.167 42.340 42.059 0.190 0.000 1.036 64 L HN 0.038 nan 8.230 nan 0.000 0.459 65 L N 0.526 121.780 121.223 0.051 0.000 2.367 65 L HA 0.089 4.429 4.340 0.000 0.000 0.275 65 L C 0.577 177.483 176.870 0.060 0.000 1.129 65 L CA -0.018 54.850 54.840 0.047 0.000 0.839 65 L CB 0.306 42.361 42.059 -0.006 0.000 1.133 65 L HN 0.181 nan 8.230 nan 0.000 0.453 66 E N 0.251 120.502 120.200 0.084 0.000 2.586 66 E HA -0.226 4.124 4.350 0.000 0.000 0.259 66 E C 0.085 176.707 176.600 0.037 0.000 1.107 66 E CA 0.662 57.095 56.400 0.055 0.000 0.754 66 E CB -0.941 28.782 29.700 0.040 0.000 1.335 66 E HN 0.799 nan 8.360 nan 0.000 0.411 67 S N -2.026 113.711 115.700 0.062 0.000 2.647 67 S HA 0.594 5.064 4.470 0.000 0.000 0.284 67 S C 1.498 176.079 174.600 -0.031 0.000 1.134 67 S CA -0.374 57.856 58.200 0.050 0.000 1.027 67 S CB 1.356 64.651 63.200 0.159 0.000 1.180 67 S HN 0.205 nan 8.310 nan 0.000 0.521 68 G N -1.042 107.675 108.800 -0.137 0.000 2.650 68 G HA2 0.030 3.991 3.960 0.000 0.000 0.214 68 G HA3 0.030 3.991 3.960 0.000 0.000 0.214 68 G C 0.457 175.078 174.900 -0.465 0.000 1.136 68 G CA 0.093 45.001 45.100 -0.320 0.000 0.789 68 G HN 0.718 nan 8.290 nan 0.000 0.536 69 Y N 0.160 120.426 120.300 -0.056 0.000 2.462 69 Y HA 0.242 4.792 4.550 0.000 0.000 0.293 69 Y C 0.359 176.231 175.900 -0.047 0.000 1.195 69 Y CA -0.469 57.597 58.100 -0.057 0.000 1.276 69 Y CB 0.385 38.855 38.460 0.017 0.000 1.082 69 Y HN 0.007 nan 8.280 nan 0.000 0.514 70 D N -1.385 119.034 120.400 0.031 0.000 2.408 70 D HA 0.082 4.722 4.640 0.000 0.000 0.243 70 D C 0.058 176.324 176.300 -0.057 0.000 1.075 70 D CA -0.882 53.168 54.000 0.083 0.000 0.832 70 D CB 0.694 41.576 40.800 0.137 0.000 1.162 70 D HN 0.085 nan 8.370 nan 0.000 0.515 71 W N 2.001 123.255 121.300 -0.077 0.000 2.342 71 W HA -0.091 4.569 4.660 0.000 0.000 0.297 71 W C 0.698 176.949 176.519 -0.447 0.000 1.213 71 W CA 0.847 58.005 57.345 -0.312 0.000 1.251 71 W CB -0.171 28.980 29.460 -0.516 0.000 1.136 71 W HN 0.494 nan 8.180 nan 0.000 0.526 72 D N -1.585 118.782 120.400 -0.054 0.000 3.515 72 D HA -0.209 4.432 4.640 0.000 0.000 0.247 72 D C -1.595 174.679 176.300 -0.043 0.000 1.084 72 D CA 0.387 54.389 54.000 0.003 0.000 1.030 72 D CB -1.600 39.205 40.800 0.009 0.000 0.946 72 D HN 0.125 nan 8.370 nan 0.000 0.420 73 Y N 2.020 122.468 120.300 0.247 0.000 2.434 73 Y HA 0.435 4.985 4.550 0.000 0.000 0.341 73 Y C -1.655 174.360 175.900 0.193 0.000 0.965 73 Y CA -2.179 56.041 58.100 0.199 0.000 1.205 73 Y CB 1.220 39.785 38.460 0.174 0.000 1.121 73 Y HN 0.059 nan 8.280 nan 0.000 0.507 74 P HA 0.148 nan 4.420 nan 0.000 0.275 74 P C 0.056 177.468 177.300 0.187 0.000 1.227 74 P CA -0.274 62.938 63.100 0.188 0.000 0.781 74 P CB 0.863 32.631 31.700 0.112 0.000 0.906 75 I N -1.242 119.429 120.570 0.169 0.000 2.970 75 I HA 0.410 4.580 4.170 0.000 0.000 0.310 75 I C 0.358 176.525 176.117 0.084 0.000 1.010 75 I CA -0.896 60.497 61.300 0.155 0.000 1.228 75 I CB 0.539 38.669 38.000 0.217 0.000 1.433 75 I HN 0.107 nan 8.210 nan 0.000 0.573 76 E N 2.699 122.935 120.200 0.061 0.000 2.383 76 E HA 0.283 4.633 4.350 0.000 0.000 0.264 76 E C -2.242 174.380 176.600 0.036 0.000 1.050 76 E CA -1.631 54.788 56.400 0.031 0.000 0.896 76 E CB 0.174 29.880 29.700 0.011 0.000 0.982 76 E HN 0.432 nan 8.360 nan 0.000 0.424 77 P HA -0.074 nan 4.420 nan 0.000 0.264 77 P C -0.392 176.942 177.300 0.058 0.000 1.179 77 P CA 0.500 63.613 63.100 0.021 0.000 0.763 77 P CB 0.472 32.174 31.700 0.004 0.000 0.806 78 Q N 2.082 121.940 119.800 0.096 0.000 2.256 78 Q HA 0.149 4.489 4.340 0.000 0.000 0.257 78 Q C 1.014 177.091 176.000 0.127 0.000 0.936 78 Q CA -0.308 55.581 55.803 0.143 0.000 0.903 78 Q CB 1.494 30.384 28.738 0.254 0.000 1.263 78 Q HN 0.470 nan 8.270 nan 0.000 0.440 79 E N 1.277 121.546 120.200 0.115 0.000 2.028 79 E HA -0.157 4.193 4.350 0.000 0.000 0.191 79 E C 0.538 177.214 176.600 0.125 0.000 0.988 79 E CA 1.043 57.502 56.400 0.097 0.000 0.799 79 E CB 0.210 29.955 29.700 0.076 0.000 0.755 79 E HN 0.349 nan 8.360 nan 0.000 0.447 80 N N -0.172 118.635 118.700 0.177 0.000 2.480 80 N HA 0.187 4.927 4.740 0.000 0.000 0.281 80 N C -0.864 174.833 175.510 0.310 0.000 1.381 80 N CA -0.047 53.125 53.050 0.203 0.000 0.903 80 N CB 1.098 39.706 38.487 0.201 0.000 1.274 80 N HN 0.159 nan 8.380 nan 0.000 0.505 81 G N -0.473 108.528 108.800 0.335 0.000 3.021 81 G HA2 0.203 4.163 3.960 0.000 0.000 0.290 81 G HA3 0.203 4.163 3.960 0.000 0.000 0.290 81 G C -1.403 173.703 174.900 0.344 0.000 1.291 81 G CA -0.611 44.798 45.100 0.515 0.000 0.834 81 G HN 0.232 nan 8.290 nan 0.000 0.564 82 N N 0.009 118.877 118.700 0.279 0.000 2.699 82 N HA 0.262 5.003 4.740 0.000 0.000 0.232 82 N C 0.767 176.336 175.510 0.099 0.000 1.027 82 N CA -0.332 52.736 53.050 0.031 0.000 0.920 82 N CB 1.186 39.446 38.487 -0.378 0.000 1.148 82 N HN 0.123 nan 8.380 nan 0.000 0.509 83 S N 2.149 117.936 115.700 0.145 0.000 2.584 83 S HA 0.025 4.495 4.470 0.000 0.000 0.240 83 S C 0.596 175.154 174.600 -0.070 0.000 0.975 83 S CA 0.399 58.625 58.200 0.042 0.000 0.949 83 S CB -0.421 62.759 63.200 -0.033 0.000 0.761 83 S HN 0.584 nan 8.310 nan 0.000 0.536 84 F N 0.424 120.377 119.950 0.005 0.000 2.695 84 F HA 0.382 4.909 4.527 0.000 0.000 0.303 84 F C 0.950 176.733 175.800 -0.028 0.000 1.091 84 F CA -0.263 57.730 58.000 -0.012 0.000 1.300 84 F CB 0.087 39.066 39.000 -0.036 0.000 1.071 84 F HN 0.171 nan 8.300 nan 0.000 0.578 85 M N 1.608 121.270 119.600 0.103 0.000 2.248 85 M HA 0.220 4.700 4.480 0.000 0.000 0.337 85 M C -0.320 176.015 176.300 0.059 0.000 1.121 85 M CA 0.588 55.897 55.300 0.015 0.000 1.155 85 M CB 0.546 33.086 32.600 -0.100 0.000 1.514 85 M HN 0.018 nan 8.290 nan 0.000 0.452 86 R N 2.621 123.153 120.500 0.053 0.000 2.621 86 R HA 0.358 4.698 4.340 0.000 0.000 0.292 86 R C -1.024 175.364 176.300 0.147 0.000 0.969 86 R CA -0.888 55.293 56.100 0.136 0.000 0.887 86 R CB 1.406 31.803 30.300 0.163 0.000 1.180 86 R HN 0.647 nan 8.270 nan 0.000 0.450 87 H N 1.690 120.935 119.070 0.291 0.000 2.908 87 H HA 0.211 4.767 4.556 0.000 0.000 0.269 87 H C -0.213 175.378 175.328 0.438 0.000 1.303 87 H CA -0.284 55.981 56.048 0.360 0.000 1.341 87 H CB 0.919 30.863 29.762 0.304 0.000 1.519 87 H HN 0.662 nan 8.280 nan 0.000 0.505 88 A N 5.163 128.337 122.820 0.589 0.000 2.492 88 A HA 0.291 4.611 4.320 0.000 0.000 0.254 88 A C 0.392 178.349 177.584 0.622 0.000 1.091 88 A CA -0.057 52.272 52.037 0.488 0.000 0.768 88 A CB 0.235 19.405 19.000 0.283 0.000 1.028 88 A HN 0.557 nan 8.150 nan 0.000 0.498 89 R N 1.441 122.267 120.500 0.543 0.000 2.538 89 R HA 0.520 4.860 4.340 0.000 0.000 0.292 89 R C -0.395 176.095 176.300 0.316 0.000 1.008 89 R CA -0.340 56.021 56.100 0.434 0.000 0.896 89 R CB 1.884 32.495 30.300 0.518 0.000 1.187 89 R HN 0.872 nan 8.270 nan 0.000 0.440 90 A N 2.738 125.470 122.820 -0.147 0.000 2.440 90 A HA 0.208 4.528 4.320 0.000 0.000 0.251 90 A C 0.032 177.724 177.584 0.179 0.000 1.089 90 A CA 0.083 52.059 52.037 -0.101 0.000 0.779 90 A CB 0.327 19.089 19.000 -0.396 0.000 1.022 90 A HN 0.579 nan 8.150 nan 0.000 0.492 91 K N 2.360 122.814 120.400 0.090 0.000 2.592 91 K HA 0.545 4.865 4.320 0.000 0.000 0.212 91 K C -1.526 175.118 176.600 0.073 0.000 1.013 91 K CA -0.200 56.074 56.287 -0.022 0.000 1.034 91 K CB 0.868 32.942 32.500 -0.710 0.000 1.292 91 K HN 0.756 nan 8.250 nan 0.000 0.521 92 V N 3.470 123.465 119.914 0.135 0.000 2.989 92 V HA 0.125 4.246 4.120 0.000 0.000 0.259 92 V C -1.423 174.735 176.094 0.107 0.000 1.813 92 V CA -1.001 61.389 62.300 0.149 0.000 0.939 92 V CB 1.917 33.849 31.823 0.183 0.000 1.361 92 V HN 0.640 nan 8.190 nan 0.000 0.454 93 M N 3.459 123.117 119.600 0.096 0.000 2.248 93 M HA 0.327 4.807 4.480 0.000 0.000 0.343 93 M C 1.494 177.833 176.300 0.065 0.000 1.243 93 M CA 1.895 57.245 55.300 0.083 0.000 1.025 93 M CB -0.339 32.314 32.600 0.089 0.000 1.759 93 M HN 1.630 nan 8.290 nan 0.000 0.452 94 G N 1.913 110.744 108.800 0.051 0.000 2.254 94 G HA2 -0.099 3.861 3.960 0.000 0.000 0.225 94 G HA3 -0.099 3.861 3.960 0.000 0.000 0.225 94 G C 0.754 175.667 174.900 0.020 0.000 1.003 94 G CA 0.286 45.402 45.100 0.026 0.000 0.622 94 G HN 1.520 nan 8.290 nan 0.000 0.507 95 G N -0.992 107.827 108.800 0.033 0.000 2.547 95 G HA2 -0.217 3.743 3.960 0.000 0.000 0.271 95 G HA3 -0.217 3.743 3.960 0.000 0.000 0.271 95 G C 1.258 176.121 174.900 -0.062 0.000 1.209 95 G CA 1.200 46.311 45.100 0.018 0.000 0.959 95 G HN 1.406 nan 8.290 nan 0.000 0.563 96 C N 0.917 120.160 119.300 -0.095 0.000 2.448 96 C HA 0.199 4.659 4.460 0.000 0.000 0.280 96 C C 3.300 178.297 174.990 0.012 0.000 1.398 96 C CA 1.857 60.764 59.018 -0.186 0.000 1.774 96 C CB -1.311 26.392 27.740 -0.061 0.000 1.888 96 C HN 1.200 nan 8.230 nan 0.000 0.519 97 S N 1.070 116.776 115.700 0.010 0.000 2.441 97 S HA -0.170 4.300 4.470 0.000 0.000 0.242 97 S C 1.657 176.271 174.600 0.023 0.000 1.018 97 S CA 2.201 60.411 58.200 0.017 0.000 0.988 97 S CB -0.285 62.923 63.200 0.015 0.000 0.778 97 S HN 0.638 nan 8.310 nan 0.000 0.498 98 S N -0.121 115.594 115.700 0.025 0.000 2.548 98 S HA 0.136 4.606 4.470 0.000 0.000 0.215 98 S C 1.222 175.896 174.600 0.123 0.000 0.976 98 S CA 0.349 58.574 58.200 0.041 0.000 0.908 98 S CB -0.193 63.015 63.200 0.013 0.000 0.781 98 S HN 1.018 nan 8.310 nan 0.000 0.519 99 H N 0.333 119.429 119.070 0.043 0.000 2.986 99 H HA 0.322 4.878 4.556 0.000 0.000 0.267 99 H C 0.677 176.045 175.328 0.068 0.000 1.072 99 H CA -0.446 55.660 56.048 0.096 0.000 1.202 99 H CB 0.138 29.971 29.762 0.119 0.000 1.535 99 H HN 0.297 nan 8.280 nan 0.000 0.522 100 N N 1.318 120.100 118.700 0.137 0.000 2.374 100 N HA 0.126 4.866 4.740 0.000 0.000 0.284 100 N C 0.763 175.855 175.510 -0.697 0.000 1.280 100 N CA 0.138 53.028 53.050 -0.266 0.000 0.963 100 N CB 0.598 39.044 38.487 -0.068 0.000 1.141 100 N HN 0.230 nan 8.380 nan 0.000 0.565 101 A N -1.905 120.385 122.820 -0.882 0.000 2.387 101 A HA 0.290 4.611 4.320 0.000 0.000 0.234 101 A C 0.555 177.916 177.584 -0.371 0.000 1.253 101 A CA -0.204 51.268 52.037 -0.940 0.000 0.894 101 A CB -1.085 17.360 19.000 -0.924 0.000 0.963 101 A HN 0.791 nan 8.150 nan 0.000 0.508 102 C N -0.831 118.310 119.300 -0.265 0.000 4.331 102 C HA -0.168 4.292 4.460 0.000 0.000 0.293 102 C C 0.586 175.483 174.990 -0.154 0.000 1.436 102 C CA 0.134 59.065 59.018 -0.145 0.000 1.993 102 C CB -3.063 24.628 27.740 -0.082 0.000 1.266 102 C HN 0.596 nan 8.230 nan 0.000 0.795 103 I N 1.094 121.524 120.570 -0.233 0.000 2.533 103 I HA 0.370 4.540 4.170 0.000 0.000 0.284 103 I C 0.710 176.674 176.117 -0.256 0.000 1.109 103 I CA 0.950 62.025 61.300 -0.375 0.000 1.412 103 I CB 0.602 38.228 38.000 -0.624 0.000 1.396 103 I HN 0.460 nan 8.210 nan 0.000 0.543 104 A N 7.802 130.434 122.820 -0.313 0.000 2.363 104 A HA 0.733 5.053 4.320 0.000 0.000 0.296 104 A C -0.988 176.443 177.584 -0.255 0.000 1.237 104 A CA -0.299 51.638 52.037 -0.166 0.000 0.773 104 A CB 0.184 19.137 19.000 -0.078 0.000 1.153 104 A HN 0.538 nan 8.150 nan 0.000 0.473 105 F N 0.804 120.766 119.950 0.019 0.000 2.532 105 F HA 0.570 5.097 4.527 0.000 0.000 0.321 105 F C -0.425 175.387 175.800 0.019 0.000 1.089 105 F CA -0.484 57.550 58.000 0.056 0.000 0.926 105 F CB 1.641 40.651 39.000 0.016 0.000 1.168 105 F HN 0.597 nan 8.300 nan 0.000 0.459 106 W N 2.549 123.760 121.300 -0.149 0.000 2.253 106 W HA 0.536 5.196 4.660 0.000 0.000 0.322 106 W C 0.095 176.483 176.519 -0.217 0.000 1.342 106 W CA -0.801 56.153 57.345 -0.653 0.000 1.218 106 W CB 0.226 29.206 29.460 -0.799 0.000 1.205 106 W HN 0.531 nan 8.180 nan 0.000 0.551 107 A N 6.556 129.428 122.820 0.087 0.000 2.477 107 A HA 0.367 4.687 4.320 0.000 0.000 0.246 107 A C -2.080 175.666 177.584 0.269 0.000 1.078 107 A CA -1.187 50.969 52.037 0.199 0.000 0.770 107 A CB -0.502 18.639 19.000 0.234 0.000 1.011 107 A HN 0.403 nan 8.150 nan 0.000 0.494 108 P HA -0.066 nan 4.420 nan 0.000 0.264 108 P C 0.919 178.367 177.300 0.247 0.000 1.179 108 P CA 0.183 63.396 63.100 0.189 0.000 0.763 108 P CB 0.464 32.205 31.700 0.068 0.000 0.806 109 R N 2.866 123.526 120.500 0.267 0.000 2.105 109 R HA -0.199 4.141 4.340 0.000 0.000 0.239 109 R C 0.955 177.243 176.300 -0.019 0.000 1.135 109 R CA 1.690 57.805 56.100 0.025 0.000 0.967 109 R CB -0.744 29.424 30.300 -0.220 0.000 0.861 109 R HN 0.320 nan 8.270 nan 0.000 0.442 110 E N 1.125 121.332 120.200 0.012 0.000 2.204 110 E HA -0.121 4.229 4.350 0.000 0.000 0.194 110 E C 1.396 178.018 176.600 0.036 0.000 0.989 110 E CA 1.266 57.669 56.400 0.004 0.000 0.824 110 E CB -0.107 29.592 29.700 -0.000 0.000 0.756 110 E HN 0.404 nan 8.360 nan 0.000 0.477 111 D N 0.168 120.601 120.400 0.055 0.000 2.097 111 D HA -0.080 4.560 4.640 0.000 0.000 0.197 111 D C 1.910 178.121 176.300 -0.149 0.000 0.984 111 D CA 0.801 54.846 54.000 0.076 0.000 0.826 111 D CB -0.030 40.837 40.800 0.112 0.000 0.973 111 D HN 0.180 nan 8.370 nan 0.000 0.460 112 L N 0.875 121.960 121.223 -0.231 0.000 2.072 112 L HA -0.125 4.215 4.340 0.000 0.000 0.205 112 L C 1.818 178.567 176.870 -0.202 0.000 1.079 112 L CA 0.935 55.504 54.840 -0.452 0.000 0.752 112 L CB -0.355 41.574 42.059 -0.216 0.000 0.906 112 L HN -0.088 nan 8.230 nan 0.000 0.436 113 D N 0.301 120.657 120.400 -0.074 0.000 2.218 113 D HA -0.167 4.473 4.640 0.000 0.000 0.204 113 D C 1.962 178.316 176.300 0.090 0.000 0.976 113 D CA 0.974 54.974 54.000 0.000 0.000 0.853 113 D CB -0.009 40.769 40.800 -0.037 0.000 0.939 113 D HN 0.442 nan 8.370 nan 0.000 0.481 114 E N -0.494 119.792 120.200 0.144 0.000 2.274 114 E HA -0.118 4.232 4.350 0.000 0.000 0.194 114 E C 1.743 178.644 176.600 0.501 0.000 0.996 114 E CA 0.149 56.699 56.400 0.251 0.000 0.840 114 E CB -0.033 29.857 29.700 0.317 0.000 0.772 114 E HN 0.351 nan 8.360 nan 0.000 0.491 115 W N 1.782 123.239 121.300 0.261 0.000 2.335 115 W HA -0.156 4.504 4.660 0.000 0.000 0.311 115 W C 2.236 178.879 176.519 0.206 0.000 1.213 115 W CA 0.960 58.465 57.345 0.267 0.000 1.274 115 W CB -0.862 28.699 29.460 0.170 0.000 1.148 115 W HN 0.191 nan 8.180 nan 0.000 0.498 116 E N -0.223 120.217 120.200 0.401 0.000 2.028 116 E HA -0.100 4.250 4.350 0.000 0.000 0.190 116 E C 2.256 178.942 176.600 0.144 0.000 0.984 116 E CA 1.559 58.110 56.400 0.253 0.000 0.800 116 E CB -0.297 29.524 29.700 0.201 0.000 0.758 116 E HN 0.018 nan 8.360 nan 0.000 0.448 117 A N 0.364 123.247 122.820 0.105 0.000 1.968 117 A HA -0.060 4.260 4.320 0.000 0.000 0.217 117 A C 1.941 179.482 177.584 -0.072 0.000 1.169 117 A CA 1.337 53.384 52.037 0.016 0.000 0.638 117 A CB -0.054 18.950 19.000 0.006 0.000 0.812 117 A HN 0.116 nan 8.150 nan 0.000 0.446 118 K N -2.624 117.675 120.400 -0.168 0.000 2.399 118 K HA 0.213 4.534 4.320 0.000 0.000 0.196 118 K C -0.082 176.171 176.600 -0.579 0.000 1.117 118 K CA 0.345 56.328 56.287 -0.507 0.000 0.965 118 K CB 0.428 32.370 32.500 -0.931 0.000 0.983 118 K HN 0.555 nan 8.250 nan 0.000 0.531 119 Y N -0.788 119.539 120.300 0.045 0.000 2.706 119 Y HA 0.276 4.826 4.550 0.000 0.000 0.255 119 Y C 0.947 176.828 175.900 -0.032 0.000 1.163 119 Y CA -0.227 57.862 58.100 -0.020 0.000 1.174 119 Y CB 1.540 39.958 38.460 -0.070 0.000 1.200 119 Y HN 0.133 nan 8.280 nan 0.000 0.544 120 G N 0.710 109.569 108.800 0.098 0.000 2.179 120 G HA2 -0.285 3.676 3.960 0.000 0.000 0.260 120 G HA3 -0.285 3.676 3.960 0.000 0.000 0.260 120 G C 0.395 175.349 174.900 0.090 0.000 0.977 120 G CA 0.015 45.154 45.100 0.065 0.000 0.641 120 G HN 0.596 nan 8.290 nan 0.000 0.533 121 A N 1.502 124.406 122.820 0.140 0.000 3.004 121 A HA 0.621 4.941 4.320 0.000 0.000 0.286 121 A C 0.966 178.739 177.584 0.315 0.000 1.632 121 A CA 0.862 53.016 52.037 0.195 0.000 1.339 121 A CB -0.352 18.732 19.000 0.139 0.000 1.136 121 A HN 0.853 nan 8.150 nan 0.000 0.577 122 T N 0.955 115.644 114.554 0.225 0.000 2.849 122 T HA 0.335 4.685 4.350 0.000 0.000 0.289 122 T C 1.565 176.402 174.700 0.228 0.000 1.010 122 T CA 1.515 63.725 62.100 0.183 0.000 1.161 122 T CB 0.345 69.283 68.868 0.117 0.000 0.989 122 T HN 1.782 nan 8.240 nan 0.000 0.523 123 G N 2.400 111.281 108.800 0.134 0.000 2.195 123 G HA2 -0.210 3.750 3.960 0.000 0.000 0.246 123 G HA3 -0.210 3.750 3.960 0.000 0.000 0.246 123 G C -0.199 174.649 174.900 -0.087 0.000 0.984 123 G CA -0.562 44.529 45.100 -0.014 0.000 0.633 123 G HN 0.703 nan 8.290 nan 0.000 0.525 124 W N 2.169 123.532 121.300 0.104 0.000 2.278 124 W HA 0.652 5.312 4.660 0.000 0.000 0.317 124 W C 0.318 176.897 176.519 0.099 0.000 1.030 124 W CA -0.115 57.320 57.345 0.150 0.000 1.334 124 W CB 0.831 30.486 29.460 0.325 0.000 1.215 124 W HN 0.605 nan 8.180 nan 0.000 0.405 125 N N 0.207 119.003 118.700 0.159 0.000 3.185 125 N HA 0.493 5.233 4.740 0.000 0.000 0.238 125 N C 0.265 175.760 175.510 -0.025 0.000 1.451 125 N CA -0.359 52.717 53.050 0.043 0.000 0.888 125 N CB 0.348 38.845 38.487 0.017 0.000 1.413 125 N HN 0.153 nan 8.380 nan 0.000 0.511 126 A N 0.208 122.962 122.820 -0.110 0.000 1.892 126 A HA -0.226 4.095 4.320 0.000 0.000 0.218 126 A C 1.587 179.083 177.584 -0.148 0.000 1.188 126 A CA 1.998 53.912 52.037 -0.206 0.000 0.631 126 A CB -1.122 17.474 19.000 -0.672 0.000 0.822 126 A HN 0.793 nan 8.150 nan 0.000 0.447 127 E N -0.385 119.714 120.200 -0.168 0.000 2.086 127 E HA -0.237 4.113 4.350 0.000 0.000 0.200 127 E C 2.389 178.978 176.600 -0.018 0.000 1.012 127 E CA 1.155 57.501 56.400 -0.089 0.000 0.812 127 E CB -0.400 29.248 29.700 -0.086 0.000 0.743 127 E HN 0.644 nan 8.360 nan 0.000 0.453 128 A N 1.645 124.429 122.820 -0.059 0.000 1.859 128 A HA -0.233 4.087 4.320 0.000 0.000 0.217 128 A C 2.446 179.990 177.584 -0.068 0.000 1.198 128 A CA 2.338 54.310 52.037 -0.109 0.000 0.629 128 A CB -0.926 17.936 19.000 -0.230 0.000 0.830 128 A HN 0.332 nan 8.150 nan 0.000 0.446 129 A N -2.069 120.748 122.820 -0.006 0.000 1.930 129 A HA -0.153 4.167 4.320 0.000 0.000 0.217 129 A C 2.171 179.751 177.584 -0.007 0.000 1.175 129 A CA 1.165 53.155 52.037 -0.078 0.000 0.627 129 A CB -0.851 18.141 19.000 -0.014 0.000 0.815 129 A HN 0.797 nan 8.150 nan 0.000 0.443 130 W N 0.741 122.029 121.300 -0.021 0.000 2.355 130 W HA -0.122 4.538 4.660 0.000 0.000 0.309 130 W C -0.563 176.015 176.519 0.098 0.000 1.206 130 W CA 1.675 59.124 57.345 0.173 0.000 1.284 130 W CB -0.955 28.664 29.460 0.264 0.000 1.145 130 W HN 0.316 nan 8.180 nan 0.000 0.502 131 P HA -0.197 nan 4.420 nan 0.000 0.216 131 P C 1.613 178.929 177.300 0.026 0.000 1.150 131 P CA 1.702 64.884 63.100 0.135 0.000 0.837 131 P CB -0.399 31.353 31.700 0.087 0.000 0.786 132 L N -2.385 118.798 121.223 -0.067 0.000 2.072 132 L HA -0.128 4.212 4.340 0.000 0.000 0.205 132 L C 2.933 179.688 176.870 -0.192 0.000 1.079 132 L CA 1.375 56.128 54.840 -0.145 0.000 0.752 132 L CB -1.261 40.668 42.059 -0.218 0.000 0.906 132 L HN -0.104 nan 8.230 nan 0.000 0.436 133 Y N 0.591 120.670 120.300 -0.369 0.000 2.128 133 Y HA -0.340 4.210 4.550 0.000 0.000 0.284 133 Y C 2.866 178.519 175.900 -0.412 0.000 1.154 133 Y CA 1.480 59.145 58.100 -0.725 0.000 1.149 133 Y CB -0.134 37.190 38.460 -1.894 0.000 0.976 133 Y HN 0.098 nan 8.280 nan 0.000 0.505 134 K N 0.649 121.036 120.400 -0.020 0.000 2.032 134 K HA -0.281 4.039 4.320 0.000 0.000 0.209 134 K C 2.298 178.949 176.600 0.085 0.000 1.048 134 K CA 1.770 58.153 56.287 0.160 0.000 0.927 134 K CB -0.183 32.434 32.500 0.195 0.000 0.712 134 K HN 0.155 nan 8.250 nan 0.000 0.441 135 R N 0.692 121.214 120.500 0.036 0.000 2.073 135 R HA -0.142 4.198 4.340 0.000 0.000 0.234 135 R C 2.445 178.757 176.300 0.020 0.000 1.134 135 R CA 1.720 57.835 56.100 0.025 0.000 0.952 135 R CB -0.376 29.930 30.300 0.010 0.000 0.850 135 R HN 0.326 nan 8.270 nan 0.000 0.433 136 L N 0.387 121.621 121.223 0.018 0.000 2.275 136 L HA 0.012 4.352 4.340 0.000 0.000 0.215 136 L C 0.250 177.117 176.870 -0.005 0.000 1.119 136 L CA 1.055 55.908 54.840 0.022 0.000 0.790 136 L CB -0.547 41.558 42.059 0.075 0.000 0.919 136 L HN 0.166 nan 8.230 nan 0.000 0.443 137 E N -0.615 119.610 120.200 0.041 0.000 2.202 137 E HA 0.429 4.779 4.350 0.000 0.000 0.272 137 E C -0.890 175.748 176.600 0.063 0.000 0.951 137 E CA -0.778 55.663 56.400 0.069 0.000 0.813 137 E CB 1.079 30.865 29.700 0.145 0.000 1.151 137 E HN 0.031 nan 8.360 nan 0.000 0.398 138 T N 3.017 117.614 114.554 0.071 0.000 2.929 138 T HA 0.197 4.547 4.350 0.000 0.000 0.331 138 T C -0.562 174.113 174.700 -0.042 0.000 1.120 138 T CA -0.681 61.423 62.100 0.006 0.000 0.973 138 T CB -0.094 68.746 68.868 -0.046 0.000 1.036 138 T HN 0.379 nan 8.240 nan 0.000 0.502 139 N N 2.340 120.993 118.700 -0.079 0.000 2.426 139 N HA 0.084 4.824 4.740 0.000 0.000 0.275 139 N C 1.130 176.503 175.510 -0.229 0.000 1.019 139 N CA -0.240 52.696 53.050 -0.191 0.000 0.941 139 N CB 1.455 39.696 38.487 -0.411 0.000 1.123 139 N HN 0.649 nan 8.380 nan 0.000 0.486 140 E N 2.079 122.160 120.200 -0.198 0.000 2.219 140 E HA -0.201 4.149 4.350 0.000 0.000 0.198 140 E C -0.174 176.315 176.600 -0.184 0.000 0.998 140 E CA 1.311 57.611 56.400 -0.167 0.000 0.818 140 E CB 0.323 29.948 29.700 -0.125 0.000 0.741 140 E HN 0.524 nan 8.360 nan 0.000 0.477 141 D N 0.048 120.275 120.400 -0.288 0.000 2.340 141 D HA 0.095 4.735 4.640 0.000 0.000 0.220 141 D C 0.146 176.349 176.300 -0.162 0.000 1.039 141 D CA 0.368 54.233 54.000 -0.225 0.000 0.866 141 D CB 0.112 40.780 40.800 -0.220 0.000 0.913 141 D HN 0.195 nan 8.370 nan 0.000 0.523 142 A N 0.327 123.028 122.820 -0.199 0.000 2.448 142 A HA 0.525 4.845 4.320 0.000 0.000 0.239 142 A C 0.982 178.543 177.584 -0.038 0.000 1.080 142 A CA 0.793 52.786 52.037 -0.073 0.000 0.779 142 A CB 0.264 19.228 19.000 -0.060 0.000 1.026 142 A HN 0.278 nan 8.150 nan 0.000 0.499 143 G N -0.043 108.753 108.800 -0.008 0.000 2.347 143 G HA2 0.320 4.280 3.960 0.000 0.000 0.321 143 G HA3 0.320 4.280 3.960 0.000 0.000 0.321 143 G C -2.486 172.424 174.900 0.016 0.000 1.412 143 G CA -0.081 45.018 45.100 -0.002 0.000 0.990 143 G HN 0.382 nan 8.290 nan 0.000 0.637 144 P HA 0.003 nan 4.420 nan 0.000 0.218 144 P C 1.236 178.555 177.300 0.032 0.000 1.148 144 P CA 1.762 64.876 63.100 0.024 0.000 0.822 144 P CB 0.058 31.768 31.700 0.016 0.000 0.784 145 D N -0.900 119.518 120.400 0.029 0.000 2.336 145 D HA 0.089 4.729 4.640 0.000 0.000 0.229 145 D C 0.486 176.823 176.300 0.062 0.000 1.061 145 D CA 0.033 54.055 54.000 0.036 0.000 0.875 145 D CB -0.445 40.368 40.800 0.022 0.000 0.904 145 D HN 0.098 nan 8.370 nan 0.000 0.525 146 A N 1.009 123.878 122.820 0.082 0.000 3.448 146 A HA 0.339 4.659 4.320 0.000 0.000 0.232 146 A C -2.022 175.629 177.584 0.112 0.000 1.018 146 A CA -0.743 51.383 52.037 0.149 0.000 0.996 146 A CB 0.745 19.848 19.000 0.173 0.000 1.283 146 A HN -0.032 nan 8.150 nan 0.000 0.586 147 P HA -0.187 nan 4.420 nan 0.000 0.231 147 P C 1.077 178.443 177.300 0.110 0.000 1.158 147 P CA 1.187 64.343 63.100 0.094 0.000 0.763 147 P CB -0.373 31.384 31.700 0.096 0.000 0.805 148 H N -2.528 116.538 119.070 -0.007 0.000 2.521 148 H HA -0.018 4.538 4.556 0.000 0.000 0.286 148 H C 0.495 175.858 175.328 0.058 0.000 1.034 148 H CA 0.651 56.701 56.048 0.005 0.000 1.278 148 H CB -1.154 28.515 29.762 -0.155 0.000 1.386 148 H HN 0.174 nan 8.280 nan 0.000 0.567 149 H N 0.697 119.445 119.070 -0.537 0.000 2.505 149 H HA 0.446 5.002 4.556 0.000 0.000 0.355 149 H C 0.390 175.684 175.328 -0.056 0.000 1.179 149 H CA 0.220 56.054 56.048 -0.356 0.000 1.343 149 H CB 1.388 30.848 29.762 -0.504 0.000 1.501 149 H HN 0.447 nan 8.280 nan 0.000 0.569 150 G N 0.001 108.925 108.800 0.207 0.000 2.389 150 G HA2 0.246 4.206 3.960 0.000 0.000 0.317 150 G HA3 0.246 4.206 3.960 0.000 0.000 0.317 150 G C -0.079 174.844 174.900 0.038 0.000 1.137 150 G CA -0.597 44.571 45.100 0.113 0.000 0.870 150 G HN 0.695 nan 8.290 nan 0.000 0.496 151 D N -1.652 118.757 120.400 0.016 0.000 2.503 151 D HA 0.058 4.698 4.640 0.000 0.000 0.218 151 D C 1.157 177.444 176.300 -0.023 0.000 1.183 151 D CA 0.399 54.387 54.000 -0.020 0.000 0.827 151 D CB 0.447 41.234 40.800 -0.021 0.000 1.034 151 D HN 0.384 nan 8.370 nan 0.000 0.510 152 S N -1.577 114.123 115.700 -0.001 0.000 3.041 152 S HA 0.395 4.865 4.470 0.000 0.000 0.244 152 S C 0.759 175.365 174.600 0.009 0.000 0.837 152 S CA -0.396 57.805 58.200 0.001 0.000 1.206 152 S CB -0.137 63.063 63.200 -0.001 0.000 1.218 152 S HN 0.260 nan 8.310 nan 0.000 0.591 153 G N 2.479 111.288 108.800 0.016 0.000 2.537 153 G HA2 0.534 4.494 3.960 0.000 0.000 0.273 153 G HA3 0.534 4.494 3.960 0.000 0.000 0.273 153 G C -1.344 173.531 174.900 -0.042 0.000 1.189 153 G CA -1.597 43.494 45.100 -0.015 0.000 0.881 153 G HN 0.159 nan 8.290 nan 0.000 0.535 154 P HA -0.044 nan 4.420 nan 0.000 0.221 154 P C 0.531 177.605 177.300 -0.376 0.000 1.150 154 P CA 0.499 63.401 63.100 -0.330 0.000 0.800 154 P CB 0.106 31.433 31.700 -0.622 0.000 0.787 155 V N 2.534 122.285 119.914 -0.272 0.000 2.385 155 V HA 0.130 4.250 4.120 0.000 0.000 0.269 155 V C 0.276 176.386 176.094 0.027 0.000 1.043 155 V CA -0.572 61.619 62.300 -0.183 0.000 0.906 155 V CB -0.398 31.360 31.823 -0.107 0.000 0.995 155 V HN 0.105 nan 8.190 nan 0.000 0.467 156 H N 5.386 124.406 119.070 -0.085 0.000 2.668 156 H HA 0.510 5.067 4.556 0.000 0.000 0.303 156 H C -0.168 175.131 175.328 -0.048 0.000 1.074 156 H CA -0.571 55.439 56.048 -0.064 0.000 1.406 156 H CB 0.797 30.522 29.762 -0.061 0.000 1.442 156 H HN 0.479 nan 8.280 nan 0.000 0.482 157 L N 4.891 126.155 121.223 0.068 0.000 2.325 157 L HA 0.557 4.897 4.340 0.000 0.000 0.278 157 L C 0.332 177.188 176.870 -0.024 0.000 1.023 157 L CA -0.786 54.065 54.840 0.018 0.000 0.811 157 L CB 1.326 43.392 42.059 0.013 0.000 1.249 157 L HN 0.560 nan 8.230 nan 0.000 0.431 158 M N 0.701 120.291 119.600 -0.015 0.000 2.550 158 M HA 0.543 5.023 4.480 0.000 0.000 0.292 158 M C -1.262 175.034 176.300 -0.006 0.000 1.221 158 M CA -0.819 54.463 55.300 -0.030 0.000 0.873 158 M CB 2.100 34.687 32.600 -0.021 0.000 1.727 158 M HN 0.248 nan 8.290 nan 0.000 0.459 159 N N 1.577 120.266 118.700 -0.017 0.000 2.475 159 N HA 0.236 4.976 4.740 0.000 0.000 0.267 159 N C -0.761 174.756 175.510 0.012 0.000 1.169 159 N CA -0.252 52.805 53.050 0.012 0.000 0.947 159 N CB 1.431 39.906 38.487 -0.020 0.000 1.061 159 N HN 0.568 nan 8.380 nan 0.000 0.466 160 V N 5.361 125.322 119.914 0.078 0.000 2.458 160 V HA 0.026 4.146 4.120 0.000 0.000 0.287 160 V C -1.758 174.258 176.094 -0.131 0.000 1.009 160 V CA -0.865 61.467 62.300 0.053 0.000 1.091 160 V CB -0.065 31.892 31.823 0.225 0.000 0.960 160 V HN 0.535 nan 8.190 nan 0.000 0.476 161 P HA 0.141 nan 4.420 nan 0.000 0.268 161 P C -2.272 174.665 177.300 -0.605 0.000 1.204 161 P CA -1.241 61.680 63.100 -0.298 0.000 0.768 161 P CB 0.033 31.620 31.700 -0.188 0.000 0.842 162 P HA 0.023 nan 4.420 nan 0.000 0.232 162 P C 0.427 177.413 177.300 -0.523 0.000 1.738 162 P CA 0.178 62.556 63.100 -1.203 0.000 0.948 162 P CB -0.240 31.022 31.700 -0.729 0.000 1.943 163 K N -0.582 119.608 120.400 -0.351 0.000 2.262 163 K HA -0.002 4.318 4.320 0.000 0.000 0.200 163 K C 0.475 177.046 176.600 -0.049 0.000 1.049 163 K CA 0.011 56.211 56.287 -0.146 0.000 0.979 163 K CB -0.079 32.355 32.500 -0.110 0.000 0.773 163 K HN -0.051 nan 8.250 nan 0.000 0.474 164 D N 3.060 123.470 120.400 0.016 0.000 2.346 164 D HA 0.055 4.695 4.640 0.000 0.000 0.260 164 D C -1.502 174.798 176.300 -0.001 0.000 1.252 164 D CA -2.435 51.595 54.000 0.050 0.000 0.895 164 D CB 1.554 42.439 40.800 0.141 0.000 1.097 164 D HN 0.033 nan 8.370 nan 0.000 0.489 165 P HA -0.104 nan 4.420 nan 0.000 0.221 165 P C 1.021 178.118 177.300 -0.338 0.000 1.150 165 P CA 0.879 63.953 63.100 -0.044 0.000 0.800 165 P CB 0.175 31.982 31.700 0.178 0.000 0.787 166 T N -0.783 113.263 114.554 -0.846 0.000 2.821 166 T HA -0.035 4.315 4.350 0.000 0.000 0.267 166 T C 2.181 176.323 174.700 -0.930 0.000 1.046 166 T CA 1.620 62.846 62.100 -1.458 0.000 1.139 166 T CB -1.155 66.795 68.868 -1.529 0.000 0.871 166 T HN 0.166 nan 8.240 nan 0.000 0.454 167 G N 1.515 109.958 108.800 -0.595 0.000 2.404 167 G HA2 -0.164 3.796 3.960 0.000 0.000 0.215 167 G HA3 -0.164 3.796 3.960 0.000 0.000 0.215 167 G C 1.699 176.347 174.900 -0.421 0.000 1.174 167 G CA 0.843 45.579 45.100 -0.607 0.000 0.780 167 G HN 0.420 nan 8.290 nan 0.000 0.537 168 V N 1.722 121.589 119.914 -0.079 0.000 2.317 168 V HA -0.230 3.890 4.120 0.000 0.000 0.251 168 V C 3.298 179.312 176.094 -0.133 0.000 1.065 168 V CA 2.237 64.530 62.300 -0.013 0.000 1.049 168 V CB -0.970 30.887 31.823 0.056 0.000 0.651 168 V HN 0.493 nan 8.190 nan 0.000 0.450 169 A N -0.579 122.111 122.820 -0.217 0.000 1.929 169 A HA -0.110 4.210 4.320 0.000 0.000 0.216 169 A C 2.136 179.570 177.584 -0.251 0.000 1.176 169 A CA 1.704 53.639 52.037 -0.171 0.000 0.628 169 A CB -0.480 18.468 19.000 -0.087 0.000 0.816 169 A HN 0.449 nan 8.150 nan 0.000 0.444 170 L N -0.716 120.243 121.223 -0.441 0.000 2.083 170 L HA -0.110 4.230 4.340 0.000 0.000 0.209 170 L C 2.110 178.792 176.870 -0.313 0.000 1.083 170 L CA 1.317 55.892 54.840 -0.442 0.000 0.752 170 L CB -0.380 41.248 42.059 -0.717 0.000 0.899 170 L HN 0.241 nan 8.230 nan 0.000 0.433 171 L N -0.456 120.579 121.223 -0.314 0.000 2.017 171 L HA -0.223 4.117 4.340 0.000 0.000 0.208 171 L C 2.287 179.077 176.870 -0.134 0.000 1.073 171 L CA 1.672 56.381 54.840 -0.219 0.000 0.745 171 L CB -1.537 40.400 42.059 -0.202 0.000 0.894 171 L HN 0.322 nan 8.230 nan 0.000 0.432 172 D N -0.455 119.879 120.400 -0.110 0.000 2.149 172 D HA -0.150 4.490 4.640 0.000 0.000 0.198 172 D C 2.196 178.457 176.300 -0.065 0.000 0.990 172 D CA 1.393 55.352 54.000 -0.068 0.000 0.839 172 D CB -0.022 40.751 40.800 -0.045 0.000 0.948 172 D HN 0.318 nan 8.370 nan 0.000 0.460 173 A N 0.511 123.279 122.820 -0.087 0.000 1.902 173 A HA -0.201 4.119 4.320 0.000 0.000 0.217 173 A C 2.556 180.103 177.584 -0.062 0.000 1.181 173 A CA 1.300 53.294 52.037 -0.073 0.000 0.623 173 A CB -1.019 17.923 19.000 -0.097 0.000 0.818 173 A HN 0.345 nan 8.150 nan 0.000 0.443 174 C N -0.605 118.646 119.300 -0.081 0.000 2.413 174 C HA -0.132 4.328 4.460 0.000 0.000 0.276 174 C C 2.686 177.653 174.990 -0.037 0.000 1.248 174 C CA 1.361 60.343 59.018 -0.059 0.000 1.742 174 C CB -1.336 26.356 27.740 -0.079 0.000 2.017 174 C HN 0.698 nan 8.230 nan 0.000 0.481 175 E N 0.138 120.314 120.200 -0.041 0.000 2.047 175 E HA -0.232 4.118 4.350 0.000 0.000 0.191 175 E C 2.227 178.816 176.600 -0.018 0.000 0.987 175 E CA 1.135 57.519 56.400 -0.026 0.000 0.799 175 E CB -0.256 29.427 29.700 -0.028 0.000 0.752 175 E HN 0.692 nan 8.360 nan 0.000 0.449 176 Q N 0.266 120.053 119.800 -0.021 0.000 2.181 176 Q HA -0.118 4.222 4.340 0.000 0.000 0.205 176 Q C 1.994 177.988 176.000 -0.009 0.000 0.980 176 Q CA 1.307 57.102 55.803 -0.014 0.000 0.862 176 Q CB -0.133 28.596 28.738 -0.016 0.000 0.905 176 Q HN 0.217 nan 8.270 nan 0.000 0.429 177 A N -0.011 122.802 122.820 -0.011 0.000 2.235 177 A HA 0.261 4.581 4.320 0.000 0.000 0.208 177 A C 1.544 179.131 177.584 0.005 0.000 1.172 177 A CA 0.842 52.878 52.037 -0.002 0.000 0.786 177 A CB -0.325 18.674 19.000 -0.001 0.000 0.804 177 A HN 0.485 nan 8.150 nan 0.000 0.479 178 G N -1.345 107.457 108.800 0.002 0.000 2.159 178 G HA2 -0.195 3.765 3.960 0.000 0.000 0.227 178 G HA3 -0.195 3.765 3.960 0.000 0.000 0.227 178 G C 0.035 174.942 174.900 0.012 0.000 0.986 178 G CA 0.134 45.239 45.100 0.008 0.000 0.651 178 G HN 0.471 nan 8.290 nan 0.000 0.523 179 I N 2.356 122.931 120.570 0.008 0.000 2.328 179 I HA 0.349 4.519 4.170 0.000 0.000 0.287 179 I C -2.190 173.929 176.117 0.003 0.000 1.012 179 I CA -2.396 58.913 61.300 0.016 0.000 1.195 179 I CB 1.858 39.870 38.000 0.019 0.000 1.350 179 I HN -0.136 nan 8.210 nan 0.000 0.464 180 P HA 0.263 nan 4.420 nan 0.000 0.277 180 P C -0.640 176.650 177.300 -0.017 0.000 1.240 180 P CA -0.726 62.371 63.100 -0.005 0.000 0.798 180 P CB 0.599 32.300 31.700 0.002 0.000 0.979 181 R N 1.077 121.553 120.500 -0.041 0.000 2.522 181 R HA 0.440 4.780 4.340 0.000 0.000 0.284 181 R C -0.092 176.162 176.300 -0.076 0.000 1.032 181 R CA 0.386 56.443 56.100 -0.072 0.000 1.049 181 R CB -0.056 30.204 30.300 -0.067 0.000 0.956 181 R HN 0.527 nan 8.270 nan 0.000 0.422 182 A N 3.417 126.155 122.820 -0.137 0.000 2.414 182 A HA 0.352 4.672 4.320 0.000 0.000 0.306 182 A C -0.945 176.458 177.584 -0.301 0.000 1.054 182 A CA -0.811 51.147 52.037 -0.132 0.000 0.724 182 A CB 1.417 20.409 19.000 -0.014 0.000 1.267 182 A HN 0.641 nan 8.150 nan 0.000 0.418 183 K N 1.615 121.910 120.400 -0.175 0.000 2.249 183 K HA 0.520 4.840 4.320 0.000 0.000 0.280 183 K C -1.268 175.302 176.600 -0.049 0.000 1.033 183 K CA -0.044 56.142 56.287 -0.169 0.000 0.946 183 K CB 0.413 32.877 32.500 -0.059 0.000 1.005 183 K HN 0.591 nan 8.250 nan 0.000 0.469 184 F N 2.531 122.554 119.950 0.120 0.000 2.399 184 F HA 0.172 4.699 4.527 0.000 0.000 0.328 184 F C 0.928 176.771 175.800 0.071 0.000 1.084 184 F CA -0.879 57.225 58.000 0.173 0.000 1.053 184 F CB 1.061 40.195 39.000 0.224 0.000 1.209 184 F HN 0.701 nan 8.300 nan 0.000 0.502 185 N N 0.224 119.074 118.700 0.251 0.000 2.735 185 N HA -0.183 4.558 4.740 0.000 0.000 0.248 185 N C 0.891 176.249 175.510 -0.253 0.000 1.083 185 N CA 1.140 54.124 53.050 -0.109 0.000 0.703 185 N CB -1.608 36.793 38.487 -0.143 0.000 1.005 185 N HN 0.846 nan 8.380 nan 0.000 0.550 186 T N -4.651 109.813 114.554 -0.150 0.000 3.081 186 T HA 0.354 4.704 4.350 0.000 0.000 0.255 186 T C 1.553 175.882 174.700 -0.617 0.000 1.113 186 T CA 1.382 63.342 62.100 -0.233 0.000 1.082 186 T CB 0.630 69.442 68.868 -0.093 0.000 0.939 186 T HN 0.739 nan 8.240 nan 0.000 0.506 187 G N 0.087 108.596 108.800 -0.485 0.000 2.253 187 G HA2 -0.133 3.828 3.960 0.000 0.000 0.209 187 G HA3 -0.133 3.828 3.960 0.000 0.000 0.209 187 G C 0.170 175.101 174.900 0.052 0.000 0.997 187 G CA -0.043 44.904 45.100 -0.255 0.000 0.640 187 G HN 0.722 nan 8.290 nan 0.000 0.496 188 T N 1.837 116.382 114.554 -0.015 0.000 2.848 188 T HA 0.589 4.939 4.350 0.000 0.000 0.285 188 T C -0.041 174.677 174.700 0.030 0.000 0.995 188 T CA 0.059 62.170 62.100 0.019 0.000 0.970 188 T CB 1.918 70.778 68.868 -0.013 0.000 0.976 188 T HN 0.187 nan 8.240 nan 0.000 0.441 189 T N 2.773 117.344 114.554 0.028 0.000 2.870 189 T HA 0.265 4.615 4.350 0.000 0.000 0.300 189 T C 0.384 175.067 174.700 -0.029 0.000 0.989 189 T CA -0.338 61.757 62.100 -0.008 0.000 1.139 189 T CB 0.384 69.239 68.868 -0.023 0.000 0.920 189 T HN 0.332 nan 8.240 nan 0.000 0.537 190 V N 5.401 125.276 119.914 -0.065 0.000 2.389 190 V HA 0.098 4.218 4.120 0.000 0.000 0.264 190 V C 1.101 177.126 176.094 -0.116 0.000 1.049 190 V CA -0.101 62.181 62.300 -0.029 0.000 0.932 190 V CB 0.908 32.813 31.823 0.136 0.000 1.011 190 V HN 0.839 nan 8.190 nan 0.000 0.475 191 V N 3.470 123.375 119.914 -0.016 0.000 2.949 191 V HA 0.152 4.273 4.120 0.000 0.000 0.245 191 V C 0.924 177.071 176.094 0.088 0.000 1.086 191 V CA 0.732 63.035 62.300 0.005 0.000 1.097 191 V CB -0.111 31.715 31.823 0.006 0.000 0.762 191 V HN 0.949 nan 8.190 nan 0.000 0.470 192 N N 0.201 118.963 118.700 0.104 0.000 2.607 192 N HA 0.496 5.236 4.740 0.000 0.000 0.271 192 N C -0.664 174.927 175.510 0.134 0.000 1.142 192 N CA 0.540 53.662 53.050 0.121 0.000 0.810 192 N CB 1.493 40.023 38.487 0.072 0.000 1.306 192 N HN 0.376 nan 8.380 nan 0.000 0.536 193 G N 0.952 109.874 108.800 0.203 0.000 2.355 193 G HA2 0.600 4.560 3.960 0.000 0.000 0.296 193 G HA3 0.600 4.560 3.960 0.000 0.000 0.296 193 G C -2.113 172.933 174.900 0.243 0.000 1.507 193 G CA -0.341 44.863 45.100 0.174 0.000 0.823 193 G HN 0.568 nan 8.290 nan 0.000 0.569 194 A N 0.587 123.470 122.820 0.105 0.000 2.475 194 A HA 0.947 5.268 4.320 0.000 0.000 0.301 194 A C -0.672 176.848 177.584 -0.106 0.000 1.059 194 A CA -0.717 51.361 52.037 0.069 0.000 0.710 194 A CB 2.326 21.304 19.000 -0.037 0.000 1.288 194 A HN 1.087 nan 8.150 nan 0.000 0.408 195 N N -0.718 117.920 118.700 -0.104 0.000 3.355 195 N HA 0.361 5.101 4.740 0.000 0.000 0.238 195 N C -1.547 173.842 175.510 -0.202 0.000 1.466 195 N CA -0.561 52.331 53.050 -0.264 0.000 0.882 195 N CB 0.553 38.714 38.487 -0.544 0.000 1.406 195 N HN 0.406 nan 8.380 nan 0.000 0.500 196 F N 1.344 121.223 119.950 -0.118 0.000 2.572 196 F HA 0.244 4.772 4.527 0.000 0.000 0.370 196 F C 1.106 176.978 175.800 0.120 0.000 1.103 196 F CA 0.309 58.273 58.000 -0.060 0.000 1.286 196 F CB 0.191 39.173 39.000 -0.029 0.000 1.105 196 F HN 0.226 nan 8.300 nan 0.000 0.583 197 F N 1.534 121.731 119.950 0.413 0.000 2.444 197 F HA 0.117 4.644 4.527 0.000 0.000 0.331 197 F C 0.796 176.704 175.800 0.182 0.000 1.167 197 F CA -0.719 57.463 58.000 0.303 0.000 1.262 197 F CB 0.443 39.529 39.000 0.142 0.000 1.196 197 F HN 0.325 nan 8.300 nan 0.000 0.583 198 Q N 3.234 123.220 119.800 0.310 0.000 2.296 198 Q HA 0.311 4.651 4.340 0.000 0.000 0.262 198 Q C -0.571 175.444 176.000 0.026 0.000 0.981 198 Q CA -0.179 55.682 55.803 0.098 0.000 0.905 198 Q CB 1.154 29.899 28.738 0.011 0.000 1.186 198 Q HN 0.465 nan 8.270 nan 0.000 0.399 199 I N 0.402 120.999 120.570 0.046 0.000 2.530 199 I HA 0.356 4.526 4.170 0.000 0.000 0.297 199 I C -0.101 176.015 176.117 -0.002 0.000 1.011 199 I CA -1.253 60.049 61.300 0.004 0.000 1.107 199 I CB 1.609 39.633 38.000 0.041 0.000 1.285 199 I HN 0.415 nan 8.210 nan 0.000 0.436 200 N N 6.588 125.277 118.700 -0.019 0.000 2.605 200 N HA 0.254 4.994 4.740 0.000 0.000 0.258 200 N C -0.783 174.727 175.510 -0.000 0.000 1.156 200 N CA -0.310 52.739 53.050 -0.002 0.000 1.008 200 N CB 0.780 39.261 38.487 -0.009 0.000 1.354 200 N HN 0.807 nan 8.380 nan 0.000 0.509 201 R N 1.378 121.891 120.500 0.022 0.000 2.668 201 R HA 0.348 4.688 4.340 0.000 0.000 0.272 201 R C -0.344 175.990 176.300 0.056 0.000 1.019 201 R CA -0.686 55.428 56.100 0.024 0.000 0.894 201 R CB 2.026 32.339 30.300 0.022 0.000 1.228 201 R HN 0.384 nan 8.270 nan 0.000 0.460 202 R N 0.774 121.308 120.500 0.055 0.000 2.652 202 R HA 0.250 4.590 4.340 0.000 0.000 0.272 202 R C 0.887 177.224 176.300 0.062 0.000 1.162 202 R CA 0.349 56.515 56.100 0.109 0.000 1.199 202 R CB 0.370 30.720 30.300 0.083 0.000 1.166 202 R HN 0.764 nan 8.270 nan 0.000 0.597 203 A N 0.845 123.699 122.820 0.056 0.000 2.119 203 A HA -0.119 4.201 4.320 0.000 0.000 0.217 203 A C 0.838 178.432 177.584 0.017 0.000 1.153 203 A CA 1.406 53.454 52.037 0.018 0.000 0.692 203 A CB -0.278 18.724 19.000 0.002 0.000 0.799 203 A HN 0.725 nan 8.150 nan 0.000 0.458 204 D N -2.237 118.179 120.400 0.027 0.000 2.525 204 D HA 0.319 4.960 4.640 0.000 0.000 0.229 204 D C 0.923 177.239 176.300 0.026 0.000 1.202 204 D CA 0.327 54.341 54.000 0.023 0.000 0.828 204 D CB -0.607 40.207 40.800 0.025 0.000 1.008 204 D HN 0.595 nan 8.370 nan 0.000 0.493 205 G N -0.030 108.786 108.800 0.026 0.000 2.148 205 G HA2 -0.257 3.703 3.960 0.000 0.000 0.254 205 G HA3 -0.257 3.703 3.960 0.000 0.000 0.254 205 G C 0.259 175.183 174.900 0.039 0.000 0.981 205 G CA 0.382 45.501 45.100 0.031 0.000 0.670 205 G HN 0.447 nan 8.290 nan 0.000 0.528 206 T N 1.732 116.305 114.554 0.032 0.000 2.743 206 T HA 0.492 4.843 4.350 0.000 0.000 0.293 206 T C 0.952 175.660 174.700 0.013 0.000 0.945 206 T CA -0.261 61.855 62.100 0.026 0.000 1.030 206 T CB 0.598 69.477 68.868 0.018 0.000 0.912 206 T HN 0.721 nan 8.240 nan 0.000 0.483 207 R N 2.126 122.637 120.500 0.019 0.000 2.583 207 R HA 0.101 4.442 4.340 0.000 0.000 0.274 207 R C 0.489 176.767 176.300 -0.037 0.000 0.998 207 R CA -0.131 55.971 56.100 0.003 0.000 1.081 207 R CB 0.081 30.390 30.300 0.015 0.000 0.940 207 R HN 0.389 nan 8.270 nan 0.000 0.413 208 S N 2.219 117.891 115.700 -0.048 0.000 2.994 208 S HA 0.030 4.500 4.470 0.000 0.000 0.247 208 S C 0.078 174.621 174.600 -0.096 0.000 1.323 208 S CA -0.225 57.914 58.200 -0.100 0.000 1.246 208 S CB -0.639 62.508 63.200 -0.089 0.000 0.994 208 S HN 0.728 nan 8.310 nan 0.000 0.484 209 S N 1.077 116.729 115.700 -0.080 0.000 2.580 209 S HA 0.043 4.514 4.470 0.000 0.000 0.261 209 S C 1.620 176.192 174.600 -0.046 0.000 1.366 209 S CA 0.024 58.193 58.200 -0.052 0.000 0.996 209 S CB 0.592 63.766 63.200 -0.044 0.000 0.902 209 S HN 0.616 nan 8.310 nan 0.000 0.566 210 S N 0.544 116.262 115.700 0.031 0.000 2.406 210 S HA -0.137 4.333 4.470 0.000 0.000 0.228 210 S C 1.949 176.609 174.600 0.101 0.000 1.020 210 S CA 0.906 59.207 58.200 0.168 0.000 0.965 210 S CB -1.261 62.007 63.200 0.114 0.000 0.798 210 S HN 0.944 nan 8.310 nan 0.000 0.488 211 S N 2.165 117.844 115.700 -0.035 0.000 2.338 211 S HA -0.044 4.426 4.470 0.000 0.000 0.218 211 S C 1.879 176.188 174.600 -0.485 0.000 1.032 211 S CA 1.096 59.222 58.200 -0.123 0.000 0.999 211 S CB -1.254 61.925 63.200 -0.034 0.000 0.905 211 S HN 0.363 nan 8.310 nan 0.000 0.439 212 V N 2.291 121.822 119.914 -0.638 0.000 2.392 212 V HA -0.165 3.955 4.120 0.000 0.000 0.249 212 V C 2.763 178.598 176.094 -0.432 0.000 1.059 212 V CA 2.154 63.993 62.300 -0.768 0.000 1.051 212 V CB -1.074 30.519 31.823 -0.384 0.000 0.658 212 V HN 0.574 nan 8.190 nan 0.000 0.455 213 S N -1.812 113.695 115.700 -0.321 0.000 2.371 213 S HA -0.022 4.448 4.470 0.000 0.000 0.221 213 S C 1.792 176.159 174.600 -0.389 0.000 1.036 213 S CA 1.080 59.046 58.200 -0.389 0.000 0.965 213 S CB -0.249 62.672 63.200 -0.465 0.000 0.845 213 S HN 0.629 nan 8.310 nan 0.000 0.475 214 Y N 0.134 120.328 120.300 -0.176 0.000 2.503 214 Y HA 0.302 4.852 4.550 0.000 0.000 0.277 214 Y C 1.874 177.669 175.900 -0.175 0.000 1.102 214 Y CA 0.144 58.150 58.100 -0.156 0.000 1.261 214 Y CB 0.235 38.613 38.460 -0.137 0.000 1.096 214 Y HN 0.180 nan 8.280 nan 0.000 0.546 215 I N -1.315 119.257 120.570 0.002 0.000 3.194 215 I HA -0.084 4.087 4.170 0.000 0.000 0.271 215 I C 1.918 178.104 176.117 0.116 0.000 1.150 215 I CA 0.999 62.303 61.300 0.007 0.000 1.440 215 I CB -1.297 36.765 38.000 0.103 0.000 1.276 215 I HN 0.289 nan 8.210 nan 0.000 0.457 216 H N 1.639 120.692 119.070 -0.030 0.000 2.353 216 H HA -0.112 4.444 4.556 0.000 0.000 0.298 216 H C -0.626 174.690 175.328 -0.021 0.000 1.103 216 H CA 1.314 57.351 56.048 -0.018 0.000 1.293 216 H CB -1.134 28.613 29.762 -0.025 0.000 1.372 216 H HN 0.310 nan 8.280 nan 0.000 0.501 217 P HA -0.039 nan 4.420 nan 0.000 0.237 217 P C 0.878 178.179 177.300 0.002 0.000 1.178 217 P CA 0.982 64.098 63.100 0.026 0.000 0.766 217 P CB -0.222 31.468 31.700 -0.016 0.000 0.876 218 I N -6.581 113.971 120.570 -0.031 0.000 4.009 218 I HA 0.153 4.324 4.170 0.000 0.000 0.331 218 I C 1.312 177.456 176.117 0.045 0.000 1.462 218 I CA -0.189 61.064 61.300 -0.078 0.000 1.117 218 I CB -0.197 37.627 38.000 -0.293 0.000 1.091 218 I HN -0.363 nan 8.210 nan 0.000 0.410 219 V N 1.932 121.930 119.914 0.139 0.000 2.252 219 V HA -0.224 3.896 4.120 0.000 0.000 0.249 219 V C 2.115 178.385 176.094 0.293 0.000 1.056 219 V CA 2.069 64.539 62.300 0.284 0.000 1.022 219 V CB -0.539 31.383 31.823 0.165 0.000 0.641 219 V HN 0.535 nan 8.190 nan 0.000 0.445 220 E N -0.184 120.124 120.200 0.180 0.000 2.403 220 E HA 0.078 4.429 4.350 0.000 0.000 0.188 220 E C 0.813 177.498 176.600 0.142 0.000 1.056 220 E CA -0.122 56.365 56.400 0.144 0.000 0.892 220 E CB -0.137 29.619 29.700 0.095 0.000 1.049 220 E HN 0.681 nan 8.360 nan 0.000 0.465 221 Q N 0.769 120.678 119.800 0.181 0.000 2.361 221 Q HA -0.036 4.304 4.340 0.000 0.000 0.276 221 Q C 0.653 176.762 176.000 0.182 0.000 1.022 221 Q CA 0.189 56.088 55.803 0.159 0.000 0.898 221 Q CB 0.742 29.567 28.738 0.144 0.000 1.246 221 Q HN -0.010 nan 8.270 nan 0.000 0.410 222 E N 1.396 121.676 120.200 0.132 0.000 2.208 222 E HA -0.164 4.187 4.350 0.000 0.000 0.193 222 E C 0.769 177.451 176.600 0.137 0.000 0.988 222 E CA 1.197 57.666 56.400 0.115 0.000 0.828 222 E CB 0.241 29.989 29.700 0.080 0.000 0.763 222 E HN 0.640 nan 8.360 nan 0.000 0.478 223 N N -0.131 118.671 118.700 0.169 0.000 2.276 223 N HA -0.042 4.698 4.740 0.000 0.000 0.212 223 N C -0.747 174.926 175.510 0.273 0.000 1.127 223 N CA -0.095 53.069 53.050 0.191 0.000 0.834 223 N CB 0.047 38.633 38.487 0.166 0.000 1.014 223 N HN 0.029 nan 8.380 nan 0.000 0.491 224 F N 1.116 121.131 119.950 0.108 0.000 2.539 224 F HA 0.491 5.018 4.527 0.000 0.000 0.328 224 F C -1.169 174.680 175.800 0.082 0.000 1.148 224 F CA -0.523 57.528 58.000 0.085 0.000 0.940 224 F CB 1.622 40.658 39.000 0.059 0.000 1.194 224 F HN -0.183 nan 8.300 nan 0.000 0.438 225 T N 7.373 121.455 114.554 -0.787 0.000 2.770 225 T HA 0.383 4.733 4.350 0.000 0.000 0.283 225 T C -0.622 173.497 174.700 -0.968 0.000 0.988 225 T CA -0.534 61.169 62.100 -0.662 0.000 0.957 225 T CB 1.345 70.041 68.868 -0.287 0.000 0.930 225 T HN 0.601 nan 8.240 nan 0.000 0.443 226 L N 4.806 125.634 121.223 -0.658 0.000 2.259 226 L HA 0.463 4.804 4.340 0.000 0.000 0.288 226 L C -0.984 175.867 176.870 -0.030 0.000 1.051 226 L CA -0.711 53.950 54.840 -0.298 0.000 0.824 226 L CB 0.422 42.450 42.059 -0.052 0.000 1.206 226 L HN 0.597 nan 8.230 nan 0.000 0.429 227 L N 5.078 126.255 121.223 -0.076 0.000 2.283 227 L HA 0.339 4.680 4.340 0.000 0.000 0.281 227 L C 0.487 177.385 176.870 0.047 0.000 1.033 227 L CA -0.220 54.615 54.840 -0.009 0.000 0.848 227 L CB 1.506 43.519 42.059 -0.077 0.000 1.226 227 L HN 0.566 nan 8.230 nan 0.000 0.429 228 T N -1.329 113.301 114.554 0.127 0.000 2.945 228 T HA 0.641 4.991 4.350 0.000 0.000 0.286 228 T C 0.930 175.690 174.700 0.099 0.000 1.025 228 T CA -0.041 62.134 62.100 0.126 0.000 1.039 228 T CB 1.863 70.839 68.868 0.179 0.000 1.068 228 T HN 0.777 nan 8.240 nan 0.000 0.497 229 G N 0.802 109.653 108.800 0.085 0.000 2.198 229 G HA2 -0.163 3.797 3.960 0.000 0.000 0.260 229 G HA3 -0.163 3.797 3.960 0.000 0.000 0.260 229 G C -0.220 174.723 174.900 0.071 0.000 1.025 229 G CA 0.333 45.472 45.100 0.065 0.000 0.769 229 G HN 0.922 nan 8.290 nan 0.000 0.507 230 L N -0.534 120.735 121.223 0.077 0.000 2.376 230 L HA 0.599 4.939 4.340 0.000 0.000 0.275 230 L C 0.424 177.348 176.870 0.091 0.000 0.987 230 L CA -0.964 53.921 54.840 0.074 0.000 0.828 230 L CB 2.080 44.165 42.059 0.044 0.000 1.249 230 L HN 0.189 nan 8.230 nan 0.000 0.409 231 R N 2.883 123.442 120.500 0.099 0.000 2.265 231 R HA 0.678 5.018 4.340 0.000 0.000 0.328 231 R C -0.241 176.061 176.300 0.005 0.000 0.969 231 R CA -0.382 55.795 56.100 0.127 0.000 0.832 231 R CB 1.466 31.902 30.300 0.226 0.000 1.139 231 R HN 0.752 nan 8.270 nan 0.000 0.457 232 A N 3.885 126.702 122.820 -0.005 0.000 2.462 232 A HA 0.119 4.439 4.320 0.000 0.000 0.243 232 A C 0.704 178.168 177.584 -0.201 0.000 1.076 232 A CA -0.224 51.760 52.037 -0.087 0.000 0.773 232 A CB 0.281 19.251 19.000 -0.051 0.000 1.010 232 A HN 1.065 nan 8.150 nan 0.000 0.493 233 R N 0.166 120.483 120.500 -0.304 0.000 2.435 233 R HA 0.356 4.696 4.340 0.000 0.000 0.221 233 R C 0.295 176.479 176.300 -0.193 0.000 0.885 233 R CA 0.134 55.961 56.100 -0.454 0.000 1.018 233 R CB 0.502 30.212 30.300 -0.984 0.000 1.259 233 R HN 0.675 nan 8.270 nan 0.000 0.597 234 Q N 0.874 120.597 119.800 -0.128 0.000 2.541 234 Q HA 0.307 4.647 4.340 0.000 0.000 0.259 234 Q C -1.817 174.165 176.000 -0.030 0.000 0.974 234 Q CA -0.549 55.225 55.803 -0.048 0.000 0.955 234 Q CB 2.014 30.729 28.738 -0.039 0.000 1.517 234 Q HN 0.168 nan 8.270 nan 0.000 0.412 235 L N 2.704 123.942 121.223 0.024 0.000 2.331 235 L HA 0.504 4.845 4.340 0.000 0.000 0.278 235 L C 0.058 176.920 176.870 -0.013 0.000 1.106 235 L CA -0.721 54.102 54.840 -0.028 0.000 0.824 235 L CB 1.351 43.418 42.059 0.014 0.000 1.142 235 L HN 0.404 nan 8.230 nan 0.000 0.443 236 V N 4.495 124.310 119.914 -0.165 0.000 2.439 236 V HA 0.438 4.558 4.120 0.000 0.000 0.282 236 V C -0.499 175.428 176.094 -0.278 0.000 1.039 236 V CA -0.116 62.130 62.300 -0.090 0.000 0.913 236 V CB 1.042 32.829 31.823 -0.061 0.000 0.983 236 V HN 0.447 nan 8.190 nan 0.000 0.460 237 F N 3.707 123.651 119.950 -0.011 0.000 2.541 237 F HA 0.563 5.090 4.527 0.000 0.000 0.331 237 F C 0.531 176.326 175.800 -0.008 0.000 1.057 237 F CA -0.641 57.354 58.000 -0.009 0.000 0.975 237 F CB 1.174 40.169 39.000 -0.009 0.000 1.246 237 F HN 0.444 nan 8.300 nan 0.000 0.484 238 D N -0.060 120.457 120.400 0.194 0.000 2.398 238 D HA 0.364 5.004 4.640 0.000 0.000 0.247 238 D C 0.894 177.251 176.300 0.095 0.000 1.227 238 D CA 0.213 54.275 54.000 0.102 0.000 0.980 238 D CB 1.227 42.075 40.800 0.080 0.000 1.106 238 D HN 0.544 nan 8.370 nan 0.000 0.493 239 A N 0.459 123.312 122.820 0.055 0.000 1.969 239 A HA -0.140 4.180 4.320 0.000 0.000 0.218 239 A C 1.469 179.076 177.584 0.038 0.000 1.169 239 A CA 1.307 53.367 52.037 0.038 0.000 0.635 239 A CB -0.173 18.841 19.000 0.024 0.000 0.810 239 A HN 0.477 nan 8.150 nan 0.000 0.445 240 D N -1.308 119.119 120.400 0.045 0.000 2.363 240 D HA 0.017 4.657 4.640 0.000 0.000 0.220 240 D C 0.488 176.825 176.300 0.060 0.000 0.994 240 D CA 0.323 54.348 54.000 0.042 0.000 0.890 240 D CB -0.039 40.783 40.800 0.036 0.000 0.906 240 D HN 0.391 nan 8.370 nan 0.000 0.530 241 R N -0.500 120.060 120.500 0.100 0.000 3.854 241 R HA -0.133 4.208 4.340 0.000 0.000 0.430 241 R C 0.375 176.827 176.300 0.254 0.000 1.068 241 R CA 0.250 56.439 56.100 0.148 0.000 1.104 241 R CB -1.296 29.036 30.300 0.053 0.000 1.729 241 R HN 0.140 nan 8.270 nan 0.000 0.533 242 R N 1.410 122.021 120.500 0.185 0.000 2.357 242 R HA 0.178 4.518 4.340 0.000 0.000 0.296 242 R C -0.293 176.044 176.300 0.063 0.000 1.052 242 R CA -0.020 56.152 56.100 0.120 0.000 0.988 242 R CB 1.054 31.382 30.300 0.047 0.000 1.025 242 R HN 0.238 nan 8.270 nan 0.000 0.469 243 C N 5.012 124.259 119.300 -0.090 0.000 2.442 243 C HA 0.177 4.637 4.460 0.000 0.000 0.362 243 C C 1.893 176.717 174.990 -0.277 0.000 1.242 243 C CA -0.027 58.701 59.018 -0.483 0.000 1.741 243 C CB -0.676 26.730 27.740 -0.556 0.000 2.378 243 C HN 0.893 nan 8.230 nan 0.000 0.549 244 T N 2.415 116.812 114.554 -0.261 0.000 3.086 244 T HA 0.506 4.856 4.350 0.000 0.000 0.250 244 T C 0.885 175.507 174.700 -0.129 0.000 1.074 244 T CA 0.835 62.849 62.100 -0.143 0.000 0.988 244 T CB -0.005 68.810 68.868 -0.087 0.000 0.988 244 T HN 1.568 nan 8.240 nan 0.000 0.530 245 G N 0.137 108.827 108.800 -0.184 0.000 2.295 245 G HA2 0.331 4.291 3.960 0.000 0.000 0.155 245 G HA3 0.331 4.291 3.960 0.000 0.000 0.155 245 G C -1.495 173.333 174.900 -0.121 0.000 1.307 245 G CA -0.132 44.898 45.100 -0.117 0.000 1.140 245 G HN 1.027 nan 8.290 nan 0.000 0.470 246 V N 0.998 120.873 119.914 -0.065 0.000 2.823 246 V HA 0.549 4.669 4.120 0.000 0.000 0.296 246 V C -1.864 174.209 176.094 -0.035 0.000 1.250 246 V CA -0.777 61.487 62.300 -0.060 0.000 0.939 246 V CB 1.979 33.768 31.823 -0.057 0.000 1.062 246 V HN 0.754 nan 8.190 nan 0.000 0.433 247 D N 6.466 126.834 120.400 -0.053 0.000 2.295 247 D HA 0.528 5.169 4.640 0.000 0.000 0.248 247 D C 0.097 176.347 176.300 -0.084 0.000 1.154 247 D CA 0.368 54.335 54.000 -0.056 0.000 0.857 247 D CB 1.554 42.307 40.800 -0.079 0.000 1.117 247 D HN 0.747 nan 8.370 nan 0.000 0.468 248 I N -1.310 119.240 120.570 -0.032 0.000 2.957 248 I HA 0.723 4.893 4.170 0.000 0.000 0.310 248 I C -0.492 175.632 176.117 0.012 0.000 1.063 248 I CA -1.227 60.056 61.300 -0.028 0.000 1.033 248 I CB 2.197 40.213 38.000 0.026 0.000 1.230 248 I HN 0.075 nan 8.210 nan 0.000 0.447 249 V N 0.455 120.377 119.914 0.014 0.000 2.735 249 V HA 0.479 4.599 4.120 0.000 0.000 0.310 249 V C -0.234 175.946 176.094 0.143 0.000 1.061 249 V CA -0.374 61.985 62.300 0.099 0.000 0.913 249 V CB 1.467 33.330 31.823 0.067 0.000 1.005 249 V HN 0.975 nan 8.190 nan 0.000 0.428 250 D N 2.068 122.581 120.400 0.188 0.000 2.317 250 D HA 0.151 4.792 4.640 0.000 0.000 0.211 250 D C 0.638 177.011 176.300 0.122 0.000 0.966 250 D CA 0.845 54.932 54.000 0.145 0.000 0.876 250 D CB 0.145 41.039 40.800 0.156 0.000 0.927 250 D HN 0.692 nan 8.370 nan 0.000 0.519 251 S N -1.332 114.447 115.700 0.130 0.000 2.656 251 S HA 0.627 5.098 4.470 0.000 0.000 0.273 251 S C 0.522 175.213 174.600 0.151 0.000 1.168 251 S CA -0.609 57.662 58.200 0.118 0.000 0.817 251 S CB 1.290 64.549 63.200 0.099 0.000 1.146 251 S HN 0.061 nan 8.310 nan 0.000 0.475 252 A N -0.453 122.446 122.820 0.131 0.000 2.216 252 A HA 0.277 4.597 4.320 0.000 0.000 0.214 252 A C 0.626 178.211 177.584 0.003 0.000 1.160 252 A CA 1.158 53.246 52.037 0.084 0.000 0.725 252 A CB -0.647 18.368 19.000 0.026 0.000 0.784 252 A HN 0.645 nan 8.150 nan 0.000 0.472 253 F N -1.485 118.472 119.950 0.011 0.000 2.838 253 F HA 0.305 4.832 4.527 0.000 0.000 0.329 253 F C 1.524 177.226 175.800 -0.164 0.000 1.116 253 F CA -0.333 57.640 58.000 -0.045 0.000 1.155 253 F CB 0.393 39.359 39.000 -0.058 0.000 1.106 253 F HN 0.225 nan 8.300 nan 0.000 0.538 254 G N -0.099 108.695 108.800 -0.010 0.000 2.771 254 G HA2 0.111 4.071 3.960 0.000 0.000 0.242 254 G HA3 0.111 4.071 3.960 0.000 0.000 0.242 254 G C -0.631 174.106 174.900 -0.272 0.000 1.233 254 G CA -0.205 44.764 45.100 -0.217 0.000 0.858 254 G HN 0.361 nan 8.290 nan 0.000 0.591 255 H N -1.666 117.435 119.070 0.052 0.000 2.495 255 H HA 0.521 5.077 4.556 0.000 0.000 0.350 255 H C 0.196 175.368 175.328 -0.260 0.000 1.202 255 H CA -0.540 55.445 56.048 -0.105 0.000 1.322 255 H CB 0.639 30.306 29.762 -0.158 0.000 1.544 255 H HN 0.325 nan 8.280 nan 0.000 0.565 256 T N 2.421 116.873 114.554 -0.170 0.000 2.738 256 T HA 0.187 4.537 4.350 0.000 0.000 0.298 256 T C -0.473 174.060 174.700 -0.278 0.000 0.962 256 T CA -0.697 61.297 62.100 -0.177 0.000 0.972 256 T CB -0.252 68.552 68.868 -0.106 0.000 0.928 256 T HN 0.474 nan 8.240 nan 0.000 0.474 257 H N 2.738 121.824 119.070 0.027 0.000 2.504 257 H HA 0.345 4.901 4.556 0.000 0.000 0.322 257 H C 0.320 175.649 175.328 0.002 0.000 1.055 257 H CA -0.646 55.413 56.048 0.019 0.000 1.231 257 H CB 1.356 31.135 29.762 0.028 0.000 1.417 257 H HN 0.431 nan 8.280 nan 0.000 0.472 258 R N 3.149 123.704 120.500 0.093 0.000 2.490 258 R HA 0.352 4.692 4.340 0.000 0.000 0.280 258 R C -0.759 175.582 176.300 0.069 0.000 1.077 258 R CA -0.378 55.752 56.100 0.050 0.000 1.065 258 R CB 0.470 30.782 30.300 0.020 0.000 1.003 258 R HN 0.483 nan 8.270 nan 0.000 0.470 259 L N 2.192 123.448 121.223 0.056 0.000 2.333 259 L HA 0.522 4.862 4.340 0.000 0.000 0.269 259 L C -0.322 176.583 176.870 0.060 0.000 1.010 259 L CA -0.839 54.055 54.840 0.090 0.000 0.818 259 L CB 2.469 44.594 42.059 0.110 0.000 1.306 259 L HN 0.646 nan 8.230 nan 0.000 0.430 260 T N 1.200 115.806 114.554 0.088 0.000 2.861 260 T HA 0.722 5.072 4.350 0.000 0.000 0.287 260 T C -0.773 173.963 174.700 0.060 0.000 1.003 260 T CA -0.534 61.586 62.100 0.032 0.000 0.977 260 T CB 1.886 70.749 68.868 -0.009 0.000 0.996 260 T HN 0.648 nan 8.240 nan 0.000 0.448 261 A N 2.557 125.379 122.820 0.003 0.000 2.330 261 A HA 0.547 4.867 4.320 0.000 0.000 0.313 261 A C 0.935 178.476 177.584 -0.072 0.000 1.124 261 A CA -0.714 51.315 52.037 -0.014 0.000 0.774 261 A CB 0.958 19.943 19.000 -0.025 0.000 1.198 261 A HN 0.901 nan 8.150 nan 0.000 0.465 262 R N 1.321 121.759 120.500 -0.104 0.000 2.119 262 R HA -0.042 4.298 4.340 0.000 0.000 0.222 262 R C 0.872 177.074 176.300 -0.162 0.000 1.088 262 R CA 1.278 57.305 56.100 -0.122 0.000 0.984 262 R CB 0.114 30.342 30.300 -0.120 0.000 0.884 262 R HN 0.726 nan 8.270 nan 0.000 0.447 263 N N -0.030 118.504 118.700 -0.277 0.000 2.660 263 N HA 0.093 4.833 4.740 0.000 0.000 0.231 263 N C -0.254 175.155 175.510 -0.167 0.000 1.022 263 N CA 0.648 53.498 53.050 -0.333 0.000 1.178 263 N CB 0.586 38.585 38.487 -0.814 0.000 1.536 263 N HN 0.030 nan 8.380 nan 0.000 0.582 264 E N 0.044 120.162 120.200 -0.138 0.000 2.331 264 E HA 0.406 4.756 4.350 0.000 0.000 0.275 264 E C -1.338 175.347 176.600 0.142 0.000 0.895 264 E CA -0.526 55.942 56.400 0.114 0.000 0.753 264 E CB 3.233 33.126 29.700 0.321 0.000 1.216 264 E HN -0.191 nan 8.360 nan 0.000 0.434 265 V N 2.403 122.353 119.914 0.059 0.000 2.439 265 V HA 0.245 4.366 4.120 0.000 0.000 0.282 265 V C -0.363 175.759 176.094 0.047 0.000 1.039 265 V CA -0.574 61.748 62.300 0.037 0.000 0.913 265 V CB 1.691 33.487 31.823 -0.044 0.000 0.983 265 V HN 0.407 nan 8.190 nan 0.000 0.460 266 V N 6.639 126.579 119.914 0.042 0.000 2.334 266 V HA 0.348 4.468 4.120 0.000 0.000 0.281 266 V C 0.086 176.176 176.094 -0.006 0.000 1.016 266 V CA -0.486 61.824 62.300 0.017 0.000 0.832 266 V CB 1.537 33.363 31.823 0.005 0.000 0.999 266 V HN 0.611 nan 8.190 nan 0.000 0.439 267 L N 4.430 125.646 121.223 -0.011 0.000 2.433 267 L HA 0.258 4.599 4.340 0.000 0.000 0.275 267 L C 0.636 177.484 176.870 -0.037 0.000 1.128 267 L CA 0.381 55.206 54.840 -0.025 0.000 0.875 267 L CB 1.160 43.203 42.059 -0.026 0.000 1.171 267 L HN 0.722 nan 8.230 nan 0.000 0.463 268 S N -0.487 115.190 115.700 -0.038 0.000 3.021 268 S HA 0.017 4.487 4.470 0.000 0.000 0.252 268 S C 1.105 175.679 174.600 -0.043 0.000 0.996 268 S CA -0.273 57.901 58.200 -0.043 0.000 1.084 268 S CB 0.500 63.676 63.200 -0.040 0.000 1.021 268 S HN 0.802 nan 8.310 nan 0.000 0.566 269 T N -0.052 114.469 114.554 -0.054 0.000 3.194 269 T HA 0.490 4.840 4.350 0.000 0.000 0.251 269 T C 1.192 175.836 174.700 -0.093 0.000 1.132 269 T CA 0.408 62.469 62.100 -0.064 0.000 1.028 269 T CB -0.167 68.649 68.868 -0.086 0.000 0.976 269 T HN 0.721 nan 8.240 nan 0.000 0.535 270 G N 0.652 109.398 108.800 -0.090 0.000 2.627 270 G HA2 0.139 4.100 3.960 0.000 0.000 0.214 270 G HA3 0.139 4.100 3.960 0.000 0.000 0.214 270 G C 0.661 175.477 174.900 -0.141 0.000 1.331 270 G CA -0.362 44.678 45.100 -0.100 0.000 0.891 270 G HN 0.874 nan 8.290 nan 0.000 0.539 271 A N -1.039 121.689 122.820 -0.154 0.000 2.132 271 A HA 0.556 4.876 4.320 0.000 0.000 0.213 271 A C 2.321 179.764 177.584 -0.235 0.000 1.154 271 A CA 1.795 53.718 52.037 -0.190 0.000 0.753 271 A CB -0.149 18.735 19.000 -0.194 0.000 0.826 271 A HN 0.762 nan 8.150 nan 0.000 0.469 272 I N -1.147 119.257 120.570 -0.276 0.000 2.512 272 I HA -0.047 4.123 4.170 0.000 0.000 0.247 272 I C 1.708 177.604 176.117 -0.369 0.000 1.094 272 I CA 0.788 61.861 61.300 -0.378 0.000 1.427 272 I CB -0.103 37.568 38.000 -0.549 0.000 1.149 272 I HN 0.128 nan 8.210 nan 0.000 0.438 273 D N 0.452 120.641 120.400 -0.352 0.000 2.183 273 D HA -0.107 4.533 4.640 0.000 0.000 0.203 273 D C 2.104 178.283 176.300 -0.202 0.000 0.969 273 D CA 1.355 55.169 54.000 -0.309 0.000 0.842 273 D CB 0.072 40.657 40.800 -0.358 0.000 0.957 273 D HN 0.239 nan 8.370 nan 0.000 0.484 274 T N 1.697 116.149 114.554 -0.169 0.000 2.622 274 T HA -0.114 4.236 4.350 0.000 0.000 0.266 274 T C -0.917 173.715 174.700 -0.113 0.000 1.047 274 T CA 1.641 63.667 62.100 -0.123 0.000 1.159 274 T CB -1.040 67.761 68.868 -0.112 0.000 0.863 274 T HN 0.245 nan 8.240 nan 0.000 0.422 275 P HA -0.054 nan 4.420 nan 0.000 0.219 275 P C 1.396 178.638 177.300 -0.096 0.000 1.150 275 P CA 1.204 64.237 63.100 -0.110 0.000 0.814 275 P CB -0.014 31.605 31.700 -0.135 0.000 0.787 276 K N 0.490 120.815 120.400 -0.126 0.000 2.009 276 K HA -0.131 4.190 4.320 0.000 0.000 0.210 276 K C 2.281 178.841 176.600 -0.066 0.000 1.049 276 K CA 1.291 57.516 56.287 -0.104 0.000 0.929 276 K CB -0.755 31.658 32.500 -0.144 0.000 0.714 276 K HN 0.046 nan 8.250 nan 0.000 0.440 277 L N 0.961 122.142 121.223 -0.069 0.000 2.131 277 L HA -0.166 4.174 4.340 0.000 0.000 0.210 277 L C 2.352 179.214 176.870 -0.013 0.000 1.092 277 L CA 0.900 55.716 54.840 -0.039 0.000 0.759 277 L CB -0.193 41.838 42.059 -0.046 0.000 0.903 277 L HN 0.355 nan 8.230 nan 0.000 0.435 278 L N -1.254 119.958 121.223 -0.018 0.000 2.072 278 L HA -0.219 4.121 4.340 0.000 0.000 0.205 278 L C 2.599 179.468 176.870 -0.001 0.000 1.079 278 L CA 1.152 55.995 54.840 0.005 0.000 0.752 278 L CB -0.249 41.803 42.059 -0.011 0.000 0.906 278 L HN 0.278 nan 8.230 nan 0.000 0.436 279 M N -0.757 118.834 119.600 -0.015 0.000 2.229 279 M HA -0.207 4.273 4.480 0.000 0.000 0.264 279 M C 2.181 178.469 176.300 -0.020 0.000 1.063 279 M CA 1.600 56.893 55.300 -0.011 0.000 1.114 279 M CB -0.166 32.439 32.600 0.009 0.000 1.387 279 M HN 0.260 nan 8.290 nan 0.000 0.420 280 L N -0.970 120.244 121.223 -0.015 0.000 2.217 280 L HA -0.088 4.252 4.340 0.000 0.000 0.211 280 L C 1.785 178.660 176.870 0.009 0.000 1.107 280 L CA 0.660 55.496 54.840 -0.007 0.000 0.783 280 L CB -0.193 41.869 42.059 0.005 0.000 0.919 280 L HN 0.166 nan 8.230 nan 0.000 0.442 281 S N -0.298 115.419 115.700 0.028 0.000 2.671 281 S HA 0.185 4.656 4.470 0.000 0.000 0.220 281 S C 1.419 176.024 174.600 0.007 0.000 0.951 281 S CA 0.584 58.830 58.200 0.076 0.000 0.932 281 S CB 0.362 63.670 63.200 0.180 0.000 0.777 281 S HN 0.616 nan 8.310 nan 0.000 0.508 282 G N 1.670 110.453 108.800 -0.029 0.000 2.162 282 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 282 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 282 G C 0.022 174.864 174.900 -0.097 0.000 0.976 282 G CA -0.085 44.972 45.100 -0.072 0.000 0.655 282 G HN 0.549 nan 8.290 nan 0.000 0.533 283 I N 1.040 121.564 120.570 -0.076 0.000 2.321 283 I HA 0.644 4.814 4.170 0.000 0.000 0.291 283 I C 0.871 176.963 176.117 -0.041 0.000 0.998 283 I CA 0.239 61.493 61.300 -0.076 0.000 1.227 283 I CB 1.252 39.209 38.000 -0.072 0.000 1.368 283 I HN 0.500 nan 8.210 nan 0.000 0.466 284 G N 6.810 115.588 108.800 -0.037 0.000 2.343 284 G HA2 0.177 4.137 3.960 0.000 0.000 0.289 284 G HA3 0.177 4.137 3.960 0.000 0.000 0.289 284 G C -3.368 171.528 174.900 -0.006 0.000 1.295 284 G CA -0.861 44.230 45.100 -0.015 0.000 0.869 284 G HN 0.240 nan 8.290 nan 0.000 0.522 285 P HA 0.405 nan 4.420 nan 0.000 0.271 285 P C 0.865 178.185 177.300 0.034 0.000 1.226 285 P CA 0.673 63.780 63.100 0.013 0.000 0.765 285 P CB 1.295 33.001 31.700 0.009 0.000 0.835 286 A N 4.923 127.746 122.820 0.006 0.000 1.908 286 A HA -0.182 4.138 4.320 0.000 0.000 0.218 286 A C 2.137 179.725 177.584 0.006 0.000 1.181 286 A CA 2.190 54.226 52.037 -0.003 0.000 0.627 286 A CB -1.539 17.452 19.000 -0.015 0.000 0.818 286 A HN 0.513 nan 8.150 nan 0.000 0.445 287 A N -1.172 121.657 122.820 0.016 0.000 1.933 287 A HA -0.168 4.152 4.320 0.000 0.000 0.218 287 A C 2.037 179.648 177.584 0.045 0.000 1.175 287 A CA 2.148 54.193 52.037 0.014 0.000 0.628 287 A CB -0.799 18.206 19.000 0.010 0.000 0.814 287 A HN 0.764 nan 8.150 nan 0.000 0.444 288 H N 0.116 119.174 119.070 -0.022 0.000 2.357 288 H HA 0.044 4.600 4.556 0.000 0.000 0.301 288 H C 1.711 177.080 175.328 0.070 0.000 1.082 288 H CA 1.838 57.894 56.048 0.012 0.000 1.342 288 H CB -0.255 29.519 29.762 0.021 0.000 1.389 288 H HN 0.356 nan 8.280 nan 0.000 0.511 289 L N -0.422 120.775 121.223 -0.043 0.000 2.093 289 L HA -0.088 4.252 4.340 0.000 0.000 0.208 289 L C 2.813 179.641 176.870 -0.070 0.000 1.085 289 L CA 0.976 55.764 54.840 -0.087 0.000 0.755 289 L CB -0.820 41.214 42.059 -0.041 0.000 0.904 289 L HN 0.390 nan 8.230 nan 0.000 0.435 290 A N 0.226 123.010 122.820 -0.059 0.000 1.877 290 A HA -0.269 4.051 4.320 0.000 0.000 0.216 290 A C 2.210 179.731 177.584 -0.106 0.000 1.186 290 A CA 1.788 53.787 52.037 -0.063 0.000 0.620 290 A CB -0.629 18.343 19.000 -0.047 0.000 0.822 290 A HN 0.449 nan 8.150 nan 0.000 0.443 291 E N -0.952 119.153 120.200 -0.159 0.000 2.236 291 E HA -0.285 4.065 4.350 0.000 0.000 0.205 291 E C 0.793 177.108 176.600 -0.476 0.000 1.028 291 E CA 1.837 58.055 56.400 -0.304 0.000 0.827 291 E CB -0.152 29.345 29.700 -0.339 0.000 0.735 291 E HN 0.873 nan 8.360 nan 0.000 0.470 292 H N -2.405 116.578 119.070 -0.145 0.000 2.528 292 H HA 0.314 4.870 4.556 0.000 0.000 0.282 292 H C 0.678 175.950 175.328 -0.093 0.000 1.097 292 H CA 0.228 56.199 56.048 -0.129 0.000 1.121 292 H CB 1.354 31.001 29.762 -0.191 0.000 1.590 292 H HN 0.269 nan 8.280 nan 0.000 0.553 293 G N 1.201 109.995 108.800 -0.009 0.000 2.179 293 G HA2 -0.317 3.643 3.960 0.000 0.000 0.257 293 G HA3 -0.317 3.643 3.960 0.000 0.000 0.257 293 G C -0.008 174.888 174.900 -0.007 0.000 1.010 293 G CA 0.185 45.279 45.100 -0.010 0.000 0.736 293 G HN 0.349 nan 8.290 nan 0.000 0.513 294 I N 0.829 121.392 120.570 -0.011 0.000 2.342 294 I HA 0.249 4.419 4.170 0.000 0.000 0.291 294 I C 0.947 177.048 176.117 -0.027 0.000 1.010 294 I CA -0.516 60.773 61.300 -0.018 0.000 1.308 294 I CB 1.220 39.204 38.000 -0.027 0.000 1.400 294 I HN 0.173 nan 8.210 nan 0.000 0.488 295 E N 4.907 125.092 120.200 -0.025 0.000 2.442 295 E HA 0.055 4.405 4.350 0.000 0.000 0.262 295 E C -0.916 175.658 176.600 -0.045 0.000 1.004 295 E CA -0.205 56.176 56.400 -0.032 0.000 0.928 295 E CB 0.888 30.572 29.700 -0.028 0.000 0.937 295 E HN 0.320 nan 8.360 nan 0.000 0.446 296 V N 6.877 126.762 119.914 -0.048 0.000 2.389 296 V HA -0.033 4.088 4.120 0.000 0.000 0.264 296 V C 1.051 177.095 176.094 -0.084 0.000 1.049 296 V CA -0.094 62.170 62.300 -0.060 0.000 0.932 296 V CB 0.807 32.601 31.823 -0.049 0.000 1.011 296 V HN 0.684 nan 8.190 nan 0.000 0.475 297 L N 6.595 127.744 121.223 -0.122 0.000 2.102 297 L HA 0.242 4.583 4.340 0.000 0.000 0.202 297 L C 0.626 177.396 176.870 -0.167 0.000 1.076 297 L CA 1.844 56.575 54.840 -0.180 0.000 0.761 297 L CB 0.473 42.342 42.059 -0.317 0.000 0.921 297 L HN 0.439 nan 8.230 nan 0.000 0.444 298 V N 0.430 120.255 119.914 -0.149 0.000 2.686 298 V HA 0.281 4.401 4.120 0.000 0.000 0.306 298 V C -1.149 174.900 176.094 -0.075 0.000 1.065 298 V CA -1.050 61.186 62.300 -0.108 0.000 0.894 298 V CB 1.514 33.269 31.823 -0.112 0.000 1.004 298 V HN 0.042 nan 8.190 nan 0.000 0.424 299 D N 2.977 123.343 120.400 -0.055 0.000 2.416 299 D HA 0.108 4.748 4.640 0.000 0.000 0.240 299 D C 0.064 176.342 176.300 -0.037 0.000 1.250 299 D CA 0.664 54.641 54.000 -0.040 0.000 0.967 299 D CB 0.761 41.541 40.800 -0.033 0.000 1.059 299 D HN 0.511 nan 8.370 nan 0.000 0.512 300 S N 4.836 120.513 115.700 -0.037 0.000 2.505 300 S HA 0.329 4.799 4.470 0.000 0.000 0.280 300 S C -1.677 172.901 174.600 -0.036 0.000 1.197 300 S CA -1.440 56.739 58.200 -0.035 0.000 1.138 300 S CB 1.131 64.308 63.200 -0.038 0.000 1.010 300 S HN 0.307 nan 8.310 nan 0.000 0.480 301 P HA 0.055 nan 4.420 nan 0.000 0.226 301 P C 1.263 178.514 177.300 -0.082 0.000 1.153 301 P CA 0.607 63.678 63.100 -0.048 0.000 0.777 301 P CB -0.098 31.580 31.700 -0.036 0.000 0.794 302 G N 0.119 108.886 108.800 -0.055 0.000 2.920 302 G HA2 0.055 4.015 3.960 0.000 0.000 0.208 302 G HA3 0.055 4.015 3.960 0.000 0.000 0.208 302 G C 0.482 175.306 174.900 -0.126 0.000 1.159 302 G CA -0.052 45.007 45.100 -0.069 0.000 0.784 302 G HN 0.143 nan 8.290 nan 0.000 0.535 303 V N 1.098 120.951 119.914 -0.103 0.000 2.479 303 V HA 0.462 4.582 4.120 0.000 0.000 0.281 303 V C 1.656 177.664 176.094 -0.143 0.000 1.031 303 V CA 0.942 63.181 62.300 -0.103 0.000 1.038 303 V CB 0.290 32.073 31.823 -0.066 0.000 0.981 303 V HN 0.619 nan 8.190 nan 0.000 0.478 304 G N 3.376 112.078 108.800 -0.163 0.000 2.212 304 G HA2 -0.211 3.749 3.960 0.000 0.000 0.266 304 G HA3 -0.211 3.749 3.960 0.000 0.000 0.266 304 G C 0.250 174.995 174.900 -0.257 0.000 0.978 304 G CA 0.284 45.266 45.100 -0.198 0.000 0.632 304 G HN 0.629 nan 8.290 nan 0.000 0.537 305 E N -0.341 119.657 120.200 -0.337 0.000 2.405 305 E HA 0.433 4.783 4.350 0.000 0.000 0.253 305 E C 1.003 177.317 176.600 -0.477 0.000 1.257 305 E CA -0.086 55.994 56.400 -0.533 0.000 0.960 305 E CB -0.087 29.088 29.700 -0.875 0.000 1.077 305 E HN 0.655 nan 8.360 nan 0.000 0.512 306 H N -1.879 117.098 119.070 -0.155 0.000 2.861 306 H HA -0.200 4.356 4.556 0.000 0.000 0.289 306 H C 0.115 175.326 175.328 -0.194 0.000 1.176 306 H CA 0.017 55.963 56.048 -0.169 0.000 1.146 306 H CB -1.699 27.952 29.762 -0.185 0.000 1.330 306 H HN 0.080 nan 8.280 nan 0.000 0.379 307 L N 2.056 123.197 121.223 -0.137 0.000 2.615 307 L HA 0.085 4.425 4.340 0.000 0.000 0.271 307 L C 0.334 177.109 176.870 -0.158 0.000 1.183 307 L CA 0.801 55.537 54.840 -0.175 0.000 0.933 307 L CB 0.392 42.326 42.059 -0.209 0.000 1.199 307 L HN 0.293 nan 8.230 nan 0.000 0.487 308 Q N 3.551 123.251 119.800 -0.166 0.000 2.348 308 Q HA 0.627 4.967 4.340 0.000 0.000 0.271 308 Q C -1.203 174.758 176.000 -0.066 0.000 1.067 308 Q CA -0.796 54.940 55.803 -0.111 0.000 0.839 308 Q CB 2.364 31.032 28.738 -0.117 0.000 1.354 308 Q HN 0.684 nan 8.270 nan 0.000 0.447 309 D N -0.829 119.627 120.400 0.092 0.000 2.643 309 D HA 0.239 4.879 4.640 0.000 0.000 0.283 309 D C -1.619 174.777 176.300 0.161 0.000 1.242 309 D CA -0.584 53.521 54.000 0.175 0.000 0.863 309 D CB 1.357 42.309 40.800 0.253 0.000 1.382 309 D HN 0.535 nan 8.370 nan 0.000 0.444 310 H N 0.848 120.030 119.070 0.188 0.000 2.685 310 H HA 0.378 4.934 4.556 0.000 0.000 0.286 310 H C -1.768 173.541 175.328 -0.030 0.000 1.102 310 H CA -1.672 54.386 56.048 0.017 0.000 1.254 310 H CB 1.238 30.973 29.762 -0.045 0.000 1.397 310 H HN 0.032 nan 8.280 nan 0.000 0.473 311 P HA 0.050 nan 4.420 nan 0.000 0.274 311 P C -0.350 176.923 177.300 -0.044 0.000 1.237 311 P CA -0.290 62.726 63.100 -0.140 0.000 0.793 311 P CB 1.645 33.067 31.700 -0.463 0.000 0.977 312 E N 0.076 120.254 120.200 -0.036 0.000 2.256 312 E HA 0.545 4.895 4.350 0.000 0.000 0.268 312 E C -0.537 176.118 176.600 0.092 0.000 0.877 312 E CA -0.841 55.570 56.400 0.019 0.000 0.757 312 E CB 1.647 31.308 29.700 -0.066 0.000 1.183 312 E HN 0.566 nan 8.360 nan 0.000 0.418 313 G N 1.320 110.181 108.800 0.101 0.000 2.521 313 G HA2 0.592 4.552 3.960 0.000 0.000 0.323 313 G HA3 0.592 4.552 3.960 0.000 0.000 0.323 313 G C -1.203 173.769 174.900 0.120 0.000 1.211 313 G CA -0.431 44.728 45.100 0.099 0.000 0.979 313 G HN 0.362 nan 8.290 nan 0.000 0.490 314 V N -0.617 119.381 119.914 0.139 0.000 2.925 314 V HA 0.694 4.814 4.120 0.000 0.000 0.311 314 V C -1.225 174.951 176.094 0.136 0.000 1.104 314 V CA -0.563 61.840 62.300 0.172 0.000 0.954 314 V CB 2.302 34.266 31.823 0.234 0.000 1.022 314 V HN 0.607 nan 8.190 nan 0.000 0.427 315 V N 6.362 126.313 119.914 0.062 0.000 2.482 315 V HA 0.530 4.650 4.120 0.000 0.000 0.295 315 V C -0.446 175.481 176.094 -0.279 0.000 1.026 315 V CA -0.546 61.669 62.300 -0.142 0.000 0.856 315 V CB 1.554 33.306 31.823 -0.117 0.000 1.001 315 V HN 0.975 nan 8.190 nan 0.000 0.424 316 Q N 3.567 123.116 119.800 -0.419 0.000 2.248 316 Q HA 0.820 5.160 4.340 0.000 0.000 0.263 316 Q C -1.575 173.970 176.000 -0.758 0.000 1.007 316 Q CA -0.503 55.061 55.803 -0.398 0.000 0.877 316 Q CB 2.859 31.504 28.738 -0.155 0.000 1.315 316 Q HN 0.644 nan 8.270 nan 0.000 0.454 317 F N -0.167 119.569 119.950 -0.357 0.000 2.608 317 F HA 0.249 4.776 4.527 0.000 0.000 0.309 317 F C -0.039 175.582 175.800 -0.298 0.000 1.103 317 F CA -0.932 56.826 58.000 -0.404 0.000 0.954 317 F CB 1.987 40.480 39.000 -0.845 0.000 1.267 317 F HN 0.342 nan 8.300 nan 0.000 0.444 318 E N 1.610 121.871 120.200 0.103 0.000 2.354 318 E HA 0.495 4.845 4.350 0.000 0.000 0.269 318 E C -0.563 176.185 176.600 0.246 0.000 1.036 318 E CA -0.412 56.068 56.400 0.133 0.000 0.876 318 E CB 1.541 31.309 29.700 0.114 0.000 1.009 318 E HN 0.622 nan 8.360 nan 0.000 0.416 319 A N 3.331 126.343 122.820 0.320 0.000 2.328 319 A HA 0.129 4.450 4.320 0.000 0.000 0.284 319 A C 0.777 178.527 177.584 0.277 0.000 1.160 319 A CA -0.303 52.012 52.037 0.464 0.000 0.818 319 A CB 0.514 19.863 19.000 0.581 0.000 1.087 319 A HN 0.652 nan 8.150 nan 0.000 0.504 320 K N 0.608 121.137 120.400 0.216 0.000 2.147 320 K HA -0.128 4.192 4.320 0.000 0.000 0.205 320 K C 0.360 176.964 176.600 0.007 0.000 1.049 320 K CA 1.370 57.696 56.287 0.064 0.000 0.936 320 K CB -0.041 32.448 32.500 -0.018 0.000 0.722 320 K HN 0.865 nan 8.250 nan 0.000 0.446 321 Q N -0.091 119.711 119.800 0.003 0.000 2.399 321 Q HA 0.354 4.694 4.340 0.000 0.000 0.276 321 Q C -2.722 173.396 176.000 0.196 0.000 1.098 321 Q CA -2.795 52.999 55.803 -0.015 0.000 0.827 321 Q CB 1.072 29.639 28.738 -0.285 0.000 1.386 321 Q HN -0.199 nan 8.270 nan 0.000 0.443 322 P HA -0.063 nan 4.420 nan 0.000 0.265 322 P C -0.809 176.676 177.300 0.309 0.000 1.187 322 P CA 0.533 63.753 63.100 0.200 0.000 0.766 322 P CB 0.450 32.231 31.700 0.134 0.000 0.820 323 M N 1.640 121.398 119.600 0.264 0.000 2.494 323 M HA 0.232 4.712 4.480 0.000 0.000 0.300 323 M C 0.033 176.448 176.300 0.191 0.000 1.189 323 M CA -1.077 54.369 55.300 0.244 0.000 0.982 323 M CB 1.080 33.810 32.600 0.216 0.000 1.534 323 M HN 0.089 nan 8.290 nan 0.000 0.488 324 V N 0.455 120.463 119.914 0.157 0.000 2.694 324 V HA 0.181 4.301 4.120 0.000 0.000 0.306 324 V C 1.071 177.300 176.094 0.224 0.000 1.054 324 V CA 0.139 62.531 62.300 0.154 0.000 1.161 324 V CB -0.571 31.311 31.823 0.098 0.000 0.916 324 V HN 0.984 nan 8.190 nan 0.000 0.490 325 A N 2.769 125.705 122.820 0.193 0.000 2.021 325 A HA 0.140 4.460 4.320 0.000 0.000 0.216 325 A C 0.988 178.757 177.584 0.309 0.000 1.163 325 A CA 0.462 52.642 52.037 0.238 0.000 0.676 325 A CB -0.184 18.908 19.000 0.153 0.000 0.818 325 A HN 0.907 nan 8.150 nan 0.000 0.453 326 E N 0.141 120.424 120.200 0.137 0.000 2.166 326 E HA 0.532 4.882 4.350 0.000 0.000 0.275 326 E C -1.149 175.289 176.600 -0.271 0.000 0.941 326 E CA -0.206 56.185 56.400 -0.015 0.000 0.784 326 E CB 1.661 31.353 29.700 -0.013 0.000 1.115 326 E HN 0.133 nan 8.360 nan 0.000 0.399 327 S N 0.612 115.916 115.700 -0.661 0.000 2.556 327 S HA 0.274 4.744 4.470 0.000 0.000 0.271 327 S C 0.973 175.217 174.600 -0.592 0.000 1.135 327 S CA -0.128 57.593 58.200 -0.798 0.000 0.858 327 S CB 1.334 63.671 63.200 -1.438 0.000 1.114 327 S HN 0.542 nan 8.310 nan 0.000 0.468 328 T N 1.261 115.616 114.554 -0.333 0.000 2.674 328 T HA -0.098 4.252 4.350 0.000 0.000 0.265 328 T C 0.911 175.507 174.700 -0.174 0.000 1.039 328 T CA 1.886 63.882 62.100 -0.173 0.000 1.150 328 T CB -0.447 68.395 68.868 -0.042 0.000 0.864 328 T HN 0.766 nan 8.240 nan 0.000 0.427 329 Q N -1.656 118.033 119.800 -0.185 0.000 1.936 329 Q HA 0.321 4.661 4.340 0.000 0.000 0.196 329 Q C 0.109 176.368 176.000 0.432 0.000 0.792 329 Q CA -0.678 55.213 55.803 0.145 0.000 0.972 329 Q CB -1.203 27.737 28.738 0.336 0.000 1.235 329 Q HN 0.643 nan 8.270 nan 0.000 0.419 330 W N -1.919 119.541 121.300 0.266 0.000 1.839 330 W HA -0.230 4.430 4.660 0.000 0.000 0.248 330 W C -0.740 175.584 176.519 -0.324 0.000 0.999 330 W CA 0.815 58.149 57.345 -0.019 0.000 0.444 330 W CB -1.834 27.605 29.460 -0.034 0.000 2.008 330 W HN 0.404 nan 8.180 nan 0.000 1.324 331 W N 1.291 122.770 121.300 0.297 0.000 2.291 331 W HA 0.512 5.172 4.660 0.000 0.000 0.288 331 W C 0.888 177.630 176.519 0.371 0.000 0.976 331 W CA -0.627 56.868 57.345 0.250 0.000 1.744 331 W CB -0.100 29.523 29.460 0.271 0.000 1.815 331 W HN -0.126 nan 8.180 nan 0.000 0.396 332 E N 0.943 121.350 120.200 0.345 0.000 2.415 332 E HA 0.186 4.536 4.350 0.000 0.000 0.197 332 E C 0.439 177.072 176.600 0.055 0.000 1.007 332 E CA 0.469 57.093 56.400 0.374 0.000 0.890 332 E CB 1.056 30.951 29.700 0.325 0.000 0.891 332 E HN 0.295 nan 8.360 nan 0.000 0.496 333 I N 0.573 121.061 120.570 -0.137 0.000 2.569 333 I HA 0.369 4.539 4.170 0.000 0.000 0.296 333 I C -0.008 175.648 176.117 -0.768 0.000 1.028 333 I CA -0.866 60.074 61.300 -0.599 0.000 1.082 333 I CB 2.166 39.929 38.000 -0.395 0.000 1.264 333 I HN -0.125 nan 8.210 nan 0.000 0.429 334 G N 6.125 114.277 108.800 -1.080 0.000 2.495 334 G HA2 0.803 4.763 3.960 0.000 0.000 0.318 334 G HA3 0.803 4.763 3.960 0.000 0.000 0.318 334 G C -1.151 173.571 174.900 -0.297 0.000 1.257 334 G CA -0.407 44.370 45.100 -0.537 0.000 0.962 334 G HN 0.448 nan 8.290 nan 0.000 0.483 335 I N 0.919 121.245 120.570 -0.407 0.000 2.447 335 I HA 0.403 4.573 4.170 0.000 0.000 0.287 335 I C -1.129 174.755 176.117 -0.389 0.000 1.023 335 I CA -0.508 60.644 61.300 -0.247 0.000 1.083 335 I CB 2.025 39.953 38.000 -0.119 0.000 1.245 335 I HN 0.289 nan 8.210 nan 0.000 0.434 336 F N 3.486 123.477 119.950 0.069 0.000 2.495 336 F HA 0.672 5.199 4.527 0.000 0.000 0.327 336 F C 0.361 176.185 175.800 0.040 0.000 1.103 336 F CA -0.643 57.380 58.000 0.039 0.000 0.949 336 F CB 2.290 41.319 39.000 0.048 0.000 1.142 336 F HN 0.221 nan 8.300 nan 0.000 0.457 337 T N 4.322 119.009 114.554 0.222 0.000 3.295 337 T HA 0.347 4.697 4.350 0.000 0.000 0.331 337 T C -3.021 171.746 174.700 0.110 0.000 1.142 337 T CA -1.393 60.787 62.100 0.133 0.000 1.078 337 T CB 1.726 70.645 68.868 0.086 0.000 1.150 337 T HN 0.208 nan 8.240 nan 0.000 0.465 338 P HA 0.298 nan 4.420 nan 0.000 0.282 338 P C 0.594 177.927 177.300 0.054 0.000 1.249 338 P CA -0.277 62.864 63.100 0.069 0.000 0.806 338 P CB 1.078 32.810 31.700 0.054 0.000 0.984 339 T N -1.782 112.802 114.554 0.049 0.000 3.022 339 T HA 0.189 4.539 4.350 0.000 0.000 0.250 339 T C 0.268 174.987 174.700 0.032 0.000 1.060 339 T CA 0.092 62.213 62.100 0.035 0.000 1.013 339 T CB -0.115 68.765 68.868 0.021 0.000 0.982 339 T HN 0.460 nan 8.240 nan 0.000 0.508 340 E N 0.787 121.010 120.200 0.039 0.000 2.378 340 E HA 0.591 4.941 4.350 0.000 0.000 0.265 340 E C -1.496 175.123 176.600 0.033 0.000 0.932 340 E CA -1.178 55.244 56.400 0.036 0.000 0.795 340 E CB 0.873 30.598 29.700 0.042 0.000 1.296 340 E HN -0.020 nan 8.360 nan 0.000 0.438 341 D N -0.348 120.068 120.400 0.027 0.000 2.354 341 D HA 0.383 5.023 4.640 0.000 0.000 0.247 341 D C 0.627 176.939 176.300 0.020 0.000 1.138 341 D CA 0.932 54.946 54.000 0.022 0.000 0.958 341 D CB 1.025 41.836 40.800 0.018 0.000 1.144 341 D HN 0.702 nan 8.370 nan 0.000 0.458 342 G N 0.343 109.152 108.800 0.015 0.000 2.198 342 G HA2 -0.218 3.742 3.960 0.000 0.000 0.257 342 G HA3 -0.218 3.742 3.960 0.000 0.000 0.257 342 G C -0.317 174.587 174.900 0.008 0.000 1.042 342 G CA -0.130 44.977 45.100 0.010 0.000 0.791 342 G HN 0.330 nan 8.290 nan 0.000 0.502 343 L N 0.444 121.672 121.223 0.008 0.000 2.305 343 L HA 0.404 4.744 4.340 0.000 0.000 0.284 343 L C 1.180 178.044 176.870 -0.009 0.000 1.013 343 L CA -0.608 54.232 54.840 0.001 0.000 0.819 343 L CB 1.510 43.576 42.059 0.011 0.000 1.227 343 L HN 0.263 nan 8.230 nan 0.000 0.417 344 D N 1.268 121.655 120.400 -0.021 0.000 2.348 344 D HA -0.074 4.566 4.640 0.000 0.000 0.216 344 D C 0.443 176.722 176.300 -0.036 0.000 0.970 344 D CA 0.779 54.764 54.000 -0.025 0.000 0.889 344 D CB 0.283 41.069 40.800 -0.024 0.000 0.912 344 D HN 0.349 nan 8.370 nan 0.000 0.524 345 R N -0.184 120.287 120.500 -0.047 0.000 2.725 345 R HA 0.462 4.803 4.340 0.000 0.000 0.277 345 R C -2.647 173.637 176.300 -0.027 0.000 0.987 345 R CA -2.038 54.027 56.100 -0.057 0.000 0.901 345 R CB 2.235 32.495 30.300 -0.066 0.000 1.207 345 R HN -0.032 nan 8.270 nan 0.000 0.463 346 P HA -0.012 nan 4.420 nan 0.000 0.269 346 P C -0.544 176.822 177.300 0.110 0.000 1.209 346 P CA 0.057 63.198 63.100 0.068 0.000 0.776 346 P CB 0.719 32.509 31.700 0.151 0.000 0.876 347 D N 1.408 121.882 120.400 0.123 0.000 2.339 347 D HA 0.121 4.762 4.640 0.000 0.000 0.217 347 D C 0.162 176.557 176.300 0.159 0.000 1.050 347 D CA 0.069 54.169 54.000 0.166 0.000 0.856 347 D CB -0.213 40.688 40.800 0.168 0.000 0.922 347 D HN 0.193 nan 8.370 nan 0.000 0.518 348 L N -0.291 121.018 121.223 0.144 0.000 2.549 348 L HA 0.541 4.882 4.340 0.000 0.000 0.259 348 L C -2.042 174.892 176.870 0.107 0.000 0.934 348 L CA -0.643 54.259 54.840 0.103 0.000 0.865 348 L CB 2.272 44.377 42.059 0.078 0.000 1.352 348 L HN 0.020 nan 8.230 nan 0.000 0.410 349 M N 5.041 124.648 119.600 0.011 0.000 2.433 349 M HA 0.679 5.159 4.480 0.000 0.000 0.290 349 M C -2.020 174.189 176.300 -0.151 0.000 1.173 349 M CA -0.474 54.729 55.300 -0.162 0.000 0.905 349 M CB 2.262 34.706 32.600 -0.261 0.000 1.692 349 M HN 0.767 nan 8.290 nan 0.000 0.462 350 M N 2.657 122.136 119.600 -0.201 0.000 2.465 350 M HA 0.468 4.948 4.480 0.000 0.000 0.316 350 M C -1.366 174.870 176.300 -0.106 0.000 1.121 350 M CA -0.658 54.608 55.300 -0.056 0.000 0.934 350 M CB 2.213 34.840 32.600 0.045 0.000 1.692 350 M HN 0.675 nan 8.290 nan 0.000 0.444 351 H N 0.053 119.217 119.070 0.157 0.000 2.496 351 H HA 0.439 4.995 4.556 0.000 0.000 0.342 351 H C -1.595 173.964 175.328 0.385 0.000 1.170 351 H CA -0.184 56.050 56.048 0.311 0.000 1.274 351 H CB 1.177 31.189 29.762 0.417 0.000 1.538 351 H HN 0.564 nan 8.280 nan 0.000 0.542 352 Y N 0.811 121.325 120.300 0.357 0.000 2.328 352 Y HA 0.529 5.079 4.550 0.000 0.000 0.336 352 Y C -0.401 175.568 175.900 0.116 0.000 0.960 352 Y CA -1.187 57.031 58.100 0.197 0.000 1.134 352 Y CB 0.939 39.392 38.460 -0.013 0.000 1.166 352 Y HN 0.728 nan 8.280 nan 0.000 0.464 353 G N 2.658 111.015 108.800 -0.739 0.000 2.372 353 G HA2 0.363 4.323 3.960 0.000 0.000 0.323 353 G HA3 0.363 4.323 3.960 0.000 0.000 0.323 353 G C 0.058 174.291 174.900 -1.111 0.000 1.152 353 G CA -0.442 43.716 45.100 -1.570 0.000 0.906 353 G HN 0.861 nan 8.290 nan 0.000 0.460 354 S N 0.210 115.363 115.700 -0.913 0.000 2.720 354 S HA 0.158 4.628 4.470 0.000 0.000 0.222 354 S C 0.794 175.331 174.600 -0.106 0.000 0.958 354 S CA 0.322 58.309 58.200 -0.355 0.000 0.943 354 S CB -0.698 62.413 63.200 -0.148 0.000 0.779 354 S HN 1.084 nan 8.310 nan 0.000 0.526 355 V N -2.852 116.909 119.914 -0.255 0.000 2.960 355 V HA 0.750 4.870 4.120 0.000 0.000 0.315 355 V C -3.028 173.042 176.094 -0.040 0.000 1.087 355 V CA -3.110 59.116 62.300 -0.124 0.000 0.982 355 V CB 1.690 33.409 31.823 -0.173 0.000 1.039 355 V HN -0.061 nan 8.190 nan 0.000 0.437 356 P HA 0.305 nan 4.420 nan 0.000 0.274 356 P C -1.274 176.162 177.300 0.226 0.000 1.231 356 P CA 0.049 63.204 63.100 0.092 0.000 0.790 356 P CB 0.734 32.460 31.700 0.043 0.000 0.951 357 F N 2.648 122.649 119.950 0.086 0.000 2.686 357 F HA 0.200 4.727 4.527 0.000 0.000 0.365 357 F C -0.029 175.811 175.800 0.067 0.000 1.196 357 F CA -0.835 57.254 58.000 0.149 0.000 1.198 357 F CB 0.245 39.449 39.000 0.340 0.000 1.454 357 F HN 0.115 nan 8.300 nan 0.000 0.539 358 D N 2.250 122.531 120.400 -0.198 0.000 2.427 358 D HA 0.010 4.650 4.640 0.000 0.000 0.224 358 D C 1.934 178.064 176.300 -0.283 0.000 1.157 358 D CA 0.068 53.965 54.000 -0.172 0.000 0.828 358 D CB -0.084 40.665 40.800 -0.086 0.000 0.974 358 D HN 0.545 nan 8.370 nan 0.000 0.498 359 M N 0.433 119.704 119.600 -0.548 0.000 2.082 359 M HA -0.172 4.308 4.480 0.000 0.000 0.258 359 M C 0.664 176.799 176.300 -0.275 0.000 1.069 359 M CA 1.558 56.576 55.300 -0.469 0.000 1.102 359 M CB 0.062 32.241 32.600 -0.702 0.000 1.336 359 M HN 0.011 nan 8.290 nan 0.000 0.404 360 N N -1.079 117.481 118.700 -0.233 0.000 2.236 360 N HA 0.041 4.782 4.740 0.000 0.000 0.196 360 N C 1.190 176.659 175.510 -0.069 0.000 1.114 360 N CA 1.124 54.084 53.050 -0.149 0.000 0.859 360 N CB 0.499 38.900 38.487 -0.143 0.000 0.982 360 N HN 0.566 nan 8.380 nan 0.000 0.493 361 T N -1.790 112.725 114.554 -0.064 0.000 3.042 361 T HA 0.080 4.430 4.350 0.000 0.000 0.245 361 T C 1.958 176.746 174.700 0.147 0.000 1.029 361 T CA -0.103 62.033 62.100 0.060 0.000 1.120 361 T CB -0.213 68.631 68.868 -0.041 0.000 0.917 361 T HN -0.102 nan 8.240 nan 0.000 0.467 362 L N 2.842 124.069 121.223 0.007 0.000 2.010 362 L HA -0.141 4.199 4.340 0.000 0.000 0.219 362 L C 2.772 179.595 176.870 -0.078 0.000 1.077 362 L CA 2.419 57.243 54.840 -0.027 0.000 0.773 362 L CB -0.549 41.461 42.059 -0.082 0.000 0.892 362 L HN 0.466 nan 8.230 nan 0.000 0.436 363 R N -2.113 118.265 120.500 -0.205 0.000 2.357 363 R HA -0.134 4.206 4.340 0.000 0.000 0.202 363 R C 0.933 176.981 176.300 -0.419 0.000 1.047 363 R CA 1.650 57.526 56.100 -0.373 0.000 1.034 363 R CB -0.766 29.146 30.300 -0.646 0.000 0.875 363 R HN 0.546 nan 8.270 nan 0.000 0.473 364 H N -0.808 118.240 119.070 -0.038 0.000 2.594 364 H HA 0.270 4.826 4.556 0.000 0.000 0.279 364 H C 0.804 176.086 175.328 -0.078 0.000 1.042 364 H CA 0.327 56.380 56.048 0.009 0.000 1.177 364 H CB 1.510 31.365 29.762 0.155 0.000 1.524 364 H HN 0.503 nan 8.280 nan 0.000 0.537 365 G N 0.031 108.828 108.800 -0.006 0.000 2.175 365 G HA2 -0.312 3.648 3.960 0.000 0.000 0.244 365 G HA3 -0.312 3.648 3.960 0.000 0.000 0.244 365 G C -0.360 174.433 174.900 -0.178 0.000 0.982 365 G CA -0.393 44.638 45.100 -0.114 0.000 0.641 365 G HN 0.322 nan 8.290 nan 0.000 0.527 366 Y N 2.181 122.493 120.300 0.021 0.000 2.511 366 Y HA 0.401 4.952 4.550 0.000 0.000 0.332 366 Y C -0.924 174.968 175.900 -0.013 0.000 1.177 366 Y CA -1.151 56.955 58.100 0.009 0.000 1.422 366 Y CB 0.410 38.891 38.460 0.035 0.000 1.271 366 Y HN 0.074 nan 8.280 nan 0.000 0.550 367 P HA 0.120 nan 4.420 nan 0.000 0.274 367 P C -0.470 176.861 177.300 0.051 0.000 1.231 367 P CA -0.373 62.756 63.100 0.048 0.000 0.790 367 P CB 1.171 32.888 31.700 0.027 0.000 0.951 368 T N -2.230 112.339 114.554 0.025 0.000 2.940 368 T HA 0.674 5.024 4.350 0.000 0.000 0.288 368 T C -0.424 174.284 174.700 0.013 0.000 1.045 368 T CA -0.703 61.406 62.100 0.015 0.000 1.018 368 T CB 1.637 70.505 68.868 -0.001 0.000 1.151 368 T HN 0.509 nan 8.240 nan 0.000 0.529 369 T N -0.880 113.681 114.554 0.012 0.000 2.894 369 T HA 0.379 4.729 4.350 0.000 0.000 0.309 369 T C -0.065 174.644 174.700 0.016 0.000 1.208 369 T CA -0.588 61.525 62.100 0.021 0.000 1.016 369 T CB 2.024 70.915 68.868 0.039 0.000 1.192 369 T HN 0.713 nan 8.240 nan 0.000 0.491 370 E N 1.597 121.808 120.200 0.019 0.000 2.479 370 E HA 0.095 4.445 4.350 0.000 0.000 0.193 370 E C -0.225 176.396 176.600 0.035 0.000 1.049 370 E CA 0.078 56.485 56.400 0.012 0.000 0.870 370 E CB 0.274 29.977 29.700 0.004 0.000 0.944 370 E HN 0.362 nan 8.360 nan 0.000 0.492 371 N N 0.174 118.912 118.700 0.063 0.000 2.664 371 N HA 0.306 5.046 4.740 0.000 0.000 0.257 371 N C -0.958 174.646 175.510 0.156 0.000 1.108 371 N CA -0.181 52.935 53.050 0.110 0.000 0.822 371 N CB 1.332 39.890 38.487 0.119 0.000 1.199 371 N HN 0.075 nan 8.380 nan 0.000 0.529 372 G N 0.708 109.613 108.800 0.176 0.000 2.554 372 G HA2 0.540 4.500 3.960 0.000 0.000 0.306 372 G HA3 0.540 4.500 3.960 0.000 0.000 0.306 372 G C -1.671 173.415 174.900 0.310 0.000 1.320 372 G CA -0.782 44.457 45.100 0.232 0.000 0.800 372 G HN 0.313 nan 8.290 nan 0.000 0.481 373 F N -1.419 118.632 119.950 0.168 0.000 2.664 373 F HA 0.916 5.443 4.527 0.000 0.000 0.329 373 F C -0.260 175.654 175.800 0.189 0.000 1.090 373 F CA -1.274 56.802 58.000 0.127 0.000 0.978 373 F CB 1.861 41.022 39.000 0.269 0.000 1.378 373 F HN 0.492 nan 8.300 nan 0.000 0.495 374 S N 0.979 116.834 115.700 0.259 0.000 2.549 374 S HA 0.717 5.187 4.470 0.000 0.000 0.280 374 S C -1.343 173.494 174.600 0.395 0.000 1.109 374 S CA -0.759 57.580 58.200 0.231 0.000 0.905 374 S CB 1.923 65.266 63.200 0.239 0.000 1.081 374 S HN 0.629 nan 8.310 nan 0.000 0.477 375 L N 2.537 123.981 121.223 0.368 0.000 2.343 375 L HA 0.512 4.852 4.340 0.000 0.000 0.278 375 L C -0.233 176.816 176.870 0.298 0.000 0.996 375 L CA -0.537 54.529 54.840 0.378 0.000 0.831 375 L CB 1.864 44.146 42.059 0.371 0.000 1.232 375 L HN 0.820 nan 8.230 nan 0.000 0.413 376 T N 0.271 115.017 114.554 0.320 0.000 3.149 376 T HA 0.382 4.733 4.350 0.000 0.000 0.373 376 T C -2.485 172.321 174.700 0.176 0.000 1.364 376 T CA -2.131 60.106 62.100 0.228 0.000 1.110 376 T CB 0.486 69.454 68.868 0.168 0.000 1.127 376 T HN 0.181 nan 8.240 nan 0.000 0.576 377 P HA 0.167 nan 4.420 nan 0.000 0.266 377 P C -0.615 176.734 177.300 0.081 0.000 1.195 377 P CA -0.061 63.096 63.100 0.095 0.000 0.768 377 P CB 0.506 32.262 31.700 0.094 0.000 0.838 378 N N 0.334 119.065 118.700 0.052 0.000 2.284 378 N HA 0.355 5.095 4.740 0.000 0.000 0.289 378 N C -1.508 174.024 175.510 0.037 0.000 1.179 378 N CA -1.062 52.012 53.050 0.039 0.000 0.774 378 N CB 1.198 39.689 38.487 0.006 0.000 1.548 378 N HN -0.044 nan 8.380 nan 0.000 0.473 379 V N 1.780 121.737 119.914 0.072 0.000 2.372 379 V HA 0.158 4.278 4.120 0.000 0.000 0.261 379 V C 1.608 177.766 176.094 0.107 0.000 1.055 379 V CA -0.000 62.373 62.300 0.123 0.000 0.930 379 V CB -0.120 31.806 31.823 0.171 0.000 1.031 379 V HN 1.031 nan 8.190 nan 0.000 0.479 380 T N 0.793 115.393 114.554 0.076 0.000 2.915 380 T HA -0.138 4.212 4.350 0.000 0.000 0.269 380 T C 0.690 175.421 174.700 0.052 0.000 1.071 380 T CA 1.125 63.199 62.100 -0.044 0.000 1.132 380 T CB -0.252 68.674 68.868 0.096 0.000 0.878 380 T HN 0.682 nan 8.240 nan 0.000 0.479 381 H N 0.950 120.121 119.070 0.168 0.000 2.429 381 H HA 0.694 5.250 4.556 0.000 0.000 0.231 381 H C -0.096 175.307 175.328 0.125 0.000 1.416 381 H CA -0.511 55.630 56.048 0.155 0.000 1.443 381 H CB 0.209 30.037 29.762 0.109 0.000 1.591 381 H HN 0.511 nan 8.280 nan 0.000 0.507 382 A N 1.300 124.239 122.820 0.197 0.000 2.477 382 A HA 0.153 4.473 4.320 0.000 0.000 0.246 382 A C 1.114 178.734 177.584 0.060 0.000 1.078 382 A CA -0.293 51.836 52.037 0.154 0.000 0.770 382 A CB 0.439 19.503 19.000 0.107 0.000 1.011 382 A HN 0.796 nan 8.150 nan 0.000 0.494 383 R N 1.765 122.280 120.500 0.025 0.000 2.280 383 R HA 0.079 4.419 4.340 0.000 0.000 0.195 383 R C 0.288 176.589 176.300 0.002 0.000 0.935 383 R CA 0.147 56.238 56.100 -0.015 0.000 1.033 383 R CB -0.070 30.194 30.300 -0.060 0.000 0.964 383 R HN 0.626 nan 8.270 nan 0.000 0.489 384 S N 1.544 117.246 115.700 0.005 0.000 2.558 384 S HA 0.105 4.575 4.470 0.000 0.000 0.288 384 S C 0.234 174.798 174.600 -0.060 0.000 1.318 384 S CA 0.193 58.372 58.200 -0.033 0.000 1.056 384 S CB 0.530 63.684 63.200 -0.078 0.000 0.853 384 S HN 0.112 nan 8.310 nan 0.000 0.505 385 R N 0.940 121.396 120.500 -0.073 0.000 2.686 385 R HA 0.694 5.034 4.340 0.000 0.000 0.283 385 R C 0.315 176.539 176.300 -0.127 0.000 0.978 385 R CA -0.569 55.481 56.100 -0.083 0.000 0.897 385 R CB 1.639 31.917 30.300 -0.037 0.000 1.192 385 R HN 0.779 nan 8.270 nan 0.000 0.457 386 G N -0.260 108.444 108.800 -0.160 0.000 3.176 386 G HA2 0.673 4.633 3.960 0.000 0.000 0.272 386 G HA3 0.673 4.633 3.960 0.000 0.000 0.272 386 G C -1.026 173.757 174.900 -0.196 0.000 1.349 386 G CA -0.362 44.623 45.100 -0.192 0.000 0.953 386 G HN 0.539 nan 8.290 nan 0.000 0.559 387 T N -3.339 111.096 114.554 -0.198 0.000 2.883 387 T HA 0.659 5.009 4.350 0.000 0.000 0.301 387 T C -1.406 173.171 174.700 -0.204 0.000 1.158 387 T CA -0.671 61.303 62.100 -0.210 0.000 1.007 387 T CB 1.846 70.591 68.868 -0.205 0.000 1.186 387 T HN 0.723 nan 8.240 nan 0.000 0.499 388 V N 1.662 121.447 119.914 -0.214 0.000 2.483 388 V HA 0.677 4.798 4.120 0.000 0.000 0.297 388 V C -0.176 175.803 176.094 -0.193 0.000 1.027 388 V CA -0.775 61.403 62.300 -0.203 0.000 0.855 388 V CB 1.538 33.228 31.823 -0.222 0.000 0.995 388 V HN 0.891 nan 8.190 nan 0.000 0.424 389 R N 3.120 123.522 120.500 -0.163 0.000 2.854 389 R HA 0.704 5.044 4.340 0.000 0.000 0.271 389 R C -1.104 175.210 176.300 0.024 0.000 0.994 389 R CA -0.956 55.060 56.100 -0.141 0.000 0.945 389 R CB 2.215 32.343 30.300 -0.286 0.000 1.194 389 R HN 0.559 nan 8.270 nan 0.000 0.476 390 L N 2.086 123.468 121.223 0.265 0.000 2.426 390 L HA 0.211 4.551 4.340 0.000 0.000 0.271 390 L C 1.803 178.602 176.870 -0.118 0.000 1.169 390 L CA 0.226 55.049 54.840 -0.028 0.000 0.836 390 L CB 0.627 42.539 42.059 -0.245 0.000 1.112 390 L HN 0.614 nan 8.230 nan 0.000 0.465 391 R N 1.017 121.435 120.500 -0.137 0.000 2.062 391 R HA -0.037 4.304 4.340 0.000 0.000 0.226 391 R C 0.709 176.891 176.300 -0.197 0.000 1.125 391 R CA 1.235 57.284 56.100 -0.086 0.000 0.966 391 R CB 0.336 30.615 30.300 -0.036 0.000 0.861 391 R HN 0.906 nan 8.270 nan 0.000 0.433 392 S N -1.766 113.748 115.700 -0.310 0.000 2.929 392 S HA 0.167 4.637 4.470 0.000 0.000 0.311 392 S C -0.037 174.399 174.600 -0.273 0.000 1.213 392 S CA -0.954 57.086 58.200 -0.266 0.000 0.908 392 S CB 0.792 63.953 63.200 -0.064 0.000 1.287 392 S HN 0.357 nan 8.310 nan 0.000 0.594 393 R N 0.181 120.618 120.500 -0.105 0.000 2.388 393 R HA 0.335 4.675 4.340 0.000 0.000 0.247 393 R C -0.623 175.663 176.300 -0.023 0.000 0.931 393 R CA -0.111 55.952 56.100 -0.061 0.000 1.082 393 R CB -0.388 29.909 30.300 -0.006 0.000 1.135 393 R HN 0.501 nan 8.270 nan 0.000 0.525 394 D N 1.050 121.422 120.400 -0.048 0.000 2.303 394 D HA 0.015 4.655 4.640 0.000 0.000 0.236 394 D C 0.742 176.991 176.300 -0.085 0.000 1.068 394 D CA -1.240 52.722 54.000 -0.063 0.000 0.830 394 D CB 0.840 41.562 40.800 -0.130 0.000 1.109 394 D HN 0.182 nan 8.370 nan 0.000 0.496 395 F N 2.908 122.830 119.950 -0.048 0.000 2.408 395 F HA 0.040 4.567 4.527 0.000 0.000 0.300 395 F C 1.402 177.204 175.800 0.003 0.000 1.090 395 F CA 0.389 58.370 58.000 -0.031 0.000 1.427 395 F CB -0.180 38.806 39.000 -0.024 0.000 1.070 395 F HN 0.178 nan 8.300 nan 0.000 0.549 396 R N 0.301 120.420 120.500 -0.636 0.000 2.246 396 R HA 0.056 4.397 4.340 0.000 0.000 0.199 396 R C -0.255 175.956 176.300 -0.149 0.000 0.984 396 R CA 0.331 56.159 56.100 -0.454 0.000 1.015 396 R CB -0.476 29.491 30.300 -0.555 0.000 0.930 396 R HN 0.192 nan 8.270 nan 0.000 0.475 397 D N 1.689 122.019 120.400 -0.118 0.000 2.351 397 D HA 0.052 4.692 4.640 0.000 0.000 0.251 397 D C -0.302 176.016 176.300 0.030 0.000 1.137 397 D CA 0.131 54.108 54.000 -0.039 0.000 0.879 397 D CB 0.814 41.583 40.800 -0.052 0.000 1.181 397 D HN -0.092 nan 8.370 nan 0.000 0.448 398 K N 3.766 124.221 120.400 0.091 0.000 2.451 398 K HA 0.110 4.430 4.320 0.000 0.000 0.280 398 K C -2.003 174.654 176.600 0.095 0.000 1.020 398 K CA -0.995 55.409 56.287 0.195 0.000 1.008 398 K CB 0.295 32.965 32.500 0.283 0.000 0.917 398 K HN 0.287 nan 8.250 nan 0.000 0.478 399 P HA -0.080 nan 4.420 nan 0.000 0.270 399 P C -0.684 176.588 177.300 -0.046 0.000 1.223 399 P CA 0.250 63.308 63.100 -0.069 0.000 0.785 399 P CB 0.561 32.141 31.700 -0.199 0.000 0.923 400 M N 1.328 120.897 119.600 -0.050 0.000 2.084 400 M HA 0.241 4.721 4.480 0.000 0.000 0.351 400 M C -0.374 175.880 176.300 -0.076 0.000 1.240 400 M CA -0.499 54.781 55.300 -0.033 0.000 1.083 400 M CB 0.868 33.458 32.600 -0.017 0.000 1.593 400 M HN 0.015 nan 8.290 nan 0.000 0.463 401 V N 2.777 122.660 119.914 -0.052 0.000 2.347 401 V HA 0.272 4.392 4.120 0.000 0.000 0.280 401 V C -0.701 175.365 176.094 -0.046 0.000 1.021 401 V CA -0.390 61.862 62.300 -0.080 0.000 0.847 401 V CB 1.515 33.303 31.823 -0.058 0.000 0.990 401 V HN 0.708 nan 8.190 nan 0.000 0.444 402 D N 6.749 127.089 120.400 -0.100 0.000 2.375 402 D HA 0.435 5.075 4.640 0.000 0.000 0.259 402 D C -2.054 174.132 176.300 -0.191 0.000 1.235 402 D CA -1.857 52.081 54.000 -0.102 0.000 0.924 402 D CB 2.345 43.095 40.800 -0.083 0.000 1.143 402 D HN 0.191 nan 8.370 nan 0.000 0.529 403 P HA 0.026 nan 4.420 nan 0.000 0.233 403 P C -0.257 176.717 177.300 -0.543 0.000 1.167 403 P CA 0.157 62.943 63.100 -0.524 0.000 0.770 403 P CB 0.227 31.353 31.700 -0.958 0.000 0.837 404 R N -2.692 117.581 120.500 -0.378 0.000 3.422 404 R HA -0.189 4.151 4.340 0.000 0.000 0.267 404 R C -0.594 175.606 176.300 -0.167 0.000 1.074 404 R CA 0.232 56.217 56.100 -0.191 0.000 0.718 404 R CB -3.184 27.036 30.300 -0.133 0.000 1.157 404 R HN 0.354 nan 8.270 nan 0.000 0.440 405 Y N 0.806 121.064 120.300 -0.069 0.000 2.904 405 Y HA -0.152 4.398 4.550 0.000 0.000 0.336 405 Y C 1.404 177.250 175.900 -0.090 0.000 1.263 405 Y CA 0.825 58.763 58.100 -0.269 0.000 1.547 405 Y CB 0.068 38.330 38.460 -0.331 0.000 1.272 405 Y HN 0.183 nan 8.280 nan 0.000 0.596 406 F N 0.556 120.589 119.950 0.138 0.000 3.039 406 F HA -0.272 4.255 4.527 0.000 0.000 0.287 406 F C 0.932 176.774 175.800 0.070 0.000 0.956 406 F CA 1.048 59.096 58.000 0.080 0.000 0.971 406 F CB -2.186 36.838 39.000 0.041 0.000 0.943 406 F HN 0.625 nan 8.300 nan 0.000 0.766 407 T N -4.233 110.413 114.554 0.152 0.000 3.058 407 T HA 0.127 4.477 4.350 0.000 0.000 0.278 407 T C 0.260 175.007 174.700 0.078 0.000 0.974 407 T CA 0.061 62.224 62.100 0.105 0.000 0.893 407 T CB 0.137 69.041 68.868 0.060 0.000 1.138 407 T HN 0.377 nan 8.240 nan 0.000 0.529 408 D N 2.981 123.432 120.400 0.085 0.000 2.472 408 D HA 0.050 4.691 4.640 0.000 0.000 0.237 408 D C -1.388 174.963 176.300 0.084 0.000 1.141 408 D CA -1.176 52.869 54.000 0.075 0.000 0.875 408 D CB 1.021 41.872 40.800 0.085 0.000 1.192 408 D HN 0.095 nan 8.370 nan 0.000 0.450 409 P HA -0.193 nan 4.420 nan 0.000 0.217 409 P C 0.596 177.939 177.300 0.071 0.000 1.148 409 P CA 1.321 64.457 63.100 0.059 0.000 0.828 409 P CB 0.149 31.875 31.700 0.045 0.000 0.783 410 E N -1.088 119.164 120.200 0.087 0.000 2.489 410 E HA 0.246 4.596 4.350 0.000 0.000 0.193 410 E C 1.164 177.835 176.600 0.118 0.000 1.057 410 E CA 0.305 56.764 56.400 0.097 0.000 0.866 410 E CB -0.552 29.212 29.700 0.106 0.000 0.916 410 E HN 0.178 nan 8.360 nan 0.000 0.500 411 G N 1.972 110.849 108.800 0.129 0.000 2.283 411 G HA2 -0.399 3.561 3.960 0.000 0.000 0.280 411 G HA3 -0.399 3.561 3.960 0.000 0.000 0.280 411 G C 0.499 175.497 174.900 0.164 0.000 1.029 411 G CA 1.109 46.291 45.100 0.137 0.000 0.840 411 G HN 0.614 nan 8.290 nan 0.000 0.505 412 H N -0.191 118.941 119.070 0.104 0.000 2.326 412 H HA -0.028 4.528 4.556 0.000 0.000 0.301 412 H C 2.219 177.631 175.328 0.140 0.000 1.081 412 H CA 2.106 58.217 56.048 0.106 0.000 1.334 412 H CB 0.208 30.027 29.762 0.094 0.000 1.385 412 H HN 0.375 nan 8.280 nan 0.000 0.504 413 D N 0.079 120.671 120.400 0.320 0.000 2.149 413 D HA -0.135 4.505 4.640 0.000 0.000 0.201 413 D C 2.173 178.685 176.300 0.355 0.000 0.972 413 D CA 0.962 55.155 54.000 0.321 0.000 0.835 413 D CB -0.358 40.596 40.800 0.257 0.000 0.966 413 D HN 0.383 nan 8.370 nan 0.000 0.476 414 M N 1.024 120.844 119.600 0.366 0.000 2.067 414 M HA -0.106 4.374 4.480 0.000 0.000 0.260 414 M C 1.992 178.311 176.300 0.033 0.000 1.069 414 M CA 1.538 56.910 55.300 0.120 0.000 1.117 414 M CB -0.144 32.478 32.600 0.036 0.000 1.334 414 M HN -0.207 nan 8.290 nan 0.000 0.407 415 R N -1.140 119.370 120.500 0.017 0.000 2.096 415 R HA -0.160 4.180 4.340 0.000 0.000 0.240 415 R C 2.072 178.341 176.300 -0.052 0.000 1.139 415 R CA 1.924 58.007 56.100 -0.027 0.000 0.952 415 R CB -1.054 29.219 30.300 -0.046 0.000 0.854 415 R HN 0.312 nan 8.270 nan 0.000 0.436 416 V N 0.760 120.607 119.914 -0.110 0.000 2.343 416 V HA -0.265 3.855 4.120 0.000 0.000 0.247 416 V C 2.195 178.293 176.094 0.007 0.000 1.051 416 V CA 1.853 64.102 62.300 -0.086 0.000 1.036 416 V CB -0.326 31.407 31.823 -0.149 0.000 0.654 416 V HN 0.317 nan 8.190 nan 0.000 0.451 417 M N -0.426 119.204 119.600 0.050 0.000 2.236 417 M HA -0.035 4.445 4.480 0.000 0.000 0.266 417 M C 1.944 178.265 176.300 0.035 0.000 1.070 417 M CA 1.604 56.948 55.300 0.072 0.000 1.137 417 M CB -0.354 32.319 32.600 0.122 0.000 1.378 417 M HN 0.097 nan 8.290 nan 0.000 0.426 418 V N 0.721 120.639 119.914 0.007 0.000 2.287 418 V HA -0.286 3.835 4.120 0.000 0.000 0.248 418 V C 2.582 178.687 176.094 0.018 0.000 1.053 418 V CA 1.978 64.281 62.300 0.006 0.000 1.027 418 V CB -1.718 30.101 31.823 -0.007 0.000 0.646 418 V HN 0.634 nan 8.190 nan 0.000 0.447 419 A N 0.344 123.173 122.820 0.014 0.000 1.978 419 A HA -0.114 4.206 4.320 0.000 0.000 0.220 419 A C 2.389 179.994 177.584 0.036 0.000 1.170 419 A CA 1.963 54.012 52.037 0.021 0.000 0.636 419 A CB -1.127 17.881 19.000 0.012 0.000 0.810 419 A HN 0.556 nan 8.150 nan 0.000 0.448 420 G N -0.002 108.824 108.800 0.044 0.000 2.402 420 G HA2 -0.158 3.802 3.960 0.000 0.000 0.216 420 G HA3 -0.158 3.802 3.960 0.000 0.000 0.216 420 G C 1.517 176.460 174.900 0.071 0.000 1.162 420 G CA 1.047 46.182 45.100 0.059 0.000 0.777 420 G HN 0.484 nan 8.290 nan 0.000 0.539 421 I N 0.274 120.883 120.570 0.066 0.000 2.179 421 I HA -0.184 3.986 4.170 0.000 0.000 0.242 421 I C 3.041 179.195 176.117 0.061 0.000 1.088 421 I CA 1.031 62.370 61.300 0.065 0.000 1.357 421 I CB -0.233 37.797 38.000 0.050 0.000 1.051 421 I HN 0.097 nan 8.210 nan 0.000 0.409 422 R N 0.638 121.166 120.500 0.047 0.000 2.105 422 R HA -0.225 4.115 4.340 0.000 0.000 0.239 422 R C 2.299 178.635 176.300 0.059 0.000 1.135 422 R CA 1.384 57.512 56.100 0.046 0.000 0.967 422 R CB -0.366 29.953 30.300 0.033 0.000 0.861 422 R HN 0.157 nan 8.270 nan 0.000 0.442 423 K N 0.961 121.397 120.400 0.060 0.000 2.103 423 K HA -0.000 4.320 4.320 0.000 0.000 0.204 423 K C 1.881 178.530 176.600 0.082 0.000 1.052 423 K CA 1.412 57.735 56.287 0.061 0.000 0.945 423 K CB -0.284 32.248 32.500 0.054 0.000 0.722 423 K HN 0.124 nan 8.250 nan 0.000 0.443 424 A N 1.067 123.951 122.820 0.108 0.000 1.865 424 A HA -0.200 4.121 4.320 0.000 0.000 0.217 424 A C 2.173 179.878 177.584 0.202 0.000 1.191 424 A CA 1.915 54.049 52.037 0.162 0.000 0.623 424 A CB -0.610 18.505 19.000 0.192 0.000 0.826 424 A HN 0.367 nan 8.150 nan 0.000 0.444 425 R N -0.704 119.917 120.500 0.201 0.000 2.094 425 R HA -0.218 4.122 4.340 0.000 0.000 0.239 425 R C 2.388 178.765 176.300 0.127 0.000 1.137 425 R CA 1.811 58.042 56.100 0.218 0.000 0.943 425 R CB -0.441 29.953 30.300 0.156 0.000 0.850 425 R HN 0.820 nan 8.270 nan 0.000 0.433 426 E N 0.815 121.068 120.200 0.087 0.000 2.070 426 E HA -0.239 4.111 4.350 0.000 0.000 0.197 426 E C 1.908 178.530 176.600 0.038 0.000 1.004 426 E CA 1.588 58.020 56.400 0.054 0.000 0.805 426 E CB -0.087 29.639 29.700 0.043 0.000 0.744 426 E HN 0.320 nan 8.360 nan 0.000 0.451 427 I N 1.086 121.681 120.570 0.042 0.000 2.133 427 I HA -0.243 3.927 4.170 0.000 0.000 0.238 427 I C 2.692 178.801 176.117 -0.012 0.000 1.074 427 I CA 1.084 62.390 61.300 0.010 0.000 1.342 427 I CB -0.482 37.523 38.000 0.008 0.000 1.053 427 I HN 0.171 nan 8.210 nan 0.000 0.404 428 A N 0.787 123.609 122.820 0.002 0.000 2.009 428 A HA -0.277 4.043 4.320 0.000 0.000 0.222 428 A C 2.394 179.917 177.584 -0.102 0.000 1.175 428 A CA 2.260 54.237 52.037 -0.101 0.000 0.651 428 A CB -0.910 17.915 19.000 -0.292 0.000 0.815 428 A HN 0.502 nan 8.150 nan 0.000 0.459 429 A N -1.464 121.336 122.820 -0.034 0.000 2.169 429 A HA 0.125 4.445 4.320 0.000 0.000 0.212 429 A C 1.109 178.686 177.584 -0.012 0.000 1.153 429 A CA 0.128 52.156 52.037 -0.015 0.000 0.756 429 A CB -0.152 18.860 19.000 0.019 0.000 0.813 429 A HN 0.525 nan 8.150 nan 0.000 0.471 430 Q N -0.214 119.577 119.800 -0.016 0.000 2.428 430 Q HA 0.060 4.401 4.340 0.000 0.000 0.276 430 Q C -1.621 174.371 176.000 -0.013 0.000 1.059 430 Q CA -1.430 54.364 55.803 -0.014 0.000 0.923 430 Q CB -0.152 28.572 28.738 -0.022 0.000 1.283 430 Q HN 0.135 nan 8.270 nan 0.000 0.447 431 P HA -0.128 nan 4.420 nan 0.000 0.218 431 P C 0.613 177.911 177.300 -0.003 0.000 1.148 431 P CA 1.854 64.950 63.100 -0.007 0.000 0.822 431 P CB 0.159 31.855 31.700 -0.007 0.000 0.784 432 A N -1.491 121.326 122.820 -0.004 0.000 2.168 432 A HA -0.043 4.277 4.320 0.000 0.000 0.215 432 A C 1.850 179.459 177.584 0.042 0.000 1.152 432 A CA 1.130 53.172 52.037 0.009 0.000 0.716 432 A CB -0.982 18.013 19.000 -0.009 0.000 0.794 432 A HN 0.063 nan 8.150 nan 0.000 0.465 433 M N -0.832 118.783 119.600 0.026 0.000 2.431 433 M HA 0.213 4.693 4.480 0.000 0.000 0.237 433 M C 1.972 178.331 176.300 0.099 0.000 1.130 433 M CA 0.602 55.949 55.300 0.079 0.000 1.002 433 M CB -0.724 31.858 32.600 -0.029 0.000 1.524 433 M HN 0.468 nan 8.290 nan 0.000 0.482 434 A N 0.845 123.685 122.820 0.033 0.000 2.019 434 A HA -0.132 4.188 4.320 0.000 0.000 0.219 434 A C 1.631 179.182 177.584 -0.056 0.000 1.164 434 A CA 1.457 53.489 52.037 -0.007 0.000 0.644 434 A CB -0.348 18.640 19.000 -0.019 0.000 0.805 434 A HN 0.504 nan 8.150 nan 0.000 0.449 435 E N -2.098 118.018 120.200 -0.139 0.000 2.476 435 E HA 0.057 4.407 4.350 0.000 0.000 0.191 435 E C 0.843 177.097 176.600 -0.576 0.000 1.064 435 E CA 0.202 56.397 56.400 -0.343 0.000 0.866 435 E CB -0.188 29.253 29.700 -0.431 0.000 0.952 435 E HN 0.886 nan 8.360 nan 0.000 0.492 436 W N 0.141 121.421 121.300 -0.033 0.000 3.517 436 W HA 0.185 4.845 4.660 0.000 0.000 0.234 436 W C 0.393 176.979 176.519 0.112 0.000 0.972 436 W CA -0.109 57.228 57.345 -0.013 0.000 2.002 436 W CB -0.172 29.180 29.460 -0.180 0.000 1.018 436 W HN -0.324 nan 8.180 nan 0.000 0.712 437 T N 1.740 116.473 114.554 0.298 0.000 2.761 437 T HA 0.362 4.712 4.350 0.000 0.000 0.287 437 T C 0.610 175.395 174.700 0.142 0.000 0.931 437 T CA 0.498 62.725 62.100 0.213 0.000 1.164 437 T CB 0.313 69.143 68.868 -0.062 0.000 0.876 437 T HN 0.168 nan 8.240 nan 0.000 0.534 438 G N 2.382 111.304 108.800 0.203 0.000 2.773 438 G HA2 0.391 4.352 3.960 0.000 0.000 0.186 438 G HA3 0.391 4.352 3.960 0.000 0.000 0.186 438 G C -0.068 174.953 174.900 0.202 0.000 1.411 438 G CA -0.806 44.395 45.100 0.168 0.000 1.054 438 G HN 0.687 nan 8.290 nan 0.000 0.579 439 R N 0.857 121.460 120.500 0.172 0.000 2.537 439 R HA 0.085 4.425 4.340 0.000 0.000 0.280 439 R C -0.167 176.257 176.300 0.207 0.000 1.058 439 R CA -0.058 56.139 56.100 0.162 0.000 1.057 439 R CB 0.357 30.711 30.300 0.091 0.000 0.973 439 R HN 0.540 nan 8.270 nan 0.000 0.438 440 E N 5.266 125.570 120.200 0.173 0.000 2.081 440 E HA -0.027 4.323 4.350 0.000 0.000 0.270 440 E C 0.775 177.285 176.600 -0.150 0.000 1.180 440 E CA -0.150 56.187 56.400 -0.106 0.000 0.926 440 E CB 0.426 30.060 29.700 -0.110 0.000 1.035 440 E HN 0.656 nan 8.360 nan 0.000 0.418 441 L N 2.953 124.066 121.223 -0.183 0.000 2.056 441 L HA -0.090 4.250 4.340 0.000 0.000 0.207 441 L C 1.079 177.915 176.870 -0.056 0.000 1.078 441 L CA 0.716 55.508 54.840 -0.079 0.000 0.749 441 L CB -0.332 41.693 42.059 -0.057 0.000 0.901 441 L HN 0.421 nan 8.230 nan 0.000 0.433 442 S N -2.496 113.071 115.700 -0.221 0.000 2.572 442 S HA 0.384 4.854 4.470 0.000 0.000 0.274 442 S C -2.387 171.939 174.600 -0.458 0.000 1.150 442 S CA -1.144 56.863 58.200 -0.323 0.000 0.944 442 S CB 2.085 65.083 63.200 -0.337 0.000 1.071 442 S HN -0.196 nan 8.310 nan 0.000 0.479 443 P HA 0.235 nan 4.420 nan 0.000 0.241 443 P C 0.903 178.048 177.300 -0.258 0.000 1.191 443 P CA 1.137 63.719 63.100 -0.863 0.000 0.771 443 P CB -0.564 30.280 31.700 -1.426 0.000 0.929 444 G N 0.208 108.878 108.800 -0.217 0.000 2.712 444 G HA2 -0.177 3.783 3.960 0.000 0.000 0.686 444 G HA3 -0.177 3.783 3.960 0.000 0.000 0.686 444 G C 0.654 175.505 174.900 -0.082 0.000 1.321 444 G CA -0.461 44.580 45.100 -0.098 0.000 0.813 444 G HN 0.103 nan 8.290 nan 0.000 0.599 445 V N -1.316 118.577 119.914 -0.035 0.000 2.546 445 V HA -0.182 3.938 4.120 0.000 0.000 0.254 445 V C 2.555 178.635 176.094 -0.023 0.000 1.076 445 V CA 2.681 64.971 62.300 -0.016 0.000 1.087 445 V CB -0.592 31.237 31.823 0.009 0.000 0.674 445 V HN 0.989 nan 8.190 nan 0.000 0.470 446 E N 2.742 122.927 120.200 -0.025 0.000 2.333 446 E HA 0.005 4.355 4.350 0.000 0.000 0.198 446 E C 1.175 177.757 176.600 -0.028 0.000 1.007 446 E CA 1.148 57.535 56.400 -0.022 0.000 0.845 446 E CB -0.538 29.150 29.700 -0.019 0.000 0.766 446 E HN 0.796 nan 8.360 nan 0.000 0.507 447 A N 1.353 124.142 122.820 -0.052 0.000 2.260 447 A HA 0.318 4.638 4.320 0.000 0.000 0.312 447 A C 0.588 178.139 177.584 -0.055 0.000 1.321 447 A CA -0.545 51.455 52.037 -0.063 0.000 0.928 447 A CB 0.800 19.723 19.000 -0.127 0.000 1.158 447 A HN 0.015 nan 8.150 nan 0.000 0.542 448 Q N 0.642 120.424 119.800 -0.029 0.000 2.506 448 Q HA 0.059 4.399 4.340 0.000 0.000 0.239 448 Q C 0.897 176.892 176.000 -0.009 0.000 0.782 448 Q CA 1.180 56.973 55.803 -0.017 0.000 0.972 448 Q CB -0.064 28.669 28.738 -0.009 0.000 1.304 448 Q HN 0.897 nan 8.270 nan 0.000 0.534 449 T N -0.128 114.422 114.554 -0.006 0.000 2.860 449 T HA 0.112 4.463 4.350 0.000 0.000 0.299 449 T C 0.758 175.458 174.700 -0.001 0.000 1.045 449 T CA -0.161 61.938 62.100 -0.001 0.000 1.071 449 T CB 0.937 69.806 68.868 0.002 0.000 0.985 449 T HN -0.146 nan 8.240 nan 0.000 0.537 450 D N 0.484 120.885 120.400 0.001 0.000 2.127 450 D HA -0.147 4.493 4.640 0.000 0.000 0.190 450 D C 1.877 178.176 176.300 -0.001 0.000 1.000 450 D CA 1.818 55.818 54.000 -0.000 0.000 0.839 450 D CB -0.435 40.367 40.800 0.002 0.000 0.955 450 D HN 0.877 nan 8.370 nan 0.000 0.446 451 E N 0.332 120.533 120.200 0.002 0.000 2.095 451 E HA -0.294 4.056 4.350 0.000 0.000 0.212 451 E C 1.917 178.522 176.600 0.007 0.000 1.044 451 E CA 1.736 58.138 56.400 0.004 0.000 0.857 451 E CB -0.040 29.663 29.700 0.006 0.000 0.764 451 E HN 0.406 nan 8.360 nan 0.000 0.462 452 E N -0.031 120.174 120.200 0.009 0.000 2.110 452 E HA -0.167 4.183 4.350 0.000 0.000 0.193 452 E C 2.277 178.898 176.600 0.035 0.000 0.988 452 E CA 0.844 57.255 56.400 0.018 0.000 0.804 452 E CB -0.049 29.654 29.700 0.005 0.000 0.745 452 E HN 0.340 nan 8.360 nan 0.000 0.458 453 L N 0.637 121.872 121.223 0.020 0.000 2.156 453 L HA -0.158 4.183 4.340 0.000 0.000 0.208 453 L C 2.379 179.272 176.870 0.039 0.000 1.095 453 L CA 0.943 55.808 54.840 0.042 0.000 0.770 453 L CB -0.245 41.821 42.059 0.013 0.000 0.914 453 L HN 0.159 nan 8.230 nan 0.000 0.439 454 Q N -0.190 119.603 119.800 -0.011 0.000 2.119 454 Q HA -0.240 4.100 4.340 0.000 0.000 0.201 454 Q C 1.702 177.665 176.000 -0.061 0.000 0.972 454 Q CA 1.819 57.579 55.803 -0.071 0.000 0.847 454 Q CB -0.115 28.586 28.738 -0.062 0.000 0.903 454 Q HN 0.443 nan 8.270 nan 0.000 0.433 455 D N -0.024 120.375 120.400 -0.002 0.000 2.092 455 D HA -0.247 4.393 4.640 0.000 0.000 0.193 455 D C 1.724 178.028 176.300 0.007 0.000 0.994 455 D CA 1.209 55.215 54.000 0.008 0.000 0.828 455 D CB -0.166 40.656 40.800 0.036 0.000 0.963 455 D HN 0.328 nan 8.370 nan 0.000 0.450 456 Y N 0.406 120.658 120.300 -0.079 0.000 2.200 456 Y HA -0.065 4.485 4.550 0.000 0.000 0.290 456 Y C 2.049 177.872 175.900 -0.127 0.000 1.137 456 Y CA 1.382 59.424 58.100 -0.097 0.000 1.163 456 Y CB -0.208 38.206 38.460 -0.077 0.000 0.988 456 Y HN 0.038 nan 8.280 nan 0.000 0.518 457 I N 0.184 120.633 120.570 -0.202 0.000 2.286 457 I HA -0.301 3.869 4.170 0.000 0.000 0.248 457 I C 2.715 178.679 176.117 -0.255 0.000 1.115 457 I CA 1.458 62.570 61.300 -0.313 0.000 1.392 457 I CB -0.348 37.452 38.000 -0.333 0.000 1.065 457 I HN 0.194 nan 8.210 nan 0.000 0.418 458 R N 0.943 121.321 120.500 -0.203 0.000 2.092 458 R HA -0.142 4.198 4.340 0.000 0.000 0.231 458 R C 2.167 178.440 176.300 -0.046 0.000 1.119 458 R CA 1.336 57.399 56.100 -0.062 0.000 0.970 458 R CB 0.076 30.346 30.300 -0.052 0.000 0.864 458 R HN 0.261 nan 8.270 nan 0.000 0.440 459 K N -1.140 119.139 120.400 -0.202 0.000 2.186 459 K HA -0.019 4.301 4.320 0.000 0.000 0.202 459 K C 1.306 177.724 176.600 -0.304 0.000 1.052 459 K CA 1.580 57.676 56.287 -0.318 0.000 0.965 459 K CB 0.435 32.538 32.500 -0.661 0.000 0.746 459 K HN 0.267 nan 8.250 nan 0.000 0.457 460 T N -1.793 112.505 114.554 -0.427 0.000 3.145 460 T HA 0.086 4.437 4.350 0.000 0.000 0.281 460 T C 0.122 174.622 174.700 -0.333 0.000 1.003 460 T CA -0.673 61.175 62.100 -0.420 0.000 0.901 460 T CB -0.419 68.016 68.868 -0.723 0.000 1.112 460 T HN 0.241 nan 8.240 nan 0.000 0.535 461 H N 0.837 119.774 119.070 -0.221 0.000 2.597 461 H HA 0.769 5.325 4.556 0.000 0.000 0.370 461 H C 0.192 175.443 175.328 -0.128 0.000 1.281 461 H CA -0.341 55.623 56.048 -0.140 0.000 1.422 461 H CB 0.436 30.178 29.762 -0.033 0.000 1.524 461 H HN 0.141 nan 8.280 nan 0.000 0.607 462 N N -1.415 117.300 118.700 0.025 0.000 3.566 462 N HA 0.384 5.125 4.740 0.000 0.000 0.354 462 N C -1.345 174.080 175.510 -0.141 0.000 1.632 462 N CA -0.101 52.890 53.050 -0.099 0.000 0.690 462 N CB 1.883 40.365 38.487 -0.010 0.000 2.273 462 N HN 0.830 nan 8.380 nan 0.000 0.643 463 T N -0.948 113.400 114.554 -0.344 0.000 2.896 463 T HA 0.457 4.807 4.350 0.000 0.000 0.297 463 T C 0.333 174.724 174.700 -0.515 0.000 1.108 463 T CA -0.552 61.309 62.100 -0.399 0.000 1.004 463 T CB 0.932 69.533 68.868 -0.444 0.000 1.159 463 T HN 0.077 nan 8.240 nan 0.000 0.499 464 V N 2.617 122.283 119.914 -0.414 0.000 3.380 464 V HA 0.157 4.277 4.120 0.000 0.000 0.268 464 V C 0.107 175.981 176.094 -0.365 0.000 1.168 464 V CA 0.399 62.374 62.300 -0.542 0.000 1.156 464 V CB -1.923 29.360 31.823 -0.899 0.000 0.785 464 V HN 1.042 nan 8.190 nan 0.000 0.487 465 Y N -0.919 119.312 120.300 -0.115 0.000 3.612 465 Y HA -0.190 4.360 4.550 0.000 0.000 0.225 465 Y C 0.502 176.659 175.900 0.427 0.000 1.521 465 Y CA 0.328 58.549 58.100 0.202 0.000 1.743 465 Y CB -2.844 35.728 38.460 0.187 0.000 1.583 465 Y HN 0.553 nan 8.280 nan 0.000 0.611 466 H N -0.586 118.651 119.070 0.279 0.000 2.551 466 H HA 0.226 4.782 4.556 0.000 0.000 0.238 466 H C -2.400 172.987 175.328 0.098 0.000 1.345 466 H CA -2.020 54.154 56.048 0.210 0.000 1.105 466 H CB 0.815 30.721 29.762 0.239 0.000 1.805 466 H HN 0.008 nan 8.280 nan 0.000 0.553 467 P HA 0.063 nan 4.420 nan 0.000 0.275 467 P C -0.126 177.056 177.300 -0.197 0.000 1.227 467 P CA -0.104 62.950 63.100 -0.076 0.000 0.781 467 P CB 2.054 33.634 31.700 -0.200 0.000 0.906 468 V N -2.138 117.588 119.914 -0.313 0.000 3.216 468 V HA 0.837 4.957 4.120 0.000 0.000 0.302 468 V C 0.480 176.375 176.094 -0.331 0.000 1.286 468 V CA -0.180 61.894 62.300 -0.377 0.000 1.048 468 V CB 1.114 32.544 31.823 -0.654 0.000 1.081 468 V HN 0.782 nan 8.190 nan 0.000 0.442 469 G N 1.263 109.876 108.800 -0.311 0.000 2.157 469 G HA2 -0.211 3.749 3.960 0.000 0.000 0.248 469 G HA3 -0.211 3.749 3.960 0.000 0.000 0.248 469 G C 0.676 175.459 174.900 -0.194 0.000 0.979 469 G CA 1.041 45.969 45.100 -0.287 0.000 0.650 469 G HN 2.259 nan 8.290 nan 0.000 0.529 470 T N -2.343 112.096 114.554 -0.192 0.000 3.088 470 T HA 0.422 4.773 4.350 0.000 0.000 0.259 470 T C 0.772 175.389 174.700 -0.139 0.000 1.122 470 T CA 0.980 62.981 62.100 -0.165 0.000 1.095 470 T CB 0.745 69.499 68.868 -0.191 0.000 0.930 470 T HN 0.865 nan 8.240 nan 0.000 0.508 471 V N 2.767 122.593 119.914 -0.146 0.000 2.462 471 V HA 0.348 4.468 4.120 0.000 0.000 0.257 471 V C 0.080 176.079 176.094 -0.159 0.000 0.944 471 V CA -1.339 60.886 62.300 -0.126 0.000 0.903 471 V CB 0.199 31.952 31.823 -0.116 0.000 1.128 471 V HN 0.528 nan 8.190 nan 0.000 0.486 472 R N 3.387 123.794 120.500 -0.156 0.000 2.490 472 R HA 0.648 4.988 4.340 0.000 0.000 0.280 472 R C 0.308 176.457 176.300 -0.252 0.000 1.077 472 R CA -0.575 55.369 56.100 -0.259 0.000 1.065 472 R CB 1.027 31.146 30.300 -0.302 0.000 1.003 472 R HN 0.651 nan 8.270 nan 0.000 0.470 473 M N 1.440 120.830 119.600 -0.351 0.000 2.243 473 M HA 0.501 4.981 4.480 0.000 0.000 0.341 473 M C -0.253 175.894 176.300 -0.255 0.000 1.130 473 M CA 0.526 55.642 55.300 -0.306 0.000 1.162 473 M CB 1.209 33.544 32.600 -0.443 0.000 1.497 473 M HN 0.854 nan 8.290 nan 0.000 0.456 474 G N 1.027 109.741 108.800 -0.142 0.000 2.554 474 G HA2 0.620 4.580 3.960 0.000 0.000 0.306 474 G HA3 0.620 4.580 3.960 0.000 0.000 0.306 474 G C -1.743 173.142 174.900 -0.025 0.000 1.320 474 G CA -0.609 44.441 45.100 -0.084 0.000 0.800 474 G HN 1.097 nan 8.290 nan 0.000 0.481 475 A N -0.500 122.316 122.820 -0.005 0.000 2.498 475 A HA 0.450 4.770 4.320 0.000 0.000 0.239 475 A C 1.671 179.259 177.584 0.006 0.000 1.068 475 A CA 0.391 52.435 52.037 0.012 0.000 0.766 475 A CB 0.479 19.485 19.000 0.010 0.000 1.003 475 A HN 1.368 nan 8.150 nan 0.000 0.497 476 V N 1.956 121.879 119.914 0.016 0.000 2.660 476 V HA -0.210 3.910 4.120 0.000 0.000 0.257 476 V C 2.165 178.262 176.094 0.006 0.000 1.088 476 V CA 2.402 64.710 62.300 0.013 0.000 1.106 476 V CB -0.976 30.858 31.823 0.019 0.000 0.686 476 V HN 1.029 nan 8.190 nan 0.000 0.481 477 E N -0.404 119.798 120.200 0.004 0.000 2.526 477 E HA 0.018 4.368 4.350 0.000 0.000 0.208 477 E C 0.231 176.829 176.600 -0.003 0.000 0.997 477 E CA -0.123 56.277 56.400 0.001 0.000 0.961 477 E CB -0.011 29.691 29.700 0.003 0.000 1.030 477 E HN 0.496 nan 8.360 nan 0.000 0.483 478 D N 3.027 123.423 120.400 -0.005 0.000 2.359 478 D HA -0.020 4.620 4.640 0.000 0.000 0.250 478 D C 0.906 177.200 176.300 -0.010 0.000 1.264 478 D CA -0.077 53.917 54.000 -0.010 0.000 0.911 478 D CB 0.946 41.734 40.800 -0.019 0.000 1.056 478 D HN 0.255 nan 8.370 nan 0.000 0.499 479 E N 2.824 123.021 120.200 -0.005 0.000 2.338 479 E HA -0.151 4.199 4.350 0.000 0.000 0.197 479 E C 1.169 177.770 176.600 0.002 0.000 1.007 479 E CA 0.679 57.076 56.400 -0.005 0.000 0.849 479 E CB -0.074 29.623 29.700 -0.005 0.000 0.774 479 E HN 0.368 nan 8.360 nan 0.000 0.506 480 M N 0.789 120.398 119.600 0.014 0.000 2.561 480 M HA 0.178 4.658 4.480 0.000 0.000 0.238 480 M C 0.022 176.361 176.300 0.065 0.000 1.131 480 M CA 0.281 55.616 55.300 0.058 0.000 1.046 480 M CB 0.033 32.689 32.600 0.094 0.000 1.532 480 M HN -0.112 nan 8.290 nan 0.000 0.497 481 S N 1.027 116.725 115.700 -0.003 0.000 2.520 481 S HA 0.310 4.780 4.470 0.000 0.000 0.324 481 S C -1.653 172.925 174.600 -0.037 0.000 1.069 481 S CA -1.090 57.085 58.200 -0.042 0.000 1.121 481 S CB 1.587 64.741 63.200 -0.076 0.000 0.971 481 S HN 0.050 nan 8.310 nan 0.000 0.463 482 P HA -0.047 nan 4.420 nan 0.000 0.218 482 P C -0.246 177.030 177.300 -0.041 0.000 1.148 482 P CA 1.054 64.130 63.100 -0.039 0.000 0.822 482 P CB 0.136 31.807 31.700 -0.048 0.000 0.784 483 L N -0.150 121.036 121.223 -0.062 0.000 2.331 483 L HA 0.335 4.675 4.340 0.000 0.000 0.275 483 L C 0.564 177.409 176.870 -0.040 0.000 1.022 483 L CA -1.289 53.520 54.840 -0.053 0.000 0.812 483 L CB 1.054 43.063 42.059 -0.085 0.000 1.257 483 L HN -0.092 nan 8.230 nan 0.000 0.435 484 D N 1.705 122.103 120.400 -0.004 0.000 2.433 484 D HA 0.218 4.858 4.640 0.000 0.000 0.255 484 D C -2.194 174.138 176.300 0.055 0.000 1.226 484 D CA -2.018 51.994 54.000 0.021 0.000 1.015 484 D CB 0.251 41.073 40.800 0.036 0.000 1.091 484 D HN 0.138 nan 8.370 nan 0.000 0.527 485 P HA -0.067 nan 4.420 nan 0.000 0.228 485 P C 0.285 177.805 177.300 0.367 0.000 1.151 485 P CA 1.032 64.277 63.100 0.242 0.000 0.770 485 P CB 0.020 31.857 31.700 0.227 0.000 0.786 486 E N -0.296 120.033 120.200 0.215 0.000 2.437 486 E HA 0.141 4.491 4.350 0.000 0.000 0.195 486 E C 0.564 177.268 176.600 0.173 0.000 1.029 486 E CA -0.278 56.244 56.400 0.203 0.000 0.948 486 E CB -0.518 29.249 29.700 0.111 0.000 1.082 486 E HN 0.195 nan 8.360 nan 0.000 0.456 487 L N -0.413 120.900 121.223 0.150 0.000 4.800 487 L HA -0.238 4.102 4.340 0.000 0.000 0.412 487 L C 0.063 176.960 176.870 0.044 0.000 1.063 487 L CA 0.594 55.480 54.840 0.077 0.000 1.114 487 L CB -1.540 40.592 42.059 0.120 0.000 2.089 487 L HN 0.164 nan 8.230 nan 0.000 0.686 488 R N 0.473 121.004 120.500 0.052 0.000 2.308 488 R HA 0.488 4.828 4.340 0.000 0.000 0.305 488 R C 0.189 176.508 176.300 0.031 0.000 1.053 488 R CA -0.690 55.438 56.100 0.047 0.000 0.957 488 R CB 1.454 31.787 30.300 0.055 0.000 1.022 488 R HN -0.068 nan 8.270 nan 0.000 0.461 489 V N 4.545 124.481 119.914 0.037 0.000 2.434 489 V HA -0.060 4.060 4.120 0.000 0.000 0.281 489 V C 0.600 176.713 176.094 0.031 0.000 1.005 489 V CA 0.330 62.648 62.300 0.031 0.000 1.089 489 V CB -0.425 31.431 31.823 0.055 0.000 0.978 489 V HN 0.628 nan 8.190 nan 0.000 0.474 490 K N 3.830 124.237 120.400 0.011 0.000 2.448 490 K HA 0.405 4.725 4.320 0.000 0.000 0.278 490 K C 1.275 177.873 176.600 -0.003 0.000 1.009 490 K CA 0.762 57.052 56.287 0.006 0.000 0.995 490 K CB 0.394 32.891 32.500 -0.004 0.000 0.917 490 K HN 1.034 nan 8.250 nan 0.000 0.481 491 G N 0.420 109.219 108.800 -0.002 0.000 2.195 491 G HA2 -0.203 3.757 3.960 0.000 0.000 0.224 491 G HA3 -0.203 3.757 3.960 0.000 0.000 0.224 491 G C -0.150 174.735 174.900 -0.024 0.000 0.990 491 G CA -0.170 44.916 45.100 -0.022 0.000 0.639 491 G HN 0.454 nan 8.290 nan 0.000 0.514 492 V N 0.325 120.249 119.914 0.018 0.000 3.167 492 V HA 0.920 5.040 4.120 0.000 0.000 0.310 492 V C 0.311 176.474 176.094 0.116 0.000 1.207 492 V CA 0.270 62.616 62.300 0.077 0.000 1.059 492 V CB 2.281 34.178 31.823 0.123 0.000 1.079 492 V HN 1.034 nan 8.190 nan 0.000 0.446 493 T N -1.650 112.999 114.554 0.159 0.000 2.916 493 T HA 0.658 5.008 4.350 0.000 0.000 0.292 493 T C 0.669 175.431 174.700 0.103 0.000 1.064 493 T CA 0.141 62.306 62.100 0.108 0.000 1.011 493 T CB 1.573 70.485 68.868 0.072 0.000 1.152 493 T HN 2.230 nan 8.240 nan 0.000 0.510 494 G N -0.019 108.823 108.800 0.070 0.000 2.155 494 G HA2 -0.158 3.802 3.960 0.000 0.000 0.257 494 G HA3 -0.158 3.802 3.960 0.000 0.000 0.257 494 G C -0.315 174.610 174.900 0.042 0.000 0.983 494 G CA 0.377 45.504 45.100 0.046 0.000 0.676 494 G HN 1.061 nan 8.290 nan 0.000 0.528 495 L N 0.711 121.977 121.223 0.071 0.000 2.349 495 L HA 0.788 5.128 4.340 0.000 0.000 0.278 495 L C 0.230 177.138 176.870 0.062 0.000 0.996 495 L CA -1.091 53.787 54.840 0.063 0.000 0.825 495 L CB 1.198 43.323 42.059 0.111 0.000 1.243 495 L HN 0.239 nan 8.230 nan 0.000 0.412 496 R N 3.256 123.785 120.500 0.048 0.000 2.832 496 R HA 0.806 5.146 4.340 0.000 0.000 0.271 496 R C -1.416 174.892 176.300 0.012 0.000 0.996 496 R CA -1.099 55.022 56.100 0.035 0.000 0.977 496 R CB 2.296 32.620 30.300 0.040 0.000 1.168 496 R HN 0.356 nan 8.270 nan 0.000 0.482 497 V N 1.185 121.097 119.914 -0.004 0.000 2.409 497 V HA 0.562 4.682 4.120 0.000 0.000 0.291 497 V C -0.542 175.532 176.094 -0.032 0.000 1.020 497 V CA -0.630 61.652 62.300 -0.030 0.000 0.848 497 V CB 1.502 33.291 31.823 -0.057 0.000 0.990 497 V HN 0.913 nan 8.190 nan 0.000 0.430 498 A N 4.454 127.254 122.820 -0.034 0.000 2.646 498 A HA 0.812 5.132 4.320 0.000 0.000 0.312 498 A C -0.685 176.870 177.584 -0.048 0.000 1.245 498 A CA -0.471 51.548 52.037 -0.030 0.000 0.755 498 A CB 0.379 19.375 19.000 -0.007 0.000 1.132 498 A HN 0.924 nan 8.150 nan 0.000 0.458 499 D N 0.265 120.623 120.400 -0.069 0.000 3.103 499 D HA 0.490 5.131 4.640 0.000 0.000 0.337 499 D C 0.803 177.045 176.300 -0.097 0.000 1.356 499 D CA 0.169 54.126 54.000 -0.073 0.000 0.951 499 D CB 0.478 41.233 40.800 -0.074 0.000 1.438 499 D HN 0.313 nan 8.370 nan 0.000 0.562 500 A N -0.328 122.432 122.820 -0.100 0.000 2.172 500 A HA 0.030 4.350 4.320 0.000 0.000 0.216 500 A C 1.851 179.316 177.584 -0.199 0.000 1.154 500 A CA 1.428 53.387 52.037 -0.131 0.000 0.701 500 A CB -0.996 17.933 19.000 -0.119 0.000 0.789 500 A HN 0.374 nan 8.150 nan 0.000 0.465 501 S N -0.335 115.254 115.700 -0.186 0.000 2.387 501 S HA -0.188 4.282 4.470 0.000 0.000 0.230 501 S C 1.972 176.416 174.600 -0.259 0.000 1.035 501 S CA 1.767 59.843 58.200 -0.207 0.000 1.014 501 S CB -0.569 62.531 63.200 -0.168 0.000 0.836 501 S HN 0.966 nan 8.310 nan 0.000 0.466 502 V N -0.405 119.336 119.914 -0.289 0.000 3.041 502 V HA 0.157 4.277 4.120 0.000 0.000 0.260 502 V C 0.730 176.467 176.094 -0.595 0.000 1.105 502 V CA 0.392 62.457 62.300 -0.391 0.000 1.125 502 V CB -0.967 30.617 31.823 -0.398 0.000 0.730 502 V HN 0.369 nan 8.190 nan 0.000 0.479 503 M N 2.600 121.835 119.600 -0.608 0.000 2.303 503 M HA 0.170 4.650 4.480 0.000 0.000 0.350 503 M C -1.104 174.680 176.300 -0.860 0.000 1.518 503 M CA -0.766 53.985 55.300 -0.915 0.000 1.070 503 M CB 0.465 32.743 32.600 -0.536 0.000 1.910 503 M HN 0.116 nan 8.290 nan 0.000 0.458 504 P HA -0.039 nan 4.420 nan 0.000 0.229 504 P C -0.087 176.721 177.300 -0.820 0.000 1.160 504 P CA 1.314 63.898 63.100 -0.861 0.000 0.777 504 P CB 0.285 31.473 31.700 -0.852 0.000 0.814 505 E N -1.215 118.558 120.200 -0.712 0.000 2.335 505 E HA 0.256 4.606 4.350 0.000 0.000 0.280 505 E C -0.904 175.704 176.600 0.014 0.000 0.918 505 E CA -0.769 55.433 56.400 -0.330 0.000 0.765 505 E CB 0.630 30.142 29.700 -0.314 0.000 1.218 505 E HN -0.127 nan 8.360 nan 0.000 0.425 506 H N 1.978 120.995 119.070 -0.088 0.000 2.836 506 H HA 0.262 4.818 4.556 0.000 0.000 0.368 506 H C -0.045 175.303 175.328 0.033 0.000 1.164 506 H CA 0.553 56.561 56.048 -0.067 0.000 1.425 506 H CB 0.683 30.332 29.762 -0.189 0.000 1.414 506 H HN 0.384 nan 8.280 nan 0.000 0.614 507 V N 1.218 121.398 119.914 0.443 0.000 2.863 507 V HA 0.207 4.327 4.120 0.000 0.000 0.307 507 V C 1.268 177.405 176.094 0.072 0.000 1.061 507 V CA -0.464 61.990 62.300 0.257 0.000 1.024 507 V CB 1.096 33.083 31.823 0.275 0.000 1.049 507 V HN 0.819 nan 8.190 nan 0.000 0.471 508 T N 1.669 116.288 114.554 0.107 0.000 2.881 508 T HA -0.016 4.334 4.350 0.000 0.000 0.270 508 T C 0.738 175.388 174.700 -0.083 0.000 1.068 508 T CA 1.790 63.928 62.100 0.062 0.000 1.131 508 T CB -0.326 68.598 68.868 0.095 0.000 0.871 508 T HN 0.987 nan 8.240 nan 0.000 0.479 509 V N -0.944 118.939 119.914 -0.052 0.000 3.284 509 V HA 0.488 4.608 4.120 0.000 0.000 0.309 509 V C -0.272 175.865 176.094 0.072 0.000 1.190 509 V CA -1.670 60.551 62.300 -0.132 0.000 1.038 509 V CB 0.943 32.515 31.823 -0.419 0.000 1.198 509 V HN 0.075 nan 8.190 nan 0.000 0.465 510 N N 2.435 121.202 118.700 0.112 0.000 2.447 510 N HA 0.186 4.926 4.740 0.000 0.000 0.263 510 N C -1.938 173.570 175.510 -0.004 0.000 1.226 510 N CA -0.546 52.532 53.050 0.047 0.000 0.906 510 N CB 1.071 39.656 38.487 0.163 0.000 1.060 510 N HN 0.635 nan 8.380 nan 0.000 0.468 511 P HA -0.037 nan 4.420 nan 0.000 0.251 511 P C 0.807 178.127 177.300 0.033 0.000 1.223 511 P CA 0.523 63.630 63.100 0.011 0.000 0.796 511 P CB 0.265 31.978 31.700 0.022 0.000 1.068 512 N N 0.613 119.312 118.700 -0.001 0.000 2.036 512 N HA -0.141 4.599 4.740 0.000 0.000 0.195 512 N C 1.584 177.131 175.510 0.061 0.000 1.037 512 N CA 1.262 54.325 53.050 0.022 0.000 0.855 512 N CB -0.123 38.365 38.487 0.002 0.000 1.033 512 N HN -0.118 nan 8.380 nan 0.000 0.423 513 I N 1.431 122.052 120.570 0.085 0.000 2.163 513 I HA -0.218 3.952 4.170 0.000 0.000 0.243 513 I C 2.278 178.509 176.117 0.191 0.000 1.085 513 I CA 1.384 62.758 61.300 0.122 0.000 1.347 513 I CB -1.789 36.269 38.000 0.098 0.000 1.044 513 I HN 0.193 nan 8.210 nan 0.000 0.408 514 T N 0.895 115.591 114.554 0.236 0.000 2.881 514 T HA -0.079 4.271 4.350 0.000 0.000 0.270 514 T C 2.089 176.864 174.700 0.124 0.000 1.068 514 T CA 0.914 63.152 62.100 0.230 0.000 1.131 514 T CB -0.193 68.825 68.868 0.249 0.000 0.871 514 T HN 0.137 nan 8.240 nan 0.000 0.479 515 V N 0.937 120.906 119.914 0.093 0.000 2.649 515 V HA 0.002 4.122 4.120 0.000 0.000 0.248 515 V C 2.342 178.452 176.094 0.026 0.000 1.054 515 V CA 1.114 63.447 62.300 0.054 0.000 1.073 515 V CB -0.476 31.362 31.823 0.024 0.000 0.699 515 V HN 0.490 nan 8.190 nan 0.000 0.463 516 M N -0.880 118.739 119.600 0.031 0.000 2.175 516 M HA -0.176 4.304 4.480 0.000 0.000 0.264 516 M C 2.288 178.575 176.300 -0.022 0.000 1.063 516 M CA 1.724 57.030 55.300 0.009 0.000 1.119 516 M CB -0.371 32.282 32.600 0.087 0.000 1.377 516 M HN 0.331 nan 8.290 nan 0.000 0.415 517 M N 0.867 120.442 119.600 -0.042 0.000 2.132 517 M HA -0.154 4.326 4.480 0.000 0.000 0.263 517 M C 1.923 178.209 176.300 -0.023 0.000 1.065 517 M CA 1.867 57.083 55.300 -0.139 0.000 1.122 517 M CB -0.612 31.724 32.600 -0.441 0.000 1.365 517 M HN 0.234 nan 8.290 nan 0.000 0.411 518 I N 0.458 121.079 120.570 0.085 0.000 2.194 518 I HA -0.258 3.912 4.170 0.000 0.000 0.246 518 I C 2.539 178.727 176.117 0.118 0.000 1.093 518 I CA 1.471 62.902 61.300 0.219 0.000 1.355 518 I CB -1.092 37.012 38.000 0.174 0.000 1.046 518 I HN 0.439 nan 8.210 nan 0.000 0.413 519 G N 0.083 108.887 108.800 0.006 0.000 2.418 519 G HA2 -0.200 3.761 3.960 0.000 0.000 0.217 519 G HA3 -0.200 3.761 3.960 0.000 0.000 0.217 519 G C 1.533 176.383 174.900 -0.085 0.000 1.158 519 G CA 0.384 45.445 45.100 -0.064 0.000 0.771 519 G HN 0.311 nan 8.290 nan 0.000 0.545 520 E N 0.324 120.472 120.200 -0.088 0.000 2.085 520 E HA -0.182 4.168 4.350 0.000 0.000 0.194 520 E C 2.535 179.086 176.600 -0.081 0.000 0.994 520 E CA 1.192 57.541 56.400 -0.085 0.000 0.801 520 E CB -0.120 29.537 29.700 -0.073 0.000 0.743 520 E HN 0.400 nan 8.360 nan 0.000 0.453 521 R N 0.743 121.202 120.500 -0.068 0.000 2.090 521 R HA -0.053 4.287 4.340 0.000 0.000 0.228 521 R C 2.468 178.728 176.300 -0.067 0.000 1.110 521 R CA 1.309 57.338 56.100 -0.117 0.000 0.973 521 R CB -0.915 29.262 30.300 -0.205 0.000 0.869 521 R HN 0.230 nan 8.270 nan 0.000 0.440 522 C N 0.060 119.366 119.300 0.010 0.000 2.435 522 C HA 0.166 4.626 4.460 0.000 0.000 0.279 522 C C 2.669 177.629 174.990 -0.051 0.000 1.321 522 C CA 0.882 59.914 59.018 0.023 0.000 1.752 522 C CB -1.160 26.603 27.740 0.039 0.000 1.959 522 C HN 0.638 nan 8.230 nan 0.000 0.500 523 A N 0.204 122.974 122.820 -0.084 0.000 1.969 523 A HA -0.109 4.212 4.320 0.000 0.000 0.218 523 A C 1.811 179.331 177.584 -0.106 0.000 1.169 523 A CA 2.149 54.114 52.037 -0.120 0.000 0.635 523 A CB -0.599 18.330 19.000 -0.119 0.000 0.810 523 A HN 0.616 nan 8.150 nan 0.000 0.445 524 D N -0.182 120.166 120.400 -0.088 0.000 2.162 524 D HA -0.020 4.621 4.640 0.000 0.000 0.203 524 D C 1.875 178.134 176.300 -0.070 0.000 0.967 524 D CA 0.723 54.676 54.000 -0.079 0.000 0.840 524 D CB -0.221 40.523 40.800 -0.093 0.000 0.972 524 D HN 0.420 nan 8.370 nan 0.000 0.482 525 L N 0.210 121.392 121.223 -0.067 0.000 2.093 525 L HA -0.062 4.278 4.340 0.000 0.000 0.208 525 L C 2.314 179.171 176.870 -0.023 0.000 1.085 525 L CA 0.652 55.468 54.840 -0.041 0.000 0.755 525 L CB -0.177 41.873 42.059 -0.014 0.000 0.904 525 L HN 0.028 nan 8.230 nan 0.000 0.435 526 I N -0.804 119.740 120.570 -0.044 0.000 2.202 526 I HA -0.254 3.916 4.170 0.000 0.000 0.242 526 I C 2.645 178.740 176.117 -0.036 0.000 1.091 526 I CA 1.093 62.362 61.300 -0.051 0.000 1.368 526 I CB -0.299 37.596 38.000 -0.175 0.000 1.058 526 I HN 0.165 nan 8.210 nan 0.000 0.410 527 R N 0.056 120.518 120.500 -0.063 0.000 2.285 527 R HA -0.097 4.243 4.340 0.000 0.000 0.213 527 R C 2.272 178.568 176.300 -0.007 0.000 1.068 527 R CA 0.732 56.813 56.100 -0.032 0.000 1.004 527 R CB -0.007 30.265 30.300 -0.045 0.000 0.873 527 R HN 0.271 nan 8.270 nan 0.000 0.467 528 S N -0.115 115.579 115.700 -0.010 0.000 2.303 528 S HA 0.017 4.487 4.470 0.000 0.000 0.207 528 S C 1.698 176.306 174.600 0.014 0.000 1.025 528 S CA 0.806 59.003 58.200 -0.004 0.000 0.953 528 S CB -0.014 63.176 63.200 -0.016 0.000 0.932 528 S HN 0.448 nan 8.310 nan 0.000 0.472 529 A N 0.821 123.654 122.820 0.022 0.000 2.285 529 A HA 0.115 4.435 4.320 0.000 0.000 0.214 529 A C 0.739 178.354 177.584 0.052 0.000 1.188 529 A CA 0.842 52.900 52.037 0.036 0.000 0.707 529 A CB -0.567 18.459 19.000 0.043 0.000 0.771 529 A HN 0.592 nan 8.150 nan 0.000 0.488 530 R N 0.000 120.533 120.500 0.056 0.000 2.786 530 R HA 0.000 4.340 4.340 0.000 0.000 0.208 530 R CA 0.000 56.141 56.100 0.069 0.000 0.921 530 R CB 0.000 30.329 30.300 0.048 0.000 0.687 530 R HN 0.000 nan 8.270 nan 0.000 0.535