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 2nqn_1_B DATA FIRST_RESID 6 DATA SEQUENCE GLMSLDTALN EMLSRVTPLT AQETLPLVQC FGRILASDVV SPLDVPGFDN DATA SEQUENCE SAMDGYAVRL ADIASGQPLP VAGKSFAGQP YHGEWPAGTC IRIMWGAPVP DATA SEQUENCE EGCEAVVMQE QTEQMDNGVR FTAEVRSGQN IRRRGEDISA GAVVFPAGTR DATA SEQUENCE LTTAELPVIA SLGIAEVPVI RKVRVALFST GDELQLPGQP LGDGQIYDTN DATA SEQUENCE RLAVHLMLEQ LGCEVINLGI IRDDPHALRA AFIEADSQAD VVISSGGVSV DATA SEQUENCE GEADYTKTIL EELGEIAFWK LAIKPGKPFA FGKLSNSWFC GLPGNPVSAT DATA SEQUENCE LTFYQLVQPL LAKLSGNTAS GLPARQRVRT ASRLKKTPGR LDFQRGVLQR DATA SEQUENCE NADGELEVTT TGHQGSHIFS SFSLGNCFIV LERDRGNVEV GEWVEVEPFN DATA SEQUENCE ALFGG 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 6 G C 0.000 174.928 174.900 0.046 0.000 0.946 6 G CA 0.000 45.128 45.100 0.047 0.000 0.502 7 L N -1.893 119.346 121.223 0.028 0.000 5.609 7 L HA 0.141 4.481 4.340 0.000 0.000 0.055 7 L C -0.074 176.789 176.870 -0.011 0.000 2.812 7 L CA 0.658 55.509 54.840 0.018 0.000 0.944 7 L CB -0.529 41.555 42.059 0.042 0.000 2.934 7 L HN 0.603 nan 8.230 nan 0.000 0.995 8 M N 2.072 121.655 119.600 -0.028 0.000 2.239 8 M HA 0.415 4.895 4.480 0.000 0.000 0.348 8 M C 0.283 176.530 176.300 -0.090 0.000 1.239 8 M CA 0.609 55.848 55.300 -0.102 0.000 1.114 8 M CB 0.865 33.338 32.600 -0.212 0.000 1.641 8 M HN 0.521 nan 8.290 nan 0.000 0.453 9 S N 4.872 120.508 115.700 -0.107 0.000 2.601 9 S HA 0.194 4.664 4.470 0.000 0.000 0.271 9 S C 1.011 175.547 174.600 -0.106 0.000 1.305 9 S CA -0.965 57.187 58.200 -0.081 0.000 1.022 9 S CB 1.178 64.335 63.200 -0.071 0.000 0.940 9 S HN 0.980 nan 8.310 nan 0.000 0.525 10 L N 0.929 122.117 121.223 -0.059 0.000 2.013 10 L HA -0.178 4.162 4.340 0.000 0.000 0.212 10 L C 2.505 179.313 176.870 -0.103 0.000 1.073 10 L CA 2.360 57.161 54.840 -0.064 0.000 0.753 10 L CB -0.635 41.437 42.059 0.022 0.000 0.890 10 L HN 0.995 nan 8.230 nan 0.000 0.432 11 D N -1.184 119.166 120.400 -0.082 0.000 2.104 11 D HA -0.209 4.431 4.640 0.000 0.000 0.194 11 D C 1.763 177.985 176.300 -0.130 0.000 0.994 11 D CA 2.019 55.964 54.000 -0.091 0.000 0.830 11 D CB 0.279 41.038 40.800 -0.069 0.000 0.959 11 D HN 0.339 nan 8.370 nan 0.000 0.452 12 T N 0.470 114.930 114.554 -0.156 0.000 2.674 12 T HA -0.089 4.261 4.350 0.000 0.000 0.265 12 T C 2.014 176.532 174.700 -0.304 0.000 1.039 12 T CA 1.784 63.762 62.100 -0.203 0.000 1.150 12 T CB -0.434 68.305 68.868 -0.214 0.000 0.864 12 T HN 0.291 nan 8.240 nan 0.000 0.427 13 A N 1.384 123.962 122.820 -0.403 0.000 1.883 13 A HA -0.069 4.251 4.320 0.000 0.000 0.217 13 A C 2.237 179.638 177.584 -0.304 0.000 1.186 13 A CA 1.342 53.027 52.037 -0.588 0.000 0.624 13 A CB -0.927 17.801 19.000 -0.453 0.000 0.822 13 A HN 0.369 nan 8.150 nan 0.000 0.444 14 L N 0.429 121.520 121.223 -0.220 0.000 1.989 14 L HA -0.183 4.157 4.340 0.000 0.000 0.211 14 L C 2.019 178.786 176.870 -0.172 0.000 1.071 14 L CA 2.491 57.219 54.840 -0.187 0.000 0.749 14 L CB -1.385 40.580 42.059 -0.156 0.000 0.890 14 L HN 0.524 nan 8.230 nan 0.000 0.431 15 N N -0.819 117.791 118.700 -0.150 0.000 2.166 15 N HA -0.238 4.502 4.740 0.000 0.000 0.186 15 N C 1.818 177.266 175.510 -0.102 0.000 1.019 15 N CA 1.268 54.249 53.050 -0.116 0.000 0.856 15 N CB 0.013 38.441 38.487 -0.098 0.000 0.993 15 N HN 0.403 nan 8.380 nan 0.000 0.426 16 E N 0.010 120.140 120.200 -0.118 0.000 2.047 16 E HA -0.111 4.239 4.350 0.000 0.000 0.191 16 E C 1.867 178.467 176.600 -0.001 0.000 0.987 16 E CA 1.349 57.732 56.400 -0.030 0.000 0.799 16 E CB -0.104 29.567 29.700 -0.049 0.000 0.752 16 E HN 0.397 nan 8.360 nan 0.000 0.449 17 M N -0.227 119.294 119.600 -0.133 0.000 2.067 17 M HA -0.134 4.346 4.480 0.000 0.000 0.260 17 M C 2.265 178.383 176.300 -0.304 0.000 1.069 17 M CA 1.422 56.473 55.300 -0.414 0.000 1.117 17 M CB -0.358 31.841 32.600 -0.668 0.000 1.334 17 M HN 0.159 nan 8.290 nan 0.000 0.407 18 L N -0.190 120.895 121.223 -0.230 0.000 2.083 18 L HA -0.167 4.173 4.340 0.000 0.000 0.209 18 L C 2.738 179.536 176.870 -0.119 0.000 1.083 18 L CA 1.539 56.270 54.840 -0.182 0.000 0.752 18 L CB -1.125 40.848 42.059 -0.144 0.000 0.899 18 L HN 0.444 nan 8.230 nan 0.000 0.433 19 S N -0.126 115.528 115.700 -0.076 0.000 2.442 19 S HA -0.121 4.349 4.470 0.000 0.000 0.236 19 S C 1.920 176.525 174.600 0.009 0.000 1.007 19 S CA 0.556 58.741 58.200 -0.025 0.000 0.965 19 S CB -0.243 62.954 63.200 -0.006 0.000 0.773 19 S HN 0.445 nan 8.310 nan 0.000 0.504 20 R N 0.372 120.868 120.500 -0.006 0.000 2.254 20 R HA 0.311 4.651 4.340 0.000 0.000 0.195 20 R C -0.038 176.288 176.300 0.043 0.000 0.957 20 R CA 0.097 56.241 56.100 0.075 0.000 1.024 20 R CB -0.126 30.268 30.300 0.157 0.000 0.952 20 R HN 0.313 nan 8.270 nan 0.000 0.484 21 V N 2.182 122.005 119.914 -0.151 0.000 2.546 21 V HA 0.113 4.233 4.120 0.000 0.000 0.284 21 V C 0.236 176.355 176.094 0.042 0.000 1.050 21 V CA 0.242 62.461 62.300 -0.134 0.000 0.981 21 V CB 1.707 33.329 31.823 -0.336 0.000 0.990 21 V HN 0.097 nan 8.190 nan 0.000 0.474 22 T N 7.137 121.785 114.554 0.156 0.000 2.770 22 T HA 0.412 4.762 4.350 0.000 0.000 0.283 22 T C -2.510 172.250 174.700 0.100 0.000 0.988 22 T CA -1.038 61.135 62.100 0.121 0.000 0.957 22 T CB 1.518 70.474 68.868 0.148 0.000 0.930 22 T HN 0.461 nan 8.240 nan 0.000 0.443 23 P HA 0.130 nan 4.420 nan 0.000 0.266 23 P C -0.234 177.098 177.300 0.054 0.000 1.195 23 P CA -0.682 62.443 63.100 0.042 0.000 0.768 23 P CB 0.384 32.096 31.700 0.021 0.000 0.838 24 L N 2.590 123.844 121.223 0.052 0.000 2.482 24 L HA 0.120 4.460 4.340 0.000 0.000 0.273 24 L C 1.616 178.507 176.870 0.035 0.000 1.228 24 L CA 1.283 56.153 54.840 0.050 0.000 0.827 24 L CB -0.297 41.789 42.059 0.045 0.000 1.099 24 L HN 0.614 nan 8.230 nan 0.000 0.494 25 T N -2.087 112.487 114.554 0.032 0.000 2.993 25 T HA 0.387 4.737 4.350 0.000 0.000 0.260 25 T C 0.546 175.259 174.700 0.021 0.000 0.939 25 T CA 0.256 62.370 62.100 0.024 0.000 0.886 25 T CB -0.035 68.848 68.868 0.025 0.000 1.209 25 T HN 0.589 nan 8.240 nan 0.000 0.518 26 A N 2.564 125.397 122.820 0.022 0.000 2.540 26 A HA 0.502 4.822 4.320 0.000 0.000 0.239 26 A C 0.356 177.949 177.584 0.016 0.000 1.061 26 A CA -0.190 51.858 52.037 0.019 0.000 0.758 26 A CB -0.082 18.930 19.000 0.020 0.000 0.991 26 A HN 0.764 nan 8.150 nan 0.000 0.502 27 Q N 1.207 121.015 119.800 0.014 0.000 2.528 27 Q HA 0.766 5.106 4.340 0.000 0.000 0.289 27 Q C -1.000 175.006 176.000 0.011 0.000 1.091 27 Q CA -0.934 54.876 55.803 0.012 0.000 0.797 27 Q CB 1.724 30.468 28.738 0.011 0.000 1.466 27 Q HN 0.802 nan 8.270 nan 0.000 0.436 28 E N 0.086 120.292 120.200 0.010 0.000 2.390 28 E HA 0.518 4.868 4.350 0.000 0.000 0.277 28 E C -1.315 175.290 176.600 0.009 0.000 0.939 28 E CA -0.989 55.417 56.400 0.010 0.000 0.769 28 E CB 2.215 31.921 29.700 0.011 0.000 1.251 28 E HN 0.485 nan 8.360 nan 0.000 0.450 29 T N 2.377 116.937 114.554 0.010 0.000 2.771 29 T HA 0.510 4.860 4.350 0.000 0.000 0.281 29 T C -0.426 174.280 174.700 0.010 0.000 0.982 29 T CA -0.483 61.623 62.100 0.010 0.000 0.978 29 T CB 0.257 69.131 68.868 0.010 0.000 0.930 29 T HN 0.298 nan 8.240 nan 0.000 0.447 30 L N 4.517 125.746 121.223 0.010 0.000 2.371 30 L HA 0.568 4.908 4.340 0.000 0.000 0.262 30 L C -2.509 174.368 176.870 0.012 0.000 1.006 30 L CA -2.954 51.892 54.840 0.011 0.000 0.818 30 L CB 2.077 44.143 42.059 0.012 0.000 1.354 30 L HN 0.327 nan 8.230 nan 0.000 0.415 31 P HA 0.131 nan 4.420 nan 0.000 0.269 31 P C 0.842 178.152 177.300 0.016 0.000 1.215 31 P CA -0.280 62.829 63.100 0.015 0.000 0.780 31 P CB 0.663 32.372 31.700 0.015 0.000 0.898 32 L N 2.128 123.360 121.223 0.016 0.000 2.043 32 L HA -0.185 4.155 4.340 0.000 0.000 0.212 32 L C 2.350 179.237 176.870 0.028 0.000 1.075 32 L CA 1.498 56.348 54.840 0.015 0.000 0.752 32 L CB -0.929 41.139 42.059 0.015 0.000 0.891 32 L HN 0.241 nan 8.230 nan 0.000 0.432 33 V N -0.208 119.724 119.914 0.031 0.000 2.828 33 V HA -0.264 3.856 4.120 0.000 0.000 0.260 33 V C 1.914 178.038 176.094 0.050 0.000 1.101 33 V CA 1.726 64.051 62.300 0.041 0.000 1.123 33 V CB -0.293 31.547 31.823 0.028 0.000 0.704 33 V HN 0.567 nan 8.190 nan 0.000 0.493 34 Q N -2.284 117.542 119.800 0.042 0.000 2.247 34 Q HA 0.124 4.464 4.340 0.000 0.000 0.204 34 Q C 1.543 177.576 176.000 0.054 0.000 0.872 34 Q CA 0.247 56.078 55.803 0.046 0.000 0.951 34 Q CB 0.384 29.140 28.738 0.030 0.000 1.099 34 Q HN 0.651 nan 8.270 nan 0.000 0.501 35 C N 0.441 119.773 119.300 0.053 0.000 2.791 35 C HA 0.199 4.659 4.460 0.000 0.000 0.270 35 C C 0.700 175.706 174.990 0.026 0.000 1.257 35 C CA -0.758 58.275 59.018 0.024 0.000 1.699 35 C CB -1.323 26.407 27.740 -0.017 0.000 1.904 35 C HN 0.425 nan 8.230 nan 0.000 0.603 36 F N 1.448 121.381 119.950 -0.029 0.000 2.602 36 F HA 0.406 4.933 4.527 0.000 0.000 0.385 36 F C 1.416 177.198 175.800 -0.029 0.000 1.063 36 F CA 1.931 59.912 58.000 -0.033 0.000 1.233 36 F CB 0.410 39.396 39.000 -0.024 0.000 1.067 36 F HN 0.455 nan 8.300 nan 0.000 0.564 37 G N 3.904 112.501 108.800 -0.339 0.000 2.205 37 G HA2 -0.268 3.692 3.960 0.000 0.000 0.261 37 G HA3 -0.268 3.692 3.960 0.000 0.000 0.261 37 G C 0.409 175.262 174.900 -0.079 0.000 0.980 37 G CA -0.174 44.858 45.100 -0.114 0.000 0.632 37 G HN 0.600 nan 8.290 nan 0.000 0.533 38 R N 0.227 120.679 120.500 -0.080 0.000 2.531 38 R HA 0.523 4.863 4.340 0.000 0.000 0.273 38 R C 0.578 176.829 176.300 -0.080 0.000 1.070 38 R CA -0.787 55.281 56.100 -0.054 0.000 1.112 38 R CB 0.425 30.707 30.300 -0.029 0.000 1.049 38 R HN 0.216 nan 8.270 nan 0.000 0.508 39 I N 3.163 123.701 120.570 -0.053 0.000 2.315 39 I HA 0.186 4.356 4.170 0.000 0.000 0.291 39 I C 0.931 177.024 176.117 -0.040 0.000 1.006 39 I CA -0.779 60.490 61.300 -0.052 0.000 1.265 39 I CB 0.425 38.404 38.000 -0.034 0.000 1.387 39 I HN 0.333 nan 8.210 nan 0.000 0.475 40 L N 5.197 126.392 121.223 -0.046 0.000 2.559 40 L HA -0.043 4.298 4.340 0.000 0.000 0.274 40 L C 1.419 178.285 176.870 -0.006 0.000 1.205 40 L CA 0.087 54.913 54.840 -0.024 0.000 0.907 40 L CB 1.109 43.159 42.059 -0.015 0.000 1.153 40 L HN 0.815 nan 8.230 nan 0.000 0.490 41 A N 3.092 125.913 122.820 0.001 0.000 2.030 41 A HA 0.122 4.442 4.320 0.000 0.000 0.215 41 A C 0.754 178.345 177.584 0.013 0.000 1.164 41 A CA 0.474 52.515 52.037 0.007 0.000 0.697 41 A CB 0.141 19.146 19.000 0.008 0.000 0.827 41 A HN 0.660 nan 8.150 nan 0.000 0.457 42 S N 0.205 115.915 115.700 0.017 0.000 2.569 42 S HA 0.437 4.907 4.470 0.000 0.000 0.280 42 S C -1.647 172.972 174.600 0.032 0.000 1.111 42 S CA -0.976 57.237 58.200 0.022 0.000 0.887 42 S CB 1.340 64.551 63.200 0.019 0.000 1.095 42 S HN 0.279 nan 8.310 nan 0.000 0.476 43 D N 1.350 121.770 120.400 0.033 0.000 2.449 43 D HA 0.190 4.830 4.640 0.000 0.000 0.236 43 D C -0.363 175.968 176.300 0.051 0.000 1.149 43 D CA 0.247 54.274 54.000 0.044 0.000 0.878 43 D CB 0.478 41.294 40.800 0.028 0.000 1.198 43 D HN 0.160 nan 8.370 nan 0.000 0.446 44 V N 2.837 122.798 119.914 0.079 0.000 2.383 44 V HA 0.205 4.325 4.120 0.000 0.000 0.275 44 V C 0.156 176.270 176.094 0.033 0.000 1.036 44 V CA -0.593 61.754 62.300 0.080 0.000 0.889 44 V CB 1.590 33.513 31.823 0.166 0.000 0.985 44 V HN 0.213 nan 8.190 nan 0.000 0.459 45 V N 4.371 124.296 119.914 0.018 0.000 2.417 45 V HA 0.339 4.459 4.120 0.000 0.000 0.291 45 V C 0.489 176.579 176.094 -0.005 0.000 1.024 45 V CA -0.397 61.901 62.300 -0.004 0.000 0.861 45 V CB 1.928 33.750 31.823 -0.001 0.000 0.985 45 V HN 0.869 nan 8.190 nan 0.000 0.436 46 S N 6.942 122.628 115.700 -0.023 0.000 2.516 46 S HA 0.206 4.676 4.470 0.000 0.000 0.282 46 S C -1.107 173.487 174.600 -0.009 0.000 1.286 46 S CA -0.808 57.380 58.200 -0.019 0.000 1.066 46 S CB 0.875 64.051 63.200 -0.039 0.000 0.884 46 S HN 0.691 nan 8.310 nan 0.000 0.491 47 P HA 0.182 nan 4.420 nan 0.000 0.245 47 P C -0.493 176.810 177.300 0.005 0.000 1.206 47 P CA 0.225 63.328 63.100 0.004 0.000 0.781 47 P CB -0.187 31.520 31.700 0.010 0.000 0.994 48 L N -4.187 117.036 121.223 0.000 0.000 2.403 48 L HA 0.676 5.016 4.340 0.000 0.000 0.253 48 L C -0.693 176.171 176.870 -0.010 0.000 1.045 48 L CA -1.200 53.641 54.840 0.002 0.000 0.845 48 L CB 0.215 42.281 42.059 0.011 0.000 1.447 48 L HN -0.414 nan 8.230 nan 0.000 0.411 49 D N 0.534 120.928 120.400 -0.009 0.000 2.304 49 D HA 0.568 5.208 4.640 0.000 0.000 0.247 49 D C -0.892 175.383 176.300 -0.042 0.000 1.089 49 D CA 0.082 54.069 54.000 -0.022 0.000 0.910 49 D CB 2.321 43.114 40.800 -0.013 0.000 1.199 49 D HN 0.383 nan 8.370 nan 0.000 0.426 50 V N 4.045 123.925 119.914 -0.056 0.000 2.623 50 V HA 0.271 4.391 4.120 0.000 0.000 0.304 50 V C -2.207 173.836 176.094 -0.086 0.000 1.054 50 V CA -1.526 60.725 62.300 -0.081 0.000 0.882 50 V CB 2.355 34.135 31.823 -0.071 0.000 1.002 50 V HN 0.423 nan 8.190 nan 0.000 0.424 51 P HA 0.151 nan 4.420 nan 0.000 0.273 51 P C 0.899 178.071 177.300 -0.214 0.000 1.250 51 P CA 0.077 63.051 63.100 -0.209 0.000 0.793 51 P CB 1.050 32.572 31.700 -0.297 0.000 1.011 52 G N -0.202 108.415 108.800 -0.306 0.000 2.572 52 G HA2 0.135 4.095 3.960 0.000 0.000 0.216 52 G HA3 0.135 4.095 3.960 0.000 0.000 0.216 52 G C -0.007 174.899 174.900 0.009 0.000 1.133 52 G CA 0.286 45.310 45.100 -0.126 0.000 0.791 52 G HN 0.609 nan 8.290 nan 0.000 0.538 53 F N -1.917 118.041 119.950 0.014 0.000 2.678 53 F HA 0.496 5.023 4.527 0.000 0.000 0.308 53 F C -1.626 174.187 175.800 0.022 0.000 1.118 53 F CA -2.407 55.607 58.000 0.022 0.000 0.959 53 F CB 0.362 39.379 39.000 0.027 0.000 1.305 53 F HN -0.305 nan 8.300 nan 0.000 0.443 54 D N 2.858 123.395 120.400 0.228 0.000 2.487 54 D HA 0.182 4.822 4.640 0.000 0.000 0.243 54 D C -0.334 176.110 176.300 0.241 0.000 1.154 54 D CA 0.615 54.704 54.000 0.148 0.000 0.876 54 D CB 0.360 41.241 40.800 0.134 0.000 1.161 54 D HN 0.736 nan 8.370 nan 0.000 0.478 55 N N -0.370 118.408 118.700 0.131 0.000 2.647 55 N HA 0.241 4.981 4.740 0.000 0.000 0.266 55 N C -1.029 174.551 175.510 0.117 0.000 1.373 55 N CA -0.775 52.377 53.050 0.171 0.000 0.807 55 N CB 1.459 40.028 38.487 0.136 0.000 1.513 55 N HN 0.144 nan 8.380 nan 0.000 0.505 56 S N -0.903 114.875 115.700 0.131 0.000 2.545 56 S HA 0.444 4.914 4.470 0.000 0.000 0.275 56 S C 1.155 175.882 174.600 0.212 0.000 1.299 56 S CA -0.072 58.207 58.200 0.133 0.000 1.048 56 S CB 0.439 63.702 63.200 0.106 0.000 0.938 56 S HN 0.691 nan 8.310 nan 0.000 0.496 57 A N 5.133 128.055 122.820 0.169 0.000 2.119 57 A HA 0.207 4.527 4.320 0.000 0.000 0.217 57 A C 0.878 178.560 177.584 0.163 0.000 1.153 57 A CA 1.079 53.233 52.037 0.195 0.000 0.692 57 A CB -0.449 18.603 19.000 0.088 0.000 0.799 57 A HN 0.942 nan 8.150 nan 0.000 0.458 58 M N -2.780 116.888 119.600 0.112 0.000 3.147 58 M HA 0.315 4.795 4.480 0.000 0.000 0.276 58 M C -2.643 173.669 176.300 0.019 0.000 1.211 58 M CA -0.732 54.523 55.300 -0.075 0.000 0.820 58 M CB 0.284 32.749 32.600 -0.226 0.000 1.621 58 M HN -0.046 nan 8.290 nan 0.000 0.507 59 D N 1.114 121.495 120.400 -0.031 0.000 2.383 59 D HA 0.578 5.218 4.640 0.000 0.000 0.252 59 D C 0.376 176.597 176.300 -0.133 0.000 1.166 59 D CA 1.064 55.034 54.000 -0.051 0.000 0.879 59 D CB 1.403 42.179 40.800 -0.040 0.000 1.164 59 D HN 0.829 nan 8.370 nan 0.000 0.462 60 G N 1.472 110.130 108.800 -0.236 0.000 2.725 60 G HA2 0.271 4.231 3.960 0.000 0.000 0.098 60 G HA3 0.271 4.231 3.960 0.000 0.000 0.098 60 G C -1.810 172.744 174.900 -0.575 0.000 1.188 60 G CA -0.503 44.417 45.100 -0.300 0.000 1.237 60 G HN 0.413 nan 8.290 nan 0.000 0.596 61 Y N 0.355 120.699 120.300 0.073 0.000 2.470 61 Y HA 0.664 5.214 4.550 0.000 0.000 0.341 61 Y C 0.299 176.210 175.900 0.018 0.000 1.021 61 Y CA -0.412 57.726 58.100 0.064 0.000 1.025 61 Y CB 2.476 41.090 38.460 0.257 0.000 1.266 61 Y HN 0.740 nan 8.280 nan 0.000 0.448 62 A N 3.009 125.861 122.820 0.053 0.000 2.362 62 A HA 0.687 5.007 4.320 0.000 0.000 0.276 62 A C -0.248 177.401 177.584 0.108 0.000 1.153 62 A CA -0.263 51.766 52.037 -0.014 0.000 0.813 62 A CB -0.183 18.666 19.000 -0.253 0.000 1.081 62 A HN 0.839 nan 8.150 nan 0.000 0.507 63 V N 0.693 120.708 119.914 0.169 0.000 3.156 63 V HA 0.856 4.976 4.120 0.000 0.000 0.311 63 V C -0.424 175.778 176.094 0.179 0.000 1.208 63 V CA -1.266 61.137 62.300 0.173 0.000 1.063 63 V CB 1.801 33.470 31.823 -0.257 0.000 1.098 63 V HN 0.880 nan 8.190 nan 0.000 0.452 64 R N 0.199 120.721 120.500 0.036 0.000 2.621 64 R HA 0.622 4.962 4.340 0.000 0.000 0.292 64 R C 0.855 177.100 176.300 -0.092 0.000 0.969 64 R CA -0.752 55.310 56.100 -0.064 0.000 0.887 64 R CB 1.962 32.137 30.300 -0.210 0.000 1.180 64 R HN 0.833 nan 8.270 nan 0.000 0.450 65 L N 1.670 122.846 121.223 -0.077 0.000 2.081 65 L HA -0.277 4.063 4.340 0.000 0.000 0.212 65 L C 2.177 179.004 176.870 -0.072 0.000 1.080 65 L CA 1.989 56.786 54.840 -0.073 0.000 0.754 65 L CB -0.544 41.484 42.059 -0.051 0.000 0.893 65 L HN 0.826 nan 8.230 nan 0.000 0.433 66 A N -0.015 122.759 122.820 -0.076 0.000 1.877 66 A HA -0.222 4.098 4.320 0.000 0.000 0.216 66 A C 1.927 179.474 177.584 -0.061 0.000 1.186 66 A CA 1.898 53.896 52.037 -0.066 0.000 0.620 66 A CB -0.511 18.444 19.000 -0.075 0.000 0.822 66 A HN 0.374 nan 8.150 nan 0.000 0.443 67 D N 0.239 120.594 120.400 -0.075 0.000 2.123 67 D HA -0.153 4.487 4.640 0.000 0.000 0.196 67 D C 1.927 178.202 176.300 -0.041 0.000 0.992 67 D CA 1.187 55.157 54.000 -0.050 0.000 0.833 67 D CB -0.349 40.425 40.800 -0.043 0.000 0.954 67 D HN 0.336 nan 8.370 nan 0.000 0.455 68 I N 1.453 121.967 120.570 -0.093 0.000 2.179 68 I HA -0.221 3.949 4.170 0.000 0.000 0.242 68 I C 2.589 178.691 176.117 -0.025 0.000 1.088 68 I CA 0.748 61.991 61.300 -0.096 0.000 1.357 68 I CB -1.346 36.550 38.000 -0.173 0.000 1.051 68 I HN -0.109 nan 8.210 nan 0.000 0.409 69 A N 1.199 124.000 122.820 -0.033 0.000 1.917 69 A HA -0.293 4.027 4.320 0.000 0.000 0.219 69 A C 2.595 180.177 177.584 -0.004 0.000 1.182 69 A CA 2.869 54.897 52.037 -0.016 0.000 0.633 69 A CB -1.057 17.929 19.000 -0.023 0.000 0.819 69 A HN 0.575 nan 8.150 nan 0.000 0.448 70 S N -1.286 114.411 115.700 -0.005 0.000 2.393 70 S HA 0.007 4.477 4.470 0.000 0.000 0.235 70 S C 1.905 176.513 174.600 0.015 0.000 1.061 70 S CA 2.788 60.990 58.200 0.003 0.000 1.129 70 S CB -0.953 62.251 63.200 0.006 0.000 1.011 70 S HN 2.207 nan 8.310 nan 0.000 0.436 71 G N 0.644 109.462 108.800 0.030 0.000 2.278 71 G HA2 -0.170 3.790 3.960 0.000 0.000 0.210 71 G HA3 -0.170 3.790 3.960 0.000 0.000 0.210 71 G C -0.042 174.884 174.900 0.043 0.000 1.000 71 G CA 0.115 45.237 45.100 0.037 0.000 0.635 71 G HN 0.940 nan 8.290 nan 0.000 0.495 72 Q N 1.337 121.160 119.800 0.038 0.000 2.260 72 Q HA 0.560 4.900 4.340 0.000 0.000 0.242 72 Q C -2.709 173.321 176.000 0.049 0.000 0.932 72 Q CA -1.983 53.839 55.803 0.032 0.000 0.891 72 Q CB 0.933 29.684 28.738 0.021 0.000 1.222 72 Q HN 0.206 nan 8.270 nan 0.000 0.453 73 P HA 0.001 nan 4.420 nan 0.000 0.269 73 P C -0.898 176.423 177.300 0.034 0.000 1.211 73 P CA 0.306 63.406 63.100 0.001 0.000 0.781 73 P CB 0.367 32.040 31.700 -0.046 0.000 0.877 74 L N 2.971 124.220 121.223 0.043 0.000 2.343 74 L HA 0.441 4.781 4.340 0.000 0.000 0.278 74 L C -2.376 174.502 176.870 0.013 0.000 0.996 74 L CA -2.590 52.300 54.840 0.083 0.000 0.831 74 L CB 1.813 44.005 42.059 0.223 0.000 1.232 74 L HN 0.148 nan 8.230 nan 0.000 0.413 75 P HA 0.019 nan 4.420 nan 0.000 0.269 75 P C -0.430 176.873 177.300 0.005 0.000 1.215 75 P CA -0.248 62.852 63.100 -0.000 0.000 0.780 75 P CB 0.688 32.402 31.700 0.023 0.000 0.898 76 V N 2.297 122.201 119.914 -0.017 0.000 2.427 76 V HA 0.217 4.337 4.120 0.000 0.000 0.268 76 V C 1.404 177.486 176.094 -0.020 0.000 1.046 76 V CA 0.465 62.752 62.300 -0.021 0.000 0.970 76 V CB 0.120 31.944 31.823 0.002 0.000 1.001 76 V HN 0.695 nan 8.190 nan 0.000 0.476 77 A N 3.977 126.762 122.820 -0.058 0.000 2.218 77 A HA 0.659 4.979 4.320 0.000 0.000 0.209 77 A C 1.053 178.586 177.584 -0.085 0.000 1.168 77 A CA 0.786 52.812 52.037 -0.019 0.000 0.804 77 A CB -0.068 18.979 19.000 0.077 0.000 0.834 77 A HN 1.261 nan 8.150 nan 0.000 0.482 78 G N -1.178 107.460 108.800 -0.270 0.000 2.327 78 G HA2 0.454 4.414 3.960 0.000 0.000 0.291 78 G HA3 0.454 4.414 3.960 0.000 0.000 0.291 78 G C -1.751 172.883 174.900 -0.443 0.000 1.290 78 G CA -0.807 44.129 45.100 -0.275 0.000 0.857 78 G HN 0.194 nan 8.290 nan 0.000 0.520 79 K N -0.802 119.406 120.400 -0.321 0.000 2.482 79 K HA 0.787 5.108 4.320 0.000 0.000 0.257 79 K C -0.899 175.457 176.600 -0.406 0.000 0.969 79 K CA -0.814 55.201 56.287 -0.454 0.000 0.842 79 K CB 2.322 34.478 32.500 -0.573 0.000 1.359 79 K HN 0.627 nan 8.250 nan 0.000 0.441 80 S N 1.576 116.962 115.700 -0.524 0.000 2.659 80 S HA 0.633 5.103 4.470 0.000 0.000 0.312 80 S C -1.400 172.958 174.600 -0.403 0.000 1.114 80 S CA -0.688 57.311 58.200 -0.335 0.000 1.063 80 S CB 0.080 63.144 63.200 -0.226 0.000 0.996 80 S HN 0.446 nan 8.310 nan 0.000 0.478 81 F N 2.358 122.286 119.950 -0.036 0.000 2.497 81 F HA 0.613 5.140 4.527 0.000 0.000 0.331 81 F C 1.603 177.389 175.800 -0.022 0.000 1.060 81 F CA -0.713 57.273 58.000 -0.023 0.000 0.989 81 F CB 1.204 40.194 39.000 -0.017 0.000 1.245 81 F HN 0.705 nan 8.300 nan 0.000 0.486 82 A N 1.451 124.409 122.820 0.230 0.000 1.859 82 A HA -0.183 4.137 4.320 0.000 0.000 0.218 82 A C 2.256 179.889 177.584 0.082 0.000 1.209 82 A CA 2.495 54.603 52.037 0.118 0.000 0.639 82 A CB -1.639 17.407 19.000 0.075 0.000 0.835 82 A HN 0.985 nan 8.150 nan 0.000 0.450 83 G N -0.993 107.853 108.800 0.076 0.000 2.402 83 G HA2 0.118 4.078 3.960 0.000 0.000 0.216 83 G HA3 0.118 4.078 3.960 0.000 0.000 0.216 83 G C 0.611 175.531 174.900 0.032 0.000 1.162 83 G CA 0.989 46.112 45.100 0.040 0.000 0.777 83 G HN 0.737 nan 8.290 nan 0.000 0.539 84 Q N 1.155 121.000 119.800 0.075 0.000 2.339 84 Q HA 0.458 4.798 4.340 0.000 0.000 0.268 84 Q C -2.616 173.379 176.000 -0.008 0.000 1.027 84 Q CA -2.392 53.438 55.803 0.046 0.000 0.759 84 Q CB 2.694 31.484 28.738 0.088 0.000 1.244 84 Q HN 0.106 nan 8.270 nan 0.000 0.464 85 P HA -0.071 nan 4.420 nan 0.000 0.296 85 P C -1.187 175.938 177.300 -0.292 0.000 1.295 85 P CA -0.231 62.720 63.100 -0.249 0.000 0.754 85 P CB 0.465 31.937 31.700 -0.380 0.000 1.311 86 Y N -0.948 119.052 120.300 -0.500 0.000 2.331 86 Y HA 0.354 4.904 4.550 0.000 0.000 0.334 86 Y C 0.205 175.845 175.900 -0.435 0.000 0.960 86 Y CA -0.261 57.605 58.100 -0.391 0.000 1.130 86 Y CB 1.035 39.317 38.460 -0.295 0.000 1.164 86 Y HN 0.331 nan 8.280 nan 0.000 0.458 87 H N 3.525 122.263 119.070 -0.553 0.000 2.475 87 H HA 0.309 4.865 4.556 -0.000 0.000 0.276 87 H C 0.977 175.974 175.328 -0.551 0.000 1.126 87 H CA -0.136 55.675 56.048 -0.396 0.000 1.023 87 H CB 0.634 30.276 29.762 -0.200 0.000 1.669 87 H HN 0.864 nan 8.280 nan 0.000 0.573 88 G N 0.630 108.706 108.800 -1.206 0.000 2.441 88 G HA2 -0.038 3.922 3.960 0.000 0.000 0.258 88 G HA3 -0.038 3.922 3.960 0.000 0.000 0.258 88 G C 0.638 175.483 174.900 -0.091 0.000 1.487 88 G CA -0.074 44.630 45.100 -0.661 0.000 1.058 88 G HN 0.269 nan 8.290 nan 0.000 0.552 89 E N -2.501 117.797 120.200 0.163 0.000 2.201 89 E HA 0.097 4.447 4.350 0.000 0.000 0.193 89 E C 0.116 176.961 176.600 0.409 0.000 0.957 89 E CA -0.191 56.346 56.400 0.228 0.000 0.858 89 E CB 0.121 29.917 29.700 0.159 0.000 0.816 89 E HN 0.407 nan 8.360 nan 0.000 0.475 90 W N 2.627 124.081 121.300 0.257 0.000 4.140 90 W HA -0.136 4.524 4.660 0.000 0.000 0.438 90 W C -2.466 174.106 176.519 0.089 0.000 1.796 90 W CA -0.522 56.924 57.345 0.169 0.000 0.662 90 W CB -1.439 28.128 29.460 0.179 0.000 2.887 90 W HN 0.030 nan 8.180 nan 0.000 0.780 91 P HA 0.591 nan 4.420 nan 0.000 0.278 91 P C -0.085 177.207 177.300 -0.013 0.000 1.266 91 P CA 0.124 63.273 63.100 0.083 0.000 0.807 91 P CB 0.530 32.290 31.700 0.100 0.000 1.094 92 A N 0.167 122.949 122.820 -0.064 0.000 2.507 92 A HA 0.399 4.719 4.320 0.000 0.000 0.235 92 A C 1.458 179.030 177.584 -0.019 0.000 1.070 92 A CA 0.775 52.758 52.037 -0.090 0.000 0.768 92 A CB -1.532 17.425 19.000 -0.071 0.000 1.011 92 A HN 0.968 nan 8.150 nan 0.000 0.502 93 G N 0.310 109.100 108.800 -0.017 0.000 2.189 93 G HA2 -0.158 3.802 3.960 0.000 0.000 0.267 93 G HA3 -0.158 3.802 3.960 0.000 0.000 0.267 93 G C 0.513 175.468 174.900 0.091 0.000 0.975 93 G CA 1.521 46.640 45.100 0.032 0.000 0.644 93 G HN 2.293 nan 8.290 nan 0.000 0.537 94 T N -2.347 112.300 114.554 0.156 0.000 2.940 94 T HA 0.738 5.088 4.350 0.000 0.000 0.288 94 T C 0.405 175.362 174.700 0.428 0.000 1.045 94 T CA -0.136 62.112 62.100 0.247 0.000 1.018 94 T CB 2.540 71.569 68.868 0.268 0.000 1.151 94 T HN 1.613 nan 8.240 nan 0.000 0.529 95 C N 0.340 119.812 119.300 0.286 0.000 2.848 95 C HA 0.878 5.338 4.460 0.000 0.000 0.317 95 C C -0.666 174.272 174.990 -0.087 0.000 1.260 95 C CA -1.205 57.960 59.018 0.244 0.000 1.656 95 C CB 0.028 27.938 27.740 0.284 0.000 2.174 95 C HN 0.973 nan 8.230 nan 0.000 0.479 96 I N 2.029 122.417 120.570 -0.302 0.000 2.406 96 I HA 0.412 4.582 4.170 0.000 0.000 0.290 96 I C 0.052 176.045 176.117 -0.208 0.000 0.999 96 I CA -0.398 60.586 61.300 -0.527 0.000 1.124 96 I CB 1.532 38.856 38.000 -1.126 0.000 1.289 96 I HN 0.796 nan 8.210 nan 0.000 0.441 97 R N 6.794 127.202 120.500 -0.154 0.000 2.449 97 R HA 0.402 4.742 4.340 0.000 0.000 0.296 97 R C -1.219 174.852 176.300 -0.382 0.000 1.047 97 R CA 0.536 56.507 56.100 -0.216 0.000 1.018 97 R CB 0.296 30.488 30.300 -0.181 0.000 0.962 97 R HN 0.670 nan 8.270 nan 0.000 0.428 98 I N 5.207 125.551 120.570 -0.378 0.000 2.582 98 I HA 0.337 4.507 4.170 0.000 0.000 0.292 98 I C -1.048 174.951 176.117 -0.196 0.000 1.066 98 I CA -1.107 60.023 61.300 -0.284 0.000 1.053 98 I CB 1.634 39.522 38.000 -0.186 0.000 1.241 98 I HN 0.598 nan 8.210 nan 0.000 0.421 99 M N 5.927 125.461 119.600 -0.111 0.000 2.409 99 M HA 0.186 4.666 4.480 0.000 0.000 0.329 99 M C -0.713 175.684 176.300 0.161 0.000 1.180 99 M CA -0.531 54.798 55.300 0.048 0.000 1.053 99 M CB 0.806 33.496 32.600 0.150 0.000 1.586 99 M HN 0.618 nan 8.290 nan 0.000 0.461 100 W N 2.573 123.869 121.300 -0.006 0.000 2.435 100 W HA 0.256 4.916 4.660 0.000 0.000 0.337 100 W C 1.075 177.616 176.519 0.036 0.000 1.300 100 W CA 2.117 59.467 57.345 0.009 0.000 1.298 100 W CB -0.276 29.190 29.460 0.010 0.000 1.217 100 W HN 0.976 nan 8.180 nan 0.000 0.565 101 G N 3.327 112.187 108.800 0.100 0.000 2.179 101 G HA2 -0.111 3.849 3.960 0.000 0.000 0.260 101 G HA3 -0.111 3.849 3.960 0.000 0.000 0.260 101 G C 0.291 175.253 174.900 0.103 0.000 0.977 101 G CA 0.230 45.294 45.100 -0.060 0.000 0.641 101 G HN 1.356 nan 8.290 nan 0.000 0.533 102 A N 0.796 123.693 122.820 0.128 0.000 2.322 102 A HA 0.726 5.046 4.320 0.000 0.000 0.269 102 A C -1.859 175.835 177.584 0.184 0.000 1.094 102 A CA -1.009 51.107 52.037 0.132 0.000 0.807 102 A CB 0.515 19.540 19.000 0.043 0.000 1.047 102 A HN 0.158 nan 8.150 nan 0.000 0.487 103 P HA 0.223 nan 4.420 nan 0.000 0.271 103 P C 0.067 177.401 177.300 0.056 0.000 1.220 103 P CA -0.066 63.108 63.100 0.124 0.000 0.768 103 P CB 0.438 31.980 31.700 -0.263 0.000 0.848 104 V N 2.518 122.497 119.914 0.108 0.000 2.843 104 V HA 0.347 4.467 4.120 0.000 0.000 0.305 104 V C -1.978 174.142 176.094 0.043 0.000 1.065 104 V CA -1.539 60.792 62.300 0.051 0.000 1.116 104 V CB -0.442 31.434 31.823 0.089 0.000 0.968 104 V HN 0.446 nan 8.190 nan 0.000 0.487 105 P HA 0.252 nan 4.420 nan 0.000 0.276 105 P C -0.322 177.122 177.300 0.241 0.000 1.244 105 P CA -0.523 62.622 63.100 0.076 0.000 0.801 105 P CB 0.591 32.245 31.700 -0.077 0.000 1.006 106 E N 0.061 120.425 120.200 0.273 0.000 2.480 106 E HA 0.177 4.527 4.350 0.000 0.000 0.258 106 E C 1.049 177.852 176.600 0.339 0.000 0.984 106 E CA 1.107 57.664 56.400 0.261 0.000 0.930 106 E CB -0.549 29.279 29.700 0.214 0.000 0.936 106 E HN 0.795 nan 8.360 nan 0.000 0.466 107 G N 3.177 112.109 108.800 0.220 0.000 2.195 107 G HA2 -0.318 3.642 3.960 0.000 0.000 0.246 107 G HA3 -0.318 3.642 3.960 0.000 0.000 0.246 107 G C 0.394 175.398 174.900 0.173 0.000 0.984 107 G CA -0.045 45.129 45.100 0.123 0.000 0.633 107 G HN 0.757 nan 8.290 nan 0.000 0.525 108 C N 1.404 120.932 119.300 0.379 0.000 2.633 108 C HA 0.510 4.970 4.460 0.000 0.000 0.415 108 C C 1.679 176.777 174.990 0.181 0.000 1.393 108 C CA 0.976 60.226 59.018 0.388 0.000 1.700 108 C CB -0.196 27.712 27.740 0.279 0.000 2.541 108 C HN 0.566 nan 8.230 nan 0.000 0.603 109 E N 3.047 123.328 120.200 0.136 0.000 2.473 109 E HA 0.379 4.729 4.350 0.000 0.000 0.204 109 E C 0.387 177.016 176.600 0.048 0.000 0.994 109 E CA 0.408 56.844 56.400 0.060 0.000 0.945 109 E CB 0.596 30.304 29.700 0.013 0.000 0.990 109 E HN 0.837 nan 8.360 nan 0.000 0.493 110 A N 0.192 123.049 122.820 0.063 0.000 2.544 110 A HA 0.557 4.877 4.320 0.000 0.000 0.291 110 A C -1.707 175.904 177.584 0.046 0.000 1.055 110 A CA -0.579 51.480 52.037 0.037 0.000 0.651 110 A CB 1.428 20.429 19.000 0.001 0.000 1.296 110 A HN -0.045 nan 8.150 nan 0.000 0.431 111 V N 0.849 120.787 119.914 0.041 0.000 2.623 111 V HA 0.615 4.735 4.120 0.000 0.000 0.304 111 V C -0.367 175.768 176.094 0.068 0.000 1.054 111 V CA -0.303 62.031 62.300 0.056 0.000 0.882 111 V CB 1.566 33.419 31.823 0.051 0.000 1.002 111 V HN 1.705 nan 8.190 nan 0.000 0.424 112 V N 4.756 124.745 119.914 0.125 0.000 2.547 112 V HA 0.717 4.837 4.120 0.000 0.000 0.299 112 V C 0.100 176.296 176.094 0.170 0.000 1.040 112 V CA -0.847 61.551 62.300 0.163 0.000 0.913 112 V CB 1.752 33.732 31.823 0.263 0.000 0.992 112 V HN 0.970 nan 8.190 nan 0.000 0.449 113 M N 2.604 122.267 119.600 0.104 0.000 2.240 113 M HA 0.389 4.869 4.480 0.000 0.000 0.333 113 M C 0.895 177.244 176.300 0.081 0.000 1.110 113 M CA 0.055 55.384 55.300 0.049 0.000 1.173 113 M CB 0.282 32.885 32.600 0.005 0.000 1.458 113 M HN 0.776 nan 8.290 nan 0.000 0.458 114 Q N 1.283 121.096 119.800 0.022 0.000 2.062 114 Q HA -0.228 4.112 4.340 0.000 0.000 0.209 114 Q C 1.774 177.808 176.000 0.057 0.000 0.996 114 Q CA 2.475 58.305 55.803 0.046 0.000 0.859 114 Q CB -0.360 28.368 28.738 -0.017 0.000 0.920 114 Q HN 0.836 nan 8.270 nan 0.000 0.415 115 E N 0.882 121.096 120.200 0.024 0.000 2.219 115 E HA -0.233 4.118 4.350 0.000 0.000 0.198 115 E C 1.008 177.624 176.600 0.027 0.000 0.998 115 E CA 1.226 57.636 56.400 0.016 0.000 0.818 115 E CB -0.334 29.366 29.700 -0.000 0.000 0.741 115 E HN 0.581 nan 8.360 nan 0.000 0.477 116 Q N 1.042 120.875 119.800 0.055 0.000 2.212 116 Q HA 0.090 4.430 4.340 0.000 0.000 0.213 116 Q C 0.003 176.041 176.000 0.064 0.000 0.874 116 Q CA 0.264 56.108 55.803 0.067 0.000 0.965 116 Q CB 0.498 29.295 28.738 0.098 0.000 1.074 116 Q HN 0.268 nan 8.270 nan 0.000 0.473 117 T N -2.890 111.670 114.554 0.010 0.000 2.848 117 T HA 0.395 4.745 4.350 0.000 0.000 0.285 117 T C -0.809 173.812 174.700 -0.133 0.000 0.995 117 T CA -0.848 61.171 62.100 -0.137 0.000 0.970 117 T CB 2.424 71.175 68.868 -0.196 0.000 0.976 117 T HN 0.033 nan 8.240 nan 0.000 0.441 118 E N 2.194 122.283 120.200 -0.185 0.000 2.134 118 E HA 0.244 4.595 4.350 0.000 0.000 0.278 118 E C -0.440 176.061 176.600 -0.167 0.000 0.959 118 E CA -0.667 55.656 56.400 -0.129 0.000 0.783 118 E CB 1.194 30.838 29.700 -0.095 0.000 1.095 118 E HN 0.667 nan 8.360 nan 0.000 0.399 119 Q N 3.689 123.420 119.800 -0.114 0.000 2.311 119 Q HA 0.139 4.479 4.340 0.000 0.000 0.272 119 Q C -1.020 174.922 176.000 -0.097 0.000 1.012 119 Q CA 0.435 56.172 55.803 -0.110 0.000 0.891 119 Q CB 0.558 29.262 28.738 -0.056 0.000 1.201 119 Q HN 0.447 nan 8.270 nan 0.000 0.391 120 M N 1.779 121.315 119.600 -0.107 0.000 2.819 120 M HA 0.300 4.780 4.480 0.000 0.000 0.300 120 M C 0.085 176.351 176.300 -0.056 0.000 1.237 120 M CA -0.619 54.634 55.300 -0.078 0.000 0.813 120 M CB 1.576 34.124 32.600 -0.086 0.000 1.755 120 M HN 0.772 nan 8.290 nan 0.000 0.484 121 D N -0.054 120.321 120.400 -0.040 0.000 2.194 121 D HA -0.045 4.595 4.640 0.000 0.000 0.204 121 D C 0.042 176.327 176.300 -0.025 0.000 0.964 121 D CA 0.766 54.749 54.000 -0.027 0.000 0.846 121 D CB -0.323 40.466 40.800 -0.019 0.000 0.962 121 D HN 0.604 nan 8.370 nan 0.000 0.490 122 N N 0.637 119.319 118.700 -0.029 0.000 2.699 122 N HA 0.347 5.088 4.740 0.000 0.000 0.317 122 N C 0.608 176.098 175.510 -0.033 0.000 1.661 122 N CA -0.159 52.877 53.050 -0.022 0.000 0.979 122 N CB 0.811 39.291 38.487 -0.013 0.000 1.329 122 N HN 0.230 nan 8.380 nan 0.000 0.497 123 G N -0.931 107.837 108.800 -0.053 0.000 2.422 123 G HA2 0.008 3.968 3.960 0.000 0.000 0.607 123 G HA3 0.008 3.968 3.960 0.000 0.000 0.607 123 G C -1.389 173.415 174.900 -0.160 0.000 1.270 123 G CA -0.430 44.619 45.100 -0.084 0.000 0.992 123 G HN 0.786 nan 8.290 nan 0.000 0.499 124 V N 0.157 119.907 119.914 -0.272 0.000 2.532 124 V HA 0.866 4.986 4.120 0.000 0.000 0.295 124 V C 0.616 176.385 176.094 -0.543 0.000 1.041 124 V CA -0.667 61.348 62.300 -0.474 0.000 0.926 124 V CB 1.532 32.848 31.823 -0.845 0.000 0.992 124 V HN 0.993 nan 8.190 nan 0.000 0.457 125 R N 4.194 124.400 120.500 -0.490 0.000 2.428 125 R HA 0.501 4.841 4.340 0.000 0.000 0.294 125 R C -1.528 174.439 176.300 -0.554 0.000 1.000 125 R CA -0.490 55.392 56.100 -0.363 0.000 0.960 125 R CB 1.228 31.425 30.300 -0.172 0.000 1.076 125 R HN 0.748 nan 8.270 nan 0.000 0.475 126 F N 2.066 121.989 119.950 -0.045 0.000 2.347 126 F HA 0.138 4.665 4.527 0.000 0.000 0.366 126 F C 1.634 177.429 175.800 -0.009 0.000 1.107 126 F CA -0.438 57.549 58.000 -0.021 0.000 1.058 126 F CB 1.909 40.901 39.000 -0.014 0.000 1.236 126 F HN 0.641 nan 8.300 nan 0.000 0.456 127 T N 0.581 115.196 114.554 0.102 0.000 2.668 127 T HA 0.132 4.482 4.350 0.000 0.000 0.258 127 T C 1.208 175.956 174.700 0.079 0.000 1.051 127 T CA 0.641 62.780 62.100 0.066 0.000 1.155 127 T CB -0.241 68.645 68.868 0.030 0.000 0.864 127 T HN 0.472 nan 8.240 nan 0.000 0.413 128 A N 1.346 124.220 122.820 0.090 0.000 2.310 128 A HA 0.440 4.760 4.320 0.000 0.000 0.260 128 A C 0.296 177.921 177.584 0.069 0.000 1.112 128 A CA -0.553 51.526 52.037 0.070 0.000 0.804 128 A CB -0.080 18.958 19.000 0.063 0.000 1.081 128 A HN 0.689 nan 8.150 nan 0.000 0.499 129 E N -0.483 119.743 120.200 0.044 0.000 2.383 129 E HA 0.400 4.750 4.350 0.000 0.000 0.264 129 E C -1.290 175.325 176.600 0.025 0.000 1.050 129 E CA -0.225 56.193 56.400 0.029 0.000 0.896 129 E CB 0.593 30.304 29.700 0.019 0.000 0.982 129 E HN 0.295 nan 8.360 nan 0.000 0.424 130 V N 5.707 125.624 119.914 0.006 0.000 2.407 130 V HA 0.340 4.461 4.120 0.000 0.000 0.291 130 V C -0.061 176.026 176.094 -0.012 0.000 1.018 130 V CA -0.681 61.613 62.300 -0.009 0.000 0.842 130 V CB 1.390 33.181 31.823 -0.053 0.000 0.996 130 V HN 0.671 nan 8.190 nan 0.000 0.426 131 R N 2.338 122.836 120.500 -0.003 0.000 2.404 131 R HA 0.432 4.772 4.340 0.000 0.000 0.291 131 R C 0.411 176.710 176.300 -0.002 0.000 1.025 131 R CA -0.360 55.739 56.100 -0.002 0.000 0.991 131 R CB 1.700 32.002 30.300 0.004 0.000 1.053 131 R HN 0.717 nan 8.270 nan 0.000 0.479 132 S N 0.910 116.608 115.700 -0.003 0.000 2.563 132 S HA 0.066 4.536 4.470 0.000 0.000 0.294 132 S C 1.349 175.954 174.600 0.008 0.000 1.279 132 S CA 1.094 59.294 58.200 -0.000 0.000 1.069 132 S CB 0.095 63.294 63.200 -0.001 0.000 0.828 132 S HN 0.856 nan 8.310 nan 0.000 0.497 133 G N 3.238 112.047 108.800 0.015 0.000 2.189 133 G HA2 -0.336 3.624 3.960 0.000 0.000 0.267 133 G HA3 -0.336 3.624 3.960 0.000 0.000 0.267 133 G C 0.096 175.011 174.900 0.025 0.000 0.975 133 G CA 0.707 45.821 45.100 0.023 0.000 0.644 133 G HN 1.333 nan 8.290 nan 0.000 0.537 134 Q N -0.189 119.623 119.800 0.020 0.000 2.315 134 Q HA 0.353 4.693 4.340 0.000 0.000 0.289 134 Q C 0.771 176.789 176.000 0.030 0.000 1.044 134 Q CA 0.679 56.495 55.803 0.022 0.000 0.920 134 Q CB -0.186 28.562 28.738 0.017 0.000 1.214 134 Q HN 0.600 nan 8.270 nan 0.000 0.392 135 N N 0.954 119.673 118.700 0.031 0.000 2.708 135 N HA -0.195 4.545 4.740 0.000 0.000 0.251 135 N C -1.168 174.374 175.510 0.053 0.000 1.123 135 N CA 0.754 53.827 53.050 0.039 0.000 0.739 135 N CB -1.161 37.348 38.487 0.036 0.000 1.113 135 N HN 0.596 nan 8.380 nan 0.000 0.561 136 I N 0.834 121.433 120.570 0.049 0.000 2.328 136 I HA 0.224 4.394 4.170 0.000 0.000 0.287 136 I C 0.454 176.599 176.117 0.047 0.000 1.012 136 I CA -0.653 60.681 61.300 0.057 0.000 1.195 136 I CB 1.183 39.218 38.000 0.058 0.000 1.350 136 I HN 0.015 nan 8.210 nan 0.000 0.464 137 R N 4.984 125.513 120.500 0.047 0.000 2.316 137 R HA 0.243 4.583 4.340 0.000 0.000 0.314 137 R C -0.365 175.940 176.300 0.008 0.000 1.069 137 R CA -0.427 55.686 56.100 0.022 0.000 0.959 137 R CB 0.324 30.630 30.300 0.010 0.000 0.987 137 R HN 0.351 nan 8.270 nan 0.000 0.446 138 R N 2.436 122.939 120.500 0.004 0.000 2.410 138 R HA 0.126 4.466 4.340 0.000 0.000 0.288 138 R C -0.244 176.044 176.300 -0.020 0.000 1.051 138 R CA -0.935 55.168 56.100 0.005 0.000 1.021 138 R CB 0.700 31.007 30.300 0.011 0.000 1.032 138 R HN 0.601 nan 8.270 nan 0.000 0.481 139 R N 0.227 120.720 120.500 -0.013 0.000 2.522 139 R HA 0.288 4.628 4.340 0.000 0.000 0.284 139 R C 0.776 177.060 176.300 -0.026 0.000 1.032 139 R CA 0.999 57.078 56.100 -0.035 0.000 1.049 139 R CB 0.041 30.345 30.300 0.007 0.000 0.956 139 R HN 0.756 nan 8.270 nan 0.000 0.422 140 G N 2.374 111.148 108.800 -0.043 0.000 2.176 140 G HA2 -0.400 3.560 3.960 0.000 0.000 0.253 140 G HA3 -0.400 3.560 3.960 0.000 0.000 0.253 140 G C 0.620 175.501 174.900 -0.032 0.000 0.979 140 G CA 0.480 45.560 45.100 -0.033 0.000 0.641 140 G HN 0.879 nan 8.290 nan 0.000 0.530 141 E N -0.153 120.028 120.200 -0.032 0.000 2.515 141 E HA 0.070 4.420 4.350 0.000 0.000 0.201 141 E C 1.194 177.776 176.600 -0.029 0.000 1.071 141 E CA 1.211 57.596 56.400 -0.025 0.000 0.880 141 E CB 0.028 29.717 29.700 -0.018 0.000 0.828 141 E HN 0.434 nan 8.360 nan 0.000 0.540 142 D N 0.257 120.634 120.400 -0.039 0.000 2.766 142 D HA 0.273 4.913 4.640 0.000 0.000 0.284 142 D C 0.485 176.753 176.300 -0.054 0.000 1.050 142 D CA 0.325 54.300 54.000 -0.043 0.000 0.945 142 D CB 0.984 41.756 40.800 -0.046 0.000 1.272 142 D HN 0.125 nan 8.370 nan 0.000 0.482 143 I N 1.164 121.699 120.570 -0.057 0.000 2.569 143 I HA 0.173 4.343 4.170 0.000 0.000 0.290 143 I C -0.791 175.295 176.117 -0.051 0.000 1.088 143 I CA -0.595 60.666 61.300 -0.065 0.000 1.047 143 I CB 2.386 40.339 38.000 -0.077 0.000 1.237 143 I HN -0.193 nan 8.210 nan 0.000 0.421 144 S N 3.999 119.671 115.700 -0.046 0.000 2.489 144 S HA 0.773 5.243 4.470 0.000 0.000 0.291 144 S C 0.072 174.654 174.600 -0.031 0.000 1.151 144 S CA -0.867 57.313 58.200 -0.033 0.000 1.082 144 S CB 1.871 65.055 63.200 -0.028 0.000 1.019 144 S HN 0.733 nan 8.310 nan 0.000 0.492 145 A N 1.613 124.420 122.820 -0.021 0.000 2.520 145 A HA 0.521 4.841 4.320 0.000 0.000 0.235 145 A C 1.564 179.138 177.584 -0.016 0.000 1.065 145 A CA 0.253 52.280 52.037 -0.016 0.000 0.764 145 A CB -1.177 17.820 19.000 -0.006 0.000 1.002 145 A HN 2.343 nan 8.150 nan 0.000 0.502 146 G N 0.060 108.851 108.800 -0.015 0.000 2.199 146 G HA2 0.134 4.094 3.960 0.000 0.000 0.254 146 G HA3 0.134 4.094 3.960 0.000 0.000 0.254 146 G C 0.599 175.487 174.900 -0.020 0.000 0.982 146 G CA 0.633 45.725 45.100 -0.013 0.000 0.632 146 G HN 2.219 nan 8.290 nan 0.000 0.529 147 A N -0.145 122.656 122.820 -0.031 0.000 2.322 147 A HA 0.725 5.045 4.320 0.000 0.000 0.269 147 A C 0.496 178.048 177.584 -0.054 0.000 1.094 147 A CA 0.135 52.146 52.037 -0.043 0.000 0.807 147 A CB 1.253 20.220 19.000 -0.055 0.000 1.047 147 A HN 1.085 nan 8.150 nan 0.000 0.487 148 V N 3.230 123.109 119.914 -0.058 0.000 2.432 148 V HA 0.114 4.234 4.120 0.000 0.000 0.271 148 V C 1.050 177.066 176.094 -0.131 0.000 1.046 148 V CA 0.081 62.343 62.300 -0.063 0.000 0.945 148 V CB 0.998 32.797 31.823 -0.040 0.000 0.992 148 V HN 0.736 nan 8.190 nan 0.000 0.471 149 V N 5.263 125.065 119.914 -0.185 0.000 2.492 149 V HA 0.210 4.330 4.120 0.000 0.000 0.241 149 V C 0.267 175.937 176.094 -0.705 0.000 1.041 149 V CA 1.086 63.118 62.300 -0.446 0.000 1.057 149 V CB -0.122 31.431 31.823 -0.449 0.000 0.711 149 V HN 0.659 nan 8.190 nan 0.000 0.468 150 F N 1.333 121.275 119.950 -0.014 0.000 2.539 150 F HA 0.545 5.072 4.527 0.000 0.000 0.318 150 F C -2.602 173.188 175.800 -0.016 0.000 1.135 150 F CA -2.431 55.558 58.000 -0.018 0.000 0.915 150 F CB 2.196 41.183 39.000 -0.023 0.000 1.176 150 F HN -0.078 nan 8.300 nan 0.000 0.440 151 P HA 0.252 nan 4.420 nan 0.000 0.276 151 P C -0.746 176.598 177.300 0.073 0.000 1.244 151 P CA -0.344 62.807 63.100 0.085 0.000 0.801 151 P CB 1.036 32.770 31.700 0.056 0.000 1.006 152 A N 0.942 123.789 122.820 0.044 0.000 2.483 152 A HA 0.436 4.756 4.320 0.000 0.000 0.238 152 A C 1.430 179.025 177.584 0.017 0.000 1.070 152 A CA 0.822 52.876 52.037 0.028 0.000 0.770 152 A CB -1.460 17.552 19.000 0.020 0.000 1.008 152 A HN 0.893 nan 8.150 nan 0.000 0.497 153 G N 1.113 109.915 108.800 0.004 0.000 2.176 153 G HA2 -0.191 3.769 3.960 0.000 0.000 0.232 153 G HA3 -0.191 3.769 3.960 0.000 0.000 0.232 153 G C 0.409 175.298 174.900 -0.019 0.000 0.986 153 G CA 0.390 45.486 45.100 -0.007 0.000 0.643 153 G HN 1.201 nan 8.290 nan 0.000 0.522 154 T N 1.219 115.762 114.554 -0.018 0.000 2.814 154 T HA 0.436 4.786 4.350 0.000 0.000 0.297 154 T C 0.598 175.236 174.700 -0.103 0.000 0.956 154 T CA -0.121 61.950 62.100 -0.047 0.000 1.123 154 T CB 1.319 70.166 68.868 -0.034 0.000 0.902 154 T HN 0.482 nan 8.240 nan 0.000 0.528 155 R N 3.883 124.310 120.500 -0.122 0.000 2.242 155 R HA 0.250 4.590 4.340 0.000 0.000 0.334 155 R C -0.316 175.830 176.300 -0.256 0.000 1.071 155 R CA -0.459 55.544 56.100 -0.162 0.000 0.922 155 R CB -0.055 30.162 30.300 -0.140 0.000 1.023 155 R HN 0.592 nan 8.270 nan 0.000 0.458 156 L N 4.091 125.141 121.223 -0.288 0.000 2.410 156 L HA 0.195 4.535 4.340 0.000 0.000 0.273 156 L C 0.556 177.090 176.870 -0.560 0.000 1.152 156 L CA 0.380 54.997 54.840 -0.373 0.000 0.855 156 L CB 1.209 43.102 42.059 -0.278 0.000 1.129 156 L HN 0.741 nan 8.230 nan 0.000 0.463 157 T N -0.168 114.065 114.554 -0.535 0.000 2.696 157 T HA 0.160 4.510 4.350 0.000 0.000 0.291 157 T C 0.976 175.518 174.700 -0.262 0.000 1.095 157 T CA -0.431 61.267 62.100 -0.670 0.000 1.026 157 T CB 1.775 70.373 68.868 -0.450 0.000 1.390 157 T HN 0.603 nan 8.240 nan 0.000 0.513 158 T N 1.479 116.031 114.554 -0.003 0.000 2.929 158 T HA -0.020 4.330 4.350 0.000 0.000 0.271 158 T C 1.913 176.618 174.700 0.009 0.000 1.085 158 T CA 1.200 63.353 62.100 0.088 0.000 1.125 158 T CB -0.325 68.641 68.868 0.162 0.000 0.874 158 T HN 0.591 nan 8.240 nan 0.000 0.494 159 A N 1.155 123.951 122.820 -0.040 0.000 1.970 159 A HA 0.016 4.336 4.320 0.000 0.000 0.216 159 A C 2.131 179.681 177.584 -0.057 0.000 1.170 159 A CA 1.109 53.130 52.037 -0.025 0.000 0.645 159 A CB -0.128 18.858 19.000 -0.023 0.000 0.816 159 A HN 0.424 nan 8.150 nan 0.000 0.447 160 E N -0.449 119.617 120.200 -0.222 0.000 2.206 160 E HA 0.197 4.547 4.350 0.000 0.000 0.195 160 E C 1.777 178.231 176.600 -0.243 0.000 0.935 160 E CA 0.196 56.322 56.400 -0.457 0.000 0.875 160 E CB -0.279 28.778 29.700 -1.072 0.000 0.841 160 E HN 0.459 nan 8.360 nan 0.000 0.477 161 L N 1.252 122.366 121.223 -0.183 0.000 2.079 161 L HA -0.135 4.205 4.340 0.000 0.000 0.210 161 L C -0.756 176.113 176.870 -0.002 0.000 1.081 161 L CA 1.357 56.150 54.840 -0.078 0.000 0.752 161 L CB -1.204 40.824 42.059 -0.052 0.000 0.896 161 L HN 0.172 nan 8.230 nan 0.000 0.433 162 P HA -0.071 nan 4.420 nan 0.000 0.221 162 P C 1.840 179.175 177.300 0.060 0.000 1.150 162 P CA 0.792 63.914 63.100 0.036 0.000 0.800 162 P CB 0.137 31.858 31.700 0.035 0.000 0.787 163 V N -0.238 119.737 119.914 0.103 0.000 2.379 163 V HA -0.188 3.932 4.120 0.000 0.000 0.245 163 V C 2.306 178.492 176.094 0.153 0.000 1.044 163 V CA 1.448 63.842 62.300 0.157 0.000 1.036 163 V CB -0.949 31.064 31.823 0.317 0.000 0.664 163 V HN 0.051 nan 8.190 nan 0.000 0.453 164 I N 0.636 121.310 120.570 0.174 0.000 2.286 164 I HA -0.232 3.938 4.170 0.000 0.000 0.248 164 I C 2.640 178.801 176.117 0.073 0.000 1.115 164 I CA 1.500 62.881 61.300 0.136 0.000 1.392 164 I CB -0.573 37.488 38.000 0.103 0.000 1.065 164 I HN 0.296 nan 8.210 nan 0.000 0.418 165 A N 0.741 123.593 122.820 0.054 0.000 1.930 165 A HA -0.197 4.123 4.320 0.000 0.000 0.217 165 A C 2.444 180.048 177.584 0.033 0.000 1.175 165 A CA 1.861 53.921 52.037 0.037 0.000 0.627 165 A CB -0.741 18.276 19.000 0.030 0.000 0.815 165 A HN 0.521 nan 8.150 nan 0.000 0.443 166 S N -0.383 115.338 115.700 0.035 0.000 2.507 166 S HA 0.032 4.503 4.470 0.000 0.000 0.235 166 S C 1.328 175.939 174.600 0.017 0.000 0.988 166 S CA 1.103 59.316 58.200 0.020 0.000 0.944 166 S CB -0.498 62.711 63.200 0.014 0.000 0.762 166 S HN 0.448 nan 8.310 nan 0.000 0.526 167 L N 0.614 121.853 121.223 0.027 0.000 2.628 167 L HA 0.385 4.725 4.340 0.000 0.000 0.229 167 L C 1.821 178.706 176.870 0.024 0.000 1.137 167 L CA 0.267 55.120 54.840 0.021 0.000 0.909 167 L CB -0.406 41.669 42.059 0.026 0.000 1.137 167 L HN 0.548 nan 8.230 nan 0.000 0.470 168 G N 0.946 109.761 108.800 0.026 0.000 2.179 168 G HA2 -0.291 3.669 3.960 0.000 0.000 0.260 168 G HA3 -0.291 3.669 3.960 0.000 0.000 0.260 168 G C 0.254 175.169 174.900 0.025 0.000 0.977 168 G CA -0.174 44.941 45.100 0.025 0.000 0.641 168 G HN 0.300 nan 8.290 nan 0.000 0.533 169 I N 1.225 121.812 120.570 0.029 0.000 2.352 169 I HA 0.462 4.632 4.170 0.000 0.000 0.290 169 I C 1.539 177.672 176.117 0.026 0.000 1.036 169 I CA 0.213 61.530 61.300 0.029 0.000 1.336 169 I CB 1.468 39.489 38.000 0.036 0.000 1.407 169 I HN 0.144 nan 8.210 nan 0.000 0.497 170 A N 6.066 128.899 122.820 0.022 0.000 2.132 170 A HA 0.103 4.423 4.320 0.000 0.000 0.213 170 A C 0.568 178.162 177.584 0.018 0.000 1.154 170 A CA 0.530 52.579 52.037 0.019 0.000 0.753 170 A CB -0.040 18.970 19.000 0.017 0.000 0.826 170 A HN 0.810 nan 8.150 nan 0.000 0.469 171 E N -1.117 119.093 120.200 0.018 0.000 2.412 171 E HA 0.564 4.914 4.350 0.000 0.000 0.279 171 E C -1.158 175.451 176.600 0.016 0.000 0.984 171 E CA -0.892 55.517 56.400 0.015 0.000 0.788 171 E CB 1.758 31.466 29.700 0.014 0.000 1.277 171 E HN 0.352 nan 8.360 nan 0.000 0.455 172 V N -2.742 117.179 119.914 0.012 0.000 3.049 172 V HA 0.685 4.805 4.120 0.000 0.000 0.309 172 V C -2.877 173.221 176.094 0.008 0.000 1.148 172 V CA -2.517 59.791 62.300 0.012 0.000 0.990 172 V CB 1.722 33.551 31.823 0.009 0.000 1.039 172 V HN 0.673 nan 8.190 nan 0.000 0.430 173 P HA 0.465 nan 4.420 nan 0.000 0.280 173 P C -0.611 176.691 177.300 0.003 0.000 1.244 173 P CA -0.086 63.019 63.100 0.008 0.000 0.784 173 P CB 1.569 33.275 31.700 0.011 0.000 0.913 174 V N 1.505 121.420 119.914 0.001 0.000 2.962 174 V HA 0.482 4.602 4.120 0.000 0.000 0.313 174 V C 0.038 176.132 176.094 0.001 0.000 1.099 174 V CA -1.311 60.987 62.300 -0.004 0.000 0.971 174 V CB 1.910 33.727 31.823 -0.010 0.000 1.028 174 V HN 0.232 nan 8.190 nan 0.000 0.430 175 I N 2.916 123.486 120.570 -0.000 0.000 2.692 175 I HA 0.224 4.394 4.170 0.000 0.000 0.284 175 I C 1.198 177.319 176.117 0.008 0.000 1.159 175 I CA 0.311 61.615 61.300 0.006 0.000 1.423 175 I CB 0.426 38.429 38.000 0.005 0.000 1.380 175 I HN 1.014 nan 8.210 nan 0.000 0.580 176 R N 5.486 125.994 120.500 0.013 0.000 2.738 176 R HA 0.189 4.529 4.340 0.000 0.000 0.268 176 R C -0.282 176.028 176.300 0.016 0.000 1.062 176 R CA -0.507 55.602 56.100 0.015 0.000 1.158 176 R CB 0.432 30.743 30.300 0.018 0.000 1.046 176 R HN 0.411 nan 8.270 nan 0.000 0.493 177 K N 1.119 121.529 120.400 0.017 0.000 2.355 177 K HA 0.084 4.404 4.320 0.000 0.000 0.270 177 K C -0.328 176.286 176.600 0.023 0.000 1.003 177 K CA -0.484 55.814 56.287 0.018 0.000 0.957 177 K CB 0.859 33.370 32.500 0.018 0.000 0.939 177 K HN 0.287 nan 8.250 nan 0.000 0.482 178 V N 3.637 123.565 119.914 0.025 0.000 2.637 178 V HA 0.050 4.170 4.120 0.000 0.000 0.296 178 V C 0.567 176.681 176.094 0.033 0.000 1.046 178 V CA -0.095 62.226 62.300 0.035 0.000 1.066 178 V CB 0.483 32.327 31.823 0.036 0.000 0.968 178 V HN 0.635 nan 8.190 nan 0.000 0.483 179 R N 3.558 124.082 120.500 0.040 0.000 2.265 179 R HA 0.652 4.993 4.340 0.000 0.000 0.319 179 R C -1.298 175.026 176.300 0.041 0.000 1.006 179 R CA -0.544 55.575 56.100 0.032 0.000 0.880 179 R CB 1.643 31.962 30.300 0.033 0.000 1.077 179 R HN 0.503 nan 8.270 nan 0.000 0.454 180 V N 2.226 122.154 119.914 0.023 0.000 2.483 180 V HA 0.460 4.580 4.120 0.000 0.000 0.297 180 V C -0.090 176.008 176.094 0.007 0.000 1.027 180 V CA -0.973 61.344 62.300 0.028 0.000 0.855 180 V CB 1.712 33.551 31.823 0.027 0.000 0.995 180 V HN 0.912 nan 8.190 nan 0.000 0.424 181 A N 5.662 128.501 122.820 0.032 0.000 2.310 181 A HA 0.863 5.183 4.320 0.000 0.000 0.299 181 A C -0.747 176.837 177.584 0.001 0.000 1.147 181 A CA -0.418 51.645 52.037 0.044 0.000 0.818 181 A CB 0.869 19.930 19.000 0.102 0.000 1.096 181 A HN 0.818 nan 8.150 nan 0.000 0.495 182 L N 3.145 124.376 121.223 0.014 0.000 2.431 182 L HA 0.840 5.181 4.340 0.000 0.000 0.266 182 L C -1.655 175.261 176.870 0.077 0.000 0.978 182 L CA -0.642 54.165 54.840 -0.054 0.000 0.822 182 L CB 1.823 43.844 42.059 -0.064 0.000 1.310 182 L HN 0.947 nan 8.230 nan 0.000 0.409 183 F N 1.299 121.229 119.950 -0.034 0.000 2.741 183 F HA 0.750 5.277 4.527 0.000 0.000 0.311 183 F C -1.068 174.724 175.800 -0.015 0.000 1.149 183 F CA -0.739 57.239 58.000 -0.036 0.000 0.930 183 F CB 1.289 40.240 39.000 -0.083 0.000 1.312 183 F HN 0.391 nan 8.300 nan 0.000 0.450 184 S N 0.027 115.929 115.700 0.338 0.000 2.667 184 S HA 0.904 5.374 4.470 0.000 0.000 0.292 184 S C -1.103 173.653 174.600 0.260 0.000 1.126 184 S CA -0.453 57.884 58.200 0.229 0.000 0.881 184 S CB 1.915 65.187 63.200 0.119 0.000 1.132 184 S HN 1.264 nan 8.310 nan 0.000 0.492 185 T N -1.038 113.631 114.554 0.192 0.000 2.889 185 T HA 0.731 5.081 4.350 0.000 0.000 0.315 185 T C -0.766 174.006 174.700 0.121 0.000 1.291 185 T CA 0.356 62.550 62.100 0.157 0.000 1.028 185 T CB 1.094 70.072 68.868 0.184 0.000 1.235 185 T HN 2.287 nan 8.240 nan 0.000 0.491 186 G N 2.800 111.665 108.800 0.108 0.000 2.380 186 G HA2 0.143 4.103 3.960 0.000 0.000 0.250 186 G HA3 0.143 4.103 3.960 0.000 0.000 0.250 186 G C -0.107 174.833 174.900 0.067 0.000 1.578 186 G CA -0.448 44.706 45.100 0.091 0.000 0.974 186 G HN 0.630 nan 8.290 nan 0.000 0.680 187 D N 1.015 121.451 120.400 0.060 0.000 2.350 187 D HA -0.040 4.600 4.640 0.000 0.000 0.216 187 D C 2.096 178.408 176.300 0.020 0.000 0.968 187 D CA 1.399 55.421 54.000 0.037 0.000 0.894 187 D CB 0.337 41.156 40.800 0.032 0.000 0.909 187 D HN 0.839 nan 8.370 nan 0.000 0.520 188 E N -0.091 120.122 120.200 0.022 0.000 2.358 188 E HA 0.014 4.364 4.350 0.000 0.000 0.195 188 E C 0.565 177.157 176.600 -0.014 0.000 1.010 188 E CA 0.267 56.668 56.400 0.002 0.000 0.856 188 E CB -0.021 29.686 29.700 0.012 0.000 0.795 188 E HN 0.211 nan 8.360 nan 0.000 0.504 189 L N 1.757 122.985 121.223 0.009 0.000 2.305 189 L HA 0.325 4.665 4.340 0.000 0.000 0.281 189 L C -0.076 176.800 176.870 0.010 0.000 1.085 189 L CA -0.590 54.257 54.840 0.012 0.000 0.813 189 L CB 0.879 42.964 42.059 0.043 0.000 1.157 189 L HN 0.019 nan 8.230 nan 0.000 0.436 190 Q N 2.227 122.029 119.800 0.004 0.000 2.387 190 Q HA 0.599 4.939 4.340 0.000 0.000 0.273 190 Q C -1.150 174.962 176.000 0.187 0.000 1.089 190 Q CA -0.518 55.312 55.803 0.045 0.000 0.824 190 Q CB 2.284 30.977 28.738 -0.074 0.000 1.367 190 Q HN 0.463 nan 8.270 nan 0.000 0.443 191 L N 4.013 125.341 121.223 0.176 0.000 2.305 191 L HA 0.469 4.809 4.340 0.000 0.000 0.281 191 L C -2.050 174.930 176.870 0.183 0.000 1.085 191 L CA -2.026 52.905 54.840 0.152 0.000 0.813 191 L CB 1.028 43.131 42.059 0.074 0.000 1.157 191 L HN 0.496 nan 8.230 nan 0.000 0.436 192 P HA 0.010 nan 4.420 nan 0.000 0.261 192 P C 0.770 177.988 177.300 -0.136 0.000 1.173 192 P CA 0.856 63.774 63.100 -0.303 0.000 0.760 192 P CB 0.724 32.235 31.700 -0.316 0.000 0.783 193 G N 1.702 110.420 108.800 -0.136 0.000 2.259 193 G HA2 -0.190 3.770 3.960 0.000 0.000 0.217 193 G HA3 -0.190 3.770 3.960 0.000 0.000 0.217 193 G C 0.100 175.031 174.900 0.051 0.000 1.001 193 G CA -0.403 44.674 45.100 -0.037 0.000 0.627 193 G HN 0.552 nan 8.290 nan 0.000 0.501 194 Q N 1.526 121.410 119.800 0.140 0.000 2.221 194 Q HA 0.520 4.860 4.340 0.000 0.000 0.242 194 Q C -2.269 173.858 176.000 0.211 0.000 0.940 194 Q CA -1.706 54.187 55.803 0.149 0.000 0.896 194 Q CB 1.784 30.603 28.738 0.134 0.000 1.226 194 Q HN 0.291 nan 8.270 nan 0.000 0.463 195 P HA 0.117 nan 4.420 nan 0.000 0.278 195 P C -1.152 176.151 177.300 0.005 0.000 1.238 195 P CA -0.445 62.706 63.100 0.085 0.000 0.794 195 P CB 0.691 32.418 31.700 0.045 0.000 0.955 196 L N 2.482 123.672 121.223 -0.054 0.000 2.276 196 L HA 0.571 4.911 4.340 0.000 0.000 0.286 196 L C 0.808 177.624 176.870 -0.090 0.000 1.061 196 L CA 0.349 55.081 54.840 -0.180 0.000 0.807 196 L CB 0.508 42.402 42.059 -0.274 0.000 1.177 196 L HN 0.592 nan 8.230 nan 0.000 0.429 197 G N 2.480 111.229 108.800 -0.085 0.000 2.702 197 G HA2 0.461 4.421 3.960 0.000 0.000 0.295 197 G HA3 0.461 4.421 3.960 0.000 0.000 0.295 197 G C -1.199 173.675 174.900 -0.044 0.000 1.446 197 G CA -0.391 44.681 45.100 -0.048 0.000 0.983 197 G HN 0.581 nan 8.290 nan 0.000 0.520 198 D N 1.366 121.746 120.400 -0.034 0.000 4.478 198 D HA -0.136 4.504 4.640 0.000 0.000 0.238 198 D C 1.488 177.771 176.300 -0.029 0.000 1.056 198 D CA 2.087 56.072 54.000 -0.025 0.000 1.245 198 D CB -0.708 40.082 40.800 -0.016 0.000 0.794 198 D HN 1.716 nan 8.370 nan 0.000 0.394 199 G N 2.291 111.074 108.800 -0.028 0.000 2.244 199 G HA2 -0.375 3.585 3.960 0.000 0.000 0.274 199 G HA3 -0.375 3.585 3.960 0.000 0.000 0.274 199 G C 0.486 175.362 174.900 -0.040 0.000 1.002 199 G CA 1.224 46.308 45.100 -0.026 0.000 0.740 199 G HN 0.615 nan 8.290 nan 0.000 0.516 200 Q N -0.673 119.085 119.800 -0.070 0.000 2.317 200 Q HA 0.704 5.044 4.340 0.000 0.000 0.229 200 Q C 0.784 176.690 176.000 -0.156 0.000 0.984 200 Q CA -0.035 55.707 55.803 -0.102 0.000 0.911 200 Q CB 1.112 29.776 28.738 -0.124 0.000 1.217 200 Q HN 0.778 nan 8.270 nan 0.000 0.501 201 I N -2.780 117.689 120.570 -0.167 0.000 2.994 201 I HA 0.420 4.590 4.170 0.000 0.000 0.306 201 I C -1.394 174.598 176.117 -0.209 0.000 1.195 201 I CA -1.279 59.909 61.300 -0.186 0.000 1.001 201 I CB 1.506 39.475 38.000 -0.051 0.000 1.244 201 I HN 0.487 nan 8.210 nan 0.000 0.437 202 Y N 1.326 121.625 120.300 -0.003 0.000 2.335 202 Y HA 0.223 4.774 4.550 0.000 0.000 0.331 202 Y C 0.362 176.251 175.900 -0.018 0.000 1.094 202 Y CA -0.089 58.004 58.100 -0.011 0.000 1.253 202 Y CB 0.639 39.087 38.460 -0.020 0.000 1.203 202 Y HN 0.547 nan 8.280 nan 0.000 0.508 203 D N 1.705 122.196 120.400 0.151 0.000 2.450 203 D HA -0.005 4.635 4.640 0.000 0.000 0.247 203 D C 0.781 177.104 176.300 0.038 0.000 1.162 203 D CA 0.565 54.610 54.000 0.074 0.000 0.879 203 D CB 0.968 41.808 40.800 0.067 0.000 1.163 203 D HN 0.743 nan 8.370 nan 0.000 0.472 204 T N 0.183 114.731 114.554 -0.009 0.000 2.980 204 T HA 0.041 4.391 4.350 0.000 0.000 0.252 204 T C 1.316 175.948 174.700 -0.113 0.000 0.962 204 T CA -0.318 61.733 62.100 -0.081 0.000 0.932 204 T CB -0.142 68.641 68.868 -0.141 0.000 1.188 204 T HN 0.146 nan 8.240 nan 0.000 0.500 205 N N 1.919 120.574 118.700 -0.074 0.000 2.120 205 N HA 0.013 4.753 4.740 0.000 0.000 0.188 205 N C 1.900 177.368 175.510 -0.069 0.000 1.024 205 N CA 1.198 54.208 53.050 -0.067 0.000 0.852 205 N CB -0.410 38.071 38.487 -0.011 0.000 1.003 205 N HN 0.447 nan 8.380 nan 0.000 0.424 206 R N 0.567 121.045 120.500 -0.036 0.000 2.081 206 R HA -0.007 4.333 4.340 0.000 0.000 0.235 206 R C 2.137 178.425 176.300 -0.020 0.000 1.131 206 R CA 0.734 56.822 56.100 -0.019 0.000 0.960 206 R CB -0.320 29.994 30.300 0.023 0.000 0.856 206 R HN 0.213 nan 8.270 nan 0.000 0.436 207 L N 0.143 121.338 121.223 -0.047 0.000 2.017 207 L HA -0.136 4.204 4.340 0.000 0.000 0.208 207 L C 2.278 179.096 176.870 -0.088 0.000 1.073 207 L CA 1.820 56.619 54.840 -0.069 0.000 0.745 207 L CB -0.688 41.311 42.059 -0.100 0.000 0.894 207 L HN 0.330 nan 8.230 nan 0.000 0.432 208 A N -0.469 122.274 122.820 -0.129 0.000 1.883 208 A HA -0.193 4.127 4.320 0.000 0.000 0.217 208 A C 2.196 179.632 177.584 -0.247 0.000 1.186 208 A CA 2.109 54.048 52.037 -0.163 0.000 0.624 208 A CB -0.949 17.957 19.000 -0.156 0.000 0.822 208 A HN 0.338 nan 8.150 nan 0.000 0.444 209 V N -0.357 119.388 119.914 -0.281 0.000 2.343 209 V HA -0.253 3.867 4.120 0.000 0.000 0.247 209 V C 2.540 178.454 176.094 -0.299 0.000 1.051 209 V CA 2.152 64.162 62.300 -0.483 0.000 1.036 209 V CB -1.037 30.571 31.823 -0.359 0.000 0.654 209 V HN 0.752 nan 8.190 nan 0.000 0.451 210 H N 0.372 119.313 119.070 -0.214 0.000 2.290 210 H HA -0.134 4.422 4.556 0.000 0.000 0.298 210 H C 2.237 177.483 175.328 -0.137 0.000 1.087 210 H CA 2.197 58.164 56.048 -0.135 0.000 1.291 210 H CB -0.280 29.427 29.762 -0.091 0.000 1.369 210 H HN 0.328 nan 8.280 nan 0.000 0.492 211 L N -0.190 121.065 121.223 0.054 0.000 2.013 211 L HA -0.259 4.081 4.340 0.000 0.000 0.212 211 L C 3.087 179.915 176.870 -0.070 0.000 1.073 211 L CA 1.613 56.443 54.840 -0.018 0.000 0.753 211 L CB -0.445 41.562 42.059 -0.085 0.000 0.890 211 L HN 0.274 nan 8.230 nan 0.000 0.432 212 M N -0.790 118.704 119.600 -0.177 0.000 2.117 212 M HA -0.218 4.262 4.480 0.000 0.000 0.262 212 M C 2.344 178.615 176.300 -0.049 0.000 1.065 212 M CA 1.718 56.913 55.300 -0.175 0.000 1.114 212 M CB -0.380 32.002 32.600 -0.362 0.000 1.361 212 M HN 0.235 nan 8.290 nan 0.000 0.408 213 L N -0.293 120.887 121.223 -0.072 0.000 2.042 213 L HA -0.225 4.115 4.340 0.000 0.000 0.210 213 L C 2.419 179.293 176.870 0.007 0.000 1.076 213 L CA 1.399 56.249 54.840 0.017 0.000 0.749 213 L CB -0.636 41.391 42.059 -0.053 0.000 0.893 213 L HN 0.360 nan 8.230 nan 0.000 0.432 214 E N -0.567 119.635 120.200 0.004 0.000 2.072 214 E HA -0.211 4.139 4.350 0.000 0.000 0.191 214 E C 2.264 178.877 176.600 0.022 0.000 0.985 214 E CA 0.802 57.219 56.400 0.027 0.000 0.801 214 E CB 0.098 29.846 29.700 0.080 0.000 0.750 214 E HN 0.410 nan 8.360 nan 0.000 0.452 215 Q N 0.108 119.914 119.800 0.009 0.000 2.224 215 Q HA -0.058 4.282 4.340 0.000 0.000 0.203 215 Q C 2.052 178.066 176.000 0.024 0.000 0.970 215 Q CA 0.737 56.544 55.803 0.007 0.000 0.865 215 Q CB -0.037 28.688 28.738 -0.021 0.000 0.922 215 Q HN 0.350 nan 8.270 nan 0.000 0.445 216 L N -0.855 120.385 121.223 0.028 0.000 2.599 216 L HA 0.074 4.414 4.340 0.000 0.000 0.230 216 L C 1.060 177.949 176.870 0.031 0.000 1.141 216 L CA 0.538 55.397 54.840 0.031 0.000 0.877 216 L CB -0.204 41.882 42.059 0.046 0.000 1.009 216 L HN 0.346 nan 8.230 nan 0.000 0.447 217 G N -0.939 107.882 108.800 0.035 0.000 2.141 217 G HA2 -0.250 3.710 3.960 0.000 0.000 0.242 217 G HA3 -0.250 3.710 3.960 0.000 0.000 0.242 217 G C 0.267 175.182 174.900 0.025 0.000 0.982 217 G CA -0.038 45.084 45.100 0.035 0.000 0.662 217 G HN 0.328 nan 8.290 nan 0.000 0.527 218 C N 0.337 119.649 119.300 0.020 0.000 2.520 218 C HA 0.600 5.060 4.460 0.000 0.000 0.376 218 C C 0.913 175.902 174.990 -0.001 0.000 1.268 218 C CA -0.554 58.471 59.018 0.012 0.000 2.414 218 C CB 1.213 28.963 27.740 0.016 0.000 2.521 218 C HN 0.523 nan 8.230 nan 0.000 0.618 219 E N 0.742 120.941 120.200 -0.002 0.000 2.167 219 E HA 0.408 4.758 4.350 0.000 0.000 0.284 219 E C -1.128 175.449 176.600 -0.038 0.000 1.016 219 E CA -0.137 56.258 56.400 -0.009 0.000 0.817 219 E CB 0.933 30.636 29.700 0.005 0.000 1.080 219 E HN 0.469 nan 8.360 nan 0.000 0.397 220 V N 5.858 125.722 119.914 -0.083 0.000 2.427 220 V HA 0.316 4.436 4.120 0.000 0.000 0.286 220 V C -0.013 176.016 176.094 -0.108 0.000 1.034 220 V CA -0.587 61.609 62.300 -0.172 0.000 0.893 220 V CB 1.285 32.818 31.823 -0.484 0.000 0.982 220 V HN 0.564 nan 8.190 nan 0.000 0.452 221 I N 4.228 124.755 120.570 -0.071 0.000 2.428 221 I HA 0.304 4.474 4.170 0.000 0.000 0.279 221 I C 0.234 176.355 176.117 0.006 0.000 1.040 221 I CA 0.191 61.485 61.300 -0.009 0.000 1.171 221 I CB 0.762 38.773 38.000 0.018 0.000 1.312 221 I HN 0.602 nan 8.210 nan 0.000 0.470 222 N N 5.403 124.120 118.700 0.029 0.000 2.439 222 N HA 0.164 4.904 4.740 0.000 0.000 0.243 222 N C 0.584 176.150 175.510 0.093 0.000 1.088 222 N CA -0.436 52.664 53.050 0.083 0.000 0.940 222 N CB 0.643 39.244 38.487 0.191 0.000 1.180 222 N HN 0.452 nan 8.380 nan 0.000 0.505 223 L N 3.123 124.415 121.223 0.114 0.000 2.627 223 L HA 0.277 4.617 4.340 0.000 0.000 0.233 223 L C 1.539 178.450 176.870 0.068 0.000 1.144 223 L CA 0.627 55.514 54.840 0.078 0.000 0.892 223 L CB -1.691 40.404 42.059 0.060 0.000 1.039 223 L HN 0.814 nan 8.230 nan 0.000 0.442 224 G N 0.119 108.979 108.800 0.099 0.000 2.601 224 G HA2 -0.312 3.649 3.960 0.000 0.000 0.252 224 G HA3 -0.312 3.649 3.960 0.000 0.000 0.252 224 G C 0.066 175.024 174.900 0.096 0.000 1.294 224 G CA -0.209 44.940 45.100 0.081 0.000 0.912 224 G HN 0.141 nan 8.290 nan 0.000 0.574 225 I N 1.497 122.108 120.570 0.069 0.000 2.337 225 I HA 0.247 4.417 4.170 0.000 0.000 0.291 225 I C 0.589 176.728 176.117 0.038 0.000 1.046 225 I CA -0.668 60.676 61.300 0.073 0.000 1.324 225 I CB 0.800 38.837 38.000 0.062 0.000 1.409 225 I HN 0.258 nan 8.210 nan 0.000 0.494 226 I N 6.692 127.279 120.570 0.029 0.000 2.474 226 I HA 0.216 4.386 4.170 0.000 0.000 0.287 226 I C 0.769 176.901 176.117 0.024 0.000 1.048 226 I CA -0.434 60.846 61.300 -0.034 0.000 1.383 226 I CB 0.535 38.446 38.000 -0.149 0.000 1.412 226 I HN 0.653 nan 8.210 nan 0.000 0.531 227 R N 3.368 123.877 120.500 0.016 0.000 2.694 227 R HA 0.169 4.510 4.340 0.000 0.000 0.268 227 R C -0.545 175.798 176.300 0.071 0.000 1.061 227 R CA -0.673 55.449 56.100 0.037 0.000 1.133 227 R CB 0.498 30.809 30.300 0.017 0.000 1.020 227 R HN 0.390 nan 8.270 nan 0.000 0.475 228 D N 1.550 121.999 120.400 0.082 0.000 2.541 228 D HA 0.047 4.688 4.640 0.000 0.000 0.231 228 D C -1.026 175.252 176.300 -0.036 0.000 1.163 228 D CA 0.855 54.932 54.000 0.128 0.000 1.077 228 D CB -0.206 40.663 40.800 0.116 0.000 1.110 228 D HN 0.500 nan 8.370 nan 0.000 0.499 229 D N 0.357 120.734 120.400 -0.038 0.000 2.966 229 D HA 0.218 4.858 4.640 0.000 0.000 0.222 229 D C -2.081 174.144 176.300 -0.125 0.000 1.292 229 D CA -1.561 52.336 54.000 -0.172 0.000 0.907 229 D CB 1.922 42.690 40.800 -0.054 0.000 1.621 229 D HN -0.169 nan 8.370 nan 0.000 0.557 230 P HA -0.202 nan 4.420 nan 0.000 0.216 230 P C 0.881 178.078 177.300 -0.171 0.000 1.150 230 P CA 1.232 64.223 63.100 -0.182 0.000 0.843 230 P CB 0.074 31.544 31.700 -0.383 0.000 0.787 231 H N -1.056 118.016 119.070 0.003 0.000 2.363 231 H HA 0.130 4.686 4.556 0.000 0.000 0.301 231 H C 1.987 177.318 175.328 0.005 0.000 1.074 231 H CA 1.453 57.504 56.048 0.004 0.000 1.354 231 H CB -0.862 28.890 29.762 -0.016 0.000 1.397 231 H HN 0.076 nan 8.280 nan 0.000 0.516 232 A N 1.570 124.449 122.820 0.098 0.000 1.898 232 A HA -0.083 4.237 4.320 0.000 0.000 0.216 232 A C 2.607 180.188 177.584 -0.006 0.000 1.181 232 A CA 0.791 52.847 52.037 0.032 0.000 0.620 232 A CB -0.788 18.220 19.000 0.013 0.000 0.819 232 A HN 0.290 nan 8.150 nan 0.000 0.442 233 L N -0.741 120.511 121.223 0.049 0.000 2.017 233 L HA -0.178 4.163 4.340 0.000 0.000 0.208 233 L C 2.830 179.779 176.870 0.133 0.000 1.073 233 L CA 1.629 56.508 54.840 0.065 0.000 0.745 233 L CB -0.419 41.781 42.059 0.235 0.000 0.894 233 L HN 0.427 nan 8.230 nan 0.000 0.432 234 R N -0.478 120.108 120.500 0.144 0.000 2.096 234 R HA -0.147 4.193 4.340 0.000 0.000 0.235 234 R C 2.254 178.622 176.300 0.112 0.000 1.127 234 R CA 1.260 57.450 56.100 0.150 0.000 0.968 234 R CB -0.406 29.947 30.300 0.089 0.000 0.861 234 R HN 0.409 nan 8.270 nan 0.000 0.440 235 A N 1.305 124.156 122.820 0.051 0.000 1.930 235 A HA -0.076 4.244 4.320 0.000 0.000 0.217 235 A C 2.368 179.924 177.584 -0.046 0.000 1.175 235 A CA 1.574 53.618 52.037 0.011 0.000 0.627 235 A CB -0.520 18.479 19.000 -0.002 0.000 0.815 235 A HN 0.385 nan 8.150 nan 0.000 0.443 236 A N -1.161 121.562 122.820 -0.162 0.000 1.873 236 A HA 0.020 4.340 4.320 0.000 0.000 0.215 236 A C 2.004 179.431 177.584 -0.262 0.000 1.186 236 A CA 1.366 53.177 52.037 -0.377 0.000 0.616 236 A CB -0.745 17.708 19.000 -0.912 0.000 0.823 236 A HN 0.468 nan 8.150 nan 0.000 0.442 237 F N -0.049 119.834 119.950 -0.111 0.000 2.102 237 F HA -0.161 4.367 4.527 0.000 0.000 0.298 237 F C 2.169 177.987 175.800 0.031 0.000 1.105 237 F CA 1.607 59.640 58.000 0.055 0.000 1.239 237 F CB -0.303 38.713 39.000 0.028 0.000 0.991 237 F HN 0.118 nan 8.300 nan 0.000 0.474 238 I N 0.228 120.909 120.570 0.185 0.000 2.163 238 I HA -0.327 3.843 4.170 0.000 0.000 0.243 238 I C 2.464 178.622 176.117 0.069 0.000 1.085 238 I CA 2.050 63.409 61.300 0.099 0.000 1.347 238 I CB -0.535 37.499 38.000 0.058 0.000 1.044 238 I HN 0.208 nan 8.210 nan 0.000 0.408 239 E N 1.546 121.771 120.200 0.043 0.000 2.107 239 E HA -0.171 4.179 4.350 0.000 0.000 0.191 239 E C 2.159 178.790 176.600 0.051 0.000 0.982 239 E CA 1.213 57.630 56.400 0.029 0.000 0.809 239 E CB -0.187 29.514 29.700 0.001 0.000 0.756 239 E HN 0.405 nan 8.360 nan 0.000 0.459 240 A N 1.335 124.202 122.820 0.078 0.000 1.877 240 A HA -0.242 4.078 4.320 0.000 0.000 0.216 240 A C 2.048 179.705 177.584 0.122 0.000 1.186 240 A CA 1.850 53.960 52.037 0.122 0.000 0.620 240 A CB -1.000 18.129 19.000 0.215 0.000 0.822 240 A HN 0.525 nan 8.150 nan 0.000 0.443 241 D N -0.194 120.292 120.400 0.143 0.000 2.218 241 D HA -0.149 4.491 4.640 0.000 0.000 0.204 241 D C 1.991 178.322 176.300 0.052 0.000 0.976 241 D CA 1.790 55.852 54.000 0.104 0.000 0.853 241 D CB -0.006 40.855 40.800 0.102 0.000 0.939 241 D HN 0.484 nan 8.370 nan 0.000 0.481 242 S N -1.498 114.230 115.700 0.047 0.000 2.496 242 S HA -0.011 4.459 4.470 0.000 0.000 0.224 242 S C 1.614 176.230 174.600 0.026 0.000 0.996 242 S CA 0.209 58.425 58.200 0.026 0.000 0.927 242 S CB 0.135 63.348 63.200 0.022 0.000 0.774 242 S HN 0.182 nan 8.310 nan 0.000 0.524 243 Q N 0.290 120.112 119.800 0.036 0.000 2.280 243 Q HA 0.543 4.883 4.340 0.000 0.000 0.228 243 Q C 0.475 176.497 176.000 0.038 0.000 0.857 243 Q CA 0.531 56.354 55.803 0.033 0.000 0.939 243 Q CB 1.074 29.832 28.738 0.032 0.000 1.114 243 Q HN 0.653 nan 8.270 nan 0.000 0.514 244 A N 0.209 123.058 122.820 0.049 0.000 2.387 244 A HA 0.506 4.826 4.320 0.000 0.000 0.303 244 A C -0.097 177.524 177.584 0.062 0.000 1.145 244 A CA -0.479 51.592 52.037 0.056 0.000 0.801 244 A CB 1.043 20.084 19.000 0.068 0.000 1.342 244 A HN -0.076 nan 8.150 nan 0.000 0.440 245 D N -0.786 119.662 120.400 0.080 0.000 2.355 245 D HA 0.199 4.839 4.640 0.000 0.000 0.206 245 D C -0.244 176.160 176.300 0.172 0.000 1.010 245 D CA 1.130 55.196 54.000 0.110 0.000 0.875 245 D CB 0.788 41.663 40.800 0.125 0.000 0.966 245 D HN 0.175 nan 8.370 nan 0.000 0.512 246 V N 1.319 121.324 119.914 0.151 0.000 2.808 246 V HA 0.283 4.403 4.120 0.000 0.000 0.308 246 V C -0.379 175.790 176.094 0.125 0.000 1.099 246 V CA -0.873 61.534 62.300 0.179 0.000 0.920 246 V CB 2.968 34.891 31.823 0.166 0.000 1.014 246 V HN -0.277 nan 8.190 nan 0.000 0.425 247 V N 5.654 125.654 119.914 0.145 0.000 2.448 247 V HA 0.568 4.689 4.120 0.000 0.000 0.295 247 V C -0.370 175.704 176.094 -0.033 0.000 1.025 247 V CA -0.355 62.021 62.300 0.127 0.000 0.859 247 V CB 1.716 33.734 31.823 0.324 0.000 0.988 247 V HN 0.693 nan 8.190 nan 0.000 0.431 248 I N 3.450 123.923 120.570 -0.162 0.000 2.406 248 I HA 0.392 4.562 4.170 0.000 0.000 0.290 248 I C 0.126 175.981 176.117 -0.436 0.000 0.999 248 I CA -0.297 60.835 61.300 -0.280 0.000 1.124 248 I CB 2.133 40.072 38.000 -0.101 0.000 1.289 248 I HN 0.594 nan 8.210 nan 0.000 0.441 249 S N 3.594 119.048 115.700 -0.409 0.000 2.422 249 S HA 0.166 4.636 4.470 0.000 0.000 0.298 249 S C 0.897 175.407 174.600 -0.150 0.000 1.118 249 S CA -0.370 57.618 58.200 -0.352 0.000 1.083 249 S CB 1.240 64.450 63.200 0.017 0.000 0.971 249 S HN 0.662 nan 8.310 nan 0.000 0.478 250 S N 3.672 119.299 115.700 -0.122 0.000 2.489 250 S HA 0.383 4.853 4.470 0.000 0.000 0.228 250 S C 0.756 175.373 174.600 0.028 0.000 0.995 250 S CA 0.735 58.917 58.200 -0.030 0.000 0.934 250 S CB -0.452 62.730 63.200 -0.029 0.000 0.771 250 S HN 1.253 nan 8.310 nan 0.000 0.522 251 G N -2.389 106.440 108.800 0.048 0.000 2.368 251 G HA2 0.452 4.412 3.960 0.000 0.000 0.301 251 G HA3 0.452 4.412 3.960 0.000 0.000 0.301 251 G C 0.259 175.221 174.900 0.104 0.000 1.640 251 G CA -0.203 44.946 45.100 0.083 0.000 0.941 251 G HN 0.824 nan 8.290 nan 0.000 0.695 252 G N -1.391 107.473 108.800 0.107 0.000 2.339 252 G HA2 -0.004 3.957 3.960 0.000 0.000 0.209 252 G HA3 -0.004 3.957 3.960 0.000 0.000 0.209 252 G C 0.482 175.441 174.900 0.099 0.000 1.015 252 G CA 0.644 45.807 45.100 0.105 0.000 0.635 252 G HN 1.794 nan 8.290 nan 0.000 0.499 253 V N 2.221 122.225 119.914 0.150 0.000 2.607 253 V HA 0.634 4.754 4.120 0.000 0.000 0.289 253 V C 1.311 177.490 176.094 0.141 0.000 1.053 253 V CA 0.274 62.673 62.300 0.165 0.000 0.996 253 V CB 1.562 33.585 31.823 0.334 0.000 0.995 253 V HN 0.829 nan 8.190 nan 0.000 0.476 254 S N 3.206 118.947 115.700 0.069 0.000 2.552 254 S HA 0.084 4.554 4.470 0.000 0.000 0.289 254 S C 0.523 175.245 174.600 0.204 0.000 1.304 254 S CA 0.058 58.289 58.200 0.051 0.000 1.063 254 S CB 0.748 63.891 63.200 -0.095 0.000 0.848 254 S HN 1.109 nan 8.310 nan 0.000 0.499 255 V N 2.240 122.258 119.914 0.175 0.000 3.085 255 V HA 0.711 4.831 4.120 0.000 0.000 0.345 255 V C 1.118 177.369 176.094 0.262 0.000 1.397 255 V CA 0.307 62.800 62.300 0.321 0.000 1.165 255 V CB -0.502 31.467 31.823 0.244 0.000 1.153 255 V HN 1.136 nan 8.190 nan 0.000 0.495 256 G N 0.288 109.031 108.800 -0.095 0.000 3.967 256 G HA2 -0.103 3.857 3.960 0.000 0.000 0.210 256 G HA3 -0.103 3.857 3.960 0.000 0.000 0.210 256 G C 0.035 174.772 174.900 -0.271 0.000 1.127 256 G CA -0.058 44.893 45.100 -0.247 0.000 0.887 256 G HN 0.457 nan 8.290 nan 0.000 0.367 257 E N 1.481 121.601 120.200 -0.134 0.000 2.442 257 E HA 0.503 4.853 4.350 0.000 0.000 0.262 257 E C 0.704 177.213 176.600 -0.152 0.000 1.004 257 E CA 0.609 56.947 56.400 -0.103 0.000 0.928 257 E CB 0.918 30.593 29.700 -0.042 0.000 0.937 257 E HN 0.701 nan 8.360 nan 0.000 0.446 258 A N 4.542 127.293 122.820 -0.115 0.000 2.454 258 A HA 0.395 4.715 4.320 0.000 0.000 0.260 258 A C -0.474 177.067 177.584 -0.073 0.000 1.106 258 A CA 0.090 52.061 52.037 -0.110 0.000 0.780 258 A CB 0.068 19.024 19.000 -0.074 0.000 1.044 258 A HN 0.674 nan 8.150 nan 0.000 0.498 259 D N 0.789 121.139 120.400 -0.083 0.000 2.769 259 D HA -0.004 4.636 4.640 0.000 0.000 0.309 259 D C 0.148 176.420 176.300 -0.046 0.000 1.315 259 D CA -0.064 53.913 54.000 -0.039 0.000 0.780 259 D CB -0.408 40.358 40.800 -0.058 0.000 1.312 259 D HN 0.478 nan 8.370 nan 0.000 0.437 260 Y N -0.630 119.654 120.300 -0.028 0.000 2.333 260 Y HA -0.061 4.489 4.550 0.000 0.000 0.290 260 Y C 2.114 177.999 175.900 -0.025 0.000 1.144 260 Y CA 2.229 60.308 58.100 -0.034 0.000 1.228 260 Y CB -1.108 37.330 38.460 -0.036 0.000 0.985 260 Y HN 0.465 nan 8.280 nan 0.000 0.542 261 T N -1.635 112.453 114.554 -0.776 0.000 2.821 261 T HA -0.171 4.179 4.350 0.000 0.000 0.267 261 T C 1.795 176.369 174.700 -0.210 0.000 1.046 261 T CA 1.434 63.230 62.100 -0.507 0.000 1.139 261 T CB -0.412 68.196 68.868 -0.433 0.000 0.871 261 T HN 0.448 nan 8.240 nan 0.000 0.454 262 K N 0.892 121.181 120.400 -0.185 0.000 2.057 262 K HA -0.092 4.228 4.320 0.000 0.000 0.207 262 K C 2.392 178.934 176.600 -0.097 0.000 1.049 262 K CA 1.727 57.931 56.287 -0.138 0.000 0.931 262 K CB -0.558 31.799 32.500 -0.239 0.000 0.714 262 K HN 0.365 nan 8.250 nan 0.000 0.440 263 T N 1.106 115.607 114.554 -0.088 0.000 2.746 263 T HA -0.114 4.236 4.350 0.000 0.000 0.267 263 T C 1.785 176.437 174.700 -0.080 0.000 1.039 263 T CA 1.541 63.606 62.100 -0.059 0.000 1.142 263 T CB -0.171 68.685 68.868 -0.020 0.000 0.866 263 T HN 0.164 nan 8.240 nan 0.000 0.444 264 I N 0.510 121.027 120.570 -0.089 0.000 2.226 264 I HA -0.126 4.044 4.170 0.000 0.000 0.245 264 I C 2.339 178.286 176.117 -0.283 0.000 1.100 264 I CA 1.025 62.244 61.300 -0.135 0.000 1.374 264 I CB -0.285 37.671 38.000 -0.072 0.000 1.057 264 I HN 0.198 nan 8.210 nan 0.000 0.413 265 L N 0.245 121.275 121.223 -0.322 0.000 1.989 265 L HA -0.270 4.070 4.340 0.000 0.000 0.211 265 L C 2.485 179.169 176.870 -0.310 0.000 1.071 265 L CA 1.779 56.344 54.840 -0.459 0.000 0.749 265 L CB -0.459 41.430 42.059 -0.282 0.000 0.890 265 L HN 0.279 nan 8.230 nan 0.000 0.431 266 E N -0.692 119.424 120.200 -0.140 0.000 2.204 266 E HA -0.274 4.076 4.350 0.000 0.000 0.195 266 E C 1.926 178.455 176.600 -0.119 0.000 0.990 266 E CA 1.143 57.490 56.400 -0.089 0.000 0.821 266 E CB 0.064 29.757 29.700 -0.011 0.000 0.750 266 E HN 0.492 nan 8.360 nan 0.000 0.477 267 E N 0.607 120.725 120.200 -0.137 0.000 2.230 267 E HA -0.096 4.254 4.350 0.000 0.000 0.192 267 E C 1.782 178.292 176.600 -0.150 0.000 0.987 267 E CA 0.355 56.684 56.400 -0.118 0.000 0.841 267 E CB 0.176 29.819 29.700 -0.094 0.000 0.783 267 E HN 0.243 nan 8.360 nan 0.000 0.481 268 L N 0.137 121.223 121.223 -0.229 0.000 2.509 268 L HA 0.317 4.657 4.340 0.000 0.000 0.222 268 L C 1.028 177.749 176.870 -0.249 0.000 1.123 268 L CA 0.373 55.064 54.840 -0.250 0.000 0.856 268 L CB 0.591 42.429 42.059 -0.368 0.000 0.985 268 L HN 0.190 nan 8.230 nan 0.000 0.456 269 G N -1.061 107.585 108.800 -0.256 0.000 2.488 269 G HA2 0.174 4.134 3.960 0.000 0.000 0.301 269 G HA3 0.174 4.134 3.960 0.000 0.000 0.301 269 G C -1.422 173.349 174.900 -0.215 0.000 1.339 269 G CA -0.570 44.387 45.100 -0.238 0.000 0.803 269 G HN -0.201 nan 8.290 nan 0.000 0.482 270 E N 0.306 120.385 120.200 -0.202 0.000 1.986 270 E HA 0.384 4.734 4.350 0.000 0.000 0.264 270 E C -0.702 175.756 176.600 -0.237 0.000 1.023 270 E CA -0.140 56.158 56.400 -0.169 0.000 0.834 270 E CB 1.063 30.693 29.700 -0.116 0.000 1.111 270 E HN 0.228 nan 8.360 nan 0.000 0.417 271 I N 1.911 122.304 120.570 -0.294 0.000 2.441 271 I HA 0.317 4.487 4.170 0.000 0.000 0.295 271 I C 0.137 175.907 176.117 -0.580 0.000 0.994 271 I CA -0.546 60.467 61.300 -0.479 0.000 1.144 271 I CB 1.907 39.545 38.000 -0.603 0.000 1.314 271 I HN 0.280 nan 8.210 nan 0.000 0.445 272 A N 5.760 128.181 122.820 -0.666 0.000 2.312 272 A HA 0.793 5.113 4.320 0.000 0.000 0.326 272 A C -1.074 175.966 177.584 -0.905 0.000 1.172 272 A CA -0.316 51.371 52.037 -0.583 0.000 0.821 272 A CB 0.293 19.028 19.000 -0.441 0.000 1.166 272 A HN 0.507 nan 8.150 nan 0.000 0.493 273 F N 2.474 122.330 119.950 -0.156 0.000 2.311 273 F HA 0.332 4.859 4.527 0.000 0.000 0.371 273 F C -0.335 175.555 175.800 0.149 0.000 1.083 273 F CA -0.413 57.551 58.000 -0.059 0.000 1.113 273 F CB 0.779 39.781 39.000 0.004 0.000 1.349 273 F HN 0.534 nan 8.300 nan 0.000 0.470 274 W N 2.431 123.860 121.300 0.214 0.000 2.283 274 W HA 0.466 5.126 4.660 0.000 0.000 0.341 274 W C -0.068 176.575 176.519 0.205 0.000 1.206 274 W CA -1.396 56.070 57.345 0.202 0.000 1.294 274 W CB 0.640 30.228 29.460 0.214 0.000 1.154 274 W HN 0.182 nan 8.180 nan 0.000 0.613 275 K N 2.627 123.265 120.400 0.397 0.000 2.621 275 K HA 0.259 4.580 4.320 0.000 0.000 0.233 275 K C -0.908 175.802 176.600 0.183 0.000 0.972 275 K CA -0.899 55.541 56.287 0.255 0.000 0.988 275 K CB 1.101 33.715 32.500 0.189 0.000 1.187 275 K HN -0.019 nan 8.250 nan 0.000 0.471 276 L N 1.584 122.917 121.223 0.183 0.000 2.395 276 L HA 0.254 4.594 4.340 0.000 0.000 0.269 276 L C 0.836 177.752 176.870 0.077 0.000 1.133 276 L CA -0.020 54.881 54.840 0.102 0.000 0.812 276 L CB 0.869 42.985 42.059 0.096 0.000 1.125 276 L HN 0.620 nan 8.230 nan 0.000 0.452 277 A N 5.847 128.693 122.820 0.044 0.000 3.091 277 A HA 0.502 4.822 4.320 0.000 0.000 0.264 277 A C 0.098 177.716 177.584 0.056 0.000 1.673 277 A CA -0.195 51.867 52.037 0.041 0.000 1.362 277 A CB -1.236 17.773 19.000 0.016 0.000 1.137 277 A HN 0.622 nan 8.150 nan 0.000 0.617 278 I N -3.006 117.613 120.570 0.082 0.000 3.174 278 I HA 0.836 5.006 4.170 0.000 0.000 0.313 278 I C -0.831 175.358 176.117 0.121 0.000 1.155 278 I CA -1.385 59.989 61.300 0.123 0.000 0.977 278 I CB 2.476 40.560 38.000 0.141 0.000 1.248 278 I HN 0.121 nan 8.210 nan 0.000 0.453 279 K N 3.102 123.598 120.400 0.159 0.000 2.561 279 K HA 0.518 4.839 4.320 0.000 0.000 0.254 279 K C -3.043 173.660 176.600 0.172 0.000 0.942 279 K CA -1.277 55.091 56.287 0.134 0.000 0.818 279 K CB 2.677 35.234 32.500 0.094 0.000 1.306 279 K HN 0.438 nan 8.250 nan 0.000 0.435 280 P HA 0.336 nan 4.420 nan 0.000 0.275 280 P C 0.168 177.541 177.300 0.121 0.000 1.266 280 P CA 0.561 63.739 63.100 0.130 0.000 0.793 280 P CB 0.727 32.512 31.700 0.142 0.000 1.074 281 G N -0.493 108.382 108.800 0.125 0.000 2.582 281 G HA2 -0.023 3.937 3.960 0.000 0.000 0.222 281 G HA3 -0.023 3.937 3.960 0.000 0.000 0.222 281 G C -0.132 174.842 174.900 0.123 0.000 1.311 281 G CA 0.421 45.595 45.100 0.124 0.000 0.915 281 G HN 0.836 nan 8.290 nan 0.000 0.528 282 K N -2.276 118.207 120.400 0.138 0.000 1.984 282 K HA -0.024 4.296 4.320 0.000 0.000 0.160 282 K C -2.587 174.139 176.600 0.211 0.000 2.589 282 K CA 0.717 57.094 56.287 0.151 0.000 1.234 282 K CB -0.718 31.862 32.500 0.133 0.000 2.858 282 K HN 0.589 nan 8.250 nan 0.000 0.360 283 P HA 0.378 nan 4.420 nan 0.000 0.281 283 P C -1.045 176.495 177.300 0.399 0.000 1.249 283 P CA 0.095 63.368 63.100 0.288 0.000 0.810 283 P CB 0.408 32.246 31.700 0.230 0.000 1.008 284 F N 0.739 120.817 119.950 0.213 0.000 2.652 284 F HA 0.553 5.080 4.527 0.000 0.000 0.320 284 F C -1.811 174.045 175.800 0.093 0.000 1.115 284 F CA -0.785 57.312 58.000 0.162 0.000 1.053 284 F CB 0.926 40.041 39.000 0.192 0.000 1.297 284 F HN 0.448 nan 8.300 nan 0.000 0.471 285 A N 5.566 128.027 122.820 -0.598 0.000 2.304 285 A HA 0.823 5.144 4.320 0.000 0.000 0.323 285 A C -2.041 174.953 177.584 -0.982 0.000 1.195 285 A CA -0.467 51.185 52.037 -0.640 0.000 0.826 285 A CB 0.738 19.633 19.000 -0.176 0.000 1.184 285 A HN 0.858 nan 8.150 nan 0.000 0.496 286 F N 1.670 120.982 119.950 -1.063 0.000 2.601 286 F HA 0.747 5.274 4.527 0.000 0.000 0.309 286 F C 0.120 175.633 175.800 -0.478 0.000 1.089 286 F CA 0.537 58.057 58.000 -0.800 0.000 0.940 286 F CB 2.001 40.465 39.000 -0.893 0.000 1.273 286 F HN 1.174 nan 8.300 nan 0.000 0.450 287 G N 3.901 111.945 108.800 -1.259 0.000 2.320 287 G HA2 0.262 4.222 3.960 0.000 0.000 0.296 287 G HA3 0.262 4.222 3.960 0.000 0.000 0.296 287 G C -2.346 172.289 174.900 -0.442 0.000 1.306 287 G CA -1.084 43.563 45.100 -0.756 0.000 0.836 287 G HN 0.636 nan 8.290 nan 0.000 0.517 288 K N 0.410 120.618 120.400 -0.321 0.000 2.185 288 K HA 0.652 4.972 4.320 0.000 0.000 0.269 288 K C -0.126 176.270 176.600 -0.341 0.000 0.987 288 K CA -0.503 55.508 56.287 -0.460 0.000 0.865 288 K CB 1.118 33.264 32.500 -0.589 0.000 1.090 288 K HN 0.409 nan 8.250 nan 0.000 0.450 289 L N 1.084 122.119 121.223 -0.314 0.000 2.635 289 L HA 0.237 4.577 4.340 0.000 0.000 0.250 289 L C 1.840 178.571 176.870 -0.230 0.000 1.117 289 L CA -0.471 54.237 54.840 -0.219 0.000 0.834 289 L CB 1.021 43.017 42.059 -0.105 0.000 1.544 289 L HN 0.702 nan 8.230 nan 0.000 0.511 290 S N 0.135 115.740 115.700 -0.159 0.000 2.353 290 S HA -0.113 4.357 4.470 0.000 0.000 0.222 290 S C 0.908 175.413 174.600 -0.158 0.000 1.035 290 S CA 1.439 59.554 58.200 -0.141 0.000 1.025 290 S CB -0.187 62.959 63.200 -0.090 0.000 0.902 290 S HN 0.613 nan 8.310 nan 0.000 0.440 291 N N 0.594 119.211 118.700 -0.138 0.000 2.299 291 N HA 0.190 4.930 4.740 0.000 0.000 0.246 291 N C -0.657 174.760 175.510 -0.155 0.000 1.254 291 N CA 0.123 53.092 53.050 -0.134 0.000 0.879 291 N CB 1.135 39.582 38.487 -0.067 0.000 1.214 291 N HN 0.408 nan 8.380 nan 0.000 0.510 292 S N -0.928 114.632 115.700 -0.234 0.000 2.636 292 S HA 0.543 5.013 4.470 0.000 0.000 0.268 292 S C -1.880 172.513 174.600 -0.344 0.000 1.159 292 S CA -0.940 57.138 58.200 -0.203 0.000 0.815 292 S CB 1.273 64.471 63.200 -0.004 0.000 1.130 292 S HN 0.198 nan 8.310 nan 0.000 0.471 293 W N 0.777 122.089 121.300 0.020 0.000 2.512 293 W HA 0.712 5.372 4.660 0.000 0.000 0.335 293 W C -0.589 175.939 176.519 0.016 0.000 1.088 293 W CA -0.577 56.748 57.345 -0.034 0.000 1.236 293 W CB 1.268 30.750 29.460 0.038 0.000 1.307 293 W HN 0.626 nan 8.180 nan 0.000 0.567 294 F N 3.019 122.979 119.950 0.016 0.000 2.495 294 F HA 0.653 5.180 4.527 0.000 0.000 0.327 294 F C -0.867 174.897 175.800 -0.060 0.000 1.103 294 F CA -1.277 56.706 58.000 -0.027 0.000 0.949 294 F CB 0.787 39.729 39.000 -0.097 0.000 1.142 294 F HN 0.187 nan 8.300 nan 0.000 0.457 295 C N 4.444 123.110 119.300 -1.057 0.000 2.346 295 C HA 0.748 5.208 4.460 0.000 0.000 0.326 295 C C 0.373 174.628 174.990 -1.225 0.000 1.224 295 C CA -0.867 57.669 59.018 -0.803 0.000 1.408 295 C CB 0.515 28.189 27.740 -0.109 0.000 2.089 295 C HN 1.070 nan 8.230 nan 0.000 0.456 296 G N 3.885 112.059 108.800 -1.043 0.000 2.370 296 G HA2 0.607 4.568 3.960 0.000 0.000 0.317 296 G HA3 0.607 4.568 3.960 0.000 0.000 0.317 296 G C -0.945 173.923 174.900 -0.054 0.000 1.162 296 G CA -0.175 44.675 45.100 -0.418 0.000 0.922 296 G HN 0.467 nan 8.290 nan 0.000 0.454 297 L N 3.662 124.932 121.223 0.078 0.000 2.360 297 L HA 0.555 4.895 4.340 0.000 0.000 0.271 297 L C -1.706 175.274 176.870 0.184 0.000 1.057 297 L CA -2.584 52.380 54.840 0.207 0.000 0.803 297 L CB 1.547 43.710 42.059 0.173 0.000 1.207 297 L HN 0.336 nan 8.230 nan 0.000 0.445 298 P HA 0.144 nan 4.420 nan 0.000 0.274 298 P C 0.515 177.900 177.300 0.142 0.000 1.237 298 P CA -0.335 62.869 63.100 0.172 0.000 0.793 298 P CB 0.727 32.536 31.700 0.181 0.000 0.977 299 G N 1.422 110.296 108.800 0.123 0.000 2.422 299 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 299 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 299 G C 0.754 175.719 174.900 0.110 0.000 1.140 299 G CA 0.241 45.404 45.100 0.106 0.000 0.775 299 G HN 0.626 nan 8.290 nan 0.000 0.545 300 N N 1.072 119.849 118.700 0.128 0.000 2.447 300 N HA 0.159 4.900 4.740 0.000 0.000 0.263 300 N C -1.242 174.371 175.510 0.173 0.000 1.226 300 N CA -1.088 52.049 53.050 0.146 0.000 0.906 300 N CB 1.465 40.047 38.487 0.158 0.000 1.060 300 N HN -0.118 nan 8.380 nan 0.000 0.468 301 P HA -0.194 nan 4.420 nan 0.000 0.215 301 P C 1.159 178.715 177.300 0.426 0.000 1.157 301 P CA 0.866 64.098 63.100 0.220 0.000 0.874 301 P CB 0.190 31.965 31.700 0.126 0.000 0.790 302 V N -0.366 119.831 119.914 0.471 0.000 2.295 302 V HA -0.224 3.897 4.120 0.000 0.000 0.246 302 V C 2.436 178.741 176.094 0.352 0.000 1.049 302 V CA 2.357 64.952 62.300 0.492 0.000 1.024 302 V CB -1.474 30.557 31.823 0.346 0.000 0.648 302 V HN 0.151 nan 8.190 nan 0.000 0.447 303 S N 0.188 116.042 115.700 0.258 0.000 2.356 303 S HA -0.179 4.292 4.470 0.000 0.000 0.223 303 S C 2.226 176.939 174.600 0.188 0.000 1.032 303 S CA 1.495 59.814 58.200 0.198 0.000 1.005 303 S CB -0.517 62.787 63.200 0.174 0.000 0.867 303 S HN 0.654 nan 8.310 nan 0.000 0.449 304 A N 1.102 124.040 122.820 0.197 0.000 1.902 304 A HA -0.107 4.213 4.320 0.000 0.000 0.217 304 A C 2.339 180.045 177.584 0.203 0.000 1.181 304 A CA 2.049 54.196 52.037 0.184 0.000 0.623 304 A CB -1.318 17.771 19.000 0.148 0.000 0.818 304 A HN 0.467 nan 8.150 nan 0.000 0.443 305 T N 0.299 114.980 114.554 0.212 0.000 2.708 305 T HA -0.109 4.241 4.350 0.000 0.000 0.266 305 T C 1.864 176.710 174.700 0.242 0.000 1.037 305 T CA 1.313 63.527 62.100 0.190 0.000 1.146 305 T CB -0.315 68.587 68.868 0.057 0.000 0.865 305 T HN 0.307 nan 8.240 nan 0.000 0.435 306 L N 1.107 122.459 121.223 0.214 0.000 2.046 306 L HA -0.105 4.235 4.340 0.000 0.000 0.208 306 L C 2.300 179.161 176.870 -0.014 0.000 1.077 306 L CA 1.962 56.864 54.840 0.104 0.000 0.747 306 L CB -1.510 40.584 42.059 0.057 0.000 0.896 306 L HN 0.296 nan 8.230 nan 0.000 0.432 307 T N -0.034 114.526 114.554 0.010 0.000 2.746 307 T HA -0.229 4.121 4.350 0.000 0.000 0.267 307 T C 1.604 176.229 174.700 -0.125 0.000 1.039 307 T CA 1.746 63.774 62.100 -0.120 0.000 1.142 307 T CB -0.488 68.346 68.868 -0.058 0.000 0.866 307 T HN 0.429 nan 8.240 nan 0.000 0.444 308 F N 0.588 120.505 119.950 -0.055 0.000 2.102 308 F HA -0.118 4.409 4.527 0.000 0.000 0.298 308 F C 2.162 177.938 175.800 -0.040 0.000 1.105 308 F CA 1.044 59.022 58.000 -0.037 0.000 1.239 308 F CB -0.425 38.584 39.000 0.015 0.000 0.991 308 F HN 0.164 nan 8.300 nan 0.000 0.474 309 Y N 0.689 121.043 120.300 0.090 0.000 2.224 309 Y HA -0.210 4.340 4.550 0.000 0.000 0.289 309 Y C 2.266 178.049 175.900 -0.194 0.000 1.146 309 Y CA 1.834 59.949 58.100 0.026 0.000 1.182 309 Y CB -0.175 38.408 38.460 0.205 0.000 0.983 309 Y HN 0.113 nan 8.280 nan 0.000 0.524 310 Q N -0.808 118.917 119.800 -0.123 0.000 2.402 310 Q HA 0.110 4.450 4.340 0.000 0.000 0.206 310 Q C 1.836 177.639 176.000 -0.329 0.000 0.919 310 Q CA 0.732 56.371 55.803 -0.273 0.000 0.923 310 Q CB 0.762 29.210 28.738 -0.483 0.000 1.048 310 Q HN 0.530 nan 8.270 nan 0.000 0.515 311 L N -1.364 119.616 121.223 -0.405 0.000 2.519 311 L HA 0.076 4.416 4.340 0.000 0.000 0.194 311 L C 2.065 178.677 176.870 -0.430 0.000 1.072 311 L CA 0.232 54.803 54.840 -0.449 0.000 0.845 311 L CB 0.013 41.656 42.059 -0.695 0.000 1.138 311 L HN -0.130 nan 8.230 nan 0.000 0.487 312 V N 0.004 119.607 119.914 -0.517 0.000 2.379 312 V HA -0.266 3.854 4.120 0.000 0.000 0.245 312 V C 2.333 178.059 176.094 -0.614 0.000 1.044 312 V CA 1.751 63.730 62.300 -0.536 0.000 1.036 312 V CB -0.474 30.930 31.823 -0.698 0.000 0.664 312 V HN 0.464 nan 8.190 nan 0.000 0.453 313 Q N 0.238 119.562 119.800 -0.794 0.000 2.077 313 Q HA -0.216 4.124 4.340 0.000 0.000 0.206 313 Q C -0.151 175.639 176.000 -0.350 0.000 0.989 313 Q CA 2.628 58.090 55.803 -0.568 0.000 0.853 313 Q CB -0.914 27.485 28.738 -0.565 0.000 0.907 313 Q HN 0.530 nan 8.270 nan 0.000 0.418 314 P HA -0.127 nan 4.420 nan 0.000 0.219 314 P C 1.250 178.426 177.300 -0.206 0.000 1.150 314 P CA 0.869 63.832 63.100 -0.229 0.000 0.814 314 P CB -0.104 31.468 31.700 -0.214 0.000 0.787 315 L N -1.040 120.042 121.223 -0.235 0.000 2.056 315 L HA -0.102 4.238 4.340 0.000 0.000 0.207 315 L C 2.255 179.034 176.870 -0.153 0.000 1.078 315 L CA 1.478 56.194 54.840 -0.207 0.000 0.749 315 L CB -0.792 41.140 42.059 -0.213 0.000 0.901 315 L HN -0.166 nan 8.230 nan 0.000 0.433 316 L N -0.561 120.570 121.223 -0.153 0.000 2.093 316 L HA -0.162 4.178 4.340 0.000 0.000 0.208 316 L C 2.772 179.594 176.870 -0.080 0.000 1.085 316 L CA 1.010 55.793 54.840 -0.094 0.000 0.755 316 L CB -0.910 41.091 42.059 -0.096 0.000 0.904 316 L HN 0.361 nan 8.230 nan 0.000 0.435 317 A N -0.127 122.630 122.820 -0.106 0.000 1.902 317 A HA -0.230 4.090 4.320 0.000 0.000 0.217 317 A C 2.427 179.971 177.584 -0.068 0.000 1.181 317 A CA 1.710 53.697 52.037 -0.083 0.000 0.623 317 A CB -0.375 18.567 19.000 -0.098 0.000 0.818 317 A HN 0.267 nan 8.150 nan 0.000 0.443 318 K N -0.539 119.813 120.400 -0.081 0.000 2.025 318 K HA 0.006 4.326 4.320 0.000 0.000 0.207 318 K C 1.939 178.515 176.600 -0.040 0.000 1.049 318 K CA 1.111 57.359 56.287 -0.066 0.000 0.933 318 K CB -0.290 32.156 32.500 -0.089 0.000 0.714 318 K HN 0.478 nan 8.250 nan 0.000 0.438 319 L N 1.136 122.336 121.223 -0.037 0.000 2.127 319 L HA -0.199 4.141 4.340 0.000 0.000 0.211 319 L C 2.452 179.330 176.870 0.013 0.000 1.089 319 L CA 1.579 56.423 54.840 0.007 0.000 0.757 319 L CB -0.406 41.670 42.059 0.028 0.000 0.899 319 L HN 0.328 nan 8.230 nan 0.000 0.434 320 S N -0.968 114.729 115.700 -0.005 0.000 2.474 320 S HA -0.035 4.435 4.470 0.000 0.000 0.235 320 S C 1.597 176.194 174.600 -0.005 0.000 0.997 320 S CA 0.853 59.051 58.200 -0.003 0.000 0.949 320 S CB 0.132 63.323 63.200 -0.015 0.000 0.766 320 S HN 0.598 nan 8.310 nan 0.000 0.517 321 G N 0.969 109.764 108.800 -0.008 0.000 2.195 321 G HA2 -0.242 3.718 3.960 0.000 0.000 0.224 321 G HA3 -0.242 3.718 3.960 0.000 0.000 0.224 321 G C -0.074 174.817 174.900 -0.016 0.000 0.990 321 G CA -0.049 45.047 45.100 -0.007 0.000 0.639 321 G HN 0.665 nan 8.290 nan 0.000 0.514 322 N N 1.642 120.326 118.700 -0.026 0.000 2.447 322 N HA 0.299 5.039 4.740 0.000 0.000 0.263 322 N C 1.567 177.059 175.510 -0.030 0.000 1.226 322 N CA 1.025 54.055 53.050 -0.033 0.000 0.906 322 N CB 0.940 39.401 38.487 -0.043 0.000 1.060 322 N HN 0.431 nan 8.380 nan 0.000 0.468 323 T N 0.275 114.815 114.554 -0.024 0.000 3.235 323 T HA 0.506 4.856 4.350 0.000 0.000 0.251 323 T C 0.448 175.135 174.700 -0.021 0.000 1.060 323 T CA -0.417 61.672 62.100 -0.019 0.000 0.949 323 T CB -0.082 68.781 68.868 -0.009 0.000 1.020 323 T HN 0.466 nan 8.240 nan 0.000 0.564 324 A N 0.721 123.524 122.820 -0.028 0.000 2.435 324 A HA 0.794 5.114 4.320 0.000 0.000 0.296 324 A C 0.087 177.649 177.584 -0.036 0.000 1.147 324 A CA -0.844 51.177 52.037 -0.027 0.000 0.775 324 A CB 1.270 20.256 19.000 -0.024 0.000 1.340 324 A HN 0.291 nan 8.150 nan 0.000 0.427 325 S N -0.539 115.141 115.700 -0.033 0.000 2.579 325 S HA 0.393 4.863 4.470 0.000 0.000 0.275 325 S C 1.150 175.721 174.600 -0.049 0.000 1.345 325 S CA 0.260 58.434 58.200 -0.043 0.000 1.031 325 S CB 1.059 64.240 63.200 -0.031 0.000 0.892 325 S HN 1.203 nan 8.310 nan 0.000 0.529 326 G N 0.629 109.384 108.800 -0.075 0.000 3.337 326 G HA2 0.421 4.381 3.960 0.000 0.000 0.246 326 G HA3 0.421 4.381 3.960 0.000 0.000 0.246 326 G C -0.185 174.652 174.900 -0.106 0.000 1.131 326 G CA -0.033 45.011 45.100 -0.093 0.000 0.773 326 G HN 0.440 nan 8.290 nan 0.000 0.544 327 L N 0.575 121.760 121.223 -0.063 0.000 2.370 327 L HA 0.514 4.854 4.340 0.000 0.000 0.266 327 L C -2.171 174.734 176.870 0.058 0.000 1.002 327 L CA -1.897 52.929 54.840 -0.023 0.000 0.818 327 L CB 2.778 44.825 42.059 -0.022 0.000 1.325 327 L HN -0.121 nan 8.230 nan 0.000 0.418 328 P HA 0.307 nan 4.420 nan 0.000 0.272 328 P C -1.024 176.355 177.300 0.131 0.000 1.230 328 P CA -0.472 62.717 63.100 0.147 0.000 0.788 328 P CB 0.582 32.414 31.700 0.220 0.000 0.949 329 A N 2.090 124.971 122.820 0.100 0.000 2.287 329 A HA 0.467 4.787 4.320 0.000 0.000 0.273 329 A C 0.337 177.977 177.584 0.093 0.000 1.091 329 A CA -0.418 51.666 52.037 0.078 0.000 0.817 329 A CB 0.341 19.372 19.000 0.051 0.000 1.069 329 A HN 0.491 nan 8.150 nan 0.000 0.492 330 R N -0.323 120.220 120.500 0.072 0.000 2.782 330 R HA 0.593 4.933 4.340 0.000 0.000 0.258 330 R C -0.712 175.611 176.300 0.039 0.000 1.055 330 R CA -0.639 55.503 56.100 0.070 0.000 1.065 330 R CB 1.256 31.592 30.300 0.060 0.000 1.172 330 R HN 0.918 nan 8.270 nan 0.000 0.510 331 Q N 0.177 119.997 119.800 0.035 0.000 2.435 331 Q HA 0.389 4.729 4.340 0.000 0.000 0.282 331 Q C -1.271 174.740 176.000 0.018 0.000 1.020 331 Q CA -1.069 54.743 55.803 0.015 0.000 0.820 331 Q CB 2.167 30.920 28.738 0.024 0.000 1.436 331 Q HN 0.441 nan 8.270 nan 0.000 0.395 332 R N 1.445 121.933 120.500 -0.018 0.000 2.298 332 R HA 0.575 4.915 4.340 0.000 0.000 0.310 332 R C -1.272 175.121 176.300 0.156 0.000 1.068 332 R CA -0.118 55.977 56.100 -0.009 0.000 0.957 332 R CB 0.930 31.084 30.300 -0.244 0.000 1.003 332 R HN 0.542 nan 8.270 nan 0.000 0.454 333 V N 4.093 124.206 119.914 0.331 0.000 3.114 333 V HA 0.422 4.542 4.120 0.000 0.000 0.308 333 V C -0.427 175.873 176.094 0.343 0.000 1.168 333 V CA -1.001 61.529 62.300 0.382 0.000 1.015 333 V CB 2.408 34.324 31.823 0.155 0.000 1.050 333 V HN 0.785 nan 8.190 nan 0.000 0.433 334 R N 0.686 121.208 120.500 0.037 0.000 2.410 334 R HA 0.593 4.933 4.340 0.000 0.000 0.288 334 R C -0.517 175.710 176.300 -0.122 0.000 1.051 334 R CA -0.370 55.584 56.100 -0.243 0.000 1.021 334 R CB 1.375 31.379 30.300 -0.492 0.000 1.032 334 R HN 0.801 nan 8.270 nan 0.000 0.481 335 T N 1.108 115.589 114.554 -0.122 0.000 2.889 335 T HA 0.273 4.623 4.350 0.000 0.000 0.291 335 T C 0.717 175.357 174.700 -0.101 0.000 0.995 335 T CA -0.563 61.485 62.100 -0.087 0.000 1.092 335 T CB 1.734 70.561 68.868 -0.070 0.000 0.954 335 T HN 0.703 nan 8.240 nan 0.000 0.506 336 A N 1.931 124.702 122.820 -0.082 0.000 2.430 336 A HA 0.541 4.861 4.320 0.000 0.000 0.243 336 A C 0.844 178.389 177.584 -0.065 0.000 1.254 336 A CA -0.303 51.688 52.037 -0.077 0.000 0.914 336 A CB 0.339 19.298 19.000 -0.068 0.000 0.998 336 A HN 0.594 nan 8.150 nan 0.000 0.515 337 S N -0.420 115.242 115.700 -0.063 0.000 2.542 337 S HA 0.512 4.982 4.470 0.000 0.000 0.293 337 S C -0.227 174.341 174.600 -0.054 0.000 1.089 337 S CA -0.706 57.461 58.200 -0.056 0.000 0.961 337 S CB 1.703 64.870 63.200 -0.055 0.000 1.062 337 S HN 0.555 nan 8.310 nan 0.000 0.483 338 R N 2.423 122.894 120.500 -0.049 0.000 2.340 338 R HA 0.451 4.791 4.340 0.000 0.000 0.300 338 R C -1.307 174.965 176.300 -0.047 0.000 1.069 338 R CA -0.184 55.889 56.100 -0.046 0.000 0.984 338 R CB 0.098 30.374 30.300 -0.040 0.000 1.003 338 R HN 0.555 nan 8.270 nan 0.000 0.459 339 L N 5.133 126.329 121.223 -0.045 0.000 2.313 339 L HA 0.433 4.773 4.340 0.000 0.000 0.283 339 L C -0.148 176.695 176.870 -0.045 0.000 1.013 339 L CA -1.018 53.794 54.840 -0.048 0.000 0.816 339 L CB 1.811 43.843 42.059 -0.045 0.000 1.236 339 L HN 0.490 nan 8.230 nan 0.000 0.419 340 K N 3.380 123.749 120.400 -0.052 0.000 2.312 340 K HA 0.382 4.702 4.320 0.000 0.000 0.287 340 K C -0.558 176.016 176.600 -0.043 0.000 1.062 340 K CA -0.524 55.734 56.287 -0.049 0.000 0.934 340 K CB 1.436 33.898 32.500 -0.062 0.000 1.027 340 K HN 0.346 nan 8.250 nan 0.000 0.478 341 K N 1.325 121.705 120.400 -0.033 0.000 2.513 341 K HA 0.234 4.554 4.320 0.000 0.000 0.251 341 K C -1.375 175.213 176.600 -0.020 0.000 0.939 341 K CA -0.303 55.968 56.287 -0.027 0.000 0.793 341 K CB 1.697 34.178 32.500 -0.031 0.000 1.241 341 K HN 0.352 nan 8.250 nan 0.000 0.431 342 T N 6.343 120.889 114.554 -0.014 0.000 2.749 342 T HA 0.427 4.777 4.350 0.000 0.000 0.287 342 T C -2.539 172.157 174.700 -0.007 0.000 0.970 342 T CA -1.442 60.653 62.100 -0.007 0.000 0.980 342 T CB 1.239 70.108 68.868 0.000 0.000 0.924 342 T HN 0.458 nan 8.240 nan 0.000 0.456 343 P HA 0.314 nan 4.420 nan 0.000 0.267 343 P C 1.059 178.358 177.300 -0.003 0.000 1.200 343 P CA 0.639 63.734 63.100 -0.008 0.000 0.772 343 P CB 0.486 32.182 31.700 -0.007 0.000 0.855 344 G N 1.547 110.345 108.800 -0.004 0.000 2.428 344 G HA2 -0.141 3.819 3.960 0.000 0.000 0.199 344 G HA3 -0.141 3.819 3.960 0.000 0.000 0.199 344 G C 0.013 174.916 174.900 0.005 0.000 1.005 344 G CA -0.482 44.619 45.100 0.002 0.000 0.671 344 G HN 0.564 nan 8.290 nan 0.000 0.485 345 R N -0.302 120.200 120.500 0.004 0.000 2.686 345 R HA 0.590 4.931 4.340 0.000 0.000 0.283 345 R C -1.121 175.173 176.300 -0.010 0.000 0.978 345 R CA -0.990 55.117 56.100 0.011 0.000 0.897 345 R CB 2.354 32.674 30.300 0.032 0.000 1.192 345 R HN 0.223 nan 8.270 nan 0.000 0.457 346 L N 2.608 123.823 121.223 -0.013 0.000 2.456 346 L HA 0.135 4.475 4.340 0.000 0.000 0.277 346 L C -0.506 176.322 176.870 -0.070 0.000 1.124 346 L CA 0.387 55.178 54.840 -0.081 0.000 0.880 346 L CB 0.155 42.168 42.059 -0.077 0.000 1.192 346 L HN 0.419 nan 8.230 nan 0.000 0.463 347 D N 4.750 125.078 120.400 -0.120 0.000 2.359 347 D HA 0.160 4.801 4.640 0.000 0.000 0.230 347 D C -0.801 175.429 176.300 -0.116 0.000 1.118 347 D CA -0.101 53.870 54.000 -0.048 0.000 0.844 347 D CB 0.310 41.094 40.800 -0.025 0.000 1.059 347 D HN 0.349 nan 8.370 nan 0.000 0.493 348 F N 3.339 123.277 119.950 -0.020 0.000 2.626 348 F HA 0.173 4.701 4.527 0.000 0.000 0.353 348 F C 1.368 177.235 175.800 0.112 0.000 1.230 348 F CA -0.408 57.585 58.000 -0.011 0.000 1.298 348 F CB 0.088 38.961 39.000 -0.212 0.000 1.670 348 F HN 0.128 nan 8.300 nan 0.000 0.633 349 Q N 1.093 120.999 119.800 0.177 0.000 2.443 349 Q HA 0.348 4.688 4.340 0.000 0.000 0.232 349 Q C 0.052 176.132 176.000 0.133 0.000 1.026 349 Q CA -0.442 55.424 55.803 0.105 0.000 0.924 349 Q CB 0.882 29.628 28.738 0.014 0.000 1.256 349 Q HN 0.358 nan 8.270 nan 0.000 0.519 350 R N -0.440 120.039 120.500 -0.036 0.000 2.460 350 R HA 0.641 4.981 4.340 0.000 0.000 0.303 350 R C -0.343 175.842 176.300 -0.191 0.000 0.968 350 R CA -0.045 55.953 56.100 -0.169 0.000 0.889 350 R CB 1.810 31.916 30.300 -0.322 0.000 1.123 350 R HN 0.742 nan 8.270 nan 0.000 0.455 351 G N -0.089 108.548 108.800 -0.273 0.000 2.766 351 G HA2 0.551 4.511 3.960 0.000 0.000 0.288 351 G HA3 0.551 4.511 3.960 0.000 0.000 0.288 351 G C -1.575 173.155 174.900 -0.284 0.000 1.408 351 G CA -0.562 44.404 45.100 -0.223 0.000 0.852 351 G HN 0.337 nan 8.290 nan 0.000 0.487 352 V N 0.931 120.728 119.914 -0.196 0.000 2.349 352 V HA 0.355 4.475 4.120 0.000 0.000 0.284 352 V C -0.602 175.411 176.094 -0.136 0.000 1.014 352 V CA -0.692 61.502 62.300 -0.177 0.000 0.826 352 V CB 1.067 32.816 31.823 -0.124 0.000 1.009 352 V HN 0.541 nan 8.190 nan 0.000 0.431 353 L N 6.092 127.228 121.223 -0.144 0.000 2.331 353 L HA 0.542 4.883 4.340 0.000 0.000 0.278 353 L C 0.151 176.981 176.870 -0.066 0.000 1.106 353 L CA 0.681 55.465 54.840 -0.093 0.000 0.824 353 L CB 0.898 42.903 42.059 -0.091 0.000 1.142 353 L HN 0.915 nan 8.230 nan 0.000 0.443 354 Q N 4.453 124.226 119.800 -0.046 0.000 2.522 354 Q HA 0.471 4.811 4.340 0.000 0.000 0.285 354 Q C -1.268 174.718 176.000 -0.023 0.000 0.982 354 Q CA -1.032 54.750 55.803 -0.034 0.000 0.805 354 Q CB 1.600 30.315 28.738 -0.038 0.000 1.457 354 Q HN 0.505 nan 8.270 nan 0.000 0.394 355 R N 1.612 122.102 120.500 -0.016 0.000 2.357 355 R HA 0.259 4.599 4.340 0.000 0.000 0.296 355 R C 0.241 176.532 176.300 -0.015 0.000 1.052 355 R CA -0.191 55.903 56.100 -0.010 0.000 0.988 355 R CB 0.584 30.882 30.300 -0.004 0.000 1.025 355 R HN 0.745 nan 8.270 nan 0.000 0.469 356 N N 2.043 120.734 118.700 -0.015 0.000 2.547 356 N HA 0.129 4.869 4.740 0.000 0.000 0.301 356 N C 0.766 176.267 175.510 -0.015 0.000 1.328 356 N CA -0.072 52.966 53.050 -0.020 0.000 0.932 356 N CB -0.364 38.107 38.487 -0.027 0.000 1.104 356 N HN 0.402 nan 8.380 nan 0.000 0.548 357 A N -0.642 122.169 122.820 -0.016 0.000 1.898 357 A HA -0.116 4.204 4.320 0.000 0.000 0.216 357 A C 0.967 178.547 177.584 -0.008 0.000 1.181 357 A CA 1.828 53.858 52.037 -0.012 0.000 0.620 357 A CB -1.041 17.951 19.000 -0.014 0.000 0.819 357 A HN 0.727 nan 8.150 nan 0.000 0.442 358 D N -0.826 119.569 120.400 -0.008 0.000 2.338 358 D HA 0.346 4.987 4.640 0.000 0.000 0.239 358 D C 1.183 177.485 176.300 0.003 0.000 1.095 358 D CA 0.990 54.989 54.000 -0.002 0.000 0.888 358 D CB -0.246 40.553 40.800 -0.001 0.000 0.899 358 D HN 0.587 nan 8.370 nan 0.000 0.525 359 G N 0.753 109.554 108.800 0.001 0.000 2.153 359 G HA2 -0.352 3.608 3.960 0.000 0.000 0.252 359 G HA3 -0.352 3.608 3.960 0.000 0.000 0.252 359 G C 0.149 175.055 174.900 0.010 0.000 0.994 359 G CA 0.039 45.142 45.100 0.005 0.000 0.698 359 G HN 0.379 nan 8.290 nan 0.000 0.521 360 E N -0.631 119.574 120.200 0.008 0.000 2.283 360 E HA 0.605 4.955 4.350 0.000 0.000 0.278 360 E C 0.265 176.871 176.600 0.011 0.000 1.027 360 E CA -0.785 55.624 56.400 0.016 0.000 0.843 360 E CB 0.630 30.335 29.700 0.009 0.000 1.062 360 E HN 0.182 nan 8.360 nan 0.000 0.401 361 L N 4.591 125.830 121.223 0.027 0.000 2.319 361 L HA 0.273 4.613 4.340 0.000 0.000 0.280 361 L C -0.380 176.499 176.870 0.016 0.000 1.099 361 L CA 0.465 55.317 54.840 0.021 0.000 0.828 361 L CB 0.430 42.510 42.059 0.035 0.000 1.150 361 L HN 0.633 nan 8.230 nan 0.000 0.442 362 E N 3.949 124.142 120.200 -0.011 0.000 2.393 362 E HA 0.695 5.045 4.350 0.000 0.000 0.273 362 E C -1.616 174.961 176.600 -0.038 0.000 0.918 362 E CA -1.042 55.340 56.400 -0.030 0.000 0.773 362 E CB 1.908 31.575 29.700 -0.055 0.000 1.275 362 E HN 0.260 nan 8.360 nan 0.000 0.451 363 V N -0.440 119.447 119.914 -0.045 0.000 2.667 363 V HA 0.696 4.816 4.120 0.000 0.000 0.308 363 V C -0.253 175.801 176.094 -0.066 0.000 1.048 363 V CA -0.561 61.703 62.300 -0.059 0.000 0.928 363 V CB 1.412 33.202 31.823 -0.055 0.000 1.004 363 V HN 0.783 nan 8.190 nan 0.000 0.444 364 T N 1.692 116.200 114.554 -0.076 0.000 2.907 364 T HA 0.481 4.831 4.350 0.000 0.000 0.292 364 T C -0.051 174.599 174.700 -0.083 0.000 1.043 364 T CA -0.252 61.805 62.100 -0.072 0.000 1.003 364 T CB 1.806 70.634 68.868 -0.066 0.000 1.084 364 T HN 1.058 nan 8.240 nan 0.000 0.483 365 T N 0.669 115.179 114.554 -0.074 0.000 2.898 365 T HA 0.214 4.564 4.350 0.000 0.000 0.301 365 T C 1.694 176.344 174.700 -0.084 0.000 1.049 365 T CA 0.199 62.251 62.100 -0.080 0.000 1.095 365 T CB 0.464 69.291 68.868 -0.067 0.000 0.976 365 T HN 0.773 nan 8.240 nan 0.000 0.539 366 T N 0.903 115.398 114.554 -0.099 0.000 3.043 366 T HA 0.461 4.811 4.350 0.000 0.000 0.263 366 T C 1.265 175.929 174.700 -0.060 0.000 1.094 366 T CA 0.605 62.647 62.100 -0.096 0.000 1.127 366 T CB -0.297 68.490 68.868 -0.134 0.000 0.905 366 T HN 1.199 nan 8.240 nan 0.000 0.490 367 G N 0.454 109.226 108.800 -0.047 0.000 2.240 367 G HA2 0.048 4.008 3.960 0.000 0.000 0.199 367 G HA3 0.048 4.008 3.960 0.000 0.000 0.199 367 G C -1.016 173.893 174.900 0.014 0.000 1.342 367 G CA -0.564 44.532 45.100 -0.006 0.000 1.145 367 G HN 0.657 nan 8.290 nan 0.000 0.477 368 H N 1.584 120.647 119.070 -0.012 0.000 3.004 368 H HA 0.396 4.952 4.556 0.000 0.000 0.316 368 H C 1.266 176.593 175.328 -0.003 0.000 1.014 368 H CA 0.532 56.593 56.048 0.022 0.000 1.454 368 H CB 0.888 30.703 29.762 0.087 0.000 1.472 368 H HN 0.310 nan 8.280 nan 0.000 0.571 369 Q N 3.799 123.550 119.800 -0.082 0.000 2.320 369 Q HA 0.130 4.471 4.340 0.000 0.000 0.201 369 Q C 0.798 176.878 176.000 0.133 0.000 0.910 369 Q CA 0.335 56.134 55.803 -0.006 0.000 0.946 369 Q CB 0.498 29.194 28.738 -0.069 0.000 1.062 369 Q HN 0.811 nan 8.270 nan 0.000 0.503 370 G N 1.186 110.285 108.800 0.497 0.000 2.554 370 G HA2 0.099 4.059 3.960 0.000 0.000 0.238 370 G HA3 0.099 4.059 3.960 0.000 0.000 0.238 370 G C 0.703 175.799 174.900 0.327 0.000 1.259 370 G CA 0.079 45.509 45.100 0.550 0.000 0.843 370 G HN 0.271 nan 8.290 nan 0.000 0.582 371 S N 0.064 115.939 115.700 0.292 0.000 2.710 371 S HA -0.029 4.441 4.470 0.000 0.000 0.224 371 S C 1.399 176.132 174.600 0.222 0.000 0.948 371 S CA 0.486 58.811 58.200 0.208 0.000 0.949 371 S CB -0.351 62.965 63.200 0.193 0.000 0.778 371 S HN 0.845 nan 8.310 nan 0.000 0.498 372 H N 1.367 120.500 119.070 0.106 0.000 2.548 372 H HA 0.394 4.950 4.556 0.000 0.000 0.265 372 H C 0.590 175.973 175.328 0.092 0.000 0.969 372 H CA -0.177 55.919 56.048 0.081 0.000 1.155 372 H CB -0.471 29.307 29.762 0.027 0.000 1.394 372 H HN 0.693 nan 8.280 nan 0.000 0.570 373 I N -4.593 115.789 120.570 -0.314 0.000 2.934 373 I HA 0.338 4.508 4.170 0.000 0.000 0.306 373 I C -0.374 175.783 176.117 0.066 0.000 1.110 373 I CA -1.288 59.906 61.300 -0.176 0.000 1.019 373 I CB 1.823 39.605 38.000 -0.365 0.000 1.227 373 I HN -0.181 nan 8.210 nan 0.000 0.434 374 F N 1.571 121.521 119.950 0.001 0.000 2.706 374 F HA 0.091 4.618 4.527 0.000 0.000 0.308 374 F C 2.332 178.204 175.800 0.120 0.000 1.095 374 F CA 0.722 58.799 58.000 0.129 0.000 1.244 374 F CB 0.521 39.608 39.000 0.146 0.000 1.063 374 F HN 0.657 nan 8.300 nan 0.000 0.582 375 S N -0.636 115.126 115.700 0.102 0.000 2.440 375 S HA -0.204 4.266 4.470 0.000 0.000 0.238 375 S C 2.186 176.742 174.600 -0.073 0.000 1.010 375 S CA 1.220 59.444 58.200 0.040 0.000 0.972 375 S CB -1.109 62.106 63.200 0.024 0.000 0.774 375 S HN 0.437 nan 8.310 nan 0.000 0.501 376 S N 1.079 116.653 115.700 -0.210 0.000 2.419 376 S HA -0.018 4.452 4.470 0.000 0.000 0.233 376 S C 1.467 175.845 174.600 -0.371 0.000 1.016 376 S CA 0.697 58.712 58.200 -0.308 0.000 0.974 376 S CB -1.091 61.859 63.200 -0.416 0.000 0.786 376 S HN 0.563 nan 8.310 nan 0.000 0.492 377 F N 1.694 121.430 119.950 -0.355 0.000 2.234 377 F HA 0.037 4.564 4.527 0.000 0.000 0.299 377 F C 3.094 178.789 175.800 -0.175 0.000 1.087 377 F CA 1.032 58.742 58.000 -0.484 0.000 1.340 377 F CB -0.317 38.148 39.000 -0.891 0.000 1.031 377 F HN 0.349 nan 8.300 nan 0.000 0.500 378 S N 0.088 115.836 115.700 0.080 0.000 2.388 378 S HA -0.024 4.446 4.470 0.000 0.000 0.223 378 S C 1.980 176.617 174.600 0.061 0.000 1.034 378 S CA 0.601 58.867 58.200 0.110 0.000 0.963 378 S CB -0.304 62.965 63.200 0.115 0.000 0.827 378 S HN 0.286 nan 8.310 nan 0.000 0.481 379 L N 1.025 122.251 121.223 0.004 0.000 2.201 379 L HA 0.170 4.510 4.340 0.000 0.000 0.212 379 L C 1.594 178.425 176.870 -0.065 0.000 1.105 379 L CA 0.557 55.380 54.840 -0.028 0.000 0.775 379 L CB -0.666 41.362 42.059 -0.050 0.000 0.913 379 L HN 0.355 nan 8.230 nan 0.000 0.440 380 G N -0.496 108.249 108.800 -0.093 0.000 2.531 380 G HA2 0.266 4.226 3.960 0.000 0.000 0.313 380 G HA3 0.266 4.226 3.960 0.000 0.000 0.313 380 G C 0.084 174.797 174.900 -0.311 0.000 1.238 380 G CA -0.158 44.801 45.100 -0.234 0.000 0.994 380 G HN 0.313 nan 8.290 nan 0.000 0.493 381 N N -2.490 115.803 118.700 -0.679 0.000 2.116 381 N HA 0.139 4.879 4.740 0.000 0.000 0.230 381 N C -0.044 174.696 175.510 -1.284 0.000 1.326 381 N CA 0.175 52.797 53.050 -0.712 0.000 0.867 381 N CB -0.367 37.965 38.487 -0.259 0.000 1.174 381 N HN 0.847 nan 8.380 nan 0.000 0.506 382 C N -2.380 115.832 119.300 -1.814 0.000 3.306 382 C HA 0.749 5.209 4.460 0.000 0.000 0.335 382 C C -1.538 172.919 174.990 -0.889 0.000 1.382 382 C CA -1.617 56.669 59.018 -1.220 0.000 1.254 382 C CB 0.061 27.536 27.740 -0.441 0.000 1.555 382 C HN 0.049 nan 8.230 nan 0.000 0.463 383 F N 1.215 121.103 119.950 -0.104 0.000 2.421 383 F HA 0.689 5.216 4.527 0.000 0.000 0.337 383 F C 0.501 176.301 175.800 0.000 0.000 1.105 383 F CA -0.734 57.314 58.000 0.081 0.000 1.049 383 F CB 1.432 40.629 39.000 0.328 0.000 1.139 383 F HN 0.424 nan 8.300 nan 0.000 0.479 384 I N 4.522 125.188 120.570 0.159 0.000 2.307 384 I HA 0.178 4.349 4.170 0.000 0.000 0.287 384 I C -0.707 175.410 176.117 0.000 0.000 1.054 384 I CA -0.662 60.665 61.300 0.045 0.000 1.218 384 I CB 0.785 38.782 38.000 -0.006 0.000 1.398 384 I HN 0.217 nan 8.210 nan 0.000 0.475 385 V N 7.753 127.629 119.914 -0.063 0.000 2.326 385 V HA 0.151 4.271 4.120 0.000 0.000 0.249 385 V C 0.474 176.431 176.094 -0.229 0.000 1.114 385 V CA -0.192 61.933 62.300 -0.292 0.000 1.028 385 V CB -0.279 31.335 31.823 -0.348 0.000 1.170 385 V HN 0.500 nan 8.190 nan 0.000 0.494 386 L N 4.068 125.165 121.223 -0.209 0.000 2.319 386 L HA 0.352 4.692 4.340 0.000 0.000 0.280 386 L C 0.663 177.443 176.870 -0.149 0.000 1.099 386 L CA -0.567 54.193 54.840 -0.134 0.000 0.828 386 L CB 0.677 42.683 42.059 -0.088 0.000 1.150 386 L HN 0.535 nan 8.230 nan 0.000 0.442 387 E N 1.877 122.013 120.200 -0.107 0.000 2.467 387 E HA -0.095 4.255 4.350 0.000 0.000 0.264 387 E C 0.969 177.524 176.600 -0.075 0.000 1.020 387 E CA 0.171 56.516 56.400 -0.092 0.000 0.945 387 E CB 0.468 30.132 29.700 -0.061 0.000 0.942 387 E HN 0.373 nan 8.360 nan 0.000 0.449 388 R N 2.056 122.516 120.500 -0.068 0.000 2.113 388 R HA -0.232 4.108 4.340 0.000 0.000 0.244 388 R C 0.591 176.872 176.300 -0.032 0.000 1.142 388 R CA 2.025 58.097 56.100 -0.046 0.000 0.953 388 R CB 0.042 30.320 30.300 -0.037 0.000 0.860 388 R HN 0.546 nan 8.270 nan 0.000 0.438 389 D N -0.195 120.187 120.400 -0.030 0.000 2.347 389 D HA -0.043 4.597 4.640 0.000 0.000 0.213 389 D C 0.483 176.770 176.300 -0.020 0.000 0.985 389 D CA 0.261 54.248 54.000 -0.021 0.000 0.879 389 D CB -0.087 40.702 40.800 -0.019 0.000 0.919 389 D HN 0.183 nan 8.370 nan 0.000 0.526 390 R N 0.296 120.781 120.500 -0.025 0.000 2.694 390 R HA 0.334 4.674 4.340 0.000 0.000 0.268 390 R C 0.713 177.001 176.300 -0.020 0.000 1.061 390 R CA 0.098 56.185 56.100 -0.022 0.000 1.133 390 R CB 0.610 30.894 30.300 -0.027 0.000 1.020 390 R HN 0.036 nan 8.270 nan 0.000 0.475 391 G N 1.277 110.067 108.800 -0.017 0.000 3.008 391 G HA2 0.140 4.100 3.960 0.000 0.000 0.181 391 G HA3 0.140 4.100 3.960 0.000 0.000 0.181 391 G C -0.803 174.085 174.900 -0.019 0.000 1.309 391 G CA -0.746 44.344 45.100 -0.016 0.000 1.009 391 G HN 0.611 nan 8.290 nan 0.000 0.584 392 N N -0.665 118.023 118.700 -0.019 0.000 2.345 392 N HA 0.170 4.910 4.740 0.000 0.000 0.243 392 N C -0.290 175.206 175.510 -0.023 0.000 1.246 392 N CA 0.167 53.203 53.050 -0.023 0.000 0.863 392 N CB 1.160 39.633 38.487 -0.023 0.000 1.096 392 N HN 0.142 nan 8.380 nan 0.000 0.446 393 V N 1.773 121.670 119.914 -0.028 0.000 2.448 393 V HA 0.250 4.370 4.120 0.000 0.000 0.295 393 V C 0.136 176.209 176.094 -0.036 0.000 1.025 393 V CA -0.858 61.425 62.300 -0.028 0.000 0.859 393 V CB 1.766 33.572 31.823 -0.028 0.000 0.988 393 V HN 0.471 nan 8.190 nan 0.000 0.431 394 E N 2.310 122.486 120.200 -0.039 0.000 2.283 394 E HA 0.423 4.773 4.350 0.000 0.000 0.271 394 E C -0.258 176.304 176.600 -0.063 0.000 1.031 394 E CA -0.696 55.676 56.400 -0.046 0.000 0.868 394 E CB 2.085 31.759 29.700 -0.043 0.000 1.094 394 E HN 0.385 nan 8.360 nan 0.000 0.401 395 V N 1.445 121.320 119.914 -0.066 0.000 2.720 395 V HA 0.138 4.258 4.120 0.000 0.000 0.307 395 V C 1.581 177.609 176.094 -0.109 0.000 1.071 395 V CA 1.959 64.209 62.300 -0.082 0.000 1.199 395 V CB 0.150 31.930 31.823 -0.072 0.000 0.900 395 V HN 1.027 nan 8.190 nan 0.000 0.494 396 G N 3.105 111.815 108.800 -0.150 0.000 2.217 396 G HA2 -0.203 3.757 3.960 0.000 0.000 0.246 396 G HA3 -0.203 3.757 3.960 0.000 0.000 0.246 396 G C 0.126 174.851 174.900 -0.291 0.000 0.990 396 G CA 0.219 45.188 45.100 -0.218 0.000 0.627 396 G HN 0.671 nan 8.290 nan 0.000 0.522 397 E N -0.706 119.376 120.200 -0.197 0.000 2.374 397 E HA 0.381 4.731 4.350 0.000 0.000 0.260 397 E C -0.213 176.293 176.600 -0.157 0.000 1.101 397 E CA -0.752 55.554 56.400 -0.157 0.000 0.907 397 E CB 0.563 30.232 29.700 -0.051 0.000 1.014 397 E HN 0.372 nan 8.360 nan 0.000 0.427 398 W N 1.336 122.621 121.300 -0.026 0.000 2.261 398 W HA 0.375 5.035 4.660 0.000 0.000 0.323 398 W C -0.258 176.242 176.519 -0.032 0.000 1.243 398 W CA -0.287 57.042 57.345 -0.027 0.000 1.210 398 W CB 0.920 30.366 29.460 -0.023 0.000 1.149 398 W HN 0.125 nan 8.180 nan 0.000 0.562 399 V N 3.286 123.371 119.914 0.283 0.000 3.087 399 V HA 0.267 4.387 4.120 0.000 0.000 0.306 399 V C -0.649 175.509 176.094 0.106 0.000 1.187 399 V CA -1.028 61.350 62.300 0.130 0.000 0.999 399 V CB 2.212 34.072 31.823 0.061 0.000 1.049 399 V HN 0.357 nan 8.190 nan 0.000 0.431 400 E N 2.443 122.668 120.200 0.042 0.000 2.283 400 E HA 0.501 4.851 4.350 0.000 0.000 0.278 400 E C -1.131 175.487 176.600 0.030 0.000 1.027 400 E CA -0.095 56.319 56.400 0.023 0.000 0.843 400 E CB 1.984 31.676 29.700 -0.014 0.000 1.062 400 E HN 0.374 nan 8.360 nan 0.000 0.401 401 V N 2.521 122.463 119.914 0.047 0.000 2.656 401 V HA 0.219 4.339 4.120 0.000 0.000 0.307 401 V C -0.291 175.861 176.094 0.096 0.000 1.051 401 V CA -0.682 61.652 62.300 0.058 0.000 0.893 401 V CB 2.131 33.973 31.823 0.031 0.000 0.999 401 V HN 0.610 nan 8.190 nan 0.000 0.426 402 E N 5.983 126.283 120.200 0.166 0.000 2.186 402 E HA 0.453 4.803 4.350 0.000 0.000 0.255 402 E C -2.736 174.011 176.600 0.246 0.000 0.881 402 E CA -2.105 54.445 56.400 0.250 0.000 0.752 402 E CB 2.210 32.146 29.700 0.393 0.000 1.176 402 E HN 0.396 nan 8.360 nan 0.000 0.421 403 P HA 0.014 nan 4.420 nan 0.000 0.268 403 P C -0.667 176.818 177.300 0.309 0.000 1.205 403 P CA -0.063 63.100 63.100 0.105 0.000 0.771 403 P CB 0.202 31.960 31.700 0.096 0.000 0.858 404 F N 2.472 122.479 119.950 0.095 0.000 2.518 404 F HA 0.063 4.590 4.527 0.000 0.000 0.359 404 F C 1.563 177.531 175.800 0.280 0.000 1.118 404 F CA -0.347 57.767 58.000 0.189 0.000 1.287 404 F CB -0.503 38.562 39.000 0.110 0.000 1.132 404 F HN 0.366 nan 8.300 nan 0.000 0.587 405 N N 1.505 120.549 118.700 0.574 0.000 2.443 405 N HA 0.338 5.078 4.740 0.000 0.000 0.294 405 N C 0.744 176.412 175.510 0.264 0.000 1.289 405 N CA -0.015 53.245 53.050 0.351 0.000 0.966 405 N CB -0.296 38.357 38.487 0.276 0.000 1.122 405 N HN 0.450 nan 8.380 nan 0.000 0.569 406 A N -0.721 122.194 122.820 0.157 0.000 2.131 406 A HA -0.035 4.285 4.320 0.000 0.000 0.220 406 A C 2.088 179.684 177.584 0.020 0.000 1.158 406 A CA 0.804 52.899 52.037 0.096 0.000 0.665 406 A CB -1.117 17.924 19.000 0.069 0.000 0.795 406 A HN 0.611 nan 8.150 nan 0.000 0.460 407 L N -2.388 118.802 121.223 -0.055 0.000 2.191 407 L HA -0.116 4.225 4.340 0.000 0.000 0.212 407 L C 1.397 177.959 176.870 -0.514 0.000 1.103 407 L CA 1.117 55.770 54.840 -0.313 0.000 0.769 407 L CB -0.353 41.436 42.059 -0.451 0.000 0.908 407 L HN 0.487 nan 8.230 nan 0.000 0.438 408 F N -0.787 119.175 119.950 0.021 0.000 2.654 408 F HA 0.353 4.880 4.527 0.000 0.000 0.303 408 F C 1.624 177.471 175.800 0.078 0.000 1.099 408 F CA 0.092 58.076 58.000 -0.026 0.000 1.270 408 F CB 0.172 39.025 39.000 -0.245 0.000 1.024 408 F HN 0.108 nan 8.300 nan 0.000 0.548 409 G N 0.928 109.829 108.800 0.167 0.000 2.566 409 G HA2 -0.034 3.926 3.960 0.000 0.000 0.280 409 G HA3 -0.034 3.926 3.960 0.000 0.000 0.280 409 G C 0.286 175.292 174.900 0.178 0.000 1.225 409 G CA -0.375 44.810 45.100 0.142 0.000 0.966 409 G HN 0.729 nan 8.290 nan 0.000 0.560 410 G N 0.000 108.881 108.800 0.135 0.000 5.446 410 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 410 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 410 G CA 0.000 45.169 45.100 0.116 0.000 0.502 410 G HN 0.000 nan 8.290 nan 0.000 0.925