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 2o7f_1_B DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHFLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.308 177.300 0.014 0.000 1.155 7 P CA 0.000 63.106 63.100 0.011 0.000 0.800 7 P CB 0.000 31.705 31.700 0.009 0.000 0.726 8 K N 0.603 121.012 120.400 0.014 0.000 2.513 8 K HA 0.624 4.947 4.320 0.004 0.000 0.251 8 K C -2.742 173.868 176.600 0.016 0.000 0.939 8 K CA -1.334 54.964 56.287 0.018 0.000 0.793 8 K CB 1.760 34.272 32.500 0.019 0.000 1.241 8 K HN 0.046 nan 8.250 nan 0.000 0.431 9 P HA 0.097 nan 4.420 nan 0.000 0.268 9 P C -1.535 175.772 177.300 0.013 0.000 1.208 9 P CA -0.314 62.796 63.100 0.017 0.000 0.777 9 P CB 0.937 32.650 31.700 0.022 0.000 0.875 10 A N 1.931 124.757 122.820 0.010 0.000 2.356 10 A HA 0.547 4.869 4.320 0.004 0.000 0.310 10 A C -0.930 176.656 177.584 0.003 0.000 1.075 10 A CA -0.593 51.447 52.037 0.005 0.000 0.746 10 A CB 1.118 20.121 19.000 0.004 0.000 1.221 10 A HN 0.328 nan 8.150 nan 0.000 0.443 11 V N 2.521 122.434 119.914 -0.002 0.000 2.350 11 V HA 0.289 4.412 4.120 0.004 0.000 0.276 11 V C 0.274 176.364 176.094 -0.007 0.000 1.028 11 V CA -0.330 61.967 62.300 -0.004 0.000 0.860 11 V CB 1.210 33.026 31.823 -0.012 0.000 0.990 11 V HN 0.957 nan 8.190 nan 0.000 0.453 12 E N 4.663 124.862 120.200 -0.002 0.000 2.044 12 E HA 0.336 4.689 4.350 0.004 0.000 0.282 12 E C -0.828 175.770 176.600 -0.003 0.000 1.031 12 E CA -0.787 55.612 56.400 -0.002 0.000 0.824 12 E CB 1.133 30.834 29.700 0.002 0.000 1.076 12 E HN 0.576 nan 8.360 nan 0.000 0.395 13 L N 5.373 126.590 121.223 -0.009 0.000 2.313 13 L HA 0.238 4.580 4.340 0.004 0.000 0.282 13 L C -0.077 176.791 176.870 -0.004 0.000 1.092 13 L CA 0.605 55.438 54.840 -0.012 0.000 0.831 13 L CB 1.122 43.167 42.059 -0.023 0.000 1.159 13 L HN 0.708 nan 8.230 nan 0.000 0.442 14 D N 2.922 123.325 120.400 0.005 0.000 3.061 14 D HA 0.174 4.817 4.640 0.004 0.000 0.243 14 D C 1.333 177.642 176.300 0.015 0.000 1.572 14 D CA 0.675 54.682 54.000 0.011 0.000 1.269 14 D CB 0.710 41.521 40.800 0.018 0.000 1.023 14 D HN 0.585 nan 8.370 nan 0.000 0.280 15 R N -1.589 118.932 120.500 0.034 0.000 2.215 15 R HA 0.193 4.536 4.340 0.004 0.000 0.190 15 R C 0.256 176.602 176.300 0.077 0.000 0.968 15 R CA -0.138 55.990 56.100 0.047 0.000 1.122 15 R CB 0.456 30.787 30.300 0.052 0.000 1.151 15 R HN 0.211 nan 8.270 nan 0.000 0.582 16 H N 0.132 119.195 119.070 -0.012 0.000 2.492 16 H HA 0.543 5.102 4.556 0.004 0.000 0.345 16 H C -1.382 173.940 175.328 -0.010 0.000 1.136 16 H CA -0.635 55.405 56.048 -0.013 0.000 1.202 16 H CB 1.393 31.148 29.762 -0.012 0.000 1.524 16 H HN 0.016 nan 8.280 nan 0.000 0.506 17 I N 4.365 124.597 120.570 -0.563 0.000 2.569 17 I HA 0.253 4.426 4.170 0.004 0.000 0.290 17 I C -1.186 174.645 176.117 -0.477 0.000 1.088 17 I CA -0.863 60.235 61.300 -0.337 0.000 1.047 17 I CB 1.451 39.340 38.000 -0.186 0.000 1.237 17 I HN 0.837 nan 8.210 nan 0.000 0.421 18 D N 6.156 126.438 120.400 -0.197 0.000 2.387 18 D HA 0.213 4.855 4.640 0.004 0.000 0.251 18 D C 1.027 177.296 176.300 -0.052 0.000 1.141 18 D CA -0.581 53.367 54.000 -0.087 0.000 0.987 18 D CB 0.980 41.810 40.800 0.050 0.000 1.116 18 D HN 0.501 nan 8.370 nan 0.000 0.491 19 L N -0.347 120.871 121.223 -0.008 0.000 2.127 19 L HA -0.148 4.195 4.340 0.004 0.000 0.211 19 L C 1.428 178.337 176.870 0.064 0.000 1.089 19 L CA 1.358 56.213 54.840 0.025 0.000 0.757 19 L CB -0.482 41.603 42.059 0.043 0.000 0.899 19 L HN 0.460 nan 8.230 nan 0.000 0.434 20 D N -0.286 120.152 120.400 0.063 0.000 2.123 20 D HA -0.153 4.490 4.640 0.004 0.000 0.200 20 D C 2.300 178.644 176.300 0.073 0.000 0.976 20 D CA 1.006 55.062 54.000 0.092 0.000 0.831 20 D CB -0.074 40.771 40.800 0.075 0.000 0.974 20 D HN 0.433 nan 8.370 nan 0.000 0.469 21 Q N 0.664 120.485 119.800 0.035 0.000 2.050 21 Q HA -0.074 4.269 4.340 0.004 0.000 0.202 21 Q C 2.293 178.290 176.000 -0.004 0.000 0.980 21 Q CA 1.351 57.161 55.803 0.012 0.000 0.840 21 Q CB -0.134 28.600 28.738 -0.007 0.000 0.898 21 Q HN 0.185 nan 8.270 nan 0.000 0.424 22 A N 1.104 123.917 122.820 -0.012 0.000 1.883 22 A HA -0.270 4.053 4.320 0.004 0.000 0.217 22 A C 1.984 179.549 177.584 -0.032 0.000 1.186 22 A CA 1.820 53.838 52.037 -0.031 0.000 0.624 22 A CB -0.988 17.995 19.000 -0.029 0.000 0.822 22 A HN 0.470 nan 8.150 nan 0.000 0.444 23 H N -0.152 118.870 119.070 -0.081 0.000 2.423 23 H HA 0.017 4.575 4.556 0.004 0.000 0.297 23 H C 2.267 177.514 175.328 -0.135 0.000 1.075 23 H CA 1.428 57.391 56.048 -0.143 0.000 1.342 23 H CB -0.142 29.459 29.762 -0.270 0.000 1.395 23 H HN 0.425 nan 8.280 nan 0.000 0.530 24 A N 0.391 123.201 122.820 -0.018 0.000 1.902 24 A HA -0.103 4.220 4.320 0.004 0.000 0.217 24 A C 2.815 180.356 177.584 -0.072 0.000 1.181 24 A CA 1.593 53.619 52.037 -0.018 0.000 0.623 24 A CB -0.800 18.216 19.000 0.027 0.000 0.818 24 A HN 0.283 nan 8.150 nan 0.000 0.443 25 V N -0.287 119.576 119.914 -0.085 0.000 2.323 25 V HA -0.175 3.947 4.120 0.004 0.000 0.244 25 V C 3.054 179.052 176.094 -0.161 0.000 1.041 25 V CA 1.777 64.021 62.300 -0.094 0.000 1.025 25 V CB -1.261 30.512 31.823 -0.082 0.000 0.656 25 V HN 0.594 nan 8.190 nan 0.000 0.451 26 A N 0.872 123.557 122.820 -0.225 0.000 1.940 26 A HA -0.201 4.122 4.320 0.004 0.000 0.219 26 A C 2.366 179.727 177.584 -0.372 0.000 1.176 26 A CA 2.279 54.127 52.037 -0.314 0.000 0.631 26 A CB -0.644 18.175 19.000 -0.301 0.000 0.814 26 A HN 0.697 nan 8.150 nan 0.000 0.446 27 S N -2.172 113.333 115.700 -0.325 0.000 2.593 27 S HA 0.386 4.858 4.470 0.004 0.000 0.217 27 S C 1.387 176.109 174.600 0.204 0.000 0.966 27 S CA 0.990 59.148 58.200 -0.070 0.000 0.914 27 S CB -0.227 62.840 63.200 -0.222 0.000 0.776 27 S HN 1.918 nan 8.310 nan 0.000 0.523 28 G N 0.520 109.365 108.800 0.074 0.000 2.162 28 G HA2 -0.227 3.735 3.960 0.004 0.000 0.260 28 G HA3 -0.227 3.735 3.960 0.004 0.000 0.260 28 G C 0.872 175.835 174.900 0.104 0.000 0.976 28 G CA 0.150 45.351 45.100 0.167 0.000 0.655 28 G HN 0.936 nan 8.290 nan 0.000 0.533 29 G N -0.325 108.511 108.800 0.061 0.000 2.484 29 G HA2 0.523 4.485 3.960 0.004 0.000 0.218 29 G HA3 0.523 4.485 3.960 0.004 0.000 0.218 29 G C 0.704 175.627 174.900 0.038 0.000 1.130 29 G CA 1.752 46.885 45.100 0.054 0.000 0.784 29 G HN 1.813 nan 8.290 nan 0.000 0.543 30 A N -0.199 122.634 122.820 0.021 0.000 2.435 30 A HA 0.747 5.070 4.320 0.004 0.000 0.304 30 A C 0.024 177.610 177.584 0.003 0.000 1.064 30 A CA -0.916 51.129 52.037 0.013 0.000 0.727 30 A CB 1.285 20.290 19.000 0.008 0.000 1.284 30 A HN 0.409 nan 8.150 nan 0.000 0.415 31 R N 1.010 121.512 120.500 0.004 0.000 2.553 31 R HA 0.813 5.155 4.340 0.004 0.000 0.263 31 R C -0.842 175.451 176.300 -0.011 0.000 1.066 31 R CA -0.501 55.597 56.100 -0.002 0.000 1.135 31 R CB 0.965 31.266 30.300 0.002 0.000 1.148 31 R HN 0.627 nan 8.270 nan 0.000 0.558 32 I N 1.178 121.738 120.570 -0.017 0.000 2.608 32 I HA 0.440 4.613 4.170 0.004 0.000 0.295 32 I C -1.426 174.681 176.117 -0.017 0.000 1.049 32 I CA -1.210 60.078 61.300 -0.020 0.000 1.063 32 I CB 2.281 40.261 38.000 -0.032 0.000 1.248 32 I HN 0.419 nan 8.210 nan 0.000 0.424 33 V N 7.097 127.002 119.914 -0.014 0.000 2.789 33 V HA 0.376 4.499 4.120 0.004 0.000 0.311 33 V C -0.678 175.409 176.094 -0.012 0.000 1.073 33 V CA -0.741 61.552 62.300 -0.012 0.000 0.921 33 V CB 1.969 33.788 31.823 -0.007 0.000 1.009 33 V HN 0.512 nan 8.190 nan 0.000 0.426 34 L N 4.051 125.266 121.223 -0.012 0.000 2.281 34 L HA 0.731 5.073 4.340 0.004 0.000 0.285 34 L C 0.720 177.586 176.870 -0.007 0.000 1.074 34 L CA 0.360 55.193 54.840 -0.011 0.000 0.817 34 L CB 0.893 42.944 42.059 -0.014 0.000 1.168 34 L HN 0.872 nan 8.230 nan 0.000 0.434 35 A N 6.856 129.673 122.820 -0.005 0.000 2.425 35 A HA 0.372 4.694 4.320 0.004 0.000 0.242 35 A C -1.613 175.970 177.584 -0.002 0.000 1.077 35 A CA -0.763 51.273 52.037 -0.002 0.000 0.781 35 A CB -0.353 18.648 19.000 0.002 0.000 1.020 35 A HN 0.786 nan 8.150 nan 0.000 0.494 36 P HA -0.143 nan 4.420 nan 0.000 0.215 36 P C -1.457 175.842 177.300 -0.001 0.000 1.157 36 P CA 1.807 64.906 63.100 -0.002 0.000 0.874 36 P CB -0.770 30.929 31.700 -0.001 0.000 0.790 37 P HA -0.162 nan 4.420 nan 0.000 0.216 37 P C 1.417 178.718 177.300 0.002 0.000 1.150 37 P CA 2.038 65.139 63.100 0.002 0.000 0.837 37 P CB -0.615 31.087 31.700 0.004 0.000 0.786 38 A N -0.307 122.513 122.820 0.001 0.000 1.897 38 A HA -0.180 4.143 4.320 0.004 0.000 0.215 38 A C 2.395 179.978 177.584 -0.003 0.000 1.181 38 A CA 1.316 53.353 52.037 0.000 0.000 0.620 38 A CB -1.110 17.890 19.000 -0.001 0.000 0.821 38 A HN 0.007 nan 8.150 nan 0.000 0.443 39 R N -0.170 120.327 120.500 -0.005 0.000 2.091 39 R HA -0.183 4.159 4.340 0.004 0.000 0.238 39 R C 1.294 177.589 176.300 -0.008 0.000 1.136 39 R CA 1.982 58.076 56.100 -0.009 0.000 0.959 39 R CB -0.365 29.930 30.300 -0.009 0.000 0.856 39 R HN 0.467 nan 8.270 nan 0.000 0.437 40 D N 0.028 120.426 120.400 -0.005 0.000 2.117 40 D HA -0.128 4.514 4.640 0.004 0.000 0.198 40 D C 2.050 178.349 176.300 -0.002 0.000 0.982 40 D CA 1.035 55.032 54.000 -0.004 0.000 0.828 40 D CB -0.194 40.606 40.800 -0.001 0.000 0.967 40 D HN 0.293 nan 8.370 nan 0.000 0.464 41 R N 0.139 120.640 120.500 0.001 0.000 2.096 41 R HA -0.077 4.266 4.340 0.004 0.000 0.235 41 R C 2.470 178.773 176.300 0.005 0.000 1.127 41 R CA 0.916 57.020 56.100 0.006 0.000 0.968 41 R CB -0.481 29.824 30.300 0.009 0.000 0.861 41 R HN 0.235 nan 8.270 nan 0.000 0.440 42 C N -0.122 119.178 119.300 -0.000 0.000 2.457 42 C HA 0.015 4.478 4.460 0.004 0.000 0.278 42 C C 2.564 177.545 174.990 -0.014 0.000 1.309 42 C CA 0.345 59.360 59.018 -0.005 0.000 1.735 42 C CB -0.729 27.005 27.740 -0.011 0.000 1.992 42 C HN 0.451 nan 8.230 nan 0.000 0.493 43 R N 1.134 121.625 120.500 -0.016 0.000 2.092 43 R HA -0.078 4.264 4.340 0.004 0.000 0.231 43 R C 2.376 178.666 176.300 -0.017 0.000 1.119 43 R CA 1.536 57.624 56.100 -0.021 0.000 0.970 43 R CB -0.429 29.862 30.300 -0.016 0.000 0.864 43 R HN 0.538 nan 8.270 nan 0.000 0.440 44 A N 0.188 123.003 122.820 -0.009 0.000 1.930 44 A HA -0.156 4.166 4.320 0.004 0.000 0.217 44 A C 2.164 179.743 177.584 -0.009 0.000 1.175 44 A CA 1.742 53.776 52.037 -0.006 0.000 0.627 44 A CB -0.479 18.523 19.000 0.003 0.000 0.815 44 A HN 0.283 nan 8.150 nan 0.000 0.443 45 S N -0.903 114.795 115.700 -0.003 0.000 2.406 45 S HA -0.154 4.319 4.470 0.004 0.000 0.228 45 S C 1.977 176.544 174.600 -0.056 0.000 1.020 45 S CA 1.383 59.582 58.200 -0.002 0.000 0.965 45 S CB -0.304 62.919 63.200 0.039 0.000 0.798 45 S HN 0.668 nan 8.310 nan 0.000 0.488 46 E N 0.336 120.507 120.200 -0.049 0.000 2.110 46 E HA -0.109 4.244 4.350 0.004 0.000 0.193 46 E C 2.010 178.569 176.600 -0.068 0.000 0.988 46 E CA 1.017 57.377 56.400 -0.066 0.000 0.804 46 E CB -0.288 29.377 29.700 -0.057 0.000 0.745 46 E HN 0.611 nan 8.360 nan 0.000 0.458 47 A N 1.077 123.867 122.820 -0.050 0.000 1.968 47 A HA -0.106 4.216 4.320 0.004 0.000 0.217 47 A C 2.089 179.631 177.584 -0.069 0.000 1.169 47 A CA 0.904 52.916 52.037 -0.043 0.000 0.638 47 A CB -0.275 18.711 19.000 -0.024 0.000 0.812 47 A HN 0.147 nan 8.150 nan 0.000 0.446 48 R N -1.099 119.346 120.500 -0.092 0.000 2.075 48 R HA -0.068 4.274 4.340 0.004 0.000 0.232 48 R C 2.077 178.227 176.300 -0.250 0.000 1.126 48 R CA 1.301 57.330 56.100 -0.119 0.000 0.963 48 R CB -0.583 29.672 30.300 -0.075 0.000 0.858 48 R HN 0.482 nan 8.270 nan 0.000 0.435 49 L N 0.775 121.767 121.223 -0.385 0.000 2.042 49 L HA -0.047 4.296 4.340 0.004 0.000 0.210 49 L C 2.126 178.847 176.870 -0.249 0.000 1.076 49 L CA 2.153 56.672 54.840 -0.535 0.000 0.749 49 L CB -1.065 40.714 42.059 -0.465 0.000 0.893 49 L HN 0.173 nan 8.230 nan 0.000 0.432 50 G N -1.063 107.653 108.800 -0.140 0.000 2.440 50 G HA2 -0.271 3.691 3.960 0.004 0.000 0.218 50 G HA3 -0.271 3.691 3.960 0.004 0.000 0.218 50 G C 1.593 176.457 174.900 -0.060 0.000 1.154 50 G CA 0.917 45.976 45.100 -0.069 0.000 0.767 50 G HN 0.664 nan 8.290 nan 0.000 0.552 51 A N 0.026 122.808 122.820 -0.064 0.000 1.898 51 A HA 0.111 4.434 4.320 0.004 0.000 0.216 51 A C 2.600 180.167 177.584 -0.027 0.000 1.181 51 A CA 1.715 53.730 52.037 -0.036 0.000 0.620 51 A CB -0.615 18.369 19.000 -0.027 0.000 0.819 51 A HN 0.253 nan 8.150 nan 0.000 0.442 52 V N 0.312 120.194 119.914 -0.054 0.000 2.332 52 V HA -0.287 3.836 4.120 0.004 0.000 0.248 52 V C 2.412 178.513 176.094 0.011 0.000 1.055 52 V CA 2.146 64.442 62.300 -0.008 0.000 1.038 52 V CB -0.636 31.167 31.823 -0.034 0.000 0.651 52 V HN 0.581 nan 8.190 nan 0.000 0.450 53 I N -0.743 119.815 120.570 -0.020 0.000 2.252 53 I HA -0.195 3.977 4.170 0.004 0.000 0.245 53 I C 2.732 178.850 176.117 0.001 0.000 1.102 53 I CA 1.396 62.695 61.300 -0.002 0.000 1.385 53 I CB -0.448 37.542 38.000 -0.017 0.000 1.064 53 I HN 0.194 nan 8.210 nan 0.000 0.414 54 R N 0.947 121.442 120.500 -0.008 0.000 2.096 54 R HA -0.164 4.179 4.340 0.004 0.000 0.235 54 R C 1.789 178.092 176.300 0.004 0.000 1.127 54 R CA 1.356 57.453 56.100 -0.005 0.000 0.968 54 R CB -0.290 30.005 30.300 -0.009 0.000 0.861 54 R HN 0.482 nan 8.270 nan 0.000 0.440 55 E N 0.063 120.270 120.200 0.012 0.000 2.511 55 E HA 0.070 4.423 4.350 0.004 0.000 0.196 55 E C 0.448 177.065 176.600 0.029 0.000 1.066 55 E CA 0.372 56.784 56.400 0.021 0.000 0.871 55 E CB 0.309 30.026 29.700 0.028 0.000 0.863 55 E HN 0.335 nan 8.360 nan 0.000 0.520 56 A N 1.974 124.812 122.820 0.030 0.000 2.822 56 A HA -0.228 4.094 4.320 0.004 0.000 0.287 56 A C 0.128 177.749 177.584 0.061 0.000 1.479 56 A CA 0.560 52.617 52.037 0.035 0.000 0.779 56 A CB -1.367 17.644 19.000 0.017 0.000 1.022 56 A HN 0.146 nan 8.150 nan 0.000 0.532 57 R N 0.095 120.648 120.500 0.087 0.000 2.679 57 R HA 0.086 4.429 4.340 0.004 0.000 0.268 57 R C 0.526 176.940 176.300 0.191 0.000 1.044 57 R CA 0.017 56.196 56.100 0.132 0.000 1.105 57 R CB 0.046 30.434 30.300 0.147 0.000 0.989 57 R HN 0.721 nan 8.270 nan 0.000 0.447 58 H N 1.744 120.858 119.070 0.075 0.000 3.157 58 H HA 0.228 4.786 4.556 0.004 0.000 0.260 58 H C -0.910 174.497 175.328 0.132 0.000 1.232 58 H CA -0.411 55.675 56.048 0.063 0.000 1.488 58 H CB 0.204 29.978 29.762 0.019 0.000 1.548 58 H HN 0.044 nan 8.280 nan 0.000 0.487 59 V N 6.350 126.471 119.914 0.346 0.000 2.638 59 V HA 0.003 4.126 4.120 0.004 0.000 0.306 59 V C -0.725 175.606 176.094 0.396 0.000 1.052 59 V CA -0.995 61.544 62.300 0.400 0.000 0.885 59 V CB 1.322 33.366 31.823 0.369 0.000 0.999 59 V HN 0.653 nan 8.190 nan 0.000 0.424 60 Y N 3.805 124.371 120.300 0.443 0.000 2.805 60 Y HA 0.356 4.908 4.550 0.004 0.000 0.331 60 Y C 1.368 177.371 175.900 0.171 0.000 1.241 60 Y CA 1.849 60.096 58.100 0.245 0.000 1.546 60 Y CB 0.543 39.194 38.460 0.318 0.000 1.248 60 Y HN 1.053 nan 8.280 nan 0.000 0.559 61 G N 4.070 112.579 108.800 -0.485 0.000 2.234 61 G HA2 -0.301 3.661 3.960 0.004 0.000 0.260 61 G HA3 -0.301 3.661 3.960 0.004 0.000 0.260 61 G C 0.606 175.480 174.900 -0.043 0.000 0.987 61 G CA 0.596 45.535 45.100 -0.268 0.000 0.625 61 G HN 0.673 nan 8.290 nan 0.000 0.532 62 L N -0.220 121.010 121.223 0.012 0.000 2.547 62 L HA 0.286 4.629 4.340 0.004 0.000 0.218 62 L C 2.242 179.119 176.870 0.013 0.000 1.048 62 L CA 1.558 56.431 54.840 0.055 0.000 0.859 62 L CB 0.430 42.567 42.059 0.130 0.000 1.128 62 L HN 0.431 nan 8.230 nan 0.000 0.483 63 T N -4.265 110.296 114.554 0.012 0.000 3.262 63 T HA 0.171 4.524 4.350 0.004 0.000 0.300 63 T C 0.329 174.996 174.700 -0.054 0.000 0.959 63 T CA 0.121 62.216 62.100 -0.008 0.000 0.936 63 T CB 0.082 68.975 68.868 0.040 0.000 1.169 63 T HN 0.184 nan 8.240 nan 0.000 0.532 64 T N -1.567 112.908 114.554 -0.132 0.000 2.883 64 T HA 0.774 5.127 4.350 0.004 0.000 0.296 64 T C 0.583 175.004 174.700 -0.465 0.000 1.117 64 T CA -0.287 61.703 62.100 -0.184 0.000 1.006 64 T CB 1.505 70.360 68.868 -0.023 0.000 1.191 64 T HN 0.278 nan 8.240 nan 0.000 0.508 65 G N -0.003 108.567 108.800 -0.382 0.000 2.553 65 G HA2 0.543 4.506 3.960 0.004 0.000 0.278 65 G HA3 0.543 4.506 3.960 0.004 0.000 0.278 65 G C -0.996 173.466 174.900 -0.729 0.000 1.349 65 G CA -0.782 44.005 45.100 -0.521 0.000 1.037 65 G HN 0.561 nan 8.290 nan 0.000 0.508 66 F N -0.647 119.265 119.950 -0.065 0.000 2.432 66 F HA 0.587 5.116 4.527 0.004 0.000 0.329 66 F C 1.235 177.148 175.800 0.188 0.000 1.076 66 F CA 0.429 58.453 58.000 0.041 0.000 1.018 66 F CB 1.310 40.394 39.000 0.139 0.000 1.201 66 F HN 1.008 nan 8.300 nan 0.000 0.489 67 G N 2.082 111.226 108.800 0.574 0.000 2.634 67 G HA2 -0.298 3.665 3.960 0.004 0.000 0.309 67 G HA3 -0.298 3.665 3.960 0.004 0.000 0.309 67 G C -1.815 173.211 174.900 0.210 0.000 1.265 67 G CA 0.008 45.294 45.100 0.310 0.000 0.998 67 G HN 0.521 nan 8.290 nan 0.000 0.551 68 P HA 0.118 nan 4.420 nan 0.000 0.226 68 P C 1.688 179.024 177.300 0.061 0.000 1.153 68 P CA 0.819 63.965 63.100 0.078 0.000 0.777 68 P CB -0.069 31.660 31.700 0.049 0.000 0.794 69 L N -1.445 119.812 121.223 0.056 0.000 2.627 69 L HA 0.172 4.514 4.340 0.004 0.000 0.232 69 L C 1.929 178.800 176.870 0.002 0.000 1.150 69 L CA 0.028 54.874 54.840 0.011 0.000 0.917 69 L CB -0.654 41.390 42.059 -0.025 0.000 1.104 69 L HN -0.038 nan 8.230 nan 0.000 0.445 70 A N 1.084 123.945 122.820 0.068 0.000 2.168 70 A HA -0.137 4.186 4.320 0.004 0.000 0.215 70 A C 1.897 179.522 177.584 0.069 0.000 1.152 70 A CA 1.100 53.189 52.037 0.087 0.000 0.716 70 A CB -0.442 18.715 19.000 0.262 0.000 0.794 70 A HN 0.634 nan 8.150 nan 0.000 0.465 71 N N -0.607 118.119 118.700 0.043 0.000 2.461 71 N HA -0.003 4.740 4.740 0.004 0.000 0.188 71 N C -0.042 175.460 175.510 -0.013 0.000 1.134 71 N CA 0.129 53.195 53.050 0.027 0.000 0.878 71 N CB -0.128 38.373 38.487 0.023 0.000 0.972 71 N HN 0.154 nan 8.380 nan 0.000 0.456 72 R N 0.980 121.462 120.500 -0.030 0.000 2.215 72 R HA 0.409 4.751 4.340 0.004 0.000 0.337 72 R C -0.193 176.059 176.300 -0.079 0.000 1.010 72 R CA -0.316 55.752 56.100 -0.054 0.000 0.871 72 R CB 0.791 31.056 30.300 -0.058 0.000 1.134 72 R HN 0.136 nan 8.270 nan 0.000 0.477 73 L N 3.739 124.910 121.223 -0.087 0.000 2.436 73 L HA 0.387 4.729 4.340 0.004 0.000 0.265 73 L C 0.119 176.934 176.870 -0.091 0.000 1.168 73 L CA -0.436 54.339 54.840 -0.108 0.000 0.815 73 L CB 0.580 42.554 42.059 -0.141 0.000 1.109 73 L HN 0.344 nan 8.230 nan 0.000 0.462 74 I N 1.225 121.741 120.570 -0.090 0.000 2.433 74 I HA 0.194 4.366 4.170 0.004 0.000 0.292 74 I C 0.299 176.385 176.117 -0.051 0.000 1.001 74 I CA -0.252 61.005 61.300 -0.072 0.000 1.119 74 I CB 1.671 39.618 38.000 -0.088 0.000 1.289 74 I HN 0.533 nan 8.210 nan 0.000 0.438 75 S N 3.346 119.022 115.700 -0.039 0.000 2.562 75 S HA 0.265 4.737 4.470 0.004 0.000 0.281 75 S C 1.533 176.120 174.600 -0.021 0.000 1.333 75 S CA 0.259 58.442 58.200 -0.029 0.000 1.052 75 S CB 1.088 64.274 63.200 -0.024 0.000 0.884 75 S HN 0.889 nan 8.310 nan 0.000 0.506 76 G N 2.948 111.738 108.800 -0.016 0.000 2.503 76 G HA2 -0.270 3.692 3.960 0.004 0.000 0.221 76 G HA3 -0.270 3.692 3.960 0.004 0.000 0.221 76 G C 1.154 176.047 174.900 -0.011 0.000 1.131 76 G CA 1.191 46.284 45.100 -0.011 0.000 0.756 76 G HN 0.956 nan 8.290 nan 0.000 0.572 77 E N 0.137 120.330 120.200 -0.012 0.000 2.333 77 E HA -0.081 4.272 4.350 0.004 0.000 0.198 77 E C 1.066 177.662 176.600 -0.007 0.000 1.007 77 E CA 0.905 57.299 56.400 -0.010 0.000 0.845 77 E CB -0.148 29.546 29.700 -0.010 0.000 0.766 77 E HN 0.365 nan 8.360 nan 0.000 0.507 78 N N 0.640 119.336 118.700 -0.007 0.000 2.204 78 N HA 0.071 4.814 4.740 0.004 0.000 0.219 78 N C 1.213 176.725 175.510 0.003 0.000 1.151 78 N CA 0.078 53.127 53.050 -0.002 0.000 0.867 78 N CB 1.250 39.734 38.487 -0.004 0.000 1.043 78 N HN 0.043 nan 8.380 nan 0.000 0.516 79 V N 0.984 120.899 119.914 0.002 0.000 2.427 79 V HA -0.163 3.960 4.120 0.004 0.000 0.248 79 V C 2.406 178.514 176.094 0.024 0.000 1.051 79 V CA 1.306 63.613 62.300 0.012 0.000 1.048 79 V CB -0.202 31.627 31.823 0.011 0.000 0.666 79 V HN 0.228 nan 8.190 nan 0.000 0.456 80 R N 0.338 120.845 120.500 0.012 0.000 2.083 80 R HA -0.125 4.218 4.340 0.004 0.000 0.237 80 R C 2.374 178.682 176.300 0.013 0.000 1.137 80 R CA 2.008 58.113 56.100 0.008 0.000 0.951 80 R CB -1.392 28.908 30.300 -0.001 0.000 0.851 80 R HN 0.523 nan 8.270 nan 0.000 0.434 81 T N 2.365 116.931 114.554 0.020 0.000 2.737 81 T HA -0.123 4.230 4.350 0.004 0.000 0.265 81 T C 1.925 176.659 174.700 0.057 0.000 1.038 81 T CA 1.115 63.233 62.100 0.031 0.000 1.144 81 T CB -0.338 68.551 68.868 0.034 0.000 0.866 81 T HN 0.098 nan 8.240 nan 0.000 0.434 82 L N 1.320 122.586 121.223 0.072 0.000 1.990 82 L HA -0.176 4.166 4.340 0.004 0.000 0.213 82 L C 2.445 179.449 176.870 0.223 0.000 1.072 82 L CA 1.860 56.784 54.840 0.141 0.000 0.755 82 L CB -0.629 41.475 42.059 0.075 0.000 0.889 82 L HN 0.257 nan 8.230 nan 0.000 0.432 83 Q N -0.907 118.979 119.800 0.143 0.000 2.230 83 Q HA -0.081 4.261 4.340 0.004 0.000 0.202 83 Q C 2.189 178.163 176.000 -0.043 0.000 0.963 83 Q CA 1.119 56.979 55.803 0.096 0.000 0.866 83 Q CB -0.252 28.527 28.738 0.069 0.000 0.931 83 Q HN 0.720 nan 8.270 nan 0.000 0.452 84 A N 1.608 124.386 122.820 -0.068 0.000 1.897 84 A HA -0.153 4.169 4.320 0.004 0.000 0.215 84 A C 1.733 179.104 177.584 -0.355 0.000 1.181 84 A CA 1.187 53.090 52.037 -0.224 0.000 0.620 84 A CB -0.247 18.655 19.000 -0.164 0.000 0.821 84 A HN 0.250 nan 8.150 nan 0.000 0.443 85 N N -0.142 118.511 118.700 -0.078 0.000 2.331 85 N HA -0.097 4.646 4.740 0.004 0.000 0.180 85 N C 1.535 177.123 175.510 0.130 0.000 1.019 85 N CA 1.168 54.279 53.050 0.102 0.000 0.881 85 N CB -0.485 38.145 38.487 0.238 0.000 0.972 85 N HN 0.450 nan 8.380 nan 0.000 0.435 86 L N 0.848 122.058 121.223 -0.021 0.000 1.994 86 L HA -0.087 4.256 4.340 0.004 0.000 0.208 86 L C 1.895 178.334 176.870 -0.717 0.000 1.071 86 L CA 1.439 56.011 54.840 -0.446 0.000 0.745 86 L CB -0.672 41.022 42.059 -0.610 0.000 0.892 86 L HN -0.110 nan 8.230 nan 0.000 0.431 87 V N -0.419 119.224 119.914 -0.452 0.000 2.490 87 V HA -0.323 3.800 4.120 0.004 0.000 0.250 87 V C 2.353 178.262 176.094 -0.309 0.000 1.061 87 V CA 2.140 64.201 62.300 -0.399 0.000 1.064 87 V CB -1.008 30.628 31.823 -0.312 0.000 0.670 87 V HN 0.625 nan 8.190 nan 0.000 0.461 88 H N -0.346 118.579 119.070 -0.242 0.000 2.276 88 H HA -0.149 4.410 4.556 0.004 0.000 0.301 88 H C 2.230 177.478 175.328 -0.133 0.000 1.073 88 H CA 1.875 57.835 56.048 -0.146 0.000 1.311 88 H CB -0.233 29.514 29.762 -0.024 0.000 1.379 88 H HN 0.599 nan 8.280 nan 0.000 0.494 89 F N 0.634 120.613 119.950 0.048 0.000 2.365 89 F HA -0.022 4.508 4.527 0.004 0.000 0.300 89 F C 1.603 177.376 175.800 -0.046 0.000 1.090 89 F CA 0.759 58.757 58.000 -0.003 0.000 1.408 89 F CB -0.708 38.295 39.000 0.006 0.000 1.060 89 F HN 0.002 nan 8.300 nan 0.000 0.534 90 L N 0.662 121.452 121.223 -0.722 0.000 2.418 90 L HA 0.204 4.546 4.340 0.004 0.000 0.218 90 L C 1.885 178.589 176.870 -0.277 0.000 1.125 90 L CA 0.413 54.948 54.840 -0.508 0.000 0.835 90 L CB -0.670 40.990 42.059 -0.665 0.000 0.953 90 L HN 0.277 nan 8.230 nan 0.000 0.454 91 A N 0.103 122.727 122.820 -0.327 0.000 3.029 91 A HA 0.155 4.477 4.320 0.004 0.000 0.251 91 A C 1.226 178.763 177.584 -0.079 0.000 1.749 91 A CA 0.267 51.995 52.037 -0.515 0.000 1.386 91 A CB -0.643 17.971 19.000 -0.643 0.000 1.043 91 A HN 0.358 nan 8.150 nan 0.000 0.638 92 S N -0.572 115.187 115.700 0.097 0.000 2.602 92 S HA 0.376 4.848 4.470 0.004 0.000 0.240 92 S C 0.875 175.575 174.600 0.167 0.000 0.992 92 S CA 0.078 58.358 58.200 0.133 0.000 0.971 92 S CB 0.060 63.310 63.200 0.084 0.000 0.855 92 S HN 0.752 nan 8.310 nan 0.000 0.481 93 G N 1.505 110.495 108.800 0.317 0.000 2.544 93 G HA2 0.503 4.466 3.960 0.004 0.000 0.242 93 G HA3 0.503 4.466 3.960 0.004 0.000 0.242 93 G C -0.116 174.750 174.900 -0.057 0.000 1.247 93 G CA 0.111 45.238 45.100 0.045 0.000 0.840 93 G HN 1.032 nan 8.290 nan 0.000 0.578 94 V N -1.053 118.822 119.914 -0.064 0.000 3.165 94 V HA 1.031 5.153 4.120 0.004 0.000 0.309 94 V C 0.608 176.665 176.094 -0.061 0.000 1.267 94 V CA -0.056 62.210 62.300 -0.057 0.000 1.067 94 V CB 1.076 32.888 31.823 -0.019 0.000 1.082 94 V HN 2.569 nan 8.190 nan 0.000 0.451 95 G N 0.412 109.185 108.800 -0.045 0.000 2.712 95 G HA2 0.045 4.008 3.960 0.004 0.000 0.683 95 G HA3 0.045 4.008 3.960 0.004 0.000 0.683 95 G C -2.683 172.191 174.900 -0.042 0.000 1.320 95 G CA -0.291 44.788 45.100 -0.035 0.000 0.847 95 G HN 1.153 nan 8.290 nan 0.000 0.553 96 P HA 0.400 nan 4.420 nan 0.000 0.268 96 P C 0.830 178.112 177.300 -0.031 0.000 1.205 96 P CA 0.468 63.556 63.100 -0.021 0.000 0.771 96 P CB 0.831 32.528 31.700 -0.004 0.000 0.858 97 V N 1.686 121.582 119.914 -0.029 0.000 2.924 97 V HA 0.149 4.271 4.120 0.004 0.000 0.305 97 V C 0.658 176.746 176.094 -0.010 0.000 1.073 97 V CA -0.647 61.631 62.300 -0.036 0.000 1.098 97 V CB -0.495 31.311 31.823 -0.028 0.000 1.000 97 V HN 0.300 nan 8.190 nan 0.000 0.484 98 L N 2.946 124.159 121.223 -0.016 0.000 2.483 98 L HA 0.242 4.584 4.340 0.004 0.000 0.276 98 L C 0.717 177.607 176.870 0.034 0.000 1.213 98 L CA -0.178 54.664 54.840 0.004 0.000 0.843 98 L CB 0.076 42.128 42.059 -0.013 0.000 1.107 98 L HN 1.029 nan 8.230 nan 0.000 0.487 99 D N 0.203 120.639 120.400 0.060 0.000 2.362 99 D HA -0.127 4.516 4.640 0.004 0.000 0.238 99 D C 0.736 177.127 176.300 0.151 0.000 1.212 99 D CA -0.403 53.665 54.000 0.113 0.000 0.902 99 D CB 0.522 41.395 40.800 0.121 0.000 1.180 99 D HN 0.541 nan 8.370 nan 0.000 0.445 100 W N 1.075 122.380 121.300 0.009 0.000 2.290 100 W HA -0.300 4.363 4.660 0.004 0.000 0.328 100 W C 2.289 178.805 176.519 -0.006 0.000 1.272 100 W CA 2.827 60.176 57.345 0.008 0.000 1.262 100 W CB -0.920 28.546 29.460 0.010 0.000 1.151 100 W HN 0.457 nan 8.180 nan 0.000 0.473 101 T N -0.277 114.399 114.554 0.203 0.000 2.720 101 T HA -0.225 4.127 4.350 0.004 0.000 0.268 101 T C 1.567 176.190 174.700 -0.130 0.000 1.037 101 T CA 2.319 64.390 62.100 -0.048 0.000 1.144 101 T CB -0.925 68.011 68.868 0.115 0.000 0.864 101 T HN 0.203 nan 8.240 nan 0.000 0.444 102 T N 1.890 116.427 114.554 -0.028 0.000 2.777 102 T HA 0.033 4.386 4.350 0.004 0.000 0.266 102 T C 2.442 177.097 174.700 -0.075 0.000 1.040 102 T CA 1.092 63.175 62.100 -0.029 0.000 1.141 102 T CB -0.535 68.345 68.868 0.020 0.000 0.868 102 T HN 0.436 nan 8.240 nan 0.000 0.444 103 A N 1.709 124.473 122.820 -0.093 0.000 1.933 103 A HA -0.108 4.214 4.320 0.004 0.000 0.218 103 A C 2.365 179.850 177.584 -0.165 0.000 1.175 103 A CA 1.409 53.379 52.037 -0.110 0.000 0.628 103 A CB -0.456 18.484 19.000 -0.100 0.000 0.814 103 A HN 0.402 nan 8.150 nan 0.000 0.444 104 R N -0.612 119.723 120.500 -0.274 0.000 2.115 104 R HA 0.007 4.350 4.340 0.004 0.000 0.230 104 R C 2.398 178.568 176.300 -0.218 0.000 1.111 104 R CA 1.041 56.952 56.100 -0.315 0.000 0.976 104 R CB -0.392 29.571 30.300 -0.562 0.000 0.870 104 R HN 0.502 nan 8.270 nan 0.000 0.445 105 A N 1.053 123.762 122.820 -0.184 0.000 1.969 105 A HA -0.171 4.152 4.320 0.004 0.000 0.218 105 A C 2.093 179.624 177.584 -0.088 0.000 1.169 105 A CA 1.221 53.184 52.037 -0.124 0.000 0.635 105 A CB -0.422 18.529 19.000 -0.082 0.000 0.810 105 A HN 0.329 nan 8.150 nan 0.000 0.445 106 M N -0.295 119.255 119.600 -0.082 0.000 2.132 106 M HA -0.101 4.382 4.480 0.004 0.000 0.263 106 M C 1.818 178.079 176.300 -0.064 0.000 1.065 106 M CA 1.856 57.120 55.300 -0.060 0.000 1.122 106 M CB -0.195 32.373 32.600 -0.054 0.000 1.365 106 M HN 0.182 nan 8.290 nan 0.000 0.411 107 V N 1.139 121.004 119.914 -0.081 0.000 2.343 107 V HA -0.271 3.851 4.120 0.004 0.000 0.247 107 V C 2.424 178.477 176.094 -0.068 0.000 1.051 107 V CA 1.685 63.942 62.300 -0.072 0.000 1.036 107 V CB -0.990 30.783 31.823 -0.083 0.000 0.654 107 V HN 0.583 nan 8.190 nan 0.000 0.451 108 L N 0.982 122.155 121.223 -0.084 0.000 2.046 108 L HA -0.084 4.259 4.340 0.004 0.000 0.208 108 L C 2.448 179.281 176.870 -0.062 0.000 1.077 108 L CA 2.345 57.140 54.840 -0.076 0.000 0.747 108 L CB -0.971 41.033 42.059 -0.092 0.000 0.896 108 L HN 0.214 nan 8.230 nan 0.000 0.432 109 A N -0.389 122.397 122.820 -0.058 0.000 1.908 109 A HA -0.267 4.055 4.320 0.004 0.000 0.218 109 A C 2.470 180.031 177.584 -0.039 0.000 1.181 109 A CA 1.880 53.888 52.037 -0.048 0.000 0.627 109 A CB -0.624 18.351 19.000 -0.041 0.000 0.818 109 A HN 0.484 nan 8.150 nan 0.000 0.445 110 R N -0.653 119.826 120.500 -0.036 0.000 2.081 110 R HA -0.087 4.255 4.340 0.004 0.000 0.235 110 R C 1.955 178.240 176.300 -0.024 0.000 1.131 110 R CA 1.573 57.658 56.100 -0.025 0.000 0.960 110 R CB -0.680 29.605 30.300 -0.025 0.000 0.856 110 R HN 0.446 nan 8.270 nan 0.000 0.436 111 L N -0.083 121.120 121.223 -0.032 0.000 2.012 111 L HA -0.124 4.218 4.340 0.004 0.000 0.210 111 L C 1.965 178.818 176.870 -0.029 0.000 1.073 111 L CA 1.707 56.529 54.840 -0.030 0.000 0.748 111 L CB -0.650 41.387 42.059 -0.037 0.000 0.891 111 L HN 0.079 nan 8.230 nan 0.000 0.431 112 V N -0.850 119.041 119.914 -0.037 0.000 2.287 112 V HA -0.319 3.804 4.120 0.004 0.000 0.248 112 V C 2.792 178.870 176.094 -0.028 0.000 1.053 112 V CA 1.948 64.224 62.300 -0.039 0.000 1.027 112 V CB -1.044 30.745 31.823 -0.057 0.000 0.646 112 V HN 0.669 nan 8.190 nan 0.000 0.447 113 S N -0.410 115.276 115.700 -0.025 0.000 2.359 113 S HA -0.184 4.288 4.470 0.004 0.000 0.224 113 S C 1.918 176.516 174.600 -0.004 0.000 1.035 113 S CA 1.945 60.136 58.200 -0.015 0.000 1.018 113 S CB -0.392 62.800 63.200 -0.012 0.000 0.876 113 S HN 0.517 nan 8.310 nan 0.000 0.448 114 I N 1.674 122.243 120.570 -0.001 0.000 2.226 114 I HA -0.175 3.998 4.170 0.004 0.000 0.245 114 I C 2.728 178.849 176.117 0.006 0.000 1.100 114 I CA 1.108 62.414 61.300 0.009 0.000 1.374 114 I CB -0.545 37.458 38.000 0.004 0.000 1.057 114 I HN 0.383 nan 8.210 nan 0.000 0.413 115 A N 0.101 122.919 122.820 -0.004 0.000 2.131 115 A HA -0.221 4.102 4.320 0.004 0.000 0.220 115 A C 2.109 179.694 177.584 0.002 0.000 1.158 115 A CA 1.288 53.322 52.037 -0.004 0.000 0.665 115 A CB -0.371 18.622 19.000 -0.011 0.000 0.795 115 A HN 0.425 nan 8.150 nan 0.000 0.460 116 Q N -1.211 118.592 119.800 0.005 0.000 2.369 116 Q HA 0.071 4.413 4.340 0.004 0.000 0.206 116 Q C 1.245 177.255 176.000 0.017 0.000 0.963 116 Q CA 0.832 56.641 55.803 0.009 0.000 0.894 116 Q CB -0.618 28.123 28.738 0.005 0.000 0.965 116 Q HN 1.093 nan 8.270 nan 0.000 0.475 117 G N 0.445 109.258 108.800 0.023 0.000 2.248 117 G HA2 -0.159 3.804 3.960 0.004 0.000 0.263 117 G HA3 -0.159 3.804 3.960 0.004 0.000 0.263 117 G C 0.385 175.320 174.900 0.058 0.000 1.082 117 G CA 0.392 45.512 45.100 0.033 0.000 0.863 117 G HN 0.528 nan 8.290 nan 0.000 0.495 118 A N -1.051 121.814 122.820 0.075 0.000 2.661 118 A HA 0.725 5.047 4.320 0.004 0.000 0.278 118 A C 1.536 179.231 177.584 0.185 0.000 1.090 118 A CA 1.328 53.434 52.037 0.115 0.000 0.969 118 A CB 0.273 19.302 19.000 0.048 0.000 1.240 118 A HN 0.808 nan 8.150 nan 0.000 0.578 119 S N -1.138 114.672 115.700 0.184 0.000 2.505 119 S HA 0.371 4.844 4.470 0.004 0.000 0.216 119 S C 1.539 176.323 174.600 0.306 0.000 1.018 119 S CA 0.718 59.055 58.200 0.228 0.000 0.911 119 S CB 0.473 63.740 63.200 0.112 0.000 0.818 119 S HN 1.701 nan 8.310 nan 0.000 0.497 120 G N 1.954 110.862 108.800 0.180 0.000 2.162 120 G HA2 -0.241 3.721 3.960 0.004 0.000 0.260 120 G HA3 -0.241 3.721 3.960 0.004 0.000 0.260 120 G C 0.250 175.149 174.900 -0.001 0.000 0.976 120 G CA 0.050 45.157 45.100 0.012 0.000 0.655 120 G HN 0.902 nan 8.290 nan 0.000 0.533 121 A N 0.379 123.214 122.820 0.026 0.000 2.540 121 A HA 0.585 4.907 4.320 0.004 0.000 0.239 121 A C 1.157 178.704 177.584 -0.062 0.000 1.061 121 A CA 1.084 53.116 52.037 -0.009 0.000 0.758 121 A CB 0.178 19.178 19.000 -0.001 0.000 0.991 121 A HN 2.041 nan 8.150 nan 0.000 0.502 122 S N 1.635 117.262 115.700 -0.121 0.000 2.632 122 S HA 0.217 4.690 4.470 0.004 0.000 0.267 122 S C 0.745 175.242 174.600 -0.172 0.000 1.276 122 S CA 0.047 58.106 58.200 -0.233 0.000 0.998 122 S CB 0.789 63.654 63.200 -0.557 0.000 0.953 122 S HN 0.719 nan 8.310 nan 0.000 0.547 123 E N 1.481 121.579 120.200 -0.169 0.000 2.085 123 E HA -0.130 4.223 4.350 0.004 0.000 0.194 123 E C 2.155 178.698 176.600 -0.094 0.000 0.994 123 E CA 1.273 57.611 56.400 -0.104 0.000 0.801 123 E CB -0.814 28.837 29.700 -0.082 0.000 0.743 123 E HN 0.903 nan 8.360 nan 0.000 0.453 124 G N 0.555 109.280 108.800 -0.125 0.000 2.440 124 G HA2 -0.287 3.675 3.960 0.004 0.000 0.218 124 G HA3 -0.287 3.675 3.960 0.004 0.000 0.218 124 G C 1.645 176.511 174.900 -0.057 0.000 1.154 124 G CA 1.372 46.426 45.100 -0.077 0.000 0.767 124 G HN 0.194 nan 8.290 nan 0.000 0.552 125 T N 1.315 115.824 114.554 -0.075 0.000 2.708 125 T HA -0.069 4.283 4.350 0.004 0.000 0.266 125 T C 2.402 177.082 174.700 -0.034 0.000 1.037 125 T CA 1.125 63.199 62.100 -0.044 0.000 1.146 125 T CB -0.189 68.652 68.868 -0.045 0.000 0.865 125 T HN 0.256 nan 8.240 nan 0.000 0.435 126 I N 1.307 121.852 120.570 -0.042 0.000 2.226 126 I HA -0.188 3.985 4.170 0.004 0.000 0.245 126 I C 2.919 179.020 176.117 -0.027 0.000 1.100 126 I CA 1.132 62.412 61.300 -0.032 0.000 1.374 126 I CB -0.515 37.464 38.000 -0.034 0.000 1.057 126 I HN 0.189 nan 8.210 nan 0.000 0.413 127 A N 0.807 123.609 122.820 -0.030 0.000 1.940 127 A HA -0.190 4.132 4.320 0.004 0.000 0.219 127 A C 2.342 179.917 177.584 -0.016 0.000 1.176 127 A CA 1.357 53.381 52.037 -0.023 0.000 0.631 127 A CB -0.418 18.568 19.000 -0.024 0.000 0.814 127 A HN 0.265 nan 8.150 nan 0.000 0.446 128 R N -0.256 120.237 120.500 -0.012 0.000 2.092 128 R HA -0.015 4.327 4.340 0.004 0.000 0.231 128 R C 2.037 178.338 176.300 0.003 0.000 1.119 128 R CA 1.176 57.277 56.100 0.002 0.000 0.970 128 R CB -0.989 29.317 30.300 0.010 0.000 0.864 128 R HN 0.604 nan 8.270 nan 0.000 0.440 129 L N 0.176 121.394 121.223 -0.008 0.000 2.056 129 L HA -0.091 4.251 4.340 0.004 0.000 0.207 129 L C 2.493 179.350 176.870 -0.022 0.000 1.078 129 L CA 1.108 55.940 54.840 -0.014 0.000 0.749 129 L CB -0.479 41.566 42.059 -0.022 0.000 0.901 129 L HN 0.057 nan 8.230 nan 0.000 0.433 130 I N 0.001 120.557 120.570 -0.023 0.000 2.226 130 I HA -0.295 3.878 4.170 0.004 0.000 0.245 130 I C 2.127 178.231 176.117 -0.022 0.000 1.100 130 I CA 1.203 62.487 61.300 -0.025 0.000 1.374 130 I CB -0.398 37.588 38.000 -0.022 0.000 1.057 130 I HN 0.278 nan 8.210 nan 0.000 0.413 131 D N 0.709 121.099 120.400 -0.016 0.000 2.117 131 D HA -0.171 4.471 4.640 0.004 0.000 0.197 131 D C 2.144 178.435 176.300 -0.016 0.000 0.987 131 D CA 0.936 54.927 54.000 -0.015 0.000 0.829 131 D CB -0.332 40.460 40.800 -0.014 0.000 0.961 131 D HN 0.160 nan 8.370 nan 0.000 0.460 132 L N 0.870 122.088 121.223 -0.007 0.000 1.989 132 L HA -0.147 4.195 4.340 0.004 0.000 0.211 132 L C 2.173 179.022 176.870 -0.035 0.000 1.071 132 L CA 1.413 56.254 54.840 0.001 0.000 0.749 132 L CB -0.917 41.161 42.059 0.032 0.000 0.890 132 L HN 0.092 nan 8.230 nan 0.000 0.431 133 L N 0.103 121.294 121.223 -0.053 0.000 2.191 133 L HA -0.212 4.131 4.340 0.004 0.000 0.212 133 L C 1.997 178.835 176.870 -0.053 0.000 1.103 133 L CA 0.897 55.687 54.840 -0.083 0.000 0.769 133 L CB -0.541 41.470 42.059 -0.080 0.000 0.908 133 L HN 0.389 nan 8.230 nan 0.000 0.438 134 N N -0.649 118.034 118.700 -0.027 0.000 2.422 134 N HA -0.012 4.731 4.740 0.004 0.000 0.181 134 N C 0.977 176.495 175.510 0.012 0.000 1.080 134 N CA 0.435 53.481 53.050 -0.007 0.000 0.893 134 N CB 0.202 38.684 38.487 -0.009 0.000 0.973 134 N HN 0.331 nan 8.380 nan 0.000 0.456 135 S N 0.162 115.869 115.700 0.011 0.000 2.671 135 S HA 0.253 4.725 4.470 0.004 0.000 0.272 135 S C 0.784 175.449 174.600 0.109 0.000 1.174 135 S CA -0.397 57.822 58.200 0.032 0.000 1.004 135 S CB 1.306 64.504 63.200 -0.003 0.000 1.077 135 S HN -0.052 nan 8.310 nan 0.000 0.553 136 E N 0.001 120.291 120.200 0.149 0.000 2.444 136 E HA 0.337 4.689 4.350 0.004 0.000 0.191 136 E C -0.147 176.744 176.600 0.484 0.000 1.041 136 E CA -0.015 56.568 56.400 0.306 0.000 0.883 136 E CB -0.133 29.655 29.700 0.146 0.000 1.024 136 E HN 0.502 nan 8.360 nan 0.000 0.470 137 L N -0.078 121.332 121.223 0.311 0.000 2.331 137 L HA 0.742 5.085 4.340 0.004 0.000 0.268 137 L C -0.017 176.964 176.870 0.185 0.000 1.015 137 L CA -1.038 54.008 54.840 0.342 0.000 0.807 137 L CB 1.528 43.652 42.059 0.108 0.000 1.293 137 L HN -0.166 nan 8.230 nan 0.000 0.451 138 A N 0.977 123.936 122.820 0.233 0.000 2.549 138 A HA 0.791 5.113 4.320 0.004 0.000 0.297 138 A C -2.825 174.857 177.584 0.163 0.000 1.061 138 A CA -1.331 50.704 52.037 -0.003 0.000 0.690 138 A CB 1.886 20.678 19.000 -0.346 0.000 1.287 138 A HN 0.363 nan 8.150 nan 0.000 0.402 139 P HA 0.397 nan 4.420 nan 0.000 0.275 139 P C -0.336 176.886 177.300 -0.131 0.000 1.228 139 P CA 0.058 63.031 63.100 -0.212 0.000 0.786 139 P CB 1.351 32.912 31.700 -0.231 0.000 0.927 140 A N 3.424 126.143 122.820 -0.168 0.000 2.316 140 A HA 0.477 4.800 4.320 0.004 0.000 0.311 140 A C -0.228 177.290 177.584 -0.110 0.000 1.339 140 A CA -0.408 51.579 52.037 -0.084 0.000 0.960 140 A CB -0.271 18.697 19.000 -0.053 0.000 1.152 140 A HN 0.358 nan 8.150 nan 0.000 0.547 141 V N 5.711 125.565 119.914 -0.100 0.000 2.540 141 V HA 0.423 4.545 4.120 0.004 0.000 0.302 141 V C -2.217 173.775 176.094 -0.170 0.000 1.035 141 V CA -1.789 60.429 62.300 -0.137 0.000 0.873 141 V CB 2.111 33.883 31.823 -0.084 0.000 0.992 141 V HN 0.819 nan 8.190 nan 0.000 0.428 142 P HA 0.057 nan 4.420 nan 0.000 0.266 142 P C 0.696 177.909 177.300 -0.145 0.000 1.195 142 P CA 0.153 63.113 63.100 -0.234 0.000 0.768 142 P CB 0.963 32.449 31.700 -0.358 0.000 0.838 143 S N 2.711 118.361 115.700 -0.084 0.000 2.470 143 S HA 0.022 4.495 4.470 0.004 0.000 0.225 143 S C 0.847 175.427 174.600 -0.032 0.000 1.006 143 S CA 0.098 58.270 58.200 -0.045 0.000 0.934 143 S CB -0.091 63.096 63.200 -0.022 0.000 0.778 143 S HN 0.416 nan 8.310 nan 0.000 0.517 144 R N -0.182 120.295 120.500 -0.039 0.000 2.668 144 R HA 0.639 4.981 4.340 0.004 0.000 0.279 144 R C 0.803 177.095 176.300 -0.014 0.000 0.976 144 R CA -0.025 56.064 56.100 -0.019 0.000 0.978 144 R CB 1.543 31.835 30.300 -0.013 0.000 1.133 144 R HN 0.321 nan 8.270 nan 0.000 0.484 145 G N 0.207 109.011 108.800 0.005 0.000 3.006 145 G HA2 -0.211 3.751 3.960 0.004 0.000 0.195 145 G HA3 -0.211 3.751 3.960 0.004 0.000 0.195 145 G C 0.099 175.013 174.900 0.024 0.000 1.034 145 G CA -0.122 44.990 45.100 0.020 0.000 0.807 145 G HN 0.596 nan 8.290 nan 0.000 0.469 146 T N 0.974 115.539 114.554 0.018 0.000 2.909 146 T HA 0.510 4.863 4.350 0.004 0.000 0.286 146 T C 1.541 176.256 174.700 0.025 0.000 1.002 146 T CA 0.519 62.629 62.100 0.018 0.000 1.074 146 T CB 1.588 70.462 68.868 0.010 0.000 0.984 146 T HN 1.135 nan 8.240 nan 0.000 0.495 147 V N 1.304 121.235 119.914 0.028 0.000 3.542 147 V HA 0.577 4.700 4.120 0.004 0.000 0.296 147 V C 1.185 177.307 176.094 0.046 0.000 1.364 147 V CA 0.201 62.524 62.300 0.039 0.000 1.118 147 V CB -1.385 30.463 31.823 0.042 0.000 0.972 147 V HN 1.350 nan 8.190 nan 0.000 0.430 153 L N -0.301 120.885 121.223 -0.062 0.000 2.046 153 L HA -0.133 4.210 4.340 0.004 0.000 0.208 153 L C 2.364 179.174 176.870 -0.101 0.000 1.077 153 L CA 1.421 56.200 54.840 -0.102 0.000 0.747 153 L CB -0.623 41.351 42.059 -0.143 0.000 0.896 153 L HN 0.096 nan 8.230 nan 0.000 0.432 154 T N 0.560 115.080 114.554 -0.056 0.000 2.622 154 T HA -0.097 4.255 4.350 0.004 0.000 0.266 154 T C -0.429 174.325 174.700 0.090 0.000 1.047 154 T CA 1.791 63.889 62.100 -0.002 0.000 1.159 154 T CB -1.215 67.679 68.868 0.044 0.000 0.863 154 T HN 0.312 nan 8.240 nan 0.000 0.422 155 P HA 0.011 nan 4.420 nan 0.000 0.218 155 P C 1.551 178.870 177.300 0.032 0.000 1.149 155 P CA 0.981 64.114 63.100 0.056 0.000 0.817 155 P CB -0.218 31.482 31.700 0.000 0.000 0.785 156 L N -0.733 120.480 121.223 -0.016 0.000 2.156 156 L HA -0.051 4.291 4.340 0.004 0.000 0.208 156 L C 2.782 179.606 176.870 -0.077 0.000 1.095 156 L CA 1.226 56.038 54.840 -0.045 0.000 0.770 156 L CB -0.987 41.039 42.059 -0.056 0.000 0.914 156 L HN -0.059 nan 8.230 nan 0.000 0.439 157 A N -0.871 121.878 122.820 -0.119 0.000 1.898 157 A HA -0.218 4.105 4.320 0.004 0.000 0.216 157 A C 2.128 179.593 177.584 -0.199 0.000 1.181 157 A CA 1.242 53.154 52.037 -0.208 0.000 0.620 157 A CB -0.726 18.083 19.000 -0.318 0.000 0.819 157 A HN 0.392 nan 8.150 nan 0.000 0.442 158 H N -1.047 117.956 119.070 -0.112 0.000 2.387 158 H HA -0.126 4.432 4.556 0.004 0.000 0.299 158 H C 2.110 177.364 175.328 -0.124 0.000 1.090 158 H CA 1.837 57.822 56.048 -0.104 0.000 1.332 158 H CB -0.284 29.423 29.762 -0.093 0.000 1.386 158 H HN 0.616 nan 8.280 nan 0.000 0.516 159 M N 0.611 120.207 119.600 -0.007 0.000 2.117 159 M HA -0.153 4.330 4.480 0.004 0.000 0.262 159 M C 2.123 178.371 176.300 -0.086 0.000 1.065 159 M CA 1.347 56.606 55.300 -0.069 0.000 1.114 159 M CB -0.172 32.394 32.600 -0.058 0.000 1.361 159 M HN -0.009 nan 8.290 nan 0.000 0.408 160 V N 1.434 121.299 119.914 -0.081 0.000 2.287 160 V HA -0.319 3.803 4.120 0.004 0.000 0.248 160 V C 2.493 178.543 176.094 -0.074 0.000 1.053 160 V CA 2.007 64.261 62.300 -0.077 0.000 1.027 160 V CB -0.805 30.958 31.823 -0.101 0.000 0.646 160 V HN 0.560 nan 8.190 nan 0.000 0.447 161 L N -0.895 120.274 121.223 -0.091 0.000 2.042 161 L HA -0.252 4.091 4.340 0.004 0.000 0.210 161 L C 2.655 179.477 176.870 -0.079 0.000 1.076 161 L CA 1.769 56.568 54.840 -0.070 0.000 0.749 161 L CB -0.752 41.264 42.059 -0.072 0.000 0.893 161 L HN 0.421 nan 8.230 nan 0.000 0.432 162 C N -0.161 119.045 119.300 -0.156 0.000 2.432 162 C HA -0.158 4.305 4.460 0.004 0.000 0.277 162 C C 2.638 177.511 174.990 -0.196 0.000 1.249 162 C CA 0.432 59.238 59.018 -0.353 0.000 1.725 162 C CB -0.857 26.518 27.740 -0.608 0.000 2.028 162 C HN 0.440 nan 8.230 nan 0.000 0.477 163 L N 0.401 121.592 121.223 -0.053 0.000 2.450 163 L HA -0.166 4.177 4.340 0.004 0.000 0.224 163 L C 2.333 179.276 176.870 0.122 0.000 1.149 163 L CA 1.219 56.136 54.840 0.129 0.000 0.816 163 L CB -0.643 41.456 42.059 0.067 0.000 0.932 163 L HN 0.553 nan 8.230 nan 0.000 0.449 164 Q N -0.551 119.289 119.800 0.066 0.000 2.319 164 Q HA 0.148 4.490 4.340 0.004 0.000 0.202 164 Q C 1.362 177.414 176.000 0.086 0.000 0.896 164 Q CA 0.492 56.331 55.803 0.060 0.000 0.942 164 Q CB 0.822 29.574 28.738 0.023 0.000 1.083 164 Q HN 0.528 nan 8.270 nan 0.000 0.510 165 G N 1.837 110.719 108.800 0.135 0.000 2.141 165 G HA2 -0.305 3.657 3.960 0.004 0.000 0.242 165 G HA3 -0.305 3.657 3.960 0.004 0.000 0.242 165 G C 0.564 175.521 174.900 0.095 0.000 0.982 165 G CA 0.063 45.263 45.100 0.166 0.000 0.662 165 G HN 0.302 nan 8.290 nan 0.000 0.527 166 R N 0.151 120.679 120.500 0.047 0.000 2.515 166 R HA 0.471 4.814 4.340 0.004 0.000 0.294 166 R C 1.008 177.308 176.300 0.000 0.000 1.021 166 R CA 0.520 56.637 56.100 0.028 0.000 1.081 166 R CB 0.740 31.057 30.300 0.028 0.000 1.263 166 R HN 0.536 nan 8.270 nan 0.000 0.557 167 G N -0.346 108.434 108.800 -0.033 0.000 2.677 167 G HA2 0.220 4.182 3.960 0.004 0.000 0.291 167 G HA3 0.220 4.182 3.960 0.004 0.000 0.291 167 G C -1.534 173.285 174.900 -0.135 0.000 1.435 167 G CA -0.690 44.362 45.100 -0.080 0.000 0.826 167 G HN -0.120 nan 8.290 nan 0.000 0.491 168 D N -0.523 119.812 120.400 -0.108 0.000 2.360 168 D HA 0.583 5.226 4.640 0.004 0.000 0.242 168 D C -0.507 175.665 176.300 -0.213 0.000 1.184 168 D CA 0.526 54.493 54.000 -0.055 0.000 0.930 168 D CB 0.913 41.715 40.800 0.002 0.000 1.161 168 D HN 0.095 nan 8.370 nan 0.000 0.447 169 F N -0.522 119.453 119.950 0.041 0.000 2.598 169 F HA 0.524 5.054 4.527 0.005 0.000 0.327 169 F C -0.163 175.684 175.800 0.078 0.000 1.057 169 F CA -0.886 57.147 58.000 0.054 0.000 0.957 169 F CB 1.215 40.248 39.000 0.054 0.000 1.278 169 F HN -0.065 nan 8.300 nan 0.000 0.484 170 L N 1.664 123.092 121.223 0.341 0.000 2.362 170 L HA 0.432 4.774 4.340 0.004 0.000 0.271 170 L C -0.897 176.199 176.870 0.376 0.000 1.002 170 L CA -1.040 53.975 54.840 0.292 0.000 0.818 170 L CB 1.869 44.099 42.059 0.285 0.000 1.298 170 L HN 0.602 nan 8.230 nan 0.000 0.420 171 D N 1.303 121.823 120.400 0.200 0.000 2.506 171 D HA 0.201 4.844 4.640 0.004 0.000 0.272 171 D C 0.787 176.925 176.300 -0.269 0.000 1.214 171 D CA -0.586 53.454 54.000 0.067 0.000 1.067 171 D CB 0.782 41.574 40.800 -0.013 0.000 1.117 171 D HN 0.336 nan 8.370 nan 0.000 0.578 172 R N -0.667 119.414 120.500 -0.699 0.000 2.159 172 R HA -0.092 4.251 4.340 0.004 0.000 0.237 172 R C 0.718 176.696 176.300 -0.537 0.000 1.131 172 R CA 1.364 56.748 56.100 -1.194 0.000 0.982 172 R CB -0.139 29.558 30.300 -1.006 0.000 0.868 172 R HN 0.514 nan 8.270 nan 0.000 0.453 173 D N -1.272 118.960 120.400 -0.280 0.000 2.349 173 D HA 0.049 4.692 4.640 0.004 0.000 0.215 173 D C 1.229 177.494 176.300 -0.057 0.000 1.016 173 D CA 1.021 54.938 54.000 -0.139 0.000 0.870 173 D CB 0.762 41.503 40.800 -0.098 0.000 0.917 173 D HN 0.442 nan 8.370 nan 0.000 0.524 174 G N 1.438 110.224 108.800 -0.023 0.000 2.176 174 G HA2 -0.260 3.703 3.960 0.004 0.000 0.232 174 G HA3 -0.260 3.703 3.960 0.004 0.000 0.232 174 G C 0.641 175.568 174.900 0.045 0.000 0.986 174 G CA 0.385 45.512 45.100 0.046 0.000 0.643 174 G HN 0.426 nan 8.290 nan 0.000 0.522 175 T N -0.239 114.330 114.554 0.026 0.000 2.870 175 T HA 0.592 4.945 4.350 0.004 0.000 0.300 175 T C 0.553 175.289 174.700 0.061 0.000 0.989 175 T CA -0.210 61.909 62.100 0.031 0.000 1.139 175 T CB 1.148 70.023 68.868 0.013 0.000 0.920 175 T HN 0.521 nan 8.240 nan 0.000 0.537 176 R N 2.390 122.926 120.500 0.060 0.000 2.410 176 R HA 0.598 4.941 4.340 0.004 0.000 0.288 176 R C -0.318 176.033 176.300 0.086 0.000 1.051 176 R CA -0.658 55.490 56.100 0.080 0.000 1.021 176 R CB 0.744 31.079 30.300 0.059 0.000 1.032 176 R HN 0.604 nan 8.270 nan 0.000 0.481 177 L N 1.914 123.213 121.223 0.128 0.000 2.362 177 L HA 0.320 4.663 4.340 0.004 0.000 0.271 177 L C -0.268 176.699 176.870 0.161 0.000 1.002 177 L CA -1.320 53.597 54.840 0.129 0.000 0.818 177 L CB 1.907 44.050 42.059 0.140 0.000 1.298 177 L HN 0.675 nan 8.230 nan 0.000 0.420 178 D N 1.160 121.634 120.400 0.123 0.000 2.360 178 D HA 0.094 4.737 4.640 0.004 0.000 0.242 178 D C 1.236 177.658 176.300 0.204 0.000 1.184 178 D CA -0.016 54.058 54.000 0.124 0.000 0.930 178 D CB 0.968 41.815 40.800 0.079 0.000 1.161 178 D HN 0.582 nan 8.370 nan 0.000 0.447 179 G N 0.228 109.144 108.800 0.193 0.000 2.553 179 G HA2 -0.296 3.667 3.960 0.004 0.000 0.218 179 G HA3 -0.296 3.667 3.960 0.004 0.000 0.218 179 G C 1.509 176.554 174.900 0.242 0.000 1.195 179 G CA 2.052 47.324 45.100 0.286 0.000 0.779 179 G HN 0.732 nan 8.290 nan 0.000 0.577 180 A N 0.618 123.516 122.820 0.130 0.000 1.883 180 A HA -0.097 4.226 4.320 0.004 0.000 0.217 180 A C 2.231 179.839 177.584 0.041 0.000 1.186 180 A CA 2.408 54.489 52.037 0.075 0.000 0.624 180 A CB -0.517 18.514 19.000 0.052 0.000 0.822 180 A HN 0.431 nan 8.150 nan 0.000 0.444 181 E N 0.065 120.294 120.200 0.048 0.000 2.153 181 E HA -0.041 4.312 4.350 0.004 0.000 0.194 181 E C 1.940 178.514 176.600 -0.044 0.000 0.988 181 E CA 1.510 57.919 56.400 0.014 0.000 0.811 181 E CB -0.795 28.925 29.700 0.035 0.000 0.746 181 E HN 0.419 nan 8.360 nan 0.000 0.466 182 G N 0.656 109.424 108.800 -0.054 0.000 2.404 182 G HA2 -0.203 3.759 3.960 0.004 0.000 0.215 182 G HA3 -0.203 3.759 3.960 0.004 0.000 0.215 182 G C 1.600 176.173 174.900 -0.545 0.000 1.174 182 G CA 0.861 45.713 45.100 -0.413 0.000 0.780 182 G HN 0.306 nan 8.290 nan 0.000 0.537 183 L N -0.082 120.941 121.223 -0.333 0.000 2.042 183 L HA -0.071 4.272 4.340 0.004 0.000 0.210 183 L C 2.912 179.697 176.870 -0.142 0.000 1.076 183 L CA 1.420 56.135 54.840 -0.208 0.000 0.749 183 L CB -0.459 41.574 42.059 -0.043 0.000 0.893 183 L HN 0.218 nan 8.230 nan 0.000 0.432 184 R N 0.597 121.038 120.500 -0.099 0.000 2.075 184 R HA -0.205 4.138 4.340 0.004 0.000 0.230 184 R C 2.552 178.806 176.300 -0.076 0.000 1.140 184 R CA 1.776 57.838 56.100 -0.064 0.000 0.928 184 R CB -0.264 30.014 30.300 -0.038 0.000 0.834 184 R HN 0.143 nan 8.270 nan 0.000 0.429 185 R N -0.557 119.891 120.500 -0.088 0.000 2.096 185 R HA -0.119 4.224 4.340 0.004 0.000 0.240 185 R C 1.930 178.178 176.300 -0.086 0.000 1.139 185 R CA 1.969 58.023 56.100 -0.076 0.000 0.952 185 R CB -0.607 29.651 30.300 -0.070 0.000 0.854 185 R HN 0.469 nan 8.270 nan 0.000 0.436 186 G N -0.496 108.220 108.800 -0.140 0.000 2.985 186 G HA2 -0.047 3.915 3.960 0.004 0.000 0.209 186 G HA3 -0.047 3.915 3.960 0.004 0.000 0.209 186 G C -0.210 174.633 174.900 -0.095 0.000 1.165 186 G CA -0.193 44.833 45.100 -0.123 0.000 0.776 186 G HN 0.364 nan 8.290 nan 0.000 0.541 187 R N -1.093 119.355 120.500 -0.086 0.000 3.267 187 R HA -0.136 4.207 4.340 0.004 0.000 0.254 187 R C -0.720 175.545 176.300 -0.059 0.000 0.993 187 R CA 0.317 56.382 56.100 -0.059 0.000 0.670 187 R CB -2.207 28.070 30.300 -0.039 0.000 1.125 187 R HN 0.339 nan 8.270 nan 0.000 0.434 188 L N 0.808 121.983 121.223 -0.080 0.000 2.325 188 L HA 0.359 4.701 4.340 0.004 0.000 0.278 188 L C 0.720 177.574 176.870 -0.027 0.000 1.023 188 L CA -0.768 54.037 54.840 -0.059 0.000 0.811 188 L CB 1.796 43.798 42.059 -0.096 0.000 1.249 188 L HN 0.107 nan 8.230 nan 0.000 0.431 189 Q N 3.675 123.472 119.800 -0.006 0.000 2.235 189 Q HA 0.320 4.662 4.340 0.004 0.000 0.250 189 Q C -2.232 173.784 176.000 0.027 0.000 0.909 189 Q CA -1.897 53.911 55.803 0.008 0.000 0.910 189 Q CB 1.248 29.990 28.738 0.006 0.000 1.223 189 Q HN 0.333 nan 8.270 nan 0.000 0.432 190 P HA -0.076 nan 4.420 nan 0.000 0.264 190 P C -0.585 176.740 177.300 0.040 0.000 1.193 190 P CA -0.265 62.864 63.100 0.049 0.000 0.763 190 P CB 0.482 32.207 31.700 0.043 0.000 0.810 191 L N 3.458 124.708 121.223 0.045 0.000 2.540 191 L HA 0.101 4.444 4.340 0.004 0.000 0.276 191 L C -0.005 176.881 176.870 0.026 0.000 1.212 191 L CA 0.740 55.598 54.840 0.030 0.000 0.893 191 L CB -0.580 41.493 42.059 0.024 0.000 1.138 191 L HN 0.342 nan 8.230 nan 0.000 0.491 192 D N 4.280 124.699 120.400 0.031 0.000 2.471 192 D HA 0.269 4.911 4.640 0.004 0.000 0.245 192 D C -0.106 176.231 176.300 0.062 0.000 1.116 192 D CA -0.230 53.797 54.000 0.044 0.000 0.853 192 D CB 0.722 41.556 40.800 0.057 0.000 1.123 192 D HN 0.601 nan 8.370 nan 0.000 0.540 193 L N 3.230 124.481 121.223 0.047 0.000 2.783 193 L HA 0.127 4.469 4.340 0.004 0.000 0.236 193 L C 1.903 178.817 176.870 0.072 0.000 1.225 193 L CA -0.134 54.740 54.840 0.057 0.000 1.026 193 L CB -0.255 41.814 42.059 0.017 0.000 1.314 193 L HN 0.436 nan 8.230 nan 0.000 0.489 194 S N -1.784 113.964 115.700 0.080 0.000 2.419 194 S HA -0.239 4.234 4.470 0.004 0.000 0.235 194 S C 1.508 176.076 174.600 -0.052 0.000 1.019 194 S CA 1.109 59.308 58.200 -0.002 0.000 0.982 194 S CB -0.473 62.694 63.200 -0.055 0.000 0.789 194 S HN 0.532 nan 8.310 nan 0.000 0.490 195 H N 1.603 120.667 119.070 -0.010 0.000 2.563 195 H HA 0.331 4.890 4.556 0.004 0.000 0.272 195 H C 0.630 175.950 175.328 -0.013 0.000 1.005 195 H CA 0.573 56.612 56.048 -0.015 0.000 1.171 195 H CB -0.223 29.527 29.762 -0.019 0.000 1.351 195 H HN 0.406 nan 8.280 nan 0.000 0.602 196 R N 0.767 121.318 120.500 0.084 0.000 3.531 196 R HA -0.133 4.210 4.340 0.004 0.000 0.280 196 R C -0.745 175.602 176.300 0.078 0.000 1.130 196 R CA 0.837 56.974 56.100 0.062 0.000 0.757 196 R CB -1.844 28.480 30.300 0.039 0.000 1.218 196 R HN 0.529 nan 8.270 nan 0.000 0.454 197 D N -1.055 119.395 120.400 0.083 0.000 2.525 197 D HA 0.242 4.885 4.640 0.004 0.000 0.229 197 D C 1.242 177.580 176.300 0.064 0.000 1.202 197 D CA 0.295 54.340 54.000 0.076 0.000 0.828 197 D CB 0.330 41.160 40.800 0.051 0.000 1.008 197 D HN 0.287 nan 8.370 nan 0.000 0.493 198 A N 0.679 123.532 122.820 0.055 0.000 1.940 198 A HA -0.103 4.220 4.320 0.004 0.000 0.219 198 A C 2.148 179.748 177.584 0.026 0.000 1.176 198 A CA 0.749 52.798 52.037 0.021 0.000 0.631 198 A CB -0.671 18.329 19.000 -0.001 0.000 0.814 198 A HN 0.381 nan 8.150 nan 0.000 0.446 199 L N -0.914 120.357 121.223 0.080 0.000 2.549 199 L HA -0.133 4.209 4.340 0.004 0.000 0.229 199 L C 2.725 179.646 176.870 0.087 0.000 1.158 199 L CA 0.589 55.488 54.840 0.098 0.000 0.842 199 L CB -0.424 41.744 42.059 0.181 0.000 0.952 199 L HN 0.485 nan 8.230 nan 0.000 0.452 200 A N -0.371 122.497 122.820 0.080 0.000 2.072 200 A HA 0.021 4.344 4.320 0.004 0.000 0.216 200 A C 2.120 179.720 177.584 0.028 0.000 1.156 200 A CA 0.755 52.833 52.037 0.067 0.000 0.701 200 A CB -0.037 19.003 19.000 0.066 0.000 0.816 200 A HN 0.383 nan 8.150 nan 0.000 0.458 201 L N -1.029 120.199 121.223 0.008 0.000 2.316 201 L HA 0.117 4.460 4.340 0.004 0.000 0.207 201 L C 0.104 176.954 176.870 -0.032 0.000 1.070 201 L CA 0.276 55.106 54.840 -0.016 0.000 0.820 201 L CB 0.203 42.245 42.059 -0.028 0.000 0.992 201 L HN 0.041 nan 8.230 nan 0.000 0.466 202 V N 2.135 122.022 119.914 -0.045 0.000 2.258 202 V HA 0.357 4.480 4.120 0.004 0.000 0.258 202 V C -0.448 175.623 176.094 -0.040 0.000 1.121 202 V CA -0.175 62.080 62.300 -0.076 0.000 0.942 202 V CB -0.188 31.546 31.823 -0.148 0.000 1.170 202 V HN 0.343 nan 8.190 nan 0.000 0.487 203 N N 2.176 120.866 118.700 -0.017 0.000 3.533 203 N HA 0.481 5.224 4.740 0.004 0.000 0.229 203 N C -0.092 175.440 175.510 0.037 0.000 1.418 203 N CA 0.586 53.648 53.050 0.020 0.000 0.880 203 N CB 2.174 40.693 38.487 0.053 0.000 1.415 203 N HN 0.777 nan 8.380 nan 0.000 0.491 204 G N 0.034 108.889 108.800 0.092 0.000 2.645 204 G HA2 -0.239 3.723 3.960 0.004 0.000 0.239 204 G HA3 -0.239 3.723 3.960 0.004 0.000 0.239 204 G C 0.210 175.156 174.900 0.076 0.000 1.331 204 G CA 0.509 45.668 45.100 0.097 0.000 0.890 204 G HN 1.261 nan 8.290 nan 0.000 0.572 205 T N -3.052 111.532 114.554 0.051 0.000 3.269 205 T HA 0.572 4.925 4.350 0.004 0.000 0.269 205 T C 1.806 176.512 174.700 0.009 0.000 0.993 205 T CA 0.957 63.078 62.100 0.035 0.000 0.909 205 T CB 0.404 69.291 68.868 0.031 0.000 1.115 205 T HN 0.840 nan 8.240 nan 0.000 0.543 206 S N 1.676 117.377 115.700 0.002 0.000 2.374 206 S HA -0.083 4.390 4.470 0.004 0.000 0.227 206 S C 2.471 177.062 174.600 -0.015 0.000 1.037 206 S CA 1.333 59.525 58.200 -0.013 0.000 1.024 206 S CB -0.619 62.569 63.200 -0.019 0.000 0.861 206 S HN 0.841 nan 8.310 nan 0.000 0.456 207 A N 2.732 125.546 122.820 -0.009 0.000 1.841 207 A HA -0.104 4.219 4.320 0.004 0.000 0.214 207 A C 2.293 179.879 177.584 0.003 0.000 1.195 207 A CA 1.835 53.868 52.037 -0.007 0.000 0.611 207 A CB -0.847 18.150 19.000 -0.005 0.000 0.835 207 A HN 0.656 nan 8.150 nan 0.000 0.443 208 M N -1.377 118.229 119.600 0.010 0.000 2.159 208 M HA -0.107 4.376 4.480 0.004 0.000 0.263 208 M C 1.835 178.143 176.300 0.012 0.000 1.063 208 M CA 2.382 57.693 55.300 0.018 0.000 1.110 208 M CB -1.429 31.185 32.600 0.022 0.000 1.374 208 M HN 0.180 nan 8.290 nan 0.000 0.411 209 T N 1.112 115.664 114.554 -0.003 0.000 2.777 209 T HA -0.011 4.342 4.350 0.004 0.000 0.266 209 T C 1.977 176.674 174.700 -0.005 0.000 1.040 209 T CA 1.671 63.760 62.100 -0.018 0.000 1.141 209 T CB -0.803 68.046 68.868 -0.032 0.000 0.868 209 T HN 0.722 nan 8.240 nan 0.000 0.444 210 G N 1.416 110.212 108.800 -0.007 0.000 2.421 210 G HA2 -0.134 3.828 3.960 0.004 0.000 0.216 210 G HA3 -0.134 3.828 3.960 0.004 0.000 0.216 210 G C 1.524 176.438 174.900 0.023 0.000 1.171 210 G CA 0.551 45.647 45.100 -0.007 0.000 0.775 210 G HN 0.491 nan 8.290 nan 0.000 0.543 211 I N 1.544 122.132 120.570 0.030 0.000 2.208 211 I HA -0.203 3.969 4.170 0.004 0.000 0.245 211 I C 3.264 179.433 176.117 0.087 0.000 1.097 211 I CA 1.085 62.418 61.300 0.054 0.000 1.363 211 I CB -0.195 37.834 38.000 0.049 0.000 1.051 211 I HN 0.241 nan 8.210 nan 0.000 0.413 212 A N 1.195 124.069 122.820 0.090 0.000 1.969 212 A HA -0.155 4.168 4.320 0.004 0.000 0.218 212 A C 2.248 179.941 177.584 0.181 0.000 1.169 212 A CA 1.728 53.858 52.037 0.156 0.000 0.635 212 A CB -0.775 18.285 19.000 0.101 0.000 0.810 212 A HN 0.519 nan 8.150 nan 0.000 0.445 213 L N -2.073 119.219 121.223 0.115 0.000 2.156 213 L HA 0.019 4.362 4.340 0.004 0.000 0.208 213 L C 1.981 178.962 176.870 0.185 0.000 1.095 213 L CA 1.529 56.447 54.840 0.129 0.000 0.770 213 L CB -1.092 41.012 42.059 0.075 0.000 0.914 213 L HN -0.002 nan 8.230 nan 0.000 0.439 214 V N 0.953 120.975 119.914 0.180 0.000 2.358 214 V HA -0.188 3.935 4.120 0.004 0.000 0.246 214 V C 2.485 178.695 176.094 0.194 0.000 1.047 214 V CA 1.798 64.240 62.300 0.237 0.000 1.035 214 V CB -0.961 30.969 31.823 0.178 0.000 0.658 214 V HN 0.509 nan 8.190 nan 0.000 0.452 215 N N 0.811 119.601 118.700 0.149 0.000 2.104 215 N HA -0.137 4.606 4.740 0.004 0.000 0.190 215 N C 1.898 177.448 175.510 0.066 0.000 1.024 215 N CA 1.715 54.828 53.050 0.104 0.000 0.853 215 N CB -0.577 37.958 38.487 0.080 0.000 1.008 215 N HN 0.484 nan 8.380 nan 0.000 0.424 216 A N 0.261 123.144 122.820 0.105 0.000 1.877 216 A HA -0.212 4.111 4.320 0.004 0.000 0.216 216 A C 2.123 179.715 177.584 0.013 0.000 1.186 216 A CA 1.898 53.977 52.037 0.071 0.000 0.620 216 A CB -0.967 18.140 19.000 0.178 0.000 0.822 216 A HN 0.465 nan 8.150 nan 0.000 0.443 217 H N -0.300 118.726 119.070 -0.074 0.000 2.357 217 H HA 0.076 4.634 4.556 0.004 0.000 0.301 217 H C 2.196 177.429 175.328 -0.158 0.000 1.082 217 H CA 1.845 57.758 56.048 -0.226 0.000 1.342 217 H CB -0.201 29.258 29.762 -0.507 0.000 1.389 217 H HN 0.401 nan 8.280 nan 0.000 0.511 218 A N -0.349 122.487 122.820 0.027 0.000 1.902 218 A HA -0.174 4.148 4.320 0.004 0.000 0.217 218 A C 2.699 180.265 177.584 -0.030 0.000 1.181 218 A CA 1.445 53.508 52.037 0.044 0.000 0.623 218 A CB -1.200 17.858 19.000 0.097 0.000 0.818 218 A HN 0.643 nan 8.150 nan 0.000 0.443 219 C N -1.225 118.072 119.300 -0.005 0.000 2.425 219 C HA -0.053 4.410 4.460 0.004 0.000 0.277 219 C C 2.790 177.750 174.990 -0.050 0.000 1.280 219 C CA 1.154 60.207 59.018 0.059 0.000 1.744 219 C CB -1.343 26.472 27.740 0.125 0.000 1.989 219 C HN 0.735 nan 8.230 nan 0.000 0.491 220 R N -0.002 120.376 120.500 -0.202 0.000 2.083 220 R HA -0.156 4.186 4.340 0.004 0.000 0.237 220 R C 2.260 178.360 176.300 -0.334 0.000 1.137 220 R CA 1.717 57.618 56.100 -0.331 0.000 0.951 220 R CB -0.469 29.532 30.300 -0.499 0.000 0.851 220 R HN 0.605 nan 8.270 nan 0.000 0.434 221 H N 0.487 119.418 119.070 -0.232 0.000 2.353 221 H HA -0.094 4.464 4.556 0.004 0.000 0.300 221 H C 2.188 177.493 175.328 -0.038 0.000 1.090 221 H CA 1.643 57.602 56.048 -0.150 0.000 1.327 221 H CB -0.191 29.489 29.762 -0.136 0.000 1.383 221 H HN 0.261 nan 8.280 nan 0.000 0.508 222 L N -0.289 120.895 121.223 -0.065 0.000 2.093 222 L HA -0.071 4.272 4.340 0.004 0.000 0.208 222 L C 2.765 179.487 176.870 -0.246 0.000 1.085 222 L CA 1.040 55.663 54.840 -0.363 0.000 0.755 222 L CB -0.795 40.636 42.059 -1.047 0.000 0.904 222 L HN 0.297 nan 8.230 nan 0.000 0.435 223 G N -0.028 108.752 108.800 -0.034 0.000 2.422 223 G HA2 -0.261 3.702 3.960 0.004 0.000 0.218 223 G HA3 -0.261 3.702 3.960 0.004 0.000 0.218 223 G C 1.399 176.390 174.900 0.151 0.000 1.146 223 G CA 0.578 45.838 45.100 0.266 0.000 0.769 223 G HN 0.316 nan 8.290 nan 0.000 0.547 224 N N 0.055 118.737 118.700 -0.030 0.000 2.188 224 N HA -0.079 4.664 4.740 0.004 0.000 0.184 224 N C 1.842 177.277 175.510 -0.126 0.000 1.018 224 N CA 0.830 53.808 53.050 -0.120 0.000 0.858 224 N CB -0.342 38.008 38.487 -0.228 0.000 0.989 224 N HN 0.585 nan 8.380 nan 0.000 0.426 225 W N 1.652 122.912 121.300 -0.067 0.000 2.388 225 W HA 0.051 4.714 4.660 0.005 0.000 0.294 225 W C 2.498 179.003 176.519 -0.023 0.000 1.212 225 W CA 1.157 58.461 57.345 -0.068 0.000 1.271 225 W CB -0.419 28.958 29.460 -0.140 0.000 1.126 225 W HN 0.029 nan 8.180 nan 0.000 0.535 226 A N -0.128 122.830 122.820 0.231 0.000 1.908 226 A HA -0.191 4.131 4.320 0.004 0.000 0.218 226 A C 1.995 179.675 177.584 0.160 0.000 1.181 226 A CA 2.219 54.402 52.037 0.244 0.000 0.627 226 A CB -1.112 18.125 19.000 0.394 0.000 0.818 226 A HN 0.105 nan 8.150 nan 0.000 0.445 227 V N -0.381 119.611 119.914 0.130 0.000 2.270 227 V HA -0.193 3.929 4.120 0.004 0.000 0.245 227 V C 3.077 179.164 176.094 -0.012 0.000 1.043 227 V CA 1.881 64.199 62.300 0.031 0.000 1.014 227 V CB -1.218 30.627 31.823 0.037 0.000 0.645 227 V HN 0.616 nan 8.190 nan 0.000 0.447 228 A N -0.235 122.572 122.820 -0.022 0.000 1.908 228 A HA -0.171 4.152 4.320 0.004 0.000 0.218 228 A C 2.190 179.804 177.584 0.050 0.000 1.181 228 A CA 1.868 53.883 52.037 -0.037 0.000 0.627 228 A CB -0.559 18.340 19.000 -0.168 0.000 0.818 228 A HN 0.514 nan 8.150 nan 0.000 0.445 229 L N -1.061 120.232 121.223 0.117 0.000 2.156 229 L HA -0.108 4.235 4.340 0.004 0.000 0.208 229 L C 2.675 179.616 176.870 0.117 0.000 1.095 229 L CA 1.537 56.461 54.840 0.139 0.000 0.770 229 L CB -0.884 41.279 42.059 0.173 0.000 0.914 229 L HN 0.326 nan 8.230 nan 0.000 0.439 230 T N 0.120 114.735 114.554 0.102 0.000 2.777 230 T HA -0.125 4.227 4.350 0.004 0.000 0.266 230 T C 2.052 176.873 174.700 0.201 0.000 1.040 230 T CA 1.299 63.472 62.100 0.122 0.000 1.141 230 T CB -0.116 68.775 68.868 0.038 0.000 0.868 230 T HN 0.431 nan 8.240 nan 0.000 0.444 231 A N 1.255 124.157 122.820 0.135 0.000 1.902 231 A HA 0.005 4.328 4.320 0.004 0.000 0.217 231 A C 2.203 179.910 177.584 0.206 0.000 1.181 231 A CA 1.164 53.342 52.037 0.235 0.000 0.623 231 A CB -0.766 18.302 19.000 0.114 0.000 0.818 231 A HN 0.398 nan 8.150 nan 0.000 0.443 232 L N -0.766 120.537 121.223 0.133 0.000 2.141 232 L HA -0.060 4.283 4.340 0.004 0.000 0.209 232 L C 2.185 179.115 176.870 0.100 0.000 1.094 232 L CA 1.715 56.617 54.840 0.103 0.000 0.763 232 L CB -0.651 41.460 42.059 0.086 0.000 0.908 232 L HN 0.373 nan 8.230 nan 0.000 0.437 233 L N -0.085 121.208 121.223 0.116 0.000 2.046 233 L HA -0.110 4.233 4.340 0.004 0.000 0.208 233 L C 2.497 179.426 176.870 0.098 0.000 1.077 233 L CA 2.087 56.986 54.840 0.098 0.000 0.747 233 L CB -1.020 41.107 42.059 0.114 0.000 0.896 233 L HN 0.256 nan 8.230 nan 0.000 0.432 234 A N -0.855 122.056 122.820 0.152 0.000 1.933 234 A HA -0.216 4.106 4.320 0.004 0.000 0.218 234 A C 2.128 179.737 177.584 0.041 0.000 1.175 234 A CA 1.827 53.916 52.037 0.086 0.000 0.628 234 A CB -0.617 18.448 19.000 0.109 0.000 0.814 234 A HN 0.651 nan 8.150 nan 0.000 0.444 235 E N -1.203 119.038 120.200 0.068 0.000 2.347 235 E HA -0.099 4.254 4.350 0.004 0.000 0.196 235 E C 1.541 178.158 176.600 0.030 0.000 1.008 235 E CA 0.832 57.259 56.400 0.044 0.000 0.852 235 E CB -0.216 29.518 29.700 0.056 0.000 0.783 235 E HN 0.682 nan 8.360 nan 0.000 0.505 236 C N -0.008 119.311 119.300 0.031 0.000 2.634 236 C HA 0.178 4.640 4.460 0.004 0.000 0.268 236 C C 1.653 176.647 174.990 0.008 0.000 1.322 236 C CA -0.016 59.013 59.018 0.018 0.000 1.737 236 C CB -0.165 27.585 27.740 0.016 0.000 1.976 236 C HN 0.311 nan 8.230 nan 0.000 0.547 237 L N 0.024 121.252 121.223 0.008 0.000 3.202 237 L HA 0.287 4.630 4.340 0.004 0.000 0.278 237 L C 0.340 177.201 176.870 -0.016 0.000 1.268 237 L CA -0.089 54.749 54.840 -0.004 0.000 1.034 237 L CB -0.271 41.789 42.059 0.002 0.000 1.407 237 L HN 0.222 nan 8.230 nan 0.000 0.581 238 R N 0.463 120.953 120.500 -0.017 0.000 3.405 238 R HA -0.160 4.183 4.340 0.004 0.000 0.258 238 R C 0.738 177.003 176.300 -0.058 0.000 1.030 238 R CA 0.459 56.542 56.100 -0.029 0.000 0.691 238 R CB -1.965 28.320 30.300 -0.024 0.000 1.093 238 R HN 0.516 nan 8.270 nan 0.000 0.448 239 G N 0.710 109.461 108.800 -0.081 0.000 2.559 239 G HA2 0.132 4.095 3.960 0.004 0.000 0.235 239 G HA3 0.132 4.095 3.960 0.004 0.000 0.235 239 G C 0.065 174.822 174.900 -0.238 0.000 1.266 239 G CA -0.494 44.510 45.100 -0.160 0.000 0.847 239 G HN 0.252 nan 8.290 nan 0.000 0.583 240 R N 0.625 120.950 120.500 -0.290 0.000 2.202 240 R HA 0.237 4.580 4.340 0.004 0.000 0.334 240 R C 1.601 177.604 176.300 -0.495 0.000 1.036 240 R CA 0.205 56.136 56.100 -0.282 0.000 0.878 240 R CB 0.901 31.093 30.300 -0.180 0.000 1.067 240 R HN 0.708 nan 8.270 nan 0.000 0.457 241 T N -1.116 113.202 114.554 -0.393 0.000 3.035 241 T HA -0.139 4.214 4.350 0.004 0.000 0.268 241 T C 1.407 175.977 174.700 -0.217 0.000 1.109 241 T CA 0.958 62.816 62.100 -0.402 0.000 1.119 241 T CB -0.041 68.741 68.868 -0.144 0.000 0.900 241 T HN 0.741 nan 8.240 nan 0.000 0.503 242 E N 1.757 121.863 120.200 -0.158 0.000 2.265 242 E HA -0.004 4.348 4.350 0.004 0.000 0.196 242 E C 2.201 178.779 176.600 -0.036 0.000 0.996 242 E CA 0.883 57.246 56.400 -0.063 0.000 0.832 242 E CB -0.549 29.126 29.700 -0.042 0.000 0.756 242 E HN 0.613 nan 8.360 nan 0.000 0.491 243 A N 0.712 123.464 122.820 -0.114 0.000 2.119 243 A HA -0.073 4.249 4.320 0.004 0.000 0.217 243 A C 0.914 178.643 177.584 0.242 0.000 1.153 243 A CA 0.553 52.590 52.037 -0.000 0.000 0.692 243 A CB -0.577 18.386 19.000 -0.061 0.000 0.799 243 A HN 0.477 nan 8.150 nan 0.000 0.458 244 W N -0.309 120.993 121.300 0.004 0.000 3.239 244 W HA 0.599 5.261 4.660 0.004 0.000 0.368 244 W C 0.799 177.321 176.519 0.005 0.000 1.154 244 W CA -1.086 56.262 57.345 0.005 0.000 1.860 244 W CB -1.287 28.179 29.460 0.010 0.000 1.094 244 W HN 0.338 nan 8.180 nan 0.000 0.643 245 A N 0.817 123.750 122.820 0.189 0.000 2.498 245 A HA 0.446 4.769 4.320 0.004 0.000 0.239 245 A C 1.659 179.296 177.584 0.088 0.000 1.068 245 A CA 0.665 52.768 52.037 0.110 0.000 0.766 245 A CB 0.604 19.642 19.000 0.064 0.000 1.003 245 A HN 0.246 nan 8.150 nan 0.000 0.497 246 A N 2.294 125.154 122.820 0.066 0.000 2.019 246 A HA 0.145 4.468 4.320 0.004 0.000 0.219 246 A C 2.306 179.910 177.584 0.034 0.000 1.164 246 A CA 2.125 54.190 52.037 0.046 0.000 0.644 246 A CB -0.852 18.169 19.000 0.035 0.000 0.805 246 A HN 1.698 nan 8.150 nan 0.000 0.449 247 A N -0.228 122.611 122.820 0.032 0.000 1.933 247 A HA -0.056 4.267 4.320 0.004 0.000 0.218 247 A C 2.131 179.727 177.584 0.021 0.000 1.175 247 A CA 1.471 53.520 52.037 0.021 0.000 0.628 247 A CB -0.502 18.509 19.000 0.018 0.000 0.814 247 A HN 0.489 nan 8.150 nan 0.000 0.444 248 L N -0.658 120.584 121.223 0.032 0.000 2.056 248 L HA -0.132 4.210 4.340 0.004 0.000 0.207 248 L C 2.841 179.726 176.870 0.025 0.000 1.078 248 L CA 1.347 56.205 54.840 0.030 0.000 0.749 248 L CB -0.398 41.689 42.059 0.047 0.000 0.901 248 L HN 0.334 nan 8.230 nan 0.000 0.433 249 S N -0.230 115.489 115.700 0.032 0.000 2.370 249 S HA -0.192 4.281 4.470 0.004 0.000 0.226 249 S C 1.490 176.093 174.600 0.006 0.000 1.033 249 S CA 1.412 59.627 58.200 0.026 0.000 1.011 249 S CB -0.309 62.910 63.200 0.031 0.000 0.852 249 S HN 0.448 nan 8.310 nan 0.000 0.457 250 D N 1.458 121.860 120.400 0.005 0.000 2.178 250 D HA -0.029 4.613 4.640 0.004 0.000 0.201 250 D C 1.735 178.023 176.300 -0.020 0.000 0.980 250 D CA 0.712 54.708 54.000 -0.007 0.000 0.842 250 D CB -0.301 40.497 40.800 -0.002 0.000 0.948 250 D HN 0.338 nan 8.370 nan 0.000 0.472 251 L N -0.531 120.683 121.223 -0.015 0.000 2.291 251 L HA 0.010 4.352 4.340 0.004 0.000 0.214 251 L C 1.594 178.438 176.870 -0.043 0.000 1.120 251 L CA 0.553 55.380 54.840 -0.023 0.000 0.799 251 L CB 0.117 42.169 42.059 -0.011 0.000 0.925 251 L HN -0.167 nan 8.230 nan 0.000 0.446 252 R N 0.740 121.211 120.500 -0.049 0.000 2.653 252 R HA 0.187 4.530 4.340 0.004 0.000 0.269 252 R C -2.235 173.987 176.300 -0.131 0.000 1.603 252 R CA -1.355 54.688 56.100 -0.095 0.000 1.671 252 R CB 0.861 31.148 30.300 -0.022 0.000 1.300 252 R HN -0.142 nan 8.270 nan 0.000 0.668 253 P HA -0.075 nan 4.420 nan 0.000 0.272 253 P C -0.695 176.530 177.300 -0.126 0.000 1.542 253 P CA 0.257 63.290 63.100 -0.113 0.000 0.846 253 P CB -0.370 31.279 31.700 -0.086 0.000 1.782 254 H N 0.883 119.954 119.070 0.001 0.000 2.767 254 H HA 0.104 4.663 4.556 0.005 0.000 0.316 254 H C -1.344 173.996 175.328 0.020 0.000 1.059 254 H CA -1.575 54.476 56.048 0.005 0.000 1.461 254 H CB 0.600 30.359 29.762 -0.004 0.000 1.475 254 H HN 0.093 nan 8.280 nan 0.000 0.531 255 P HA -0.159 nan 4.420 nan 0.000 0.215 255 P C 1.657 179.032 177.300 0.125 0.000 1.157 255 P CA 1.695 64.858 63.100 0.104 0.000 0.874 255 P CB 0.099 31.853 31.700 0.091 0.000 0.790 256 G N -0.421 108.471 108.800 0.153 0.000 2.442 256 G HA2 -0.313 3.649 3.960 0.004 0.000 0.219 256 G HA3 -0.313 3.649 3.960 0.004 0.000 0.219 256 G C 1.681 176.682 174.900 0.168 0.000 1.141 256 G CA 0.801 46.024 45.100 0.206 0.000 0.763 256 G HN 0.331 nan 8.290 nan 0.000 0.554 257 Q N 0.141 120.004 119.800 0.104 0.000 2.049 257 Q HA -0.062 4.280 4.340 0.004 0.000 0.198 257 Q C 2.482 178.515 176.000 0.054 0.000 0.971 257 Q CA 1.540 57.374 55.803 0.051 0.000 0.833 257 Q CB -0.227 28.555 28.738 0.073 0.000 0.896 257 Q HN 0.502 nan 8.270 nan 0.000 0.434 258 K N 0.184 120.625 120.400 0.069 0.000 2.074 258 K HA -0.249 4.074 4.320 0.004 0.000 0.209 258 K C 1.652 178.281 176.600 0.049 0.000 1.048 258 K CA 1.967 58.283 56.287 0.049 0.000 0.926 258 K CB -0.198 32.329 32.500 0.044 0.000 0.713 258 K HN 0.220 nan 8.250 nan 0.000 0.444 259 D N -0.194 120.253 120.400 0.077 0.000 2.097 259 D HA -0.096 4.547 4.640 0.004 0.000 0.197 259 D C 1.742 178.101 176.300 0.097 0.000 0.984 259 D CA 1.553 55.600 54.000 0.079 0.000 0.826 259 D CB -0.093 40.764 40.800 0.095 0.000 0.973 259 D HN 0.326 nan 8.370 nan 0.000 0.460 260 A N 0.626 123.543 122.820 0.162 0.000 1.883 260 A HA -0.013 4.309 4.320 0.004 0.000 0.217 260 A C 2.409 179.949 177.584 -0.074 0.000 1.186 260 A CA 2.476 54.584 52.037 0.118 0.000 0.624 260 A CB -1.225 17.758 19.000 -0.029 0.000 0.822 260 A HN 0.336 nan 8.150 nan 0.000 0.444 261 A N -0.199 122.570 122.820 -0.085 0.000 1.877 261 A HA 0.130 4.452 4.320 0.004 0.000 0.216 261 A C 2.528 180.077 177.584 -0.059 0.000 1.186 261 A CA 2.272 54.239 52.037 -0.117 0.000 0.620 261 A CB -1.085 17.907 19.000 -0.014 0.000 0.822 261 A HN 1.122 nan 8.150 nan 0.000 0.443 262 A N -0.303 122.509 122.820 -0.013 0.000 1.902 262 A HA -0.171 4.152 4.320 0.004 0.000 0.217 262 A C 2.237 179.811 177.584 -0.017 0.000 1.181 262 A CA 1.659 53.697 52.037 0.002 0.000 0.623 262 A CB -0.434 18.570 19.000 0.008 0.000 0.818 262 A HN 0.552 nan 8.150 nan 0.000 0.443 263 R N -0.737 119.742 120.500 -0.035 0.000 2.115 263 R HA 0.061 4.404 4.340 0.004 0.000 0.230 263 R C 1.981 178.230 176.300 -0.085 0.000 1.111 263 R CA 1.138 57.208 56.100 -0.050 0.000 0.976 263 R CB -0.391 29.887 30.300 -0.036 0.000 0.870 263 R HN 0.502 nan 8.270 nan 0.000 0.445 264 L N 0.084 121.202 121.223 -0.174 0.000 2.056 264 L HA -0.128 4.215 4.340 0.004 0.000 0.207 264 L C 2.495 179.348 176.870 -0.030 0.000 1.078 264 L CA 1.322 55.980 54.840 -0.302 0.000 0.749 264 L CB -0.296 41.208 42.059 -0.924 0.000 0.901 264 L HN 0.114 nan 8.230 nan 0.000 0.433 265 R N -0.074 120.460 120.500 0.057 0.000 2.091 265 R HA -0.165 4.178 4.340 0.004 0.000 0.238 265 R C 2.375 178.732 176.300 0.094 0.000 1.136 265 R CA 1.426 57.620 56.100 0.158 0.000 0.959 265 R CB -0.552 29.823 30.300 0.125 0.000 0.856 265 R HN 0.366 nan 8.270 nan 0.000 0.437 266 A N 1.220 124.064 122.820 0.040 0.000 1.930 266 A HA -0.129 4.194 4.320 0.004 0.000 0.217 266 A C 2.048 179.645 177.584 0.022 0.000 1.175 266 A CA 0.991 53.041 52.037 0.022 0.000 0.627 266 A CB -0.235 18.763 19.000 -0.003 0.000 0.815 266 A HN 0.093 nan 8.150 nan 0.000 0.443 267 R N -0.164 120.347 120.500 0.018 0.000 2.091 267 R HA -0.120 4.222 4.340 0.004 0.000 0.238 267 R C 1.932 178.267 176.300 0.059 0.000 1.136 267 R CA 1.792 57.903 56.100 0.020 0.000 0.959 267 R CB -1.357 28.946 30.300 0.004 0.000 0.856 267 R HN 0.673 nan 8.270 nan 0.000 0.437 268 V N -0.713 119.267 119.914 0.111 0.000 3.633 268 V HA 0.112 4.234 4.120 0.004 0.000 0.283 268 V C 0.197 176.338 176.094 0.079 0.000 1.305 268 V CA -0.591 61.779 62.300 0.117 0.000 1.153 268 V CB -0.518 31.419 31.823 0.189 0.000 0.950 268 V HN -0.078 nan 8.190 nan 0.000 0.432 269 D N 1.563 122.000 120.400 0.062 0.000 2.493 269 D HA 0.394 5.036 4.640 0.004 0.000 0.240 269 D C 1.471 177.788 176.300 0.030 0.000 1.142 269 D CA 1.935 55.960 54.000 0.041 0.000 0.872 269 D CB 0.562 41.380 40.800 0.030 0.000 1.173 269 D HN 0.603 nan 8.370 nan 0.000 0.467 270 G N 2.355 111.169 108.800 0.022 0.000 2.176 270 G HA2 -0.262 3.700 3.960 0.004 0.000 0.253 270 G HA3 -0.262 3.700 3.960 0.004 0.000 0.253 270 G C 0.461 175.373 174.900 0.019 0.000 0.979 270 G CA 0.411 45.521 45.100 0.017 0.000 0.641 270 G HN 0.795 nan 8.290 nan 0.000 0.530 271 S N -0.023 115.693 115.700 0.026 0.000 2.565 271 S HA 0.676 5.148 4.470 0.004 0.000 0.276 271 S C 1.188 175.798 174.600 0.018 0.000 1.326 271 S CA 0.797 59.013 58.200 0.026 0.000 1.045 271 S CB 1.340 64.563 63.200 0.038 0.000 0.918 271 S HN 1.611 nan 8.310 nan 0.000 0.505 272 A N 4.933 127.764 122.820 0.017 0.000 2.508 272 A HA 0.351 4.674 4.320 0.004 0.000 0.257 272 A C 1.633 179.227 177.584 0.017 0.000 1.226 272 A CA -0.367 51.679 52.037 0.016 0.000 0.947 272 A CB 0.106 19.115 19.000 0.016 0.000 1.079 272 A HN 0.709 nan 8.150 nan 0.000 0.531 273 R N -0.167 120.343 120.500 0.017 0.000 2.265 273 R HA 0.121 4.463 4.340 0.004 0.000 0.194 273 R C 0.787 177.090 176.300 0.005 0.000 0.931 273 R CA 0.933 57.041 56.100 0.014 0.000 1.032 273 R CB -0.304 30.006 30.300 0.018 0.000 0.980 273 R HN 0.500 nan 8.270 nan 0.000 0.497 274 V N -1.509 118.404 119.914 -0.000 0.000 3.109 274 V HA 0.475 4.598 4.120 0.004 0.000 0.317 274 V C 0.469 176.554 176.094 -0.016 0.000 1.074 274 V CA -0.925 61.358 62.300 -0.029 0.000 1.033 274 V CB 1.927 33.719 31.823 -0.052 0.000 1.111 274 V HN -0.262 nan 8.190 nan 0.000 0.458 275 V N 3.105 122.999 119.914 -0.033 0.000 2.350 275 V HA 0.461 4.583 4.120 0.004 0.000 0.276 275 V C 0.985 177.082 176.094 0.005 0.000 1.028 275 V CA -0.279 62.040 62.300 0.033 0.000 0.860 275 V CB 0.753 32.586 31.823 0.017 0.000 0.990 275 V HN 0.923 nan 8.190 nan 0.000 0.453 276 R N 1.650 122.159 120.500 0.015 0.000 2.362 276 R HA 0.196 4.538 4.340 0.004 0.000 0.227 276 R C -0.223 176.000 176.300 -0.129 0.000 0.905 276 R CA -0.198 55.845 56.100 -0.094 0.000 1.067 276 R CB 0.192 30.403 30.300 -0.150 0.000 1.078 276 R HN 0.737 nan 8.270 nan 0.000 0.516 277 H N -0.082 118.963 119.070 -0.040 0.000 2.683 277 H HA 0.102 4.661 4.556 0.004 0.000 0.339 277 H C -0.170 175.138 175.328 -0.034 0.000 1.081 277 H CA -0.203 55.826 56.048 -0.031 0.000 1.432 277 H CB 0.952 30.698 29.762 -0.027 0.000 1.462 277 H HN -0.223 nan 8.280 nan 0.000 0.557 278 V N 5.713 125.671 119.914 0.073 0.000 2.408 278 V HA -0.030 4.092 4.120 0.004 0.000 0.267 278 V C 1.852 177.973 176.094 0.044 0.000 1.047 278 V CA -0.036 62.285 62.300 0.035 0.000 0.937 278 V CB -0.191 31.642 31.823 0.016 0.000 0.999 278 V HN 0.823 nan 8.190 nan 0.000 0.472 279 I N 3.190 123.776 120.570 0.027 0.000 2.335 279 I HA -0.136 4.036 4.170 0.004 0.000 0.251 279 I C 2.066 178.190 176.117 0.012 0.000 1.129 279 I CA 1.933 63.242 61.300 0.016 0.000 1.402 279 I CB -0.274 37.727 38.000 0.002 0.000 1.069 279 I HN 0.557 nan 8.210 nan 0.000 0.424 280 A N 1.061 123.887 122.820 0.011 0.000 2.216 280 A HA -0.087 4.236 4.320 0.004 0.000 0.214 280 A C 2.103 179.694 177.584 0.011 0.000 1.160 280 A CA 1.100 53.142 52.037 0.009 0.000 0.725 280 A CB -0.673 18.331 19.000 0.007 0.000 0.784 280 A HN 0.652 nan 8.150 nan 0.000 0.472 281 E N -0.343 119.868 120.200 0.017 0.000 2.285 281 E HA -0.064 4.289 4.350 0.004 0.000 0.194 281 E C 1.140 177.750 176.600 0.016 0.000 0.997 281 E CA -0.106 56.305 56.400 0.019 0.000 0.845 281 E CB -0.021 29.697 29.700 0.030 0.000 0.782 281 E HN 0.530 nan 8.360 nan 0.000 0.491 282 R N 2.014 122.521 120.500 0.013 0.000 2.401 282 R HA 0.102 4.445 4.340 0.004 0.000 0.299 282 R C -0.565 175.736 176.300 0.001 0.000 1.064 282 R CA -0.039 56.063 56.100 0.004 0.000 1.000 282 R CB 0.445 30.743 30.300 -0.005 0.000 0.973 282 R HN -0.090 nan 8.270 nan 0.000 0.438 283 R N 4.950 125.450 120.500 0.000 0.000 2.265 283 R HA 0.301 4.643 4.340 0.004 0.000 0.319 283 R C -0.477 175.821 176.300 -0.003 0.000 1.006 283 R CA -0.537 55.562 56.100 -0.001 0.000 0.880 283 R CB 1.168 31.468 30.300 0.000 0.000 1.077 283 R HN 0.464 nan 8.270 nan 0.000 0.454 284 L N 2.755 123.975 121.223 -0.004 0.000 2.357 284 L HA 0.376 4.718 4.340 0.004 0.000 0.273 284 L C 0.067 176.934 176.870 -0.005 0.000 1.080 284 L CA -0.606 54.231 54.840 -0.005 0.000 0.803 284 L CB 1.013 43.069 42.059 -0.006 0.000 1.174 284 L HN 0.681 nan 8.230 nan 0.000 0.443 285 D N 0.730 121.127 120.400 -0.005 0.000 2.533 285 D HA 0.450 5.092 4.640 0.004 0.000 0.247 285 D C 0.566 176.863 176.300 -0.005 0.000 1.056 285 D CA -0.398 53.600 54.000 -0.005 0.000 1.054 285 D CB 1.342 42.140 40.800 -0.005 0.000 1.400 285 D HN 0.425 nan 8.370 nan 0.000 0.533 286 A N 0.010 122.827 122.820 -0.004 0.000 1.948 286 A HA -0.008 4.314 4.320 0.004 0.000 0.220 286 A C 2.024 179.604 177.584 -0.005 0.000 1.177 286 A CA 2.183 54.218 52.037 -0.004 0.000 0.636 286 A CB -1.636 17.362 19.000 -0.004 0.000 0.815 286 A HN 0.708 nan 8.150 nan 0.000 0.449 287 G N -1.059 107.738 108.800 -0.006 0.000 2.559 287 G HA2 -0.109 3.854 3.960 0.004 0.000 0.216 287 G HA3 -0.109 3.854 3.960 0.004 0.000 0.216 287 G C 0.923 175.818 174.900 -0.008 0.000 1.126 287 G CA 0.989 46.085 45.100 -0.007 0.000 0.778 287 G HN 0.520 nan 8.290 nan 0.000 0.543 288 D N 0.256 120.651 120.400 -0.008 0.000 2.333 288 D HA 0.027 4.670 4.640 0.004 0.000 0.208 288 D C 0.862 177.157 176.300 -0.009 0.000 0.984 288 D CA -0.067 53.927 54.000 -0.010 0.000 0.873 288 D CB 0.448 41.242 40.800 -0.011 0.000 0.935 288 D HN 0.134 nan 8.370 nan 0.000 0.521 289 I N 1.803 122.368 120.570 -0.008 0.000 2.576 289 I HA 0.284 4.457 4.170 0.004 0.000 0.288 289 I C 1.264 177.377 176.117 -0.007 0.000 1.126 289 I CA 0.620 61.916 61.300 -0.007 0.000 1.362 289 I CB -0.105 37.891 38.000 -0.005 0.000 1.419 289 I HN -0.081 nan 8.210 nan 0.000 0.533 290 G N 5.185 113.980 108.800 -0.008 0.000 2.348 290 G HA2 0.273 4.236 3.960 0.004 0.000 0.296 290 G HA3 0.273 4.236 3.960 0.004 0.000 0.296 290 G C -1.221 173.673 174.900 -0.009 0.000 1.258 290 G CA -0.559 44.536 45.100 -0.008 0.000 0.868 290 G HN 0.302 nan 8.290 nan 0.000 0.488 291 T N 1.862 116.410 114.554 -0.009 0.000 2.749 291 T HA 0.540 4.893 4.350 0.004 0.000 0.287 291 T C -0.203 174.490 174.700 -0.012 0.000 0.970 291 T CA -0.190 61.904 62.100 -0.010 0.000 0.980 291 T CB 1.251 70.113 68.868 -0.010 0.000 0.924 291 T HN 0.412 nan 8.240 nan 0.000 0.456 292 E N 3.187 123.378 120.200 -0.014 0.000 2.250 292 E HA 0.219 4.571 4.350 0.004 0.000 0.269 292 E C -1.331 175.258 176.600 -0.017 0.000 1.018 292 E CA -2.026 54.364 56.400 -0.017 0.000 0.873 292 E CB 0.815 30.504 29.700 -0.019 0.000 1.134 292 E HN 0.330 nan 8.360 nan 0.000 0.403 293 P HA -0.130 nan 4.420 nan 0.000 0.215 293 P C -0.249 177.039 177.300 -0.019 0.000 1.157 293 P CA 1.422 64.511 63.100 -0.019 0.000 0.868 293 P CB 0.340 32.027 31.700 -0.020 0.000 0.788 294 E N -1.404 118.783 120.200 -0.022 0.000 2.299 294 E HA 0.552 4.905 4.350 0.004 0.000 0.265 294 E C -0.498 176.090 176.600 -0.020 0.000 0.911 294 E CA -0.945 55.443 56.400 -0.021 0.000 0.789 294 E CB 2.054 31.739 29.700 -0.024 0.000 1.246 294 E HN -0.059 nan 8.360 nan 0.000 0.427 295 A N 0.507 123.317 122.820 -0.017 0.000 2.346 295 A HA 0.438 4.760 4.320 0.004 0.000 0.252 295 A C 1.242 178.818 177.584 -0.013 0.000 1.089 295 A CA 0.461 52.491 52.037 -0.012 0.000 0.797 295 A CB -0.002 18.994 19.000 -0.007 0.000 1.047 295 A HN 0.668 nan 8.150 nan 0.000 0.494 296 G N -0.972 107.822 108.800 -0.009 0.000 2.744 296 G HA2 0.277 4.239 3.960 0.004 0.000 0.211 296 G HA3 0.277 4.239 3.960 0.004 0.000 0.211 296 G C 0.462 175.355 174.900 -0.011 0.000 1.143 296 G CA 0.440 45.532 45.100 -0.012 0.000 0.788 296 G HN 0.719 nan 8.290 nan 0.000 0.534 297 Q N 0.086 119.884 119.800 -0.002 0.000 2.423 297 Q HA 0.326 4.669 4.340 0.004 0.000 0.278 297 Q C -1.479 174.528 176.000 0.011 0.000 1.097 297 Q CA -1.064 54.741 55.803 0.003 0.000 0.809 297 Q CB 1.987 30.744 28.738 0.031 0.000 1.391 297 Q HN 0.022 nan 8.270 nan 0.000 0.428 298 D N 0.654 121.059 120.400 0.008 0.000 2.383 298 D HA 0.364 5.006 4.640 0.004 0.000 0.248 298 D C -0.174 176.178 176.300 0.085 0.000 1.170 298 D CA -0.136 53.877 54.000 0.022 0.000 0.977 298 D CB 0.773 41.572 40.800 -0.003 0.000 1.120 298 D HN 0.623 nan 8.370 nan 0.000 0.481 299 A N 0.375 123.237 122.820 0.070 0.000 2.406 299 A HA 0.007 4.329 4.320 0.004 0.000 0.243 299 A C 0.656 178.380 177.584 0.234 0.000 1.082 299 A CA -0.130 51.956 52.037 0.082 0.000 0.786 299 A CB -0.086 18.924 19.000 0.017 0.000 1.029 299 A HN 0.527 nan 8.150 nan 0.000 0.495 300 Y N 1.109 121.424 120.300 0.026 0.000 2.193 300 Y HA -0.224 4.329 4.550 0.004 0.000 0.285 300 Y C 2.928 178.862 175.900 0.056 0.000 1.166 300 Y CA 1.698 59.821 58.100 0.037 0.000 1.181 300 Y CB -1.374 37.099 38.460 0.023 0.000 0.976 300 Y HN 0.758 nan 8.280 nan 0.000 0.520 301 S N -1.002 114.826 115.700 0.213 0.000 2.493 301 S HA -0.124 4.349 4.470 0.004 0.000 0.243 301 S C 1.804 176.509 174.600 0.176 0.000 0.991 301 S CA 1.194 59.485 58.200 0.153 0.000 0.957 301 S CB -0.571 62.693 63.200 0.107 0.000 0.756 301 S HN 0.471 nan 8.310 nan 0.000 0.521 302 L N -0.385 120.960 121.223 0.203 0.000 2.588 302 L HA 0.354 4.696 4.340 0.004 0.000 0.194 302 L C 2.731 179.814 176.870 0.355 0.000 1.070 302 L CA 0.219 55.227 54.840 0.279 0.000 0.852 302 L CB -0.210 41.944 42.059 0.159 0.000 1.199 302 L HN 0.167 nan 8.230 nan 0.000 0.486 303 R N -0.013 120.613 120.500 0.210 0.000 2.096 303 R HA -0.149 4.194 4.340 0.004 0.000 0.235 303 R C 1.569 177.972 176.300 0.171 0.000 1.127 303 R CA 1.904 58.103 56.100 0.165 0.000 0.968 303 R CB -0.233 30.129 30.300 0.102 0.000 0.861 303 R HN 0.395 nan 8.270 nan 0.000 0.440 304 C N 0.388 119.745 119.300 0.094 0.000 2.614 304 C HA 0.435 4.898 4.460 0.004 0.000 0.299 304 C C 2.119 177.119 174.990 0.016 0.000 1.293 304 C CA -0.379 58.632 59.018 -0.011 0.000 1.713 304 C CB -0.509 27.126 27.740 -0.176 0.000 1.890 304 C HN 0.625 nan 8.230 nan 0.000 0.602 305 A N 2.624 125.500 122.820 0.093 0.000 1.908 305 A HA -0.096 4.227 4.320 0.004 0.000 0.218 305 A C 0.011 177.507 177.584 -0.146 0.000 1.181 305 A CA 1.762 53.788 52.037 -0.018 0.000 0.627 305 A CB -1.485 17.513 19.000 -0.004 0.000 0.818 305 A HN 0.422 nan 8.150 nan 0.000 0.445 306 P HA -0.130 nan 4.420 nan 0.000 0.217 306 P C 1.257 178.474 177.300 -0.139 0.000 1.150 306 P CA 1.377 64.375 63.100 -0.169 0.000 0.832 306 P CB -0.029 31.613 31.700 -0.097 0.000 0.787 307 Q N -0.926 118.817 119.800 -0.096 0.000 2.079 307 Q HA -0.075 4.268 4.340 0.004 0.000 0.200 307 Q C 2.113 178.024 176.000 -0.148 0.000 0.974 307 Q CA 1.228 56.972 55.803 -0.100 0.000 0.840 307 Q CB -1.343 27.347 28.738 -0.081 0.000 0.898 307 Q HN 0.093 nan 8.270 nan 0.000 0.430 308 V N 0.250 120.073 119.914 -0.151 0.000 2.283 308 V HA -0.193 3.929 4.120 0.004 0.000 0.243 308 V C 2.075 178.009 176.094 -0.267 0.000 1.039 308 V CA 1.422 63.621 62.300 -0.168 0.000 1.016 308 V CB -0.588 31.165 31.823 -0.116 0.000 0.650 308 V HN 0.293 nan 8.190 nan 0.000 0.449 309 L N 0.630 121.643 121.223 -0.351 0.000 2.046 309 L HA -0.091 4.251 4.340 0.004 0.000 0.208 309 L C 2.679 178.988 176.870 -0.936 0.000 1.077 309 L CA 1.779 56.211 54.840 -0.681 0.000 0.747 309 L CB -1.244 40.397 42.059 -0.696 0.000 0.896 309 L HN 0.480 nan 8.230 nan 0.000 0.432 310 G N -0.271 108.211 108.800 -0.530 0.000 2.440 310 G HA2 -0.279 3.684 3.960 0.004 0.000 0.218 310 G HA3 -0.279 3.684 3.960 0.004 0.000 0.218 310 G C 1.773 176.563 174.900 -0.183 0.000 1.154 310 G CA 0.887 45.816 45.100 -0.284 0.000 0.767 310 G HN 0.477 nan 8.290 nan 0.000 0.552 311 A N 0.784 123.477 122.820 -0.212 0.000 1.933 311 A HA 0.175 4.497 4.320 0.004 0.000 0.218 311 A C 2.704 180.225 177.584 -0.106 0.000 1.175 311 A CA 2.060 53.994 52.037 -0.171 0.000 0.628 311 A CB -1.002 17.889 19.000 -0.181 0.000 0.814 311 A HN 0.532 nan 8.150 nan 0.000 0.444 312 G N -1.058 107.646 108.800 -0.160 0.000 2.418 312 G HA2 -0.125 3.838 3.960 0.004 0.000 0.217 312 G HA3 -0.125 3.838 3.960 0.004 0.000 0.217 312 G C 1.287 176.283 174.900 0.160 0.000 1.158 312 G CA 1.046 46.108 45.100 -0.064 0.000 0.771 312 G HN 0.377 nan 8.290 nan 0.000 0.545 313 F N 1.754 121.708 119.950 0.007 0.000 2.171 313 F HA 0.026 4.555 4.527 0.004 0.000 0.300 313 F C 2.305 178.130 175.800 0.041 0.000 1.090 313 F CA 0.436 58.452 58.000 0.027 0.000 1.293 313 F CB -0.634 38.375 39.000 0.015 0.000 1.013 313 F HN 0.124 nan 8.300 nan 0.000 0.486 314 D N -0.637 119.891 120.400 0.213 0.000 2.183 314 D HA -0.096 4.546 4.640 0.004 0.000 0.203 314 D C 2.213 178.622 176.300 0.181 0.000 0.969 314 D CA 1.371 55.462 54.000 0.152 0.000 0.842 314 D CB -0.388 40.451 40.800 0.064 0.000 0.957 314 D HN 0.202 nan 8.370 nan 0.000 0.484 315 T N 1.262 115.916 114.554 0.167 0.000 2.737 315 T HA -0.116 4.236 4.350 0.004 0.000 0.265 315 T C 1.926 176.797 174.700 0.285 0.000 1.038 315 T CA 0.408 62.648 62.100 0.232 0.000 1.144 315 T CB -0.241 68.717 68.868 0.149 0.000 0.866 315 T HN 0.042 nan 8.240 nan 0.000 0.434 316 L N 1.540 122.888 121.223 0.208 0.000 2.083 316 L HA 0.074 4.417 4.340 0.004 0.000 0.209 316 L C 2.571 179.557 176.870 0.195 0.000 1.083 316 L CA 1.797 56.733 54.840 0.160 0.000 0.752 316 L CB -1.009 41.126 42.059 0.126 0.000 0.899 316 L HN 0.218 nan 8.230 nan 0.000 0.433 317 A N -1.144 121.793 122.820 0.195 0.000 1.902 317 A HA -0.281 4.041 4.320 0.004 0.000 0.217 317 A C 2.126 179.851 177.584 0.235 0.000 1.181 317 A CA 1.790 53.932 52.037 0.175 0.000 0.623 317 A CB -1.462 17.632 19.000 0.157 0.000 0.818 317 A HN 0.746 nan 8.150 nan 0.000 0.443 318 W N 0.389 121.747 121.300 0.097 0.000 2.355 318 W HA -0.191 4.471 4.660 0.004 0.000 0.309 318 W C 2.267 178.853 176.519 0.112 0.000 1.206 318 W CA 1.976 59.373 57.345 0.088 0.000 1.284 318 W CB -0.812 28.694 29.460 0.076 0.000 1.145 318 W HN 0.626 nan 8.180 nan 0.000 0.502 319 H N 0.291 119.305 119.070 -0.092 0.000 2.289 319 H HA -0.198 4.360 4.556 0.004 0.000 0.294 319 H C 1.468 176.678 175.328 -0.196 0.000 1.095 319 H CA 2.554 58.439 56.048 -0.272 0.000 1.256 319 H CB -0.616 29.101 29.762 -0.076 0.000 1.359 319 H HN 0.071 nan 8.280 nan 0.000 0.487 320 D N 0.245 120.702 120.400 0.095 0.000 2.144 320 D HA -0.090 4.553 4.640 0.004 0.000 0.199 320 D C 2.623 178.894 176.300 -0.049 0.000 0.984 320 D CA 0.655 54.679 54.000 0.039 0.000 0.834 320 D CB -0.273 40.589 40.800 0.103 0.000 0.955 320 D HN 0.399 nan 8.370 nan 0.000 0.465 321 R N 0.280 120.760 120.500 -0.033 0.000 2.073 321 R HA -0.063 4.280 4.340 0.004 0.000 0.234 321 R C 2.347 178.590 176.300 -0.095 0.000 1.134 321 R CA 0.727 56.816 56.100 -0.019 0.000 0.952 321 R CB -0.439 29.898 30.300 0.060 0.000 0.850 321 R HN 0.101 nan 8.270 nan 0.000 0.433 322 V N 1.375 121.150 119.914 -0.231 0.000 2.307 322 V HA -0.223 3.900 4.120 0.004 0.000 0.245 322 V C 2.221 178.169 176.094 -0.242 0.000 1.045 322 V CA 1.447 63.588 62.300 -0.265 0.000 1.024 322 V CB -0.424 31.121 31.823 -0.463 0.000 0.651 322 V HN 0.236 nan 8.190 nan 0.000 0.449 323 L N -0.049 120.990 121.223 -0.306 0.000 2.083 323 L HA -0.147 4.196 4.340 0.004 0.000 0.209 323 L C 2.428 179.214 176.870 -0.141 0.000 1.083 323 L CA 2.359 57.046 54.840 -0.255 0.000 0.752 323 L CB -0.924 40.939 42.059 -0.327 0.000 0.899 323 L HN 0.338 nan 8.230 nan 0.000 0.433 324 T N -0.194 114.302 114.554 -0.096 0.000 2.746 324 T HA -0.151 4.202 4.350 0.004 0.000 0.267 324 T C 1.958 176.641 174.700 -0.028 0.000 1.039 324 T CA 1.971 64.048 62.100 -0.039 0.000 1.142 324 T CB -0.281 68.605 68.868 0.032 0.000 0.866 324 T HN 0.318 nan 8.240 nan 0.000 0.444 325 I N 0.641 121.183 120.570 -0.047 0.000 2.202 325 I HA -0.143 4.030 4.170 0.004 0.000 0.242 325 I C 2.718 178.783 176.117 -0.087 0.000 1.091 325 I CA 1.283 62.551 61.300 -0.053 0.000 1.368 325 I CB -0.277 37.669 38.000 -0.090 0.000 1.058 325 I HN 0.214 nan 8.210 nan 0.000 0.410 326 E N 1.265 121.392 120.200 -0.122 0.000 2.051 326 E HA -0.260 4.093 4.350 0.004 0.000 0.192 326 E C 2.043 178.592 176.600 -0.085 0.000 0.991 326 E CA 1.260 57.589 56.400 -0.117 0.000 0.799 326 E CB -0.269 29.357 29.700 -0.125 0.000 0.748 326 E HN 0.302 nan 8.360 nan 0.000 0.449 327 L N 0.982 122.154 121.223 -0.086 0.000 2.079 327 L HA -0.105 4.237 4.340 0.004 0.000 0.210 327 L C 1.155 177.978 176.870 -0.078 0.000 1.081 327 L CA 1.808 56.600 54.840 -0.080 0.000 0.752 327 L CB -0.390 41.614 42.059 -0.091 0.000 0.896 327 L HN 0.152 nan 8.230 nan 0.000 0.433 328 N N -0.138 118.519 118.700 -0.073 0.000 2.268 328 N HA 0.211 4.953 4.740 0.004 0.000 0.204 328 N C 0.261 175.756 175.510 -0.025 0.000 1.124 328 N CA 0.613 53.633 53.050 -0.049 0.000 0.838 328 N CB 0.286 38.769 38.487 -0.007 0.000 0.994 328 N HN 0.421 nan 8.380 nan 0.000 0.489 329 A N 0.176 122.971 122.820 -0.042 0.000 2.261 329 A HA 0.607 4.930 4.320 0.004 0.000 0.323 329 A C -0.043 177.519 177.584 -0.038 0.000 1.107 329 A CA -0.404 51.606 52.037 -0.044 0.000 0.883 329 A CB 1.064 20.022 19.000 -0.069 0.000 1.251 329 A HN -0.039 nan 8.150 nan 0.000 0.502 330 V N 1.322 121.213 119.914 -0.039 0.000 2.311 330 V HA 0.286 4.409 4.120 0.004 0.000 0.275 330 V C 0.850 176.920 176.094 -0.039 0.000 1.022 330 V CA 0.365 62.647 62.300 -0.031 0.000 0.830 330 V CB 0.556 32.361 31.823 -0.029 0.000 1.012 330 V HN 1.022 nan 8.190 nan 0.000 0.452 331 T N -0.755 113.785 114.554 -0.023 0.000 3.206 331 T HA 0.197 4.550 4.350 0.004 0.000 0.253 331 T C 0.147 174.867 174.700 0.033 0.000 1.042 331 T CA -0.524 61.569 62.100 -0.011 0.000 0.931 331 T CB -0.417 68.455 68.868 0.007 0.000 1.029 331 T HN 0.535 nan 8.240 nan 0.000 0.564 332 D N 2.446 122.855 120.400 0.014 0.000 2.339 332 D HA 0.500 5.143 4.640 0.004 0.000 0.245 332 D C -0.103 176.209 176.300 0.020 0.000 1.115 332 D CA 0.025 54.045 54.000 0.034 0.000 0.917 332 D CB 0.560 41.360 40.800 -0.000 0.000 1.192 332 D HN 0.352 nan 8.370 nan 0.000 0.428 333 N N 0.294 119.040 118.700 0.077 0.000 2.503 333 N HA 0.294 5.037 4.740 0.004 0.000 0.287 333 N C -2.923 172.620 175.510 0.054 0.000 1.096 333 N CA -1.367 51.707 53.050 0.039 0.000 0.936 333 N CB 1.876 40.516 38.487 0.255 0.000 1.570 333 N HN 0.027 nan 8.380 nan 0.000 0.504 334 P HA 0.309 nan 4.420 nan 0.000 0.279 334 P C -0.894 176.073 177.300 -0.556 0.000 1.282 334 P CA -0.438 62.389 63.100 -0.456 0.000 0.788 334 P CB 0.937 32.176 31.700 -0.769 0.000 1.139 335 V N -3.795 115.713 119.914 -0.677 0.000 3.040 335 V HA 0.635 4.757 4.120 0.004 0.000 0.312 335 V C -1.021 174.595 176.094 -0.797 0.000 1.115 335 V CA -0.937 60.987 62.300 -0.627 0.000 0.998 335 V CB 1.652 33.312 31.823 -0.271 0.000 1.042 335 V HN 0.225 nan 8.190 nan 0.000 0.433 336 F N 1.868 121.805 119.950 -0.022 0.000 2.366 336 F HA 0.622 5.152 4.527 0.005 0.000 0.366 336 F C -2.436 173.360 175.800 -0.007 0.000 1.096 336 F CA -2.591 55.403 58.000 -0.010 0.000 1.060 336 F CB 1.313 40.313 39.000 0.000 0.000 1.282 336 F HN 0.290 nan 8.300 nan 0.000 0.450 337 P HA 0.007 nan 4.420 nan 0.000 0.260 337 P C -1.986 175.358 177.300 0.074 0.000 1.185 337 P CA -0.620 62.517 63.100 0.060 0.000 0.763 337 P CB 0.477 32.201 31.700 0.039 0.000 0.776 338 P HA -0.201 nan 4.420 nan 0.000 0.216 338 P C 0.930 178.251 177.300 0.036 0.000 1.150 338 P CA 1.443 64.570 63.100 0.046 0.000 0.837 338 P CB -0.132 31.588 31.700 0.033 0.000 0.786 339 D N -1.452 118.966 120.400 0.030 0.000 2.310 339 D HA -0.026 4.617 4.640 0.004 0.000 0.212 339 D C 1.425 177.741 176.300 0.028 0.000 0.965 339 D CA 1.165 55.179 54.000 0.024 0.000 0.879 339 D CB -1.272 39.539 40.800 0.018 0.000 0.921 339 D HN 0.222 nan 8.370 nan 0.000 0.510 340 G N -0.173 108.650 108.800 0.039 0.000 2.143 340 G HA2 -0.358 3.605 3.960 0.004 0.000 0.248 340 G HA3 -0.358 3.605 3.960 0.004 0.000 0.248 340 G C 1.183 176.107 174.900 0.039 0.000 0.991 340 G CA 1.060 46.185 45.100 0.043 0.000 0.689 340 G HN 0.649 nan 8.290 nan 0.000 0.522 341 S N -1.487 114.234 115.700 0.035 0.000 2.370 341 S HA 0.198 4.670 4.470 0.004 0.000 0.226 341 S C 1.219 175.840 174.600 0.036 0.000 1.033 341 S CA 1.917 60.134 58.200 0.029 0.000 1.011 341 S CB -0.364 62.850 63.200 0.022 0.000 0.852 341 S HN 2.041 nan 8.310 nan 0.000 0.457 342 V N -3.543 116.400 119.914 0.047 0.000 3.078 342 V HA 0.561 4.683 4.120 0.004 0.000 0.311 342 V C -2.535 173.612 176.094 0.088 0.000 1.138 342 V CA -2.169 60.166 62.300 0.059 0.000 1.007 342 V CB 1.200 33.054 31.823 0.051 0.000 1.045 342 V HN -0.131 nan 8.190 nan 0.000 0.432 343 P HA 0.214 nan 4.420 nan 0.000 0.216 343 P C 0.292 177.742 177.300 0.250 0.000 1.150 343 P CA 2.166 65.360 63.100 0.157 0.000 0.837 343 P CB 0.170 31.957 31.700 0.145 0.000 0.786 344 A N -2.121 120.800 122.820 0.168 0.000 2.586 344 A HA 0.637 4.960 4.320 0.004 0.000 0.291 344 A C -1.966 175.608 177.584 -0.016 0.000 1.062 344 A CA -0.544 51.523 52.037 0.051 0.000 0.666 344 A CB 0.405 19.428 19.000 0.039 0.000 1.281 344 A HN -0.058 nan 8.150 nan 0.000 0.421 345 L N 0.942 122.064 121.223 -0.169 0.000 2.381 345 L HA 0.594 4.936 4.340 0.004 0.000 0.268 345 L C -1.170 175.561 176.870 -0.231 0.000 0.997 345 L CA -0.682 54.099 54.840 -0.098 0.000 0.818 345 L CB 2.318 44.321 42.059 -0.093 0.000 1.310 345 L HN 0.872 nan 8.230 nan 0.000 0.416 346 H N 1.141 120.151 119.070 -0.099 0.000 2.505 346 H HA 0.746 5.304 4.556 0.004 0.000 0.338 346 H C 0.148 175.414 175.328 -0.103 0.000 1.057 346 H CA -0.127 55.861 56.048 -0.099 0.000 1.202 346 H CB 2.007 31.714 29.762 -0.092 0.000 1.466 346 H HN 0.747 nan 8.280 nan 0.000 0.499 347 G N 0.666 109.441 108.800 -0.043 0.000 2.793 347 G HA2 0.450 4.413 3.960 0.004 0.000 0.248 347 G HA3 0.450 4.413 3.960 0.004 0.000 0.248 347 G C -0.353 174.389 174.900 -0.263 0.000 1.198 347 G CA -0.303 44.727 45.100 -0.117 0.000 0.865 347 G HN 0.670 nan 8.290 nan 0.000 0.534 348 G N 0.070 108.593 108.800 -0.461 0.000 4.864 348 G HA2 0.303 4.266 3.960 0.004 0.000 0.280 348 G HA3 0.303 4.266 3.960 0.004 0.000 0.280 348 G C 0.194 174.498 174.900 -0.993 0.000 1.239 348 G CA -0.167 44.276 45.100 -1.095 0.000 0.951 348 G HN 0.262 nan 8.290 nan 0.000 0.583 349 N N 0.841 119.167 118.700 -0.623 0.000 2.609 349 N HA -0.036 4.706 4.740 0.004 0.000 0.190 349 N C 1.487 176.848 175.510 -0.248 0.000 1.157 349 N CA 0.293 53.140 53.050 -0.337 0.000 0.918 349 N CB -0.122 38.253 38.487 -0.187 0.000 0.978 349 N HN 0.628 nan 8.380 nan 0.000 0.448 350 F N -1.228 118.705 119.950 -0.029 0.000 2.789 350 F HA 0.331 4.861 4.527 0.004 0.000 0.300 350 F C 0.810 176.608 175.800 -0.004 0.000 1.132 350 F CA -0.779 57.210 58.000 -0.019 0.000 1.404 350 F CB -0.725 38.264 39.000 -0.018 0.000 1.114 350 F HN -0.165 nan 8.300 nan 0.000 0.584 351 M N 2.723 122.328 119.600 0.009 0.000 2.350 351 M HA 0.364 4.847 4.480 0.004 0.000 0.338 351 M C 0.936 177.288 176.300 0.086 0.000 1.559 351 M CA -0.542 54.825 55.300 0.113 0.000 1.217 351 M CB 0.164 32.754 32.600 -0.016 0.000 1.808 351 M HN 0.233 nan 8.290 nan 0.000 0.458 352 G N 3.467 112.333 108.800 0.109 0.000 3.471 352 G HA2 0.046 4.009 3.960 0.004 0.000 0.254 352 G HA3 0.046 4.009 3.960 0.004 0.000 0.254 352 G C 0.655 175.595 174.900 0.066 0.000 1.199 352 G CA -0.207 44.941 45.100 0.080 0.000 1.683 352 G HN 0.816 nan 8.290 nan 0.000 0.625 353 Q N -0.076 119.762 119.800 0.063 0.000 2.224 353 Q HA -0.086 4.256 4.340 0.004 0.000 0.203 353 Q C 1.898 177.872 176.000 -0.043 0.000 0.970 353 Q CA 1.419 57.225 55.803 0.006 0.000 0.865 353 Q CB -0.099 28.622 28.738 -0.028 0.000 0.922 353 Q HN 0.721 nan 8.270 nan 0.000 0.445 354 H N -1.756 117.293 119.070 -0.035 0.000 2.299 354 H HA -0.056 4.503 4.556 0.005 0.000 0.302 354 H C 1.784 177.032 175.328 -0.133 0.000 1.078 354 H CA 1.798 57.799 56.048 -0.079 0.000 1.323 354 H CB -0.013 29.689 29.762 -0.099 0.000 1.381 354 H HN 0.068 nan 8.280 nan 0.000 0.498 355 V N 0.538 120.458 119.914 0.010 0.000 2.515 355 V HA -0.207 3.916 4.120 0.004 0.000 0.250 355 V C 2.459 178.539 176.094 -0.024 0.000 1.058 355 V CA 1.360 63.623 62.300 -0.061 0.000 1.064 355 V CB -0.886 30.913 31.823 -0.040 0.000 0.675 355 V HN 0.561 nan 8.190 nan 0.000 0.461 356 A N -0.011 122.810 122.820 0.002 0.000 1.877 356 A HA -0.134 4.188 4.320 0.004 0.000 0.216 356 A C 2.194 179.792 177.584 0.023 0.000 1.186 356 A CA 1.689 53.739 52.037 0.021 0.000 0.620 356 A CB -0.463 18.552 19.000 0.025 0.000 0.822 356 A HN 0.487 nan 8.150 nan 0.000 0.443 357 L N -0.127 121.099 121.223 0.006 0.000 2.109 357 L HA -0.128 4.215 4.340 0.004 0.000 0.207 357 L C 2.942 179.860 176.870 0.081 0.000 1.086 357 L CA 1.718 56.591 54.840 0.055 0.000 0.760 357 L CB -0.811 41.291 42.059 0.072 0.000 0.910 357 L HN 0.651 nan 8.230 nan 0.000 0.437 358 T N -4.539 109.965 114.554 -0.084 0.000 2.904 358 T HA -0.077 4.275 4.350 0.004 0.000 0.267 358 T C 2.017 176.796 174.700 0.132 0.000 1.059 358 T CA 1.173 63.173 62.100 -0.168 0.000 1.137 358 T CB -0.206 68.340 68.868 -0.536 0.000 0.879 358 T HN 0.123 nan 8.240 nan 0.000 0.467 359 S N 1.738 117.512 115.700 0.123 0.000 2.368 359 S HA -0.095 4.377 4.470 0.004 0.000 0.224 359 S C 1.849 176.514 174.600 0.109 0.000 1.029 359 S CA 1.175 59.470 58.200 0.158 0.000 0.988 359 S CB -0.527 62.742 63.200 0.115 0.000 0.838 359 S HN 0.497 nan 8.310 nan 0.000 0.462 360 D N 1.685 122.143 120.400 0.096 0.000 2.144 360 D HA -0.010 4.633 4.640 0.004 0.000 0.199 360 D C 2.105 178.462 176.300 0.094 0.000 0.984 360 D CA 1.207 55.256 54.000 0.082 0.000 0.834 360 D CB -0.387 40.455 40.800 0.071 0.000 0.955 360 D HN 0.379 nan 8.370 nan 0.000 0.465 361 A N 0.617 123.527 122.820 0.151 0.000 1.898 361 A HA -0.119 4.203 4.320 0.004 0.000 0.216 361 A C 2.132 179.792 177.584 0.127 0.000 1.181 361 A CA 0.869 53.014 52.037 0.180 0.000 0.620 361 A CB -0.650 18.579 19.000 0.382 0.000 0.819 361 A HN 0.242 nan 8.150 nan 0.000 0.442 362 L N -0.167 121.128 121.223 0.120 0.000 2.083 362 L HA -0.027 4.316 4.340 0.004 0.000 0.209 362 L C 2.627 179.494 176.870 -0.005 0.000 1.083 362 L CA 2.010 56.870 54.840 0.032 0.000 0.752 362 L CB -0.849 41.160 42.059 -0.084 0.000 0.899 362 L HN 0.347 nan 8.230 nan 0.000 0.433 363 A N -1.487 121.343 122.820 0.017 0.000 1.883 363 A HA -0.226 4.096 4.320 0.004 0.000 0.217 363 A C 2.273 179.840 177.584 -0.029 0.000 1.186 363 A CA 2.414 54.453 52.037 0.003 0.000 0.624 363 A CB -1.237 17.779 19.000 0.028 0.000 0.822 363 A HN 0.500 nan 8.150 nan 0.000 0.444 364 T N 0.226 114.771 114.554 -0.014 0.000 2.746 364 T HA -0.007 4.345 4.350 0.004 0.000 0.267 364 T C 2.224 176.873 174.700 -0.084 0.000 1.039 364 T CA 1.582 63.660 62.100 -0.037 0.000 1.142 364 T CB -0.463 68.397 68.868 -0.013 0.000 0.866 364 T HN 0.609 nan 8.240 nan 0.000 0.444 365 A N 0.989 123.762 122.820 -0.078 0.000 1.902 365 A HA -0.057 4.265 4.320 0.004 0.000 0.217 365 A C 2.583 180.006 177.584 -0.269 0.000 1.181 365 A CA 1.379 53.338 52.037 -0.130 0.000 0.623 365 A CB -1.038 17.922 19.000 -0.067 0.000 0.818 365 A HN 0.354 nan 8.150 nan 0.000 0.443 366 V N -0.206 119.539 119.914 -0.281 0.000 2.343 366 V HA -0.228 3.895 4.120 0.004 0.000 0.247 366 V C 2.733 178.514 176.094 -0.522 0.000 1.051 366 V CA 2.459 64.448 62.300 -0.519 0.000 1.036 366 V CB -1.233 30.459 31.823 -0.218 0.000 0.654 366 V HN 0.619 nan 8.190 nan 0.000 0.451 367 T N -0.201 114.191 114.554 -0.271 0.000 2.746 367 T HA -0.151 4.202 4.350 0.004 0.000 0.267 367 T C 1.951 176.516 174.700 -0.224 0.000 1.039 367 T CA 1.547 63.527 62.100 -0.200 0.000 1.142 367 T CB -0.187 68.620 68.868 -0.103 0.000 0.866 367 T HN 0.278 nan 8.240 nan 0.000 0.444 368 V N 1.207 120.988 119.914 -0.222 0.000 2.295 368 V HA -0.107 4.016 4.120 0.004 0.000 0.246 368 V C 2.422 178.369 176.094 -0.245 0.000 1.049 368 V CA 1.350 63.537 62.300 -0.188 0.000 1.024 368 V CB -0.569 31.159 31.823 -0.158 0.000 0.648 368 V HN 0.314 nan 8.190 nan 0.000 0.447 369 L N 0.312 121.293 121.223 -0.403 0.000 2.083 369 L HA -0.072 4.271 4.340 0.004 0.000 0.209 369 L C 2.549 179.172 176.870 -0.412 0.000 1.083 369 L CA 2.122 56.697 54.840 -0.441 0.000 0.752 369 L CB -1.196 40.447 42.059 -0.695 0.000 0.899 369 L HN 0.293 nan 8.230 nan 0.000 0.433 370 A N -0.636 121.816 122.820 -0.614 0.000 1.969 370 A HA -0.068 4.255 4.320 0.004 0.000 0.218 370 A C 2.425 179.971 177.584 -0.064 0.000 1.169 370 A CA 1.505 53.378 52.037 -0.273 0.000 0.635 370 A CB -1.225 17.647 19.000 -0.213 0.000 0.810 370 A HN 0.428 nan 8.150 nan 0.000 0.445 371 G N -0.043 108.695 108.800 -0.102 0.000 2.418 371 G HA2 -0.139 3.824 3.960 0.004 0.000 0.217 371 G HA3 -0.139 3.824 3.960 0.004 0.000 0.217 371 G C 1.483 176.379 174.900 -0.006 0.000 1.158 371 G CA 1.183 46.259 45.100 -0.040 0.000 0.771 371 G HN 0.513 nan 8.290 nan 0.000 0.545 372 L N 1.474 122.686 121.223 -0.017 0.000 2.012 372 L HA 0.098 4.440 4.340 0.004 0.000 0.210 372 L C 3.035 179.944 176.870 0.064 0.000 1.073 372 L CA 2.400 57.254 54.840 0.022 0.000 0.748 372 L CB -0.812 41.252 42.059 0.008 0.000 0.891 372 L HN 0.223 nan 8.230 nan 0.000 0.431 373 A N -0.890 121.991 122.820 0.102 0.000 1.902 373 A HA -0.234 4.088 4.320 0.004 0.000 0.217 373 A C 2.325 179.966 177.584 0.095 0.000 1.181 373 A CA 1.739 53.857 52.037 0.136 0.000 0.623 373 A CB -0.791 18.351 19.000 0.237 0.000 0.818 373 A HN 0.610 nan 8.150 nan 0.000 0.443 374 E N 0.029 120.277 120.200 0.080 0.000 2.077 374 E HA -0.202 4.151 4.350 0.004 0.000 0.193 374 E C 2.052 178.684 176.600 0.052 0.000 0.989 374 E CA 0.948 57.385 56.400 0.062 0.000 0.800 374 E CB -0.236 29.494 29.700 0.049 0.000 0.746 374 E HN 0.374 nan 8.360 nan 0.000 0.452 375 R N 0.359 120.887 120.500 0.047 0.000 2.148 375 R HA -0.040 4.302 4.340 0.004 0.000 0.227 375 R C 2.348 178.676 176.300 0.046 0.000 1.103 375 R CA 0.784 56.909 56.100 0.043 0.000 0.983 375 R CB -0.349 29.974 30.300 0.039 0.000 0.874 375 R HN 0.414 nan 8.270 nan 0.000 0.451 376 Q N -0.077 119.756 119.800 0.056 0.000 2.123 376 Q HA -0.011 4.331 4.340 0.004 0.000 0.199 376 Q C 2.149 178.171 176.000 0.038 0.000 0.966 376 Q CA 1.002 56.839 55.803 0.056 0.000 0.845 376 Q CB -0.020 28.762 28.738 0.073 0.000 0.907 376 Q HN 0.307 nan 8.270 nan 0.000 0.439 377 I N 0.572 121.164 120.570 0.037 0.000 2.202 377 I HA -0.240 3.933 4.170 0.004 0.000 0.242 377 I C 2.414 178.555 176.117 0.039 0.000 1.091 377 I CA 0.902 62.217 61.300 0.025 0.000 1.368 377 I CB -0.398 37.622 38.000 0.033 0.000 1.058 377 I HN 0.137 nan 8.210 nan 0.000 0.410 378 A N 0.810 123.660 122.820 0.050 0.000 1.978 378 A HA -0.253 4.070 4.320 0.004 0.000 0.220 378 A C 2.426 180.023 177.584 0.023 0.000 1.170 378 A CA 1.941 54.011 52.037 0.055 0.000 0.636 378 A CB -0.629 18.402 19.000 0.052 0.000 0.810 378 A HN 0.406 nan 8.150 nan 0.000 0.448 379 R N -0.929 119.580 120.500 0.014 0.000 2.062 379 R HA -0.014 4.329 4.340 0.004 0.000 0.226 379 R C 2.041 178.328 176.300 -0.022 0.000 1.125 379 R CA 1.369 57.467 56.100 -0.004 0.000 0.966 379 R CB -0.440 29.866 30.300 0.009 0.000 0.861 379 R HN 0.381 nan 8.270 nan 0.000 0.433 380 L N 1.287 122.501 121.223 -0.014 0.000 2.079 380 L HA -0.119 4.224 4.340 0.004 0.000 0.210 380 L C 1.973 178.810 176.870 -0.054 0.000 1.081 380 L CA 2.485 57.308 54.840 -0.029 0.000 0.752 380 L CB -0.510 41.533 42.059 -0.026 0.000 0.896 380 L HN 0.473 nan 8.230 nan 0.000 0.433 381 T N -4.196 110.325 114.554 -0.054 0.000 3.129 381 T HA 0.027 4.380 4.350 0.004 0.000 0.251 381 T C 0.722 175.199 174.700 -0.372 0.000 1.117 381 T CA -0.072 61.962 62.100 -0.111 0.000 1.034 381 T CB -0.481 68.441 68.868 0.089 0.000 0.968 381 T HN 0.268 nan 8.240 nan 0.000 0.526 382 D N 2.625 122.879 120.400 -0.243 0.000 2.347 382 D HA 0.074 4.717 4.640 0.004 0.000 0.235 382 D C 1.338 177.513 176.300 -0.207 0.000 1.149 382 D CA -0.330 53.509 54.000 -0.269 0.000 0.850 382 D CB 1.233 41.960 40.800 -0.122 0.000 1.061 382 D HN 0.609 nan 8.370 nan 0.000 0.487 383 E N 3.309 123.362 120.200 -0.245 0.000 2.267 383 E HA -0.222 4.131 4.350 0.004 0.000 0.197 383 E C 1.026 177.578 176.600 -0.080 0.000 0.998 383 E CA 0.861 57.180 56.400 -0.134 0.000 0.830 383 E CB 0.056 29.693 29.700 -0.105 0.000 0.751 383 E HN 0.378 nan 8.360 nan 0.000 0.491 384 R N -0.034 120.420 120.500 -0.076 0.000 2.275 384 R HA 0.177 4.520 4.340 0.004 0.000 0.199 384 R C 1.724 177.998 176.300 -0.043 0.000 0.989 384 R CA 0.534 56.606 56.100 -0.047 0.000 1.016 384 R CB 0.192 30.470 30.300 -0.036 0.000 0.918 384 R HN 0.274 nan 8.270 nan 0.000 0.473 385 L N 0.062 121.253 121.223 -0.052 0.000 2.878 385 L HA 0.114 4.457 4.340 0.004 0.000 0.253 385 L C 0.650 177.497 176.870 -0.039 0.000 1.135 385 L CA -0.112 54.704 54.840 -0.041 0.000 0.943 385 L CB 0.207 42.244 42.059 -0.037 0.000 1.307 385 L HN 0.116 nan 8.230 nan 0.000 0.545 386 N N 1.014 119.684 118.700 -0.050 0.000 2.362 386 N HA -0.052 4.691 4.740 0.004 0.000 0.204 386 N C 0.014 175.505 175.510 -0.031 0.000 1.166 386 N CA -0.269 52.756 53.050 -0.041 0.000 0.831 386 N CB -0.199 38.255 38.487 -0.055 0.000 1.008 386 N HN 0.091 nan 8.380 nan 0.000 0.472 387 R N -0.499 119.984 120.500 -0.029 0.000 3.188 387 R HA -0.165 4.177 4.340 0.004 0.000 0.247 387 R C 0.805 177.093 176.300 -0.020 0.000 0.918 387 R CA 0.455 56.541 56.100 -0.023 0.000 0.629 387 R CB -2.182 28.106 30.300 -0.020 0.000 1.087 387 R HN 0.601 nan 8.270 nan 0.000 0.462 388 G N -0.975 107.812 108.800 -0.021 0.000 2.194 388 G HA2 -0.300 3.663 3.960 0.004 0.000 0.236 388 G HA3 -0.300 3.663 3.960 0.004 0.000 0.236 388 G C 0.274 175.164 174.900 -0.017 0.000 0.987 388 G CA 0.049 45.139 45.100 -0.016 0.000 0.635 388 G HN 0.263 nan 8.290 nan 0.000 0.520 389 L N 1.629 122.839 121.223 -0.023 0.000 2.453 389 L HA 0.423 4.766 4.340 0.004 0.000 0.261 389 L C -1.630 175.226 176.870 -0.024 0.000 1.179 389 L CA -1.988 52.837 54.840 -0.024 0.000 0.813 389 L CB 0.607 42.651 42.059 -0.025 0.000 1.110 389 L HN -0.077 nan 8.230 nan 0.000 0.466 390 P HA 0.062 nan 4.420 nan 0.000 0.269 390 P C -2.482 174.855 177.300 0.062 0.000 1.209 390 P CA -1.001 62.104 63.100 0.009 0.000 0.776 390 P CB -0.149 31.443 31.700 -0.179 0.000 0.876 391 P HA -0.020 nan 4.420 nan 0.000 0.262 391 P C -0.267 177.093 177.300 0.100 0.000 1.199 391 P CA 0.394 63.455 63.100 -0.065 0.000 0.763 391 P CB -0.207 31.503 31.700 0.016 0.000 0.790 392 F N 1.666 121.717 119.950 0.168 0.000 3.034 392 F HA -0.242 4.288 4.527 0.004 0.000 0.286 392 F C 1.291 177.269 175.800 0.298 0.000 0.804 392 F CA 0.356 58.480 58.000 0.206 0.000 1.161 392 F CB -2.646 36.463 39.000 0.182 0.000 1.317 392 F HN 0.269 nan 8.300 nan 0.000 0.453 393 L N -1.613 119.775 121.223 0.275 0.000 3.737 393 L HA -0.314 4.029 4.340 0.004 0.000 0.418 393 L C 1.313 178.336 176.870 0.254 0.000 1.216 393 L CA 1.037 56.017 54.840 0.233 0.000 0.915 393 L CB -1.983 40.230 42.059 0.256 0.000 1.834 393 L HN 0.686 nan 8.230 nan 0.000 0.943 394 H N 0.415 119.605 119.070 0.200 0.000 2.603 394 H HA 0.676 5.235 4.556 0.004 0.000 0.370 394 H C 0.283 175.664 175.328 0.088 0.000 1.225 394 H CA -0.463 55.660 56.048 0.126 0.000 1.410 394 H CB 0.892 30.720 29.762 0.111 0.000 1.495 394 H HN 0.305 nan 8.280 nan 0.000 0.602 395 R N -0.158 120.342 120.500 -0.001 0.000 2.888 395 R HA 0.485 4.828 4.340 0.004 0.000 0.266 395 R C -0.299 176.083 176.300 0.137 0.000 1.020 395 R CA -0.267 55.808 56.100 -0.042 0.000 0.963 395 R CB 2.104 32.402 30.300 -0.002 0.000 1.197 395 R HN 1.101 nan 8.270 nan 0.000 0.481 396 G N 1.330 110.189 108.800 0.098 0.000 2.760 396 G HA2 -0.181 3.782 3.960 0.004 0.000 0.246 396 G HA3 -0.181 3.782 3.960 0.004 0.000 0.246 396 G C -2.760 172.258 174.900 0.198 0.000 1.359 396 G CA -1.222 43.951 45.100 0.121 0.000 0.861 396 G HN 0.384 nan 8.290 nan 0.000 0.541 397 P HA 0.479 nan 4.420 nan 0.000 0.267 397 P C 0.342 177.675 177.300 0.055 0.000 1.205 397 P CA 0.743 63.907 63.100 0.106 0.000 0.765 397 P CB 0.862 32.591 31.700 0.048 0.000 0.828 398 A N 3.206 126.042 122.820 0.026 0.000 2.462 398 A HA 0.496 4.819 4.320 0.004 0.000 0.243 398 A C 1.503 178.988 177.584 -0.165 0.000 1.076 398 A CA 0.874 52.735 52.037 -0.294 0.000 0.773 398 A CB -0.939 17.981 19.000 -0.133 0.000 1.010 398 A HN 0.803 nan 8.150 nan 0.000 0.493 399 G N 0.573 109.255 108.800 -0.197 0.000 3.586 399 G HA2 -0.286 3.677 3.960 0.004 0.000 0.212 399 G HA3 -0.286 3.677 3.960 0.004 0.000 0.212 399 G C 1.112 175.963 174.900 -0.081 0.000 1.411 399 G CA 0.390 45.432 45.100 -0.096 0.000 0.898 399 G HN 0.829 nan 8.290 nan 0.000 0.575 400 L N 1.128 122.314 121.223 -0.062 0.000 2.083 400 L HA 0.095 4.437 4.340 0.004 0.000 0.209 400 L C 0.911 177.753 176.870 -0.046 0.000 1.083 400 L CA 1.118 55.934 54.840 -0.039 0.000 0.752 400 L CB -0.332 41.717 42.059 -0.016 0.000 0.899 400 L HN 0.323 nan 8.230 nan 0.000 0.433 401 N N -1.280 117.380 118.700 -0.068 0.000 2.361 401 N HA 0.203 4.945 4.740 0.004 0.000 0.302 401 N C 0.039 175.485 175.510 -0.108 0.000 1.074 401 N CA -0.097 52.925 53.050 -0.046 0.000 0.850 401 N CB 2.067 40.591 38.487 0.061 0.000 1.228 401 N HN -0.188 nan 8.380 nan 0.000 0.491 402 S N 0.001 115.673 115.700 -0.048 0.000 2.603 402 S HA 0.257 4.730 4.470 0.004 0.000 0.232 402 S C 1.233 175.874 174.600 0.068 0.000 1.016 402 S CA 0.036 58.216 58.200 -0.034 0.000 0.976 402 S CB 0.511 63.642 63.200 -0.114 0.000 0.921 402 S HN 0.917 nan 8.310 nan 0.000 0.516 403 G N 2.466 111.302 108.800 0.060 0.000 2.634 403 G HA2 -0.348 3.614 3.960 0.004 0.000 0.318 403 G HA3 -0.348 3.614 3.960 0.004 0.000 0.318 403 G C 0.253 175.057 174.900 -0.160 0.000 1.207 403 G CA 0.844 45.943 45.100 -0.002 0.000 0.987 403 G HN 0.461 nan 8.290 nan 0.000 0.547 404 F N 1.382 121.421 119.950 0.149 0.000 2.664 404 F HA 0.470 5.000 4.527 0.004 0.000 0.301 404 F C 2.399 178.232 175.800 0.055 0.000 1.126 404 F CA 0.932 58.994 58.000 0.103 0.000 1.373 404 F CB 0.140 39.218 39.000 0.130 0.000 1.042 404 F HN 0.327 nan 8.300 nan 0.000 0.535 405 M N -0.042 119.561 119.600 0.006 0.000 2.149 405 M HA -0.126 4.357 4.480 0.004 0.000 0.261 405 M C 2.329 178.495 176.300 -0.223 0.000 1.064 405 M CA 2.198 57.227 55.300 -0.451 0.000 1.102 405 M CB -0.399 31.689 32.600 -0.854 0.000 1.369 405 M HN 0.304 nan 8.290 nan 0.000 0.408 406 G N -0.880 107.852 108.800 -0.112 0.000 2.396 406 G HA2 -0.058 3.904 3.960 0.004 0.000 0.214 406 G HA3 -0.058 3.904 3.960 0.004 0.000 0.214 406 G C 1.480 176.383 174.900 0.006 0.000 1.166 406 G CA 0.652 45.714 45.100 -0.063 0.000 0.793 406 G HN 0.603 nan 8.290 nan 0.000 0.533 407 A N 0.035 122.897 122.820 0.069 0.000 1.972 407 A HA -0.096 4.226 4.320 0.004 0.000 0.219 407 A C 2.260 179.912 177.584 0.113 0.000 1.169 407 A CA 2.017 54.126 52.037 0.121 0.000 0.635 407 A CB -0.397 18.756 19.000 0.255 0.000 0.810 407 A HN 0.383 nan 8.150 nan 0.000 0.446 408 Q N 0.044 119.924 119.800 0.134 0.000 2.079 408 Q HA -0.113 4.229 4.340 0.004 0.000 0.200 408 Q C 2.072 178.122 176.000 0.083 0.000 0.974 408 Q CA 1.986 57.868 55.803 0.132 0.000 0.840 408 Q CB -0.262 28.609 28.738 0.222 0.000 0.898 408 Q HN 0.430 nan 8.270 nan 0.000 0.430 409 V N 0.528 120.471 119.914 0.047 0.000 2.515 409 V HA -0.189 3.933 4.120 0.004 0.000 0.250 409 V C 2.320 178.432 176.094 0.029 0.000 1.058 409 V CA 1.964 64.282 62.300 0.029 0.000 1.064 409 V CB -0.737 31.084 31.823 -0.003 0.000 0.675 409 V HN 0.371 nan 8.190 nan 0.000 0.461 410 T N 0.422 114.994 114.554 0.031 0.000 2.788 410 T HA -0.152 4.201 4.350 0.004 0.000 0.268 410 T C 2.064 176.785 174.700 0.036 0.000 1.044 410 T CA 1.562 63.679 62.100 0.029 0.000 1.139 410 T CB -0.336 68.550 68.868 0.029 0.000 0.867 410 T HN 0.573 nan 8.240 nan 0.000 0.454 411 A N 1.214 124.062 122.820 0.046 0.000 1.902 411 A HA -0.119 4.203 4.320 0.004 0.000 0.217 411 A C 2.548 180.160 177.584 0.047 0.000 1.181 411 A CA 2.048 54.115 52.037 0.049 0.000 0.623 411 A CB -1.177 17.856 19.000 0.054 0.000 0.818 411 A HN 0.471 nan 8.150 nan 0.000 0.443 412 T N 0.319 114.899 114.554 0.044 0.000 2.746 412 T HA -0.005 4.348 4.350 0.004 0.000 0.267 412 T C 2.219 176.937 174.700 0.030 0.000 1.039 412 T CA 1.515 63.638 62.100 0.038 0.000 1.142 412 T CB -0.442 68.448 68.868 0.038 0.000 0.866 412 T HN 0.593 nan 8.240 nan 0.000 0.444 413 A N 1.271 124.107 122.820 0.028 0.000 1.933 413 A HA 0.011 4.334 4.320 0.004 0.000 0.218 413 A C 2.299 179.898 177.584 0.025 0.000 1.175 413 A CA 1.174 53.224 52.037 0.022 0.000 0.628 413 A CB -0.822 18.189 19.000 0.019 0.000 0.814 413 A HN 0.478 nan 8.150 nan 0.000 0.444 414 L N -1.185 120.057 121.223 0.031 0.000 2.056 414 L HA -0.153 4.190 4.340 0.004 0.000 0.207 414 L C 2.565 179.458 176.870 0.037 0.000 1.078 414 L CA 1.186 56.048 54.840 0.036 0.000 0.749 414 L CB -0.556 41.530 42.059 0.045 0.000 0.901 414 L HN 0.477 nan 8.230 nan 0.000 0.433 415 L N 0.336 121.580 121.223 0.036 0.000 2.027 415 L HA -0.111 4.232 4.340 0.004 0.000 0.206 415 L C 2.651 179.531 176.870 0.016 0.000 1.074 415 L CA 1.961 56.816 54.840 0.025 0.000 0.745 415 L CB -0.709 41.364 42.059 0.023 0.000 0.898 415 L HN 0.128 nan 8.230 nan 0.000 0.433 416 A N -0.777 122.053 122.820 0.017 0.000 1.940 416 A HA -0.295 4.028 4.320 0.004 0.000 0.219 416 A C 2.331 179.923 177.584 0.013 0.000 1.176 416 A CA 1.950 53.995 52.037 0.013 0.000 0.631 416 A CB -0.760 18.249 19.000 0.014 0.000 0.814 416 A HN 0.656 nan 8.150 nan 0.000 0.446 417 E N -0.614 119.596 120.200 0.017 0.000 2.072 417 E HA -0.173 4.179 4.350 0.004 0.000 0.191 417 E C 2.044 178.655 176.600 0.018 0.000 0.985 417 E CA 1.281 57.691 56.400 0.018 0.000 0.801 417 E CB -0.211 29.502 29.700 0.021 0.000 0.750 417 E HN 0.679 nan 8.360 nan 0.000 0.452 418 M N 0.037 119.649 119.600 0.019 0.000 2.108 418 M HA -0.179 4.303 4.480 0.004 0.000 0.261 418 M C 2.331 178.636 176.300 0.008 0.000 1.066 418 M CA 1.575 56.884 55.300 0.016 0.000 1.107 418 M CB -0.247 32.359 32.600 0.010 0.000 1.356 418 M HN 0.018 nan 8.290 nan 0.000 0.406 419 R N 0.184 120.686 120.500 0.004 0.000 2.189 419 R HA -0.026 4.316 4.340 0.004 0.000 0.223 419 R C 2.223 178.528 176.300 0.009 0.000 1.092 419 R CA 1.112 57.213 56.100 0.001 0.000 0.989 419 R CB -0.441 29.858 30.300 -0.001 0.000 0.876 419 R HN 0.384 nan 8.270 nan 0.000 0.457 420 A N 0.530 123.357 122.820 0.012 0.000 2.121 420 A HA -0.028 4.294 4.320 0.004 0.000 0.218 420 A C 0.774 178.370 177.584 0.019 0.000 1.154 420 A CA 0.904 52.949 52.037 0.014 0.000 0.679 420 A CB 0.098 19.106 19.000 0.012 0.000 0.795 420 A HN 0.101 nan 8.150 nan 0.000 0.458 421 T N 0.050 114.617 114.554 0.022 0.000 2.771 421 T HA 0.554 4.907 4.350 0.004 0.000 0.281 421 T C 0.438 175.161 174.700 0.038 0.000 0.982 421 T CA 0.057 62.175 62.100 0.031 0.000 0.978 421 T CB 1.542 70.428 68.868 0.029 0.000 0.930 421 T HN 0.367 nan 8.240 nan 0.000 0.447 422 G N 2.957 111.793 108.800 0.059 0.000 2.795 422 G HA2 0.678 4.640 3.960 0.004 0.000 0.267 422 G HA3 0.678 4.640 3.960 0.004 0.000 0.267 422 G C -2.651 172.296 174.900 0.079 0.000 1.362 422 G CA -1.603 43.535 45.100 0.063 0.000 1.048 422 G HN 0.439 nan 8.290 nan 0.000 0.547 423 P HA 0.261 nan 4.420 nan 0.000 0.267 423 P C 0.325 177.683 177.300 0.097 0.000 1.200 423 P CA 0.368 63.501 63.100 0.055 0.000 0.772 423 P CB 1.323 33.032 31.700 0.015 0.000 0.855 424 A N 1.874 124.755 122.820 0.101 0.000 1.997 424 A HA -0.036 4.287 4.320 0.004 0.000 0.212 424 A C 2.064 179.712 177.584 0.106 0.000 1.178 424 A CA 0.987 53.122 52.037 0.164 0.000 0.698 424 A CB -1.029 18.040 19.000 0.115 0.000 0.842 424 A HN 0.473 nan 8.150 nan 0.000 0.458 425 S N 0.671 116.392 115.700 0.034 0.000 2.402 425 S HA -0.200 4.272 4.470 0.004 0.000 0.233 425 S C 1.713 176.278 174.600 -0.059 0.000 1.030 425 S CA 1.649 59.850 58.200 0.002 0.000 1.003 425 S CB -0.716 62.486 63.200 0.003 0.000 0.813 425 S HN 0.797 nan 8.310 nan 0.000 0.477 426 I N -1.301 119.161 120.570 -0.180 0.000 3.444 426 I HA 0.039 4.212 4.170 0.004 0.000 0.287 426 I C 0.698 176.604 176.117 -0.351 0.000 1.302 426 I CA 1.010 62.142 61.300 -0.279 0.000 1.368 426 I CB -0.363 37.423 38.000 -0.356 0.000 1.048 426 I HN 0.167 nan 8.210 nan 0.000 0.487 427 H N 1.416 120.498 119.070 0.019 0.000 2.605 427 H HA 0.311 4.870 4.556 0.005 0.000 0.308 427 H C 0.638 175.979 175.328 0.021 0.000 1.080 427 H CA -0.216 55.843 56.048 0.019 0.000 1.119 427 H CB 0.020 29.793 29.762 0.019 0.000 1.479 427 H HN 0.302 nan 8.280 nan 0.000 0.537 428 S N 1.212 116.957 115.700 0.076 0.000 2.549 428 S HA 0.215 4.688 4.470 0.004 0.000 0.286 428 S C 0.267 174.907 174.600 0.066 0.000 1.314 428 S CA -0.254 57.985 58.200 0.065 0.000 1.062 428 S CB 0.026 63.250 63.200 0.040 0.000 0.865 428 S HN 0.304 nan 8.310 nan 0.000 0.498 429 I N 3.382 123.989 120.570 0.062 0.000 2.499 429 I HA 0.215 4.387 4.170 0.004 0.000 0.288 429 I C 0.055 176.199 176.117 0.045 0.000 1.048 429 I CA -0.635 60.696 61.300 0.052 0.000 1.062 429 I CB 2.114 40.145 38.000 0.052 0.000 1.238 429 I HN 0.588 nan 8.210 nan 0.000 0.426 430 S N 4.050 119.774 115.700 0.039 0.000 2.525 430 S HA 0.227 4.700 4.470 0.004 0.000 0.285 430 S C -0.177 174.445 174.600 0.036 0.000 1.283 430 S CA 0.464 58.686 58.200 0.037 0.000 1.072 430 S CB 0.210 63.429 63.200 0.032 0.000 0.867 430 S HN 0.773 nan 8.310 nan 0.000 0.492 431 T N 3.160 117.737 114.554 0.039 0.000 2.654 431 T HA 0.419 4.771 4.350 0.004 0.000 0.289 431 T C -0.301 174.423 174.700 0.039 0.000 1.062 431 T CA -0.115 62.007 62.100 0.038 0.000 1.041 431 T CB 0.811 69.703 68.868 0.040 0.000 1.417 431 T HN 0.905 nan 8.240 nan 0.000 0.510 432 N N 0.550 119.274 118.700 0.040 0.000 2.727 432 N HA -0.225 4.518 4.740 0.004 0.000 0.251 432 N C 0.288 175.820 175.510 0.037 0.000 1.040 432 N CA 0.802 53.878 53.050 0.042 0.000 0.712 432 N CB -1.188 37.330 38.487 0.052 0.000 0.912 432 N HN 1.548 nan 8.380 nan 0.000 0.545 433 A N -0.767 122.070 122.820 0.029 0.000 2.822 433 A HA 0.011 4.333 4.320 0.004 0.000 0.287 433 A C 1.313 178.913 177.584 0.027 0.000 1.479 433 A CA 2.050 54.101 52.037 0.024 0.000 0.779 433 A CB -2.291 16.721 19.000 0.021 0.000 1.022 433 A HN 2.256 nan 8.150 nan 0.000 0.532 434 A N -2.443 120.395 122.820 0.030 0.000 3.396 434 A HA -0.354 3.968 4.320 0.004 0.000 0.267 434 A C 1.367 178.972 177.584 0.036 0.000 1.139 434 A CA 2.004 54.059 52.037 0.031 0.000 1.115 434 A CB -2.541 16.474 19.000 0.025 0.000 1.133 434 A HN 2.239 nan 8.150 nan 0.000 0.920 435 N N -0.023 118.701 118.700 0.041 0.000 2.216 435 N HA -0.083 4.660 4.740 0.004 0.000 0.183 435 N C 0.970 176.513 175.510 0.055 0.000 1.017 435 N CA 1.801 54.879 53.050 0.047 0.000 0.861 435 N CB -0.143 38.377 38.487 0.054 0.000 0.986 435 N HN 0.748 nan 8.380 nan 0.000 0.428 436 Q N 0.531 120.363 119.800 0.054 0.000 3.008 436 Q HA 0.069 4.412 4.340 0.004 0.000 0.307 436 Q C -0.445 175.589 176.000 0.056 0.000 1.273 436 Q CA -0.297 55.544 55.803 0.063 0.000 1.091 436 Q CB 0.613 29.385 28.738 0.056 0.000 1.393 436 Q HN 0.503 nan 8.270 nan 0.000 0.521 437 D N -0.438 119.992 120.400 0.051 0.000 2.350 437 D HA -0.081 4.561 4.640 0.004 0.000 0.216 437 D C 0.674 176.999 176.300 0.043 0.000 0.968 437 D CA 0.437 54.462 54.000 0.042 0.000 0.894 437 D CB 0.080 40.901 40.800 0.034 0.000 0.909 437 D HN 0.208 nan 8.370 nan 0.000 0.520 438 V N -1.838 118.107 119.914 0.051 0.000 2.760 438 V HA 0.746 4.869 4.120 0.004 0.000 0.309 438 V C -0.433 175.700 176.094 0.065 0.000 1.077 438 V CA -1.215 61.115 62.300 0.049 0.000 0.910 438 V CB 1.899 33.746 31.823 0.039 0.000 1.008 438 V HN 0.093 nan 8.190 nan 0.000 0.424 439 V N 1.067 121.019 119.914 0.062 0.000 2.962 439 V HA 0.775 4.898 4.120 0.004 0.000 0.313 439 V C 1.075 177.207 176.094 0.064 0.000 1.099 439 V CA 0.261 62.605 62.300 0.073 0.000 0.971 439 V CB 1.422 33.285 31.823 0.066 0.000 1.028 439 V HN 1.296 nan 8.190 nan 0.000 0.430 440 S N 2.445 118.188 115.700 0.071 0.000 2.406 440 S HA 0.082 4.554 4.470 0.004 0.000 0.224 440 S C 1.150 175.782 174.600 0.054 0.000 1.030 440 S CA 1.125 59.359 58.200 0.057 0.000 0.958 440 S CB -0.857 62.380 63.200 0.063 0.000 0.811 440 S HN 1.385 nan 8.310 nan 0.000 0.489 441 L N 0.436 121.694 121.223 0.059 0.000 4.040 441 L HA -0.192 4.151 4.340 0.004 0.000 0.410 441 L C 1.484 178.386 176.870 0.054 0.000 1.187 441 L CA 0.011 54.887 54.840 0.059 0.000 0.956 441 L CB -2.252 39.850 42.059 0.072 0.000 2.022 441 L HN 0.534 nan 8.230 nan 0.000 0.897 442 G N -0.426 108.404 108.800 0.050 0.000 2.432 442 G HA2 -0.192 3.771 3.960 0.004 0.000 0.219 442 G HA3 -0.192 3.771 3.960 0.004 0.000 0.219 442 G C 1.278 176.204 174.900 0.043 0.000 1.135 442 G CA 1.352 46.478 45.100 0.044 0.000 0.767 442 G HN 0.479 nan 8.290 nan 0.000 0.550 443 T N 1.245 115.823 114.554 0.040 0.000 2.777 443 T HA -0.002 4.351 4.350 0.004 0.000 0.266 443 T C 2.366 177.089 174.700 0.038 0.000 1.040 443 T CA 0.848 62.969 62.100 0.035 0.000 1.141 443 T CB -0.093 68.791 68.868 0.027 0.000 0.868 443 T HN 0.276 nan 8.240 nan 0.000 0.444 444 I N 1.576 122.171 120.570 0.042 0.000 2.252 444 I HA -0.114 4.059 4.170 0.004 0.000 0.245 444 I C 3.014 179.163 176.117 0.052 0.000 1.102 444 I CA 0.963 62.290 61.300 0.044 0.000 1.385 444 I CB -0.518 37.511 38.000 0.048 0.000 1.064 444 I HN 0.208 nan 8.210 nan 0.000 0.414 445 A N 0.881 123.735 122.820 0.058 0.000 1.908 445 A HA -0.188 4.134 4.320 0.004 0.000 0.218 445 A C 2.541 180.163 177.584 0.065 0.000 1.181 445 A CA 1.989 54.063 52.037 0.062 0.000 0.627 445 A CB -0.835 18.201 19.000 0.060 0.000 0.818 445 A HN 0.430 nan 8.150 nan 0.000 0.445 446 A N -0.442 122.416 122.820 0.064 0.000 1.930 446 A HA -0.121 4.202 4.320 0.004 0.000 0.217 446 A C 2.242 179.866 177.584 0.067 0.000 1.175 446 A CA 1.434 53.515 52.037 0.075 0.000 0.627 446 A CB -0.415 18.627 19.000 0.070 0.000 0.815 446 A HN 0.547 nan 8.150 nan 0.000 0.443 447 R N -0.531 120.002 120.500 0.054 0.000 2.092 447 R HA 0.028 4.371 4.340 0.004 0.000 0.231 447 R C 1.966 178.296 176.300 0.050 0.000 1.119 447 R CA 1.269 57.398 56.100 0.049 0.000 0.970 447 R CB -0.432 29.891 30.300 0.037 0.000 0.864 447 R HN 0.492 nan 8.270 nan 0.000 0.440 448 L N -0.277 120.976 121.223 0.051 0.000 2.093 448 L HA -0.202 4.140 4.340 0.004 0.000 0.208 448 L C 2.737 179.638 176.870 0.053 0.000 1.085 448 L CA 0.720 55.590 54.840 0.049 0.000 0.755 448 L CB -0.486 41.603 42.059 0.051 0.000 0.904 448 L HN 0.372 nan 8.230 nan 0.000 0.435 449 C N 0.308 119.642 119.300 0.058 0.000 2.446 449 C HA -0.147 4.316 4.460 0.004 0.000 0.277 449 C C 3.087 178.119 174.990 0.069 0.000 1.275 449 C CA 0.794 59.847 59.018 0.057 0.000 1.727 449 C CB -0.529 27.245 27.740 0.058 0.000 2.010 449 C HN 0.490 nan 8.230 nan 0.000 0.486 450 R N 1.347 121.891 120.500 0.072 0.000 2.083 450 R HA -0.093 4.249 4.340 0.004 0.000 0.237 450 R C 2.107 178.456 176.300 0.081 0.000 1.137 450 R CA 2.073 58.221 56.100 0.080 0.000 0.951 450 R CB -0.848 29.496 30.300 0.074 0.000 0.851 450 R HN 0.541 nan 8.270 nan 0.000 0.434 451 E N 0.755 120.996 120.200 0.068 0.000 2.085 451 E HA -0.189 4.163 4.350 0.004 0.000 0.194 451 E C 1.886 178.532 176.600 0.077 0.000 0.994 451 E CA 1.464 57.903 56.400 0.064 0.000 0.801 451 E CB -0.150 29.580 29.700 0.050 0.000 0.743 451 E HN 0.439 nan 8.360 nan 0.000 0.453 452 K N 0.322 120.769 120.400 0.078 0.000 2.097 452 K HA -0.034 4.289 4.320 0.004 0.000 0.205 452 K C 2.322 179.018 176.600 0.161 0.000 1.050 452 K CA 0.818 57.158 56.287 0.089 0.000 0.938 452 K CB -0.139 32.392 32.500 0.051 0.000 0.718 452 K HN 0.106 nan 8.250 nan 0.000 0.442 453 I N 1.506 122.181 120.570 0.176 0.000 2.226 453 I HA -0.290 3.883 4.170 0.004 0.000 0.245 453 I C 1.602 177.839 176.117 0.199 0.000 1.100 453 I CA 1.209 62.665 61.300 0.260 0.000 1.374 453 I CB -0.312 37.802 38.000 0.191 0.000 1.057 453 I HN 0.157 nan 8.210 nan 0.000 0.413 454 D N 0.598 121.074 120.400 0.127 0.000 2.144 454 D HA -0.128 4.515 4.640 0.004 0.000 0.199 454 D C 2.338 178.691 176.300 0.089 0.000 0.984 454 D CA 0.922 54.973 54.000 0.084 0.000 0.834 454 D CB -0.225 40.614 40.800 0.065 0.000 0.955 454 D HN 0.192 nan 8.370 nan 0.000 0.465 455 R N -0.042 120.528 120.500 0.116 0.000 2.075 455 R HA -0.116 4.227 4.340 0.004 0.000 0.232 455 R C 2.133 178.543 176.300 0.182 0.000 1.126 455 R CA 0.463 56.631 56.100 0.114 0.000 0.963 455 R CB -1.018 29.341 30.300 0.098 0.000 0.858 455 R HN 0.345 nan 8.270 nan 0.000 0.435 456 W N 1.896 123.197 121.300 0.002 0.000 2.363 456 W HA -0.094 4.569 4.660 0.004 0.000 0.296 456 W C 2.072 178.582 176.519 -0.014 0.000 1.212 456 W CA 1.393 58.739 57.345 0.002 0.000 1.260 456 W CB -0.607 28.862 29.460 0.015 0.000 1.131 456 W HN 0.133 nan 8.180 nan 0.000 0.530 457 A N 0.052 122.863 122.820 -0.015 0.000 1.933 457 A HA -0.206 4.117 4.320 0.004 0.000 0.218 457 A C 1.870 179.368 177.584 -0.144 0.000 1.175 457 A CA 1.889 53.806 52.037 -0.199 0.000 0.628 457 A CB -0.701 18.206 19.000 -0.156 0.000 0.814 457 A HN 0.449 nan 8.150 nan 0.000 0.444 458 E N -0.359 119.815 120.200 -0.044 0.000 2.072 458 E HA -0.084 4.269 4.350 0.004 0.000 0.190 458 E C 1.825 178.411 176.600 -0.024 0.000 0.982 458 E CA 1.065 57.442 56.400 -0.038 0.000 0.803 458 E CB -0.225 29.477 29.700 0.003 0.000 0.755 458 E HN 0.692 nan 8.360 nan 0.000 0.453 459 I N 0.849 121.442 120.570 0.038 0.000 2.252 459 I HA -0.271 3.901 4.170 0.004 0.000 0.245 459 I C 2.227 178.359 176.117 0.024 0.000 1.102 459 I CA 0.965 62.304 61.300 0.065 0.000 1.385 459 I CB -0.143 37.950 38.000 0.155 0.000 1.064 459 I HN 0.114 nan 8.210 nan 0.000 0.414 460 L N 0.433 121.647 121.223 -0.015 0.000 2.083 460 L HA -0.207 4.136 4.340 0.004 0.000 0.209 460 L C 2.819 179.585 176.870 -0.174 0.000 1.083 460 L CA 1.243 56.030 54.840 -0.090 0.000 0.752 460 L CB -0.665 41.255 42.059 -0.233 0.000 0.899 460 L HN 0.251 nan 8.230 nan 0.000 0.433 461 A N 0.284 122.971 122.820 -0.222 0.000 1.902 461 A HA -0.182 4.140 4.320 0.004 0.000 0.217 461 A C 2.203 179.665 177.584 -0.204 0.000 1.181 461 A CA 1.504 53.375 52.037 -0.277 0.000 0.623 461 A CB -0.614 18.234 19.000 -0.253 0.000 0.818 461 A HN 0.356 nan 8.150 nan 0.000 0.443 462 I N -0.849 119.650 120.570 -0.119 0.000 2.226 462 I HA -0.219 3.954 4.170 0.004 0.000 0.245 462 I C 2.419 178.461 176.117 -0.124 0.000 1.100 462 I CA 1.181 62.434 61.300 -0.079 0.000 1.374 462 I CB -0.251 37.740 38.000 -0.014 0.000 1.057 462 I HN 0.400 nan 8.210 nan 0.000 0.413 463 L N 1.190 122.359 121.223 -0.091 0.000 2.083 463 L HA -0.120 4.223 4.340 0.004 0.000 0.209 463 L C 2.522 179.331 176.870 -0.101 0.000 1.083 463 L CA 2.047 56.840 54.840 -0.079 0.000 0.752 463 L CB -0.746 41.310 42.059 -0.006 0.000 0.899 463 L HN 0.168 nan 8.230 nan 0.000 0.433 464 A N -0.469 122.287 122.820 -0.106 0.000 1.902 464 A HA -0.147 4.176 4.320 0.004 0.000 0.217 464 A C 2.248 179.760 177.584 -0.120 0.000 1.181 464 A CA 1.940 53.929 52.037 -0.080 0.000 0.623 464 A CB -0.874 18.038 19.000 -0.146 0.000 0.818 464 A HN 0.495 nan 8.150 nan 0.000 0.443 465 L N -0.936 120.175 121.223 -0.188 0.000 2.093 465 L HA -0.226 4.116 4.340 0.004 0.000 0.208 465 L C 2.708 179.375 176.870 -0.338 0.000 1.085 465 L CA 1.095 55.841 54.840 -0.157 0.000 0.755 465 L CB -0.673 41.353 42.059 -0.054 0.000 0.904 465 L HN 0.484 nan 8.230 nan 0.000 0.435 466 C N -0.184 118.769 119.300 -0.579 0.000 2.432 466 C HA -0.134 4.329 4.460 0.004 0.000 0.277 466 C C 2.747 177.527 174.990 -0.350 0.000 1.249 466 C CA 0.487 59.016 59.018 -0.815 0.000 1.725 466 C CB -0.716 26.674 27.740 -0.584 0.000 2.028 466 C HN 0.428 nan 8.230 nan 0.000 0.477 467 L N 0.933 122.046 121.223 -0.183 0.000 2.083 467 L HA -0.140 4.203 4.340 0.004 0.000 0.209 467 L C 2.856 179.712 176.870 -0.025 0.000 1.083 467 L CA 1.475 56.275 54.840 -0.067 0.000 0.752 467 L CB -0.711 41.343 42.059 -0.009 0.000 0.899 467 L HN 0.342 nan 8.230 nan 0.000 0.433 468 A N -0.321 122.490 122.820 -0.016 0.000 1.902 468 A HA -0.293 4.030 4.320 0.004 0.000 0.217 468 A C 2.215 179.829 177.584 0.049 0.000 1.181 468 A CA 1.994 54.054 52.037 0.039 0.000 0.623 468 A CB -0.485 18.554 19.000 0.066 0.000 0.818 468 A HN 0.431 nan 8.150 nan 0.000 0.443 469 Q N -0.418 119.409 119.800 0.045 0.000 2.049 469 Q HA 0.033 4.375 4.340 0.004 0.000 0.198 469 Q C 2.080 178.112 176.000 0.054 0.000 0.971 469 Q CA 1.951 57.815 55.803 0.102 0.000 0.833 469 Q CB -0.498 28.388 28.738 0.247 0.000 0.896 469 Q HN 0.535 nan 8.270 nan 0.000 0.434 470 A N 0.489 123.311 122.820 0.004 0.000 1.933 470 A HA -0.101 4.222 4.320 0.004 0.000 0.218 470 A C 2.303 179.895 177.584 0.012 0.000 1.175 470 A CA 1.799 53.837 52.037 0.001 0.000 0.628 470 A CB -1.218 17.767 19.000 -0.024 0.000 0.814 470 A HN 0.549 nan 8.150 nan 0.000 0.444 471 A N -0.140 122.692 122.820 0.019 0.000 1.902 471 A HA -0.192 4.131 4.320 0.004 0.000 0.217 471 A C 1.924 179.524 177.584 0.027 0.000 1.181 471 A CA 1.719 53.771 52.037 0.026 0.000 0.623 471 A CB -0.500 18.521 19.000 0.035 0.000 0.818 471 A HN 0.659 nan 8.150 nan 0.000 0.443 472 E N -0.335 119.885 120.200 0.034 0.000 2.107 472 E HA -0.045 4.308 4.350 0.004 0.000 0.191 472 E C 1.928 178.542 176.600 0.023 0.000 0.982 472 E CA 0.795 57.215 56.400 0.033 0.000 0.809 472 E CB -0.221 29.505 29.700 0.044 0.000 0.756 472 E HN 0.610 nan 8.360 nan 0.000 0.459 473 L N 0.506 121.742 121.223 0.020 0.000 2.056 473 L HA -0.147 4.195 4.340 0.004 0.000 0.207 473 L C 2.651 179.522 176.870 0.002 0.000 1.078 473 L CA 0.951 55.794 54.840 0.006 0.000 0.749 473 L CB -0.173 41.886 42.059 -0.001 0.000 0.901 473 L HN 0.018 nan 8.230 nan 0.000 0.433 474 R N -0.126 120.377 120.500 0.006 0.000 2.062 474 R HA -0.061 4.282 4.340 0.004 0.000 0.226 474 R C 1.787 178.092 176.300 0.007 0.000 1.125 474 R CA 1.725 57.828 56.100 0.004 0.000 0.966 474 R CB -0.440 29.864 30.300 0.005 0.000 0.861 474 R HN 0.365 nan 8.270 nan 0.000 0.433 475 C N 0.266 119.573 119.300 0.012 0.000 2.974 475 C HA 0.647 5.109 4.460 0.004 0.000 0.282 475 C C 0.626 175.624 174.990 0.015 0.000 1.292 475 C CA -0.373 58.653 59.018 0.014 0.000 1.710 475 C CB -0.845 26.906 27.740 0.018 0.000 2.036 475 C HN 0.750 nan 8.230 nan 0.000 0.629 476 G N 1.763 110.571 108.800 0.014 0.000 2.787 476 G HA2 -0.159 3.803 3.960 0.004 0.000 0.685 476 G HA3 -0.159 3.803 3.960 0.004 0.000 0.685 476 G C 0.742 175.654 174.900 0.020 0.000 1.437 476 G CA 0.086 45.195 45.100 0.015 0.000 0.872 476 G HN 0.808 nan 8.290 nan 0.000 0.566 477 S N -0.625 115.087 115.700 0.020 0.000 2.419 477 S HA 0.028 4.500 4.470 0.004 0.000 0.235 477 S C 2.389 177.003 174.600 0.024 0.000 1.019 477 S CA 1.921 60.136 58.200 0.025 0.000 0.982 477 S CB -0.233 62.980 63.200 0.023 0.000 0.789 477 S HN 2.186 nan 8.310 nan 0.000 0.490 478 G N 0.799 109.611 108.800 0.020 0.000 2.920 478 G HA2 0.359 4.321 3.960 0.004 0.000 0.208 478 G HA3 0.359 4.321 3.960 0.004 0.000 0.208 478 G C 0.517 175.429 174.900 0.021 0.000 1.159 478 G CA -0.096 45.016 45.100 0.019 0.000 0.784 478 G HN 0.615 nan 8.290 nan 0.000 0.535 479 L N 1.013 122.249 121.223 0.023 0.000 3.677 479 L HA -0.143 4.199 4.340 0.004 0.000 0.464 479 L C -0.924 175.958 176.870 0.021 0.000 1.278 479 L CA -0.113 54.742 54.840 0.024 0.000 0.806 479 L CB -1.682 40.395 42.059 0.028 0.000 1.610 479 L HN 0.220 nan 8.230 nan 0.000 0.867 480 D N 1.374 121.785 120.400 0.018 0.000 2.417 480 D HA 0.315 4.957 4.640 0.004 0.000 0.250 480 D C 1.351 177.660 176.300 0.016 0.000 1.166 480 D CA 1.264 55.274 54.000 0.016 0.000 0.881 480 D CB 1.433 42.241 40.800 0.013 0.000 1.164 480 D HN 0.542 nan 8.370 nan 0.000 0.467 481 G N 1.481 110.291 108.800 0.016 0.000 2.217 481 G HA2 -0.283 3.679 3.960 0.004 0.000 0.246 481 G HA3 -0.283 3.679 3.960 0.004 0.000 0.246 481 G C 0.474 175.386 174.900 0.020 0.000 0.990 481 G CA 0.035 45.145 45.100 0.017 0.000 0.627 481 G HN 0.519 nan 8.290 nan 0.000 0.522 482 V N 2.734 122.661 119.914 0.023 0.000 2.715 482 V HA 0.465 4.588 4.120 0.004 0.000 0.299 482 V C 1.517 177.628 176.094 0.027 0.000 1.054 482 V CA 0.249 62.566 62.300 0.028 0.000 1.077 482 V CB 1.339 33.180 31.823 0.030 0.000 0.972 482 V HN 1.115 nan 8.190 nan 0.000 0.484 483 S N 5.097 120.816 115.700 0.032 0.000 2.576 483 S HA 0.126 4.599 4.470 0.004 0.000 0.272 483 S C -1.672 172.943 174.600 0.024 0.000 1.352 483 S CA -0.630 57.587 58.200 0.030 0.000 1.021 483 S CB 0.545 63.768 63.200 0.038 0.000 0.887 483 S HN 0.577 nan 8.310 nan 0.000 0.542 484 P HA -0.074 nan 4.420 nan 0.000 0.215 484 P C 1.653 178.960 177.300 0.011 0.000 1.157 484 P CA 2.028 65.137 63.100 0.014 0.000 0.868 484 P CB -0.252 31.454 31.700 0.010 0.000 0.788 485 A N -0.333 122.492 122.820 0.008 0.000 1.902 485 A HA -0.071 4.252 4.320 0.004 0.000 0.217 485 A C 2.487 180.074 177.584 0.005 0.000 1.181 485 A CA 2.046 54.081 52.037 -0.003 0.000 0.623 485 A CB -1.874 17.119 19.000 -0.011 0.000 0.818 485 A HN 0.275 nan 8.150 nan 0.000 0.443 486 G N -0.321 108.492 108.800 0.021 0.000 2.418 486 G HA2 -0.228 3.734 3.960 0.004 0.000 0.217 486 G HA3 -0.228 3.734 3.960 0.004 0.000 0.217 486 G C 1.685 176.607 174.900 0.037 0.000 1.158 486 G CA 1.106 46.226 45.100 0.033 0.000 0.771 486 G HN 0.567 nan 8.290 nan 0.000 0.545 487 K N 0.167 120.585 120.400 0.031 0.000 2.057 487 K HA -0.056 4.267 4.320 0.004 0.000 0.207 487 K C 2.446 179.068 176.600 0.035 0.000 1.049 487 K CA 1.297 57.604 56.287 0.033 0.000 0.931 487 K CB -0.134 32.382 32.500 0.026 0.000 0.714 487 K HN 0.252 nan 8.250 nan 0.000 0.440 488 K N 1.362 121.778 120.400 0.027 0.000 2.097 488 K HA -0.119 4.204 4.320 0.004 0.000 0.206 488 K C 2.149 178.775 176.600 0.043 0.000 1.049 488 K CA 0.884 57.188 56.287 0.027 0.000 0.933 488 K CB -0.058 32.449 32.500 0.011 0.000 0.717 488 K HN 0.098 nan 8.250 nan 0.000 0.442 489 L N 0.621 121.869 121.223 0.042 0.000 2.017 489 L HA -0.171 4.172 4.340 0.004 0.000 0.208 489 L C 2.055 178.998 176.870 0.121 0.000 1.073 489 L CA 1.134 56.020 54.840 0.076 0.000 0.745 489 L CB -0.145 41.947 42.059 0.054 0.000 0.894 489 L HN 0.019 nan 8.230 nan 0.000 0.432 490 V N -0.074 119.897 119.914 0.095 0.000 2.358 490 V HA -0.301 3.821 4.120 0.004 0.000 0.246 490 V C 2.461 178.612 176.094 0.094 0.000 1.047 490 V CA 1.975 64.334 62.300 0.098 0.000 1.035 490 V CB -0.670 31.197 31.823 0.075 0.000 0.658 490 V HN 0.548 nan 8.190 nan 0.000 0.452 491 Q N 0.050 119.894 119.800 0.074 0.000 2.084 491 Q HA -0.178 4.165 4.340 0.004 0.000 0.202 491 Q C 2.430 178.472 176.000 0.070 0.000 0.978 491 Q CA 1.815 57.655 55.803 0.062 0.000 0.844 491 Q CB -0.449 28.316 28.738 0.045 0.000 0.898 491 Q HN 0.672 nan 8.270 nan 0.000 0.426 492 A N 0.863 123.734 122.820 0.085 0.000 1.902 492 A HA -0.142 4.181 4.320 0.004 0.000 0.217 492 A C 2.072 179.727 177.584 0.119 0.000 1.181 492 A CA 1.014 53.106 52.037 0.092 0.000 0.623 492 A CB -0.611 18.458 19.000 0.116 0.000 0.818 492 A HN 0.279 nan 8.150 nan 0.000 0.443 493 L N -1.063 120.264 121.223 0.173 0.000 2.056 493 L HA -0.139 4.203 4.340 0.004 0.000 0.207 493 L C 2.647 179.664 176.870 0.246 0.000 1.078 493 L CA 0.926 55.919 54.840 0.256 0.000 0.749 493 L CB -0.382 41.811 42.059 0.224 0.000 0.901 493 L HN 0.265 nan 8.230 nan 0.000 0.433 494 R N 0.224 120.815 120.500 0.152 0.000 2.285 494 R HA -0.121 4.221 4.340 0.004 0.000 0.213 494 R C 1.832 178.157 176.300 0.042 0.000 1.068 494 R CA 0.674 56.839 56.100 0.109 0.000 1.004 494 R CB -0.310 30.041 30.300 0.084 0.000 0.873 494 R HN 0.527 nan 8.270 nan 0.000 0.467 495 E N 0.031 120.242 120.200 0.018 0.000 2.150 495 E HA -0.142 4.211 4.350 0.004 0.000 0.193 495 E C 1.431 177.958 176.600 -0.121 0.000 0.985 495 E CA 0.830 57.208 56.400 -0.037 0.000 0.814 495 E CB 0.293 29.974 29.700 -0.031 0.000 0.752 495 E HN 0.214 nan 8.360 nan 0.000 0.466 496 Q N -1.261 118.409 119.800 -0.217 0.000 2.322 496 Q HA 0.134 4.477 4.340 0.004 0.000 0.250 496 Q C -0.392 175.164 176.000 -0.742 0.000 0.853 496 Q CA 0.293 55.778 55.803 -0.530 0.000 0.951 496 Q CB 0.879 29.139 28.738 -0.796 0.000 1.114 496 Q HN 0.107 nan 8.270 nan 0.000 0.523 497 F N 2.120 122.065 119.950 -0.009 0.000 2.382 497 F HA 0.434 4.964 4.527 0.004 0.000 0.361 497 F C -2.129 173.686 175.800 0.025 0.000 1.109 497 F CA -2.656 55.349 58.000 0.009 0.000 1.031 497 F CB 1.331 40.341 39.000 0.016 0.000 1.234 497 F HN -0.201 nan 8.300 nan 0.000 0.445 498 P HA 0.185 nan 4.420 nan 0.000 0.272 498 P C -2.477 174.896 177.300 0.122 0.000 1.230 498 P CA -1.007 62.151 63.100 0.097 0.000 0.788 498 P CB 0.153 31.885 31.700 0.054 0.000 0.949 499 P HA 0.076 nan 4.420 nan 0.000 0.270 499 P C -0.685 176.662 177.300 0.079 0.000 1.223 499 P CA -0.100 63.062 63.100 0.103 0.000 0.785 499 P CB 0.282 32.027 31.700 0.075 0.000 0.923 500 L N 2.354 123.626 121.223 0.081 0.000 2.358 500 L HA 0.146 4.489 4.340 0.004 0.000 0.274 500 L C 0.971 177.843 176.870 0.003 0.000 1.136 500 L CA 0.597 55.431 54.840 -0.009 0.000 0.970 500 L CB -0.771 41.192 42.059 -0.159 0.000 1.314 500 L HN 0.328 nan 8.230 nan 0.000 0.427 501 E N 0.915 121.121 120.200 0.009 0.000 2.170 501 E HA 0.018 4.371 4.350 0.004 0.000 0.191 501 E C 0.288 176.895 176.600 0.012 0.000 0.981 501 E CA 0.571 56.980 56.400 0.015 0.000 0.830 501 E CB 0.370 30.080 29.700 0.017 0.000 0.775 501 E HN 0.585 nan 8.360 nan 0.000 0.470 502 T N -0.013 114.538 114.554 -0.005 0.000 2.883 502 T HA 0.141 4.494 4.350 0.004 0.000 0.301 502 T C -1.746 172.931 174.700 -0.039 0.000 1.158 502 T CA -0.999 61.097 62.100 -0.006 0.000 1.007 502 T CB 1.389 70.256 68.868 -0.002 0.000 1.186 502 T HN -0.230 nan 8.240 nan 0.000 0.499 503 D N 2.521 122.896 120.400 -0.042 0.000 2.455 503 D HA 0.374 5.017 4.640 0.004 0.000 0.241 503 D C 0.516 176.776 176.300 -0.067 0.000 1.138 503 D CA 0.520 54.475 54.000 -0.075 0.000 0.877 503 D CB 0.424 41.185 40.800 -0.063 0.000 1.187 503 D HN 0.645 nan 8.370 nan 0.000 0.451 504 R N 0.467 120.915 120.500 -0.086 0.000 2.710 504 R HA 0.620 4.963 4.340 0.004 0.000 0.270 504 R C -3.118 173.147 176.300 -0.059 0.000 1.021 504 R CA -1.713 54.352 56.100 -0.057 0.000 0.889 504 R CB 0.280 30.556 30.300 -0.041 0.000 1.243 504 R HN -0.000 nan 8.270 nan 0.000 0.464 505 P HA 0.108 nan 4.420 nan 0.000 0.264 505 P C -0.313 176.980 177.300 -0.011 0.000 1.193 505 P CA -0.158 62.929 63.100 -0.023 0.000 0.763 505 P CB 0.562 32.255 31.700 -0.011 0.000 0.810 506 L N 1.726 122.944 121.223 -0.009 0.000 2.731 506 L HA 0.176 4.519 4.340 0.004 0.000 0.240 506 L C 2.289 179.175 176.870 0.028 0.000 1.120 506 L CA 0.367 55.217 54.840 0.015 0.000 0.913 506 L CB -0.268 41.801 42.059 0.016 0.000 1.213 506 L HN 0.530 nan 8.230 nan 0.000 0.515 507 G N 0.204 109.015 108.800 0.019 0.000 2.491 507 G HA2 -0.297 3.665 3.960 0.004 0.000 0.218 507 G HA3 -0.297 3.665 3.960 0.004 0.000 0.218 507 G C 1.396 176.312 174.900 0.027 0.000 1.180 507 G CA 0.703 45.814 45.100 0.019 0.000 0.774 507 G HN 0.375 nan 8.290 nan 0.000 0.562 508 Q N -0.098 119.723 119.800 0.035 0.000 2.119 508 Q HA -0.078 4.265 4.340 0.004 0.000 0.201 508 Q C 2.509 178.560 176.000 0.084 0.000 0.972 508 Q CA 1.274 57.106 55.803 0.049 0.000 0.847 508 Q CB -0.113 28.651 28.738 0.044 0.000 0.903 508 Q HN 0.625 nan 8.270 nan 0.000 0.433 509 E N 0.625 120.892 120.200 0.111 0.000 2.072 509 E HA -0.142 4.210 4.350 0.004 0.000 0.191 509 E C 1.975 178.591 176.600 0.027 0.000 0.985 509 E CA 0.727 57.247 56.400 0.201 0.000 0.801 509 E CB -0.024 29.817 29.700 0.235 0.000 0.750 509 E HN 0.326 nan 8.360 nan 0.000 0.452 510 I N 1.117 121.674 120.570 -0.021 0.000 2.179 510 I HA -0.295 3.878 4.170 0.004 0.000 0.242 510 I C 2.533 178.617 176.117 -0.054 0.000 1.088 510 I CA 1.051 62.306 61.300 -0.074 0.000 1.357 510 I CB -0.301 37.681 38.000 -0.030 0.000 1.051 510 I HN 0.099 nan 8.210 nan 0.000 0.409 511 A N 0.636 123.453 122.820 -0.004 0.000 1.902 511 A HA -0.156 4.166 4.320 0.004 0.000 0.217 511 A C 2.530 180.129 177.584 0.024 0.000 1.181 511 A CA 1.869 53.911 52.037 0.007 0.000 0.623 511 A CB -0.825 18.188 19.000 0.021 0.000 0.818 511 A HN 0.439 nan 8.150 nan 0.000 0.443 512 A N -0.580 122.283 122.820 0.072 0.000 1.873 512 A HA -0.002 4.320 4.320 0.004 0.000 0.215 512 A C 2.124 179.796 177.584 0.146 0.000 1.186 512 A CA 1.715 53.830 52.037 0.131 0.000 0.616 512 A CB -0.612 18.520 19.000 0.219 0.000 0.823 512 A HN 0.680 nan 8.150 nan 0.000 0.442 513 L N -0.167 121.097 121.223 0.069 0.000 2.056 513 L HA -0.010 4.333 4.340 0.004 0.000 0.207 513 L C 2.635 179.430 176.870 -0.124 0.000 1.078 513 L CA 2.082 56.874 54.840 -0.081 0.000 0.749 513 L CB -0.931 40.811 42.059 -0.530 0.000 0.901 513 L HN 0.345 nan 8.230 nan 0.000 0.433 514 A N -1.467 121.272 122.820 -0.135 0.000 1.908 514 A HA -0.238 4.085 4.320 0.004 0.000 0.218 514 A C 2.274 179.798 177.584 -0.100 0.000 1.181 514 A CA 2.407 54.354 52.037 -0.150 0.000 0.627 514 A CB -1.269 17.673 19.000 -0.097 0.000 0.818 514 A HN 0.509 nan 8.150 nan 0.000 0.445 515 T N -1.440 113.100 114.554 -0.023 0.000 2.759 515 T HA -0.175 4.178 4.350 0.004 0.000 0.269 515 T C 1.860 176.567 174.700 0.012 0.000 1.042 515 T CA 1.938 64.043 62.100 0.008 0.000 1.140 515 T CB -0.401 68.492 68.868 0.042 0.000 0.864 515 T HN 0.809 nan 8.240 nan 0.000 0.455 516 H N 1.183 120.216 119.070 -0.062 0.000 2.326 516 H HA 0.093 4.652 4.556 0.004 0.000 0.301 516 H C 2.030 177.293 175.328 -0.108 0.000 1.081 516 H CA 1.273 57.291 56.048 -0.051 0.000 1.334 516 H CB -0.544 29.213 29.762 -0.009 0.000 1.385 516 H HN 0.238 nan 8.280 nan 0.000 0.504 517 L N -0.034 120.992 121.223 -0.329 0.000 2.081 517 L HA -0.199 4.144 4.340 0.004 0.000 0.212 517 L C 2.407 179.119 176.870 -0.263 0.000 1.080 517 L CA 1.153 55.663 54.840 -0.551 0.000 0.754 517 L CB -0.568 40.987 42.059 -0.840 0.000 0.893 517 L HN 0.336 nan 8.230 nan 0.000 0.433 518 L N -0.817 120.291 121.223 -0.192 0.000 2.275 518 L HA -0.172 4.170 4.340 0.004 0.000 0.215 518 L C 2.264 179.097 176.870 -0.060 0.000 1.119 518 L CA 1.047 55.840 54.840 -0.078 0.000 0.790 518 L CB -0.220 41.824 42.059 -0.024 0.000 0.919 518 L HN 0.384 nan 8.230 nan 0.000 0.443 519 Q N -1.536 118.141 119.800 -0.205 0.000 2.280 519 Q HA 0.192 4.535 4.340 0.004 0.000 0.228 519 Q C -0.014 175.572 176.000 -0.690 0.000 0.857 519 Q CA 0.079 55.727 55.803 -0.258 0.000 0.939 519 Q CB 1.041 29.737 28.738 -0.070 0.000 1.114 519 Q HN 0.444 nan 8.270 nan 0.000 0.514 520 Q N -0.228 119.123 119.800 -0.749 0.000 2.379 520 Q HA 0.460 4.803 4.340 0.004 0.000 0.278 520 Q C -1.303 174.566 176.000 -0.218 0.000 1.068 520 Q CA -0.419 55.022 55.803 -0.604 0.000 0.816 520 Q CB 2.712 31.233 28.738 -0.361 0.000 1.387 520 Q HN -0.062 nan 8.270 nan 0.000 0.413 521 S N 1.940 117.580 115.700 -0.099 0.000 2.651 521 S HA 0.587 5.059 4.470 0.004 0.000 0.291 521 S C -2.438 171.935 174.600 -0.378 0.000 1.141 521 S CA -1.154 56.927 58.200 -0.199 0.000 1.027 521 S CB 1.007 64.152 63.200 -0.093 0.000 1.043 521 S HN 0.412 nan 8.310 nan 0.000 0.530 522 P HA 0.388 nan 4.420 nan 0.000 0.280 522 P C -1.073 176.025 177.300 -0.338 0.000 1.300 522 P CA -0.062 62.633 63.100 -0.676 0.000 0.785 522 P CB 0.452 31.460 31.700 -1.154 0.000 0.874 523 V N 0.000 119.812 119.914 -0.170 0.000 2.409 523 V HA 0.000 4.123 4.120 0.004 0.000 0.244 523 V CA 0.000 62.237 62.300 -0.104 0.000 1.235 523 V CB 0.000 31.776 31.823 -0.078 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556