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 2j9p_1_B DATA FIRST_RESID 5 DATA SEQUENCE DALSGQIDKI LADHPALEGA MAGITVRSAE TGAVLYEHSG DTRMRPASSL DATA SEQUENCE KLLTAAAALS VLGENYSFTT EVRTDGTLKG KKLNGNLYLK GKGDPTLLPS DATA SEQUENCE DFDKMAEILK HSGVKVIKGN LIGDDTWHDD MRLSPDMPWS DEYTYYGAPI DATA SEQUENCE SALTASPNED YDAGTVIVEV TPNQKEGEEP AVSVSPKTDY ITIKNDAKTT DATA SEQUENCE AAGSEKDLTI EREHGTNTIT IEGSVPVDAN KTKEWISVWE PAGYALDLFK DATA SEQUENCE QSLKKQGITV KGDIKTGEAP SSSDVLLSHR SMPLSKLFVP FMKLSNNGHA DATA SEQUENCE EVLVKEMGKV KKGEGSWEKG LEVLNSTLPE FGVDSKSLVL RDGSGISHID DATA SEQUENCE AVSSDQLSQL LYDIQDQSWF SAYLNSLPVA GNPDRMVGGT LRNRMKGTPA DATA SEQUENCE QGKVRAKTGS LSTVSSLSGY AETKSGKKLV FSILLNGLID EEDGKDIEDQ DATA SEQUENCE IAVILANQ 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.321 176.300 0.035 0.000 2.045 5 D CA 0.000 54.022 54.000 0.037 0.000 0.868 5 D CB 0.000 40.833 40.800 0.054 0.000 0.688 6 A N 2.701 125.534 122.820 0.022 0.000 1.930 6 A HA -0.076 4.245 4.320 0.001 0.000 0.217 6 A C 1.944 179.529 177.584 0.000 0.000 1.175 6 A CA 1.271 53.313 52.037 0.009 0.000 0.627 6 A CB -0.319 18.682 19.000 0.002 0.000 0.815 6 A HN 0.508 nan 8.150 nan 0.000 0.443 7 L N 0.245 121.472 121.223 0.007 0.000 1.961 7 L HA -0.139 4.202 4.340 0.001 0.000 0.210 7 L C 2.547 179.394 176.870 -0.039 0.000 1.072 7 L CA 2.632 57.458 54.840 -0.024 0.000 0.749 7 L CB -1.074 40.992 42.059 0.011 0.000 0.889 7 L HN 0.342 nan 8.230 nan 0.000 0.432 8 S N 0.055 115.820 115.700 0.109 0.000 2.414 8 S HA -0.293 4.177 4.470 0.001 0.000 0.238 8 S C 1.891 176.566 174.600 0.124 0.000 1.055 8 S CA 1.737 60.102 58.200 0.274 0.000 1.174 8 S CB -1.589 61.773 63.200 0.270 0.000 1.087 8 S HN 0.730 nan 8.310 nan 0.000 0.428 9 G N 0.306 109.152 108.800 0.078 0.000 2.450 9 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 9 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 9 G C 1.312 176.205 174.900 -0.012 0.000 1.130 9 G CA 0.918 46.044 45.100 0.043 0.000 0.760 9 G HN 0.534 nan 8.290 nan 0.000 0.557 10 Q N -0.555 119.213 119.800 -0.052 0.000 2.167 10 Q HA 0.053 4.393 4.340 0.001 0.000 0.202 10 Q C 2.481 178.401 176.000 -0.135 0.000 0.970 10 Q CA 0.909 56.662 55.803 -0.084 0.000 0.855 10 Q CB -0.095 28.589 28.738 -0.091 0.000 0.911 10 Q HN 0.603 nan 8.270 nan 0.000 0.438 11 I N 0.004 120.436 120.570 -0.231 0.000 2.703 11 I HA -0.147 4.023 4.170 0.001 0.000 0.259 11 I C 1.309 177.330 176.117 -0.160 0.000 1.151 11 I CA 0.427 61.536 61.300 -0.319 0.000 1.470 11 I CB -0.099 37.444 38.000 -0.762 0.000 1.112 11 I HN 0.060 nan 8.210 nan 0.000 0.437 12 D N 1.507 121.885 120.400 -0.037 0.000 2.218 12 D HA -0.189 4.451 4.640 0.001 0.000 0.204 12 D C 2.050 178.362 176.300 0.020 0.000 0.976 12 D CA 1.085 55.129 54.000 0.072 0.000 0.853 12 D CB -0.028 40.855 40.800 0.138 0.000 0.939 12 D HN 0.316 nan 8.370 nan 0.000 0.481 13 K N 0.358 120.751 120.400 -0.011 0.000 2.062 13 K HA -0.117 4.204 4.320 0.001 0.000 0.205 13 K C 2.067 178.654 176.600 -0.022 0.000 1.051 13 K CA 0.490 56.769 56.287 -0.013 0.000 0.941 13 K CB 0.005 32.491 32.500 -0.022 0.000 0.719 13 K HN -0.086 nan 8.250 nan 0.000 0.440 14 I N 1.843 122.384 120.570 -0.047 0.000 2.163 14 I HA -0.285 3.886 4.170 0.001 0.000 0.243 14 I C 2.073 178.177 176.117 -0.021 0.000 1.085 14 I CA 1.208 62.481 61.300 -0.045 0.000 1.347 14 I CB -0.355 37.597 38.000 -0.080 0.000 1.044 14 I HN 0.175 nan 8.210 nan 0.000 0.408 15 L N -0.227 120.971 121.223 -0.040 0.000 1.925 15 L HA -0.224 4.116 4.340 0.001 0.000 0.215 15 L C 2.628 179.499 176.870 0.001 0.000 1.082 15 L CA 1.587 56.403 54.840 -0.041 0.000 0.764 15 L CB -1.211 40.797 42.059 -0.084 0.000 0.887 15 L HN 0.211 nan 8.230 nan 0.000 0.432 16 A N -0.545 122.280 122.820 0.010 0.000 2.171 16 A HA -0.283 4.038 4.320 0.001 0.000 0.223 16 A C 1.446 179.048 177.584 0.030 0.000 1.166 16 A CA 2.364 54.416 52.037 0.024 0.000 0.668 16 A CB -0.705 18.312 19.000 0.028 0.000 0.807 16 A HN 0.505 nan 8.150 nan 0.000 0.475 17 D N -2.241 118.178 120.400 0.033 0.000 2.388 17 D HA 0.194 4.835 4.640 0.001 0.000 0.221 17 D C 0.020 176.368 176.300 0.080 0.000 1.133 17 D CA 0.189 54.211 54.000 0.035 0.000 0.831 17 D CB -0.091 40.712 40.800 0.005 0.000 0.962 17 D HN 0.720 nan 8.370 nan 0.000 0.502 18 H N -0.224 118.834 119.070 -0.021 0.000 2.924 18 H HA 0.185 4.742 4.556 0.001 0.000 0.333 18 H C -1.868 173.451 175.328 -0.016 0.000 0.979 18 H CA -1.960 54.076 56.048 -0.020 0.000 1.326 18 H CB 2.309 32.055 29.762 -0.027 0.000 1.600 18 H HN -0.183 nan 8.280 nan 0.000 0.520 19 P HA -0.106 nan 4.420 nan 0.000 0.228 19 P C 1.023 178.291 177.300 -0.053 0.000 1.151 19 P CA 0.933 64.086 63.100 0.089 0.000 0.770 19 P CB 0.185 31.954 31.700 0.114 0.000 0.786 20 A N 0.332 122.965 122.820 -0.313 0.000 2.015 20 A HA -0.060 4.261 4.320 0.001 0.000 0.219 20 A C 2.165 179.605 177.584 -0.240 0.000 1.163 20 A CA 0.808 52.624 52.037 -0.369 0.000 0.646 20 A CB -1.261 17.306 19.000 -0.721 0.000 0.806 20 A HN 0.195 nan 8.150 nan 0.000 0.448 21 L N -0.073 121.019 121.223 -0.218 0.000 2.599 21 L HA 0.045 4.386 4.340 0.001 0.000 0.230 21 L C 0.242 177.076 176.870 -0.060 0.000 1.141 21 L CA -0.057 54.712 54.840 -0.119 0.000 0.877 21 L CB -0.345 41.656 42.059 -0.097 0.000 1.009 21 L HN 0.379 nan 8.230 nan 0.000 0.447 22 E N 0.446 120.616 120.200 -0.051 0.000 2.324 22 E HA 0.199 4.549 4.350 0.001 0.000 0.271 22 E C 1.085 177.673 176.600 -0.019 0.000 1.028 22 E CA 0.528 56.915 56.400 -0.021 0.000 0.890 22 E CB 0.716 30.409 29.700 -0.011 0.000 1.004 22 E HN 0.297 nan 8.360 nan 0.000 0.431 23 G N 2.387 111.182 108.800 -0.007 0.000 2.189 23 G HA2 -0.340 3.620 3.960 0.001 0.000 0.267 23 G HA3 -0.340 3.620 3.960 0.001 0.000 0.267 23 G C 0.369 175.266 174.900 -0.006 0.000 0.975 23 G CA 0.299 45.396 45.100 -0.004 0.000 0.644 23 G HN 0.729 nan 8.290 nan 0.000 0.537 24 A N -0.307 122.505 122.820 -0.013 0.000 2.298 24 A HA 1.013 5.333 4.320 0.001 0.000 0.302 24 A C 0.259 177.844 177.584 0.003 0.000 1.177 24 A CA 0.148 52.176 52.037 -0.015 0.000 0.912 24 A CB 0.683 19.659 19.000 -0.040 0.000 1.331 24 A HN 1.505 nan 8.150 nan 0.000 0.504 25 M N -1.676 117.928 119.600 0.006 0.000 2.433 25 M HA 0.781 5.262 4.480 0.001 0.000 0.290 25 M C -0.910 175.403 176.300 0.023 0.000 1.173 25 M CA -0.661 54.658 55.300 0.032 0.000 0.905 25 M CB 2.318 34.942 32.600 0.039 0.000 1.692 25 M HN 1.037 nan 8.290 nan 0.000 0.462 26 A N 1.347 124.194 122.820 0.044 0.000 2.408 26 A HA 0.877 5.197 4.320 0.001 0.000 0.295 26 A C -0.526 177.123 177.584 0.108 0.000 1.040 26 A CA -0.470 51.575 52.037 0.014 0.000 0.707 26 A CB 1.618 20.558 19.000 -0.099 0.000 1.235 26 A HN 1.143 nan 8.150 nan 0.000 0.418 27 G N 1.358 110.218 108.800 0.100 0.000 2.422 27 G HA2 0.614 4.574 3.960 0.001 0.000 0.317 27 G HA3 0.614 4.574 3.960 0.001 0.000 0.317 27 G C -0.814 174.165 174.900 0.131 0.000 1.210 27 G CA -0.379 44.806 45.100 0.142 0.000 0.930 27 G HN 0.667 nan 8.290 nan 0.000 0.468 28 I N 1.284 121.966 120.570 0.186 0.000 2.582 28 I HA 0.499 4.669 4.170 0.001 0.000 0.292 28 I C -0.523 175.729 176.117 0.224 0.000 1.066 28 I CA -0.654 60.773 61.300 0.212 0.000 1.053 28 I CB 2.987 41.153 38.000 0.276 0.000 1.241 28 I HN 0.294 nan 8.210 nan 0.000 0.421 29 T N 4.591 119.273 114.554 0.213 0.000 2.991 29 T HA 0.444 4.794 4.350 0.001 0.000 0.303 29 T C -0.865 173.965 174.700 0.216 0.000 1.015 29 T CA -0.453 61.755 62.100 0.179 0.000 1.007 29 T CB 2.218 71.147 68.868 0.101 0.000 1.034 29 T HN 0.183 nan 8.240 nan 0.000 0.446 30 V N 4.594 124.640 119.914 0.220 0.000 2.349 30 V HA 0.490 4.610 4.120 0.001 0.000 0.284 30 V C 0.006 176.178 176.094 0.132 0.000 1.014 30 V CA -0.799 61.624 62.300 0.205 0.000 0.826 30 V CB 1.214 33.158 31.823 0.202 0.000 1.009 30 V HN 0.693 nan 8.190 nan 0.000 0.431 31 R N 2.393 122.954 120.500 0.102 0.000 2.720 31 R HA 0.660 5.000 4.340 0.001 0.000 0.272 31 R C 0.156 176.492 176.300 0.060 0.000 0.991 31 R CA -0.531 55.589 56.100 0.033 0.000 1.010 31 R CB 1.792 32.077 30.300 -0.025 0.000 1.141 31 R HN 0.732 nan 8.270 nan 0.000 0.494 32 S N 0.452 116.161 115.700 0.015 0.000 2.513 32 S HA 0.237 4.707 4.470 0.001 0.000 0.276 32 S C 1.053 175.726 174.600 0.121 0.000 1.254 32 S CA -0.408 57.829 58.200 0.063 0.000 1.053 32 S CB 1.748 64.968 63.200 0.033 0.000 0.958 32 S HN 0.751 nan 8.310 nan 0.000 0.491 33 A N 2.779 125.720 122.820 0.201 0.000 2.070 33 A HA -0.047 4.273 4.320 0.001 0.000 0.220 33 A C 1.918 179.679 177.584 0.296 0.000 1.159 33 A CA 1.576 53.791 52.037 0.298 0.000 0.656 33 A CB -0.691 18.448 19.000 0.232 0.000 0.800 33 A HN 0.897 nan 8.150 nan 0.000 0.453 34 E N -1.054 119.260 120.200 0.190 0.000 2.060 34 E HA -0.055 4.295 4.350 0.001 0.000 0.189 34 E C 2.187 178.905 176.600 0.197 0.000 0.974 34 E CA 1.623 58.117 56.400 0.156 0.000 0.808 34 E CB -0.056 29.693 29.700 0.081 0.000 0.768 34 E HN 0.742 nan 8.360 nan 0.000 0.453 35 T N -3.812 110.797 114.554 0.093 0.000 3.014 35 T HA 0.275 4.625 4.350 0.001 0.000 0.250 35 T C 1.538 176.080 174.700 -0.262 0.000 1.060 35 T CA 0.256 62.359 62.100 0.007 0.000 1.040 35 T CB 0.641 69.496 68.868 -0.023 0.000 0.971 35 T HN 0.253 nan 8.240 nan 0.000 0.497 36 G N 1.512 109.963 108.800 -0.582 0.000 2.176 36 G HA2 0.021 3.981 3.960 0.001 0.000 0.252 36 G HA3 0.021 3.981 3.960 0.001 0.000 0.252 36 G C 0.144 174.706 174.900 -0.563 0.000 1.024 36 G CA -0.104 44.191 45.100 -1.342 0.000 0.755 36 G HN 1.191 nan 8.290 nan 0.000 0.507 37 A N -0.262 122.390 122.820 -0.279 0.000 2.301 37 A HA 0.807 5.127 4.320 0.001 0.000 0.312 37 A C 0.749 178.281 177.584 -0.087 0.000 1.182 37 A CA 0.096 52.045 52.037 -0.148 0.000 0.826 37 A CB 1.209 20.156 19.000 -0.088 0.000 1.134 37 A HN 1.834 nan 8.150 nan 0.000 0.501 38 V N 2.565 122.442 119.914 -0.061 0.000 2.446 38 V HA 0.214 4.334 4.120 0.001 0.000 0.276 38 V C 0.737 176.835 176.094 0.005 0.000 1.030 38 V CA 0.152 62.440 62.300 -0.019 0.000 1.033 38 V CB -0.605 31.203 31.823 -0.025 0.000 0.993 38 V HN 0.771 nan 8.190 nan 0.000 0.477 39 L N 3.431 124.683 121.223 0.049 0.000 2.298 39 L HA 0.381 4.721 4.340 0.001 0.000 0.209 39 L C 0.539 177.490 176.870 0.135 0.000 1.084 39 L CA 0.611 55.496 54.840 0.074 0.000 0.816 39 L CB -0.083 42.026 42.059 0.083 0.000 0.967 39 L HN 0.727 nan 8.230 nan 0.000 0.460 40 Y N 0.606 120.917 120.300 0.018 0.000 2.457 40 Y HA 0.506 5.057 4.550 0.001 0.000 0.343 40 Y C -1.015 174.908 175.900 0.038 0.000 0.994 40 Y CA -0.977 57.139 58.100 0.027 0.000 1.031 40 Y CB 1.784 40.260 38.460 0.026 0.000 1.246 40 Y HN -0.066 nan 8.280 nan 0.000 0.449 41 E N 4.797 124.611 120.200 -0.644 0.000 2.291 41 E HA 0.202 4.553 4.350 0.001 0.000 0.276 41 E C -2.245 174.088 176.600 -0.445 0.000 0.896 41 E CA -0.659 55.533 56.400 -0.346 0.000 0.774 41 E CB 1.145 30.733 29.700 -0.187 0.000 1.227 41 E HN 0.781 nan 8.360 nan 0.000 0.413 42 H N 3.347 122.272 119.070 -0.242 0.000 3.036 42 H HA 0.212 4.768 4.556 0.001 0.000 0.295 42 H C -1.190 174.115 175.328 -0.038 0.000 1.124 42 H CA -0.025 55.945 56.048 -0.131 0.000 1.507 42 H CB 0.525 30.303 29.762 0.026 0.000 1.591 42 H HN 0.613 nan 8.280 nan 0.000 0.510 43 S N 2.589 118.221 115.700 -0.113 0.000 3.667 43 S HA -0.162 4.308 4.470 0.001 0.000 0.405 43 S C 1.314 175.935 174.600 0.035 0.000 0.913 43 S CA 0.707 58.894 58.200 -0.021 0.000 1.288 43 S CB -1.345 61.902 63.200 0.078 0.000 0.905 43 S HN 0.925 nan 8.310 nan 0.000 0.550 44 G N 0.959 109.760 108.800 0.002 0.000 3.042 44 G HA2 0.139 4.100 3.960 0.001 0.000 0.212 44 G HA3 0.139 4.100 3.960 0.001 0.000 0.212 44 G C 0.817 175.725 174.900 0.014 0.000 1.166 44 G CA 0.547 45.659 45.100 0.021 0.000 0.767 44 G HN 0.761 nan 8.290 nan 0.000 0.546 45 D N -0.464 119.937 120.400 0.001 0.000 2.398 45 D HA 0.022 4.663 4.640 0.001 0.000 0.210 45 D C 0.552 176.856 176.300 0.008 0.000 1.094 45 D CA -0.117 53.885 54.000 0.003 0.000 0.839 45 D CB -0.026 40.769 40.800 -0.008 0.000 0.963 45 D HN 0.021 nan 8.370 nan 0.000 0.506 46 T N 0.505 115.066 114.554 0.013 0.000 2.743 46 T HA 0.298 4.648 4.350 0.001 0.000 0.292 46 T C 0.103 174.817 174.700 0.022 0.000 0.972 46 T CA -0.703 61.407 62.100 0.016 0.000 0.967 46 T CB 0.606 69.484 68.868 0.016 0.000 0.926 46 T HN -0.042 nan 8.240 nan 0.000 0.459 47 R N 4.487 124.998 120.500 0.020 0.000 2.537 47 R HA 0.284 4.625 4.340 0.001 0.000 0.281 47 R C 0.010 176.323 176.300 0.021 0.000 0.988 47 R CA 0.591 56.703 56.100 0.021 0.000 1.077 47 R CB 0.210 30.521 30.300 0.019 0.000 0.932 47 R HN 0.623 nan 8.270 nan 0.000 0.409 48 M N 1.495 121.107 119.600 0.019 0.000 2.569 48 M HA 0.328 4.808 4.480 0.001 0.000 0.279 48 M C -0.496 175.806 176.300 0.003 0.000 1.253 48 M CA -0.911 54.399 55.300 0.016 0.000 0.867 48 M CB 2.804 35.417 32.600 0.021 0.000 1.727 48 M HN 0.361 nan 8.290 nan 0.000 0.467 49 R N 2.401 122.897 120.500 -0.006 0.000 2.399 49 R HA 0.096 4.436 4.340 0.001 0.000 0.324 49 R C -1.676 174.592 176.300 -0.053 0.000 1.030 49 R CA -0.852 55.223 56.100 -0.042 0.000 0.984 49 R CB 0.125 30.386 30.300 -0.065 0.000 0.961 49 R HN 0.324 nan 8.270 nan 0.000 0.433 50 P HA -0.001 nan 4.420 nan 0.000 0.239 50 P C 0.214 177.470 177.300 -0.073 0.000 1.188 50 P CA 0.932 64.004 63.100 -0.046 0.000 0.794 50 P CB 0.435 32.119 31.700 -0.028 0.000 0.937 51 A N 0.468 123.222 122.820 -0.109 0.000 5.699 51 A HA -0.256 4.064 4.320 0.001 0.000 0.280 51 A C 1.811 179.335 177.584 -0.100 0.000 2.071 51 A CA 1.429 53.386 52.037 -0.134 0.000 0.714 51 A CB -2.438 16.480 19.000 -0.137 0.000 1.162 51 A HN 0.162 nan 8.150 nan 0.000 0.363 52 S N -0.223 115.414 115.700 -0.104 0.000 2.469 52 S HA -0.039 4.431 4.470 0.001 0.000 0.238 52 S C 1.942 176.481 174.600 -0.102 0.000 0.998 52 S CA 1.517 59.657 58.200 -0.101 0.000 0.957 52 S CB -0.394 62.735 63.200 -0.118 0.000 0.764 52 S HN 0.859 nan 8.310 nan 0.000 0.514 53 S N 1.612 117.261 115.700 -0.085 0.000 2.440 53 S HA -0.068 4.402 4.470 0.001 0.000 0.238 53 S C 1.660 176.227 174.600 -0.056 0.000 1.010 53 S CA 0.608 58.762 58.200 -0.077 0.000 0.972 53 S CB -0.360 62.807 63.200 -0.056 0.000 0.774 53 S HN 0.430 nan 8.310 nan 0.000 0.501 54 L N 1.950 123.148 121.223 -0.041 0.000 2.261 54 L HA -0.021 4.319 4.340 0.001 0.000 0.216 54 L C 1.670 178.544 176.870 0.006 0.000 1.114 54 L CA 1.670 56.505 54.840 -0.009 0.000 0.777 54 L CB -0.462 41.595 42.059 -0.003 0.000 0.910 54 L HN 0.104 nan 8.230 nan 0.000 0.440 55 K N -1.139 119.237 120.400 -0.039 0.000 2.442 55 K HA -0.106 4.215 4.320 0.001 0.000 0.198 55 K C 1.721 178.285 176.600 -0.060 0.000 1.042 55 K CA 0.551 56.802 56.287 -0.060 0.000 0.958 55 K CB -0.111 32.222 32.500 -0.278 0.000 0.766 55 K HN 0.227 nan 8.250 nan 0.000 0.474 56 L N 0.513 121.720 121.223 -0.026 0.000 2.291 56 L HA -0.071 4.269 4.340 0.001 0.000 0.214 56 L C 1.648 178.615 176.870 0.162 0.000 1.120 56 L CA 1.405 56.290 54.840 0.075 0.000 0.799 56 L CB -0.118 41.970 42.059 0.049 0.000 0.925 56 L HN 0.146 nan 8.230 nan 0.000 0.446 57 L N -2.549 118.738 121.223 0.106 0.000 2.221 57 L HA -0.025 4.315 4.340 0.001 0.000 0.202 57 L C 2.213 179.164 176.870 0.136 0.000 1.074 57 L CA 0.700 55.608 54.840 0.113 0.000 0.795 57 L CB -0.861 41.257 42.059 0.098 0.000 0.960 57 L HN 0.094 nan 8.230 nan 0.000 0.458 58 T N 0.530 115.167 114.554 0.137 0.000 2.674 58 T HA -0.187 4.163 4.350 0.001 0.000 0.265 58 T C 2.088 176.897 174.700 0.182 0.000 1.039 58 T CA 1.435 63.627 62.100 0.152 0.000 1.150 58 T CB -0.333 68.644 68.868 0.181 0.000 0.864 58 T HN 0.389 nan 8.240 nan 0.000 0.427 59 A N 1.891 124.842 122.820 0.218 0.000 1.859 59 A HA -0.003 4.318 4.320 0.001 0.000 0.217 59 A C 2.708 180.508 177.584 0.359 0.000 1.198 59 A CA 2.281 54.510 52.037 0.320 0.000 0.629 59 A CB -1.385 17.747 19.000 0.219 0.000 0.830 59 A HN 0.545 nan 8.150 nan 0.000 0.446 60 A N -0.728 122.266 122.820 0.290 0.000 1.978 60 A HA 0.153 4.474 4.320 0.001 0.000 0.220 60 A C 2.376 179.886 177.584 -0.123 0.000 1.170 60 A CA 2.191 54.161 52.037 -0.112 0.000 0.636 60 A CB -0.781 18.081 19.000 -0.230 0.000 0.810 60 A HN 1.161 nan 8.150 nan 0.000 0.448 61 A N -0.910 121.958 122.820 0.081 0.000 2.072 61 A HA 0.454 4.774 4.320 0.001 0.000 0.216 61 A C 2.239 179.833 177.584 0.017 0.000 1.156 61 A CA 1.254 53.378 52.037 0.145 0.000 0.701 61 A CB -0.516 18.584 19.000 0.168 0.000 0.816 61 A HN 0.926 nan 8.150 nan 0.000 0.458 62 A N -0.730 122.097 122.820 0.012 0.000 2.123 62 A HA 0.300 4.621 4.320 0.001 0.000 0.214 62 A C 1.915 179.403 177.584 -0.161 0.000 1.152 62 A CA 0.743 52.771 52.037 -0.015 0.000 0.728 62 A CB -0.276 18.811 19.000 0.144 0.000 0.814 62 A HN 0.433 nan 8.150 nan 0.000 0.464 63 L N -1.623 119.383 121.223 -0.362 0.000 2.316 63 L HA 0.063 4.403 4.340 0.001 0.000 0.207 63 L C 2.390 178.850 176.870 -0.684 0.000 1.070 63 L CA 1.033 55.455 54.840 -0.696 0.000 0.820 63 L CB -0.041 41.269 42.059 -1.247 0.000 0.992 63 L HN 0.378 nan 8.230 nan 0.000 0.466 64 S N -1.094 114.286 115.700 -0.533 0.000 2.660 64 S HA 0.041 4.511 4.470 0.001 0.000 0.223 64 S C 1.146 175.737 174.600 -0.015 0.000 0.963 64 S CA 0.216 58.391 58.200 -0.043 0.000 0.932 64 S CB 0.071 63.497 63.200 0.376 0.000 0.775 64 S HN 0.169 nan 8.310 nan 0.000 0.531 65 V N 0.043 119.897 119.914 -0.099 0.000 3.279 65 V HA 0.218 4.338 4.120 0.001 0.000 0.213 65 V C 1.623 177.649 176.094 -0.115 0.000 1.335 65 V CA -0.036 62.218 62.300 -0.077 0.000 1.317 65 V CB -0.040 31.739 31.823 -0.074 0.000 1.209 65 V HN 0.294 nan 8.190 nan 0.000 0.525 66 L N 0.769 121.858 121.223 -0.222 0.000 2.270 66 L HA 0.412 4.752 4.340 0.001 0.000 0.210 66 L C 1.129 177.946 176.870 -0.088 0.000 1.104 66 L CA 1.937 56.572 54.840 -0.341 0.000 0.804 66 L CB -1.543 39.963 42.059 -0.921 0.000 0.937 66 L HN 0.635 nan 8.230 nan 0.000 0.450 67 G N 0.721 109.443 108.800 -0.130 0.000 2.663 67 G HA2 -0.185 3.775 3.960 0.001 0.000 0.686 67 G HA3 -0.185 3.775 3.960 0.001 0.000 0.686 67 G C 0.618 175.460 174.900 -0.097 0.000 1.246 67 G CA 0.033 45.096 45.100 -0.062 0.000 0.795 67 G HN 0.411 nan 8.290 nan 0.000 0.627 68 E N -0.378 119.778 120.200 -0.073 0.000 2.358 68 E HA -0.011 4.340 4.350 0.001 0.000 0.195 68 E C 1.309 177.866 176.600 -0.072 0.000 1.010 68 E CA 0.828 57.160 56.400 -0.113 0.000 0.856 68 E CB 0.075 29.764 29.700 -0.019 0.000 0.795 68 E HN 0.315 nan 8.360 nan 0.000 0.504 69 N N 0.148 118.833 118.700 -0.025 0.000 2.280 69 N HA 0.002 4.742 4.740 0.001 0.000 0.192 69 N C -0.590 174.888 175.510 -0.054 0.000 1.109 69 N CA -0.053 52.974 53.050 -0.039 0.000 0.855 69 N CB 0.050 38.517 38.487 -0.034 0.000 0.974 69 N HN 0.201 nan 8.380 nan 0.000 0.482 70 Y N 1.325 121.528 120.300 -0.162 0.000 2.550 70 Y HA 0.083 4.633 4.550 0.001 0.000 0.343 70 Y C 0.422 176.177 175.900 -0.241 0.000 1.245 70 Y CA 0.477 58.453 58.100 -0.208 0.000 1.462 70 Y CB 0.589 38.901 38.460 -0.246 0.000 1.340 70 Y HN -0.195 nan 8.280 nan 0.000 0.604 71 S N 4.569 119.867 115.700 -0.670 0.000 2.562 71 S HA 0.434 4.905 4.470 0.001 0.000 0.274 71 S C -1.464 172.838 174.600 -0.498 0.000 1.160 71 S CA -0.792 57.173 58.200 -0.391 0.000 0.933 71 S CB 0.068 63.107 63.200 -0.267 0.000 1.100 71 S HN 0.489 nan 8.310 nan 0.000 0.468 72 F N 3.085 122.990 119.950 -0.075 0.000 2.471 72 F HA 0.386 4.913 4.527 0.000 0.000 0.353 72 F C 1.555 177.251 175.800 -0.173 0.000 1.113 72 F CA 0.184 58.136 58.000 -0.080 0.000 1.262 72 F CB 1.090 40.075 39.000 -0.024 0.000 1.146 72 F HN 0.570 nan 8.300 nan 0.000 0.578 73 T N -1.114 113.382 114.554 -0.098 0.000 2.942 73 T HA 0.803 5.153 4.350 0.001 0.000 0.289 73 T C -0.489 174.108 174.700 -0.173 0.000 1.044 73 T CA -0.824 61.184 62.100 -0.153 0.000 1.023 73 T CB 1.878 70.594 68.868 -0.254 0.000 1.123 73 T HN 0.487 nan 8.240 nan 0.000 0.512 74 T N 1.212 115.689 114.554 -0.129 0.000 2.903 74 T HA 0.623 4.973 4.350 0.001 0.000 0.299 74 T C -1.222 173.390 174.700 -0.146 0.000 1.093 74 T CA -0.853 61.146 62.100 -0.168 0.000 1.002 74 T CB 1.904 70.640 68.868 -0.220 0.000 1.127 74 T HN 0.777 nan 8.240 nan 0.000 0.488 75 E N 0.696 120.808 120.200 -0.147 0.000 2.356 75 E HA 0.645 4.995 4.350 0.001 0.000 0.275 75 E C -1.464 175.093 176.600 -0.071 0.000 0.904 75 E CA -0.945 55.394 56.400 -0.102 0.000 0.757 75 E CB 2.679 32.322 29.700 -0.097 0.000 1.232 75 E HN 0.223 nan 8.360 nan 0.000 0.442 76 V N 2.670 122.568 119.914 -0.026 0.000 2.495 76 V HA 0.618 4.738 4.120 0.001 0.000 0.298 76 V C -0.115 176.031 176.094 0.086 0.000 1.031 76 V CA -0.589 61.743 62.300 0.053 0.000 0.871 76 V CB 1.380 33.259 31.823 0.092 0.000 0.988 76 V HN 0.678 nan 8.190 nan 0.000 0.432 77 R N 2.134 122.723 120.500 0.148 0.000 2.781 77 R HA 0.833 5.173 4.340 0.001 0.000 0.268 77 R C -0.935 175.500 176.300 0.225 0.000 1.047 77 R CA -0.590 55.584 56.100 0.124 0.000 0.925 77 R CB 2.094 32.416 30.300 0.036 0.000 1.246 77 R HN 0.562 nan 8.270 nan 0.000 0.456 78 T N -1.959 112.695 114.554 0.167 0.000 2.587 78 T HA 0.293 4.644 4.350 0.001 0.000 0.282 78 T C -0.771 174.016 174.700 0.146 0.000 1.018 78 T CA -0.152 62.088 62.100 0.233 0.000 1.120 78 T CB 1.429 70.389 68.868 0.153 0.000 1.538 78 T HN 0.588 nan 8.240 nan 0.000 0.480 79 D N -0.394 120.094 120.400 0.147 0.000 2.845 79 D HA 0.294 4.934 4.640 0.001 0.000 0.272 79 D C 1.575 177.906 176.300 0.052 0.000 1.275 79 D CA 1.211 55.267 54.000 0.093 0.000 1.029 79 D CB -0.448 40.422 40.800 0.118 0.000 1.131 79 D HN 0.613 nan 8.370 nan 0.000 0.423 80 G N -0.445 108.386 108.800 0.051 0.000 3.104 80 G HA2 0.243 4.204 3.960 0.001 0.000 0.237 80 G HA3 0.243 4.204 3.960 0.001 0.000 0.237 80 G C 0.309 175.228 174.900 0.032 0.000 1.035 80 G CA 0.736 45.857 45.100 0.034 0.000 0.844 80 G HN 0.477 nan 8.290 nan 0.000 0.531 81 T N -1.537 113.040 114.554 0.039 0.000 0.541 81 T HA -0.177 4.173 4.350 0.001 0.000 0.774 81 T C -0.448 174.268 174.700 0.025 0.000 0.992 81 T CA 0.666 62.787 62.100 0.034 0.000 4.077 81 T CB -0.755 68.132 68.868 0.032 0.000 2.303 81 T HN 1.461 nan 8.240 nan 0.000 0.398 82 L N -0.275 120.961 121.223 0.022 0.000 3.349 82 L HA 0.461 4.801 4.340 0.001 0.000 0.265 82 L C -1.242 175.637 176.870 0.015 0.000 0.964 82 L CA -0.913 53.937 54.840 0.017 0.000 1.103 82 L CB 1.148 43.216 42.059 0.015 0.000 1.838 82 L HN 1.233 nan 8.230 nan 0.000 0.527 83 K N 3.682 124.089 120.400 0.013 0.000 2.267 83 K HA 0.821 5.142 4.320 0.001 0.000 0.282 83 K C 0.053 176.658 176.600 0.008 0.000 1.078 83 K CA 0.327 56.621 56.287 0.012 0.000 0.903 83 K CB 1.490 33.997 32.500 0.011 0.000 1.111 83 K HN 0.843 nan 8.250 nan 0.000 0.475 84 G N 3.355 112.160 108.800 0.007 0.000 2.313 84 G HA2 -0.124 3.836 3.960 0.001 0.000 0.098 84 G HA3 -0.124 3.836 3.960 0.001 0.000 0.098 84 G C 0.226 175.127 174.900 0.002 0.000 1.736 84 G CA 0.099 45.201 45.100 0.004 0.000 1.073 84 G HN 0.544 nan 8.290 nan 0.000 0.293 85 K N 0.188 120.589 120.400 0.002 0.000 2.603 85 K HA 0.239 4.559 4.320 0.001 0.000 0.216 85 K C -0.230 176.369 176.600 -0.001 0.000 1.562 85 K CA 0.164 56.451 56.287 -0.001 0.000 1.012 85 K CB 0.526 33.024 32.500 -0.004 0.000 1.280 85 K HN 0.400 nan 8.250 nan 0.000 0.620 86 K N 1.046 121.447 120.400 0.002 0.000 2.375 86 K HA 0.243 4.564 4.320 0.001 0.000 0.249 86 K C -0.544 176.060 176.600 0.007 0.000 0.942 86 K CA -0.833 55.455 56.287 0.001 0.000 0.806 86 K CB 1.778 34.279 32.500 0.000 0.000 1.227 86 K HN -0.008 nan 8.250 nan 0.000 0.430 87 L N 1.062 122.289 121.223 0.007 0.000 2.867 87 L HA 0.382 4.722 4.340 0.001 0.000 0.158 87 L C -0.246 176.634 176.870 0.017 0.000 1.387 87 L CA 0.537 55.386 54.840 0.015 0.000 1.696 87 L CB -0.307 41.761 42.059 0.015 0.000 2.480 87 L HN 1.052 nan 8.230 nan 0.000 0.522 88 N N -0.325 118.390 118.700 0.025 0.000 2.776 88 N HA 0.432 5.172 4.740 0.001 0.000 0.215 88 N C -0.782 174.751 175.510 0.038 0.000 1.347 88 N CA 0.612 53.678 53.050 0.026 0.000 1.323 88 N CB 0.091 38.593 38.487 0.025 0.000 1.547 88 N HN 1.055 nan 8.380 nan 0.000 0.582 89 G N 0.296 109.118 108.800 0.036 0.000 2.339 89 G HA2 0.018 3.979 3.960 0.001 0.000 0.275 89 G HA3 0.018 3.979 3.960 0.001 0.000 0.275 89 G C -1.607 173.315 174.900 0.037 0.000 1.323 89 G CA -0.976 44.155 45.100 0.052 0.000 0.927 89 G HN 0.308 nan 8.290 nan 0.000 0.486 90 N N -0.709 118.022 118.700 0.052 0.000 2.483 90 N HA 0.599 5.339 4.740 0.001 0.000 0.269 90 N C -0.543 174.934 175.510 -0.055 0.000 1.209 90 N CA -0.375 52.619 53.050 -0.093 0.000 0.969 90 N CB 1.734 40.040 38.487 -0.302 0.000 1.173 90 N HN 0.544 nan 8.380 nan 0.000 0.475 91 L N 1.999 123.120 121.223 -0.170 0.000 2.313 91 L HA 0.470 4.810 4.340 0.001 0.000 0.283 91 L C -1.685 175.134 176.870 -0.085 0.000 1.013 91 L CA -0.636 54.209 54.840 0.008 0.000 0.816 91 L CB 0.253 42.323 42.059 0.017 0.000 1.236 91 L HN 0.457 nan 8.230 nan 0.000 0.419 92 Y N 5.045 125.407 120.300 0.103 0.000 2.446 92 Y HA 0.606 5.156 4.550 0.000 0.000 0.338 92 Y C -0.291 175.671 175.900 0.105 0.000 1.055 92 Y CA -1.004 57.153 58.100 0.094 0.000 1.101 92 Y CB 1.693 40.185 38.460 0.054 0.000 1.221 92 Y HN 0.460 nan 8.280 nan 0.000 0.460 93 L N 3.784 125.137 121.223 0.217 0.000 2.556 93 L HA 0.415 4.755 4.340 0.001 0.000 0.243 93 L C -0.506 176.386 176.870 0.037 0.000 1.331 93 L CA -0.806 54.073 54.840 0.064 0.000 0.927 93 L CB 0.192 42.254 42.059 0.006 0.000 1.219 93 L HN 0.548 nan 8.230 nan 0.000 0.490 94 K N 2.052 122.474 120.400 0.035 0.000 2.315 94 K HA 0.527 4.847 4.320 0.001 0.000 0.291 94 K C 0.344 176.898 176.600 -0.075 0.000 1.074 94 K CA -0.113 56.177 56.287 0.005 0.000 0.936 94 K CB 0.391 32.894 32.500 0.005 0.000 1.049 94 K HN 0.707 nan 8.250 nan 0.000 0.471 95 G N 3.168 111.927 108.800 -0.068 0.000 2.476 95 G HA2 0.169 4.129 3.960 0.001 0.000 0.269 95 G HA3 0.169 4.129 3.960 0.001 0.000 0.269 95 G C -0.423 174.355 174.900 -0.203 0.000 1.195 95 G CA -0.569 44.457 45.100 -0.122 0.000 0.843 95 G HN 0.697 nan 8.290 nan 0.000 0.545 96 K N 0.755 120.954 120.400 -0.336 0.000 3.084 96 K HA 0.365 4.685 4.320 0.001 0.000 0.210 96 K C 0.982 177.361 176.600 -0.368 0.000 1.137 96 K CA 0.165 55.991 56.287 -0.768 0.000 1.010 96 K CB 0.966 32.738 32.500 -1.214 0.000 0.806 96 K HN 0.933 nan 8.250 nan 0.000 0.460 97 G N 0.874 109.655 108.800 -0.031 0.000 2.238 97 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 97 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 97 G C -0.125 174.579 174.900 -0.326 0.000 0.996 97 G CA -0.281 44.908 45.100 0.148 0.000 0.632 97 G HN 0.442 nan 8.290 nan 0.000 0.503 98 D N 2.337 122.660 120.400 -0.128 0.000 2.426 98 D HA 0.271 4.912 4.640 0.001 0.000 0.261 98 D C -0.967 175.181 176.300 -0.254 0.000 1.245 98 D CA -0.557 53.326 54.000 -0.196 0.000 0.917 98 D CB 1.249 42.013 40.800 -0.060 0.000 1.123 98 D HN 0.298 nan 8.370 nan 0.000 0.508 99 P HA 0.079 nan 4.420 nan 0.000 0.269 99 P C 0.463 177.740 177.300 -0.037 0.000 1.478 99 P CA 0.074 63.087 63.100 -0.145 0.000 1.045 99 P CB 0.244 31.858 31.700 -0.143 0.000 1.512 100 T N -3.571 110.897 114.554 -0.144 0.000 3.054 100 T HA 0.210 4.560 4.350 0.001 0.000 0.255 100 T C 0.896 175.636 174.700 0.067 0.000 1.035 100 T CA -0.255 61.768 62.100 -0.128 0.000 0.941 100 T CB -0.412 68.065 68.868 -0.653 0.000 1.026 100 T HN -0.063 nan 8.240 nan 0.000 0.533 101 L N 2.418 123.589 121.223 -0.086 0.000 2.601 101 L HA 0.215 4.556 4.340 0.001 0.000 0.277 101 L C 0.023 176.825 176.870 -0.113 0.000 1.219 101 L CA 0.268 54.950 54.840 -0.264 0.000 0.915 101 L CB -0.048 41.718 42.059 -0.488 0.000 1.160 101 L HN 0.242 nan 8.230 nan 0.000 0.494 102 L N 5.152 126.297 121.223 -0.130 0.000 2.319 102 L HA 0.370 4.710 4.340 0.001 0.000 0.267 102 L C -1.553 175.325 176.870 0.013 0.000 1.011 102 L CA -1.806 53.040 54.840 0.010 0.000 0.818 102 L CB 1.602 43.698 42.059 0.061 0.000 1.316 102 L HN 0.269 nan 8.230 nan 0.000 0.432 103 P HA -0.188 nan 4.420 nan 0.000 0.217 103 P C 1.577 178.973 177.300 0.160 0.000 1.148 103 P CA 1.393 64.645 63.100 0.254 0.000 0.828 103 P CB 0.184 31.977 31.700 0.155 0.000 0.783 104 S N -1.157 114.589 115.700 0.076 0.000 2.399 104 S HA -0.197 4.274 4.470 0.001 0.000 0.231 104 S C 1.708 176.316 174.600 0.014 0.000 1.022 104 S CA 1.596 59.825 58.200 0.049 0.000 0.983 104 S CB -1.232 61.991 63.200 0.038 0.000 0.803 104 S HN 0.058 nan 8.310 nan 0.000 0.480 105 D N 0.768 121.123 120.400 -0.074 0.000 2.149 105 D HA 0.107 4.747 4.640 0.001 0.000 0.201 105 D C 1.493 177.658 176.300 -0.226 0.000 0.972 105 D CA 0.720 54.605 54.000 -0.192 0.000 0.835 105 D CB -0.501 40.064 40.800 -0.391 0.000 0.966 105 D HN 0.510 nan 8.370 nan 0.000 0.476 106 F N 1.241 121.154 119.950 -0.062 0.000 2.216 106 F HA -0.141 4.386 4.527 0.000 0.000 0.300 106 F C 2.065 177.916 175.800 0.086 0.000 1.085 106 F CA 0.656 58.649 58.000 -0.011 0.000 1.326 106 F CB 0.068 39.079 39.000 0.019 0.000 1.027 106 F HN -0.137 nan 8.300 nan 0.000 0.497 107 D N 0.254 120.780 120.400 0.210 0.000 2.084 107 D HA -0.191 4.449 4.640 0.001 0.000 0.196 107 D C 1.996 178.357 176.300 0.103 0.000 0.985 107 D CA 1.114 55.201 54.000 0.145 0.000 0.826 107 D CB -0.565 40.292 40.800 0.095 0.000 0.978 107 D HN 0.134 nan 8.370 nan 0.000 0.456 108 K N -0.043 120.390 120.400 0.055 0.000 2.442 108 K HA -0.078 4.242 4.320 0.001 0.000 0.199 108 K C 1.779 178.401 176.600 0.038 0.000 1.044 108 K CA 0.660 56.961 56.287 0.023 0.000 0.941 108 K CB 0.007 32.514 32.500 0.011 0.000 0.759 108 K HN 0.141 nan 8.250 nan 0.000 0.472 109 M N -1.124 118.527 119.600 0.084 0.000 2.466 109 M HA 0.044 4.524 4.480 0.001 0.000 0.265 109 M C 1.947 178.394 176.300 0.244 0.000 1.122 109 M CA 0.802 56.176 55.300 0.123 0.000 1.157 109 M CB 0.398 33.032 32.600 0.056 0.000 1.352 109 M HN 0.205 nan 8.290 nan 0.000 0.464 110 A N -0.528 122.457 122.820 0.275 0.000 2.147 110 A HA -0.034 4.286 4.320 0.001 0.000 0.211 110 A C 1.787 179.434 177.584 0.106 0.000 1.160 110 A CA 0.676 52.831 52.037 0.196 0.000 0.781 110 A CB -0.386 18.693 19.000 0.132 0.000 0.842 110 A HN 0.478 nan 8.150 nan 0.000 0.475 111 E N 0.431 120.675 120.200 0.073 0.000 2.268 111 E HA -0.129 4.221 4.350 0.001 0.000 0.195 111 E C 1.754 178.302 176.600 -0.087 0.000 0.995 111 E CA 1.334 57.735 56.400 0.002 0.000 0.836 111 E CB -0.168 29.503 29.700 -0.048 0.000 0.763 111 E HN 0.824 nan 8.360 nan 0.000 0.491 112 I N -2.515 118.035 120.570 -0.033 0.000 3.081 112 I HA -0.010 4.161 4.170 0.001 0.000 0.274 112 I C 1.815 177.977 176.117 0.075 0.000 1.178 112 I CA 0.226 61.507 61.300 -0.032 0.000 1.460 112 I CB -0.116 37.871 38.000 -0.021 0.000 1.137 112 I HN -0.012 nan 8.210 nan 0.000 0.443 113 L N 1.436 122.714 121.223 0.093 0.000 2.275 113 L HA -0.093 4.247 4.340 0.001 0.000 0.215 113 L C 2.651 179.578 176.870 0.095 0.000 1.119 113 L CA 1.311 56.208 54.840 0.095 0.000 0.790 113 L CB -0.545 41.574 42.059 0.100 0.000 0.919 113 L HN 0.363 nan 8.230 nan 0.000 0.443 114 K N -0.261 120.217 120.400 0.130 0.000 2.021 114 K HA -0.140 4.181 4.320 0.001 0.000 0.205 114 K C 2.011 178.706 176.600 0.160 0.000 1.047 114 K CA 0.968 57.336 56.287 0.134 0.000 0.943 114 K CB 0.002 32.604 32.500 0.169 0.000 0.725 114 K HN 0.212 nan 8.250 nan 0.000 0.439 115 H N -0.391 118.691 119.070 0.020 0.000 2.557 115 H HA -0.012 4.544 4.556 0.001 0.000 0.287 115 H C 1.284 176.622 175.328 0.016 0.000 1.043 115 H CA 0.931 56.989 56.048 0.017 0.000 1.226 115 H CB 0.126 29.899 29.762 0.018 0.000 1.361 115 H HN 0.045 nan 8.280 nan 0.000 0.592 116 S N -0.911 114.871 115.700 0.136 0.000 2.583 116 S HA 0.294 4.764 4.470 0.001 0.000 0.239 116 S C 1.665 176.296 174.600 0.051 0.000 0.966 116 S CA 0.441 58.690 58.200 0.080 0.000 0.973 116 S CB -0.583 62.661 63.200 0.072 0.000 0.794 116 S HN 0.743 nan 8.310 nan 0.000 0.463 117 G N 0.476 109.300 108.800 0.040 0.000 2.458 117 G HA2 -0.305 3.655 3.960 0.001 0.000 0.237 117 G HA3 -0.305 3.655 3.960 0.001 0.000 0.237 117 G C 0.256 175.166 174.900 0.018 0.000 1.113 117 G CA 0.160 45.272 45.100 0.019 0.000 0.655 117 G HN 0.701 nan 8.290 nan 0.000 0.513 118 V N 1.241 121.172 119.914 0.027 0.000 2.752 118 V HA 0.293 4.414 4.120 0.001 0.000 0.306 118 V C 1.396 177.496 176.094 0.009 0.000 1.099 118 V CA 2.139 64.450 62.300 0.018 0.000 1.240 118 V CB 1.372 33.210 31.823 0.025 0.000 0.887 118 V HN 0.646 nan 8.190 nan 0.000 0.499 119 K N 2.729 123.127 120.400 -0.003 0.000 2.598 119 K HA 0.396 4.716 4.320 0.001 0.000 0.214 119 K C -0.535 176.052 176.600 -0.021 0.000 1.575 119 K CA 0.084 56.365 56.287 -0.010 0.000 1.042 119 K CB 1.347 33.842 32.500 -0.008 0.000 1.338 119 K HN 0.477 nan 8.250 nan 0.000 0.590 120 V N 1.853 121.754 119.914 -0.021 0.000 2.851 120 V HA 0.406 4.526 4.120 0.001 0.000 0.307 120 V C -1.664 174.414 176.094 -0.028 0.000 1.129 120 V CA -0.953 61.330 62.300 -0.028 0.000 0.932 120 V CB 1.751 33.562 31.823 -0.021 0.000 1.024 120 V HN 0.087 nan 8.190 nan 0.000 0.426 121 I N 6.233 126.778 120.570 -0.041 0.000 2.337 121 I HA 0.370 4.540 4.170 0.001 0.000 0.291 121 I C 1.180 177.280 176.117 -0.028 0.000 1.046 121 I CA 0.442 61.719 61.300 -0.038 0.000 1.324 121 I CB 1.316 39.277 38.000 -0.065 0.000 1.409 121 I HN 0.543 nan 8.210 nan 0.000 0.494 122 K N 4.705 125.096 120.400 -0.014 0.000 2.630 122 K HA 0.253 4.573 4.320 0.001 0.000 0.204 122 K C 0.713 177.307 176.600 -0.009 0.000 1.024 122 K CA -0.092 56.191 56.287 -0.008 0.000 1.157 122 K CB 0.026 32.529 32.500 0.004 0.000 0.899 122 K HN 0.924 nan 8.250 nan 0.000 0.501 123 G N -0.101 108.684 108.800 -0.025 0.000 2.827 123 G HA2 0.146 4.107 3.960 0.001 0.000 0.202 123 G HA3 0.146 4.107 3.960 0.001 0.000 0.202 123 G C -1.288 173.574 174.900 -0.063 0.000 1.185 123 G CA -0.654 44.425 45.100 -0.035 0.000 0.920 123 G HN 0.014 nan 8.290 nan 0.000 0.550 124 N N 0.267 118.908 118.700 -0.098 0.000 2.466 124 N HA 0.417 5.157 4.740 0.001 0.000 0.294 124 N C -0.930 174.472 175.510 -0.179 0.000 1.129 124 N CA -0.453 52.526 53.050 -0.119 0.000 0.931 124 N CB 2.433 40.851 38.487 -0.115 0.000 1.193 124 N HN 0.334 nan 8.380 nan 0.000 0.500 125 L N 2.190 123.329 121.223 -0.140 0.000 2.292 125 L HA 0.502 4.842 4.340 0.001 0.000 0.284 125 L C -0.780 176.007 176.870 -0.137 0.000 1.065 125 L CA -0.346 54.414 54.840 -0.133 0.000 0.806 125 L CB 0.443 42.443 42.059 -0.098 0.000 1.175 125 L HN 0.418 nan 8.230 nan 0.000 0.431 126 I N 4.132 124.603 120.570 -0.164 0.000 2.512 126 I HA 0.296 4.466 4.170 0.001 0.000 0.287 126 I C 0.233 176.360 176.117 0.018 0.000 1.069 126 I CA -0.528 60.700 61.300 -0.120 0.000 1.056 126 I CB 2.064 39.890 38.000 -0.290 0.000 1.229 126 I HN 0.620 nan 8.210 nan 0.000 0.429 127 G N 3.588 112.413 108.800 0.041 0.000 2.325 127 G HA2 0.323 4.283 3.960 0.001 0.000 0.298 127 G HA3 0.323 4.283 3.960 0.001 0.000 0.298 127 G C -0.966 173.983 174.900 0.082 0.000 1.134 127 G CA -0.093 45.043 45.100 0.060 0.000 0.876 127 G HN 0.566 nan 8.290 nan 0.000 0.452 128 D N 1.852 122.309 120.400 0.095 0.000 2.453 128 D HA 0.194 4.834 4.640 0.001 0.000 0.238 128 D C -0.019 176.325 176.300 0.074 0.000 1.088 128 D CA -0.727 53.333 54.000 0.101 0.000 0.854 128 D CB 1.559 42.436 40.800 0.129 0.000 1.076 128 D HN 0.390 nan 8.370 nan 0.000 0.533 129 D N 0.998 121.444 120.400 0.077 0.000 2.424 129 D HA -0.042 4.598 4.640 0.001 0.000 0.220 129 D C 1.248 177.611 176.300 0.105 0.000 1.150 129 D CA -0.141 53.908 54.000 0.082 0.000 0.831 129 D CB -0.089 40.755 40.800 0.073 0.000 0.981 129 D HN 0.268 nan 8.370 nan 0.000 0.500 130 T N -4.097 110.522 114.554 0.108 0.000 3.155 130 T HA -0.158 4.192 4.350 0.001 0.000 0.264 130 T C 1.310 176.081 174.700 0.117 0.000 1.160 130 T CA -0.147 62.014 62.100 0.100 0.000 1.075 130 T CB -0.873 68.046 68.868 0.085 0.000 0.921 130 T HN 0.462 nan 8.240 nan 0.000 0.533 131 W N 1.930 123.167 121.300 -0.104 0.000 2.392 131 W HA -0.026 4.635 4.660 0.001 0.000 0.279 131 W C -0.181 176.200 176.519 -0.230 0.000 1.225 131 W CA 0.615 57.836 57.345 -0.207 0.000 1.233 131 W CB 0.109 29.375 29.460 -0.324 0.000 1.122 131 W HN 0.360 nan 8.180 nan 0.000 0.561 132 H N 0.121 119.217 119.070 0.043 0.000 2.821 132 H HA 0.138 4.694 4.556 0.001 0.000 0.373 132 H C -0.052 175.245 175.328 -0.052 0.000 1.165 132 H CA -0.468 55.531 56.048 -0.081 0.000 1.154 132 H CB 1.154 30.875 29.762 -0.068 0.000 1.765 132 H HN -0.101 nan 8.280 nan 0.000 0.549 133 D N -0.446 119.989 120.400 0.058 0.000 2.243 133 D HA -0.124 4.516 4.640 0.001 0.000 0.237 133 D C 0.460 176.791 176.300 0.052 0.000 1.364 133 D CA -0.102 53.919 54.000 0.036 0.000 0.927 133 D CB 0.444 41.256 40.800 0.020 0.000 1.216 133 D HN 0.623 nan 8.370 nan 0.000 0.517 134 D N -2.242 118.189 120.400 0.052 0.000 2.336 134 D HA 0.055 4.696 4.640 0.001 0.000 0.228 134 D C 0.194 176.533 176.300 0.065 0.000 1.120 134 D CA -0.356 53.674 54.000 0.051 0.000 0.839 134 D CB -0.569 40.257 40.800 0.044 0.000 0.932 134 D HN 0.280 nan 8.370 nan 0.000 0.509 135 M N 0.605 120.267 119.600 0.104 0.000 2.094 135 M HA 0.331 4.811 4.480 0.001 0.000 0.348 135 M C 0.635 177.099 176.300 0.273 0.000 1.267 135 M CA -0.518 54.899 55.300 0.195 0.000 1.125 135 M CB 0.853 33.634 32.600 0.301 0.000 1.527 135 M HN -0.253 nan 8.290 nan 0.000 0.447 136 R N 2.864 123.473 120.500 0.183 0.000 2.052 136 R HA 0.257 4.597 4.340 0.001 0.000 0.226 136 R C -0.209 176.279 176.300 0.313 0.000 1.145 136 R CA 1.150 57.354 56.100 0.173 0.000 0.952 136 R CB -0.260 30.032 30.300 -0.014 0.000 0.847 136 R HN 0.602 nan 8.270 nan 0.000 0.431 137 L N 1.313 122.633 121.223 0.162 0.000 2.375 137 L HA 0.279 4.619 4.340 0.001 0.000 0.271 137 L C 0.390 177.039 176.870 -0.369 0.000 1.107 137 L CA -0.788 54.068 54.840 0.026 0.000 0.806 137 L CB 1.334 43.392 42.059 -0.001 0.000 1.146 137 L HN 0.210 nan 8.230 nan 0.000 0.447 138 S N 1.218 116.573 115.700 -0.574 0.000 2.563 138 S HA 0.088 4.559 4.470 0.001 0.000 0.284 138 S C -1.746 172.399 174.600 -0.757 0.000 1.331 138 S CA -0.905 56.588 58.200 -1.178 0.000 1.047 138 S CB 0.525 63.382 63.200 -0.571 0.000 0.859 138 S HN 0.474 nan 8.310 nan 0.000 0.514 139 P HA -0.181 nan 4.420 nan 0.000 0.218 139 P C 0.294 177.467 177.300 -0.212 0.000 1.165 139 P CA 1.703 64.568 63.100 -0.392 0.000 0.922 139 P CB -0.043 31.457 31.700 -0.334 0.000 0.794 140 D N -2.187 118.104 120.400 -0.182 0.000 2.463 140 D HA 0.116 4.757 4.640 0.001 0.000 0.224 140 D C 0.553 176.819 176.300 -0.056 0.000 1.174 140 D CA -0.008 53.941 54.000 -0.084 0.000 0.829 140 D CB -0.577 40.193 40.800 -0.050 0.000 0.993 140 D HN 0.237 nan 8.370 nan 0.000 0.497 141 M N 1.913 121.462 119.600 -0.086 0.000 2.217 141 M HA 0.213 4.694 4.480 0.001 0.000 0.352 141 M C -2.375 173.912 176.300 -0.022 0.000 1.376 141 M CA -1.168 54.099 55.300 -0.055 0.000 1.107 141 M CB 0.824 33.374 32.600 -0.083 0.000 1.723 141 M HN -0.317 nan 8.290 nan 0.000 0.461 142 P HA -0.093 nan 4.420 nan 0.000 0.266 142 P C 0.247 177.474 177.300 -0.121 0.000 1.195 142 P CA -0.053 63.026 63.100 -0.034 0.000 0.768 142 P CB 0.161 31.805 31.700 -0.092 0.000 0.838 143 W N 2.744 123.997 121.300 -0.079 0.000 2.468 143 W HA -0.127 4.534 4.660 0.001 0.000 0.262 143 W C 0.691 177.106 176.519 -0.175 0.000 1.241 143 W CA 1.319 58.568 57.345 -0.159 0.000 1.232 143 W CB -2.010 27.301 29.460 -0.247 0.000 1.124 143 W HN 0.332 nan 8.180 nan 0.000 0.597 144 S N -0.199 114.566 115.700 -1.559 0.000 2.561 144 S HA -0.109 4.361 4.470 0.001 0.000 0.225 144 S C 1.016 175.203 174.600 -0.690 0.000 0.977 144 S CA 1.111 58.463 58.200 -1.413 0.000 0.926 144 S CB -0.354 62.187 63.200 -1.098 0.000 0.769 144 S HN 0.119 nan 8.310 nan 0.000 0.533 145 D N 1.467 121.531 120.400 -0.560 0.000 2.392 145 D HA 0.097 4.737 4.640 0.001 0.000 0.206 145 D C 1.509 177.471 176.300 -0.563 0.000 1.046 145 D CA 0.182 53.806 54.000 -0.626 0.000 0.865 145 D CB -0.149 40.390 40.800 -0.435 0.000 0.969 145 D HN 0.516 nan 8.370 nan 0.000 0.509 146 E N 0.407 120.431 120.200 -0.293 0.000 2.253 146 E HA -0.241 4.110 4.350 0.001 0.000 0.202 146 E C 1.736 178.318 176.600 -0.030 0.000 1.014 146 E CA 1.159 57.518 56.400 -0.068 0.000 0.823 146 E CB -0.253 29.533 29.700 0.144 0.000 0.736 146 E HN 0.544 nan 8.360 nan 0.000 0.478 147 Y N 0.803 121.031 120.300 -0.119 0.000 2.490 147 Y HA 0.094 4.645 4.550 0.000 0.000 0.285 147 Y C 1.228 177.064 175.900 -0.107 0.000 1.117 147 Y CA 0.551 58.611 58.100 -0.068 0.000 1.262 147 Y CB -0.613 37.810 38.460 -0.061 0.000 1.043 147 Y HN -0.183 nan 8.280 nan 0.000 0.553 148 T N -1.460 112.549 114.554 -0.908 0.000 2.828 148 T HA 0.043 4.393 4.350 0.001 0.000 0.290 148 T C 0.936 175.391 174.700 -0.409 0.000 1.019 148 T CA -0.041 61.592 62.100 -0.779 0.000 1.031 148 T CB 0.513 68.474 68.868 -1.513 0.000 1.001 148 T HN 0.548 nan 8.240 nan 0.000 0.531 149 Y N 0.868 121.094 120.300 -0.124 0.000 2.293 149 Y HA -0.071 4.479 4.550 0.001 0.000 0.291 149 Y C 1.987 177.868 175.900 -0.031 0.000 1.137 149 Y CA 0.828 58.943 58.100 0.025 0.000 1.202 149 Y CB -1.268 37.262 38.460 0.118 0.000 0.990 149 Y HN 0.784 nan 8.280 nan 0.000 0.537 150 Y N -0.102 119.529 120.300 -1.115 0.000 2.578 150 Y HA 0.472 5.022 4.550 0.001 0.000 0.297 150 Y C 1.473 177.161 175.900 -0.353 0.000 1.176 150 Y CA -0.095 57.529 58.100 -0.794 0.000 1.315 150 Y CB -0.434 37.489 38.460 -0.895 0.000 1.031 150 Y HN 0.129 nan 8.280 nan 0.000 0.524 151 G N 0.054 108.541 108.800 -0.521 0.000 4.238 151 G HA2 0.527 4.487 3.960 0.001 0.000 0.292 151 G HA3 0.527 4.487 3.960 0.001 0.000 0.292 151 G C -0.012 174.796 174.900 -0.153 0.000 1.036 151 G CA -0.059 44.849 45.100 -0.319 0.000 0.812 151 G HN 0.561 nan 8.290 nan 0.000 0.489 152 A N 0.930 123.710 122.820 -0.067 0.000 2.425 152 A HA 0.654 4.974 4.320 0.001 0.000 0.242 152 A C -2.005 175.627 177.584 0.079 0.000 1.077 152 A CA -0.756 51.306 52.037 0.042 0.000 0.781 152 A CB 0.231 19.297 19.000 0.110 0.000 1.020 152 A HN 0.209 nan 8.150 nan 0.000 0.494 153 P HA 0.145 nan 4.420 nan 0.000 0.269 153 P C -0.717 176.655 177.300 0.121 0.000 1.217 153 P CA 0.145 63.300 63.100 0.091 0.000 0.783 153 P CB 0.293 32.017 31.700 0.041 0.000 0.898 154 I N 1.073 121.727 120.570 0.140 0.000 2.390 154 I HA 0.327 4.497 4.170 0.001 0.000 0.283 154 I C 0.178 176.332 176.117 0.062 0.000 1.016 154 I CA -0.088 61.277 61.300 0.109 0.000 1.151 154 I CB 0.425 38.504 38.000 0.132 0.000 1.293 154 I HN 0.185 nan 8.210 nan 0.000 0.458 155 S N 3.105 118.849 115.700 0.073 0.000 2.568 155 S HA 0.736 5.206 4.470 0.001 0.000 0.293 155 S C 0.999 175.671 174.600 0.119 0.000 1.089 155 S CA -0.036 58.216 58.200 0.087 0.000 0.945 155 S CB 2.025 65.268 63.200 0.072 0.000 1.077 155 S HN 0.680 nan 8.310 nan 0.000 0.485 156 A N 2.890 125.807 122.820 0.163 0.000 1.930 156 A HA 0.167 4.488 4.320 0.001 0.000 0.217 156 A C 0.772 178.381 177.584 0.042 0.000 1.175 156 A CA 0.868 52.991 52.037 0.144 0.000 0.627 156 A CB -0.227 18.826 19.000 0.088 0.000 0.815 156 A HN 0.606 nan 8.150 nan 0.000 0.443 157 L N 0.869 122.117 121.223 0.042 0.000 2.277 157 L HA 0.481 4.822 4.340 0.001 0.000 0.284 157 L C -0.266 176.625 176.870 0.035 0.000 1.028 157 L CA 0.458 55.308 54.840 0.018 0.000 0.835 157 L CB 0.603 42.672 42.059 0.018 0.000 1.215 157 L HN 0.345 nan 8.230 nan 0.000 0.425 158 T N 3.354 117.929 114.554 0.034 0.000 2.618 158 T HA 0.906 5.256 4.350 0.001 0.000 0.286 158 T C -1.694 173.035 174.700 0.048 0.000 1.027 158 T CA 0.027 62.164 62.100 0.063 0.000 1.063 158 T CB 1.916 70.841 68.868 0.094 0.000 1.440 158 T HN 0.773 nan 8.240 nan 0.000 0.505 159 A N 1.095 123.942 122.820 0.046 0.000 2.547 159 A HA 0.641 4.961 4.320 0.001 0.000 0.298 159 A C -0.589 177.066 177.584 0.118 0.000 1.062 159 A CA -0.594 51.452 52.037 0.015 0.000 0.748 159 A CB 1.229 20.165 19.000 -0.107 0.000 1.288 159 A HN 0.705 nan 8.150 nan 0.000 0.396 160 S N 2.912 118.724 115.700 0.188 0.000 2.672 160 S HA 0.661 5.131 4.470 0.001 0.000 0.276 160 S C -1.656 173.083 174.600 0.232 0.000 1.207 160 S CA -0.930 57.433 58.200 0.271 0.000 1.002 160 S CB 1.090 64.475 63.200 0.308 0.000 0.998 160 S HN 0.698 nan 8.310 nan 0.000 0.542 161 P HA 0.083 nan 4.420 nan 0.000 0.232 161 P C -0.149 177.217 177.300 0.109 0.000 1.170 161 P CA 0.720 63.926 63.100 0.177 0.000 0.824 161 P CB 0.068 31.838 31.700 0.116 0.000 0.896 162 N N -0.564 118.206 118.700 0.116 0.000 3.157 162 N HA 0.074 4.815 4.740 0.001 0.000 0.291 162 N C -0.000 175.387 175.510 -0.204 0.000 1.515 162 N CA -0.623 52.440 53.050 0.022 0.000 0.807 162 N CB 0.141 38.696 38.487 0.113 0.000 1.672 162 N HN -0.315 nan 8.380 nan 0.000 0.592 163 E N -0.843 119.166 120.200 -0.318 0.000 2.438 163 E HA 0.025 4.375 4.350 0.001 0.000 0.192 163 E C -0.386 175.739 176.600 -0.791 0.000 1.110 163 E CA 0.113 56.030 56.400 -0.805 0.000 0.893 163 E CB -0.001 29.472 29.700 -0.378 0.000 0.990 163 E HN 0.389 nan 8.360 nan 0.000 0.490 164 D N -0.458 119.709 120.400 -0.387 0.000 2.305 164 D HA -0.057 4.583 4.640 0.001 0.000 0.206 164 D C -0.394 175.922 176.300 0.027 0.000 0.974 164 D CA 0.323 54.231 54.000 -0.153 0.000 0.871 164 D CB 0.174 40.874 40.800 -0.167 0.000 0.947 164 D HN 0.139 nan 8.370 nan 0.000 0.516 165 Y N 0.282 120.679 120.300 0.161 0.000 3.305 165 Y HA -0.209 4.341 4.550 0.000 0.000 0.209 165 Y C -0.511 175.490 175.900 0.168 0.000 1.354 165 Y CA -0.352 57.876 58.100 0.214 0.000 1.392 165 Y CB -2.456 36.196 38.460 0.319 0.000 1.446 165 Y HN -0.028 nan 8.280 nan 0.000 0.553 166 D N 1.030 121.571 120.400 0.234 0.000 2.619 166 D HA 0.468 5.108 4.640 0.001 0.000 0.224 166 D C 0.728 177.203 176.300 0.291 0.000 1.133 166 D CA 0.528 54.651 54.000 0.204 0.000 1.017 166 D CB 0.102 41.002 40.800 0.166 0.000 1.077 166 D HN 0.513 nan 8.370 nan 0.000 0.503 167 A N 0.390 123.367 122.820 0.260 0.000 2.584 167 A HA 0.383 4.704 4.320 0.001 0.000 0.239 167 A C 1.599 179.342 177.584 0.265 0.000 1.043 167 A CA 0.769 52.961 52.037 0.257 0.000 0.756 167 A CB 0.023 19.139 19.000 0.193 0.000 0.963 167 A HN 0.722 nan 8.150 nan 0.000 0.511 168 G N 1.598 110.604 108.800 0.344 0.000 2.157 168 G HA2 -0.092 3.868 3.960 0.001 0.000 0.239 168 G HA3 -0.092 3.868 3.960 0.001 0.000 0.239 168 G C 0.437 175.499 174.900 0.270 0.000 0.982 168 G CA 1.009 46.307 45.100 0.331 0.000 0.650 168 G HN 2.232 nan 8.290 nan 0.000 0.527 169 T N -2.444 112.312 114.554 0.337 0.000 2.905 169 T HA 0.917 5.268 4.350 0.001 0.000 0.283 169 T C 0.013 174.805 174.700 0.154 0.000 1.031 169 T CA -0.158 62.091 62.100 0.249 0.000 1.002 169 T CB 2.621 71.757 68.868 0.446 0.000 1.200 169 T HN 1.694 nan 8.240 nan 0.000 0.560 170 V N -1.750 118.169 119.914 0.009 0.000 3.159 170 V HA 0.685 4.805 4.120 0.001 0.000 0.308 170 V C -1.125 174.784 176.094 -0.309 0.000 1.190 170 V CA -1.414 60.831 62.300 -0.092 0.000 1.037 170 V CB 1.757 33.511 31.823 -0.115 0.000 1.060 170 V HN 0.910 nan 8.190 nan 0.000 0.437 171 I N 2.546 122.891 120.570 -0.376 0.000 2.325 171 I HA 0.504 4.674 4.170 0.001 0.000 0.291 171 I C -0.180 175.755 176.117 -0.304 0.000 1.019 171 I CA -0.448 60.507 61.300 -0.575 0.000 1.302 171 I CB 1.136 38.808 38.000 -0.547 0.000 1.401 171 I HN 0.478 nan 8.210 nan 0.000 0.485 172 V N 6.736 126.495 119.914 -0.259 0.000 2.378 172 V HA 0.385 4.505 4.120 0.001 0.000 0.288 172 V C 0.074 176.108 176.094 -0.100 0.000 1.016 172 V CA -0.686 61.537 62.300 -0.129 0.000 0.840 172 V CB 1.739 33.522 31.823 -0.067 0.000 0.994 172 V HN 0.668 nan 8.190 nan 0.000 0.431 173 E N 3.139 123.291 120.200 -0.078 0.000 2.187 173 E HA 0.655 5.005 4.350 0.001 0.000 0.268 173 E C -1.486 175.096 176.600 -0.030 0.000 0.896 173 E CA -0.620 55.750 56.400 -0.051 0.000 0.766 173 E CB 2.722 32.390 29.700 -0.054 0.000 1.142 173 E HN 0.462 nan 8.360 nan 0.000 0.408 174 V N 2.951 122.856 119.914 -0.016 0.000 2.380 174 V HA 0.265 4.385 4.120 0.001 0.000 0.286 174 V C -0.433 175.658 176.094 -0.005 0.000 1.015 174 V CA -0.677 61.617 62.300 -0.011 0.000 0.834 174 V CB 1.656 33.475 31.823 -0.007 0.000 1.009 174 V HN 0.659 nan 8.190 nan 0.000 0.428 175 T N 7.533 122.083 114.554 -0.006 0.000 2.756 175 T HA 0.382 4.732 4.350 0.001 0.000 0.290 175 T C -2.459 172.240 174.700 -0.002 0.000 0.985 175 T CA -1.233 60.865 62.100 -0.003 0.000 0.955 175 T CB 1.511 70.377 68.868 -0.004 0.000 0.930 175 T HN 0.476 nan 8.240 nan 0.000 0.451 176 P HA -0.107 nan 4.420 nan 0.000 0.263 176 P C -0.035 177.264 177.300 -0.001 0.000 1.168 176 P CA -0.102 62.998 63.100 -0.000 0.000 0.759 176 P CB 0.637 32.338 31.700 0.002 0.000 0.782 177 N N 2.538 121.237 118.700 -0.002 0.000 2.424 177 N HA 0.027 4.767 4.740 0.001 0.000 0.257 177 N C -0.019 175.490 175.510 -0.001 0.000 1.250 177 N CA -0.133 52.915 53.050 -0.002 0.000 0.946 177 N CB 0.437 38.922 38.487 -0.003 0.000 1.175 177 N HN 0.318 nan 8.380 nan 0.000 0.477 178 Q N 1.980 121.779 119.800 -0.001 0.000 2.286 178 Q HA 0.155 4.495 4.340 0.001 0.000 0.257 178 Q C -0.433 175.566 176.000 -0.001 0.000 0.941 178 Q CA 0.082 55.885 55.803 -0.001 0.000 0.912 178 Q CB 0.662 29.400 28.738 -0.001 0.000 1.192 178 Q HN 0.449 nan 8.270 nan 0.000 0.410 179 K N 2.255 122.655 120.400 -0.001 0.000 6.595 179 K HA -0.101 4.219 4.320 0.001 0.000 0.817 179 K C -0.053 176.546 176.600 -0.001 0.000 2.257 179 K CA 0.205 56.491 56.287 -0.001 0.000 1.680 179 K CB -0.206 32.294 32.500 -0.001 0.000 2.220 179 K HN 0.845 nan 8.250 nan 0.000 0.275 180 E N 1.309 121.509 120.200 -0.001 0.000 2.485 180 E HA 0.071 4.421 4.350 0.001 0.000 0.266 180 E C 1.108 177.707 176.600 -0.002 0.000 1.137 180 E CA 0.699 57.099 56.400 -0.001 0.000 1.010 180 E CB 0.107 29.807 29.700 -0.001 0.000 0.986 180 E HN 0.849 nan 8.360 nan 0.000 0.460 181 G N 0.868 109.666 108.800 -0.002 0.000 2.258 181 G HA2 -0.295 3.666 3.960 0.001 0.000 0.274 181 G HA3 -0.295 3.666 3.960 0.001 0.000 0.274 181 G C 0.393 175.291 174.900 -0.004 0.000 1.021 181 G CA 0.595 45.693 45.100 -0.003 0.000 0.798 181 G HN 0.475 nan 8.290 nan 0.000 0.507 182 E N 0.074 120.272 120.200 -0.004 0.000 2.538 182 E HA 0.195 4.545 4.350 0.001 0.000 0.207 182 E C 0.598 177.195 176.600 -0.006 0.000 1.002 182 E CA 0.426 56.824 56.400 -0.004 0.000 0.952 182 E CB 0.193 29.891 29.700 -0.004 0.000 1.031 182 E HN 0.847 nan 8.360 nan 0.000 0.476 183 E N 1.575 121.772 120.200 -0.006 0.000 7.423 183 E HA -0.119 4.232 4.350 0.001 0.000 0.390 183 E C -2.576 174.020 176.600 -0.007 0.000 0.628 183 E CA -0.191 56.204 56.400 -0.008 0.000 1.042 183 E CB 0.060 29.754 29.700 -0.009 0.000 0.940 183 E HN -0.038 nan 8.360 nan 0.000 0.271 184 P HA 0.103 nan 4.420 nan 0.000 0.269 184 P C -0.685 176.609 177.300 -0.009 0.000 1.217 184 P CA 0.269 63.365 63.100 -0.007 0.000 0.783 184 P CB 0.824 32.520 31.700 -0.007 0.000 0.898 185 A N 2.250 125.065 122.820 -0.009 0.000 2.331 185 A HA 0.512 4.833 4.320 0.001 0.000 0.283 185 A C -0.294 177.282 177.584 -0.013 0.000 1.142 185 A CA -0.456 51.575 52.037 -0.010 0.000 0.812 185 A CB 0.291 19.286 19.000 -0.009 0.000 1.074 185 A HN 0.357 nan 8.150 nan 0.000 0.497 186 V N 2.441 122.345 119.914 -0.016 0.000 2.588 186 V HA 0.617 4.737 4.120 0.001 0.000 0.304 186 V C 0.238 176.318 176.094 -0.023 0.000 1.042 186 V CA -0.228 62.060 62.300 -0.021 0.000 0.877 186 V CB 1.642 33.451 31.823 -0.023 0.000 0.996 186 V HN 1.144 nan 8.190 nan 0.000 0.425 187 S N 3.572 119.254 115.700 -0.030 0.000 2.648 187 S HA 0.931 5.401 4.470 0.001 0.000 0.305 187 S C -0.659 173.916 174.600 -0.043 0.000 1.094 187 S CA -0.721 57.460 58.200 -0.031 0.000 0.983 187 S CB 2.128 65.310 63.200 -0.030 0.000 1.101 187 S HN 1.339 nan 8.310 nan 0.000 0.514 188 V N -1.227 118.665 119.914 -0.036 0.000 2.638 188 V HA 0.883 5.003 4.120 0.001 0.000 0.306 188 V C -0.457 175.618 176.094 -0.032 0.000 1.052 188 V CA -0.547 61.727 62.300 -0.043 0.000 0.885 188 V CB 1.054 32.864 31.823 -0.022 0.000 0.999 188 V HN 0.988 nan 8.190 nan 0.000 0.424 189 S N 6.323 121.989 115.700 -0.056 0.000 2.647 189 S HA 0.735 5.206 4.470 0.001 0.000 0.300 189 S C -2.482 172.117 174.600 -0.001 0.000 1.129 189 S CA -1.204 56.977 58.200 -0.030 0.000 1.029 189 S CB 2.215 65.378 63.200 -0.062 0.000 1.007 189 S HN 0.859 nan 8.310 nan 0.000 0.484 190 P HA 0.218 nan 4.420 nan 0.000 0.288 190 P C -0.907 176.441 177.300 0.080 0.000 1.291 190 P CA -0.401 62.751 63.100 0.087 0.000 0.766 190 P CB 0.557 32.333 31.700 0.126 0.000 1.242 191 K N -0.468 119.974 120.400 0.070 0.000 2.130 191 K HA 0.582 4.902 4.320 0.001 0.000 0.268 191 K C -0.307 176.344 176.600 0.086 0.000 0.983 191 K CA -0.167 56.155 56.287 0.059 0.000 0.893 191 K CB 1.039 33.561 32.500 0.037 0.000 1.066 191 K HN 0.472 nan 8.250 nan 0.000 0.450 192 T N 0.174 114.780 114.554 0.086 0.000 2.830 192 T HA 0.138 4.489 4.350 0.001 0.000 0.322 192 T C -0.623 174.136 174.700 0.098 0.000 1.501 192 T CA -0.798 61.372 62.100 0.117 0.000 1.036 192 T CB 1.417 70.406 68.868 0.202 0.000 1.379 192 T HN 0.469 nan 8.240 nan 0.000 0.493 193 D N -0.366 120.102 120.400 0.114 0.000 2.369 193 D HA 0.087 4.728 4.640 0.001 0.000 0.211 193 D C 0.885 177.248 176.300 0.105 0.000 1.077 193 D CA 0.146 54.195 54.000 0.081 0.000 0.842 193 D CB 0.302 41.140 40.800 0.063 0.000 0.947 193 D HN 0.449 nan 8.370 nan 0.000 0.509 194 Y N 0.960 121.282 120.300 0.036 0.000 2.352 194 Y HA 0.004 4.554 4.550 0.001 0.000 0.292 194 Y C 0.451 176.363 175.900 0.020 0.000 1.136 194 Y CA 0.754 58.881 58.100 0.046 0.000 1.227 194 Y CB 0.244 38.755 38.460 0.084 0.000 0.991 194 Y HN -0.177 nan 8.280 nan 0.000 0.545 195 I N -0.053 120.534 120.570 0.028 0.000 2.474 195 I HA 0.252 4.423 4.170 0.001 0.000 0.294 195 I C -0.228 175.870 176.117 -0.032 0.000 1.005 195 I CA -0.593 60.684 61.300 -0.038 0.000 1.113 195 I CB 1.831 39.820 38.000 -0.019 0.000 1.289 195 I HN -0.023 nan 8.210 nan 0.000 0.436 196 T N 4.950 119.473 114.554 -0.052 0.000 2.841 196 T HA 0.658 5.008 4.350 0.001 0.000 0.283 196 T C -0.348 174.328 174.700 -0.041 0.000 1.000 196 T CA -0.729 61.346 62.100 -0.041 0.000 0.977 196 T CB 0.997 69.836 68.868 -0.048 0.000 0.979 196 T HN 0.186 nan 8.240 nan 0.000 0.446 197 I N 2.493 123.044 120.570 -0.032 0.000 2.532 197 I HA 0.424 4.594 4.170 0.001 0.000 0.292 197 I C 0.389 176.485 176.117 -0.034 0.000 1.014 197 I CA -0.616 60.664 61.300 -0.033 0.000 1.340 197 I CB 1.600 39.584 38.000 -0.027 0.000 1.422 197 I HN 0.763 nan 8.210 nan 0.000 0.528 198 K N 4.994 125.372 120.400 -0.037 0.000 2.682 198 K HA 0.202 4.523 4.320 0.001 0.000 0.189 198 K C -0.301 176.280 176.600 -0.032 0.000 1.062 198 K CA -0.265 56.001 56.287 -0.036 0.000 0.997 198 K CB -0.106 32.369 32.500 -0.042 0.000 1.405 198 K HN 0.350 nan 8.250 nan 0.000 0.588 199 N N 2.977 121.660 118.700 -0.027 0.000 2.406 199 N HA -0.029 4.711 4.740 0.001 0.000 0.265 199 N C -0.915 174.582 175.510 -0.021 0.000 1.203 199 N CA 0.500 53.536 53.050 -0.024 0.000 0.945 199 N CB 0.662 39.137 38.487 -0.020 0.000 1.165 199 N HN 0.651 nan 8.380 nan 0.000 0.485 200 D N 2.014 122.401 120.400 -0.022 0.000 2.865 200 D HA 0.145 4.785 4.640 0.001 0.000 0.347 200 D C -0.832 175.458 176.300 -0.017 0.000 1.498 200 D CA -0.464 53.525 54.000 -0.019 0.000 0.787 200 D CB -0.180 40.608 40.800 -0.021 0.000 1.190 200 D HN 0.282 nan 8.370 nan 0.000 0.445 201 A N 0.606 123.417 122.820 -0.015 0.000 2.320 201 A HA 0.632 4.952 4.320 0.001 0.000 0.334 201 A C -0.061 177.517 177.584 -0.009 0.000 1.147 201 A CA -0.673 51.357 52.037 -0.012 0.000 0.820 201 A CB 1.620 20.613 19.000 -0.012 0.000 1.218 201 A HN 0.059 nan 8.150 nan 0.000 0.482 202 K N 1.072 121.468 120.400 -0.007 0.000 2.164 202 K HA 0.491 4.812 4.320 0.001 0.000 0.258 202 K C -0.762 175.835 176.600 -0.004 0.000 0.951 202 K CA -0.244 56.039 56.287 -0.005 0.000 0.844 202 K CB 1.821 34.319 32.500 -0.005 0.000 1.099 202 K HN 0.719 nan 8.250 nan 0.000 0.435 203 T N 1.954 116.506 114.554 -0.003 0.000 2.744 203 T HA 0.206 4.556 4.350 0.001 0.000 0.291 203 T C 0.480 175.179 174.700 -0.001 0.000 0.957 203 T CA -0.582 61.517 62.100 -0.002 0.000 1.002 203 T CB 0.769 69.636 68.868 -0.002 0.000 0.919 203 T HN 0.609 nan 8.240 nan 0.000 0.468 204 T N 0.287 114.842 114.554 0.000 0.000 2.912 204 T HA 0.731 5.081 4.350 0.001 0.000 0.280 204 T C 0.476 175.177 174.700 0.001 0.000 0.989 204 T CA -1.050 61.051 62.100 0.001 0.000 0.995 204 T CB 0.971 69.840 68.868 0.001 0.000 1.077 204 T HN 0.687 nan 8.240 nan 0.000 0.531 205 A N 1.080 123.901 122.820 0.001 0.000 2.483 205 A HA 0.595 4.916 4.320 0.001 0.000 0.238 205 A C 1.045 178.630 177.584 0.002 0.000 1.070 205 A CA -0.271 51.767 52.037 0.001 0.000 0.770 205 A CB -0.944 18.057 19.000 0.001 0.000 1.008 205 A HN 1.559 nan 8.150 nan 0.000 0.497 206 A N 0.998 123.819 122.820 0.002 0.000 2.586 206 A HA 0.440 4.760 4.320 0.001 0.000 0.231 206 A C 1.785 179.371 177.584 0.003 0.000 1.055 206 A CA 1.139 53.177 52.037 0.003 0.000 0.756 206 A CB -0.667 18.335 19.000 0.003 0.000 0.988 206 A HN 2.809 nan 8.150 nan 0.000 0.509 207 G N 0.265 109.067 108.800 0.004 0.000 2.383 207 G HA2 -0.234 3.726 3.960 0.001 0.000 0.229 207 G HA3 -0.234 3.726 3.960 0.001 0.000 0.229 207 G C 0.981 175.884 174.900 0.005 0.000 1.089 207 G CA 0.900 46.003 45.100 0.004 0.000 0.640 207 G HN 1.780 nan 8.290 nan 0.000 0.510 208 S N 1.062 116.765 115.700 0.004 0.000 2.580 208 S HA 0.437 4.908 4.470 0.001 0.000 0.266 208 S C 0.561 175.164 174.600 0.005 0.000 1.354 208 S CA -0.068 58.135 58.200 0.004 0.000 1.008 208 S CB 0.490 63.693 63.200 0.004 0.000 0.898 208 S HN 0.377 nan 8.310 nan 0.000 0.555 209 E N 1.698 121.902 120.200 0.006 0.000 2.390 209 E HA 0.107 4.457 4.350 0.001 0.000 0.261 209 E C -0.205 176.399 176.600 0.008 0.000 1.076 209 E CA -0.096 56.309 56.400 0.007 0.000 0.905 209 E CB 0.627 30.332 29.700 0.008 0.000 0.984 209 E HN 0.461 nan 8.360 nan 0.000 0.427 210 K N 2.436 122.842 120.400 0.010 0.000 2.281 210 K HA 0.077 4.398 4.320 0.001 0.000 0.272 210 K C -0.961 175.646 176.600 0.012 0.000 1.048 210 K CA -0.307 55.987 56.287 0.011 0.000 0.898 210 K CB 0.497 33.005 32.500 0.013 0.000 1.128 210 K HN 0.157 nan 8.250 nan 0.000 0.460 211 D N 5.562 125.967 120.400 0.009 0.000 2.483 211 D HA 0.179 4.819 4.640 0.001 0.000 0.281 211 D C -1.380 174.924 176.300 0.007 0.000 1.174 211 D CA -0.530 53.475 54.000 0.009 0.000 0.938 211 D CB 0.216 41.020 40.800 0.007 0.000 1.002 211 D HN 0.360 nan 8.370 nan 0.000 0.501 212 L N 1.742 122.971 121.223 0.011 0.000 2.309 212 L HA 0.574 4.915 4.340 0.001 0.000 0.282 212 L C -0.273 176.600 176.870 0.006 0.000 1.036 212 L CA -0.083 54.761 54.840 0.007 0.000 0.806 212 L CB 1.980 44.046 42.059 0.012 0.000 1.220 212 L HN 0.117 nan 8.230 nan 0.000 0.429 213 T N 5.789 120.338 114.554 -0.009 0.000 2.881 213 T HA 0.626 4.976 4.350 0.001 0.000 0.291 213 T C -0.521 174.146 174.700 -0.054 0.000 0.990 213 T CA -0.205 61.879 62.100 -0.026 0.000 0.976 213 T CB 0.855 69.700 68.868 -0.038 0.000 0.970 213 T HN 0.322 nan 8.240 nan 0.000 0.438 214 I N 3.995 124.526 120.570 -0.064 0.000 2.439 214 I HA 0.525 4.695 4.170 0.001 0.000 0.285 214 I C -0.206 175.779 176.117 -0.219 0.000 1.021 214 I CA -0.681 60.567 61.300 -0.087 0.000 1.091 214 I CB 1.546 39.540 38.000 -0.011 0.000 1.242 214 I HN 0.727 nan 8.210 nan 0.000 0.439 215 E N 5.463 125.468 120.200 -0.326 0.000 2.416 215 E HA 0.469 4.820 4.350 0.001 0.000 0.280 215 E C -1.364 175.055 176.600 -0.301 0.000 1.055 215 E CA -1.251 54.760 56.400 -0.649 0.000 0.825 215 E CB 2.183 31.049 29.700 -1.390 0.000 1.312 215 E HN 0.438 nan 8.360 nan 0.000 0.452 216 R N 0.875 121.273 120.500 -0.170 0.000 2.368 216 R HA 0.155 4.496 4.340 0.001 0.000 0.302 216 R C -0.467 175.829 176.300 -0.006 0.000 1.002 216 R CA -0.513 55.571 56.100 -0.026 0.000 0.929 216 R CB 1.001 31.350 30.300 0.083 0.000 1.073 216 R HN 0.469 nan 8.270 nan 0.000 0.464 217 E N 3.315 123.499 120.200 -0.026 0.000 2.415 217 E HA -0.108 4.242 4.350 0.001 0.000 0.260 217 E C -0.306 176.310 176.600 0.027 0.000 1.016 217 E CA 0.314 56.711 56.400 -0.006 0.000 0.924 217 E CB 0.300 29.965 29.700 -0.058 0.000 0.961 217 E HN 0.593 nan 8.360 nan 0.000 0.459 218 H N 1.367 120.444 119.070 0.012 0.000 3.195 218 H HA -0.148 4.408 4.556 0.000 0.000 0.302 218 H C 1.451 176.624 175.328 -0.260 0.000 0.950 218 H CA 0.898 56.954 56.048 0.014 0.000 1.398 218 H CB 0.277 30.142 29.762 0.171 0.000 1.377 218 H HN 0.839 nan 8.280 nan 0.000 0.572 219 G N 3.196 111.631 108.800 -0.609 0.000 2.377 219 G HA2 -0.391 3.569 3.960 0.001 0.000 0.250 219 G HA3 -0.391 3.569 3.960 0.001 0.000 0.250 219 G C 0.665 174.606 174.900 -1.598 0.000 1.039 219 G CA 0.972 45.146 45.100 -1.544 0.000 0.625 219 G HN 0.955 nan 8.290 nan 0.000 0.526 220 T N -2.610 111.484 114.554 -0.767 0.000 2.814 220 T HA 0.549 4.899 4.350 0.001 0.000 0.284 220 T C 0.672 175.161 174.700 -0.352 0.000 0.998 220 T CA 0.494 62.278 62.100 -0.527 0.000 0.935 220 T CB 1.479 70.179 68.868 -0.280 0.000 1.167 220 T HN 0.228 nan 8.240 nan 0.000 0.545 221 N N -0.287 118.284 118.700 -0.214 0.000 2.291 221 N HA 0.211 4.951 4.740 0.001 0.000 0.244 221 N C -0.680 174.765 175.510 -0.109 0.000 1.216 221 N CA -0.360 52.618 53.050 -0.121 0.000 0.879 221 N CB 0.486 38.845 38.487 -0.214 0.000 1.167 221 N HN 0.832 nan 8.380 nan 0.000 0.515 222 T N -0.897 113.596 114.554 -0.102 0.000 2.749 222 T HA 0.441 4.791 4.350 0.001 0.000 0.287 222 T C 0.099 174.763 174.700 -0.060 0.000 0.970 222 T CA -0.567 61.486 62.100 -0.079 0.000 0.980 222 T CB 1.102 69.922 68.868 -0.081 0.000 0.924 222 T HN -0.007 nan 8.240 nan 0.000 0.456 223 I N 4.505 125.046 120.570 -0.049 0.000 2.371 223 I HA 0.283 4.453 4.170 0.001 0.000 0.290 223 I C 1.017 177.101 176.117 -0.056 0.000 1.028 223 I CA -0.507 60.765 61.300 -0.047 0.000 1.345 223 I CB 1.146 39.125 38.000 -0.034 0.000 1.407 223 I HN 0.839 nan 8.210 nan 0.000 0.501 224 T N 5.130 119.640 114.554 -0.072 0.000 2.855 224 T HA 0.725 5.076 4.350 0.001 0.000 0.281 224 T C -0.466 174.191 174.700 -0.071 0.000 1.007 224 T CA -0.771 61.288 62.100 -0.068 0.000 1.009 224 T CB 1.788 70.613 68.868 -0.072 0.000 0.983 224 T HN 0.505 nan 8.240 nan 0.000 0.455 225 I N -0.515 120.024 120.570 -0.052 0.000 2.418 225 I HA 0.750 4.920 4.170 0.001 0.000 0.287 225 I C -0.734 175.361 176.117 -0.036 0.000 1.008 225 I CA -0.776 60.498 61.300 -0.044 0.000 1.104 225 I CB 1.755 39.736 38.000 -0.031 0.000 1.264 225 I HN 0.669 nan 8.210 nan 0.000 0.438 226 E N 4.273 124.451 120.200 -0.036 0.000 2.359 226 E HA 0.841 5.192 4.350 0.001 0.000 0.266 226 E C -0.102 176.487 176.600 -0.018 0.000 0.920 226 E CA -0.838 55.546 56.400 -0.027 0.000 0.788 226 E CB 2.271 31.953 29.700 -0.030 0.000 1.279 226 E HN 1.114 nan 8.360 nan 0.000 0.438 227 G N 0.795 109.588 108.800 -0.013 0.000 2.447 227 G HA2 -0.079 3.881 3.960 0.001 0.000 0.220 227 G HA3 -0.079 3.881 3.960 0.001 0.000 0.220 227 G C -0.738 174.159 174.900 -0.005 0.000 1.261 227 G CA -0.351 44.745 45.100 -0.007 0.000 1.000 227 G HN 0.814 nan 8.290 nan 0.000 0.515 228 S N -2.000 113.699 115.700 -0.001 0.000 2.599 228 S HA 0.860 5.331 4.470 0.001 0.000 0.294 228 S C -0.818 173.783 174.600 0.002 0.000 1.094 228 S CA -0.025 58.175 58.200 -0.001 0.000 0.931 228 S CB 2.171 65.371 63.200 0.000 0.000 1.093 228 S HN 2.321 nan 8.310 nan 0.000 0.488 229 V N 2.187 122.102 119.914 0.002 0.000 2.655 229 V HA 0.599 4.720 4.120 0.001 0.000 0.301 229 V C -2.837 173.259 176.094 0.003 0.000 1.082 229 V CA -2.118 60.184 62.300 0.003 0.000 0.899 229 V CB 2.430 34.255 31.823 0.003 0.000 1.014 229 V HN 0.936 nan 8.190 nan 0.000 0.429 230 P HA 0.098 nan 4.420 nan 0.000 0.271 230 P C 1.296 178.598 177.300 0.003 0.000 1.220 230 P CA 0.488 63.590 63.100 0.004 0.000 0.768 230 P CB 1.560 33.263 31.700 0.005 0.000 0.848 231 V N 1.050 120.966 119.914 0.002 0.000 2.428 231 V HA -0.269 3.851 4.120 0.001 0.000 0.255 231 V C 1.308 177.403 176.094 0.003 0.000 1.080 231 V CA 2.467 64.769 62.300 0.002 0.000 1.083 231 V CB -1.718 30.105 31.823 0.001 0.000 0.665 231 V HN 0.527 nan 8.190 nan 0.000 0.461 232 D N 1.055 121.457 120.400 0.004 0.000 2.319 232 D HA 0.350 4.990 4.640 0.001 0.000 0.230 232 D C 0.795 177.099 176.300 0.006 0.000 1.094 232 D CA 0.503 54.506 54.000 0.005 0.000 0.856 232 D CB -0.274 40.528 40.800 0.005 0.000 0.915 232 D HN 0.799 nan 8.370 nan 0.000 0.517 233 A N 0.489 123.313 122.820 0.006 0.000 2.386 233 A HA 0.310 4.631 4.320 0.001 0.000 0.248 233 A C 0.594 178.183 177.584 0.009 0.000 1.082 233 A CA -0.554 51.488 52.037 0.008 0.000 0.789 233 A CB 0.365 19.370 19.000 0.009 0.000 1.025 233 A HN 0.105 nan 8.150 nan 0.000 0.490 234 N N 0.380 119.087 118.700 0.011 0.000 2.379 234 N HA 0.272 5.012 4.740 0.001 0.000 0.260 234 N C -0.339 175.178 175.510 0.013 0.000 1.254 234 N CA -0.393 52.665 53.050 0.012 0.000 0.958 234 N CB 0.190 38.686 38.487 0.015 0.000 1.208 234 N HN 0.479 nan 8.380 nan 0.000 0.532 235 K N 0.191 120.598 120.400 0.012 0.000 2.336 235 K HA 0.233 4.554 4.320 0.001 0.000 0.262 235 K C -0.270 176.341 176.600 0.018 0.000 0.992 235 K CA 0.349 56.642 56.287 0.010 0.000 0.927 235 K CB 0.184 32.688 32.500 0.007 0.000 0.956 235 K HN 0.406 nan 8.250 nan 0.000 0.495 236 T N 2.100 116.664 114.554 0.017 0.000 2.930 236 T HA 0.295 4.646 4.350 0.001 0.000 0.313 236 T C -0.704 174.013 174.700 0.028 0.000 1.019 236 T CA -0.940 61.179 62.100 0.031 0.000 1.004 236 T CB 0.623 69.509 68.868 0.030 0.000 0.987 236 T HN 0.240 nan 8.240 nan 0.000 0.456 237 K N 2.637 123.066 120.400 0.048 0.000 2.130 237 K HA 0.585 4.905 4.320 0.001 0.000 0.268 237 K C -0.219 176.451 176.600 0.117 0.000 0.983 237 K CA -0.705 55.600 56.287 0.030 0.000 0.893 237 K CB 1.521 34.047 32.500 0.042 0.000 1.066 237 K HN 0.587 nan 8.250 nan 0.000 0.450 238 E N 1.652 121.893 120.200 0.070 0.000 2.321 238 E HA 0.157 4.507 4.350 0.001 0.000 0.281 238 E C -1.248 175.466 176.600 0.190 0.000 0.910 238 E CA -0.606 55.933 56.400 0.232 0.000 0.770 238 E CB 1.577 31.389 29.700 0.187 0.000 1.225 238 E HN 0.422 nan 8.360 nan 0.000 0.417 239 W N 3.971 125.332 121.300 0.102 0.000 2.387 239 W HA 0.306 4.966 4.660 0.001 0.000 0.310 239 W C -0.563 176.066 176.519 0.183 0.000 1.181 239 W CA -0.321 57.096 57.345 0.121 0.000 1.333 239 W CB 0.573 30.093 29.460 0.100 0.000 1.286 239 W HN 0.338 nan 8.180 nan 0.000 0.455 240 I N 2.367 123.091 120.570 0.257 0.000 2.493 240 I HA 0.189 4.359 4.170 0.001 0.000 0.298 240 I C 0.736 176.966 176.117 0.188 0.000 0.998 240 I CA -0.290 61.153 61.300 0.239 0.000 1.137 240 I CB 1.712 39.798 38.000 0.143 0.000 1.310 240 I HN 0.097 nan 8.210 nan 0.000 0.445 241 S N 2.766 118.581 115.700 0.193 0.000 2.634 241 S HA 0.653 5.124 4.470 0.001 0.000 0.261 241 S C -0.334 174.342 174.600 0.127 0.000 1.271 241 S CA -0.520 57.772 58.200 0.154 0.000 0.985 241 S CB 1.088 64.373 63.200 0.142 0.000 0.968 241 S HN 0.344 nan 8.310 nan 0.000 0.568 242 V N 0.738 120.733 119.914 0.135 0.000 2.914 242 V HA 0.390 4.511 4.120 0.001 0.000 0.314 242 V C -1.002 175.280 176.094 0.314 0.000 1.084 242 V CA -0.885 61.512 62.300 0.162 0.000 0.963 242 V CB 1.969 33.807 31.823 0.026 0.000 1.025 242 V HN 0.891 nan 8.190 nan 0.000 0.432 243 W N 3.446 124.821 121.300 0.124 0.000 2.335 243 W HA 0.414 5.074 4.660 0.000 0.000 0.307 243 W C -0.038 176.628 176.519 0.244 0.000 1.117 243 W CA -0.272 57.153 57.345 0.134 0.000 1.228 243 W CB 0.826 30.316 29.460 0.051 0.000 1.240 243 W HN 0.900 nan 8.180 nan 0.000 0.468 244 E N 4.377 124.522 120.200 -0.092 0.000 2.484 244 E HA -0.216 4.135 4.350 0.001 0.000 0.181 244 E C -2.186 174.527 176.600 0.189 0.000 1.458 244 E CA -0.158 56.237 56.400 -0.009 0.000 0.667 244 E CB -1.059 28.673 29.700 0.054 0.000 1.125 244 E HN 0.293 nan 8.360 nan 0.000 0.384 245 P HA -0.320 nan 4.420 nan 0.000 0.218 245 P C 1.507 178.859 177.300 0.086 0.000 1.154 245 P CA 2.180 65.400 63.100 0.201 0.000 0.872 245 P CB 0.095 31.907 31.700 0.188 0.000 0.790 246 A N -0.497 122.350 122.820 0.045 0.000 1.997 246 A HA -0.190 4.130 4.320 0.001 0.000 0.221 246 A C 2.439 179.972 177.584 -0.085 0.000 1.172 246 A CA 2.271 54.308 52.037 -0.000 0.000 0.645 246 A CB -1.813 17.204 19.000 0.028 0.000 0.813 246 A HN 0.339 nan 8.150 nan 0.000 0.454 247 G N -2.433 106.280 108.800 -0.146 0.000 2.464 247 G HA2 -0.089 3.871 3.960 0.001 0.000 0.217 247 G HA3 -0.089 3.871 3.960 0.001 0.000 0.217 247 G C 1.421 175.747 174.900 -0.957 0.000 1.138 247 G CA 0.858 45.727 45.100 -0.385 0.000 0.793 247 G HN 0.664 nan 8.290 nan 0.000 0.539 248 Y N 1.614 121.221 120.300 -1.155 0.000 2.062 248 Y HA -0.091 4.459 4.550 0.001 0.000 0.272 248 Y C 3.049 178.685 175.900 -0.439 0.000 1.117 248 Y CA 1.476 59.096 58.100 -0.801 0.000 1.095 248 Y CB -0.219 38.072 38.460 -0.282 0.000 0.985 248 Y HN 0.254 nan 8.280 nan 0.000 0.479 249 A N 0.613 123.175 122.820 -0.429 0.000 1.927 249 A HA -0.302 4.018 4.320 0.001 0.000 0.220 249 A C 2.071 179.294 177.584 -0.602 0.000 1.185 249 A CA 2.021 53.723 52.037 -0.558 0.000 0.639 249 A CB -1.300 17.599 19.000 -0.168 0.000 0.820 249 A HN 0.615 nan 8.150 nan 0.000 0.451 250 L N -0.051 120.973 121.223 -0.332 0.000 2.353 250 L HA -0.091 4.249 4.340 0.001 0.000 0.220 250 L C 1.554 178.305 176.870 -0.199 0.000 1.133 250 L CA 2.472 57.191 54.840 -0.202 0.000 0.798 250 L CB -0.622 41.375 42.059 -0.103 0.000 0.922 250 L HN 0.548 nan 8.230 nan 0.000 0.445 251 D N -2.319 117.931 120.400 -0.250 0.000 2.354 251 D HA -0.079 4.561 4.640 0.001 0.000 0.209 251 D C 1.825 178.015 176.300 -0.184 0.000 1.015 251 D CA 0.369 54.282 54.000 -0.145 0.000 0.867 251 D CB 0.277 41.052 40.800 -0.042 0.000 0.933 251 D HN 0.246 nan 8.370 nan 0.000 0.520 252 L N -0.228 120.767 121.223 -0.381 0.000 2.307 252 L HA 0.160 4.500 4.340 0.001 0.000 0.211 252 L C 1.508 178.150 176.870 -0.380 0.000 1.099 252 L CA 0.571 55.161 54.840 -0.416 0.000 0.816 252 L CB -0.603 41.069 42.059 -0.646 0.000 0.952 252 L HN 0.131 nan 8.230 nan 0.000 0.455 253 F N 0.591 120.107 119.950 -0.723 0.000 2.407 253 F HA -0.089 4.438 4.527 0.000 0.000 0.299 253 F C 2.272 177.973 175.800 -0.165 0.000 1.097 253 F CA 1.067 58.851 58.000 -0.360 0.000 1.422 253 F CB -0.208 38.629 39.000 -0.272 0.000 1.067 253 F HN 0.047 nan 8.300 nan 0.000 0.539 254 K N 0.101 120.408 120.400 -0.156 0.000 2.021 254 K HA -0.131 4.189 4.320 0.001 0.000 0.205 254 K C 1.907 178.434 176.600 -0.122 0.000 1.047 254 K CA 1.251 57.430 56.287 -0.179 0.000 0.943 254 K CB -0.206 32.223 32.500 -0.118 0.000 0.725 254 K HN 0.299 nan 8.250 nan 0.000 0.439 255 Q N 0.074 119.827 119.800 -0.078 0.000 2.364 255 Q HA -0.062 4.279 4.340 0.001 0.000 0.207 255 Q C 1.896 177.891 176.000 -0.008 0.000 0.970 255 Q CA 1.064 56.847 55.803 -0.034 0.000 0.888 255 Q CB 0.192 28.921 28.738 -0.015 0.000 0.951 255 Q HN 0.240 nan 8.270 nan 0.000 0.469 256 S N 0.496 116.203 115.700 0.011 0.000 2.425 256 S HA 0.028 4.498 4.470 0.001 0.000 0.225 256 S C 1.863 176.468 174.600 0.007 0.000 1.024 256 S CA 0.398 58.640 58.200 0.071 0.000 0.951 256 S CB 0.112 63.444 63.200 0.220 0.000 0.796 256 S HN 0.248 nan 8.310 nan 0.000 0.498 257 L N 1.436 122.604 121.223 -0.092 0.000 1.993 257 L HA 0.002 4.342 4.340 0.001 0.000 0.206 257 L C 2.535 179.360 176.870 -0.075 0.000 1.074 257 L CA 1.154 55.912 54.840 -0.136 0.000 0.746 257 L CB -0.515 41.382 42.059 -0.270 0.000 0.896 257 L HN 0.185 nan 8.230 nan 0.000 0.435 258 K N 0.671 121.027 120.400 -0.074 0.000 2.242 258 K HA -0.254 4.067 4.320 0.001 0.000 0.206 258 K C 1.994 178.582 176.600 -0.021 0.000 1.045 258 K CA 1.619 57.879 56.287 -0.045 0.000 0.930 258 K CB 0.051 32.528 32.500 -0.038 0.000 0.726 258 K HN 0.265 nan 8.250 nan 0.000 0.462 259 K N -0.287 120.107 120.400 -0.010 0.000 2.167 259 K HA -0.048 4.272 4.320 0.001 0.000 0.203 259 K C 1.543 178.152 176.600 0.016 0.000 1.052 259 K CA 0.707 56.999 56.287 0.009 0.000 0.956 259 K CB 0.185 32.699 32.500 0.023 0.000 0.735 259 K HN 0.094 nan 8.250 nan 0.000 0.451 260 Q N -0.201 119.607 119.800 0.014 0.000 2.282 260 Q HA 0.086 4.426 4.340 0.001 0.000 0.205 260 Q C 0.961 176.968 176.000 0.011 0.000 0.915 260 Q CA 0.537 56.357 55.803 0.028 0.000 0.949 260 Q CB 0.771 29.534 28.738 0.042 0.000 1.035 260 Q HN 0.548 nan 8.270 nan 0.000 0.484 261 G N 1.150 109.948 108.800 -0.002 0.000 2.302 261 G HA2 -0.323 3.637 3.960 0.001 0.000 0.263 261 G HA3 -0.323 3.637 3.960 0.001 0.000 0.263 261 G C 0.481 175.369 174.900 -0.021 0.000 0.995 261 G CA 0.336 45.430 45.100 -0.010 0.000 0.622 261 G HN 0.447 nan 8.290 nan 0.000 0.538 262 I N 2.665 123.218 120.570 -0.028 0.000 2.618 262 I HA 0.366 4.536 4.170 0.001 0.000 0.284 262 I C 1.246 177.322 176.117 -0.068 0.000 1.146 262 I CA 0.743 62.015 61.300 -0.046 0.000 1.425 262 I CB 0.643 38.607 38.000 -0.060 0.000 1.383 262 I HN 0.356 nan 8.210 nan 0.000 0.562 263 T N 2.874 117.390 114.554 -0.063 0.000 2.883 263 T HA 0.766 5.116 4.350 0.001 0.000 0.284 263 T C -0.489 174.165 174.700 -0.077 0.000 1.041 263 T CA -0.818 61.241 62.100 -0.068 0.000 1.007 263 T CB 2.084 70.924 68.868 -0.046 0.000 1.220 263 T HN 0.236 nan 8.240 nan 0.000 0.552 264 V N 1.839 121.710 119.914 -0.072 0.000 2.524 264 V HA 0.369 4.489 4.120 0.001 0.000 0.297 264 V C 1.048 177.112 176.094 -0.050 0.000 1.035 264 V CA -1.026 61.232 62.300 -0.071 0.000 0.867 264 V CB 1.398 33.166 31.823 -0.092 0.000 1.004 264 V HN 1.086 nan 8.190 nan 0.000 0.426 265 K N 3.025 123.401 120.400 -0.040 0.000 2.167 265 K HA 0.147 4.467 4.320 0.001 0.000 0.203 265 K C 1.020 177.603 176.600 -0.028 0.000 1.052 265 K CA 1.033 57.302 56.287 -0.029 0.000 0.956 265 K CB 0.174 32.661 32.500 -0.022 0.000 0.735 265 K HN 0.706 nan 8.250 nan 0.000 0.451 266 G N 1.415 110.194 108.800 -0.034 0.000 2.516 266 G HA2 0.093 4.054 3.960 0.001 0.000 0.276 266 G HA3 0.093 4.054 3.960 0.001 0.000 0.276 266 G C -0.914 173.966 174.900 -0.034 0.000 1.390 266 G CA -0.513 44.568 45.100 -0.033 0.000 1.050 266 G HN 0.159 nan 8.290 nan 0.000 0.519 267 D N -0.795 119.586 120.400 -0.031 0.000 2.283 267 D HA 0.303 4.943 4.640 0.001 0.000 0.248 267 D C -0.173 176.106 176.300 -0.035 0.000 1.072 267 D CA -0.120 53.865 54.000 -0.024 0.000 0.929 267 D CB 2.252 43.045 40.800 -0.012 0.000 1.182 267 D HN 0.262 nan 8.370 nan 0.000 0.433 268 I N 1.320 121.877 120.570 -0.022 0.000 2.388 268 I HA 0.236 4.406 4.170 0.001 0.000 0.281 268 I C -0.516 175.602 176.117 0.002 0.000 1.046 268 I CA -0.437 60.848 61.300 -0.025 0.000 1.187 268 I CB -0.032 37.954 38.000 -0.024 0.000 1.351 268 I HN 0.349 nan 8.210 nan 0.000 0.472 269 K N 3.900 124.298 120.400 -0.005 0.000 2.263 269 K HA 0.639 4.959 4.320 0.001 0.000 0.249 269 K C -0.649 175.964 176.600 0.023 0.000 1.076 269 K CA -0.823 55.478 56.287 0.023 0.000 0.884 269 K CB 1.238 33.752 32.500 0.022 0.000 1.394 269 K HN 0.348 nan 8.250 nan 0.000 0.476 270 T N -1.843 112.739 114.554 0.046 0.000 2.837 270 T HA 0.707 5.057 4.350 0.001 0.000 0.285 270 T C 0.263 174.996 174.700 0.056 0.000 0.984 270 T CA -0.209 61.922 62.100 0.052 0.000 1.049 270 T CB 1.125 70.033 68.868 0.067 0.000 0.947 270 T HN 0.844 nan 8.240 nan 0.000 0.472 271 G N 1.212 110.055 108.800 0.072 0.000 2.619 271 G HA2 0.513 4.473 3.960 0.001 0.000 0.305 271 G HA3 0.513 4.473 3.960 0.001 0.000 0.305 271 G C -1.867 173.116 174.900 0.138 0.000 1.330 271 G CA -0.894 44.264 45.100 0.096 0.000 0.789 271 G HN 0.912 nan 8.290 nan 0.000 0.487 272 E N -0.273 120.023 120.200 0.161 0.000 2.171 272 E HA 0.614 4.964 4.350 0.001 0.000 0.271 272 E C 0.066 176.781 176.600 0.192 0.000 0.916 272 E CA -0.791 55.699 56.400 0.151 0.000 0.774 272 E CB 1.587 31.344 29.700 0.094 0.000 1.128 272 E HN 0.739 nan 8.360 nan 0.000 0.403 273 A N 5.870 128.759 122.820 0.114 0.000 2.409 273 A HA 0.363 4.683 4.320 0.001 0.000 0.267 273 A C -2.150 175.293 177.584 -0.235 0.000 1.127 273 A CA -1.298 50.607 52.037 -0.220 0.000 0.795 273 A CB 0.018 18.892 19.000 -0.210 0.000 1.061 273 A HN 0.540 nan 8.150 nan 0.000 0.502 274 P HA 0.044 nan 4.420 nan 0.000 0.268 274 P C 0.680 177.890 177.300 -0.150 0.000 1.204 274 P CA 0.071 63.066 63.100 -0.174 0.000 0.768 274 P CB 0.923 32.531 31.700 -0.153 0.000 0.842 275 S N 0.917 116.571 115.700 -0.077 0.000 2.626 275 S HA -0.098 4.373 4.470 0.001 0.000 0.245 275 S C 1.166 175.733 174.600 -0.054 0.000 0.973 275 S CA 0.837 59.006 58.200 -0.052 0.000 0.959 275 S CB -1.082 62.105 63.200 -0.021 0.000 0.762 275 S HN 0.582 nan 8.310 nan 0.000 0.539 276 S N 0.204 115.860 115.700 -0.072 0.000 2.603 276 S HA 0.222 4.692 4.470 0.001 0.000 0.232 276 S C 0.457 175.013 174.600 -0.073 0.000 1.016 276 S CA -0.207 57.959 58.200 -0.057 0.000 0.976 276 S CB -0.178 62.998 63.200 -0.040 0.000 0.921 276 S HN 0.500 nan 8.310 nan 0.000 0.516 277 S N 2.656 118.282 115.700 -0.123 0.000 2.423 277 S HA 0.270 4.740 4.470 0.001 0.000 0.302 277 S C -0.692 173.861 174.600 -0.078 0.000 1.143 277 S CA -0.664 57.455 58.200 -0.135 0.000 1.080 277 S CB -0.226 62.794 63.200 -0.299 0.000 1.081 277 S HN 0.237 nan 8.310 nan 0.000 0.522 278 D N 3.167 123.543 120.400 -0.040 0.000 2.531 278 D HA 0.098 4.738 4.640 0.001 0.000 0.239 278 D C 0.656 176.947 176.300 -0.014 0.000 1.144 278 D CA -0.029 53.958 54.000 -0.022 0.000 0.869 278 D CB 0.425 41.220 40.800 -0.008 0.000 1.160 278 D HN 0.363 nan 8.370 nan 0.000 0.484 279 V N 2.618 122.521 119.914 -0.019 0.000 3.139 279 V HA -0.049 4.072 4.120 0.001 0.000 0.307 279 V C 1.339 177.436 176.094 0.006 0.000 1.095 279 V CA -0.026 62.268 62.300 -0.011 0.000 1.160 279 V CB 0.798 32.605 31.823 -0.027 0.000 1.003 279 V HN 0.430 nan 8.190 nan 0.000 0.489 280 L N 2.329 123.564 121.223 0.021 0.000 2.694 280 L HA 0.422 4.763 4.340 0.001 0.000 0.228 280 L C -0.055 176.828 176.870 0.023 0.000 1.048 280 L CA 0.795 55.654 54.840 0.031 0.000 0.887 280 L CB 0.159 42.254 42.059 0.060 0.000 1.265 280 L HN 0.720 nan 8.230 nan 0.000 0.492 281 L N -3.970 117.264 121.223 0.018 0.000 2.465 281 L HA 0.847 5.187 4.340 0.001 0.000 0.257 281 L C -0.615 176.244 176.870 -0.018 0.000 0.988 281 L CA -0.657 54.186 54.840 0.005 0.000 0.827 281 L CB 2.089 44.163 42.059 0.024 0.000 1.397 281 L HN -0.214 nan 8.230 nan 0.000 0.410 282 S N 0.660 116.342 115.700 -0.029 0.000 2.733 282 S HA 0.505 4.975 4.470 0.001 0.000 0.294 282 S C -1.423 173.158 174.600 -0.032 0.000 1.149 282 S CA -0.486 57.685 58.200 -0.048 0.000 1.034 282 S CB 0.337 63.492 63.200 -0.074 0.000 1.015 282 S HN 1.063 nan 8.310 nan 0.000 0.486 283 H N 4.854 123.840 119.070 -0.139 0.000 2.463 283 H HA 0.575 5.131 4.556 0.000 0.000 0.332 283 H C -0.702 174.535 175.328 -0.152 0.000 1.127 283 H CA -0.471 55.490 56.048 -0.144 0.000 1.238 283 H CB 0.973 30.631 29.762 -0.172 0.000 1.478 283 H HN 0.635 nan 8.280 nan 0.000 0.499 284 R N 2.422 122.586 120.500 -0.560 0.000 2.599 284 R HA 0.252 4.592 4.340 0.001 0.000 0.295 284 R C 0.062 176.130 176.300 -0.387 0.000 0.963 284 R CA -0.867 55.032 56.100 -0.335 0.000 0.883 284 R CB 2.029 32.172 30.300 -0.262 0.000 1.171 284 R HN 0.793 nan 8.270 nan 0.000 0.450 285 S N 3.011 118.647 115.700 -0.106 0.000 2.641 285 S HA 0.311 4.781 4.470 0.001 0.000 0.261 285 S C 0.813 175.362 174.600 -0.085 0.000 1.257 285 S CA -0.850 57.329 58.200 -0.034 0.000 0.983 285 S CB 0.513 63.752 63.200 0.065 0.000 0.990 285 S HN 0.580 nan 8.310 nan 0.000 0.572 286 M N 0.144 119.702 119.600 -0.070 0.000 2.226 286 M HA 0.411 4.891 4.480 0.001 0.000 0.324 286 M C -2.367 173.906 176.300 -0.046 0.000 1.112 286 M CA -1.723 53.538 55.300 -0.065 0.000 1.176 286 M CB -0.589 31.976 32.600 -0.058 0.000 1.430 286 M HN 0.392 nan 8.290 nan 0.000 0.462 287 P HA 0.126 nan 4.420 nan 0.000 0.275 287 P C 0.518 177.796 177.300 -0.036 0.000 1.266 287 P CA -0.364 62.703 63.100 -0.055 0.000 0.793 287 P CB 0.824 32.484 31.700 -0.067 0.000 1.074 288 L N -0.040 121.143 121.223 -0.066 0.000 2.187 288 L HA -0.185 4.155 4.340 0.001 0.000 0.213 288 L C 2.604 179.327 176.870 -0.246 0.000 1.100 288 L CA 1.447 56.195 54.840 -0.154 0.000 0.765 288 L CB -0.900 40.925 42.059 -0.390 0.000 0.904 288 L HN 0.394 nan 8.230 nan 0.000 0.437 289 S N 0.033 115.625 115.700 -0.180 0.000 2.359 289 S HA -0.218 4.253 4.470 0.001 0.000 0.223 289 S C 1.950 176.550 174.600 -0.000 0.000 1.039 289 S CA 1.490 59.623 58.200 -0.111 0.000 1.042 289 S CB -0.119 63.047 63.200 -0.057 0.000 0.915 289 S HN 0.432 nan 8.310 nan 0.000 0.439 290 K N 0.518 120.928 120.400 0.016 0.000 2.116 290 K HA 0.129 4.449 4.320 0.001 0.000 0.203 290 K C 2.095 178.757 176.600 0.103 0.000 1.052 290 K CA 0.274 56.596 56.287 0.057 0.000 0.952 290 K CB -0.340 32.179 32.500 0.033 0.000 0.729 290 K HN 0.186 nan 8.250 nan 0.000 0.446 291 L N 1.170 122.444 121.223 0.084 0.000 2.013 291 L HA -0.172 4.168 4.340 0.001 0.000 0.212 291 L C 1.788 178.837 176.870 0.298 0.000 1.073 291 L CA 1.820 56.713 54.840 0.089 0.000 0.753 291 L CB -0.904 41.215 42.059 0.100 0.000 0.890 291 L HN 0.178 nan 8.230 nan 0.000 0.432 292 F N -1.229 118.778 119.950 0.096 0.000 2.494 292 F HA -0.193 4.335 4.527 0.000 0.000 0.298 292 F C 2.252 178.156 175.800 0.173 0.000 1.106 292 F CA 0.096 58.228 58.000 0.221 0.000 1.452 292 F CB 0.057 39.148 39.000 0.152 0.000 1.085 292 F HN -0.027 nan 8.300 nan 0.000 0.569 293 V N 1.137 121.224 119.914 0.289 0.000 2.283 293 V HA -0.160 3.960 4.120 0.001 0.000 0.243 293 V C -0.528 175.679 176.094 0.187 0.000 1.039 293 V CA 1.544 63.951 62.300 0.179 0.000 1.016 293 V CB -1.674 30.231 31.823 0.137 0.000 0.650 293 V HN 0.124 nan 8.190 nan 0.000 0.449 294 P HA -0.150 nan 4.420 nan 0.000 0.233 294 P C 1.577 179.103 177.300 0.376 0.000 1.167 294 P CA 1.329 64.611 63.100 0.304 0.000 0.770 294 P CB -0.057 31.919 31.700 0.460 0.000 0.837 295 F N 0.413 120.502 119.950 0.232 0.000 2.147 295 F HA 0.001 4.529 4.527 0.000 0.000 0.291 295 F C 2.026 177.818 175.800 -0.013 0.000 1.093 295 F CA 0.790 58.909 58.000 0.198 0.000 1.263 295 F CB -0.058 38.985 39.000 0.072 0.000 1.036 295 F HN -0.313 nan 8.300 nan 0.000 0.481 296 M N 0.205 119.615 119.600 -0.316 0.000 2.501 296 M HA 0.034 4.515 4.480 0.001 0.000 0.261 296 M C 1.594 177.755 176.300 -0.231 0.000 1.129 296 M CA 0.963 55.972 55.300 -0.486 0.000 1.126 296 M CB -0.596 31.727 32.600 -0.462 0.000 1.359 296 M HN 0.150 nan 8.290 nan 0.000 0.471 297 K N 0.341 120.681 120.400 -0.100 0.000 2.166 297 K HA 0.158 4.478 4.320 0.001 0.000 0.201 297 K C 1.788 178.355 176.600 -0.055 0.000 1.052 297 K CA 0.745 56.995 56.287 -0.062 0.000 0.969 297 K CB 0.308 32.798 32.500 -0.016 0.000 0.761 297 K HN 0.262 nan 8.250 nan 0.000 0.459 298 L N 0.052 121.255 121.223 -0.033 0.000 2.554 298 L HA 0.134 4.475 4.340 0.001 0.000 0.225 298 L C 0.491 177.335 176.870 -0.043 0.000 1.104 298 L CA -0.197 54.617 54.840 -0.043 0.000 0.866 298 L CB 0.443 42.478 42.059 -0.040 0.000 1.047 298 L HN 0.039 nan 8.230 nan 0.000 0.468 299 S N 1.605 117.265 115.700 -0.067 0.000 3.978 299 S HA -0.178 4.292 4.470 0.001 0.000 0.402 299 S C 0.140 174.742 174.600 0.004 0.000 0.927 299 S CA -0.057 58.088 58.200 -0.092 0.000 1.197 299 S CB -1.465 61.680 63.200 -0.092 0.000 0.855 299 S HN 0.573 nan 8.310 nan 0.000 0.524 300 N N 1.894 120.643 118.700 0.083 0.000 2.405 300 N HA 0.184 4.924 4.740 0.001 0.000 0.260 300 N C 1.156 176.757 175.510 0.152 0.000 1.152 300 N CA 0.241 53.320 53.050 0.048 0.000 0.948 300 N CB 0.093 38.401 38.487 -0.299 0.000 1.111 300 N HN 0.719 nan 8.380 nan 0.000 0.485 301 N N 2.143 120.896 118.700 0.088 0.000 2.331 301 N HA -0.086 4.654 4.740 0.001 0.000 0.180 301 N C 1.639 177.211 175.510 0.104 0.000 1.019 301 N CA 0.611 53.730 53.050 0.114 0.000 0.881 301 N CB 0.129 38.658 38.487 0.070 0.000 0.972 301 N HN 0.563 nan 8.380 nan 0.000 0.435 302 G N 1.272 110.094 108.800 0.037 0.000 2.418 302 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 302 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 302 G C 1.129 176.060 174.900 0.052 0.000 1.158 302 G CA 0.781 45.912 45.100 0.051 0.000 0.771 302 G HN 0.325 nan 8.290 nan 0.000 0.545 303 H N 1.169 120.196 119.070 -0.071 0.000 2.321 303 H HA 0.028 4.584 4.556 0.000 0.000 0.300 303 H C 2.951 177.990 175.328 -0.481 0.000 1.087 303 H CA 1.041 56.881 56.048 -0.346 0.000 1.319 303 H CB -1.016 28.418 29.762 -0.547 0.000 1.379 303 H HN 0.348 nan 8.280 nan 0.000 0.501 304 A N 1.549 124.260 122.820 -0.181 0.000 1.927 304 A HA -0.246 4.075 4.320 0.001 0.000 0.220 304 A C 2.291 179.894 177.584 0.030 0.000 1.185 304 A CA 2.153 54.194 52.037 0.006 0.000 0.639 304 A CB -0.208 18.990 19.000 0.329 0.000 0.820 304 A HN 0.336 nan 8.150 nan 0.000 0.451 305 E N -0.491 119.759 120.200 0.083 0.000 2.051 305 E HA -0.096 4.254 4.350 0.001 0.000 0.189 305 E C 2.354 178.864 176.600 -0.151 0.000 0.979 305 E CA 1.487 57.955 56.400 0.113 0.000 0.803 305 E CB -1.176 28.734 29.700 0.349 0.000 0.761 305 E HN 0.689 nan 8.360 nan 0.000 0.451 306 V N -0.293 119.524 119.914 -0.160 0.000 2.720 306 V HA -0.163 3.957 4.120 0.001 0.000 0.256 306 V C 2.125 178.174 176.094 -0.075 0.000 1.082 306 V CA 1.280 63.456 62.300 -0.206 0.000 1.101 306 V CB -0.655 31.043 31.823 -0.209 0.000 0.693 306 V HN 0.114 nan 8.190 nan 0.000 0.479 307 L N -0.388 120.798 121.223 -0.062 0.000 2.072 307 L HA -0.040 4.301 4.340 0.001 0.000 0.205 307 L C 2.684 179.528 176.870 -0.044 0.000 1.079 307 L CA 1.315 56.161 54.840 0.009 0.000 0.752 307 L CB -0.398 41.632 42.059 -0.049 0.000 0.906 307 L HN 0.268 nan 8.230 nan 0.000 0.436 308 V N -0.108 119.760 119.914 -0.078 0.000 2.407 308 V HA -0.279 3.842 4.120 0.001 0.000 0.248 308 V C 2.432 178.406 176.094 -0.201 0.000 1.055 308 V CA 1.681 63.933 62.300 -0.080 0.000 1.049 308 V CB -0.459 31.369 31.823 0.007 0.000 0.662 308 V HN 0.389 nan 8.190 nan 0.000 0.455 309 K N -0.368 119.805 120.400 -0.379 0.000 2.062 309 K HA -0.165 4.156 4.320 0.001 0.000 0.205 309 K C 2.253 178.695 176.600 -0.263 0.000 1.051 309 K CA 1.220 57.188 56.287 -0.532 0.000 0.941 309 K CB -0.113 31.750 32.500 -1.062 0.000 0.719 309 K HN 0.296 nan 8.250 nan 0.000 0.440 310 E N 1.120 121.282 120.200 -0.062 0.000 2.070 310 E HA -0.182 4.168 4.350 0.001 0.000 0.197 310 E C 1.772 178.361 176.600 -0.017 0.000 1.004 310 E CA 1.681 58.171 56.400 0.150 0.000 0.805 310 E CB -0.045 29.782 29.700 0.212 0.000 0.744 310 E HN 0.210 nan 8.360 nan 0.000 0.451 311 M N -1.159 118.395 119.600 -0.076 0.000 2.213 311 M HA -0.064 4.416 4.480 0.001 0.000 0.263 311 M C 2.159 178.415 176.300 -0.074 0.000 1.062 311 M CA 1.500 56.749 55.300 -0.084 0.000 1.105 311 M CB -0.276 32.285 32.600 -0.065 0.000 1.385 311 M HN 0.237 nan 8.290 nan 0.000 0.417 312 G N 0.002 108.747 108.800 -0.091 0.000 2.511 312 G HA2 -0.158 3.802 3.960 0.001 0.000 0.217 312 G HA3 -0.158 3.802 3.960 0.001 0.000 0.217 312 G C 1.584 176.416 174.900 -0.113 0.000 1.133 312 G CA 0.629 45.672 45.100 -0.095 0.000 0.792 312 G HN 0.244 nan 8.290 nan 0.000 0.539 313 K N 0.479 120.802 120.400 -0.128 0.000 2.029 313 K HA 0.112 4.433 4.320 0.001 0.000 0.205 313 K C 2.399 178.889 176.600 -0.184 0.000 1.042 313 K CA 0.945 57.093 56.287 -0.232 0.000 0.949 313 K CB -0.743 31.528 32.500 -0.381 0.000 0.740 313 K HN 0.046 nan 8.250 nan 0.000 0.442 314 V N 1.032 120.895 119.914 -0.084 0.000 2.626 314 V HA -0.121 3.999 4.120 0.001 0.000 0.252 314 V C 2.104 178.181 176.094 -0.029 0.000 1.067 314 V CA 1.827 64.119 62.300 -0.015 0.000 1.081 314 V CB -0.357 31.492 31.823 0.043 0.000 0.686 314 V HN 0.275 nan 8.190 nan 0.000 0.468 315 K N -0.610 119.761 120.400 -0.048 0.000 2.287 315 K HA 0.127 4.447 4.320 0.001 0.000 0.199 315 K C 1.968 178.544 176.600 -0.041 0.000 1.061 315 K CA 0.618 56.883 56.287 -0.038 0.000 0.976 315 K CB 0.218 32.696 32.500 -0.036 0.000 0.898 315 K HN 0.074 nan 8.250 nan 0.000 0.492 316 K N -1.431 118.937 120.400 -0.054 0.000 2.367 316 K HA 0.303 4.624 4.320 0.001 0.000 0.195 316 K C 0.801 177.362 176.600 -0.064 0.000 1.060 316 K CA 0.820 57.077 56.287 -0.050 0.000 1.022 316 K CB 1.426 33.900 32.500 -0.044 0.000 0.894 316 K HN 0.320 nan 8.250 nan 0.000 0.540 317 G N 1.851 110.594 108.800 -0.095 0.000 2.213 317 G HA2 -0.258 3.702 3.960 0.001 0.000 0.226 317 G HA3 -0.258 3.702 3.960 0.001 0.000 0.226 317 G C -0.013 174.801 174.900 -0.144 0.000 0.992 317 G CA 0.247 45.276 45.100 -0.118 0.000 0.632 317 G HN 0.310 nan 8.290 nan 0.000 0.511 318 E N 0.661 120.789 120.200 -0.121 0.000 2.207 318 E HA 0.534 4.884 4.350 0.001 0.000 0.250 318 E C 0.720 177.247 176.600 -0.123 0.000 0.890 318 E CA -0.329 56.004 56.400 -0.111 0.000 0.749 318 E CB 0.474 30.135 29.700 -0.065 0.000 1.193 318 E HN 0.438 nan 8.360 nan 0.000 0.423 319 G N 3.467 112.183 108.800 -0.140 0.000 2.924 319 G HA2 0.158 4.119 3.960 0.001 0.000 0.273 319 G HA3 0.158 4.119 3.960 0.001 0.000 0.273 319 G C -0.151 174.630 174.900 -0.199 0.000 0.734 319 G CA 0.110 45.146 45.100 -0.107 0.000 2.065 319 G HN 0.390 nan 8.290 nan 0.000 0.580 320 S N -0.138 115.446 115.700 -0.194 0.000 2.632 320 S HA 0.424 4.894 4.470 0.001 0.000 0.289 320 S C 0.598 175.105 174.600 -0.155 0.000 1.115 320 S CA -1.011 57.078 58.200 -0.184 0.000 0.889 320 S CB 1.394 64.570 63.200 -0.040 0.000 1.116 320 S HN 0.347 nan 8.310 nan 0.000 0.486 321 W N 1.785 123.050 121.300 -0.058 0.000 2.364 321 W HA -0.075 4.585 4.660 0.001 0.000 0.281 321 W C 1.898 178.401 176.519 -0.027 0.000 1.219 321 W CA 1.655 58.974 57.345 -0.043 0.000 1.220 321 W CB -0.522 28.920 29.460 -0.029 0.000 1.127 321 W HN 0.865 nan 8.180 nan 0.000 0.556 322 E N 0.626 120.934 120.200 0.179 0.000 2.017 322 E HA -0.200 4.151 4.350 0.001 0.000 0.193 322 E C 1.737 178.372 176.600 0.059 0.000 0.997 322 E CA 1.309 57.773 56.400 0.106 0.000 0.804 322 E CB -0.859 28.886 29.700 0.075 0.000 0.757 322 E HN 0.092 nan 8.360 nan 0.000 0.448 323 K N 0.761 121.174 120.400 0.021 0.000 2.217 323 K HA 0.050 4.371 4.320 0.001 0.000 0.202 323 K C 2.042 178.636 176.600 -0.010 0.000 1.051 323 K CA 0.967 57.252 56.287 -0.004 0.000 0.952 323 K CB -0.735 31.747 32.500 -0.030 0.000 0.736 323 K HN 0.289 nan 8.250 nan 0.000 0.453 324 G N 0.869 109.656 108.800 -0.020 0.000 2.484 324 G HA2 -0.225 3.736 3.960 0.001 0.000 0.215 324 G HA3 -0.225 3.736 3.960 0.001 0.000 0.215 324 G C 1.333 176.250 174.900 0.028 0.000 1.219 324 G CA 0.705 45.788 45.100 -0.029 0.000 0.791 324 G HN 0.204 nan 8.290 nan 0.000 0.550 325 L N 0.365 121.637 121.223 0.081 0.000 2.353 325 L HA -0.014 4.326 4.340 0.001 0.000 0.220 325 L C 2.638 179.545 176.870 0.061 0.000 1.133 325 L CA 0.813 55.707 54.840 0.091 0.000 0.798 325 L CB -0.317 41.812 42.059 0.117 0.000 0.922 325 L HN 0.361 nan 8.230 nan 0.000 0.445 326 E N 0.300 120.528 120.200 0.045 0.000 2.028 326 E HA -0.200 4.150 4.350 0.001 0.000 0.191 326 E C 2.244 178.859 176.600 0.024 0.000 0.988 326 E CA 1.738 58.156 56.400 0.031 0.000 0.799 326 E CB 0.079 29.791 29.700 0.021 0.000 0.755 326 E HN 0.399 nan 8.360 nan 0.000 0.447 327 V N -0.337 119.586 119.914 0.015 0.000 2.548 327 V HA -0.150 3.970 4.120 0.001 0.000 0.249 327 V C 2.234 178.344 176.094 0.027 0.000 1.055 327 V CA 1.317 63.623 62.300 0.010 0.000 1.065 327 V CB -0.571 31.248 31.823 -0.006 0.000 0.681 327 V HN 0.280 nan 8.190 nan 0.000 0.462 328 L N 0.910 122.158 121.223 0.040 0.000 2.042 328 L HA -0.194 4.146 4.340 0.001 0.000 0.210 328 L C 2.429 179.345 176.870 0.076 0.000 1.076 328 L CA 2.525 57.405 54.840 0.066 0.000 0.749 328 L CB -0.439 41.665 42.059 0.075 0.000 0.893 328 L HN 0.410 nan 8.230 nan 0.000 0.432 329 N N -1.164 117.572 118.700 0.061 0.000 2.396 329 N HA -0.120 4.620 4.740 0.001 0.000 0.180 329 N C 1.733 177.271 175.510 0.047 0.000 1.028 329 N CA 1.210 54.295 53.050 0.058 0.000 0.893 329 N CB 0.137 38.652 38.487 0.047 0.000 0.967 329 N HN 0.244 nan 8.380 nan 0.000 0.440 330 S N -1.015 114.705 115.700 0.033 0.000 2.388 330 S HA -0.082 4.388 4.470 0.001 0.000 0.223 330 S C 2.104 176.703 174.600 -0.001 0.000 1.034 330 S CA 1.344 59.552 58.200 0.013 0.000 0.963 330 S CB -0.453 62.749 63.200 0.004 0.000 0.827 330 S HN 0.606 nan 8.310 nan 0.000 0.481 331 T N 1.178 115.742 114.554 0.016 0.000 2.995 331 T HA 0.164 4.514 4.350 0.001 0.000 0.269 331 T C 1.731 176.426 174.700 -0.009 0.000 1.091 331 T CA 0.446 62.539 62.100 -0.011 0.000 1.128 331 T CB -0.573 68.331 68.868 0.061 0.000 0.891 331 T HN 0.214 nan 8.240 nan 0.000 0.492 332 L N 1.054 122.346 121.223 0.114 0.000 2.017 332 L HA 0.012 4.353 4.340 0.001 0.000 0.208 332 L C -0.307 176.629 176.870 0.109 0.000 1.073 332 L CA 1.438 56.415 54.840 0.228 0.000 0.745 332 L CB -1.692 40.481 42.059 0.191 0.000 0.894 332 L HN 0.208 nan 8.230 nan 0.000 0.432 333 P HA -0.236 nan 4.420 nan 0.000 0.218 333 P C 0.887 178.146 177.300 -0.068 0.000 1.147 333 P CA 1.472 64.571 63.100 -0.002 0.000 0.827 333 P CB -0.153 31.539 31.700 -0.014 0.000 0.778 334 E N -1.965 118.096 120.200 -0.232 0.000 2.463 334 E HA -0.031 4.319 4.350 0.001 0.000 0.191 334 E C 0.249 176.579 176.600 -0.450 0.000 1.083 334 E CA 0.334 56.515 56.400 -0.365 0.000 0.872 334 E CB -0.632 28.766 29.700 -0.503 0.000 0.966 334 E HN 0.227 nan 8.360 nan 0.000 0.491 335 F N -0.320 119.665 119.950 0.058 0.000 2.729 335 F HA 0.428 4.955 4.527 0.001 0.000 0.315 335 F C 1.505 177.344 175.800 0.065 0.000 1.102 335 F CA -0.200 57.836 58.000 0.059 0.000 1.204 335 F CB 1.457 40.506 39.000 0.081 0.000 1.052 335 F HN 0.189 nan 8.300 nan 0.000 0.551 336 G N 0.585 109.496 108.800 0.184 0.000 2.195 336 G HA2 -0.233 3.727 3.960 0.001 0.000 0.246 336 G HA3 -0.233 3.727 3.960 0.001 0.000 0.246 336 G C 0.197 175.175 174.900 0.131 0.000 0.984 336 G CA 0.066 45.255 45.100 0.148 0.000 0.633 336 G HN 0.500 nan 8.290 nan 0.000 0.525 337 V N -1.369 118.636 119.914 0.152 0.000 2.686 337 V HA 0.740 4.860 4.120 0.001 0.000 0.295 337 V C -0.006 176.141 176.094 0.088 0.000 1.057 337 V CA -0.537 61.835 62.300 0.120 0.000 1.012 337 V CB 2.043 33.950 31.823 0.141 0.000 1.006 337 V HN 0.137 nan 8.190 nan 0.000 0.477 338 D N 2.847 123.287 120.400 0.067 0.000 2.467 338 D HA 0.268 4.908 4.640 0.001 0.000 0.220 338 D C 1.412 177.742 176.300 0.049 0.000 1.103 338 D CA 0.432 54.462 54.000 0.050 0.000 0.886 338 D CB 1.227 42.050 40.800 0.038 0.000 1.025 338 D HN 0.885 nan 8.370 nan 0.000 0.514 339 S N 3.417 119.148 115.700 0.052 0.000 2.462 339 S HA -0.186 4.284 4.470 0.001 0.000 0.243 339 S C 1.536 176.160 174.600 0.040 0.000 1.003 339 S CA 0.688 58.919 58.200 0.051 0.000 0.970 339 S CB -0.026 63.204 63.200 0.051 0.000 0.762 339 S HN 0.283 nan 8.310 nan 0.000 0.510 340 K N 1.099 121.519 120.400 0.033 0.000 2.418 340 K HA 0.266 4.586 4.320 0.001 0.000 0.195 340 K C 1.182 177.797 176.600 0.025 0.000 1.035 340 K CA 0.425 56.728 56.287 0.026 0.000 1.003 340 K CB -0.155 32.357 32.500 0.021 0.000 0.793 340 K HN 0.424 nan 8.250 nan 0.000 0.494 341 S N 0.976 116.693 115.700 0.028 0.000 2.572 341 S HA 0.134 4.604 4.470 0.001 0.000 0.228 341 S C 0.155 174.772 174.600 0.027 0.000 0.963 341 S CA -0.405 57.810 58.200 0.025 0.000 0.939 341 S CB -0.123 63.092 63.200 0.024 0.000 0.804 341 S HN 0.166 nan 8.310 nan 0.000 0.480 342 L N -2.105 119.137 121.223 0.031 0.000 2.393 342 L HA 0.859 5.200 4.340 0.001 0.000 0.260 342 L C -0.967 175.922 176.870 0.030 0.000 1.002 342 L CA -1.114 53.745 54.840 0.032 0.000 0.818 342 L CB 1.240 43.323 42.059 0.039 0.000 1.369 342 L HN -0.230 nan 8.230 nan 0.000 0.412 343 V N 2.860 122.790 119.914 0.027 0.000 2.378 343 V HA 0.540 4.660 4.120 0.001 0.000 0.288 343 V C -0.301 175.807 176.094 0.025 0.000 1.016 343 V CA -0.352 61.963 62.300 0.024 0.000 0.840 343 V CB 1.283 33.118 31.823 0.019 0.000 0.994 343 V HN 0.650 nan 8.190 nan 0.000 0.431 344 L N 5.854 127.095 121.223 0.031 0.000 2.298 344 L HA 0.627 4.967 4.340 0.001 0.000 0.284 344 L C 0.970 177.857 176.870 0.027 0.000 1.013 344 L CA -0.573 54.288 54.840 0.035 0.000 0.824 344 L CB 1.721 43.812 42.059 0.054 0.000 1.221 344 L HN 0.532 nan 8.230 nan 0.000 0.418 345 R N 1.369 121.873 120.500 0.007 0.000 2.254 345 R HA 0.209 4.549 4.340 0.001 0.000 0.193 345 R C -0.459 175.807 176.300 -0.057 0.000 0.929 345 R CA 0.212 56.297 56.100 -0.024 0.000 1.038 345 R CB 0.244 30.518 30.300 -0.044 0.000 1.009 345 R HN 0.845 nan 8.270 nan 0.000 0.512 346 D N -3.108 117.283 120.400 -0.016 0.000 2.768 346 D HA 0.217 4.857 4.640 0.001 0.000 0.327 346 D C 0.638 177.004 176.300 0.110 0.000 1.302 346 D CA -0.436 53.572 54.000 0.014 0.000 0.897 346 D CB -0.001 40.730 40.800 -0.114 0.000 1.420 346 D HN -0.143 nan 8.370 nan 0.000 0.494 347 G N -0.917 108.000 108.800 0.194 0.000 2.510 347 G HA2 -0.030 3.930 3.960 0.001 0.000 0.212 347 G HA3 -0.030 3.930 3.960 0.001 0.000 0.212 347 G C 1.262 176.248 174.900 0.143 0.000 1.151 347 G CA 0.814 46.017 45.100 0.171 0.000 0.817 347 G HN 0.579 nan 8.290 nan 0.000 0.534 348 S N -0.020 115.762 115.700 0.137 0.000 2.382 348 S HA 0.226 4.696 4.470 0.001 0.000 0.228 348 S C 2.038 176.657 174.600 0.031 0.000 1.027 348 S CA 1.477 59.740 58.200 0.105 0.000 0.991 348 S CB -0.441 62.812 63.200 0.090 0.000 0.823 348 S HN 1.582 nan 8.310 nan 0.000 0.469 349 G N 0.826 109.630 108.800 0.005 0.000 2.159 349 G HA2 -0.235 3.725 3.960 0.001 0.000 0.227 349 G HA3 -0.235 3.725 3.960 0.001 0.000 0.227 349 G C 0.445 175.297 174.900 -0.081 0.000 0.986 349 G CA 0.202 45.280 45.100 -0.037 0.000 0.651 349 G HN 0.600 nan 8.290 nan 0.000 0.523 350 I N 1.039 121.569 120.570 -0.067 0.000 2.614 350 I HA 0.155 4.325 4.170 0.001 0.000 0.258 350 I C 1.603 177.662 176.117 -0.096 0.000 1.189 350 I CA 1.215 62.463 61.300 -0.087 0.000 1.462 350 I CB -0.007 37.971 38.000 -0.037 0.000 1.092 350 I HN 0.306 nan 8.210 nan 0.000 0.442 351 S N 0.063 115.717 115.700 -0.077 0.000 2.528 351 S HA 0.027 4.497 4.470 0.001 0.000 0.277 351 S C 1.088 175.652 174.600 -0.059 0.000 1.297 351 S CA -0.323 57.853 58.200 -0.040 0.000 1.052 351 S CB 0.271 63.446 63.200 -0.041 0.000 0.917 351 S HN 0.368 nan 8.310 nan 0.000 0.492 352 H N 4.374 123.425 119.070 -0.031 0.000 2.556 352 H HA 0.130 4.687 4.556 0.001 0.000 0.268 352 H C 1.135 176.452 175.328 -0.017 0.000 0.996 352 H CA 0.889 56.923 56.048 -0.024 0.000 1.157 352 H CB 0.241 29.990 29.762 -0.021 0.000 1.355 352 H HN 0.621 nan 8.280 nan 0.000 0.597 353 I N -0.121 120.490 120.570 0.068 0.000 3.228 353 I HA -0.053 4.118 4.170 0.001 0.000 0.279 353 I C 0.268 176.394 176.117 0.014 0.000 1.221 353 I CA 0.008 61.331 61.300 0.038 0.000 1.458 353 I CB 0.136 38.150 38.000 0.022 0.000 1.105 353 I HN -0.087 nan 8.210 nan 0.000 0.445 354 D N 3.095 123.492 120.400 -0.005 0.000 2.493 354 D HA 0.230 4.870 4.640 0.001 0.000 0.240 354 D C 0.030 176.327 176.300 -0.004 0.000 1.142 354 D CA 0.627 54.621 54.000 -0.009 0.000 0.872 354 D CB 1.076 41.860 40.800 -0.028 0.000 1.173 354 D HN 0.194 nan 8.370 nan 0.000 0.467 355 A N 2.612 125.436 122.820 0.007 0.000 2.446 355 A HA 0.555 4.875 4.320 0.001 0.000 0.282 355 A C -0.851 176.743 177.584 0.017 0.000 1.102 355 A CA -0.628 51.416 52.037 0.011 0.000 0.737 355 A CB 1.078 20.088 19.000 0.016 0.000 1.212 355 A HN 0.257 nan 8.150 nan 0.000 0.434 356 V N 1.499 121.422 119.914 0.016 0.000 2.962 356 V HA 0.757 4.877 4.120 0.001 0.000 0.313 356 V C 0.531 176.639 176.094 0.023 0.000 1.099 356 V CA -0.377 61.937 62.300 0.023 0.000 0.971 356 V CB 2.070 33.907 31.823 0.023 0.000 1.028 356 V HN 1.127 nan 8.190 nan 0.000 0.430 357 S N 1.067 116.784 115.700 0.028 0.000 2.730 357 S HA 0.369 4.839 4.470 0.001 0.000 0.284 357 S C 1.206 175.827 174.600 0.036 0.000 1.153 357 S CA 0.172 58.391 58.200 0.031 0.000 0.995 357 S CB 1.524 64.741 63.200 0.028 0.000 1.058 357 S HN 1.161 nan 8.310 nan 0.000 0.552 358 S N -0.133 115.594 115.700 0.044 0.000 2.414 358 S HA -0.053 4.418 4.470 0.001 0.000 0.227 358 S C 0.961 175.590 174.600 0.049 0.000 1.022 358 S CA 0.778 59.010 58.200 0.054 0.000 0.958 358 S CB -0.766 62.482 63.200 0.080 0.000 0.797 358 S HN 0.708 nan 8.310 nan 0.000 0.493 359 D N 1.952 122.376 120.400 0.040 0.000 2.144 359 D HA -0.049 4.592 4.640 0.001 0.000 0.199 359 D C 2.266 178.590 176.300 0.040 0.000 0.984 359 D CA 1.233 55.253 54.000 0.033 0.000 0.834 359 D CB -0.286 40.525 40.800 0.019 0.000 0.955 359 D HN 0.595 nan 8.370 nan 0.000 0.465 360 Q N -0.436 119.389 119.800 0.042 0.000 2.062 360 Q HA -0.036 4.304 4.340 0.001 0.000 0.196 360 Q C 2.053 178.086 176.000 0.056 0.000 0.967 360 Q CA 0.353 56.188 55.803 0.054 0.000 0.832 360 Q CB -0.086 28.683 28.738 0.052 0.000 0.899 360 Q HN 0.139 nan 8.270 nan 0.000 0.442 361 L N 1.026 122.273 121.223 0.040 0.000 2.127 361 L HA -0.175 4.166 4.340 0.001 0.000 0.211 361 L C 2.256 179.132 176.870 0.009 0.000 1.089 361 L CA 2.168 57.024 54.840 0.025 0.000 0.757 361 L CB -0.655 41.411 42.059 0.012 0.000 0.899 361 L HN 0.241 nan 8.230 nan 0.000 0.434 362 S N -1.883 113.827 115.700 0.017 0.000 2.406 362 S HA -0.191 4.280 4.470 0.001 0.000 0.224 362 S C 1.921 176.557 174.600 0.061 0.000 1.030 362 S CA 0.679 58.883 58.200 0.006 0.000 0.958 362 S CB -0.554 62.663 63.200 0.028 0.000 0.811 362 S HN 0.503 nan 8.310 nan 0.000 0.489 363 Q N 1.317 121.167 119.800 0.083 0.000 2.197 363 Q HA -0.077 4.263 4.340 0.001 0.000 0.207 363 Q C 1.944 178.051 176.000 0.179 0.000 0.984 363 Q CA 1.608 57.497 55.803 0.143 0.000 0.869 363 Q CB -0.785 28.023 28.738 0.116 0.000 0.906 363 Q HN 0.588 nan 8.270 nan 0.000 0.426 364 L N -0.581 120.707 121.223 0.109 0.000 2.005 364 L HA -0.065 4.275 4.340 0.001 0.000 0.207 364 L C 2.024 178.904 176.870 0.017 0.000 1.072 364 L CA 1.628 56.503 54.840 0.058 0.000 0.744 364 L CB -0.455 41.620 42.059 0.028 0.000 0.895 364 L HN 0.380 nan 8.230 nan 0.000 0.433 365 L N -1.411 119.836 121.223 0.040 0.000 2.079 365 L HA -0.256 4.085 4.340 0.001 0.000 0.210 365 L C 2.545 179.534 176.870 0.198 0.000 1.081 365 L CA 1.836 56.731 54.840 0.092 0.000 0.752 365 L CB -0.953 40.976 42.059 -0.216 0.000 0.896 365 L HN 0.447 nan 8.230 nan 0.000 0.433 366 Y N 0.743 121.074 120.300 0.053 0.000 2.220 366 Y HA -0.227 4.323 4.550 0.001 0.000 0.291 366 Y C 2.005 177.898 175.900 -0.012 0.000 1.129 366 Y CA 1.724 59.856 58.100 0.052 0.000 1.161 366 Y CB -0.149 38.330 38.460 0.032 0.000 0.997 366 Y HN 0.134 nan 8.280 nan 0.000 0.522 367 D N 0.251 120.475 120.400 -0.293 0.000 2.363 367 D HA -0.029 4.611 4.640 0.001 0.000 0.226 367 D C 1.456 177.603 176.300 -0.256 0.000 1.020 367 D CA 1.033 54.826 54.000 -0.344 0.000 0.892 367 D CB -0.349 40.489 40.800 0.064 0.000 0.900 367 D HN 0.662 nan 8.370 nan 0.000 0.531 368 I N -3.555 116.815 120.570 -0.333 0.000 4.070 368 I HA 0.133 4.304 4.170 0.001 0.000 0.328 368 I C 1.491 177.199 176.117 -0.680 0.000 1.298 368 I CA -0.300 60.747 61.300 -0.422 0.000 1.173 368 I CB -0.154 37.571 38.000 -0.459 0.000 1.051 368 I HN -0.191 nan 8.210 nan 0.000 0.409 369 Q N 2.349 121.567 119.800 -0.971 0.000 2.376 369 Q HA -0.218 4.122 4.340 0.001 0.000 0.211 369 Q C 1.499 176.839 176.000 -1.100 0.000 0.986 369 Q CA 1.968 56.681 55.803 -1.817 0.000 0.886 369 Q CB -0.270 27.764 28.738 -1.173 0.000 0.927 369 Q HN 0.759 nan 8.270 nan 0.000 0.457 370 D N -0.659 119.339 120.400 -0.670 0.000 2.301 370 D HA -0.082 4.559 4.640 0.001 0.000 0.206 370 D C 0.254 176.326 176.300 -0.379 0.000 0.979 370 D CA 0.144 53.888 54.000 -0.427 0.000 0.874 370 D CB 0.077 40.698 40.800 -0.299 0.000 0.968 370 D HN 0.009 nan 8.370 nan 0.000 0.510 371 Q N 1.627 121.129 119.800 -0.498 0.000 2.315 371 Q HA 0.012 4.353 4.340 0.001 0.000 0.289 371 Q C 1.713 177.354 176.000 -0.599 0.000 1.044 371 Q CA 0.279 55.714 55.803 -0.612 0.000 0.920 371 Q CB 1.496 29.534 28.738 -1.167 0.000 1.214 371 Q HN 0.309 nan 8.270 nan 0.000 0.392 372 S N 3.068 118.555 115.700 -0.354 0.000 2.380 372 S HA -0.194 4.277 4.470 0.001 0.000 0.229 372 S C 1.372 175.910 174.600 -0.105 0.000 1.050 372 S CA 1.812 59.923 58.200 -0.148 0.000 1.100 372 S CB -0.730 62.472 63.200 0.004 0.000 0.984 372 S HN 0.861 nan 8.310 nan 0.000 0.434 373 W N 0.369 121.717 121.300 0.079 0.000 2.874 373 W HA 0.124 4.784 4.660 0.000 0.000 0.242 373 W C 1.291 177.882 176.519 0.119 0.000 1.285 373 W CA -0.383 57.003 57.345 0.069 0.000 1.379 373 W CB -1.212 28.275 29.460 0.044 0.000 1.137 373 W HN 0.265 nan 8.180 nan 0.000 0.683 374 F N 2.856 122.586 119.950 -0.367 0.000 2.202 374 F HA -0.231 4.297 4.527 0.001 0.000 0.301 374 F C 2.376 178.200 175.800 0.040 0.000 1.082 374 F CA 2.071 59.914 58.000 -0.263 0.000 1.313 374 F CB -0.493 38.265 39.000 -0.402 0.000 1.024 374 F HN -0.205 nan 8.300 nan 0.000 0.495 375 S N 0.639 116.357 115.700 0.030 0.000 2.398 375 S HA -0.276 4.195 4.470 0.001 0.000 0.220 375 S C 2.316 176.892 174.600 -0.039 0.000 1.038 375 S CA 1.553 59.737 58.200 -0.027 0.000 1.080 375 S CB -1.263 61.954 63.200 0.029 0.000 1.039 375 S HN 0.508 nan 8.310 nan 0.000 0.419 376 A N -0.096 122.757 122.820 0.055 0.000 2.139 376 A HA -0.156 4.164 4.320 0.001 0.000 0.221 376 A C 1.845 179.489 177.584 0.100 0.000 1.159 376 A CA 1.632 53.703 52.037 0.058 0.000 0.662 376 A CB -0.792 18.232 19.000 0.041 0.000 0.796 376 A HN 0.623 nan 8.150 nan 0.000 0.463 377 Y N -0.645 119.666 120.300 0.019 0.000 2.134 377 Y HA -0.015 4.535 4.550 0.001 0.000 0.283 377 Y C 2.022 177.835 175.900 -0.145 0.000 1.108 377 Y CA 1.784 59.920 58.100 0.061 0.000 1.096 377 Y CB -0.455 38.086 38.460 0.135 0.000 1.005 377 Y HN 0.222 nan 8.280 nan 0.000 0.487 378 L N 1.083 122.096 121.223 -0.349 0.000 2.191 378 L HA -0.199 4.141 4.340 0.001 0.000 0.212 378 L C 1.701 178.446 176.870 -0.207 0.000 1.103 378 L CA 1.778 56.388 54.840 -0.383 0.000 0.769 378 L CB -0.890 40.764 42.059 -0.675 0.000 0.908 378 L HN 0.288 nan 8.230 nan 0.000 0.438 379 N N -1.096 117.513 118.700 -0.153 0.000 2.515 379 N HA -0.064 4.676 4.740 0.001 0.000 0.185 379 N C 1.718 177.199 175.510 -0.047 0.000 1.109 379 N CA 0.944 53.949 53.050 -0.075 0.000 0.903 379 N CB 0.175 38.636 38.487 -0.042 0.000 0.969 379 N HN 0.629 nan 8.380 nan 0.000 0.450 380 S N -0.801 114.857 115.700 -0.070 0.000 2.483 380 S HA 0.172 4.642 4.470 0.001 0.000 0.221 380 S C 0.970 175.509 174.600 -0.101 0.000 1.030 380 S CA -0.309 57.867 58.200 -0.040 0.000 0.925 380 S CB -0.057 63.159 63.200 0.026 0.000 0.795 380 S HN 0.067 nan 8.310 nan 0.000 0.511 381 L N 2.542 123.677 121.223 -0.146 0.000 2.485 381 L HA 0.299 4.639 4.340 0.001 0.000 0.275 381 L C -2.501 174.328 176.870 -0.068 0.000 1.207 381 L CA -1.826 52.937 54.840 -0.129 0.000 0.855 381 L CB -0.443 41.563 42.059 -0.088 0.000 1.114 381 L HN 0.006 nan 8.230 nan 0.000 0.485 382 P HA -0.023 nan 4.420 nan 0.000 0.262 382 P C -0.632 176.664 177.300 -0.007 0.000 1.182 382 P CA 0.026 63.105 63.100 -0.036 0.000 0.761 382 P CB 0.548 32.223 31.700 -0.042 0.000 0.795 383 V N 4.045 123.959 119.914 0.001 0.000 2.348 383 V HA 0.336 4.456 4.120 0.001 0.000 0.270 383 V C 0.664 176.771 176.094 0.021 0.000 1.037 383 V CA -0.795 61.515 62.300 0.017 0.000 0.872 383 V CB 0.506 32.336 31.823 0.013 0.000 1.002 383 V HN 0.686 nan 8.190 nan 0.000 0.464 384 A N 4.641 127.483 122.820 0.036 0.000 2.583 384 A HA 0.391 4.711 4.320 0.001 0.000 0.249 384 A C 1.722 179.319 177.584 0.022 0.000 1.035 384 A CA 0.891 52.948 52.037 0.034 0.000 0.777 384 A CB -0.731 18.300 19.000 0.051 0.000 0.942 384 A HN 2.161 nan 8.150 nan 0.000 0.516 385 G N 2.266 111.075 108.800 0.014 0.000 2.257 385 G HA2 -0.369 3.591 3.960 0.001 0.000 0.267 385 G HA3 -0.369 3.591 3.960 0.001 0.000 0.267 385 G C 0.438 175.343 174.900 0.007 0.000 0.984 385 G CA 0.823 45.929 45.100 0.009 0.000 0.626 385 G HN 1.280 nan 8.290 nan 0.000 0.540 386 N N 1.482 120.187 118.700 0.009 0.000 2.412 386 N HA 0.347 5.087 4.740 0.001 0.000 0.258 386 N C -0.658 174.854 175.510 0.004 0.000 1.236 386 N CA -0.619 52.435 53.050 0.007 0.000 0.882 386 N CB 0.942 39.434 38.487 0.008 0.000 1.066 386 N HN 0.076 nan 8.380 nan 0.000 0.465 387 P HA -0.024 nan 4.420 nan 0.000 0.219 387 P C -0.857 176.444 177.300 0.002 0.000 1.150 387 P CA 0.889 63.990 63.100 0.003 0.000 0.814 387 P CB 0.163 31.865 31.700 0.004 0.000 0.787 388 D N -0.796 119.607 120.400 0.004 0.000 2.425 388 D HA 0.047 4.687 4.640 0.001 0.000 0.247 388 D C 1.356 177.656 176.300 0.001 0.000 1.147 388 D CA 0.130 54.133 54.000 0.005 0.000 0.879 388 D CB 0.476 41.281 40.800 0.008 0.000 1.179 388 D HN -0.096 nan 8.370 nan 0.000 0.456 389 R N 2.042 122.542 120.500 -0.001 0.000 2.073 389 R HA -0.055 4.286 4.340 0.001 0.000 0.234 389 R C 1.130 177.428 176.300 -0.004 0.000 1.134 389 R CA 0.878 56.973 56.100 -0.007 0.000 0.952 389 R CB 0.085 30.378 30.300 -0.012 0.000 0.850 389 R HN 0.440 nan 8.270 nan 0.000 0.433 390 M N 0.476 120.080 119.600 0.007 0.000 2.696 390 M HA 0.008 4.488 4.480 0.001 0.000 0.220 390 M C 0.827 177.137 176.300 0.018 0.000 1.133 390 M CA 0.537 55.848 55.300 0.019 0.000 1.016 390 M CB 0.554 33.175 32.600 0.034 0.000 1.740 390 M HN 0.046 nan 8.290 nan 0.000 0.502 391 V N -2.186 117.733 119.914 0.008 0.000 3.177 391 V HA 0.189 4.310 4.120 0.001 0.000 0.220 391 V C 2.040 178.134 176.094 -0.000 0.000 1.395 391 V CA 0.986 63.290 62.300 0.006 0.000 1.317 391 V CB 0.018 31.846 31.823 0.008 0.000 1.148 391 V HN 0.385 nan 8.190 nan 0.000 0.499 392 G N -0.094 108.705 108.800 -0.001 0.000 2.511 392 G HA2 0.344 4.304 3.960 0.001 0.000 0.217 392 G HA3 0.344 4.304 3.960 0.001 0.000 0.217 392 G C 1.168 176.062 174.900 -0.011 0.000 1.133 392 G CA 1.173 46.272 45.100 -0.003 0.000 0.792 392 G HN 0.942 nan 8.290 nan 0.000 0.539 393 G N 0.146 108.936 108.800 -0.016 0.000 2.611 393 G HA2 -0.339 3.622 3.960 0.001 0.000 0.301 393 G HA3 -0.339 3.622 3.960 0.001 0.000 0.301 393 G C 1.203 176.083 174.900 -0.033 0.000 1.233 393 G CA 1.851 46.934 45.100 -0.028 0.000 0.993 393 G HN 1.133 nan 8.290 nan 0.000 0.553 394 T N -0.464 114.065 114.554 -0.041 0.000 3.219 394 T HA 0.529 4.879 4.350 0.001 0.000 0.249 394 T C 1.506 176.190 174.700 -0.027 0.000 1.099 394 T CA 1.111 63.188 62.100 -0.040 0.000 0.988 394 T CB 0.059 68.896 68.868 -0.052 0.000 0.999 394 T HN 0.515 nan 8.240 nan 0.000 0.550 395 L N 0.743 121.955 121.223 -0.018 0.000 3.069 395 L HA 0.347 4.687 4.340 0.001 0.000 0.271 395 L C 2.155 179.023 176.870 -0.003 0.000 1.201 395 L CA -0.396 54.441 54.840 -0.005 0.000 1.015 395 L CB 0.188 42.250 42.059 0.006 0.000 1.371 395 L HN 0.237 nan 8.230 nan 0.000 0.574 396 R N -0.793 119.702 120.500 -0.008 0.000 2.357 396 R HA 0.019 4.359 4.340 0.001 0.000 0.202 396 R C 0.025 176.322 176.300 -0.004 0.000 1.047 396 R CA 0.704 56.801 56.100 -0.006 0.000 1.034 396 R CB -0.204 30.091 30.300 -0.009 0.000 0.875 396 R HN 0.283 nan 8.270 nan 0.000 0.473 397 N N 0.499 119.196 118.700 -0.005 0.000 2.390 397 N HA 0.168 4.909 4.740 0.001 0.000 0.259 397 N C -1.072 174.436 175.510 -0.004 0.000 1.395 397 N CA -0.220 52.828 53.050 -0.004 0.000 0.852 397 N CB 1.135 39.618 38.487 -0.006 0.000 1.371 397 N HN 0.162 nan 8.380 nan 0.000 0.491 398 R N 0.126 120.625 120.500 -0.001 0.000 2.651 398 R HA 0.496 4.836 4.340 0.001 0.000 0.278 398 R C 0.172 176.473 176.300 0.002 0.000 1.010 398 R CA -0.600 55.499 56.100 -0.001 0.000 0.896 398 R CB 1.828 32.128 30.300 -0.000 0.000 1.211 398 R HN 0.004 nan 8.270 nan 0.000 0.456 399 M N 0.592 120.191 119.600 -0.003 0.000 2.705 399 M HA -0.204 4.277 4.480 0.001 0.000 0.213 399 M C -0.744 175.556 176.300 0.000 0.000 0.480 399 M CA 0.978 56.277 55.300 -0.003 0.000 0.656 399 M CB -1.222 31.380 32.600 0.003 0.000 2.443 399 M HN 0.480 nan 8.290 nan 0.000 0.703 400 K N 0.701 121.100 120.400 -0.002 0.000 2.218 400 K HA 0.510 4.830 4.320 0.001 0.000 0.276 400 K C 1.354 177.953 176.600 -0.002 0.000 1.022 400 K CA 0.714 57.000 56.287 -0.000 0.000 0.946 400 K CB 1.193 33.693 32.500 -0.001 0.000 1.000 400 K HN 0.505 nan 8.250 nan 0.000 0.468 401 G N 1.560 110.360 108.800 -0.000 0.000 2.412 401 G HA2 -0.367 3.593 3.960 0.001 0.000 0.252 401 G HA3 -0.367 3.593 3.960 0.001 0.000 0.252 401 G C 0.586 175.484 174.900 -0.003 0.000 1.038 401 G CA 1.277 46.376 45.100 -0.002 0.000 0.628 401 G HN 0.789 nan 8.290 nan 0.000 0.531 402 T N -0.747 113.804 114.554 -0.005 0.000 2.701 402 T HA 0.509 4.860 4.350 0.001 0.000 0.303 402 T C -0.629 174.069 174.700 -0.004 0.000 1.030 402 T CA -0.267 61.828 62.100 -0.008 0.000 1.010 402 T CB 1.285 70.146 68.868 -0.013 0.000 1.007 402 T HN 0.037 nan 8.240 nan 0.000 0.532 403 P HA 0.070 nan 4.420 nan 0.000 0.217 403 P C 1.661 178.965 177.300 0.007 0.000 1.150 403 P CA 1.227 64.326 63.100 -0.001 0.000 0.832 403 P CB -0.335 31.361 31.700 -0.007 0.000 0.787 404 A N -0.331 122.491 122.820 0.004 0.000 1.933 404 A HA -0.198 4.122 4.320 0.001 0.000 0.218 404 A C 1.469 179.072 177.584 0.031 0.000 1.175 404 A CA 0.548 52.596 52.037 0.018 0.000 0.628 404 A CB -1.373 17.631 19.000 0.007 0.000 0.814 404 A HN 0.224 nan 8.150 nan 0.000 0.444 405 Q N -1.011 118.801 119.800 0.021 0.000 2.348 405 Q HA 0.183 4.523 4.340 0.001 0.000 0.331 405 Q C 1.273 177.290 176.000 0.028 0.000 1.099 405 Q CA 0.956 56.773 55.803 0.022 0.000 1.021 405 Q CB -0.043 28.703 28.738 0.014 0.000 1.166 405 Q HN 1.012 nan 8.270 nan 0.000 0.393 406 G N 3.757 112.576 108.800 0.031 0.000 2.451 406 G HA2 -0.321 3.639 3.960 0.001 0.000 0.253 406 G HA3 -0.321 3.639 3.960 0.001 0.000 0.253 406 G C 0.709 175.636 174.900 0.044 0.000 1.033 406 G CA 0.654 45.773 45.100 0.032 0.000 0.633 406 G HN 0.628 nan 8.290 nan 0.000 0.537 407 K N 0.110 120.542 120.400 0.053 0.000 2.410 407 K HA 0.489 4.810 4.320 0.001 0.000 0.200 407 K C 0.132 176.797 176.600 0.108 0.000 1.023 407 K CA 0.295 56.625 56.287 0.071 0.000 1.149 407 K CB 1.064 33.600 32.500 0.060 0.000 0.859 407 K HN 0.388 nan 8.250 nan 0.000 0.514 408 V N 1.591 121.573 119.914 0.115 0.000 2.462 408 V HA 0.293 4.413 4.120 0.001 0.000 0.288 408 V C -0.697 175.488 176.094 0.152 0.000 1.020 408 V CA -0.922 61.482 62.300 0.173 0.000 0.857 408 V CB 1.650 33.585 31.823 0.187 0.000 1.013 408 V HN 0.025 nan 8.190 nan 0.000 0.431 409 R N 3.411 124.014 120.500 0.172 0.000 2.346 409 R HA 0.790 5.130 4.340 0.001 0.000 0.309 409 R C -0.117 176.250 176.300 0.112 0.000 1.119 409 R CA 0.141 56.317 56.100 0.127 0.000 1.112 409 R CB 1.562 31.932 30.300 0.116 0.000 1.132 409 R HN 0.824 nan 8.270 nan 0.000 0.538 410 A N 1.900 124.748 122.820 0.048 0.000 2.435 410 A HA 0.623 4.943 4.320 0.001 0.000 0.304 410 A C -1.038 176.514 177.584 -0.054 0.000 1.064 410 A CA -0.893 51.113 52.037 -0.053 0.000 0.727 410 A CB 1.321 20.309 19.000 -0.020 0.000 1.284 410 A HN 0.374 nan 8.150 nan 0.000 0.415 411 K N 1.016 121.352 120.400 -0.106 0.000 2.249 411 K HA 0.494 4.814 4.320 0.001 0.000 0.280 411 K C 0.274 176.827 176.600 -0.078 0.000 1.033 411 K CA 0.401 56.619 56.287 -0.114 0.000 0.946 411 K CB 0.563 32.972 32.500 -0.153 0.000 1.005 411 K HN 0.815 nan 8.250 nan 0.000 0.469 412 T N 0.297 114.806 114.554 -0.076 0.000 2.907 412 T HA 0.757 5.107 4.350 0.001 0.000 0.284 412 T C 0.246 174.901 174.700 -0.075 0.000 1.004 412 T CA -0.775 61.293 62.100 -0.054 0.000 1.063 412 T CB 1.587 70.426 68.868 -0.047 0.000 0.992 412 T HN 0.536 nan 8.240 nan 0.000 0.483 413 G N -0.060 108.702 108.800 -0.064 0.000 2.638 413 G HA2 0.605 4.566 3.960 0.001 0.000 0.302 413 G HA3 0.605 4.566 3.960 0.001 0.000 0.302 413 G C -1.233 173.616 174.900 -0.084 0.000 1.365 413 G CA -0.792 44.259 45.100 -0.082 0.000 0.987 413 G HN 1.025 nan 8.290 nan 0.000 0.495 414 S N 0.526 116.159 115.700 -0.111 0.000 2.542 414 S HA 0.803 5.273 4.470 0.001 0.000 0.276 414 S C -1.325 173.184 174.600 -0.152 0.000 1.148 414 S CA -0.599 57.532 58.200 -0.115 0.000 0.886 414 S CB 0.930 64.069 63.200 -0.102 0.000 1.109 414 S HN 0.761 nan 8.310 nan 0.000 0.458 415 L N 1.436 122.583 121.223 -0.127 0.000 2.892 415 L HA 0.478 4.819 4.340 0.001 0.000 0.269 415 L C -0.333 176.535 176.870 -0.003 0.000 1.058 415 L CA -1.174 53.599 54.840 -0.111 0.000 0.923 415 L CB 1.891 43.800 42.059 -0.250 0.000 1.518 415 L HN 0.622 nan 8.230 nan 0.000 0.402 416 S N 0.812 116.568 115.700 0.094 0.000 2.546 416 S HA 0.178 4.648 4.470 0.001 0.000 0.290 416 S C 0.762 175.434 174.600 0.119 0.000 1.262 416 S CA 0.937 59.184 58.200 0.078 0.000 1.083 416 S CB 0.259 63.488 63.200 0.049 0.000 0.859 416 S HN 1.006 nan 8.310 nan 0.000 0.495 417 T N -0.650 113.933 114.554 0.048 0.000 6.974 417 T HA -0.207 4.144 4.350 0.001 0.000 0.287 417 T C -0.061 174.659 174.700 0.033 0.000 2.146 417 T CA 1.000 63.122 62.100 0.038 0.000 3.451 417 T CB -2.241 66.653 68.868 0.043 0.000 1.630 417 T HN 0.457 nan 8.240 nan 0.000 1.173 418 V N 0.871 120.796 119.914 0.018 0.000 2.531 418 V HA 0.834 4.955 4.120 0.001 0.000 0.301 418 V C 0.007 176.072 176.094 -0.048 0.000 1.034 418 V CA -0.113 62.172 62.300 -0.025 0.000 0.865 418 V CB 1.848 33.624 31.823 -0.079 0.000 0.995 418 V HN 0.600 nan 8.190 nan 0.000 0.424 419 S N 2.985 118.661 115.700 -0.040 0.000 2.540 419 S HA 0.902 5.373 4.470 0.001 0.000 0.275 419 S C -0.762 173.823 174.600 -0.026 0.000 1.123 419 S CA -0.100 58.078 58.200 -0.038 0.000 0.907 419 S CB 1.848 65.030 63.200 -0.029 0.000 1.081 419 S HN 1.260 nan 8.310 nan 0.000 0.476 420 S N 3.184 118.871 115.700 -0.021 0.000 2.537 420 S HA 0.760 5.231 4.470 0.001 0.000 0.271 420 S C -1.954 172.658 174.600 0.021 0.000 1.148 420 S CA -0.784 57.417 58.200 0.002 0.000 0.868 420 S CB 1.411 64.606 63.200 -0.010 0.000 1.115 420 S HN 0.720 nan 8.310 nan 0.000 0.461 421 L N 1.886 123.156 121.223 0.078 0.000 2.404 421 L HA 0.795 5.136 4.340 0.001 0.000 0.272 421 L C -1.129 175.856 176.870 0.191 0.000 0.980 421 L CA 0.234 55.157 54.840 0.138 0.000 0.836 421 L CB 1.939 44.123 42.059 0.209 0.000 1.238 421 L HN 0.925 nan 8.230 nan 0.000 0.408 422 S N 2.699 118.374 115.700 -0.041 0.000 2.538 422 S HA 0.997 5.467 4.470 0.001 0.000 0.288 422 S C -0.022 174.247 174.600 -0.552 0.000 1.108 422 S CA -0.034 57.983 58.200 -0.306 0.000 0.971 422 S CB 1.821 64.919 63.200 -0.170 0.000 1.041 422 S HN 1.074 nan 8.310 nan 0.000 0.483 423 G N 1.561 109.712 108.800 -1.082 0.000 2.600 423 G HA2 0.333 4.293 3.960 0.001 0.000 0.103 423 G HA3 0.333 4.293 3.960 0.001 0.000 0.103 423 G C -2.276 171.904 174.900 -1.201 0.000 1.090 423 G CA -0.518 44.041 45.100 -0.902 0.000 1.090 423 G HN 0.514 nan 8.290 nan 0.000 0.500 424 Y N 0.454 120.606 120.300 -0.246 0.000 2.499 424 Y HA 0.767 5.317 4.550 0.001 0.000 0.347 424 Y C 0.317 176.339 175.900 0.202 0.000 0.987 424 Y CA -0.280 57.823 58.100 0.006 0.000 1.044 424 Y CB 2.675 41.184 38.460 0.082 0.000 1.245 424 Y HN 0.896 nan 8.280 nan 0.000 0.461 425 A N 1.988 125.056 122.820 0.414 0.000 2.385 425 A HA 0.488 4.808 4.320 0.001 0.000 0.290 425 A C -1.154 176.565 177.584 0.225 0.000 1.094 425 A CA -0.728 51.507 52.037 0.331 0.000 0.729 425 A CB 0.961 20.161 19.000 0.334 0.000 1.194 425 A HN 0.770 nan 8.150 nan 0.000 0.442 426 E N 1.870 122.171 120.200 0.168 0.000 2.200 426 E HA 0.317 4.667 4.350 0.001 0.000 0.283 426 E C 1.044 177.696 176.600 0.087 0.000 1.015 426 E CA 0.193 56.665 56.400 0.120 0.000 0.819 426 E CB 0.820 30.578 29.700 0.096 0.000 1.081 426 E HN 0.687 nan 8.360 nan 0.000 0.397 427 T N 1.538 116.136 114.554 0.074 0.000 3.100 427 T HA 0.048 4.398 4.350 0.001 0.000 0.253 427 T C -0.090 174.633 174.700 0.037 0.000 1.118 427 T CA -0.348 61.782 62.100 0.051 0.000 1.058 427 T CB 0.089 68.985 68.868 0.047 0.000 0.953 427 T HN 0.441 nan 8.240 nan 0.000 0.515 428 K N 1.159 121.583 120.400 0.039 0.000 4.766 428 K HA -0.116 4.204 4.320 0.001 0.000 0.384 428 K C 0.585 177.200 176.600 0.025 0.000 1.097 428 K CA 0.923 57.228 56.287 0.030 0.000 1.147 428 K CB -2.429 30.085 32.500 0.024 0.000 1.603 428 K HN 0.879 nan 8.250 nan 0.000 0.421 429 S N -2.521 113.195 115.700 0.027 0.000 3.029 429 S HA 0.239 4.709 4.470 0.001 0.000 0.146 429 S C 1.093 175.709 174.600 0.026 0.000 0.800 429 S CA 0.541 58.755 58.200 0.024 0.000 1.619 429 S CB 0.029 63.243 63.200 0.024 0.000 1.119 429 S HN 1.640 nan 8.310 nan 0.000 0.632 430 G N 2.559 111.377 108.800 0.031 0.000 2.611 430 G HA2 -0.264 3.696 3.960 0.001 0.000 0.208 430 G HA3 -0.264 3.696 3.960 0.001 0.000 0.208 430 G C -0.060 174.866 174.900 0.042 0.000 1.201 430 G CA 0.093 45.212 45.100 0.032 0.000 0.739 430 G HN 0.776 nan 8.290 nan 0.000 0.528 431 K N 1.745 122.172 120.400 0.044 0.000 2.561 431 K HA 0.282 4.603 4.320 0.001 0.000 0.280 431 K C 0.053 176.700 176.600 0.079 0.000 0.975 431 K CA 0.787 57.108 56.287 0.057 0.000 1.024 431 K CB 0.271 32.803 32.500 0.052 0.000 0.883 431 K HN 0.485 nan 8.250 nan 0.000 0.496 432 K N 4.708 125.169 120.400 0.102 0.000 2.378 432 K HA 0.335 4.656 4.320 0.001 0.000 0.252 432 K C -1.399 175.306 176.600 0.176 0.000 0.931 432 K CA -0.699 55.676 56.287 0.147 0.000 0.794 432 K CB 0.988 33.584 32.500 0.161 0.000 1.181 432 K HN 0.491 nan 8.250 nan 0.000 0.425 433 L N 4.413 125.759 121.223 0.204 0.000 2.298 433 L HA 0.400 4.740 4.340 0.001 0.000 0.284 433 L C -0.437 176.591 176.870 0.264 0.000 1.013 433 L CA -1.193 53.772 54.840 0.208 0.000 0.824 433 L CB 1.779 43.942 42.059 0.173 0.000 1.221 433 L HN 0.383 nan 8.230 nan 0.000 0.418 434 V N 3.851 123.887 119.914 0.202 0.000 2.834 434 V HA 0.445 4.566 4.120 0.001 0.000 0.301 434 V C -0.169 176.001 176.094 0.127 0.000 1.066 434 V CA -0.139 62.191 62.300 0.049 0.000 1.052 434 V CB 1.234 33.088 31.823 0.052 0.000 1.021 434 V HN 0.620 nan 8.190 nan 0.000 0.480 435 F N 1.007 120.909 119.950 -0.080 0.000 2.741 435 F HA 0.798 5.325 4.527 0.001 0.000 0.313 435 F C -0.762 175.011 175.800 -0.045 0.000 1.153 435 F CA -0.979 57.002 58.000 -0.032 0.000 0.931 435 F CB 1.792 40.786 39.000 -0.011 0.000 1.335 435 F HN 0.383 nan 8.300 nan 0.000 0.460 436 S N 1.497 117.398 115.700 0.335 0.000 2.649 436 S HA 0.730 5.201 4.470 0.001 0.000 0.274 436 S C -1.677 173.075 174.600 0.253 0.000 1.176 436 S CA -0.526 57.791 58.200 0.195 0.000 0.988 436 S CB 0.724 63.960 63.200 0.061 0.000 1.071 436 S HN 0.719 nan 8.310 nan 0.000 0.478 437 I N 5.685 126.398 120.570 0.237 0.000 2.390 437 I HA 0.410 4.580 4.170 0.001 0.000 0.283 437 I C -0.896 175.267 176.117 0.077 0.000 1.016 437 I CA -0.525 60.858 61.300 0.138 0.000 1.151 437 I CB 1.287 39.351 38.000 0.107 0.000 1.293 437 I HN 0.429 nan 8.210 nan 0.000 0.458 438 L N 7.407 128.664 121.223 0.056 0.000 2.298 438 L HA 0.573 4.913 4.340 0.001 0.000 0.284 438 L C -0.664 176.216 176.870 0.016 0.000 1.013 438 L CA -0.507 54.351 54.840 0.030 0.000 0.824 438 L CB 1.289 43.367 42.059 0.031 0.000 1.221 438 L HN 0.446 nan 8.230 nan 0.000 0.418 439 L N 4.282 125.505 121.223 -0.001 0.000 2.319 439 L HA 0.506 4.847 4.340 0.001 0.000 0.281 439 L C -0.442 176.421 176.870 -0.012 0.000 1.005 439 L CA -0.255 54.578 54.840 -0.013 0.000 0.828 439 L CB 1.599 43.641 42.059 -0.029 0.000 1.227 439 L HN 0.674 nan 8.230 nan 0.000 0.415 440 N N 1.088 119.786 118.700 -0.003 0.000 2.402 440 N HA 0.593 5.333 4.740 0.001 0.000 0.294 440 N C 0.589 176.100 175.510 0.001 0.000 1.203 440 N CA -0.138 52.916 53.050 0.006 0.000 0.838 440 N CB 2.102 40.600 38.487 0.019 0.000 1.306 440 N HN 0.783 nan 8.380 nan 0.000 0.510 441 G N 0.172 108.978 108.800 0.008 0.000 2.157 441 G HA2 -0.242 3.718 3.960 0.001 0.000 0.248 441 G HA3 -0.242 3.718 3.960 0.001 0.000 0.248 441 G C -0.138 174.753 174.900 -0.015 0.000 0.979 441 G CA -0.201 44.899 45.100 -0.001 0.000 0.650 441 G HN 0.331 nan 8.290 nan 0.000 0.529 442 L N 0.527 121.738 121.223 -0.020 0.000 2.367 442 L HA 0.334 4.674 4.340 0.001 0.000 0.275 442 L C 2.028 178.885 176.870 -0.022 0.000 1.129 442 L CA -0.976 53.843 54.840 -0.036 0.000 0.839 442 L CB 0.519 42.552 42.059 -0.043 0.000 1.133 442 L HN -0.018 nan 8.230 nan 0.000 0.453 443 I N 1.110 121.664 120.570 -0.027 0.000 2.226 443 I HA -0.154 4.016 4.170 0.001 0.000 0.245 443 I C 0.820 176.930 176.117 -0.012 0.000 1.100 443 I CA 1.452 62.743 61.300 -0.016 0.000 1.374 443 I CB -0.250 37.742 38.000 -0.014 0.000 1.057 443 I HN 0.622 nan 8.210 nan 0.000 0.413 444 D N -0.535 119.855 120.400 -0.016 0.000 2.620 444 D HA 0.189 4.830 4.640 0.001 0.000 0.252 444 D C 0.366 176.655 176.300 -0.017 0.000 1.207 444 D CA -0.396 53.598 54.000 -0.010 0.000 0.884 444 D CB 1.148 41.948 40.800 -0.001 0.000 1.262 444 D HN 0.074 nan 8.370 nan 0.000 0.552 445 E N 2.340 122.530 120.200 -0.016 0.000 2.511 445 E HA -0.021 4.329 4.350 0.001 0.000 0.196 445 E C 1.100 177.690 176.600 -0.017 0.000 1.066 445 E CA 0.365 56.752 56.400 -0.022 0.000 0.871 445 E CB 0.124 29.810 29.700 -0.023 0.000 0.863 445 E HN 0.404 nan 8.360 nan 0.000 0.520 446 E N 1.406 121.602 120.200 -0.007 0.000 2.153 446 E HA -0.159 4.192 4.350 0.001 0.000 0.194 446 E C 0.855 177.466 176.600 0.019 0.000 0.988 446 E CA 1.010 57.411 56.400 0.002 0.000 0.811 446 E CB -0.174 29.530 29.700 0.007 0.000 0.746 446 E HN 0.428 nan 8.360 nan 0.000 0.466 447 D N -0.136 120.281 120.400 0.028 0.000 2.350 447 D HA -0.078 4.563 4.640 0.001 0.000 0.216 447 D C 1.808 178.132 176.300 0.041 0.000 0.968 447 D CA 0.918 54.966 54.000 0.081 0.000 0.894 447 D CB -0.375 40.460 40.800 0.059 0.000 0.909 447 D HN 0.260 nan 8.370 nan 0.000 0.520 448 G N 1.018 109.815 108.800 -0.004 0.000 2.448 448 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 448 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 448 G C 1.645 176.546 174.900 0.002 0.000 1.135 448 G CA 0.255 45.346 45.100 -0.015 0.000 0.784 448 G HN 0.241 nan 8.290 nan 0.000 0.543 449 K N 0.690 121.094 120.400 0.008 0.000 1.991 449 K HA -0.079 4.241 4.320 0.001 0.000 0.212 449 K C 2.110 178.714 176.600 0.008 0.000 1.049 449 K CA 1.502 57.792 56.287 0.005 0.000 0.932 449 K CB -0.188 32.314 32.500 0.003 0.000 0.717 449 K HN 0.178 nan 8.250 nan 0.000 0.441 450 D N 1.002 121.415 120.400 0.023 0.000 2.123 450 D HA -0.157 4.483 4.640 0.001 0.000 0.196 450 D C 2.051 178.360 176.300 0.014 0.000 0.992 450 D CA 1.160 55.169 54.000 0.015 0.000 0.833 450 D CB -0.218 40.594 40.800 0.020 0.000 0.954 450 D HN 0.200 nan 8.370 nan 0.000 0.455 451 I N 1.782 122.379 120.570 0.045 0.000 2.118 451 I HA -0.298 3.872 4.170 0.001 0.000 0.241 451 I C 2.722 178.820 176.117 -0.031 0.000 1.070 451 I CA 1.535 62.849 61.300 0.023 0.000 1.327 451 I CB -0.446 37.563 38.000 0.015 0.000 1.034 451 I HN 0.111 nan 8.210 nan 0.000 0.405 452 E N 0.577 120.759 120.200 -0.030 0.000 2.158 452 E HA -0.210 4.140 4.350 0.001 0.000 0.191 452 E C 1.377 177.933 176.600 -0.074 0.000 0.982 452 E CA 1.189 57.558 56.400 -0.053 0.000 0.823 452 E CB -0.299 29.396 29.700 -0.007 0.000 0.766 452 E HN 0.409 nan 8.360 nan 0.000 0.468 453 D N 1.535 121.909 120.400 -0.043 0.000 2.117 453 D HA -0.156 4.484 4.640 0.001 0.000 0.197 453 D C 2.113 178.370 176.300 -0.072 0.000 0.987 453 D CA 1.311 55.285 54.000 -0.044 0.000 0.829 453 D CB -0.175 40.611 40.800 -0.023 0.000 0.961 453 D HN 0.343 nan 8.370 nan 0.000 0.460 454 Q N -0.034 119.722 119.800 -0.073 0.000 2.050 454 Q HA -0.075 4.266 4.340 0.001 0.000 0.202 454 Q C 2.492 178.414 176.000 -0.129 0.000 0.980 454 Q CA 0.772 56.524 55.803 -0.085 0.000 0.840 454 Q CB -0.067 28.628 28.738 -0.071 0.000 0.898 454 Q HN 0.360 nan 8.270 nan 0.000 0.424 455 I N 0.798 121.268 120.570 -0.167 0.000 2.423 455 I HA -0.265 3.905 4.170 0.001 0.000 0.254 455 I C 2.330 178.250 176.117 -0.327 0.000 1.151 455 I CA 0.820 61.972 61.300 -0.246 0.000 1.421 455 I CB -0.382 37.456 38.000 -0.271 0.000 1.079 455 I HN 0.166 nan 8.210 nan 0.000 0.431 456 A N 0.381 123.011 122.820 -0.317 0.000 1.969 456 A HA -0.087 4.233 4.320 0.001 0.000 0.218 456 A C 2.394 179.874 177.584 -0.174 0.000 1.169 456 A CA 1.292 53.128 52.037 -0.335 0.000 0.635 456 A CB -0.623 18.265 19.000 -0.187 0.000 0.810 456 A HN 0.235 nan 8.150 nan 0.000 0.445 457 V N 0.757 120.596 119.914 -0.126 0.000 2.255 457 V HA -0.206 3.915 4.120 0.001 0.000 0.243 457 V C 2.370 178.412 176.094 -0.087 0.000 1.038 457 V CA 1.579 63.832 62.300 -0.079 0.000 1.008 457 V CB -0.763 31.022 31.823 -0.064 0.000 0.645 457 V HN 0.494 nan 8.190 nan 0.000 0.449 458 I N 0.048 120.551 120.570 -0.112 0.000 2.229 458 I HA -0.292 3.878 4.170 0.001 0.000 0.250 458 I C 2.343 178.397 176.117 -0.104 0.000 1.096 458 I CA 1.862 63.096 61.300 -0.110 0.000 1.358 458 I CB -1.392 36.520 38.000 -0.148 0.000 1.047 458 I HN 0.286 nan 8.210 nan 0.000 0.422 459 L N 0.371 121.516 121.223 -0.130 0.000 2.044 459 L HA -0.090 4.251 4.340 0.001 0.000 0.205 459 L C 2.774 179.627 176.870 -0.029 0.000 1.075 459 L CA 1.188 55.972 54.840 -0.093 0.000 0.747 459 L CB -0.720 41.250 42.059 -0.148 0.000 0.903 459 L HN 0.177 nan 8.230 nan 0.000 0.435 460 A N 0.252 123.059 122.820 -0.023 0.000 2.032 460 A HA -0.233 4.087 4.320 0.001 0.000 0.221 460 A C 1.995 179.584 177.584 0.007 0.000 1.165 460 A CA 1.896 53.940 52.037 0.012 0.000 0.645 460 A CB -0.591 18.417 19.000 0.013 0.000 0.807 460 A HN 0.474 nan 8.150 nan 0.000 0.453 461 N N -0.049 118.645 118.700 -0.011 0.000 2.270 461 N HA -0.056 4.685 4.740 0.001 0.000 0.181 461 N C 0.757 176.266 175.510 -0.002 0.000 1.016 461 N CA 0.539 53.584 53.050 -0.009 0.000 0.870 461 N CB -0.253 38.221 38.487 -0.020 0.000 0.979 461 N HN 0.513 nan 8.380 nan 0.000 0.431 462 Q N 0.000 119.799 119.800 -0.002 0.000 2.315 462 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 462 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 462 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481