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 1ek4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SASATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 2.224 122.628 120.400 0.007 0.000 2.355 2 K HA 0.348 4.668 4.320 -0.000 0.000 0.270 2 K C -0.479 176.121 176.600 0.000 0.000 1.003 2 K CA 0.341 56.630 56.287 0.002 0.000 0.957 2 K CB 0.463 32.961 32.500 -0.003 0.000 0.939 2 K HN 0.267 nan 8.250 nan 0.000 0.482 3 R N 0.828 121.326 120.500 -0.003 0.000 2.457 3 R HA 0.479 4.819 4.340 -0.000 0.000 0.284 3 R C -0.785 175.505 176.300 -0.016 0.000 1.024 3 R CA -0.851 55.246 56.100 -0.006 0.000 1.025 3 R CB 1.153 31.450 30.300 -0.006 0.000 1.063 3 R HN 0.214 nan 8.270 nan 0.000 0.493 4 V N 3.012 122.913 119.914 -0.021 0.000 2.604 4 V HA 0.494 4.613 4.120 -0.000 0.000 0.305 4 V C -0.148 175.922 176.094 -0.040 0.000 1.043 4 V CA -0.770 61.507 62.300 -0.038 0.000 0.888 4 V CB 1.746 33.540 31.823 -0.047 0.000 0.995 4 V HN 0.637 nan 8.190 nan 0.000 0.429 5 V N 1.932 121.816 119.914 -0.051 0.000 3.141 5 V HA 0.703 4.823 4.120 -0.000 0.000 0.312 5 V C -0.749 175.312 176.094 -0.056 0.000 1.157 5 V CA -0.982 61.290 62.300 -0.047 0.000 1.041 5 V CB 2.389 34.185 31.823 -0.044 0.000 1.071 5 V HN 0.662 nan 8.190 nan 0.000 0.441 6 I N 2.030 122.582 120.570 -0.031 0.000 2.339 6 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 6 I C 0.874 177.034 176.117 0.070 0.000 0.994 6 I CA -0.056 61.234 61.300 -0.016 0.000 1.191 6 I CB 2.140 40.123 38.000 -0.028 0.000 1.343 6 I HN 0.979 nan 8.210 nan 0.000 0.458 7 T N 0.745 115.327 114.554 0.046 0.000 3.129 7 T HA 0.492 4.842 4.350 -0.000 0.000 0.267 7 T C 0.337 175.150 174.700 0.188 0.000 1.018 7 T CA -0.441 61.708 62.100 0.082 0.000 0.903 7 T CB 0.373 69.241 68.868 -0.000 0.000 1.067 7 T HN 0.754 nan 8.240 nan 0.000 0.549 8 G N 1.340 110.264 108.800 0.207 0.000 2.556 8 G HA2 0.528 4.488 3.960 -0.000 0.000 0.294 8 G HA3 0.528 4.488 3.960 -0.000 0.000 0.294 8 G C -2.106 172.806 174.900 0.020 0.000 1.516 8 G CA -0.881 44.336 45.100 0.194 0.000 0.824 8 G HN 0.690 nan 8.290 nan 0.000 0.535 9 L N -1.283 119.934 121.223 -0.010 0.000 2.469 9 L HA 1.061 5.401 4.340 -0.000 0.000 0.256 9 L C -0.060 176.776 176.870 -0.057 0.000 1.006 9 L CA -0.801 53.975 54.840 -0.106 0.000 0.832 9 L CB 1.811 43.714 42.059 -0.261 0.000 1.421 9 L HN 1.358 nan 8.230 nan 0.000 0.410 10 G N 0.794 109.551 108.800 -0.072 0.000 2.706 10 G HA2 0.781 4.741 3.960 -0.000 0.000 0.297 10 G HA3 0.781 4.741 3.960 -0.000 0.000 0.297 10 G C -2.029 172.837 174.900 -0.056 0.000 1.403 10 G CA -0.657 44.413 45.100 -0.050 0.000 0.954 10 G HN 1.028 nan 8.290 nan 0.000 0.500 11 I N 0.680 121.230 120.570 -0.034 0.000 2.787 11 I HA 0.575 4.745 4.170 -0.000 0.000 0.294 11 I C -1.584 174.519 176.117 -0.022 0.000 1.365 11 I CA -0.908 60.368 61.300 -0.040 0.000 1.029 11 I CB 2.308 40.277 38.000 -0.050 0.000 1.313 11 I HN 0.360 nan 8.210 nan 0.000 0.431 12 V N 6.378 126.264 119.914 -0.046 0.000 2.419 12 V HA 0.581 4.701 4.120 -0.000 0.000 0.287 12 V C -0.284 175.720 176.094 -0.151 0.000 1.017 12 V CA -0.192 62.059 62.300 -0.082 0.000 0.844 12 V CB 1.368 33.145 31.823 -0.077 0.000 1.011 12 V HN 0.834 nan 8.190 nan 0.000 0.429 13 S N 2.372 118.011 115.700 -0.102 0.000 2.732 13 S HA 0.468 4.937 4.470 -0.000 0.000 0.293 13 S C 1.143 175.687 174.600 -0.093 0.000 1.159 13 S CA 0.097 58.243 58.200 -0.091 0.000 0.847 13 S CB 1.727 64.956 63.200 0.048 0.000 1.169 13 S HN 0.884 nan 8.310 nan 0.000 0.501 14 S N 0.339 115.994 115.700 -0.075 0.000 2.442 14 S HA -0.062 4.408 4.470 -0.000 0.000 0.236 14 S C 1.409 175.986 174.600 -0.038 0.000 1.007 14 S CA 1.017 59.175 58.200 -0.070 0.000 0.965 14 S CB -1.131 62.038 63.200 -0.051 0.000 0.773 14 S HN 1.015 nan 8.310 nan 0.000 0.504 15 I N -2.480 118.076 120.570 -0.024 0.000 3.927 15 I HA 0.684 4.854 4.170 -0.000 0.000 0.332 15 I C 0.508 176.614 176.117 -0.019 0.000 1.485 15 I CA -0.475 60.805 61.300 -0.032 0.000 1.131 15 I CB 0.200 38.155 38.000 -0.075 0.000 1.092 15 I HN 0.279 nan 8.210 nan 0.000 0.410 16 G N 1.047 109.841 108.800 -0.011 0.000 2.386 16 G HA2 0.057 4.017 3.960 -0.000 0.000 0.302 16 G HA3 0.057 4.017 3.960 -0.000 0.000 0.302 16 G C -0.881 174.015 174.900 -0.007 0.000 1.629 16 G CA -0.632 44.466 45.100 -0.003 0.000 0.917 16 G HN 0.013 nan 8.290 nan 0.000 0.676 17 N N 0.640 119.337 118.700 -0.005 0.000 2.270 17 N HA 0.111 4.851 4.740 -0.000 0.000 0.198 17 N C 0.440 175.956 175.510 0.009 0.000 1.117 17 N CA 0.475 53.523 53.050 -0.004 0.000 0.845 17 N CB 0.148 38.636 38.487 0.002 0.000 0.980 17 N HN 0.835 nan 8.380 nan 0.000 0.486 18 N N -1.247 117.461 118.700 0.015 0.000 3.227 18 N HA -0.038 4.702 4.740 -0.000 0.000 0.241 18 N C 0.201 175.729 175.510 0.030 0.000 1.480 18 N CA -0.457 52.606 53.050 0.021 0.000 0.886 18 N CB 0.830 39.330 38.487 0.023 0.000 1.406 18 N HN -0.176 nan 8.380 nan 0.000 0.514 19 Q N -0.333 119.490 119.800 0.038 0.000 2.291 19 Q HA -0.144 4.196 4.340 -0.000 0.000 0.205 19 Q C 0.979 177.005 176.000 0.044 0.000 0.970 19 Q CA 1.629 57.466 55.803 0.056 0.000 0.876 19 Q CB -0.170 28.613 28.738 0.074 0.000 0.935 19 Q HN 0.512 nan 8.270 nan 0.000 0.455 20 Q N 1.328 121.144 119.800 0.026 0.000 2.046 20 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 20 Q C 1.796 177.786 176.000 -0.018 0.000 0.975 20 Q CA 1.998 57.798 55.803 -0.003 0.000 0.836 20 Q CB 0.015 28.751 28.738 -0.002 0.000 0.896 20 Q HN 0.574 nan 8.270 nan 0.000 0.428 21 E N -0.441 119.755 120.200 -0.006 0.000 2.072 21 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 21 E C 2.000 178.592 176.600 -0.013 0.000 0.985 21 E CA 1.270 57.662 56.400 -0.013 0.000 0.801 21 E CB -0.029 29.667 29.700 -0.006 0.000 0.750 21 E HN 0.111 nan 8.360 nan 0.000 0.452 22 V N 1.629 121.552 119.914 0.015 0.000 2.287 22 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 22 V C 2.349 178.452 176.094 0.016 0.000 1.053 22 V CA 1.511 63.832 62.300 0.035 0.000 1.027 22 V CB -0.461 31.438 31.823 0.127 0.000 0.646 22 V HN 0.227 nan 8.190 nan 0.000 0.447 23 L N 0.992 122.224 121.223 0.016 0.000 2.012 23 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 23 L C 2.456 179.264 176.870 -0.104 0.000 1.073 23 L CA 2.496 57.325 54.840 -0.017 0.000 0.748 23 L CB -1.009 40.984 42.059 -0.110 0.000 0.891 23 L HN 0.224 nan 8.230 nan 0.000 0.431 24 A N -1.556 121.199 122.820 -0.107 0.000 1.902 24 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 24 A C 2.386 179.905 177.584 -0.107 0.000 1.181 24 A CA 2.023 53.986 52.037 -0.124 0.000 0.623 24 A CB -0.961 17.985 19.000 -0.090 0.000 0.818 24 A HN 0.549 nan 8.150 nan 0.000 0.443 25 S N -0.140 115.513 115.700 -0.077 0.000 2.368 25 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 25 S C 1.822 176.375 174.600 -0.079 0.000 1.029 25 S CA 1.354 59.509 58.200 -0.075 0.000 0.988 25 S CB -0.440 62.717 63.200 -0.072 0.000 0.838 25 S HN 0.513 nan 8.310 nan 0.000 0.462 26 L N 0.821 122.006 121.223 -0.062 0.000 2.046 26 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 26 L C 2.735 179.625 176.870 0.032 0.000 1.077 26 L CA 1.293 56.139 54.840 0.011 0.000 0.747 26 L CB -0.421 41.739 42.059 0.167 0.000 0.896 26 L HN 0.223 nan 8.230 nan 0.000 0.432 27 R N -0.060 120.345 120.500 -0.159 0.000 2.092 27 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 27 R C 2.066 178.271 176.300 -0.157 0.000 1.119 27 R CA 1.232 57.138 56.100 -0.324 0.000 0.970 27 R CB -0.088 29.901 30.300 -0.519 0.000 0.864 27 R HN 0.437 nan 8.270 nan 0.000 0.440 28 E N -0.853 119.276 120.200 -0.118 0.000 2.371 28 E HA 0.026 4.376 4.350 -0.000 0.000 0.194 28 E C 0.657 177.226 176.600 -0.051 0.000 1.012 28 E CA 0.429 56.782 56.400 -0.079 0.000 0.860 28 E CB 0.405 30.062 29.700 -0.072 0.000 0.811 28 E HN 0.496 nan 8.360 nan 0.000 0.502 29 G N 2.623 111.396 108.800 -0.044 0.000 2.198 29 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.257 29 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.257 29 G C 0.031 174.909 174.900 -0.037 0.000 1.042 29 G CA 0.444 45.525 45.100 -0.032 0.000 0.791 29 G HN 0.218 nan 8.290 nan 0.000 0.502 30 R N 0.293 120.765 120.500 -0.046 0.000 2.340 30 R HA 0.540 4.880 4.340 -0.000 0.000 0.300 30 R C 0.843 177.120 176.300 -0.039 0.000 1.069 30 R CA 0.283 56.360 56.100 -0.038 0.000 0.984 30 R CB 0.621 30.898 30.300 -0.038 0.000 1.003 30 R HN 0.296 nan 8.270 nan 0.000 0.459 31 S N 1.922 117.608 115.700 -0.022 0.000 2.592 31 S HA 0.289 4.759 4.470 -0.000 0.000 0.271 31 S C 0.795 175.394 174.600 -0.002 0.000 1.326 31 S CA -0.128 58.064 58.200 -0.014 0.000 1.024 31 S CB 1.228 64.429 63.200 0.002 0.000 0.921 31 S HN 0.801 nan 8.310 nan 0.000 0.527 32 G N 3.207 112.009 108.800 0.004 0.000 3.519 32 G HA2 0.254 4.214 3.960 -0.000 0.000 0.269 32 G HA3 0.254 4.214 3.960 -0.000 0.000 0.269 32 G C -0.022 174.911 174.900 0.055 0.000 1.028 32 G CA -0.272 44.837 45.100 0.015 0.000 0.809 32 G HN 0.593 nan 8.290 nan 0.000 0.521 33 I N 2.848 123.464 120.570 0.076 0.000 2.395 33 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 33 I C 0.645 176.863 176.117 0.168 0.000 1.023 33 I CA -0.299 61.082 61.300 0.134 0.000 1.350 33 I CB 0.419 38.487 38.000 0.113 0.000 1.409 33 I HN 0.085 nan 8.210 nan 0.000 0.507 34 T N 2.788 117.497 114.554 0.259 0.000 2.887 34 T HA 0.552 4.902 4.350 -0.000 0.000 0.292 34 T C -0.505 174.341 174.700 0.243 0.000 1.087 34 T CA -0.740 61.516 62.100 0.260 0.000 1.009 34 T CB 1.855 70.895 68.868 0.286 0.000 1.203 34 T HN 0.210 nan 8.240 nan 0.000 0.518 35 F N 1.524 121.515 119.950 0.068 0.000 2.429 35 F HA 0.576 5.103 4.527 -0.000 0.000 0.348 35 F C 0.399 176.096 175.800 -0.171 0.000 1.109 35 F CA -0.233 57.749 58.000 -0.029 0.000 1.232 35 F CB 1.002 39.998 39.000 -0.007 0.000 1.157 35 F HN 0.673 nan 8.300 nan 0.000 0.564 36 S N 4.728 119.589 115.700 -1.398 0.000 2.566 36 S HA 0.198 4.668 4.470 -0.000 0.000 0.324 36 S C 0.490 174.238 174.600 -1.419 0.000 1.081 36 S CA -0.655 56.665 58.200 -1.466 0.000 1.105 36 S CB 1.319 63.203 63.200 -2.192 0.000 0.981 36 S HN 0.877 nan 8.310 nan 0.000 0.464 37 Q N 3.424 122.732 119.800 -0.820 0.000 2.167 37 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 37 Q C 1.758 177.522 176.000 -0.394 0.000 0.970 37 Q CA 2.109 57.655 55.803 -0.428 0.000 0.855 37 Q CB -0.153 28.543 28.738 -0.071 0.000 0.911 37 Q HN 0.909 nan 8.270 nan 0.000 0.438 38 E N -0.468 119.497 120.200 -0.391 0.000 2.058 38 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 38 E C 1.802 178.236 176.600 -0.277 0.000 0.997 38 E CA 1.367 57.627 56.400 -0.233 0.000 0.801 38 E CB -0.182 29.491 29.700 -0.045 0.000 0.746 38 E HN 0.451 nan 8.360 nan 0.000 0.450 39 L N 0.621 121.582 121.223 -0.437 0.000 2.017 39 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 39 L C 2.882 179.575 176.870 -0.294 0.000 1.073 39 L CA 1.510 56.190 54.840 -0.267 0.000 0.745 39 L CB -0.550 41.332 42.059 -0.295 0.000 0.894 39 L HN 0.157 nan 8.230 nan 0.000 0.432 40 K N 0.307 120.392 120.400 -0.526 0.000 2.032 40 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 40 K C 1.672 178.052 176.600 -0.366 0.000 1.048 40 K CA 1.913 57.790 56.287 -0.683 0.000 0.927 40 K CB -0.019 32.011 32.500 -0.782 0.000 0.712 40 K HN 0.213 nan 8.250 nan 0.000 0.441 41 D N 0.184 120.403 120.400 -0.302 0.000 2.218 41 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 41 D C 1.894 178.020 176.300 -0.289 0.000 0.976 41 D CA 1.457 55.312 54.000 -0.242 0.000 0.853 41 D CB -0.120 40.556 40.800 -0.207 0.000 0.939 41 D HN 0.368 nan 8.370 nan 0.000 0.481 42 S N -0.850 114.642 115.700 -0.347 0.000 2.515 42 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 42 S C 1.753 176.186 174.600 -0.278 0.000 0.987 42 S CA 0.992 58.906 58.200 -0.476 0.000 0.936 42 S CB 0.177 63.073 63.200 -0.506 0.000 0.766 42 S HN 0.320 nan 8.310 nan 0.000 0.528 43 G N 0.436 109.136 108.800 -0.165 0.000 2.163 43 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.213 43 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.213 43 G C -0.016 174.889 174.900 0.007 0.000 0.991 43 G CA 0.033 45.087 45.100 -0.076 0.000 0.653 43 G HN 0.474 nan 8.290 nan 0.000 0.518 44 M N -0.490 119.132 119.600 0.036 0.000 2.202 44 M HA 0.446 4.926 4.480 -0.000 0.000 0.316 44 M C 1.821 178.239 176.300 0.197 0.000 1.138 44 M CA -0.047 55.318 55.300 0.109 0.000 1.151 44 M CB 0.608 33.282 32.600 0.123 0.000 1.422 44 M HN 0.139 nan 8.290 nan 0.000 0.471 45 R N -0.432 120.123 120.500 0.092 0.000 2.189 45 R HA 0.115 4.455 4.340 -0.000 0.000 0.203 45 R C 0.422 176.579 176.300 -0.239 0.000 1.012 45 R CA 0.188 56.267 56.100 -0.035 0.000 1.015 45 R CB 0.303 30.581 30.300 -0.038 0.000 0.938 45 R HN 0.564 nan 8.270 nan 0.000 0.472 46 S N 0.373 116.034 115.700 -0.066 0.000 2.452 46 S HA 0.131 4.601 4.470 -0.000 0.000 0.284 46 S C -0.066 174.568 174.600 0.058 0.000 1.171 46 S CA -0.547 57.607 58.200 -0.076 0.000 1.064 46 S CB 0.351 63.540 63.200 -0.019 0.000 0.967 46 S HN 0.340 nan 8.310 nan 0.000 0.484 47 H N 2.778 121.809 119.070 -0.065 0.000 2.512 47 H HA 0.318 4.874 4.556 -0.000 0.000 0.276 47 H C 0.025 175.164 175.328 -0.315 0.000 1.126 47 H CA -0.578 55.337 56.048 -0.222 0.000 1.060 47 H CB 0.590 30.304 29.762 -0.080 0.000 1.646 47 H HN 0.462 nan 8.280 nan 0.000 0.571 48 V N -1.621 118.267 119.914 -0.043 0.000 2.864 48 V HA 0.631 4.751 4.120 -0.000 0.000 0.314 48 V C -1.213 174.959 176.094 0.130 0.000 1.073 48 V CA -0.916 61.384 62.300 0.000 0.000 0.956 48 V CB 2.118 34.011 31.823 0.116 0.000 1.023 48 V HN 0.390 nan 8.190 nan 0.000 0.435 49 W N 1.029 122.346 121.300 0.029 0.000 3.066 49 W HA 0.813 5.473 4.660 -0.000 0.000 0.330 49 W C -0.367 176.172 176.519 0.034 0.000 1.253 49 W CA -1.712 55.653 57.345 0.033 0.000 1.187 49 W CB 0.848 30.323 29.460 0.025 0.000 1.434 49 W HN 1.026 nan 8.180 nan 0.000 0.572 50 G N 2.053 110.959 108.800 0.178 0.000 2.922 50 G HA2 0.396 4.356 3.960 -0.000 0.000 0.335 50 G HA3 0.396 4.356 3.960 -0.000 0.000 0.335 50 G C -0.460 174.311 174.900 -0.215 0.000 1.016 50 G CA -0.826 44.283 45.100 0.015 0.000 1.306 50 G HN 0.620 nan 8.290 nan 0.000 0.465 51 N N -0.031 118.447 118.700 -0.370 0.000 2.493 51 N HA 0.425 5.165 4.740 -0.000 0.000 0.275 51 N C -0.432 174.902 175.510 -0.294 0.000 1.186 51 N CA -0.899 51.821 53.050 -0.550 0.000 0.978 51 N CB 1.974 40.007 38.487 -0.757 0.000 1.184 51 N HN -0.018 nan 8.380 nan 0.000 0.487 52 V N 1.503 121.231 119.914 -0.311 0.000 2.427 52 V HA 0.068 4.188 4.120 -0.000 0.000 0.268 52 V C 0.169 176.190 176.094 -0.122 0.000 1.046 52 V CA -0.475 61.677 62.300 -0.247 0.000 0.970 52 V CB 0.561 32.139 31.823 -0.408 0.000 1.001 52 V HN 0.699 nan 8.190 nan 0.000 0.476 53 K N 6.005 126.362 120.400 -0.072 0.000 2.333 53 K HA 0.464 4.784 4.320 -0.000 0.000 0.241 53 K C -0.853 175.746 176.600 -0.002 0.000 1.193 53 K CA -0.279 55.998 56.287 -0.018 0.000 1.142 53 K CB 0.346 32.846 32.500 -0.000 0.000 1.731 53 K HN 0.453 nan 8.250 nan 0.000 0.344 54 L N 0.554 121.784 121.223 0.011 0.000 2.526 54 L HA 0.327 4.667 4.340 -0.000 0.000 0.263 54 L C -1.697 175.204 176.870 0.051 0.000 0.943 54 L CA -0.521 54.338 54.840 0.031 0.000 0.859 54 L CB 2.279 44.358 42.059 0.033 0.000 1.313 54 L HN 0.172 nan 8.230 nan 0.000 0.406 55 D N 1.850 122.277 120.400 0.045 0.000 2.339 55 D HA 0.268 4.908 4.640 -0.000 0.000 0.241 55 D C 0.899 177.226 176.300 0.045 0.000 1.183 55 D CA 0.445 54.471 54.000 0.044 0.000 0.859 55 D CB 1.343 42.163 40.800 0.033 0.000 1.067 55 D HN 0.681 nan 8.370 nan 0.000 0.484 56 T N 0.024 114.608 114.554 0.050 0.000 3.129 56 T HA 0.040 4.390 4.350 -0.000 0.000 0.251 56 T C 0.758 175.463 174.700 0.008 0.000 1.117 56 T CA -0.325 61.800 62.100 0.042 0.000 1.034 56 T CB -0.479 68.419 68.868 0.050 0.000 0.968 56 T HN 0.260 nan 8.240 nan 0.000 0.526 57 T N 2.481 117.038 114.554 0.005 0.000 2.908 57 T HA 0.396 4.746 4.350 -0.000 0.000 0.301 57 T C 1.542 176.234 174.700 -0.013 0.000 1.019 57 T CA 0.764 62.857 62.100 -0.011 0.000 1.152 57 T CB 0.085 68.951 68.868 -0.005 0.000 0.966 57 T HN 0.710 nan 8.240 nan 0.000 0.540 58 G N 2.616 111.398 108.800 -0.031 0.000 2.180 58 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.263 58 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.263 58 G C 0.803 175.691 174.900 -0.019 0.000 0.989 58 G CA 0.432 45.514 45.100 -0.030 0.000 0.692 58 G HN 0.719 nan 8.290 nan 0.000 0.526 59 L N -0.728 120.487 121.223 -0.013 0.000 2.492 59 L HA 0.391 4.731 4.340 -0.000 0.000 0.223 59 L C 1.200 178.073 176.870 0.005 0.000 1.132 59 L CA 0.567 55.417 54.840 0.017 0.000 0.850 59 L CB 0.038 42.124 42.059 0.045 0.000 0.966 59 L HN 0.291 nan 8.230 nan 0.000 0.454 60 I N -1.080 119.443 120.570 -0.078 0.000 2.647 60 I HA 0.167 4.337 4.170 -0.000 0.000 0.295 60 I C -0.551 175.462 176.117 -0.175 0.000 1.078 60 I CA -0.952 60.236 61.300 -0.186 0.000 1.048 60 I CB 2.333 40.086 38.000 -0.412 0.000 1.239 60 I HN -0.189 nan 8.210 nan 0.000 0.421 61 D N 3.812 124.113 120.400 -0.165 0.000 2.525 61 D HA 0.007 4.647 4.640 -0.000 0.000 0.235 61 D C 1.350 177.556 176.300 -0.156 0.000 1.137 61 D CA 0.523 54.447 54.000 -0.127 0.000 0.868 61 D CB 0.983 41.724 40.800 -0.099 0.000 1.180 61 D HN 0.391 nan 8.370 nan 0.000 0.465 62 R N 2.505 122.929 120.500 -0.127 0.000 2.133 62 R HA -0.226 4.114 4.340 -0.000 0.000 0.245 62 R C 1.746 177.938 176.300 -0.181 0.000 1.137 62 R CA 1.863 57.875 56.100 -0.147 0.000 0.947 62 R CB -0.104 30.129 30.300 -0.111 0.000 0.865 62 R HN 0.528 nan 8.270 nan 0.000 0.437 63 K N -0.122 120.200 120.400 -0.131 0.000 2.283 63 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 63 K C 1.901 178.466 176.600 -0.058 0.000 1.048 63 K CA 0.947 57.171 56.287 -0.106 0.000 0.948 63 K CB 0.197 32.677 32.500 -0.035 0.000 0.742 63 K HN 0.074 nan 8.250 nan 0.000 0.458 64 V N 0.037 119.890 119.914 -0.101 0.000 2.492 64 V HA -0.099 4.021 4.120 -0.000 0.000 0.241 64 V C 1.926 177.929 176.094 -0.151 0.000 1.041 64 V CA 0.826 63.074 62.300 -0.087 0.000 1.057 64 V CB 0.321 32.010 31.823 -0.222 0.000 0.711 64 V HN 0.067 nan 8.190 nan 0.000 0.468 65 V N 2.311 122.065 119.914 -0.267 0.000 2.759 65 V HA -0.195 3.925 4.120 -0.000 0.000 0.256 65 V C 2.745 178.641 176.094 -0.330 0.000 1.080 65 V CA 2.088 64.209 62.300 -0.298 0.000 1.101 65 V CB -0.645 31.006 31.823 -0.286 0.000 0.698 65 V HN 0.713 nan 8.190 nan 0.000 0.477 66 R N -1.018 119.213 120.500 -0.449 0.000 2.241 66 R HA -0.133 4.207 4.340 -0.000 0.000 0.224 66 R C 1.734 177.502 176.300 -0.887 0.000 1.101 66 R CA 2.046 57.686 56.100 -0.767 0.000 0.995 66 R CB -0.669 28.957 30.300 -1.123 0.000 0.870 66 R HN 0.508 nan 8.270 nan 0.000 0.463 67 F N 0.881 120.568 119.950 -0.438 0.000 2.749 67 F HA 0.345 4.872 4.527 0.000 0.000 0.300 67 F C 0.816 176.459 175.800 -0.262 0.000 1.103 67 F CA -0.314 57.519 58.000 -0.279 0.000 1.342 67 F CB 0.256 39.159 39.000 -0.161 0.000 1.098 67 F HN -0.107 nan 8.300 nan 0.000 0.586 68 M N -0.364 119.138 119.600 -0.162 0.000 2.478 68 M HA 0.382 4.862 4.480 -0.000 0.000 0.327 68 M C 0.310 176.429 176.300 -0.303 0.000 1.187 68 M CA -0.724 54.462 55.300 -0.191 0.000 1.022 68 M CB 1.700 34.197 32.600 -0.171 0.000 1.629 68 M HN -0.066 nan 8.290 nan 0.000 0.461 69 S N -0.703 114.861 115.700 -0.227 0.000 2.758 69 S HA 0.361 4.831 4.470 -0.000 0.000 0.292 69 S C 0.242 174.761 174.600 -0.135 0.000 1.131 69 S CA -0.798 57.311 58.200 -0.152 0.000 0.997 69 S CB 1.054 64.245 63.200 -0.016 0.000 1.111 69 S HN 0.669 nan 8.310 nan 0.000 0.552 70 D N 0.999 121.323 120.400 -0.127 0.000 2.144 70 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 70 D C 2.162 178.137 176.300 -0.542 0.000 0.984 70 D CA 1.701 55.441 54.000 -0.432 0.000 0.834 70 D CB -0.843 39.697 40.800 -0.434 0.000 0.955 70 D HN 0.663 nan 8.370 nan 0.000 0.465 71 A N 0.457 123.160 122.820 -0.195 0.000 1.908 71 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 71 A C 2.448 180.023 177.584 -0.015 0.000 1.181 71 A CA 1.935 53.952 52.037 -0.033 0.000 0.627 71 A CB -0.575 18.448 19.000 0.037 0.000 0.818 71 A HN 0.173 nan 8.150 nan 0.000 0.445 72 S N -0.386 115.289 115.700 -0.041 0.000 2.383 72 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 72 S C 1.788 176.408 174.600 0.034 0.000 1.026 72 S CA 1.254 59.463 58.200 0.015 0.000 0.981 72 S CB -0.444 62.751 63.200 -0.008 0.000 0.818 72 S HN 0.539 nan 8.310 nan 0.000 0.472 73 I N 0.402 120.911 120.570 -0.101 0.000 2.179 73 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 73 I C 2.027 178.201 176.117 0.096 0.000 1.088 73 I CA 1.325 62.575 61.300 -0.082 0.000 1.357 73 I CB -0.439 37.416 38.000 -0.240 0.000 1.051 73 I HN 0.262 nan 8.210 nan 0.000 0.409 74 Y N 0.854 121.193 120.300 0.065 0.000 2.181 74 Y HA -0.190 4.360 4.550 -0.000 0.000 0.288 74 Y C 2.653 178.594 175.900 0.068 0.000 1.146 74 Y CA 0.786 58.918 58.100 0.053 0.000 1.164 74 Y CB -1.343 37.127 38.460 0.016 0.000 0.982 74 Y HN 0.130 nan 8.280 nan 0.000 0.515 75 A N -0.617 122.342 122.820 0.231 0.000 1.930 75 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 75 A C 2.190 179.865 177.584 0.151 0.000 1.175 75 A CA 1.142 53.266 52.037 0.145 0.000 0.627 75 A CB -1.288 17.779 19.000 0.111 0.000 0.815 75 A HN 0.434 nan 8.150 nan 0.000 0.443 76 F N 0.678 120.676 119.950 0.080 0.000 2.102 76 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 76 F C 1.928 177.803 175.800 0.125 0.000 1.105 76 F CA 1.813 59.894 58.000 0.135 0.000 1.239 76 F CB -0.176 38.885 39.000 0.101 0.000 0.991 76 F HN 0.135 nan 8.300 nan 0.000 0.474 77 L N -0.699 120.740 121.223 0.361 0.000 2.083 77 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 77 L C 2.480 179.390 176.870 0.066 0.000 1.083 77 L CA 1.350 56.326 54.840 0.227 0.000 0.752 77 L CB -0.910 41.284 42.059 0.225 0.000 0.899 77 L HN 0.097 nan 8.230 nan 0.000 0.433 78 S N -0.394 115.334 115.700 0.046 0.000 2.383 78 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 78 S C 1.929 176.465 174.600 -0.107 0.000 1.026 78 S CA 1.446 59.634 58.200 -0.020 0.000 0.981 78 S CB -0.197 62.995 63.200 -0.013 0.000 0.818 78 S HN 0.356 nan 8.310 nan 0.000 0.472 79 M N 1.416 120.895 119.600 -0.202 0.000 2.175 79 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 79 M C 1.935 177.952 176.300 -0.472 0.000 1.063 79 M CA 1.400 56.442 55.300 -0.431 0.000 1.119 79 M CB -0.140 32.018 32.600 -0.736 0.000 1.377 79 M HN 0.245 nan 8.290 nan 0.000 0.415 80 E N -0.208 119.794 120.200 -0.330 0.000 2.077 80 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 80 E C 2.041 178.573 176.600 -0.113 0.000 0.989 80 E CA 1.549 57.838 56.400 -0.186 0.000 0.800 80 E CB -0.164 29.514 29.700 -0.037 0.000 0.746 80 E HN 0.679 nan 8.360 nan 0.000 0.452 81 Q N 0.113 119.867 119.800 -0.076 0.000 2.084 81 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 81 Q C 2.238 178.215 176.000 -0.038 0.000 0.978 81 Q CA 1.313 57.096 55.803 -0.032 0.000 0.844 81 Q CB -0.155 28.575 28.738 -0.014 0.000 0.898 81 Q HN 0.224 nan 8.270 nan 0.000 0.426 82 A N 0.838 123.614 122.820 -0.073 0.000 1.902 82 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 82 A C 2.020 179.588 177.584 -0.026 0.000 1.181 82 A CA 1.123 53.136 52.037 -0.039 0.000 0.623 82 A CB -0.622 18.355 19.000 -0.037 0.000 0.818 82 A HN 0.310 nan 8.150 nan 0.000 0.443 83 I N -0.401 120.099 120.570 -0.118 0.000 2.179 83 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 83 I C 2.980 179.080 176.117 -0.028 0.000 1.088 83 I CA 1.092 62.317 61.300 -0.126 0.000 1.357 83 I CB -0.331 37.461 38.000 -0.346 0.000 1.051 83 I HN 0.373 nan 8.210 nan 0.000 0.409 84 A N 0.218 123.028 122.820 -0.016 0.000 1.898 84 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 84 A C 1.989 179.597 177.584 0.040 0.000 1.181 84 A CA 2.238 54.288 52.037 0.023 0.000 0.620 84 A CB -0.685 18.330 19.000 0.024 0.000 0.819 84 A HN 0.430 nan 8.150 nan 0.000 0.442 85 D N -0.280 120.150 120.400 0.049 0.000 2.178 85 D HA 0.012 4.652 4.640 -0.000 0.000 0.202 85 D C 1.855 178.219 176.300 0.108 0.000 0.974 85 D CA 1.357 55.412 54.000 0.092 0.000 0.841 85 D CB -0.141 40.736 40.800 0.129 0.000 0.953 85 D HN 0.337 nan 8.370 nan 0.000 0.478 86 A N -0.676 122.195 122.820 0.084 0.000 2.119 86 A HA 0.365 4.685 4.320 -0.000 0.000 0.216 86 A C 1.839 179.462 177.584 0.064 0.000 1.152 86 A CA 1.095 53.178 52.037 0.076 0.000 0.708 86 A CB -0.554 18.470 19.000 0.040 0.000 0.805 86 A HN 0.463 nan 8.150 nan 0.000 0.460 87 G N -1.057 107.780 108.800 0.061 0.000 2.182 87 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.248 87 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.248 87 G C -0.089 174.858 174.900 0.078 0.000 1.042 87 G CA 0.339 45.474 45.100 0.059 0.000 0.775 87 G HN 0.451 nan 8.290 nan 0.000 0.501 88 L N 0.677 121.960 121.223 0.100 0.000 2.307 88 L HA 0.631 4.971 4.340 -0.000 0.000 0.282 88 L C 0.652 177.663 176.870 0.234 0.000 1.051 88 L CA -0.620 54.322 54.840 0.170 0.000 0.804 88 L CB 1.782 43.961 42.059 0.201 0.000 1.197 88 L HN 0.158 nan 8.230 nan 0.000 0.431 89 S N 2.573 118.409 115.700 0.226 0.000 2.651 89 S HA 0.365 4.835 4.470 -0.000 0.000 0.291 89 S C -1.743 172.944 174.600 0.145 0.000 1.141 89 S CA -1.147 57.164 58.200 0.184 0.000 1.027 89 S CB 1.988 65.240 63.200 0.086 0.000 1.043 89 S HN 0.400 nan 8.310 nan 0.000 0.530 90 P HA -0.218 nan 4.420 nan 0.000 0.216 90 P C 1.353 178.419 177.300 -0.390 0.000 1.157 90 P CA 1.253 64.132 63.100 -0.370 0.000 0.880 90 P CB 0.023 31.625 31.700 -0.162 0.000 0.791 91 E N -0.371 119.731 120.200 -0.164 0.000 2.265 91 E HA -0.141 4.209 4.350 -0.000 0.000 0.196 91 E C 1.811 178.360 176.600 -0.085 0.000 0.996 91 E CA 1.539 57.868 56.400 -0.119 0.000 0.832 91 E CB -1.108 28.559 29.700 -0.056 0.000 0.756 91 E HN 0.243 nan 8.360 nan 0.000 0.491 92 A N 0.944 123.743 122.820 -0.034 0.000 1.935 92 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 92 A C 1.835 179.493 177.584 0.124 0.000 1.178 92 A CA 1.093 53.174 52.037 0.073 0.000 0.640 92 A CB -0.502 18.591 19.000 0.155 0.000 0.825 92 A HN 0.455 nan 8.150 nan 0.000 0.447 93 Y N -1.649 118.693 120.300 0.070 0.000 2.444 93 Y HA 0.450 5.000 4.550 -0.000 0.000 0.252 93 Y C 0.700 176.628 175.900 0.047 0.000 1.091 93 Y CA -0.652 57.505 58.100 0.094 0.000 1.276 93 Y CB -0.189 38.397 38.460 0.210 0.000 1.170 93 Y HN 0.171 nan 8.280 nan 0.000 0.517 94 Q N 2.013 121.491 119.800 -0.537 0.000 2.306 94 Q HA 0.178 4.518 4.340 -0.000 0.000 0.241 94 Q C -0.161 175.654 176.000 -0.309 0.000 0.948 94 Q CA -0.457 55.111 55.803 -0.391 0.000 0.886 94 Q CB 0.434 28.892 28.738 -0.467 0.000 1.227 94 Q HN 0.349 nan 8.270 nan 0.000 0.457 95 N N 1.969 120.380 118.700 -0.482 0.000 2.716 95 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 95 N C -1.086 174.203 175.510 -0.369 0.000 1.033 95 N CA 0.729 53.286 53.050 -0.822 0.000 0.727 95 N CB -0.979 37.255 38.487 -0.421 0.000 0.950 95 N HN 0.559 nan 8.380 nan 0.000 0.541 96 N N 0.128 118.708 118.700 -0.199 0.000 2.483 96 N HA 0.310 5.050 4.740 -0.000 0.000 0.267 96 N C -1.984 173.576 175.510 0.082 0.000 0.998 96 N CA -1.890 51.154 53.050 -0.009 0.000 0.918 96 N CB 1.633 40.127 38.487 0.012 0.000 1.215 96 N HN -0.182 nan 8.380 nan 0.000 0.500 97 P HA -0.019 nan 4.420 nan 0.000 0.223 97 P C 0.704 178.043 177.300 0.064 0.000 1.144 97 P CA 0.912 64.081 63.100 0.116 0.000 0.783 97 P CB 0.389 32.144 31.700 0.091 0.000 0.771 98 R N -1.057 119.468 120.500 0.042 0.000 2.317 98 R HA 0.183 4.523 4.340 -0.000 0.000 0.208 98 R C -0.019 176.266 176.300 -0.026 0.000 0.914 98 R CA 0.150 56.252 56.100 0.003 0.000 1.060 98 R CB -0.062 30.236 30.300 -0.003 0.000 1.015 98 R HN 0.150 nan 8.270 nan 0.000 0.498 99 V N 0.162 120.087 119.914 0.018 0.000 2.487 99 V HA 0.659 4.779 4.120 -0.000 0.000 0.298 99 V C 0.476 176.609 176.094 0.066 0.000 1.028 99 V CA -0.778 61.536 62.300 0.023 0.000 0.860 99 V CB 1.781 33.672 31.823 0.113 0.000 0.991 99 V HN 0.285 nan 8.190 nan 0.000 0.427 100 G N 3.082 111.896 108.800 0.024 0.000 3.105 100 G HA2 0.842 4.802 3.960 -0.000 0.000 0.277 100 G HA3 0.842 4.802 3.960 -0.000 0.000 0.277 100 G C -1.760 173.180 174.900 0.067 0.000 1.375 100 G CA -0.761 44.354 45.100 0.026 0.000 0.962 100 G HN 0.725 nan 8.290 nan 0.000 0.541 101 L N -0.316 120.898 121.223 -0.014 0.000 2.505 101 L HA 0.703 5.043 4.340 -0.000 0.000 0.266 101 L C -1.596 175.195 176.870 -0.133 0.000 0.954 101 L CA -0.778 54.061 54.840 -0.003 0.000 0.852 101 L CB 1.818 43.898 42.059 0.034 0.000 1.282 101 L HN 0.443 nan 8.230 nan 0.000 0.403 102 I N 5.274 125.777 120.570 -0.111 0.000 2.493 102 I HA 0.716 4.886 4.170 -0.000 0.000 0.279 102 I C -0.519 175.584 176.117 -0.023 0.000 1.045 102 I CA -0.292 60.931 61.300 -0.128 0.000 1.106 102 I CB 1.722 39.631 38.000 -0.152 0.000 1.216 102 I HN 0.676 nan 8.210 nan 0.000 0.459 103 A N 4.260 127.090 122.820 0.015 0.000 2.520 103 A HA 0.972 5.292 4.320 -0.000 0.000 0.298 103 A C -0.625 176.995 177.584 0.060 0.000 1.051 103 A CA -0.452 51.605 52.037 0.032 0.000 0.690 103 A CB 1.937 20.950 19.000 0.021 0.000 1.281 103 A HN 0.741 nan 8.150 nan 0.000 0.402 104 G N -0.273 108.564 108.800 0.061 0.000 2.788 104 G HA2 0.819 4.779 3.960 -0.000 0.000 0.293 104 G HA3 0.819 4.779 3.960 -0.000 0.000 0.293 104 G C -0.587 174.350 174.900 0.061 0.000 1.392 104 G CA 0.161 45.303 45.100 0.070 0.000 0.810 104 G HN 1.866 nan 8.290 nan 0.000 0.508 105 S N -1.958 113.780 115.700 0.063 0.000 2.595 105 S HA 0.663 5.133 4.470 -0.000 0.000 0.281 105 S C 0.968 175.603 174.600 0.058 0.000 1.117 105 S CA 0.228 58.462 58.200 0.058 0.000 0.873 105 S CB 1.581 64.818 63.200 0.061 0.000 1.108 105 S HN 1.479 nan 8.310 nan 0.000 0.477 106 G N -0.037 108.794 108.800 0.051 0.000 2.430 106 G HA2 0.329 4.289 3.960 -0.000 0.000 0.216 106 G HA3 0.329 4.289 3.960 -0.000 0.000 0.216 106 G C 0.842 175.782 174.900 0.068 0.000 1.146 106 G CA 0.382 45.514 45.100 0.054 0.000 0.793 106 G HN 1.250 nan 8.290 nan 0.000 0.537 107 G N -1.259 107.584 108.800 0.071 0.000 3.695 107 G HA2 0.475 4.435 3.960 -0.000 0.000 0.277 107 G HA3 0.475 4.435 3.960 -0.000 0.000 0.277 107 G C 1.008 175.947 174.900 0.064 0.000 1.001 107 G CA 0.789 45.931 45.100 0.072 0.000 0.837 107 G HN 1.064 nan 8.290 nan 0.000 0.492 108 G N 0.521 109.359 108.800 0.064 0.000 2.574 108 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.301 108 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.301 108 G C 0.405 175.349 174.900 0.072 0.000 1.166 108 G CA 0.774 45.912 45.100 0.064 0.000 0.971 108 G HN 1.492 nan 8.290 nan 0.000 0.542 109 S N 1.363 117.114 115.700 0.086 0.000 2.383 109 S HA 0.645 5.115 4.470 -0.000 0.000 0.196 109 S C -1.387 173.267 174.600 0.091 0.000 1.364 109 S CA 0.057 58.326 58.200 0.115 0.000 1.212 109 S CB 1.794 65.119 63.200 0.207 0.000 1.171 109 S HN 0.268 nan 8.310 nan 0.000 0.456 110 P HA -0.091 nan 4.420 nan 0.000 0.216 110 P C 1.532 178.782 177.300 -0.084 0.000 1.150 110 P CA 0.675 63.759 63.100 -0.028 0.000 0.837 110 P CB 0.133 31.797 31.700 -0.059 0.000 0.786 111 R N -0.856 119.568 120.500 -0.127 0.000 2.083 111 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 111 R C 1.854 178.004 176.300 -0.250 0.000 1.137 111 R CA 1.730 57.672 56.100 -0.263 0.000 0.951 111 R CB -0.946 29.149 30.300 -0.341 0.000 0.851 111 R HN 0.109 nan 8.270 nan 0.000 0.434 112 F N 0.664 120.626 119.950 0.020 0.000 2.456 112 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 112 F C 2.456 178.343 175.800 0.145 0.000 1.104 112 F CA 0.770 58.834 58.000 0.106 0.000 1.435 112 F CB 0.066 39.097 39.000 0.052 0.000 1.078 112 F HN 0.123 nan 8.300 nan 0.000 0.546 113 Q N -0.311 119.608 119.800 0.197 0.000 2.119 113 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 113 Q C 2.352 178.401 176.000 0.083 0.000 0.972 113 Q CA 1.445 57.325 55.803 0.128 0.000 0.847 113 Q CB -0.182 28.600 28.738 0.074 0.000 0.903 113 Q HN 0.276 nan 8.270 nan 0.000 0.433 114 V N 0.464 120.402 119.914 0.039 0.000 2.453 114 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 114 V C 1.865 177.983 176.094 0.040 0.000 1.048 114 V CA 1.441 63.746 62.300 0.008 0.000 1.049 114 V CB -0.588 31.195 31.823 -0.066 0.000 0.672 114 V HN 0.331 nan 8.190 nan 0.000 0.457 115 F N 2.373 122.287 119.950 -0.061 0.000 2.095 115 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 115 F C 2.190 178.009 175.800 0.033 0.000 1.104 115 F CA 1.870 59.849 58.000 -0.035 0.000 1.232 115 F CB -0.979 37.968 39.000 -0.088 0.000 0.987 115 F HN 0.136 nan 8.300 nan 0.000 0.475 116 G N -0.205 108.578 108.800 -0.029 0.000 2.446 116 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 116 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 116 G C 1.820 176.624 174.900 -0.161 0.000 1.168 116 G CA 1.072 46.099 45.100 -0.120 0.000 0.771 116 G HN 0.675 nan 8.290 nan 0.000 0.551 117 A N 0.836 123.608 122.820 -0.080 0.000 1.902 117 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 117 A C 2.119 179.646 177.584 -0.095 0.000 1.181 117 A CA 2.131 54.130 52.037 -0.063 0.000 0.623 117 A CB -0.398 18.590 19.000 -0.021 0.000 0.818 117 A HN 0.285 nan 8.150 nan 0.000 0.443 118 D N 0.091 120.417 120.400 -0.122 0.000 2.097 118 D HA -0.035 4.605 4.640 -0.000 0.000 0.195 118 D C 2.281 178.475 176.300 -0.177 0.000 0.989 118 D CA 1.618 55.550 54.000 -0.113 0.000 0.827 118 D CB -0.492 40.261 40.800 -0.078 0.000 0.966 118 D HN 0.394 nan 8.370 nan 0.000 0.456 119 A N 0.611 123.221 122.820 -0.350 0.000 1.902 119 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 119 A C 2.148 179.618 177.584 -0.191 0.000 1.181 119 A CA 1.854 53.682 52.037 -0.348 0.000 0.623 119 A CB -0.585 18.029 19.000 -0.643 0.000 0.818 119 A HN 0.181 nan 8.150 nan 0.000 0.443 120 M N -0.094 119.406 119.600 -0.167 0.000 2.213 120 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 120 M C 1.758 178.018 176.300 -0.067 0.000 1.062 120 M CA 1.510 56.753 55.300 -0.096 0.000 1.105 120 M CB -0.386 32.170 32.600 -0.074 0.000 1.385 120 M HN 0.364 nan 8.290 nan 0.000 0.417 121 R N -0.148 120.313 120.500 -0.066 0.000 2.310 121 R HA 0.225 4.565 4.340 -0.000 0.000 0.202 121 R C 1.038 177.316 176.300 -0.037 0.000 0.933 121 R CA 0.250 56.325 56.100 -0.042 0.000 1.054 121 R CB -0.315 29.966 30.300 -0.032 0.000 0.985 121 R HN 0.457 nan 8.270 nan 0.000 0.489 122 G N 1.161 109.932 108.800 -0.048 0.000 2.532 122 G HA2 0.139 4.099 3.960 -0.000 0.000 0.291 122 G HA3 0.139 4.099 3.960 -0.000 0.000 0.291 122 G C -1.455 173.429 174.900 -0.026 0.000 1.349 122 G CA -0.937 44.142 45.100 -0.035 0.000 1.038 122 G HN -0.069 nan 8.290 nan 0.000 0.518 123 P HA -0.007 nan 4.420 nan 0.000 0.230 123 P C 1.014 178.307 177.300 -0.012 0.000 1.158 123 P CA 0.652 63.745 63.100 -0.011 0.000 0.769 123 P CB 0.407 32.104 31.700 -0.005 0.000 0.807 124 R N -1.004 119.486 120.500 -0.016 0.000 2.335 124 R HA 0.214 4.554 4.340 -0.000 0.000 0.210 124 R C 1.605 177.892 176.300 -0.022 0.000 0.892 124 R CA 0.654 56.746 56.100 -0.014 0.000 1.048 124 R CB -0.087 30.209 30.300 -0.006 0.000 1.067 124 R HN 0.180 nan 8.270 nan 0.000 0.524 125 G N 2.194 110.974 108.800 -0.033 0.000 2.634 125 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.309 125 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.309 125 G C 0.897 175.772 174.900 -0.042 0.000 1.265 125 G CA 0.502 45.580 45.100 -0.038 0.000 0.998 125 G HN 0.223 nan 8.290 nan 0.000 0.551 126 L N 0.406 121.610 121.223 -0.032 0.000 2.129 126 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 126 L C 3.009 179.865 176.870 -0.023 0.000 1.087 126 L CA 2.231 57.054 54.840 -0.029 0.000 0.757 126 L CB -0.485 41.561 42.059 -0.023 0.000 0.896 126 L HN 0.538 nan 8.230 nan 0.000 0.434 127 K N -0.089 120.300 120.400 -0.018 0.000 2.148 127 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 127 K C 2.212 178.817 176.600 0.009 0.000 1.050 127 K CA 1.259 57.541 56.287 -0.008 0.000 0.942 127 K CB -0.179 32.319 32.500 -0.004 0.000 0.724 127 K HN 0.308 nan 8.250 nan 0.000 0.446 128 A N 0.837 123.655 122.820 -0.002 0.000 1.970 128 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 128 A C 2.278 179.873 177.584 0.019 0.000 1.170 128 A CA 0.828 52.872 52.037 0.012 0.000 0.645 128 A CB -0.312 18.664 19.000 -0.040 0.000 0.816 128 A HN 0.037 nan 8.150 nan 0.000 0.447 129 V N -0.447 119.447 119.914 -0.033 0.000 2.295 129 V HA 0.173 4.293 4.120 -0.000 0.000 0.246 129 V C 1.622 177.803 176.094 0.144 0.000 1.049 129 V CA 1.235 63.530 62.300 -0.008 0.000 1.024 129 V CB -1.875 29.929 31.823 -0.031 0.000 0.648 129 V HN 1.234 nan 8.190 nan 0.000 0.447 130 G N 0.409 109.242 108.800 0.056 0.000 2.781 130 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.683 130 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.683 130 G C -1.650 173.189 174.900 -0.101 0.000 1.390 130 G CA -0.084 45.016 45.100 0.000 0.000 0.850 130 G HN 0.313 nan 8.290 nan 0.000 0.557 131 P HA 0.217 nan 4.420 nan 0.000 0.262 131 P C 0.170 177.198 177.300 -0.453 0.000 1.304 131 P CA 0.675 63.526 63.100 -0.414 0.000 0.859 131 P CB 0.057 31.444 31.700 -0.521 0.000 1.310 132 Y N -1.410 118.873 120.300 -0.028 0.000 2.481 132 Y HA 0.126 4.676 4.550 -0.000 0.000 0.247 132 Y C 2.182 178.053 175.900 -0.048 0.000 1.151 132 Y CA -0.269 57.786 58.100 -0.075 0.000 1.238 132 Y CB -0.385 37.930 38.460 -0.242 0.000 1.179 132 Y HN -0.274 nan 8.280 nan 0.000 0.524 133 V N -1.320 118.672 119.914 0.129 0.000 2.548 133 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 133 V C 2.087 178.242 176.094 0.102 0.000 1.055 133 V CA 1.422 63.804 62.300 0.137 0.000 1.065 133 V CB -0.688 31.273 31.823 0.230 0.000 0.681 133 V HN 0.223 nan 8.190 nan 0.000 0.462 134 V N 1.297 121.269 119.914 0.097 0.000 2.255 134 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 134 V C 2.836 178.977 176.094 0.078 0.000 1.051 134 V CA 2.685 65.035 62.300 0.083 0.000 1.018 134 V CB -1.376 30.491 31.823 0.073 0.000 0.641 134 V HN 0.805 nan 8.190 nan 0.000 0.445 135 T N -2.004 112.614 114.554 0.107 0.000 2.962 135 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 135 T C 1.712 176.432 174.700 0.032 0.000 1.088 135 T CA 1.274 63.429 62.100 0.091 0.000 1.127 135 T CB -0.252 68.722 68.868 0.177 0.000 0.883 135 T HN 0.483 nan 8.240 nan 0.000 0.493 136 K N 0.980 121.366 120.400 -0.024 0.000 2.137 136 K HA 0.340 4.660 4.320 -0.000 0.000 0.202 136 K C 2.606 179.198 176.600 -0.013 0.000 1.052 136 K CA 0.944 57.146 56.287 -0.141 0.000 0.961 136 K CB -0.116 32.085 32.500 -0.500 0.000 0.741 136 K HN 0.419 nan 8.250 nan 0.000 0.452 137 A N 1.770 124.623 122.820 0.055 0.000 2.095 137 A HA 0.102 4.422 4.320 -0.000 0.000 0.212 137 A C 1.198 178.826 177.584 0.074 0.000 1.162 137 A CA -0.169 51.928 52.037 0.101 0.000 0.753 137 A CB -0.340 18.743 19.000 0.138 0.000 0.840 137 A HN 0.305 nan 8.150 nan 0.000 0.468 138 M N -1.492 118.144 119.600 0.060 0.000 2.252 138 M HA 0.465 4.945 4.480 -0.000 0.000 0.333 138 M C 0.973 177.304 176.300 0.051 0.000 1.111 138 M CA 0.441 55.772 55.300 0.052 0.000 1.140 138 M CB 0.472 33.100 32.600 0.047 0.000 1.538 138 M HN 0.063 nan 8.290 nan 0.000 0.448 139 A N 2.193 125.043 122.820 0.050 0.000 1.978 139 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 139 A C 2.053 179.670 177.584 0.056 0.000 1.170 139 A CA 2.105 54.173 52.037 0.052 0.000 0.636 139 A CB -1.025 18.005 19.000 0.048 0.000 0.810 139 A HN 1.021 nan 8.150 nan 0.000 0.448 140 S N -0.824 114.909 115.700 0.055 0.000 2.671 140 S HA 0.291 4.761 4.470 -0.000 0.000 0.220 140 S C 1.648 176.280 174.600 0.054 0.000 0.951 140 S CA 0.581 58.819 58.200 0.063 0.000 0.932 140 S CB -0.394 62.846 63.200 0.067 0.000 0.777 140 S HN 0.611 nan 8.310 nan 0.000 0.508 141 G N 2.307 111.135 108.800 0.047 0.000 2.513 141 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 141 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 141 G C 1.312 176.236 174.900 0.041 0.000 1.160 141 G CA 1.294 46.415 45.100 0.036 0.000 0.767 141 G HN 0.488 nan 8.290 nan 0.000 0.571 142 V N 1.746 121.690 119.914 0.050 0.000 2.332 142 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 142 V C 3.260 179.394 176.094 0.067 0.000 1.055 142 V CA 2.529 64.865 62.300 0.061 0.000 1.038 142 V CB -0.538 31.322 31.823 0.062 0.000 0.651 142 V HN 0.649 nan 8.190 nan 0.000 0.450 143 S N 0.692 116.429 115.700 0.062 0.000 2.377 143 S HA -0.015 4.455 4.470 -0.000 0.000 0.223 143 S C 2.148 176.781 174.600 0.055 0.000 1.030 143 S CA 1.001 59.235 58.200 0.057 0.000 0.970 143 S CB -0.471 62.766 63.200 0.061 0.000 0.830 143 S HN 0.536 nan 8.310 nan 0.000 0.473 144 A N 1.048 123.895 122.820 0.046 0.000 1.883 144 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 144 A C 2.395 179.984 177.584 0.008 0.000 1.186 144 A CA 1.650 53.699 52.037 0.021 0.000 0.624 144 A CB -1.543 17.460 19.000 0.006 0.000 0.822 144 A HN 0.700 nan 8.150 nan 0.000 0.444 145 C N -1.284 118.031 119.300 0.025 0.000 2.472 145 C HA 0.140 4.600 4.460 -0.000 0.000 0.278 145 C C 2.315 177.379 174.990 0.124 0.000 1.447 145 C CA 0.702 59.738 59.018 0.030 0.000 1.773 145 C CB -1.291 26.467 27.740 0.030 0.000 1.793 145 C HN 0.532 nan 8.230 nan 0.000 0.544 146 L N 0.477 121.803 121.223 0.171 0.000 2.349 146 L HA 0.253 4.593 4.340 -0.000 0.000 0.200 146 L C 2.660 179.698 176.870 0.280 0.000 1.064 146 L CA 1.616 56.642 54.840 0.310 0.000 0.821 146 L CB -1.232 40.965 42.059 0.231 0.000 1.027 146 L HN 0.151 nan 8.230 nan 0.000 0.476 147 A N -0.817 122.092 122.820 0.148 0.000 1.940 147 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 147 A C 2.311 179.967 177.584 0.119 0.000 1.176 147 A CA 2.512 54.623 52.037 0.124 0.000 0.631 147 A CB -1.022 18.023 19.000 0.075 0.000 0.814 147 A HN 0.423 nan 8.150 nan 0.000 0.446 148 T N 0.347 114.939 114.554 0.064 0.000 2.668 148 T HA -0.069 4.281 4.350 -0.000 0.000 0.262 148 T C -0.007 174.699 174.700 0.010 0.000 1.045 148 T CA 1.649 63.757 62.100 0.014 0.000 1.152 148 T CB -1.078 67.746 68.868 -0.074 0.000 0.864 148 T HN 0.526 nan 8.240 nan 0.000 0.419 149 P HA -0.010 nan 4.420 nan 0.000 0.219 149 P C 0.851 178.067 177.300 -0.140 0.000 1.150 149 P CA 1.075 64.116 63.100 -0.099 0.000 0.814 149 P CB -0.280 31.345 31.700 -0.126 0.000 0.787 150 F N 0.524 120.509 119.950 0.057 0.000 2.769 150 F HA 0.134 4.661 4.527 -0.000 0.000 0.304 150 F C 0.807 176.641 175.800 0.057 0.000 1.158 150 F CA -0.069 57.964 58.000 0.054 0.000 1.398 150 F CB -0.288 38.677 39.000 -0.057 0.000 1.094 150 F HN -0.224 nan 8.300 nan 0.000 0.553 151 K N 0.434 120.918 120.400 0.141 0.000 3.148 151 K HA -0.208 4.112 4.320 -0.000 0.000 0.267 151 K C -0.383 176.255 176.600 0.063 0.000 0.996 151 K CA 0.375 56.700 56.287 0.063 0.000 0.737 151 K CB -2.260 30.209 32.500 -0.050 0.000 1.308 151 K HN 0.210 nan 8.250 nan 0.000 0.470 152 I N 1.117 121.785 120.570 0.163 0.000 2.496 152 I HA 0.040 4.210 4.170 -0.000 0.000 0.285 152 I C 1.920 178.201 176.117 0.273 0.000 1.080 152 I CA 0.229 61.635 61.300 0.177 0.000 1.404 152 I CB 0.406 38.502 38.000 0.160 0.000 1.403 152 I HN 0.262 nan 8.210 nan 0.000 0.539 153 H N 3.219 122.326 119.070 0.061 0.000 2.874 153 H HA 0.180 4.736 4.556 -0.000 0.000 0.264 153 H C 1.343 176.687 175.328 0.027 0.000 1.007 153 H CA -0.022 56.048 56.048 0.036 0.000 1.207 153 H CB 1.384 31.164 29.762 0.030 0.000 1.487 153 H HN 0.768 nan 8.280 nan 0.000 0.505 154 G N 1.099 109.985 108.800 0.144 0.000 2.783 154 G HA2 0.217 4.177 3.960 -0.000 0.000 0.182 154 G HA3 0.217 4.177 3.960 -0.000 0.000 0.182 154 G C 0.177 175.091 174.900 0.023 0.000 1.516 154 G CA 0.058 45.197 45.100 0.066 0.000 1.079 154 G HN 0.123 nan 8.290 nan 0.000 0.573 155 V N -0.745 119.151 119.914 -0.031 0.000 2.872 155 V HA 0.447 4.567 4.120 -0.000 0.000 0.307 155 V C -0.226 175.770 176.094 -0.163 0.000 1.072 155 V CA -0.262 61.976 62.300 -0.105 0.000 1.148 155 V CB 1.139 32.833 31.823 -0.215 0.000 0.954 155 V HN 0.768 nan 8.190 nan 0.000 0.490 156 N N 3.374 121.968 118.700 -0.175 0.000 2.629 156 N HA 0.505 5.245 4.740 -0.000 0.000 0.277 156 N C -1.183 174.325 175.510 -0.004 0.000 1.188 156 N CA -0.562 52.419 53.050 -0.114 0.000 0.835 156 N CB 1.146 39.636 38.487 0.005 0.000 1.420 156 N HN 1.035 nan 8.380 nan 0.000 0.542 157 Y N -1.137 119.182 120.300 0.032 0.000 2.774 157 Y HA 0.646 5.196 4.550 -0.000 0.000 0.346 157 Y C -1.380 174.538 175.900 0.029 0.000 1.222 157 Y CA -1.211 56.905 58.100 0.027 0.000 1.088 157 Y CB 0.450 38.923 38.460 0.021 0.000 1.354 157 Y HN 0.119 nan 8.280 nan 0.000 0.455 158 S N 1.637 117.534 115.700 0.328 0.000 2.501 158 S HA 0.696 5.166 4.470 -0.000 0.000 0.301 158 S C -0.850 173.875 174.600 0.210 0.000 1.096 158 S CA -0.723 57.607 58.200 0.217 0.000 1.063 158 S CB 1.186 64.462 63.200 0.127 0.000 1.042 158 S HN 0.514 nan 8.310 nan 0.000 0.494 159 I N 1.970 122.650 120.570 0.182 0.000 2.412 159 I HA 0.479 4.649 4.170 -0.000 0.000 0.296 159 I C -0.025 176.158 176.117 0.111 0.000 0.987 159 I CA -0.310 61.069 61.300 0.133 0.000 1.180 159 I CB 1.935 40.030 38.000 0.157 0.000 1.340 159 I HN 0.485 nan 8.210 nan 0.000 0.455 160 S N 3.200 118.952 115.700 0.087 0.000 2.557 160 S HA 0.626 5.096 4.470 -0.000 0.000 0.291 160 S C -0.407 174.253 174.600 0.099 0.000 1.116 160 S CA -0.424 57.830 58.200 0.090 0.000 0.992 160 S CB 1.175 64.418 63.200 0.071 0.000 1.028 160 S HN 0.675 nan 8.310 nan 0.000 0.484 161 S N 2.700 118.479 115.700 0.132 0.000 2.607 161 S HA 0.617 5.087 4.470 -0.000 0.000 0.196 161 S C 0.522 175.206 174.600 0.140 0.000 0.911 161 S CA 0.012 58.308 58.200 0.161 0.000 1.133 161 S CB -0.213 63.162 63.200 0.292 0.000 1.612 161 S HN 1.939 nan 8.310 nan 0.000 0.437 162 A N 2.206 125.083 122.820 0.096 0.000 5.391 162 A HA -0.265 4.055 4.320 -0.000 0.000 0.315 162 A C 1.687 179.280 177.584 0.016 0.000 1.874 162 A CA 1.379 53.442 52.037 0.044 0.000 0.714 162 A CB -2.187 16.840 19.000 0.045 0.000 1.335 162 A HN 1.421 nan 8.150 nan 0.000 0.382 163 S N 0.218 115.912 115.700 -0.010 0.000 2.603 163 S HA 0.305 4.775 4.470 -0.000 0.000 0.229 163 S C 1.510 176.137 174.600 0.045 0.000 0.972 163 S CA 1.413 59.643 58.200 0.049 0.000 0.935 163 S CB -0.290 63.023 63.200 0.188 0.000 0.769 163 S HN 1.714 nan 8.310 nan 0.000 0.536 164 A N 0.587 123.424 122.820 0.030 0.000 2.390 164 A HA 0.237 4.557 4.320 -0.000 0.000 0.232 164 A C 1.855 179.435 177.584 -0.007 0.000 1.233 164 A CA 0.228 52.233 52.037 -0.052 0.000 0.907 164 A CB -0.578 18.374 19.000 -0.079 0.000 0.967 164 A HN 0.324 nan 8.150 nan 0.000 0.512 165 T N 1.620 116.221 114.554 0.078 0.000 2.527 165 T HA -0.286 4.064 4.350 -0.000 0.000 0.258 165 T C 2.197 176.942 174.700 0.075 0.000 1.175 165 T CA 2.809 64.973 62.100 0.107 0.000 1.168 165 T CB -0.581 68.331 68.868 0.072 0.000 0.860 165 T HN 0.815 nan 8.240 nan 0.000 0.429 166 S N 1.366 117.076 115.700 0.017 0.000 2.515 166 S HA 0.234 4.704 4.470 -0.000 0.000 0.231 166 S C 2.176 176.749 174.600 -0.046 0.000 0.987 166 S CA 0.713 58.907 58.200 -0.010 0.000 0.936 166 S CB -0.358 62.823 63.200 -0.032 0.000 0.766 166 S HN 0.580 nan 8.310 nan 0.000 0.528 167 A N 1.744 124.517 122.820 -0.079 0.000 1.898 167 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 167 A C 1.891 179.424 177.584 -0.086 0.000 1.183 167 A CA 1.081 53.043 52.037 -0.126 0.000 0.622 167 A CB -0.957 17.924 19.000 -0.199 0.000 0.824 167 A HN 0.653 nan 8.150 nan 0.000 0.444 168 H N -1.560 117.539 119.070 0.049 0.000 2.423 168 H HA -0.127 4.429 4.556 -0.000 0.000 0.297 168 H C 2.147 177.470 175.328 -0.008 0.000 1.075 168 H CA 1.203 57.302 56.048 0.086 0.000 1.342 168 H CB -0.137 29.700 29.762 0.126 0.000 1.395 168 H HN 0.533 nan 8.280 nan 0.000 0.530 169 C N 0.212 119.572 119.300 0.100 0.000 2.429 169 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 169 C C 2.671 177.626 174.990 -0.057 0.000 1.262 169 C CA 0.782 59.824 59.018 0.040 0.000 1.733 169 C CB -0.759 26.999 27.740 0.029 0.000 2.010 169 C HN 0.531 nan 8.230 nan 0.000 0.483 170 I N 0.981 121.484 120.570 -0.111 0.000 2.252 170 I HA -0.088 4.082 4.170 -0.000 0.000 0.245 170 I C 2.717 178.646 176.117 -0.313 0.000 1.102 170 I CA 1.749 62.942 61.300 -0.178 0.000 1.385 170 I CB -0.922 36.978 38.000 -0.166 0.000 1.064 170 I HN 0.439 nan 8.210 nan 0.000 0.414 171 G N 0.559 109.040 108.800 -0.533 0.000 2.422 171 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 171 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 171 G C 1.483 175.970 174.900 -0.689 0.000 1.146 171 G CA 0.630 44.958 45.100 -1.287 0.000 0.769 171 G HN 0.351 nan 8.290 nan 0.000 0.547 172 N N 1.007 119.549 118.700 -0.264 0.000 2.188 172 N HA -0.057 4.683 4.740 -0.000 0.000 0.184 172 N C 2.540 178.017 175.510 -0.055 0.000 1.018 172 N CA 1.047 54.078 53.050 -0.033 0.000 0.858 172 N CB -0.085 38.462 38.487 0.101 0.000 0.989 172 N HN 0.247 nan 8.380 nan 0.000 0.426 173 A N 0.772 123.525 122.820 -0.112 0.000 1.902 173 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 173 A C 2.473 179.987 177.584 -0.117 0.000 1.181 173 A CA 1.148 53.115 52.037 -0.117 0.000 0.623 173 A CB -0.762 18.154 19.000 -0.140 0.000 0.818 173 A HN 0.157 nan 8.150 nan 0.000 0.443 174 V N 0.145 119.969 119.914 -0.149 0.000 2.287 174 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 174 V C 2.423 178.487 176.094 -0.050 0.000 1.053 174 V CA 2.420 64.653 62.300 -0.111 0.000 1.027 174 V CB -0.895 30.844 31.823 -0.140 0.000 0.646 174 V HN 0.655 nan 8.190 nan 0.000 0.447 175 E N -0.599 119.586 120.200 -0.025 0.000 2.118 175 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 175 E C 2.394 179.005 176.600 0.017 0.000 0.992 175 E CA 1.132 57.551 56.400 0.033 0.000 0.804 175 E CB -0.161 29.589 29.700 0.084 0.000 0.741 175 E HN 0.541 nan 8.360 nan 0.000 0.458 176 Q N 0.191 119.990 119.800 -0.001 0.000 2.124 176 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 176 Q C 2.234 178.220 176.000 -0.023 0.000 0.977 176 Q CA 1.083 56.883 55.803 -0.006 0.000 0.850 176 Q CB -0.087 28.634 28.738 -0.028 0.000 0.901 176 Q HN 0.435 nan 8.270 nan 0.000 0.429 177 I N 0.410 120.955 120.570 -0.042 0.000 2.333 177 I HA -0.247 3.923 4.170 -0.000 0.000 0.246 177 I C 2.297 178.400 176.117 -0.024 0.000 1.106 177 I CA 0.801 62.072 61.300 -0.049 0.000 1.411 177 I CB -0.222 37.734 38.000 -0.073 0.000 1.082 177 I HN 0.210 nan 8.210 nan 0.000 0.420 178 Q N 0.621 120.415 119.800 -0.010 0.000 2.170 178 Q HA -0.156 4.184 4.340 -0.000 0.000 0.203 178 Q C 2.169 178.175 176.000 0.010 0.000 0.976 178 Q CA 1.252 57.058 55.803 0.006 0.000 0.858 178 Q CB -0.083 28.668 28.738 0.022 0.000 0.907 178 Q HN 0.531 nan 8.270 nan 0.000 0.433 179 L N -0.645 120.585 121.223 0.011 0.000 2.552 179 L HA 0.046 4.386 4.340 -0.000 0.000 0.227 179 L C 1.184 178.059 176.870 0.009 0.000 1.146 179 L CA 0.449 55.298 54.840 0.015 0.000 0.858 179 L CB -0.209 41.863 42.059 0.022 0.000 0.969 179 L HN 0.438 nan 8.230 nan 0.000 0.451 180 G N 0.148 108.949 108.800 0.000 0.000 2.153 180 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.252 180 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.252 180 G C 0.985 175.884 174.900 -0.003 0.000 0.994 180 G CA 0.619 45.717 45.100 -0.002 0.000 0.698 180 G HN 0.405 nan 8.290 nan 0.000 0.521 181 K N -0.909 119.488 120.400 -0.005 0.000 2.262 181 K HA 0.115 4.435 4.320 -0.000 0.000 0.200 181 K C 0.973 177.563 176.600 -0.016 0.000 1.049 181 K CA 0.761 57.047 56.287 -0.002 0.000 0.979 181 K CB 0.098 32.603 32.500 0.008 0.000 0.773 181 K HN 0.435 nan 8.250 nan 0.000 0.474 182 Q N -0.299 119.478 119.800 -0.039 0.000 2.421 182 Q HA 0.157 4.497 4.340 -0.000 0.000 0.280 182 Q C -0.503 175.430 176.000 -0.111 0.000 1.085 182 Q CA -0.367 55.394 55.803 -0.069 0.000 0.807 182 Q CB 1.978 30.666 28.738 -0.082 0.000 1.405 182 Q HN -0.048 nan 8.270 nan 0.000 0.419 183 D N 0.127 120.424 120.400 -0.172 0.000 2.379 183 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 183 D C 0.260 176.326 176.300 -0.390 0.000 1.006 183 D CA 0.739 54.558 54.000 -0.302 0.000 0.893 183 D CB 1.426 41.949 40.800 -0.461 0.000 1.019 183 D HN 0.356 nan 8.370 nan 0.000 0.503 184 I N 0.652 121.021 120.570 -0.335 0.000 2.656 184 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 184 I C -1.233 174.679 176.117 -0.342 0.000 1.144 184 I CA -0.815 60.257 61.300 -0.379 0.000 1.038 184 I CB 3.380 41.119 38.000 -0.435 0.000 1.244 184 I HN -0.417 nan 8.210 nan 0.000 0.420 185 V N 5.562 125.238 119.914 -0.398 0.000 2.612 185 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 185 V C -0.804 175.064 176.094 -0.378 0.000 1.059 185 V CA -0.578 61.541 62.300 -0.301 0.000 0.886 185 V CB 1.771 33.478 31.823 -0.193 0.000 1.007 185 V HN 0.384 nan 8.190 nan 0.000 0.426 186 F N 3.421 123.267 119.950 -0.172 0.000 2.445 186 F HA 0.695 5.222 4.527 -0.000 0.000 0.359 186 F C 0.743 176.445 175.800 -0.164 0.000 1.101 186 F CA -0.001 57.883 58.000 -0.194 0.000 1.177 186 F CB 1.174 40.020 39.000 -0.256 0.000 1.110 186 F HN 0.579 nan 8.300 nan 0.000 0.522 187 A N 2.488 125.298 122.820 -0.016 0.000 2.386 187 A HA 0.942 5.262 4.320 -0.000 0.000 0.311 187 A C -0.016 177.542 177.584 -0.044 0.000 1.068 187 A CA 0.090 52.100 52.037 -0.044 0.000 0.743 187 A CB 1.472 20.419 19.000 -0.088 0.000 1.258 187 A HN 1.019 nan 8.150 nan 0.000 0.429 188 G N -0.281 108.500 108.800 -0.033 0.000 2.512 188 G HA2 0.738 4.698 3.960 -0.000 0.000 0.181 188 G HA3 0.738 4.698 3.960 -0.000 0.000 0.181 188 G C -0.094 174.799 174.900 -0.011 0.000 1.173 188 G CA 0.479 45.557 45.100 -0.037 0.000 0.988 188 G HN 2.388 nan 8.290 nan 0.000 0.485 189 G N -2.178 106.620 108.800 -0.003 0.000 2.320 189 G HA2 0.787 4.747 3.960 -0.000 0.000 0.296 189 G HA3 0.787 4.747 3.960 -0.000 0.000 0.296 189 G C -0.493 174.432 174.900 0.041 0.000 1.306 189 G CA 0.764 45.878 45.100 0.023 0.000 0.836 189 G HN 2.162 nan 8.290 nan 0.000 0.517 190 G N -1.345 107.494 108.800 0.065 0.000 2.660 190 G HA2 0.707 4.667 3.960 -0.000 0.000 0.290 190 G HA3 0.707 4.667 3.960 -0.000 0.000 0.290 190 G C -1.960 173.006 174.900 0.109 0.000 1.432 190 G CA -0.147 45.020 45.100 0.113 0.000 0.807 190 G HN 0.797 nan 8.290 nan 0.000 0.485 191 E N -0.402 119.897 120.200 0.164 0.000 2.347 191 E HA 0.368 4.718 4.350 -0.000 0.000 0.285 191 E C -0.285 176.432 176.600 0.196 0.000 0.925 191 E CA -0.666 55.809 56.400 0.124 0.000 0.779 191 E CB 1.536 31.271 29.700 0.059 0.000 1.233 191 E HN 0.715 nan 8.360 nan 0.000 0.414 192 E N 2.908 123.186 120.200 0.130 0.000 2.342 192 E HA 0.447 4.797 4.350 -0.000 0.000 0.257 192 E C -0.752 175.907 176.600 0.099 0.000 1.150 192 E CA -0.852 55.624 56.400 0.126 0.000 0.926 192 E CB 1.206 30.930 29.700 0.040 0.000 1.074 192 E HN 0.245 nan 8.360 nan 0.000 0.449 193 L N 1.879 123.139 121.223 0.062 0.000 2.372 193 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 193 L C -1.363 175.538 176.870 0.052 0.000 0.988 193 L CA -0.285 54.555 54.840 0.000 0.000 0.833 193 L CB 0.992 42.917 42.059 -0.223 0.000 1.236 193 L HN 0.952 nan 8.230 nan 0.000 0.410 194 C N 1.913 121.303 119.300 0.149 0.000 3.307 194 C HA 0.440 4.900 4.460 -0.000 0.000 0.333 194 C C 1.040 176.137 174.990 0.178 0.000 1.291 194 C CA -0.887 58.226 59.018 0.158 0.000 1.273 194 C CB 0.640 28.343 27.740 -0.063 0.000 1.580 194 C HN 1.058 nan 8.230 nan 0.000 0.481 195 W N 0.803 122.211 121.300 0.180 0.000 2.402 195 W HA 0.035 4.695 4.660 0.000 0.000 0.286 195 W C 1.048 177.631 176.519 0.107 0.000 1.221 195 W CA 1.809 59.229 57.345 0.125 0.000 1.257 195 W CB -1.044 28.452 29.460 0.060 0.000 1.120 195 W HN 0.874 nan 8.180 nan 0.000 0.551 196 E N 0.787 120.381 120.200 -1.010 0.000 2.130 196 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 196 E C 2.336 178.774 176.600 -0.270 0.000 0.998 196 E CA 2.646 58.468 56.400 -0.963 0.000 0.806 196 E CB -0.610 28.553 29.700 -0.895 0.000 0.738 196 E HN 0.352 nan 8.360 nan 0.000 0.459 197 M N -0.747 118.793 119.600 -0.100 0.000 2.429 197 M HA 0.104 4.584 4.480 -0.000 0.000 0.265 197 M C 2.097 178.541 176.300 0.240 0.000 1.120 197 M CA 1.136 56.478 55.300 0.071 0.000 1.173 197 M CB 0.111 32.785 32.600 0.123 0.000 1.343 197 M HN 0.170 nan 8.290 nan 0.000 0.464 198 A N 0.489 123.481 122.820 0.286 0.000 1.940 198 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 198 A C 2.320 180.103 177.584 0.332 0.000 1.176 198 A CA 1.799 54.062 52.037 0.375 0.000 0.631 198 A CB -1.697 17.491 19.000 0.315 0.000 0.814 198 A HN 0.868 nan 8.150 nan 0.000 0.446 199 C N -0.874 118.594 119.300 0.281 0.000 2.422 199 C HA -0.048 4.412 4.460 -0.000 0.000 0.279 199 C C 2.174 177.261 174.990 0.161 0.000 1.305 199 C CA 1.176 60.337 59.018 0.238 0.000 1.757 199 C CB -1.455 26.471 27.740 0.309 0.000 1.962 199 C HN 0.589 nan 8.230 nan 0.000 0.499 200 E N 0.632 120.891 120.200 0.099 0.000 2.150 200 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 200 E C 1.722 178.288 176.600 -0.057 0.000 0.985 200 E CA 1.307 57.689 56.400 -0.029 0.000 0.814 200 E CB -0.389 29.215 29.700 -0.160 0.000 0.752 200 E HN 0.774 nan 8.360 nan 0.000 0.466 201 F N 0.553 120.574 119.950 0.119 0.000 2.206 201 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 201 F C 2.145 177.973 175.800 0.047 0.000 1.090 201 F CA 1.069 59.139 58.000 0.117 0.000 1.323 201 F CB -0.188 38.874 39.000 0.103 0.000 1.028 201 F HN 0.006 nan 8.300 nan 0.000 0.492 202 D N 0.235 120.762 120.400 0.212 0.000 2.144 202 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 202 D C 2.268 178.622 176.300 0.091 0.000 0.984 202 D CA 1.211 55.279 54.000 0.113 0.000 0.834 202 D CB -0.215 40.649 40.800 0.106 0.000 0.955 202 D HN 0.167 nan 8.370 nan 0.000 0.465 203 A N 0.824 123.698 122.820 0.090 0.000 2.024 203 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 203 A C 2.209 179.826 177.584 0.055 0.000 1.164 203 A CA 1.856 53.930 52.037 0.062 0.000 0.643 203 A CB -0.738 18.293 19.000 0.051 0.000 0.806 203 A HN 0.520 nan 8.150 nan 0.000 0.451 204 M N -3.075 116.570 119.600 0.074 0.000 2.431 204 M HA 0.461 4.941 4.480 -0.000 0.000 0.237 204 M C 1.003 177.355 176.300 0.086 0.000 1.130 204 M CA 0.661 56.005 55.300 0.073 0.000 1.002 204 M CB 0.068 32.719 32.600 0.084 0.000 1.524 204 M HN 0.609 nan 8.290 nan 0.000 0.482 205 G N 0.976 109.824 108.800 0.080 0.000 2.176 205 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 205 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 205 G C 0.719 175.663 174.900 0.072 0.000 1.024 205 G CA 0.371 45.509 45.100 0.063 0.000 0.755 205 G HN 0.777 nan 8.290 nan 0.000 0.507 206 A N -0.999 121.880 122.820 0.099 0.000 2.132 206 A HA 0.648 4.968 4.320 -0.000 0.000 0.213 206 A C 1.257 178.688 177.584 -0.254 0.000 1.154 206 A CA 0.704 52.788 52.037 0.079 0.000 0.753 206 A CB 0.152 19.365 19.000 0.355 0.000 0.826 206 A HN 0.651 nan 8.150 nan 0.000 0.469 207 L N -0.117 120.948 121.223 -0.263 0.000 2.360 207 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 207 L C 0.716 177.506 176.870 -0.132 0.000 1.057 207 L CA -0.607 54.019 54.840 -0.357 0.000 0.803 207 L CB 1.550 43.449 42.059 -0.266 0.000 1.207 207 L HN 0.145 nan 8.230 nan 0.000 0.445 208 S N 0.093 115.744 115.700 -0.082 0.000 2.549 208 S HA 0.124 4.594 4.470 -0.000 0.000 0.283 208 S C 0.792 175.402 174.600 0.016 0.000 1.320 208 S CA 0.179 58.400 58.200 0.035 0.000 1.058 208 S CB 0.438 63.703 63.200 0.109 0.000 0.882 208 S HN 0.832 nan 8.310 nan 0.000 0.498 209 T N 1.541 116.101 114.554 0.009 0.000 3.009 209 T HA 0.323 4.673 4.350 -0.000 0.000 0.267 209 T C 1.013 175.649 174.700 -0.108 0.000 0.942 209 T CA -0.405 61.654 62.100 -0.067 0.000 0.883 209 T CB -0.121 68.699 68.868 -0.081 0.000 1.192 209 T HN 0.588 nan 8.240 nan 0.000 0.524 210 K N 0.324 120.644 120.400 -0.133 0.000 2.459 210 K HA 0.176 4.496 4.320 -0.000 0.000 0.193 210 K C -0.313 175.937 176.600 -0.585 0.000 1.030 210 K CA 0.555 56.607 56.287 -0.392 0.000 1.026 210 K CB 0.058 32.207 32.500 -0.584 0.000 0.809 210 K HN 0.502 nan 8.250 nan 0.000 0.504 211 Y N -0.191 120.102 120.300 -0.012 0.000 2.699 211 Y HA 0.213 4.763 4.550 -0.000 0.000 0.282 211 Y C 0.734 176.647 175.900 0.022 0.000 1.058 211 Y CA -0.707 57.397 58.100 0.006 0.000 1.194 211 Y CB 0.024 38.496 38.460 0.019 0.000 1.193 211 Y HN -0.017 nan 8.280 nan 0.000 0.562 212 N N 0.644 119.399 118.700 0.092 0.000 2.223 212 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 212 N C 0.920 176.521 175.510 0.152 0.000 1.016 212 N CA 1.416 54.549 53.050 0.138 0.000 0.863 212 N CB 0.070 38.608 38.487 0.085 0.000 0.983 212 N HN 0.497 nan 8.380 nan 0.000 0.429 213 D N -0.028 120.421 120.400 0.081 0.000 2.269 213 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 213 D C 0.608 176.944 176.300 0.060 0.000 0.963 213 D CA 0.928 54.950 54.000 0.038 0.000 0.864 213 D CB 0.027 40.832 40.800 0.008 0.000 0.936 213 D HN 0.332 nan 8.370 nan 0.000 0.505 214 T N -1.918 112.704 114.554 0.114 0.000 3.410 214 T HA 0.347 4.697 4.350 -0.000 0.000 0.328 214 T C -2.331 172.446 174.700 0.128 0.000 1.567 214 T CA -1.757 60.409 62.100 0.110 0.000 1.626 214 T CB 1.876 70.815 68.868 0.118 0.000 0.939 214 T HN -0.293 nan 8.240 nan 0.000 0.656 215 P HA -0.180 nan 4.420 nan 0.000 0.216 215 P C 1.390 178.745 177.300 0.091 0.000 1.157 215 P CA 1.360 64.544 63.100 0.140 0.000 0.880 215 P CB 0.126 31.930 31.700 0.173 0.000 0.791 216 E N -0.620 119.621 120.200 0.067 0.000 2.409 216 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 216 E C 1.290 177.885 176.600 -0.008 0.000 1.024 216 E CA 0.761 57.181 56.400 0.033 0.000 0.861 216 E CB -0.265 29.452 29.700 0.028 0.000 0.788 216 E HN 0.436 nan 8.360 nan 0.000 0.521 217 K N -0.247 120.137 120.400 -0.027 0.000 2.358 217 K HA 0.225 4.545 4.320 -0.000 0.000 0.200 217 K C 1.744 178.164 176.600 -0.300 0.000 1.030 217 K CA 0.233 56.444 56.287 -0.128 0.000 1.097 217 K CB 0.748 33.185 32.500 -0.106 0.000 0.862 217 K HN -0.028 nan 8.250 nan 0.000 0.534 218 A N 1.351 124.075 122.820 -0.160 0.000 1.877 218 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 218 A C 1.423 178.912 177.584 -0.157 0.000 1.186 218 A CA 1.227 53.171 52.037 -0.155 0.000 0.620 218 A CB -0.177 18.868 19.000 0.075 0.000 0.822 218 A HN 0.166 nan 8.150 nan 0.000 0.443 219 S N 0.495 116.149 115.700 -0.077 0.000 2.422 219 S HA 0.408 4.878 4.470 -0.000 0.000 0.283 219 S C 0.264 174.802 174.600 -0.103 0.000 1.163 219 S CA -0.577 57.591 58.200 -0.053 0.000 1.054 219 S CB -0.199 62.995 63.200 -0.011 0.000 0.967 219 S HN 0.489 nan 8.310 nan 0.000 0.499 220 R N 2.673 123.104 120.500 -0.115 0.000 2.638 220 R HA 0.241 4.581 4.340 -0.000 0.000 0.261 220 R C -0.618 175.615 176.300 -0.111 0.000 1.515 220 R CA -0.655 55.377 56.100 -0.113 0.000 1.623 220 R CB -0.676 29.540 30.300 -0.140 0.000 1.347 220 R HN 0.384 nan 8.270 nan 0.000 0.705 221 T N 2.180 116.617 114.554 -0.194 0.000 2.891 221 T HA -0.103 4.247 4.350 -0.000 0.000 0.296 221 T C -0.044 174.451 174.700 -0.341 0.000 1.025 221 T CA 0.903 62.760 62.100 -0.406 0.000 1.149 221 T CB -0.093 68.369 68.868 -0.677 0.000 1.007 221 T HN 0.563 nan 8.240 nan 0.000 0.528 222 Y N -1.332 118.976 120.300 0.013 0.000 4.929 222 Y HA -0.212 4.338 4.550 -0.000 0.000 0.253 222 Y C 0.668 176.575 175.900 0.011 0.000 0.946 222 Y CA 0.445 58.553 58.100 0.014 0.000 1.905 222 Y CB -2.365 36.102 38.460 0.013 0.000 1.400 222 Y HN 0.794 nan 8.280 nan 0.000 0.531 223 D N 0.391 120.854 120.400 0.106 0.000 2.304 223 D HA 0.594 5.234 4.640 -0.000 0.000 0.250 223 D C 1.270 177.601 176.300 0.052 0.000 1.107 223 D CA 0.689 54.740 54.000 0.084 0.000 0.885 223 D CB 1.346 42.183 40.800 0.061 0.000 1.192 223 D HN 0.242 nan 8.370 nan 0.000 0.436 224 A N 3.205 126.029 122.820 0.006 0.000 2.032 224 A HA -0.193 4.127 4.320 -0.000 0.000 0.221 224 A C 0.980 178.349 177.584 -0.359 0.000 1.165 224 A CA 1.438 53.365 52.037 -0.183 0.000 0.645 224 A CB -0.595 18.235 19.000 -0.282 0.000 0.807 224 A HN 0.778 nan 8.150 nan 0.000 0.453 225 H N -0.489 118.636 119.070 0.092 0.000 2.472 225 H HA 0.227 4.783 4.556 -0.000 0.000 0.287 225 H C 0.396 175.827 175.328 0.172 0.000 1.112 225 H CA -0.377 55.752 56.048 0.135 0.000 1.021 225 H CB 0.008 29.875 29.762 0.175 0.000 1.635 225 H HN 0.600 nan 8.280 nan 0.000 0.559 226 R N 1.051 121.642 120.500 0.151 0.000 2.641 226 R HA 0.105 4.445 4.340 -0.000 0.000 0.269 226 R C -0.454 175.946 176.300 0.167 0.000 1.074 226 R CA -0.031 56.145 56.100 0.126 0.000 1.133 226 R CB 0.606 30.940 30.300 0.056 0.000 1.029 226 R HN 0.231 nan 8.270 nan 0.000 0.488 227 D N 0.021 120.530 120.400 0.182 0.000 2.865 227 D HA 0.225 4.864 4.640 -0.000 0.000 0.347 227 D C 0.006 176.371 176.300 0.109 0.000 1.498 227 D CA -0.000 54.091 54.000 0.152 0.000 0.787 227 D CB 0.379 41.285 40.800 0.177 0.000 1.190 227 D HN 0.925 nan 8.370 nan 0.000 0.445 228 G N 0.400 109.264 108.800 0.107 0.000 2.459 228 G HA2 0.224 4.184 3.960 -0.000 0.000 0.685 228 G HA3 0.224 4.184 3.960 -0.000 0.000 0.685 228 G C -0.564 174.400 174.900 0.106 0.000 1.303 228 G CA -0.690 44.461 45.100 0.085 0.000 0.907 228 G HN 0.335 nan 8.290 nan 0.000 0.632 229 F N -0.595 119.400 119.950 0.075 0.000 2.368 229 F HA 0.812 5.339 4.527 0.000 0.000 0.315 229 F C 0.284 176.114 175.800 0.049 0.000 1.145 229 F CA -1.450 56.578 58.000 0.047 0.000 1.095 229 F CB 1.212 40.255 39.000 0.072 0.000 1.286 229 F HN 0.399 nan 8.300 nan 0.000 0.530 230 V N 4.091 124.200 119.914 0.324 0.000 2.347 230 V HA 0.256 4.376 4.120 -0.000 0.000 0.280 230 V C 0.237 176.537 176.094 0.344 0.000 1.021 230 V CA -0.852 61.574 62.300 0.210 0.000 0.847 230 V CB 1.076 32.993 31.823 0.158 0.000 0.990 230 V HN 0.840 nan 8.190 nan 0.000 0.444 231 I N 4.734 125.464 120.570 0.268 0.000 2.754 231 I HA 0.507 4.677 4.170 -0.000 0.000 0.285 231 I C 0.486 176.714 176.117 0.184 0.000 1.166 231 I CA 0.542 61.994 61.300 0.254 0.000 1.417 231 I CB 0.876 38.974 38.000 0.164 0.000 1.382 231 I HN 0.799 nan 8.210 nan 0.000 0.588 232 A N 4.777 127.646 122.820 0.081 0.000 2.593 232 A HA 0.874 5.194 4.320 -0.000 0.000 0.290 232 A C -0.656 176.895 177.584 -0.054 0.000 1.126 232 A CA -0.076 51.962 52.037 0.002 0.000 0.695 232 A CB 1.280 20.287 19.000 0.011 0.000 1.290 232 A HN 0.832 nan 8.150 nan 0.000 0.414 233 G N -1.850 106.876 108.800 -0.123 0.000 3.015 233 G HA2 0.957 4.917 3.960 -0.000 0.000 0.281 233 G HA3 0.957 4.917 3.960 -0.000 0.000 0.281 233 G C 0.005 174.771 174.900 -0.224 0.000 1.386 233 G CA -0.280 44.759 45.100 -0.100 0.000 0.959 233 G HN 2.371 nan 8.290 nan 0.000 0.522 234 G N -2.322 106.316 108.800 -0.271 0.000 2.325 234 G HA2 0.604 4.564 3.960 -0.000 0.000 0.285 234 G HA3 0.604 4.564 3.960 -0.000 0.000 0.285 234 G C -0.305 174.526 174.900 -0.116 0.000 1.303 234 G CA 0.209 45.005 45.100 -0.508 0.000 0.970 234 G HN 2.033 nan 8.290 nan 0.000 0.490 235 G N -1.871 106.872 108.800 -0.095 0.000 2.682 235 G HA2 1.024 4.984 3.960 -0.000 0.000 0.290 235 G HA3 1.024 4.984 3.960 -0.000 0.000 0.290 235 G C -0.346 174.533 174.900 -0.034 0.000 1.425 235 G CA 0.403 45.516 45.100 0.022 0.000 0.807 235 G HN 2.140 nan 8.290 nan 0.000 0.482 236 G N -1.327 107.453 108.800 -0.033 0.000 2.703 236 G HA2 0.677 4.637 3.960 -0.000 0.000 0.294 236 G HA3 0.677 4.637 3.960 -0.000 0.000 0.294 236 G C -1.728 173.134 174.900 -0.064 0.000 1.451 236 G CA -0.589 44.467 45.100 -0.074 0.000 0.869 236 G HN 0.959 nan 8.290 nan 0.000 0.516 237 M N 0.842 120.395 119.600 -0.078 0.000 2.414 237 M HA 0.655 5.135 4.480 -0.000 0.000 0.287 237 M C -1.130 175.124 176.300 -0.076 0.000 1.181 237 M CA -0.706 54.554 55.300 -0.067 0.000 0.933 237 M CB 2.276 34.834 32.600 -0.071 0.000 1.732 237 M HN 1.233 nan 8.290 nan 0.000 0.486 238 V N 1.569 121.440 119.914 -0.071 0.000 2.876 238 V HA 0.898 5.018 4.120 -0.000 0.000 0.312 238 V C -1.186 174.846 176.094 -0.104 0.000 1.085 238 V CA -0.936 61.307 62.300 -0.096 0.000 0.945 238 V CB 1.845 33.589 31.823 -0.132 0.000 1.017 238 V HN 0.606 nan 8.190 nan 0.000 0.428 239 V N 3.798 123.631 119.914 -0.135 0.000 2.334 239 V HA 0.353 4.473 4.120 -0.000 0.000 0.267 239 V C 0.154 176.105 176.094 -0.238 0.000 1.040 239 V CA -0.322 61.810 62.300 -0.279 0.000 0.866 239 V CB 1.069 32.742 31.823 -0.251 0.000 1.019 239 V HN 0.729 nan 8.190 nan 0.000 0.468 240 V N 5.317 125.064 119.914 -0.279 0.000 2.383 240 V HA 0.470 4.590 4.120 -0.000 0.000 0.275 240 V C 0.083 176.036 176.094 -0.236 0.000 1.036 240 V CA -0.251 61.923 62.300 -0.210 0.000 0.889 240 V CB 1.299 33.009 31.823 -0.188 0.000 0.985 240 V HN 0.968 nan 8.190 nan 0.000 0.459 241 E N 2.788 122.883 120.200 -0.176 0.000 2.367 241 E HA 0.346 4.696 4.350 -0.000 0.000 0.273 241 E C -0.828 175.705 176.600 -0.112 0.000 0.903 241 E CA -0.759 55.536 56.400 -0.175 0.000 0.764 241 E CB 1.897 31.507 29.700 -0.150 0.000 1.252 241 E HN 0.675 nan 8.360 nan 0.000 0.446 242 E N 3.236 123.368 120.200 -0.112 0.000 2.384 242 E HA -0.029 4.321 4.350 -0.000 0.000 0.266 242 E C 0.803 177.404 176.600 0.001 0.000 1.012 242 E CA -0.085 56.286 56.400 -0.048 0.000 0.901 242 E CB 1.130 30.806 29.700 -0.039 0.000 0.967 242 E HN 0.601 nan 8.360 nan 0.000 0.435 243 L N 5.518 126.740 121.223 -0.003 0.000 1.971 243 L HA -0.235 4.105 4.340 -0.000 0.000 0.215 243 L C 1.923 178.805 176.870 0.019 0.000 1.072 243 L CA 1.972 56.813 54.840 0.002 0.000 0.758 243 L CB -0.451 41.604 42.059 -0.007 0.000 0.889 243 L HN 0.556 nan 8.230 nan 0.000 0.433 244 E N -0.968 119.248 120.200 0.027 0.000 2.085 244 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 244 E C 2.245 178.869 176.600 0.040 0.000 0.994 244 E CA 1.461 57.876 56.400 0.025 0.000 0.801 244 E CB -0.751 28.963 29.700 0.023 0.000 0.743 244 E HN 0.676 nan 8.360 nan 0.000 0.453 245 H N 0.635 119.688 119.070 -0.027 0.000 2.353 245 H HA -0.018 4.538 4.556 -0.000 0.000 0.300 245 H C 1.824 177.134 175.328 -0.030 0.000 1.090 245 H CA 1.742 57.774 56.048 -0.027 0.000 1.327 245 H CB 0.131 29.873 29.762 -0.033 0.000 1.383 245 H HN 0.115 nan 8.280 nan 0.000 0.508 246 A N 1.311 124.223 122.820 0.154 0.000 1.855 246 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 246 A C 2.948 180.535 177.584 0.005 0.000 1.191 246 A CA 1.238 53.323 52.037 0.080 0.000 0.613 246 A CB -0.919 18.101 19.000 0.033 0.000 0.829 246 A HN 0.410 nan 8.150 nan 0.000 0.442 247 L N -0.660 120.558 121.223 -0.008 0.000 2.012 247 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 247 L C 3.077 179.924 176.870 -0.038 0.000 1.073 247 L CA 1.150 55.976 54.840 -0.023 0.000 0.748 247 L CB -0.628 41.419 42.059 -0.020 0.000 0.891 247 L HN 0.448 nan 8.230 nan 0.000 0.431 248 A N 0.825 123.609 122.820 -0.059 0.000 2.024 248 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 248 A C 2.174 179.701 177.584 -0.096 0.000 1.164 248 A CA 1.839 53.825 52.037 -0.085 0.000 0.643 248 A CB -0.566 18.360 19.000 -0.124 0.000 0.806 248 A HN 0.617 nan 8.150 nan 0.000 0.451 249 R N -1.568 118.873 120.500 -0.098 0.000 2.468 249 R HA 0.375 4.715 4.340 -0.000 0.000 0.280 249 R C 0.916 177.197 176.300 -0.031 0.000 0.963 249 R CA 0.586 56.642 56.100 -0.074 0.000 1.083 249 R CB -0.635 29.614 30.300 -0.085 0.000 1.200 249 R HN 0.703 nan 8.270 nan 0.000 0.541 250 G N 0.796 109.580 108.800 -0.027 0.000 2.221 250 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.265 250 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.265 250 G C 0.300 175.200 174.900 0.000 0.000 1.041 250 G CA 0.217 45.309 45.100 -0.013 0.000 0.807 250 G HN 0.714 nan 8.290 nan 0.000 0.502 251 A N -0.423 122.398 122.820 0.001 0.000 2.366 251 A HA 0.594 4.914 4.320 -0.000 0.000 0.249 251 A C 0.386 177.977 177.584 0.011 0.000 1.084 251 A CA 0.335 52.381 52.037 0.015 0.000 0.794 251 A CB 0.322 19.330 19.000 0.013 0.000 1.034 251 A HN 1.400 nan 8.150 nan 0.000 0.491 252 H N 0.900 119.918 119.070 -0.085 0.000 2.620 252 H HA 0.528 5.084 4.556 -0.000 0.000 0.313 252 H C -0.719 174.498 175.328 -0.186 0.000 1.075 252 H CA -0.380 55.572 56.048 -0.159 0.000 1.397 252 H CB 0.151 29.777 29.762 -0.227 0.000 1.446 252 H HN 0.423 nan 8.280 nan 0.000 0.493 253 I N 6.905 127.078 120.570 -0.661 0.000 2.339 253 I HA 0.029 4.199 4.170 -0.000 0.000 0.290 253 I C 0.040 175.750 176.117 -0.678 0.000 0.994 253 I CA -0.492 60.509 61.300 -0.498 0.000 1.191 253 I CB 1.018 38.881 38.000 -0.228 0.000 1.343 253 I HN 0.754 nan 8.210 nan 0.000 0.458 254 Y N 5.047 125.102 120.300 -0.409 0.000 2.243 254 Y HA 0.260 4.810 4.550 -0.000 0.000 0.293 254 Y C 1.205 177.014 175.900 -0.151 0.000 1.124 254 Y CA 0.861 58.811 58.100 -0.250 0.000 1.159 254 Y CB 0.200 38.588 38.460 -0.121 0.000 1.008 254 Y HN 0.675 nan 8.280 nan 0.000 0.527 255 A N -0.760 122.085 122.820 0.042 0.000 2.544 255 A HA 0.395 4.715 4.320 -0.000 0.000 0.291 255 A C -1.507 176.070 177.584 -0.011 0.000 1.055 255 A CA -0.851 51.190 52.037 0.007 0.000 0.651 255 A CB 0.623 19.638 19.000 0.025 0.000 1.296 255 A HN 0.061 nan 8.150 nan 0.000 0.431 256 E N 0.503 120.695 120.200 -0.013 0.000 2.204 256 E HA 0.617 4.967 4.350 -0.000 0.000 0.276 256 E C -1.124 175.471 176.600 -0.009 0.000 0.974 256 E CA -0.621 55.769 56.400 -0.016 0.000 0.815 256 E CB 0.907 30.599 29.700 -0.014 0.000 1.119 256 E HN 0.493 nan 8.360 nan 0.000 0.393 257 I N 5.730 126.292 120.570 -0.014 0.000 2.308 257 I HA 0.042 4.212 4.170 -0.000 0.000 0.293 257 I C 1.032 177.158 176.117 0.014 0.000 1.078 257 I CA -0.326 60.971 61.300 -0.005 0.000 1.292 257 I CB 0.893 38.877 38.000 -0.026 0.000 1.423 257 I HN 0.490 nan 8.210 nan 0.000 0.493 258 V N 2.572 122.502 119.914 0.026 0.000 3.647 258 V HA 0.517 4.637 4.120 -0.000 0.000 0.279 258 V C 0.689 176.817 176.094 0.057 0.000 1.314 258 V CA 0.130 62.450 62.300 0.034 0.000 1.125 258 V CB -0.098 31.739 31.823 0.024 0.000 0.907 258 V HN 0.732 nan 8.190 nan 0.000 0.434 259 G N -0.446 108.401 108.800 0.079 0.000 2.755 259 G HA2 0.526 4.486 3.960 -0.000 0.000 0.297 259 G HA3 0.526 4.486 3.960 -0.000 0.000 0.297 259 G C -2.321 172.688 174.900 0.182 0.000 1.441 259 G CA -0.546 44.621 45.100 0.111 0.000 0.964 259 G HN 0.353 nan 8.290 nan 0.000 0.540 260 Y N 1.263 121.582 120.300 0.031 0.000 2.330 260 Y HA 0.688 5.238 4.550 -0.000 0.000 0.324 260 Y C -0.178 175.748 175.900 0.043 0.000 1.093 260 Y CA -1.121 56.997 58.100 0.030 0.000 1.103 260 Y CB 1.816 40.294 38.460 0.030 0.000 1.183 260 Y HN 0.858 nan 8.280 nan 0.000 0.433 261 G N 3.169 111.818 108.800 -0.252 0.000 2.461 261 G HA2 0.742 4.702 3.960 -0.000 0.000 0.323 261 G HA3 0.742 4.702 3.960 -0.000 0.000 0.323 261 G C -1.699 172.965 174.900 -0.393 0.000 1.229 261 G CA -0.635 44.267 45.100 -0.329 0.000 0.941 261 G HN 1.124 nan 8.290 nan 0.000 0.477 262 A N 1.704 124.320 122.820 -0.340 0.000 2.446 262 A HA 0.853 5.173 4.320 -0.000 0.000 0.282 262 A C 0.036 177.602 177.584 -0.030 0.000 1.102 262 A CA -0.121 51.867 52.037 -0.082 0.000 0.737 262 A CB 1.193 20.133 19.000 -0.100 0.000 1.212 262 A HN 1.492 nan 8.150 nan 0.000 0.434 263 T N -1.432 113.150 114.554 0.046 0.000 2.804 263 T HA 0.861 5.211 4.350 -0.000 0.000 0.290 263 T C -0.258 174.466 174.700 0.039 0.000 1.099 263 T CA -0.545 61.564 62.100 0.014 0.000 1.011 263 T CB 1.758 70.622 68.868 -0.007 0.000 1.291 263 T HN 1.251 nan 8.240 nan 0.000 0.523 264 S N -1.040 114.665 115.700 0.009 0.000 2.541 264 S HA 0.462 4.932 4.470 -0.000 0.000 0.280 264 S C -0.226 174.368 174.600 -0.009 0.000 1.112 264 S CA -0.612 57.595 58.200 0.013 0.000 0.925 264 S CB 1.635 64.838 63.200 0.006 0.000 1.067 264 S HN 0.699 nan 8.310 nan 0.000 0.479 265 D N 2.659 123.053 120.400 -0.010 0.000 2.137 265 D HA 0.153 4.793 4.640 -0.000 0.000 0.202 265 D C 1.452 177.740 176.300 -0.019 0.000 0.970 265 D CA 1.514 55.497 54.000 -0.028 0.000 0.837 265 D CB -0.509 40.271 40.800 -0.033 0.000 0.981 265 D HN 1.047 nan 8.370 nan 0.000 0.475 266 G N 0.153 108.948 108.800 -0.008 0.000 2.295 266 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.287 266 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.287 266 G C 0.611 175.505 174.900 -0.010 0.000 1.055 266 G CA 0.907 46.002 45.100 -0.007 0.000 0.922 266 G HN 0.627 nan 8.290 nan 0.000 0.503 267 A N -0.878 121.936 122.820 -0.010 0.000 1.795 267 A HA 0.687 5.007 4.320 -0.000 0.000 0.182 267 A C 0.406 177.983 177.584 -0.012 0.000 2.073 267 A CA 1.065 53.094 52.037 -0.013 0.000 1.402 267 A CB 0.276 19.264 19.000 -0.020 0.000 0.977 267 A HN 0.527 nan 8.150 nan 0.000 0.648 268 D N -1.427 118.965 120.400 -0.013 0.000 2.181 268 D HA 0.490 5.130 4.640 -0.000 0.000 0.248 268 D C 0.732 177.021 176.300 -0.020 0.000 1.020 268 D CA -0.465 53.524 54.000 -0.019 0.000 0.891 268 D CB 1.432 42.218 40.800 -0.024 0.000 1.187 268 D HN 0.157 nan 8.370 nan 0.000 0.443 269 M N 2.404 121.981 119.600 -0.038 0.000 2.229 269 M HA 0.025 4.505 4.480 -0.000 0.000 0.264 269 M C 0.721 176.942 176.300 -0.132 0.000 1.063 269 M CA 1.497 56.768 55.300 -0.048 0.000 1.114 269 M CB 0.217 32.785 32.600 -0.053 0.000 1.387 269 M HN 0.440 nan 8.290 nan 0.000 0.420 270 V N -1.579 118.202 119.914 -0.222 0.000 3.219 270 V HA 0.415 4.535 4.120 -0.000 0.000 0.240 270 V C 0.685 176.667 176.094 -0.186 0.000 1.222 270 V CA 0.400 62.401 62.300 -0.498 0.000 1.181 270 V CB -0.059 31.415 31.823 -0.581 0.000 0.941 270 V HN 0.314 nan 8.190 nan 0.000 0.471 271 A N 2.426 125.210 122.820 -0.060 0.000 2.306 271 A HA 0.730 5.050 4.320 -0.000 0.000 0.314 271 A C -2.560 175.042 177.584 0.031 0.000 1.164 271 A CA -1.511 50.542 52.037 0.028 0.000 0.822 271 A CB 0.302 19.313 19.000 0.019 0.000 1.130 271 A HN 0.210 nan 8.150 nan 0.000 0.496 272 P HA 0.119 nan 4.420 nan 0.000 0.275 272 P C 0.615 177.880 177.300 -0.058 0.000 1.228 272 P CA -0.035 63.043 63.100 -0.037 0.000 0.786 272 P CB 1.476 33.123 31.700 -0.090 0.000 0.927 273 S N 1.392 117.040 115.700 -0.087 0.000 2.470 273 S HA 0.136 4.606 4.470 -0.000 0.000 0.225 273 S C 1.621 176.170 174.600 -0.084 0.000 1.006 273 S CA 0.955 59.114 58.200 -0.069 0.000 0.934 273 S CB -1.005 62.158 63.200 -0.061 0.000 0.778 273 S HN 0.740 nan 8.310 nan 0.000 0.517 274 G N 1.693 110.407 108.800 -0.143 0.000 2.579 274 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.222 274 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.222 274 G C 0.918 175.743 174.900 -0.125 0.000 1.201 274 G CA 0.514 45.532 45.100 -0.136 0.000 0.710 274 G HN 0.456 nan 8.290 nan 0.000 0.516 275 E N 1.666 121.810 120.200 -0.094 0.000 2.077 275 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 275 E C 2.656 179.202 176.600 -0.089 0.000 0.989 275 E CA 2.174 58.529 56.400 -0.075 0.000 0.800 275 E CB -0.902 28.764 29.700 -0.057 0.000 0.746 275 E HN 0.624 nan 8.360 nan 0.000 0.452 276 G N 0.776 109.509 108.800 -0.112 0.000 2.422 276 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 276 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 276 G C 1.714 176.538 174.900 -0.126 0.000 1.146 276 G CA 1.307 46.343 45.100 -0.107 0.000 0.769 276 G HN 0.424 nan 8.290 nan 0.000 0.547 277 A N 0.075 122.752 122.820 -0.238 0.000 1.930 277 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 277 A C 2.604 180.163 177.584 -0.043 0.000 1.175 277 A CA 1.694 53.594 52.037 -0.229 0.000 0.627 277 A CB -0.570 18.124 19.000 -0.509 0.000 0.815 277 A HN 0.239 nan 8.150 nan 0.000 0.443 278 V N 0.131 120.007 119.914 -0.064 0.000 2.255 278 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 278 V C 2.654 178.722 176.094 -0.043 0.000 1.051 278 V CA 2.365 64.638 62.300 -0.044 0.000 1.018 278 V CB -0.812 30.979 31.823 -0.054 0.000 0.641 278 V HN 0.539 nan 8.190 nan 0.000 0.445 279 R N -1.050 119.421 120.500 -0.047 0.000 2.105 279 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 279 R C 2.397 178.678 176.300 -0.033 0.000 1.135 279 R CA 1.779 57.852 56.100 -0.046 0.000 0.967 279 R CB -0.924 29.347 30.300 -0.048 0.000 0.861 279 R HN 0.581 nan 8.270 nan 0.000 0.442 280 C N 0.597 119.893 119.300 -0.007 0.000 2.446 280 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 280 C C 2.605 177.612 174.990 0.030 0.000 1.275 280 C CA 0.747 59.778 59.018 0.021 0.000 1.727 280 C CB -0.643 27.156 27.740 0.098 0.000 2.010 280 C HN 0.456 nan 8.230 nan 0.000 0.486 281 M N 0.118 119.747 119.600 0.049 0.000 2.132 281 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 281 M C 2.297 178.591 176.300 -0.010 0.000 1.065 281 M CA 1.708 57.034 55.300 0.044 0.000 1.122 281 M CB -0.476 32.161 32.600 0.061 0.000 1.365 281 M HN 0.356 nan 8.290 nan 0.000 0.411 282 K N 0.091 120.464 120.400 -0.045 0.000 2.097 282 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 282 K C 1.992 178.586 176.600 -0.010 0.000 1.049 282 K CA 1.408 57.664 56.287 -0.052 0.000 0.933 282 K CB -0.249 32.213 32.500 -0.064 0.000 0.717 282 K HN 0.368 nan 8.250 nan 0.000 0.442 283 M N 0.507 120.093 119.600 -0.024 0.000 2.117 283 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 283 M C 2.078 178.388 176.300 0.016 0.000 1.065 283 M CA 1.677 56.959 55.300 -0.030 0.000 1.114 283 M CB -0.067 32.489 32.600 -0.074 0.000 1.361 283 M HN 0.154 nan 8.290 nan 0.000 0.408 284 A N 0.054 122.884 122.820 0.017 0.000 2.066 284 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 284 A C 1.899 179.525 177.584 0.070 0.000 1.157 284 A CA 1.273 53.340 52.037 0.050 0.000 0.670 284 A CB -0.562 18.473 19.000 0.058 0.000 0.804 284 A HN 0.644 nan 8.150 nan 0.000 0.453 285 M N -1.101 118.535 119.600 0.061 0.000 2.541 285 M HA 0.048 4.528 4.480 -0.000 0.000 0.252 285 M C 0.696 177.033 176.300 0.063 0.000 1.125 285 M CA 0.097 55.430 55.300 0.055 0.000 1.091 285 M CB -0.091 32.521 32.600 0.020 0.000 1.420 285 M HN 0.452 nan 8.290 nan 0.000 0.486 286 H N 0.869 119.933 119.070 -0.011 0.000 3.107 286 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 286 H C 1.039 176.368 175.328 0.000 0.000 0.981 286 H CA 1.727 57.769 56.048 -0.011 0.000 1.443 286 H CB 0.474 30.226 29.762 -0.016 0.000 1.479 286 H HN 0.579 nan 8.280 nan 0.000 0.564 287 G N 3.908 112.455 108.800 -0.422 0.000 2.225 287 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 287 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 287 G C 0.211 175.044 174.900 -0.113 0.000 0.988 287 G CA 0.225 45.156 45.100 -0.282 0.000 0.625 287 G HN 0.615 nan 8.290 nan 0.000 0.527 288 V N 2.807 122.684 119.914 -0.062 0.000 2.405 288 V HA 0.358 4.478 4.120 -0.000 0.000 0.264 288 V C 1.071 177.154 176.094 -0.019 0.000 1.048 288 V CA 0.494 62.784 62.300 -0.018 0.000 0.966 288 V CB 1.239 33.072 31.823 0.016 0.000 1.015 288 V HN 0.492 nan 8.190 nan 0.000 0.477 289 D N 2.290 122.679 120.400 -0.018 0.000 2.319 289 D HA 0.011 4.651 4.640 -0.000 0.000 0.230 289 D C 0.714 177.016 176.300 0.003 0.000 1.094 289 D CA 0.023 54.015 54.000 -0.013 0.000 0.856 289 D CB -0.062 40.726 40.800 -0.019 0.000 0.915 289 D HN 0.591 nan 8.370 nan 0.000 0.517 290 T N -2.697 111.865 114.554 0.015 0.000 2.924 290 T HA 0.614 4.964 4.350 -0.000 0.000 0.291 290 T C -2.748 171.978 174.700 0.043 0.000 1.045 290 T CA -1.805 60.309 62.100 0.024 0.000 1.015 290 T CB 2.257 71.138 68.868 0.021 0.000 1.103 290 T HN -0.162 nan 8.240 nan 0.000 0.496 291 P HA 0.359 nan 4.420 nan 0.000 0.276 291 P C -0.523 176.821 177.300 0.073 0.000 1.244 291 P CA -0.692 62.453 63.100 0.076 0.000 0.801 291 P CB 0.601 32.338 31.700 0.061 0.000 1.006 292 I N 2.947 123.579 120.570 0.103 0.000 2.379 292 I HA 0.014 4.184 4.170 -0.000 0.000 0.290 292 I C 1.307 177.411 176.117 -0.022 0.000 1.063 292 I CA 0.346 61.676 61.300 0.050 0.000 1.351 292 I CB 0.033 38.076 38.000 0.071 0.000 1.410 292 I HN 0.322 nan 8.210 nan 0.000 0.505 293 D N 5.086 125.491 120.400 0.009 0.000 2.183 293 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 293 D C 0.078 176.414 176.300 0.059 0.000 0.962 293 D CA 1.412 55.425 54.000 0.021 0.000 0.849 293 D CB 0.388 41.213 40.800 0.041 0.000 0.978 293 D HN 0.523 nan 8.370 nan 0.000 0.488 294 Y N 0.227 120.474 120.300 -0.089 0.000 2.504 294 Y HA 0.473 5.022 4.550 -0.000 0.000 0.344 294 Y C -1.974 173.870 175.900 -0.092 0.000 1.023 294 Y CA -1.151 56.890 58.100 -0.098 0.000 1.020 294 Y CB 1.451 39.858 38.460 -0.089 0.000 1.282 294 Y HN -0.233 nan 8.280 nan 0.000 0.454 295 L N 7.152 127.766 121.223 -1.014 0.000 2.372 295 L HA 0.484 4.824 4.340 -0.000 0.000 0.274 295 L C -1.200 175.061 176.870 -1.014 0.000 0.988 295 L CA -0.532 53.834 54.840 -0.790 0.000 0.833 295 L CB 0.935 42.741 42.059 -0.421 0.000 1.236 295 L HN 0.804 nan 8.230 nan 0.000 0.410 296 N N 3.655 121.914 118.700 -0.736 0.000 2.469 296 N HA 0.125 4.865 4.740 -0.000 0.000 0.239 296 N C -0.369 175.041 175.510 -0.167 0.000 1.053 296 N CA -0.198 52.656 53.050 -0.326 0.000 0.937 296 N CB 1.064 39.533 38.487 -0.030 0.000 1.163 296 N HN 0.721 nan 8.380 nan 0.000 0.509 297 S N 2.696 118.342 115.700 -0.090 0.000 2.600 297 S HA 0.010 4.480 4.470 -0.000 0.000 0.265 297 S C 1.309 175.882 174.600 -0.044 0.000 1.325 297 S CA -0.253 57.939 58.200 -0.013 0.000 1.002 297 S CB 1.221 64.501 63.200 0.135 0.000 0.921 297 S HN 0.744 nan 8.310 nan 0.000 0.554 298 H N 2.118 121.090 119.070 -0.163 0.000 2.357 298 H HA 0.139 4.695 4.556 0.000 0.000 0.301 298 H C 1.528 176.749 175.328 -0.178 0.000 1.082 298 H CA 1.286 57.187 56.048 -0.246 0.000 1.342 298 H CB -1.098 28.476 29.762 -0.314 0.000 1.389 298 H HN 1.046 nan 8.280 nan 0.000 0.511 299 G N 0.869 109.587 108.800 -0.138 0.000 2.394 299 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 299 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 299 G C 1.000 175.649 174.900 -0.418 0.000 0.282 299 G CA 1.011 45.949 45.100 -0.269 0.000 1.090 299 G HN 0.783 nan 8.290 nan 0.000 0.486 300 T N -1.097 113.206 114.554 -0.419 0.000 3.129 300 T HA 0.372 4.722 4.350 -0.000 0.000 0.251 300 T C 1.325 175.965 174.700 -0.100 0.000 1.117 300 T CA 0.997 62.878 62.100 -0.366 0.000 1.034 300 T CB 0.277 68.903 68.868 -0.403 0.000 0.968 300 T HN 1.840 nan 8.240 nan 0.000 0.526 301 S N 0.800 116.430 115.700 -0.117 0.000 3.807 301 S HA -0.131 4.339 4.470 -0.000 0.000 0.304 301 S C 0.189 174.824 174.600 0.058 0.000 1.152 301 S CA 0.586 58.755 58.200 -0.053 0.000 0.852 301 S CB -2.148 61.032 63.200 -0.033 0.000 0.924 301 S HN 1.268 nan 8.310 nan 0.000 0.545 302 T N -1.187 113.420 114.554 0.090 0.000 2.888 302 T HA 0.703 5.053 4.350 -0.000 0.000 0.284 302 T C -1.488 173.281 174.700 0.114 0.000 1.017 302 T CA -1.644 60.542 62.100 0.144 0.000 1.022 302 T CB 1.740 70.743 68.868 0.224 0.000 1.013 302 T HN -0.062 nan 8.240 nan 0.000 0.465 303 P HA -0.144 nan 4.420 nan 0.000 0.214 303 P C 1.701 179.057 177.300 0.093 0.000 1.169 303 P CA 0.774 63.927 63.100 0.088 0.000 0.908 303 P CB -0.057 31.689 31.700 0.077 0.000 0.791 304 V N -0.422 119.553 119.914 0.100 0.000 2.283 304 V HA -0.121 3.999 4.120 -0.000 0.000 0.243 304 V C 2.600 178.765 176.094 0.118 0.000 1.039 304 V CA 2.448 64.805 62.300 0.096 0.000 1.016 304 V CB -1.976 29.898 31.823 0.086 0.000 0.650 304 V HN 0.185 nan 8.190 nan 0.000 0.449 305 G N 0.039 108.931 108.800 0.153 0.000 2.491 305 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 305 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 305 G C 1.197 176.214 174.900 0.195 0.000 1.180 305 G CA 1.386 46.602 45.100 0.193 0.000 0.774 305 G HN 0.502 nan 8.290 nan 0.000 0.562 306 D N 0.024 120.525 120.400 0.167 0.000 2.116 306 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 306 D C 2.889 179.348 176.300 0.264 0.000 0.998 306 D CA 1.901 56.026 54.000 0.208 0.000 0.836 306 D CB -0.570 40.321 40.800 0.151 0.000 0.951 306 D HN 0.378 nan 8.370 nan 0.000 0.449 307 V N -1.520 118.502 119.914 0.181 0.000 2.719 307 V HA -0.031 4.089 4.120 -0.000 0.000 0.252 307 V C 1.926 178.082 176.094 0.103 0.000 1.065 307 V CA 0.897 63.278 62.300 0.134 0.000 1.086 307 V CB -0.330 31.548 31.823 0.092 0.000 0.700 307 V HN -0.057 nan 8.190 nan 0.000 0.467 308 K N 1.032 121.492 120.400 0.099 0.000 2.057 308 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 308 K C 2.174 178.812 176.600 0.063 0.000 1.049 308 K CA 2.015 58.337 56.287 0.058 0.000 0.931 308 K CB -0.314 32.209 32.500 0.037 0.000 0.714 308 K HN 0.766 nan 8.250 nan 0.000 0.440 309 E N 0.954 121.235 120.200 0.135 0.000 2.106 309 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 309 E C 2.112 178.810 176.600 0.163 0.000 0.984 309 E CA 0.499 57.014 56.400 0.193 0.000 0.806 309 E CB 0.045 29.968 29.700 0.371 0.000 0.750 309 E HN 0.157 nan 8.360 nan 0.000 0.458 310 L N 0.421 121.728 121.223 0.141 0.000 2.046 310 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 310 L C 2.673 179.575 176.870 0.053 0.000 1.077 310 L CA 1.059 55.939 54.840 0.066 0.000 0.747 310 L CB -0.481 41.584 42.059 0.011 0.000 0.896 310 L HN 0.244 nan 8.230 nan 0.000 0.432 311 A N -0.067 122.783 122.820 0.051 0.000 1.933 311 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 311 A C 2.511 180.116 177.584 0.036 0.000 1.175 311 A CA 1.654 53.711 52.037 0.034 0.000 0.628 311 A CB -0.578 18.436 19.000 0.023 0.000 0.814 311 A HN 0.410 nan 8.150 nan 0.000 0.444 312 A N -0.047 122.798 122.820 0.040 0.000 1.898 312 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 312 A C 2.111 179.742 177.584 0.078 0.000 1.181 312 A CA 1.422 53.479 52.037 0.033 0.000 0.620 312 A CB -0.577 18.431 19.000 0.013 0.000 0.819 312 A HN 0.483 nan 8.150 nan 0.000 0.442 313 I N -1.029 119.622 120.570 0.135 0.000 2.163 313 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 313 I C 2.749 179.007 176.117 0.235 0.000 1.085 313 I CA 1.690 63.133 61.300 0.239 0.000 1.347 313 I CB -0.315 37.795 38.000 0.183 0.000 1.044 313 I HN 0.353 nan 8.210 nan 0.000 0.408 314 R N 0.641 121.215 120.500 0.124 0.000 2.096 314 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 314 R C 2.256 178.596 176.300 0.068 0.000 1.127 314 R CA 1.342 57.497 56.100 0.093 0.000 0.968 314 R CB -0.054 30.273 30.300 0.046 0.000 0.861 314 R HN 0.268 nan 8.270 nan 0.000 0.440 315 E N 0.007 120.229 120.200 0.037 0.000 2.110 315 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 315 E C 1.958 178.532 176.600 -0.043 0.000 0.988 315 E CA 1.162 57.561 56.400 -0.002 0.000 0.804 315 E CB 0.022 29.714 29.700 -0.014 0.000 0.745 315 E HN 0.185 nan 8.360 nan 0.000 0.458 316 V N -0.162 119.705 119.914 -0.079 0.000 2.346 316 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 316 V C 1.855 177.704 176.094 -0.408 0.000 1.037 316 V CA 1.496 63.619 62.300 -0.294 0.000 1.029 316 V CB -0.413 31.124 31.823 -0.477 0.000 0.663 316 V HN 0.140 nan 8.190 nan 0.000 0.454 317 F N -0.292 119.657 119.950 -0.000 0.000 2.717 317 F HA 0.514 5.041 4.527 0.000 0.000 0.295 317 F C 1.813 177.611 175.800 -0.004 0.000 1.117 317 F CA 0.627 58.625 58.000 -0.003 0.000 1.361 317 F CB -0.334 38.662 39.000 -0.006 0.000 1.112 317 F HN 0.269 nan 8.300 nan 0.000 0.594 318 G N 0.998 109.884 108.800 0.144 0.000 2.591 318 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.298 318 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.298 318 G C 0.696 175.645 174.900 0.082 0.000 1.195 318 G CA 0.669 45.819 45.100 0.083 0.000 0.989 318 G HN 0.241 nan 8.290 nan 0.000 0.551 319 D N 0.886 121.322 120.400 0.060 0.000 2.349 319 D HA 0.070 4.710 4.640 -0.000 0.000 0.215 319 D C 1.449 177.776 176.300 0.045 0.000 1.016 319 D CA 0.506 54.531 54.000 0.042 0.000 0.870 319 D CB 0.205 41.021 40.800 0.027 0.000 0.917 319 D HN 0.278 nan 8.370 nan 0.000 0.524 320 K N 2.054 122.499 120.400 0.075 0.000 3.000 320 K HA 0.086 4.406 4.320 -0.000 0.000 0.239 320 K C -0.254 176.391 176.600 0.075 0.000 1.269 320 K CA -0.170 56.160 56.287 0.070 0.000 1.220 320 K CB -0.037 32.514 32.500 0.085 0.000 1.645 320 K HN -0.027 nan 8.250 nan 0.000 0.423 321 S N 1.137 116.842 115.700 0.009 0.000 2.592 321 S HA 0.469 4.939 4.470 -0.000 0.000 0.271 321 S C -1.999 172.447 174.600 -0.257 0.000 1.326 321 S CA -0.977 57.133 58.200 -0.150 0.000 1.024 321 S CB 0.993 64.128 63.200 -0.108 0.000 0.921 321 S HN 0.257 nan 8.310 nan 0.000 0.527 322 P HA 0.353 nan 4.420 nan 0.000 0.277 322 P C -0.581 176.602 177.300 -0.195 0.000 1.271 322 P CA -0.608 62.300 63.100 -0.321 0.000 0.795 322 P CB 0.437 31.865 31.700 -0.452 0.000 1.101 323 A N 0.949 123.726 122.820 -0.071 0.000 2.477 323 A HA 0.396 4.716 4.320 -0.000 0.000 0.246 323 A C 0.312 177.906 177.584 0.016 0.000 1.078 323 A CA 0.049 52.102 52.037 0.026 0.000 0.770 323 A CB -0.831 18.245 19.000 0.127 0.000 1.011 323 A HN 0.441 nan 8.150 nan 0.000 0.494 324 I N 1.613 122.191 120.570 0.013 0.000 2.608 324 I HA 0.564 4.734 4.170 -0.000 0.000 0.295 324 I C 0.035 176.233 176.117 0.135 0.000 1.049 324 I CA -0.280 61.003 61.300 -0.028 0.000 1.063 324 I CB 2.526 40.468 38.000 -0.097 0.000 1.248 324 I HN 0.765 nan 8.210 nan 0.000 0.424 325 S N 3.618 119.434 115.700 0.193 0.000 2.535 325 S HA 0.800 5.270 4.470 -0.000 0.000 0.272 325 S C -1.088 173.629 174.600 0.195 0.000 1.149 325 S CA -0.789 57.560 58.200 0.249 0.000 0.888 325 S CB 1.868 65.232 63.200 0.275 0.000 1.110 325 S HN 0.807 nan 8.310 nan 0.000 0.463 326 A N 2.428 125.336 122.820 0.146 0.000 2.341 326 A HA 0.596 4.916 4.320 -0.000 0.000 0.326 326 A C 1.199 178.769 177.584 -0.023 0.000 1.402 326 A CA -0.192 51.848 52.037 0.005 0.000 0.957 326 A CB -0.185 18.701 19.000 -0.190 0.000 1.151 326 A HN 1.399 nan 8.150 nan 0.000 0.533 327 T N -0.046 114.508 114.554 -0.001 0.000 3.051 327 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 327 T C 1.307 175.961 174.700 -0.076 0.000 1.127 327 T CA 1.157 63.228 62.100 -0.047 0.000 1.107 327 T CB -0.272 68.562 68.868 -0.057 0.000 0.898 327 T HN 0.625 nan 8.240 nan 0.000 0.517 328 K N 1.005 121.352 120.400 -0.088 0.000 2.362 328 K HA 0.184 4.504 4.320 -0.000 0.000 0.200 328 K C 2.566 179.115 176.600 -0.085 0.000 1.046 328 K CA 0.798 57.023 56.287 -0.102 0.000 0.952 328 K CB -0.294 32.086 32.500 -0.200 0.000 0.753 328 K HN 0.495 nan 8.250 nan 0.000 0.466 329 A N 0.925 123.688 122.820 -0.096 0.000 1.969 329 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 329 A C 2.006 179.556 177.584 -0.057 0.000 1.169 329 A CA 1.279 53.268 52.037 -0.080 0.000 0.635 329 A CB -0.212 18.741 19.000 -0.078 0.000 0.810 329 A HN 0.180 nan 8.150 nan 0.000 0.445 330 M N -1.133 118.428 119.600 -0.065 0.000 2.299 330 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 330 M C 2.372 178.641 176.300 -0.053 0.000 1.095 330 M CA 1.738 56.999 55.300 -0.066 0.000 1.165 330 M CB -0.139 32.398 32.600 -0.105 0.000 1.349 330 M HN 0.605 nan 8.290 nan 0.000 0.446 331 T N -2.304 112.214 114.554 -0.059 0.000 3.051 331 T HA 0.410 4.760 4.350 -0.000 0.000 0.255 331 T C 1.027 175.739 174.700 0.021 0.000 1.085 331 T CA 0.488 62.577 62.100 -0.020 0.000 1.109 331 T CB -0.053 68.820 68.868 0.010 0.000 0.921 331 T HN 0.561 nan 8.240 nan 0.000 0.488 332 G N 0.982 109.798 108.800 0.026 0.000 2.710 332 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.668 332 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.668 332 G C -0.961 173.988 174.900 0.082 0.000 1.320 332 G CA -0.383 44.763 45.100 0.077 0.000 0.860 332 G HN 0.798 nan 8.290 nan 0.000 0.538 333 H N 0.721 119.778 119.070 -0.022 0.000 2.641 333 H HA 0.603 5.159 4.556 -0.000 0.000 0.295 333 H C 1.590 176.828 175.328 -0.150 0.000 1.070 333 H CA -0.057 55.885 56.048 -0.176 0.000 1.257 333 H CB 0.690 30.178 29.762 -0.456 0.000 1.393 333 H HN 0.859 nan 8.280 nan 0.000 0.464 334 S N 4.900 120.678 115.700 0.128 0.000 2.710 334 S HA 0.118 4.588 4.470 -0.000 0.000 0.224 334 S C 1.324 175.877 174.600 -0.078 0.000 0.948 334 S CA 0.010 58.206 58.200 -0.006 0.000 0.949 334 S CB -0.655 62.542 63.200 -0.005 0.000 0.778 334 S HN 0.719 nan 8.310 nan 0.000 0.498 335 L N -0.038 121.036 121.223 -0.247 0.000 4.990 335 L HA -0.357 3.983 4.340 -0.000 0.000 0.053 335 L C 2.280 179.105 176.870 -0.075 0.000 3.174 335 L CA 1.514 56.148 54.840 -0.344 0.000 1.483 335 L CB -2.085 39.764 42.059 -0.350 0.000 2.968 335 L HN 0.433 nan 8.230 nan 0.000 0.908 336 G N -1.097 107.673 108.800 -0.050 0.000 2.470 336 G HA2 0.052 4.012 3.960 -0.000 0.000 0.220 336 G HA3 0.052 4.012 3.960 -0.000 0.000 0.220 336 G C 1.243 176.143 174.900 0.001 0.000 1.121 336 G CA 1.222 46.321 45.100 -0.001 0.000 0.766 336 G HN 0.855 nan 8.290 nan 0.000 0.553 337 A N 0.232 123.047 122.820 -0.008 0.000 2.238 337 A HA 0.670 4.990 4.320 -0.000 0.000 0.210 337 A C 2.504 180.059 177.584 -0.049 0.000 1.179 337 A CA 1.226 53.249 52.037 -0.022 0.000 0.827 337 A CB -0.170 18.820 19.000 -0.016 0.000 0.856 337 A HN 0.502 nan 8.150 nan 0.000 0.488 338 A N 0.195 123.003 122.820 -0.020 0.000 1.883 338 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 338 A C 2.344 179.875 177.584 -0.088 0.000 1.186 338 A CA 1.946 53.965 52.037 -0.029 0.000 0.624 338 A CB -1.319 17.704 19.000 0.039 0.000 0.822 338 A HN 0.684 nan 8.150 nan 0.000 0.444 339 G N -0.855 107.897 108.800 -0.079 0.000 2.491 339 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 339 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 339 G C 1.667 176.482 174.900 -0.141 0.000 1.180 339 G CA 1.418 46.451 45.100 -0.111 0.000 0.774 339 G HN 0.626 nan 8.290 nan 0.000 0.562 340 V N 0.152 119.984 119.914 -0.137 0.000 2.453 340 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 340 V C 2.750 178.691 176.094 -0.255 0.000 1.048 340 V CA 2.433 64.635 62.300 -0.164 0.000 1.049 340 V CB -0.246 31.503 31.823 -0.124 0.000 0.672 340 V HN 0.518 nan 8.190 nan 0.000 0.457 341 Q N -0.416 119.201 119.800 -0.305 0.000 2.084 341 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 341 Q C 2.153 177.575 176.000 -0.964 0.000 0.978 341 Q CA 2.114 57.576 55.803 -0.568 0.000 0.844 341 Q CB -0.148 28.320 28.738 -0.450 0.000 0.898 341 Q HN 0.711 nan 8.270 nan 0.000 0.426 342 E N 0.346 120.215 120.200 -0.552 0.000 2.208 342 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 342 E C 1.851 178.331 176.600 -0.199 0.000 0.988 342 E CA 0.673 56.883 56.400 -0.316 0.000 0.828 342 E CB 0.005 29.655 29.700 -0.083 0.000 0.763 342 E HN 0.330 nan 8.360 nan 0.000 0.478 343 A N 0.947 123.637 122.820 -0.217 0.000 1.898 343 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 343 A C 2.111 179.598 177.584 -0.163 0.000 1.181 343 A CA 0.863 52.811 52.037 -0.148 0.000 0.620 343 A CB -0.402 18.509 19.000 -0.148 0.000 0.819 343 A HN 0.136 nan 8.150 nan 0.000 0.442 344 I N -1.438 118.975 120.570 -0.262 0.000 2.252 344 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 344 I C 2.301 178.362 176.117 -0.094 0.000 1.102 344 I CA 1.198 62.357 61.300 -0.235 0.000 1.385 344 I CB -0.456 37.373 38.000 -0.286 0.000 1.064 344 I HN 0.365 nan 8.210 nan 0.000 0.414 345 Y N 0.891 121.164 120.300 -0.044 0.000 2.181 345 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 345 Y C 2.956 178.829 175.900 -0.046 0.000 1.146 345 Y CA 0.898 58.982 58.100 -0.027 0.000 1.164 345 Y CB -1.379 37.074 38.460 -0.013 0.000 0.982 345 Y HN 0.100 nan 8.280 nan 0.000 0.515 346 S N 0.070 115.846 115.700 0.126 0.000 2.382 346 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 346 S C 2.162 176.773 174.600 0.019 0.000 1.027 346 S CA 1.101 59.357 58.200 0.095 0.000 0.991 346 S CB -0.601 62.667 63.200 0.114 0.000 0.823 346 S HN 0.356 nan 8.310 nan 0.000 0.469 347 L N 0.876 122.093 121.223 -0.011 0.000 2.093 347 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 347 L C 2.144 179.035 176.870 0.035 0.000 1.085 347 L CA 0.903 55.727 54.840 -0.026 0.000 0.755 347 L CB -0.491 41.479 42.059 -0.149 0.000 0.904 347 L HN 0.296 nan 8.230 nan 0.000 0.435 348 L N -1.124 120.141 121.223 0.069 0.000 2.093 348 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 348 L C 2.597 179.576 176.870 0.182 0.000 1.085 348 L CA 1.148 56.130 54.840 0.236 0.000 0.755 348 L CB -0.303 41.919 42.059 0.271 0.000 0.904 348 L HN 0.303 nan 8.230 nan 0.000 0.435 349 M N -0.922 118.596 119.600 -0.136 0.000 2.175 349 M HA -0.199 4.281 4.480 -0.000 0.000 0.264 349 M C 2.240 178.404 176.300 -0.227 0.000 1.063 349 M CA 1.452 56.431 55.300 -0.535 0.000 1.119 349 M CB -0.206 31.942 32.600 -0.753 0.000 1.377 349 M HN 0.217 nan 8.290 nan 0.000 0.415 350 L N 0.527 121.697 121.223 -0.087 0.000 2.044 350 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 350 L C 2.232 179.105 176.870 0.004 0.000 1.075 350 L CA 1.965 56.789 54.840 -0.026 0.000 0.747 350 L CB -0.570 41.495 42.059 0.010 0.000 0.903 350 L HN 0.189 nan 8.230 nan 0.000 0.435 351 E N -1.206 119.011 120.200 0.028 0.000 2.106 351 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 351 E C 1.704 178.170 176.600 -0.223 0.000 0.984 351 E CA 1.527 57.891 56.400 -0.060 0.000 0.806 351 E CB -0.092 29.610 29.700 0.003 0.000 0.750 351 E HN 0.625 nan 8.360 nan 0.000 0.458 352 H N -1.353 117.819 119.070 0.171 0.000 2.586 352 H HA 0.279 4.835 4.556 -0.000 0.000 0.273 352 H C 0.596 176.064 175.328 0.234 0.000 0.997 352 H CA 0.520 56.699 56.048 0.218 0.000 1.177 352 H CB 0.642 30.594 29.762 0.317 0.000 1.471 352 H HN 0.276 nan 8.280 nan 0.000 0.538 353 G N 2.026 110.945 108.800 0.197 0.000 2.359 353 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.298 353 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.298 353 G C -0.203 174.824 174.900 0.212 0.000 1.030 353 G CA 0.769 45.951 45.100 0.136 0.000 1.149 353 G HN 0.518 nan 8.290 nan 0.000 0.512 354 F N -1.842 118.093 119.950 -0.025 0.000 2.668 354 F HA 0.810 5.337 4.527 0.000 0.000 0.309 354 F C -0.834 174.872 175.800 -0.156 0.000 1.117 354 F CA -2.289 55.673 58.000 -0.064 0.000 0.951 354 F CB 1.193 40.168 39.000 -0.041 0.000 1.323 354 F HN 0.041 nan 8.300 nan 0.000 0.451 355 I N 2.944 123.394 120.570 -0.200 0.000 2.355 355 I HA 0.588 4.758 4.170 -0.000 0.000 0.288 355 I C 0.182 176.204 176.117 -0.157 0.000 0.999 355 I CA -1.048 59.990 61.300 -0.436 0.000 1.163 355 I CB 1.564 39.404 38.000 -0.265 0.000 1.316 355 I HN 0.958 nan 8.210 nan 0.000 0.454 356 A N 9.429 132.078 122.820 -0.284 0.000 2.462 356 A HA 0.440 4.760 4.320 -0.000 0.000 0.243 356 A C -2.298 175.298 177.584 0.020 0.000 1.076 356 A CA -0.948 51.106 52.037 0.029 0.000 0.773 356 A CB -0.365 18.623 19.000 -0.019 0.000 1.010 356 A HN 0.439 nan 8.150 nan 0.000 0.493 357 P HA 0.130 nan 4.420 nan 0.000 0.278 357 P C -0.367 176.962 177.300 0.047 0.000 1.238 357 P CA -0.219 62.910 63.100 0.047 0.000 0.794 357 P CB 1.200 32.921 31.700 0.036 0.000 0.955 358 S N 2.613 118.355 115.700 0.070 0.000 2.415 358 S HA 0.373 4.843 4.470 -0.000 0.000 0.313 358 S C 0.605 175.235 174.600 0.051 0.000 1.067 358 S CA -0.814 57.433 58.200 0.079 0.000 1.099 358 S CB -1.296 61.999 63.200 0.159 0.000 0.991 358 S HN 0.347 nan 8.310 nan 0.000 0.491 359 I N 1.995 122.574 120.570 0.015 0.000 3.110 359 I HA 0.511 4.680 4.170 -0.000 0.000 0.314 359 I C 0.392 176.505 176.117 -0.007 0.000 1.020 359 I CA -0.623 60.679 61.300 0.003 0.000 1.169 359 I CB 0.360 38.353 38.000 -0.012 0.000 1.437 359 I HN 0.508 nan 8.210 nan 0.000 0.595 360 N N 0.783 119.476 118.700 -0.012 0.000 2.753 360 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 360 N C -0.561 174.945 175.510 -0.007 0.000 1.097 360 N CA 0.969 54.003 53.050 -0.027 0.000 0.786 360 N CB -1.513 36.933 38.487 -0.068 0.000 1.137 360 N HN 0.600 nan 8.380 nan 0.000 0.566 361 I N 1.326 121.911 120.570 0.025 0.000 2.281 361 I HA 0.045 4.215 4.170 -0.000 0.000 0.293 361 I C 1.366 177.514 176.117 0.052 0.000 1.085 361 I CA 0.027 61.359 61.300 0.054 0.000 1.257 361 I CB 0.534 38.584 38.000 0.083 0.000 1.430 361 I HN 0.035 nan 8.210 nan 0.000 0.489 362 E N 4.045 124.282 120.200 0.062 0.000 2.307 362 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 362 E C 0.387 177.037 176.600 0.085 0.000 0.975 362 E CA 0.363 56.802 56.400 0.065 0.000 0.878 362 E CB 0.604 30.342 29.700 0.064 0.000 0.845 362 E HN 0.520 nan 8.360 nan 0.000 0.488 363 E N 1.404 121.670 120.200 0.110 0.000 2.502 363 E HA 0.135 4.485 4.350 -0.000 0.000 0.261 363 E C -1.363 175.285 176.600 0.080 0.000 0.974 363 E CA -0.536 55.927 56.400 0.106 0.000 0.795 363 E CB 0.903 30.705 29.700 0.170 0.000 1.385 363 E HN -0.057 nan 8.360 nan 0.000 0.400 364 L N 3.854 125.116 121.223 0.064 0.000 2.540 364 L HA 0.048 4.388 4.340 -0.000 0.000 0.276 364 L C 0.222 177.117 176.870 0.041 0.000 1.212 364 L CA 0.731 55.606 54.840 0.058 0.000 0.893 364 L CB 0.542 42.623 42.059 0.038 0.000 1.138 364 L HN 0.545 nan 8.230 nan 0.000 0.491 365 D N 3.693 124.124 120.400 0.051 0.000 2.455 365 D HA -0.066 4.574 4.640 -0.000 0.000 0.241 365 D C 0.775 177.085 176.300 0.017 0.000 1.138 365 D CA 0.205 54.224 54.000 0.033 0.000 0.877 365 D CB 0.864 41.705 40.800 0.068 0.000 1.187 365 D HN 0.716 nan 8.370 nan 0.000 0.451 366 E N 1.966 122.172 120.200 0.009 0.000 2.160 366 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 366 E C 1.535 178.136 176.600 0.002 0.000 0.991 366 E CA 1.004 57.407 56.400 0.005 0.000 0.810 366 E CB 0.112 29.816 29.700 0.006 0.000 0.742 366 E HN 0.588 nan 8.360 nan 0.000 0.466 367 Q N -0.467 119.337 119.800 0.007 0.000 2.515 367 Q HA 0.040 4.380 4.340 -0.000 0.000 0.212 367 Q C 1.491 177.480 176.000 -0.017 0.000 0.970 367 Q CA 0.614 56.419 55.803 0.004 0.000 0.941 367 Q CB 0.332 29.081 28.738 0.019 0.000 0.998 367 Q HN 0.173 nan 8.270 nan 0.000 0.518 368 A N 0.589 123.388 122.820 -0.035 0.000 2.308 368 A HA 0.427 4.747 4.320 -0.000 0.000 0.217 368 A C 0.926 178.465 177.584 -0.075 0.000 1.216 368 A CA -0.050 51.930 52.037 -0.095 0.000 0.864 368 A CB 0.224 19.135 19.000 -0.148 0.000 0.902 368 A HN 0.265 nan 8.150 nan 0.000 0.499 369 A N -0.739 122.058 122.820 -0.039 0.000 2.511 369 A HA 0.449 4.769 4.320 -0.000 0.000 0.242 369 A C 1.596 179.164 177.584 -0.027 0.000 1.069 369 A CA 0.689 52.710 52.037 -0.027 0.000 0.763 369 A CB -0.515 18.478 19.000 -0.012 0.000 1.001 369 A HN 1.904 nan 8.150 nan 0.000 0.498 370 G N 0.903 109.687 108.800 -0.025 0.000 2.195 370 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 370 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 370 G C 0.069 174.952 174.900 -0.030 0.000 0.984 370 G CA 0.331 45.419 45.100 -0.020 0.000 0.633 370 G HN 0.800 nan 8.290 nan 0.000 0.525 371 L N 0.420 121.611 121.223 -0.052 0.000 2.343 371 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 371 L C 0.622 177.447 176.870 -0.075 0.000 1.056 371 L CA -1.033 53.764 54.840 -0.072 0.000 0.804 371 L CB 1.284 43.275 42.059 -0.113 0.000 1.203 371 L HN 0.075 nan 8.230 nan 0.000 0.440 372 N N 2.827 121.481 118.700 -0.076 0.000 3.178 372 N HA 0.193 4.933 4.740 -0.000 0.000 0.300 372 N C -0.554 174.923 175.510 -0.054 0.000 1.242 372 N CA 0.031 53.047 53.050 -0.057 0.000 1.192 372 N CB -0.407 38.047 38.487 -0.055 0.000 1.463 372 N HN 0.390 nan 8.380 nan 0.000 0.539 373 I N 1.253 121.786 120.570 -0.063 0.000 2.416 373 I HA 0.093 4.263 4.170 -0.000 0.000 0.288 373 I C -0.021 176.103 176.117 0.013 0.000 1.051 373 I CA -0.686 60.588 61.300 -0.043 0.000 1.375 373 I CB 1.123 39.064 38.000 -0.098 0.000 1.407 373 I HN -0.078 nan 8.210 nan 0.000 0.516 374 V N 5.598 125.544 119.914 0.052 0.000 2.383 374 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 374 V C 0.960 177.093 176.094 0.064 0.000 1.036 374 V CA -0.230 62.104 62.300 0.056 0.000 0.889 374 V CB 1.291 33.153 31.823 0.065 0.000 0.985 374 V HN 0.917 nan 8.190 nan 0.000 0.459 375 T N 0.357 114.940 114.554 0.048 0.000 3.085 375 T HA 0.282 4.632 4.350 -0.000 0.000 0.264 375 T C 0.174 174.894 174.700 0.035 0.000 1.019 375 T CA -0.198 61.930 62.100 0.047 0.000 0.910 375 T CB -0.119 68.775 68.868 0.043 0.000 1.059 375 T HN 0.787 nan 8.240 nan 0.000 0.542 376 E N 0.506 120.726 120.200 0.033 0.000 2.292 376 E HA 0.438 4.788 4.350 -0.000 0.000 0.272 376 E C -1.345 175.276 176.600 0.035 0.000 0.881 376 E CA -1.050 55.366 56.400 0.026 0.000 0.754 376 E CB 1.174 30.886 29.700 0.019 0.000 1.201 376 E HN -0.104 nan 8.360 nan 0.000 0.425 377 T N 2.624 117.200 114.554 0.036 0.000 2.822 377 T HA 0.073 4.423 4.350 -0.000 0.000 0.288 377 T C -0.402 174.335 174.700 0.061 0.000 0.991 377 T CA 0.493 62.633 62.100 0.065 0.000 1.176 377 T CB 0.123 69.007 68.868 0.026 0.000 0.951 377 T HN 0.433 nan 8.240 nan 0.000 0.526 378 T N 4.597 119.205 114.554 0.089 0.000 2.864 378 T HA 0.206 4.556 4.350 -0.000 0.000 0.299 378 T C -0.311 174.444 174.700 0.092 0.000 1.011 378 T CA -0.895 61.243 62.100 0.064 0.000 0.975 378 T CB 0.912 69.802 68.868 0.035 0.000 0.962 378 T HN 0.477 nan 8.240 nan 0.000 0.448 379 D N 3.039 123.487 120.400 0.081 0.000 2.390 379 D HA 0.353 4.993 4.640 -0.000 0.000 0.249 379 D C 0.434 176.770 176.300 0.060 0.000 1.144 379 D CA 0.234 54.291 54.000 0.096 0.000 0.880 379 D CB 1.140 41.977 40.800 0.062 0.000 1.182 379 D HN 0.408 nan 8.370 nan 0.000 0.451 380 R N 1.290 121.824 120.500 0.057 0.000 2.633 380 R HA 0.058 4.398 4.340 -0.000 0.000 0.255 380 R C -1.330 174.983 176.300 0.022 0.000 1.106 380 R CA -0.661 55.456 56.100 0.028 0.000 0.959 380 R CB 1.204 31.510 30.300 0.010 0.000 1.259 380 R HN 0.345 nan 8.270 nan 0.000 0.453 381 E N 5.600 125.812 120.200 0.020 0.000 2.166 381 E HA 0.175 4.525 4.350 -0.000 0.000 0.279 381 E C -0.863 175.742 176.600 0.008 0.000 1.095 381 E CA -0.264 56.146 56.400 0.017 0.000 0.888 381 E CB 0.535 30.245 29.700 0.017 0.000 1.041 381 E HN 0.433 nan 8.360 nan 0.000 0.414 382 L N 3.862 125.085 121.223 -0.000 0.000 2.360 382 L HA 0.346 4.686 4.340 -0.000 0.000 0.271 382 L C 0.817 177.692 176.870 0.009 0.000 1.057 382 L CA -0.572 54.269 54.840 0.002 0.000 0.803 382 L CB 1.766 43.814 42.059 -0.018 0.000 1.207 382 L HN 0.624 nan 8.230 nan 0.000 0.445 383 T N -1.596 112.968 114.554 0.017 0.000 3.115 383 T HA 0.094 4.444 4.350 -0.000 0.000 0.256 383 T C 0.204 174.917 174.700 0.022 0.000 0.970 383 T CA 0.267 62.377 62.100 0.016 0.000 1.010 383 T CB 0.727 69.604 68.868 0.014 0.000 1.151 383 T HN 0.596 nan 8.240 nan 0.000 0.479 384 T N 2.913 117.486 114.554 0.031 0.000 2.841 384 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 384 T C -0.786 173.944 174.700 0.051 0.000 0.991 384 T CA -0.683 61.440 62.100 0.038 0.000 0.966 384 T CB 2.044 70.935 68.868 0.039 0.000 0.962 384 T HN 0.225 nan 8.240 nan 0.000 0.438 385 V N 1.130 121.076 119.914 0.054 0.000 2.914 385 V HA 0.867 4.987 4.120 -0.000 0.000 0.314 385 V C -0.662 175.447 176.094 0.024 0.000 1.084 385 V CA -1.221 61.118 62.300 0.065 0.000 0.963 385 V CB 2.152 34.054 31.823 0.133 0.000 1.025 385 V HN 0.977 nan 8.190 nan 0.000 0.432 386 M N 2.976 122.557 119.600 -0.032 0.000 2.464 386 M HA 0.753 5.233 4.480 -0.000 0.000 0.308 386 M C -1.026 175.218 176.300 -0.094 0.000 1.127 386 M CA -0.277 55.003 55.300 -0.034 0.000 0.913 386 M CB 2.207 34.811 32.600 0.006 0.000 1.689 386 M HN 0.979 nan 8.290 nan 0.000 0.445 387 S N 3.251 118.911 115.700 -0.067 0.000 2.647 387 S HA 0.580 5.050 4.470 -0.000 0.000 0.300 387 S C -1.447 173.075 174.600 -0.130 0.000 1.129 387 S CA -0.780 57.360 58.200 -0.100 0.000 1.029 387 S CB 0.986 64.140 63.200 -0.077 0.000 1.007 387 S HN 0.846 nan 8.310 nan 0.000 0.484 388 N N 2.160 120.741 118.700 -0.198 0.000 2.443 388 N HA 0.561 5.301 4.740 -0.000 0.000 0.295 388 N C -1.289 173.879 175.510 -0.570 0.000 1.076 388 N CA -0.379 52.428 53.050 -0.404 0.000 0.919 388 N CB 1.841 40.038 38.487 -0.483 0.000 1.176 388 N HN 0.478 nan 8.380 nan 0.000 0.487 389 S N 1.483 116.717 115.700 -0.776 0.000 2.736 389 S HA 0.572 5.042 4.470 -0.000 0.000 0.285 389 S C -1.283 172.873 174.600 -0.741 0.000 1.163 389 S CA -0.609 57.221 58.200 -0.617 0.000 1.025 389 S CB 0.406 63.425 63.200 -0.301 0.000 1.030 389 S HN 0.285 nan 8.310 nan 0.000 0.486 390 F N 1.004 120.577 119.950 -0.629 0.000 2.561 390 F HA 0.896 5.423 4.527 -0.000 0.000 0.321 390 F C 0.776 176.387 175.800 -0.315 0.000 1.065 390 F CA -0.945 56.773 58.000 -0.470 0.000 0.934 390 F CB 1.861 40.560 39.000 -0.502 0.000 1.215 390 F HN 0.658 nan 8.300 nan 0.000 0.471 391 G N 0.486 109.374 108.800 0.147 0.000 2.672 391 G HA2 0.542 4.502 3.960 -0.000 0.000 0.292 391 G HA3 0.542 4.502 3.960 -0.000 0.000 0.292 391 G C -1.276 173.827 174.900 0.338 0.000 1.375 391 G CA -0.879 44.328 45.100 0.179 0.000 0.890 391 G HN 0.484 nan 8.290 nan 0.000 0.476 392 F N 0.205 120.249 119.950 0.157 0.000 2.628 392 F HA 0.265 4.792 4.527 -0.000 0.000 0.362 392 F C 1.691 177.552 175.800 0.102 0.000 1.148 392 F CA 1.366 59.448 58.000 0.137 0.000 1.352 392 F CB 0.850 39.943 39.000 0.155 0.000 1.081 392 F HN 0.922 nan 8.300 nan 0.000 0.605 393 G N 1.162 110.109 108.800 0.245 0.000 2.157 393 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.239 393 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.239 393 G C 0.649 175.615 174.900 0.111 0.000 0.982 393 G CA 0.063 45.250 45.100 0.145 0.000 0.650 393 G HN 1.759 nan 8.290 nan 0.000 0.527 394 G N -1.020 107.853 108.800 0.122 0.000 2.295 394 G HA2 0.082 4.042 3.960 -0.000 0.000 0.287 394 G HA3 0.082 4.042 3.960 -0.000 0.000 0.287 394 G C 0.346 175.299 174.900 0.088 0.000 1.055 394 G CA 1.382 46.528 45.100 0.076 0.000 0.922 394 G HN 1.955 nan 8.290 nan 0.000 0.503 395 T N 0.332 114.973 114.554 0.145 0.000 2.795 395 T HA 0.577 4.927 4.350 -0.000 0.000 0.282 395 T C 0.044 174.889 174.700 0.241 0.000 0.980 395 T CA -0.620 61.592 62.100 0.186 0.000 1.012 395 T CB 0.380 69.381 68.868 0.222 0.000 0.936 395 T HN 0.328 nan 8.240 nan 0.000 0.457 396 N N 2.756 121.609 118.700 0.255 0.000 2.269 396 N HA 0.719 5.459 4.740 -0.000 0.000 0.304 396 N C -1.302 174.333 175.510 0.208 0.000 1.072 396 N CA -0.644 52.590 53.050 0.308 0.000 0.802 396 N CB 2.135 40.776 38.487 0.258 0.000 1.348 396 N HN 0.753 nan 8.380 nan 0.000 0.484 397 A N 0.710 123.558 122.820 0.046 0.000 2.427 397 A HA 0.724 5.044 4.320 -0.000 0.000 0.298 397 A C -0.919 176.627 177.584 -0.063 0.000 1.036 397 A CA -0.497 51.483 52.037 -0.094 0.000 0.701 397 A CB 1.347 20.054 19.000 -0.488 0.000 1.250 397 A HN 0.449 nan 8.150 nan 0.000 0.412 398 T N 2.445 117.014 114.554 0.025 0.000 2.921 398 T HA 0.607 4.957 4.350 -0.000 0.000 0.297 398 T C -0.870 173.890 174.700 0.099 0.000 1.013 398 T CA -0.250 61.866 62.100 0.026 0.000 0.990 398 T CB 0.919 69.820 68.868 0.055 0.000 1.023 398 T HN 0.507 nan 8.240 nan 0.000 0.447 399 L N 2.722 123.978 121.223 0.055 0.000 2.365 399 L HA 0.785 5.125 4.340 -0.000 0.000 0.273 399 L C -0.815 176.082 176.870 0.044 0.000 1.000 399 L CA -1.164 53.720 54.840 0.073 0.000 0.819 399 L CB 2.070 44.138 42.059 0.014 0.000 1.284 399 L HN 0.335 nan 8.230 nan 0.000 0.418 400 V N 3.842 123.792 119.914 0.059 0.000 2.444 400 V HA 0.510 4.630 4.120 -0.000 0.000 0.294 400 V C -0.154 175.960 176.094 0.034 0.000 1.022 400 V CA -0.345 61.984 62.300 0.047 0.000 0.850 400 V CB 1.743 33.603 31.823 0.062 0.000 0.992 400 V HN 0.714 nan 8.190 nan 0.000 0.426 401 M N 5.130 124.744 119.600 0.024 0.000 2.393 401 M HA 0.670 5.150 4.480 -0.000 0.000 0.316 401 M C -0.521 175.791 176.300 0.021 0.000 1.087 401 M CA -0.412 54.897 55.300 0.015 0.000 0.937 401 M CB 2.590 35.192 32.600 0.004 0.000 1.668 401 M HN 0.587 nan 8.290 nan 0.000 0.438 402 R N 1.485 121.994 120.500 0.015 0.000 2.725 402 R HA 0.485 4.825 4.340 -0.000 0.000 0.277 402 R C -1.133 175.170 176.300 0.005 0.000 0.987 402 R CA -0.808 55.300 56.100 0.014 0.000 0.901 402 R CB 2.077 32.386 30.300 0.014 0.000 1.207 402 R HN 0.647 nan 8.270 nan 0.000 0.463 403 K N 2.003 122.405 120.400 0.004 0.000 2.414 403 K HA 0.031 4.351 4.320 -0.000 0.000 0.272 403 K C -0.370 176.222 176.600 -0.014 0.000 0.993 403 K CA -0.155 56.128 56.287 -0.007 0.000 0.964 403 K CB 0.425 32.922 32.500 -0.006 0.000 0.925 403 K HN 0.261 nan 8.250 nan 0.000 0.487 404 L N 3.387 124.594 121.223 -0.026 0.000 2.290 404 L HA 0.119 4.459 4.340 -0.000 0.000 0.284 404 L C -0.829 176.027 176.870 -0.023 0.000 1.078 404 L CA -0.230 54.593 54.840 -0.027 0.000 0.815 404 L CB 0.640 42.675 42.059 -0.041 0.000 1.162 404 L HN 0.360 nan 8.230 nan 0.000 0.435 405 K N 4.355 124.745 120.400 -0.017 0.000 2.362 405 K HA -0.003 4.317 4.320 -0.000 0.000 0.261 405 K C 0.181 176.771 176.600 -0.016 0.000 1.195 405 K CA 1.312 57.591 56.287 -0.013 0.000 1.233 405 K CB -1.115 31.378 32.500 -0.011 0.000 0.795 405 K HN 0.915 nan 8.250 nan 0.000 0.498 406 D N 0.000 120.392 120.400 -0.014 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 406 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683