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 2byx_1_C 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 SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATAAM 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 0.011 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 K N 2.107 122.512 120.400 0.008 0.000 2.326 2 K HA 0.406 4.726 4.320 -0.000 0.000 0.275 2 K C -0.643 175.959 176.600 0.004 0.000 1.018 2 K CA 0.058 56.348 56.287 0.005 0.000 0.962 2 K CB 0.479 32.979 32.500 -0.001 0.000 0.953 2 K HN 0.467 nan 8.250 nan 0.000 0.475 3 R N 0.577 121.078 120.500 0.002 0.000 2.500 3 R HA 0.462 4.802 4.340 -0.000 0.000 0.277 3 R C -0.350 175.944 176.300 -0.010 0.000 1.026 3 R CA -0.780 55.321 56.100 0.000 0.000 1.058 3 R CB 1.092 31.392 30.300 0.002 0.000 1.078 3 R HN 0.220 nan 8.270 nan 0.000 0.509 4 V N 2.676 122.581 119.914 -0.015 0.000 2.656 4 V HA 0.501 4.621 4.120 -0.000 0.000 0.307 4 V C -0.218 175.856 176.094 -0.033 0.000 1.051 4 V CA -0.781 61.500 62.300 -0.032 0.000 0.893 4 V CB 1.767 33.564 31.823 -0.042 0.000 0.999 4 V HN 0.642 nan 8.190 nan 0.000 0.426 5 V N 1.851 121.739 119.914 -0.043 0.000 3.141 5 V HA 0.708 4.828 4.120 -0.000 0.000 0.312 5 V C -0.996 175.069 176.094 -0.048 0.000 1.157 5 V CA -0.939 61.338 62.300 -0.038 0.000 1.041 5 V CB 2.539 34.341 31.823 -0.034 0.000 1.071 5 V HN 0.571 nan 8.190 nan 0.000 0.441 6 I N 2.433 122.989 120.570 -0.023 0.000 2.354 6 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 6 I C 0.989 177.151 176.117 0.075 0.000 0.989 6 I CA 0.167 61.461 61.300 -0.010 0.000 1.188 6 I CB 1.276 39.261 38.000 -0.025 0.000 1.342 6 I HN 1.053 nan 8.210 nan 0.000 0.457 7 T N 0.961 115.554 114.554 0.064 0.000 3.091 7 T HA 0.508 4.858 4.350 -0.000 0.000 0.277 7 T C 0.473 175.299 174.700 0.210 0.000 0.996 7 T CA -0.337 61.823 62.100 0.100 0.000 0.897 7 T CB 0.463 69.341 68.868 0.017 0.000 1.109 7 T HN 0.796 nan 8.240 nan 0.000 0.534 8 G N 1.429 110.361 108.800 0.218 0.000 2.655 8 G HA2 0.544 4.504 3.960 -0.000 0.000 0.296 8 G HA3 0.544 4.504 3.960 -0.000 0.000 0.296 8 G C -2.000 172.919 174.900 0.032 0.000 1.485 8 G CA -0.909 44.318 45.100 0.212 0.000 0.869 8 G HN 0.652 nan 8.290 nan 0.000 0.540 9 L N -0.919 120.303 121.223 -0.001 0.000 2.415 9 L HA 1.073 5.413 4.340 -0.000 0.000 0.256 9 L C -0.013 176.823 176.870 -0.057 0.000 1.010 9 L CA -0.924 53.849 54.840 -0.112 0.000 0.826 9 L CB 1.892 43.778 42.059 -0.287 0.000 1.405 9 L HN 1.271 nan 8.230 nan 0.000 0.410 10 G N 0.673 109.427 108.800 -0.075 0.000 2.733 10 G HA2 0.766 4.726 3.960 -0.000 0.000 0.297 10 G HA3 0.766 4.726 3.960 -0.000 0.000 0.297 10 G C -2.073 172.790 174.900 -0.061 0.000 1.422 10 G CA -0.611 44.457 45.100 -0.053 0.000 0.942 10 G HN 1.021 nan 8.290 nan 0.000 0.510 11 I N 0.488 121.037 120.570 -0.036 0.000 2.842 11 I HA 0.620 4.790 4.170 -0.000 0.000 0.297 11 I C -1.567 174.534 176.117 -0.026 0.000 1.380 11 I CA -0.937 60.337 61.300 -0.043 0.000 1.018 11 I CB 2.368 40.341 38.000 -0.045 0.000 1.311 11 I HN 0.376 nan 8.210 nan 0.000 0.439 12 V N 6.109 125.991 119.914 -0.054 0.000 2.445 12 V HA 0.560 4.680 4.120 -0.000 0.000 0.283 12 V C -0.340 175.657 176.094 -0.161 0.000 1.014 12 V CA -0.191 62.055 62.300 -0.090 0.000 0.852 12 V CB 1.274 33.045 31.823 -0.086 0.000 1.021 12 V HN 0.827 nan 8.190 nan 0.000 0.435 13 S N 2.331 117.967 115.700 -0.106 0.000 2.732 13 S HA 0.479 4.949 4.470 -0.000 0.000 0.293 13 S C 1.191 175.731 174.600 -0.101 0.000 1.159 13 S CA 0.104 58.245 58.200 -0.099 0.000 0.847 13 S CB 1.776 65.007 63.200 0.052 0.000 1.169 13 S HN 0.910 nan 8.310 nan 0.000 0.501 14 S N 0.415 116.062 115.700 -0.089 0.000 2.442 14 S HA -0.087 4.383 4.470 -0.000 0.000 0.236 14 S C 1.474 176.047 174.600 -0.046 0.000 1.007 14 S CA 1.097 59.249 58.200 -0.079 0.000 0.965 14 S CB -1.155 62.010 63.200 -0.059 0.000 0.773 14 S HN 1.001 nan 8.310 nan 0.000 0.504 15 I N -2.414 118.135 120.570 -0.035 0.000 3.941 15 I HA 0.655 4.825 4.170 -0.000 0.000 0.335 15 I C 0.582 176.682 176.117 -0.029 0.000 1.402 15 I CA -0.393 60.881 61.300 -0.043 0.000 1.112 15 I CB 0.115 38.060 38.000 -0.091 0.000 1.043 15 I HN 0.292 nan 8.210 nan 0.000 0.395 16 G N 1.070 109.859 108.800 -0.019 0.000 2.405 16 G HA2 0.054 4.014 3.960 -0.000 0.000 0.303 16 G HA3 0.054 4.014 3.960 -0.000 0.000 0.303 16 G C -0.808 174.086 174.900 -0.011 0.000 1.644 16 G CA -0.631 44.464 45.100 -0.009 0.000 0.899 16 G HN -0.002 nan 8.290 nan 0.000 0.667 17 N N 0.102 118.796 118.700 -0.009 0.000 2.336 17 N HA 0.099 4.839 4.740 -0.000 0.000 0.189 17 N C 0.381 175.895 175.510 0.006 0.000 1.113 17 N CA 0.701 53.746 53.050 -0.008 0.000 0.858 17 N CB 0.276 38.763 38.487 -0.001 0.000 0.970 17 N HN 0.814 nan 8.380 nan 0.000 0.471 18 N N -1.700 117.008 118.700 0.012 0.000 3.179 18 N HA -0.019 4.721 4.740 -0.000 0.000 0.250 18 N C 0.376 175.905 175.510 0.031 0.000 1.507 18 N CA -0.668 52.394 53.050 0.020 0.000 0.883 18 N CB 0.470 38.970 38.487 0.022 0.000 1.435 18 N HN -0.155 nan 8.380 nan 0.000 0.532 19 Q N -1.065 118.760 119.800 0.042 0.000 2.167 19 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 19 Q C 0.729 176.756 176.000 0.045 0.000 0.970 19 Q CA 1.565 57.405 55.803 0.062 0.000 0.855 19 Q CB -0.362 28.429 28.738 0.089 0.000 0.911 19 Q HN 0.640 nan 8.270 nan 0.000 0.438 20 Q N 1.436 121.251 119.800 0.026 0.000 2.050 20 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 20 Q C 1.845 177.830 176.000 -0.024 0.000 0.980 20 Q CA 2.038 57.837 55.803 -0.007 0.000 0.840 20 Q CB -0.061 28.675 28.738 -0.003 0.000 0.898 20 Q HN 0.567 nan 8.270 nan 0.000 0.424 21 E N -0.176 120.018 120.200 -0.010 0.000 2.106 21 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 21 E C 2.024 178.613 176.600 -0.019 0.000 0.984 21 E CA 1.153 57.543 56.400 -0.018 0.000 0.806 21 E CB -0.002 29.692 29.700 -0.010 0.000 0.750 21 E HN 0.115 nan 8.360 nan 0.000 0.458 22 V N 1.549 121.469 119.914 0.009 0.000 2.307 22 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 22 V C 2.307 178.404 176.094 0.005 0.000 1.045 22 V CA 1.392 63.707 62.300 0.025 0.000 1.024 22 V CB -0.381 31.514 31.823 0.120 0.000 0.651 22 V HN 0.234 nan 8.190 nan 0.000 0.449 23 L N 1.086 122.312 121.223 0.005 0.000 2.042 23 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 23 L C 2.418 179.209 176.870 -0.132 0.000 1.076 23 L CA 2.516 57.331 54.840 -0.041 0.000 0.749 23 L CB -1.031 40.937 42.059 -0.152 0.000 0.893 23 L HN 0.223 nan 8.230 nan 0.000 0.432 24 A N -1.441 121.306 122.820 -0.122 0.000 1.877 24 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 24 A C 2.388 179.906 177.584 -0.110 0.000 1.186 24 A CA 2.003 53.961 52.037 -0.132 0.000 0.620 24 A CB -1.030 17.913 19.000 -0.095 0.000 0.822 24 A HN 0.544 nan 8.150 nan 0.000 0.443 25 S N -0.064 115.588 115.700 -0.081 0.000 2.356 25 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 25 S C 1.845 176.400 174.600 -0.076 0.000 1.032 25 S CA 1.522 59.677 58.200 -0.075 0.000 1.005 25 S CB -0.511 62.643 63.200 -0.077 0.000 0.867 25 S HN 0.502 nan 8.310 nan 0.000 0.449 26 L N 0.799 121.986 121.223 -0.061 0.000 2.042 26 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 26 L C 2.705 179.608 176.870 0.056 0.000 1.076 26 L CA 1.358 56.210 54.840 0.019 0.000 0.749 26 L CB -0.430 41.735 42.059 0.177 0.000 0.893 26 L HN 0.216 nan 8.230 nan 0.000 0.432 27 R N -0.067 120.358 120.500 -0.125 0.000 2.115 27 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 27 R C 1.836 178.061 176.300 -0.126 0.000 1.111 27 R CA 1.096 57.039 56.100 -0.261 0.000 0.976 27 R CB -0.053 29.956 30.300 -0.485 0.000 0.870 27 R HN 0.454 nan 8.270 nan 0.000 0.445 28 E N -0.741 119.401 120.200 -0.098 0.000 2.474 28 E HA 0.091 4.441 4.350 -0.000 0.000 0.194 28 E C 0.547 177.124 176.600 -0.039 0.000 1.041 28 E CA 0.285 56.645 56.400 -0.066 0.000 0.874 28 E CB 0.708 30.369 29.700 -0.065 0.000 0.914 28 E HN 0.424 nan 8.360 nan 0.000 0.498 29 G N 2.814 111.596 108.800 -0.031 0.000 2.273 29 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.280 29 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.280 29 G C 0.019 174.902 174.900 -0.028 0.000 1.047 29 G CA 0.383 45.471 45.100 -0.021 0.000 0.869 29 G HN 0.205 nan 8.290 nan 0.000 0.502 30 R N 0.197 120.673 120.500 -0.039 0.000 2.340 30 R HA 0.490 4.830 4.340 -0.000 0.000 0.300 30 R C 0.673 176.952 176.300 -0.034 0.000 1.069 30 R CA 0.207 56.288 56.100 -0.033 0.000 0.984 30 R CB 0.627 30.906 30.300 -0.036 0.000 1.003 30 R HN 0.263 nan 8.270 nan 0.000 0.459 31 S N 1.689 117.379 115.700 -0.017 0.000 2.584 31 S HA 0.286 4.756 4.470 -0.000 0.000 0.273 31 S C 0.837 175.437 174.600 -0.000 0.000 1.311 31 S CA -0.228 57.966 58.200 -0.009 0.000 1.034 31 S CB 1.294 64.498 63.200 0.007 0.000 0.939 31 S HN 0.777 nan 8.310 nan 0.000 0.513 32 G N 3.553 112.354 108.800 0.002 0.000 3.277 32 G HA2 0.238 4.198 3.960 -0.000 0.000 0.243 32 G HA3 0.238 4.198 3.960 -0.000 0.000 0.243 32 G C 0.074 175.004 174.900 0.049 0.000 1.107 32 G CA -0.250 44.856 45.100 0.010 0.000 0.771 32 G HN 0.600 nan 8.290 nan 0.000 0.544 33 I N 2.674 123.286 120.570 0.070 0.000 2.395 33 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 33 I C 0.616 176.827 176.117 0.158 0.000 1.023 33 I CA -0.285 61.090 61.300 0.125 0.000 1.350 33 I CB 0.463 38.528 38.000 0.108 0.000 1.409 33 I HN 0.083 nan 8.210 nan 0.000 0.507 34 T N 2.626 117.325 114.554 0.241 0.000 2.865 34 T HA 0.532 4.882 4.350 -0.000 0.000 0.294 34 T C -0.518 174.327 174.700 0.241 0.000 1.119 34 T CA -0.735 61.512 62.100 0.245 0.000 1.007 34 T CB 1.776 70.799 68.868 0.258 0.000 1.225 34 T HN 0.201 nan 8.240 nan 0.000 0.515 35 F N 1.642 121.634 119.950 0.070 0.000 2.471 35 F HA 0.566 5.093 4.527 -0.000 0.000 0.353 35 F C 0.441 176.162 175.800 -0.132 0.000 1.113 35 F CA -0.171 57.820 58.000 -0.016 0.000 1.262 35 F CB 0.923 39.923 39.000 0.000 0.000 1.146 35 F HN 0.687 nan 8.300 nan 0.000 0.578 36 S N 4.748 119.654 115.700 -1.324 0.000 2.640 36 S HA 0.202 4.672 4.470 -0.000 0.000 0.320 36 S C 0.465 174.222 174.600 -1.406 0.000 1.097 36 S CA -0.652 56.715 58.200 -1.389 0.000 1.092 36 S CB 1.294 63.198 63.200 -2.160 0.000 0.988 36 S HN 0.867 nan 8.310 nan 0.000 0.470 37 Q N 3.346 122.618 119.800 -0.881 0.000 2.167 37 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 37 Q C 1.727 177.480 176.000 -0.411 0.000 0.970 37 Q CA 2.081 57.588 55.803 -0.492 0.000 0.855 37 Q CB -0.105 28.566 28.738 -0.113 0.000 0.911 37 Q HN 0.904 nan 8.270 nan 0.000 0.438 38 E N -0.457 119.501 120.200 -0.403 0.000 2.031 38 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 38 E C 1.804 178.225 176.600 -0.298 0.000 0.994 38 E CA 1.329 57.583 56.400 -0.242 0.000 0.800 38 E CB -0.182 29.493 29.700 -0.043 0.000 0.752 38 E HN 0.446 nan 8.360 nan 0.000 0.447 39 L N 0.696 121.633 121.223 -0.477 0.000 2.017 39 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 39 L C 2.879 179.566 176.870 -0.306 0.000 1.073 39 L CA 1.587 56.247 54.840 -0.300 0.000 0.745 39 L CB -0.577 41.267 42.059 -0.358 0.000 0.894 39 L HN 0.170 nan 8.230 nan 0.000 0.432 40 K N 0.309 120.397 120.400 -0.520 0.000 2.026 40 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 40 K C 1.672 178.048 176.600 -0.374 0.000 1.048 40 K CA 1.886 57.775 56.287 -0.663 0.000 0.929 40 K CB -0.019 32.004 32.500 -0.795 0.000 0.713 40 K HN 0.203 nan 8.250 nan 0.000 0.439 41 D N 0.255 120.468 120.400 -0.313 0.000 2.221 41 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 41 D C 1.839 177.958 176.300 -0.301 0.000 0.982 41 D CA 1.486 55.334 54.000 -0.252 0.000 0.857 41 D CB -0.143 40.526 40.800 -0.219 0.000 0.934 41 D HN 0.366 nan 8.370 nan 0.000 0.475 42 S N -0.947 114.538 115.700 -0.358 0.000 2.555 42 S HA 0.156 4.626 4.470 -0.000 0.000 0.230 42 S C 1.735 176.171 174.600 -0.274 0.000 0.978 42 S CA 0.850 58.760 58.200 -0.484 0.000 0.934 42 S CB 0.156 63.061 63.200 -0.492 0.000 0.766 42 S HN 0.323 nan 8.310 nan 0.000 0.533 43 G N 0.535 109.230 108.800 -0.175 0.000 2.159 43 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.227 43 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.227 43 G C 0.012 174.912 174.900 0.001 0.000 0.986 43 G CA 0.134 45.185 45.100 -0.083 0.000 0.651 43 G HN 0.495 nan 8.290 nan 0.000 0.523 44 M N -0.538 119.076 119.600 0.023 0.000 2.198 44 M HA 0.404 4.884 4.480 -0.000 0.000 0.315 44 M C 1.852 178.275 176.300 0.205 0.000 1.134 44 M CA 0.058 55.422 55.300 0.106 0.000 1.171 44 M CB 0.523 33.193 32.600 0.117 0.000 1.413 44 M HN 0.155 nan 8.290 nan 0.000 0.467 45 R N -0.404 120.166 120.500 0.117 0.000 2.223 45 R HA 0.110 4.450 4.340 -0.000 0.000 0.198 45 R C 0.372 176.568 176.300 -0.173 0.000 0.984 45 R CA 0.179 56.282 56.100 0.005 0.000 1.018 45 R CB 0.307 30.597 30.300 -0.017 0.000 0.945 45 R HN 0.545 nan 8.270 nan 0.000 0.479 46 S N 0.463 116.152 115.700 -0.018 0.000 2.422 46 S HA 0.146 4.616 4.470 -0.000 0.000 0.298 46 S C -0.110 174.546 174.600 0.093 0.000 1.118 46 S CA -0.597 57.576 58.200 -0.046 0.000 1.083 46 S CB 0.325 63.512 63.200 -0.021 0.000 0.971 46 S HN 0.336 nan 8.310 nan 0.000 0.478 47 H N 3.024 122.052 119.070 -0.071 0.000 2.469 47 H HA 0.342 4.898 4.556 -0.000 0.000 0.286 47 H C 0.028 175.177 175.328 -0.298 0.000 1.106 47 H CA -0.605 55.317 56.048 -0.211 0.000 1.055 47 H CB 0.472 30.224 29.762 -0.016 0.000 1.618 47 H HN 0.455 nan 8.280 nan 0.000 0.559 48 V N -1.850 118.024 119.914 -0.067 0.000 2.962 48 V HA 0.643 4.763 4.120 -0.000 0.000 0.313 48 V C -1.418 174.731 176.094 0.092 0.000 1.099 48 V CA -0.949 61.336 62.300 -0.025 0.000 0.971 48 V CB 2.250 34.135 31.823 0.103 0.000 1.028 48 V HN 0.393 nan 8.190 nan 0.000 0.430 49 W N 1.035 122.347 121.300 0.019 0.000 3.059 49 W HA 0.816 5.476 4.660 -0.000 0.000 0.329 49 W C -0.351 176.180 176.519 0.021 0.000 1.246 49 W CA -1.678 55.678 57.345 0.018 0.000 1.190 49 W CB 0.793 30.261 29.460 0.013 0.000 1.423 49 W HN 1.056 nan 8.180 nan 0.000 0.571 50 G N 1.997 110.910 108.800 0.187 0.000 2.922 50 G HA2 0.405 4.365 3.960 -0.000 0.000 0.335 50 G HA3 0.405 4.365 3.960 -0.000 0.000 0.335 50 G C -0.493 174.283 174.900 -0.206 0.000 1.016 50 G CA -0.807 44.305 45.100 0.020 0.000 1.306 50 G HN 0.622 nan 8.290 nan 0.000 0.465 51 N N 0.169 118.672 118.700 -0.328 0.000 2.515 51 N HA 0.432 5.172 4.740 -0.000 0.000 0.279 51 N C -0.396 174.938 175.510 -0.292 0.000 1.164 51 N CA -0.902 51.831 53.050 -0.529 0.000 0.982 51 N CB 2.047 40.137 38.487 -0.663 0.000 1.170 51 N HN 0.001 nan 8.380 nan 0.000 0.474 52 V N 1.248 120.969 119.914 -0.323 0.000 2.455 52 V HA 0.055 4.175 4.120 -0.000 0.000 0.273 52 V C 0.209 176.225 176.094 -0.130 0.000 1.045 52 V CA -0.295 61.845 62.300 -0.265 0.000 0.976 52 V CB 0.396 31.947 31.823 -0.453 0.000 0.993 52 V HN 0.716 nan 8.190 nan 0.000 0.475 53 K N 5.842 126.195 120.400 -0.078 0.000 2.363 53 K HA 0.558 4.878 4.320 -0.000 0.000 0.240 53 K C -0.855 175.741 176.600 -0.007 0.000 1.169 53 K CA -0.167 56.106 56.287 -0.022 0.000 1.131 53 K CB 0.345 32.841 32.500 -0.006 0.000 1.771 53 K HN 0.447 nan 8.250 nan 0.000 0.380 54 L N 0.569 121.797 121.223 0.008 0.000 2.565 54 L HA 0.307 4.647 4.340 -0.000 0.000 0.261 54 L C -1.902 174.998 176.870 0.049 0.000 0.932 54 L CA -0.586 54.271 54.840 0.028 0.000 0.878 54 L CB 2.070 44.146 42.059 0.030 0.000 1.333 54 L HN 0.181 nan 8.230 nan 0.000 0.409 55 D N 1.803 122.228 120.400 0.042 0.000 2.339 55 D HA 0.273 4.913 4.640 -0.000 0.000 0.241 55 D C 0.951 177.276 176.300 0.041 0.000 1.183 55 D CA 0.489 54.513 54.000 0.040 0.000 0.859 55 D CB 1.334 42.152 40.800 0.029 0.000 1.067 55 D HN 0.679 nan 8.370 nan 0.000 0.484 56 T N -0.023 114.559 114.554 0.046 0.000 3.129 56 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 56 T C 0.756 175.457 174.700 0.001 0.000 1.117 56 T CA -0.275 61.847 62.100 0.038 0.000 1.034 56 T CB -0.416 68.479 68.868 0.045 0.000 0.968 56 T HN 0.256 nan 8.240 nan 0.000 0.526 57 T N 2.454 117.006 114.554 -0.002 0.000 2.871 57 T HA 0.418 4.768 4.350 -0.000 0.000 0.296 57 T C 1.526 176.214 174.700 -0.020 0.000 0.998 57 T CA 0.746 62.834 62.100 -0.019 0.000 1.162 57 T CB 0.141 69.002 68.868 -0.012 0.000 0.947 57 T HN 0.722 nan 8.240 nan 0.000 0.536 58 G N 2.650 111.427 108.800 -0.039 0.000 2.184 58 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.264 58 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.264 58 G C 0.826 175.711 174.900 -0.026 0.000 0.975 58 G CA 0.298 45.377 45.100 -0.036 0.000 0.642 58 G HN 0.694 nan 8.290 nan 0.000 0.536 59 L N -0.395 120.816 121.223 -0.020 0.000 2.418 59 L HA 0.372 4.712 4.340 -0.000 0.000 0.218 59 L C 1.189 178.057 176.870 -0.003 0.000 1.125 59 L CA 0.678 55.525 54.840 0.011 0.000 0.835 59 L CB -0.035 42.049 42.059 0.042 0.000 0.953 59 L HN 0.294 nan 8.230 nan 0.000 0.454 60 I N -1.025 119.491 120.570 -0.090 0.000 2.608 60 I HA 0.179 4.349 4.170 -0.000 0.000 0.295 60 I C -0.420 175.585 176.117 -0.187 0.000 1.049 60 I CA -0.991 60.189 61.300 -0.200 0.000 1.063 60 I CB 2.171 39.900 38.000 -0.451 0.000 1.248 60 I HN -0.196 nan 8.210 nan 0.000 0.424 61 D N 4.505 124.802 120.400 -0.171 0.000 2.583 61 D HA -0.078 4.562 4.640 -0.000 0.000 0.232 61 D C 1.315 177.519 176.300 -0.160 0.000 1.128 61 D CA 0.610 54.531 54.000 -0.131 0.000 0.859 61 D CB 1.009 41.746 40.800 -0.104 0.000 1.169 61 D HN 0.528 nan 8.370 nan 0.000 0.481 62 R N 3.846 124.267 120.500 -0.131 0.000 2.112 62 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 62 R C 1.931 178.125 176.300 -0.177 0.000 1.137 62 R CA 2.300 58.308 56.100 -0.154 0.000 0.944 62 R CB -0.168 30.061 30.300 -0.119 0.000 0.857 62 R HN 0.624 nan 8.270 nan 0.000 0.435 63 K N -0.454 119.875 120.400 -0.119 0.000 2.280 63 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 63 K C 1.668 178.256 176.600 -0.019 0.000 1.047 63 K CA 1.541 57.783 56.287 -0.074 0.000 0.942 63 K CB 0.088 32.582 32.500 -0.010 0.000 0.739 63 K HN 0.119 nan 8.250 nan 0.000 0.457 64 V N 0.722 120.584 119.914 -0.087 0.000 2.436 64 V HA -0.108 4.012 4.120 -0.000 0.000 0.240 64 V C 2.078 178.084 176.094 -0.146 0.000 1.040 64 V CA 0.829 63.079 62.300 -0.083 0.000 1.052 64 V CB 0.454 32.145 31.823 -0.221 0.000 0.707 64 V HN 0.239 nan 8.190 nan 0.000 0.469 65 V N 2.455 122.208 119.914 -0.269 0.000 2.913 65 V HA -0.199 3.921 4.120 -0.000 0.000 0.260 65 V C 2.725 178.620 176.094 -0.331 0.000 1.098 65 V CA 2.095 64.214 62.300 -0.302 0.000 1.121 65 V CB -0.697 30.947 31.823 -0.299 0.000 0.714 65 V HN 0.713 nan 8.190 nan 0.000 0.487 66 R N -1.056 119.183 120.500 -0.435 0.000 2.193 66 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 66 R C 1.722 177.508 176.300 -0.857 0.000 1.110 66 R CA 2.035 57.674 56.100 -0.769 0.000 0.988 66 R CB -0.656 28.969 30.300 -1.125 0.000 0.871 66 R HN 0.515 nan 8.270 nan 0.000 0.458 67 F N 0.808 120.531 119.950 -0.377 0.000 2.727 67 F HA 0.355 4.882 4.527 -0.000 0.000 0.302 67 F C 0.827 176.480 175.800 -0.245 0.000 1.097 67 F CA -0.342 57.524 58.000 -0.224 0.000 1.330 67 F CB 0.271 39.205 39.000 -0.110 0.000 1.084 67 F HN -0.124 nan 8.300 nan 0.000 0.578 68 M N -0.079 119.424 119.600 -0.161 0.000 2.367 68 M HA 0.342 4.822 4.480 -0.000 0.000 0.339 68 M C 0.381 176.486 176.300 -0.323 0.000 1.177 68 M CA -0.626 54.554 55.300 -0.200 0.000 1.068 68 M CB 1.633 34.120 32.600 -0.189 0.000 1.602 68 M HN -0.021 nan 8.290 nan 0.000 0.457 69 S N -0.434 115.118 115.700 -0.247 0.000 2.745 69 S HA 0.354 4.824 4.470 -0.000 0.000 0.292 69 S C 0.322 174.828 174.600 -0.157 0.000 1.133 69 S CA -0.815 57.273 58.200 -0.187 0.000 0.998 69 S CB 1.183 64.354 63.200 -0.048 0.000 1.087 69 S HN 0.676 nan 8.310 nan 0.000 0.551 70 D N 1.086 121.398 120.400 -0.146 0.000 2.123 70 D HA -0.078 4.562 4.640 -0.000 0.000 0.196 70 D C 2.198 178.161 176.300 -0.562 0.000 0.992 70 D CA 1.858 55.587 54.000 -0.452 0.000 0.833 70 D CB -0.859 39.674 40.800 -0.445 0.000 0.954 70 D HN 0.683 nan 8.370 nan 0.000 0.455 71 A N 0.539 123.234 122.820 -0.209 0.000 1.883 71 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 71 A C 2.475 180.045 177.584 -0.024 0.000 1.186 71 A CA 2.140 54.152 52.037 -0.041 0.000 0.624 71 A CB -0.652 18.366 19.000 0.029 0.000 0.822 71 A HN 0.194 nan 8.150 nan 0.000 0.444 72 S N -0.287 115.386 115.700 -0.046 0.000 2.382 72 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 72 S C 1.801 176.418 174.600 0.029 0.000 1.027 72 S CA 1.385 59.590 58.200 0.009 0.000 0.991 72 S CB -0.478 62.714 63.200 -0.014 0.000 0.823 72 S HN 0.534 nan 8.310 nan 0.000 0.469 73 I N 0.336 120.843 120.570 -0.104 0.000 2.179 73 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 73 I C 2.053 178.222 176.117 0.086 0.000 1.088 73 I CA 1.308 62.558 61.300 -0.084 0.000 1.357 73 I CB -0.414 37.443 38.000 -0.239 0.000 1.051 73 I HN 0.259 nan 8.210 nan 0.000 0.409 74 Y N 0.833 121.166 120.300 0.055 0.000 2.181 74 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 74 Y C 2.668 178.602 175.900 0.056 0.000 1.146 74 Y CA 0.771 58.896 58.100 0.041 0.000 1.164 74 Y CB -1.316 37.144 38.460 0.000 0.000 0.982 74 Y HN 0.122 nan 8.280 nan 0.000 0.515 75 A N -0.566 122.384 122.820 0.217 0.000 1.930 75 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 75 A C 2.202 179.871 177.584 0.141 0.000 1.175 75 A CA 1.270 53.386 52.037 0.132 0.000 0.627 75 A CB -1.317 17.743 19.000 0.099 0.000 0.815 75 A HN 0.442 nan 8.150 nan 0.000 0.443 76 F N 0.631 120.626 119.950 0.075 0.000 2.102 76 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 76 F C 1.921 177.800 175.800 0.132 0.000 1.105 76 F CA 1.768 59.853 58.000 0.142 0.000 1.239 76 F CB -0.164 38.900 39.000 0.106 0.000 0.991 76 F HN 0.138 nan 8.300 nan 0.000 0.474 77 L N -0.732 120.701 121.223 0.350 0.000 2.046 77 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 77 L C 2.506 179.412 176.870 0.059 0.000 1.077 77 L CA 1.386 56.359 54.840 0.221 0.000 0.747 77 L CB -0.968 41.223 42.059 0.220 0.000 0.896 77 L HN 0.073 nan 8.230 nan 0.000 0.432 78 S N -0.375 115.348 115.700 0.039 0.000 2.382 78 S HA -0.212 4.258 4.470 -0.000 0.000 0.228 78 S C 1.930 176.458 174.600 -0.119 0.000 1.027 78 S CA 1.547 59.729 58.200 -0.029 0.000 0.991 78 S CB -0.214 62.971 63.200 -0.024 0.000 0.823 78 S HN 0.355 nan 8.310 nan 0.000 0.469 79 M N 1.387 120.856 119.600 -0.218 0.000 2.132 79 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 79 M C 1.959 177.966 176.300 -0.489 0.000 1.065 79 M CA 1.407 56.428 55.300 -0.465 0.000 1.122 79 M CB -0.139 31.974 32.600 -0.810 0.000 1.365 79 M HN 0.229 nan 8.290 nan 0.000 0.411 80 E N -0.154 119.848 120.200 -0.330 0.000 2.085 80 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 80 E C 2.047 178.582 176.600 -0.109 0.000 0.994 80 E CA 1.653 57.951 56.400 -0.171 0.000 0.801 80 E CB -0.177 29.502 29.700 -0.035 0.000 0.743 80 E HN 0.678 nan 8.360 nan 0.000 0.453 81 Q N 0.092 119.845 119.800 -0.078 0.000 2.050 81 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 81 Q C 2.256 178.233 176.000 -0.039 0.000 0.980 81 Q CA 1.386 57.169 55.803 -0.034 0.000 0.840 81 Q CB -0.190 28.538 28.738 -0.017 0.000 0.898 81 Q HN 0.233 nan 8.270 nan 0.000 0.424 82 A N 0.831 123.605 122.820 -0.077 0.000 1.902 82 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 82 A C 2.029 179.599 177.584 -0.023 0.000 1.181 82 A CA 1.221 53.233 52.037 -0.042 0.000 0.623 82 A CB -0.658 18.312 19.000 -0.050 0.000 0.818 82 A HN 0.318 nan 8.150 nan 0.000 0.443 83 I N -0.426 120.075 120.570 -0.116 0.000 2.226 83 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 83 I C 2.954 179.061 176.117 -0.016 0.000 1.100 83 I CA 1.092 62.324 61.300 -0.115 0.000 1.374 83 I CB -0.299 37.506 38.000 -0.324 0.000 1.057 83 I HN 0.364 nan 8.210 nan 0.000 0.413 84 A N 0.153 122.968 122.820 -0.009 0.000 1.930 84 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 84 A C 1.986 179.596 177.584 0.043 0.000 1.175 84 A CA 2.115 54.169 52.037 0.028 0.000 0.627 84 A CB -0.619 18.396 19.000 0.026 0.000 0.815 84 A HN 0.429 nan 8.150 nan 0.000 0.443 85 D N -0.119 120.312 120.400 0.052 0.000 2.144 85 D HA 0.007 4.647 4.640 -0.000 0.000 0.200 85 D C 1.861 178.229 176.300 0.113 0.000 0.978 85 D CA 1.399 55.455 54.000 0.093 0.000 0.833 85 D CB -0.152 40.729 40.800 0.134 0.000 0.961 85 D HN 0.323 nan 8.370 nan 0.000 0.470 86 A N -0.656 122.223 122.820 0.097 0.000 2.119 86 A HA 0.357 4.677 4.320 -0.000 0.000 0.216 86 A C 1.864 179.493 177.584 0.076 0.000 1.152 86 A CA 1.136 53.229 52.037 0.094 0.000 0.708 86 A CB -0.604 18.433 19.000 0.062 0.000 0.805 86 A HN 0.490 nan 8.150 nan 0.000 0.460 87 G N -1.065 107.776 108.800 0.068 0.000 2.176 87 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.252 87 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.252 87 G C -0.064 174.888 174.900 0.086 0.000 1.024 87 G CA 0.332 45.471 45.100 0.065 0.000 0.755 87 G HN 0.454 nan 8.290 nan 0.000 0.507 88 L N 1.486 122.776 121.223 0.110 0.000 2.292 88 L HA 0.579 4.919 4.340 -0.000 0.000 0.284 88 L C 1.105 178.127 176.870 0.254 0.000 1.065 88 L CA -0.207 54.743 54.840 0.184 0.000 0.806 88 L CB 1.572 43.753 42.059 0.204 0.000 1.175 88 L HN 0.414 nan 8.230 nan 0.000 0.431 89 S N 2.038 117.878 115.700 0.233 0.000 2.654 89 S HA 0.464 4.934 4.470 -0.000 0.000 0.283 89 S C -2.071 172.609 174.600 0.134 0.000 1.180 89 S CA -1.417 56.891 58.200 0.180 0.000 1.021 89 S CB 1.770 65.021 63.200 0.085 0.000 1.018 89 S HN 0.338 nan 8.310 nan 0.000 0.532 90 P HA -0.120 nan 4.420 nan 0.000 0.216 90 P C 0.848 177.934 177.300 -0.357 0.000 1.153 90 P CA 1.333 64.189 63.100 -0.407 0.000 0.858 90 P CB -0.045 31.540 31.700 -0.192 0.000 0.789 91 E N -0.866 119.246 120.200 -0.147 0.000 2.265 91 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 91 E C 1.937 178.495 176.600 -0.071 0.000 0.996 91 E CA 1.322 57.662 56.400 -0.100 0.000 0.832 91 E CB -0.682 28.992 29.700 -0.044 0.000 0.756 91 E HN 0.244 nan 8.360 nan 0.000 0.491 92 A N 0.003 122.805 122.820 -0.031 0.000 1.956 92 A HA -0.026 4.294 4.320 -0.000 0.000 0.212 92 A C 1.811 179.462 177.584 0.112 0.000 1.188 92 A CA 0.840 52.917 52.037 0.066 0.000 0.675 92 A CB -0.329 18.756 19.000 0.142 0.000 0.845 92 A HN 0.469 nan 8.150 nan 0.000 0.455 93 Y N -0.952 119.393 120.300 0.074 0.000 2.462 93 Y HA 0.435 4.985 4.550 -0.000 0.000 0.253 93 Y C 0.757 176.691 175.900 0.056 0.000 1.095 93 Y CA -0.579 57.580 58.100 0.098 0.000 1.283 93 Y CB -0.247 38.343 38.460 0.216 0.000 1.138 93 Y HN 0.184 nan 8.280 nan 0.000 0.522 94 Q N 1.970 121.469 119.800 -0.502 0.000 2.306 94 Q HA 0.159 4.499 4.340 -0.000 0.000 0.241 94 Q C -0.173 175.647 176.000 -0.301 0.000 0.948 94 Q CA -0.309 55.270 55.803 -0.374 0.000 0.886 94 Q CB 0.467 28.923 28.738 -0.470 0.000 1.227 94 Q HN 0.464 nan 8.270 nan 0.000 0.457 95 N N 1.685 120.088 118.700 -0.495 0.000 2.708 95 N HA -0.225 4.515 4.740 -0.000 0.000 0.251 95 N C -0.880 174.422 175.510 -0.346 0.000 1.017 95 N CA 0.122 52.641 53.050 -0.884 0.000 0.742 95 N CB -0.576 37.645 38.487 -0.442 0.000 0.943 95 N HN 0.474 nan 8.380 nan 0.000 0.539 96 N N 0.153 118.751 118.700 -0.171 0.000 2.483 96 N HA 0.276 5.016 4.740 -0.000 0.000 0.267 96 N C -2.067 173.498 175.510 0.093 0.000 0.998 96 N CA -2.099 50.956 53.050 0.009 0.000 0.918 96 N CB 1.630 40.132 38.487 0.025 0.000 1.215 96 N HN -0.162 nan 8.380 nan 0.000 0.500 97 P HA -0.019 nan 4.420 nan 0.000 0.221 97 P C 0.744 178.082 177.300 0.064 0.000 1.145 97 P CA 0.884 64.054 63.100 0.117 0.000 0.795 97 P CB 0.398 32.152 31.700 0.090 0.000 0.775 98 R N -1.027 119.498 120.500 0.041 0.000 2.310 98 R HA 0.170 4.510 4.340 -0.000 0.000 0.202 98 R C 0.015 176.293 176.300 -0.036 0.000 0.933 98 R CA 0.161 56.260 56.100 -0.003 0.000 1.054 98 R CB -0.172 30.122 30.300 -0.011 0.000 0.985 98 R HN 0.152 nan 8.270 nan 0.000 0.489 99 V N 0.426 120.346 119.914 0.010 0.000 2.409 99 V HA 0.610 4.730 4.120 -0.000 0.000 0.291 99 V C 0.519 176.645 176.094 0.053 0.000 1.020 99 V CA -0.762 61.544 62.300 0.010 0.000 0.848 99 V CB 1.643 33.532 31.823 0.111 0.000 0.990 99 V HN 0.259 nan 8.190 nan 0.000 0.430 100 G N 3.273 112.071 108.800 -0.004 0.000 3.013 100 G HA2 0.840 4.800 3.960 -0.000 0.000 0.278 100 G HA3 0.840 4.800 3.960 -0.000 0.000 0.278 100 G C -1.679 173.243 174.900 0.037 0.000 1.353 100 G CA -0.773 44.329 45.100 0.003 0.000 1.043 100 G HN 0.688 nan 8.290 nan 0.000 0.523 101 L N -0.379 120.821 121.223 -0.038 0.000 2.505 101 L HA 0.706 5.046 4.340 -0.000 0.000 0.266 101 L C -1.539 175.229 176.870 -0.170 0.000 0.954 101 L CA -0.707 54.119 54.840 -0.024 0.000 0.852 101 L CB 1.836 43.911 42.059 0.026 0.000 1.282 101 L HN 0.436 nan 8.230 nan 0.000 0.403 102 I N 5.226 125.710 120.570 -0.145 0.000 2.503 102 I HA 0.752 4.922 4.170 -0.000 0.000 0.282 102 I C -0.614 175.468 176.117 -0.059 0.000 1.059 102 I CA -0.306 60.890 61.300 -0.173 0.000 1.081 102 I CB 1.762 39.648 38.000 -0.189 0.000 1.210 102 I HN 0.683 nan 8.210 nan 0.000 0.450 103 A N 4.241 127.050 122.820 -0.018 0.000 2.547 103 A HA 0.962 5.282 4.320 -0.000 0.000 0.297 103 A C -0.722 176.885 177.584 0.038 0.000 1.056 103 A CA -0.398 51.643 52.037 0.006 0.000 0.688 103 A CB 1.903 20.901 19.000 -0.004 0.000 1.282 103 A HN 0.764 nan 8.150 nan 0.000 0.400 104 G N -0.289 108.536 108.800 0.042 0.000 2.827 104 G HA2 0.837 4.797 3.960 -0.000 0.000 0.296 104 G HA3 0.837 4.797 3.960 -0.000 0.000 0.296 104 G C -0.525 174.404 174.900 0.048 0.000 1.362 104 G CA 0.209 45.343 45.100 0.057 0.000 0.809 104 G HN 1.904 nan 8.290 nan 0.000 0.522 105 S N -2.011 113.722 115.700 0.056 0.000 2.632 105 S HA 0.678 5.148 4.470 -0.000 0.000 0.289 105 S C 1.031 175.668 174.600 0.061 0.000 1.115 105 S CA 0.250 58.482 58.200 0.052 0.000 0.889 105 S CB 1.543 64.777 63.200 0.057 0.000 1.116 105 S HN 1.494 nan 8.310 nan 0.000 0.486 106 G N -0.270 108.567 108.800 0.061 0.000 2.430 106 G HA2 0.360 4.320 3.960 -0.000 0.000 0.216 106 G HA3 0.360 4.320 3.960 -0.000 0.000 0.216 106 G C 0.789 175.748 174.900 0.099 0.000 1.146 106 G CA 0.327 45.475 45.100 0.080 0.000 0.793 106 G HN 1.342 nan 8.290 nan 0.000 0.537 107 G N -1.251 107.608 108.800 0.097 0.000 4.299 107 G HA2 0.496 4.456 3.960 -0.000 0.000 0.290 107 G HA3 0.496 4.456 3.960 -0.000 0.000 0.290 107 G C 0.956 175.905 174.900 0.082 0.000 1.019 107 G CA 0.793 45.951 45.100 0.097 0.000 0.790 107 G HN 1.039 nan 8.290 nan 0.000 0.452 108 G N 0.691 109.536 108.800 0.076 0.000 2.646 108 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.324 108 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.324 108 G C 0.503 175.451 174.900 0.079 0.000 1.195 108 G CA 0.908 46.051 45.100 0.072 0.000 0.976 108 G HN 1.607 nan 8.290 nan 0.000 0.546 109 S N 1.325 117.082 115.700 0.095 0.000 2.496 109 S HA 0.643 5.113 4.470 -0.000 0.000 0.221 109 S C -1.463 173.199 174.600 0.104 0.000 1.260 109 S CA 0.004 58.278 58.200 0.124 0.000 1.181 109 S CB 1.860 65.190 63.200 0.217 0.000 1.136 109 S HN 0.251 nan 8.310 nan 0.000 0.467 110 P HA -0.067 nan 4.420 nan 0.000 0.218 110 P C 1.488 178.747 177.300 -0.068 0.000 1.149 110 P CA 0.591 63.683 63.100 -0.012 0.000 0.817 110 P CB 0.147 31.822 31.700 -0.042 0.000 0.785 111 R N -0.904 119.540 120.500 -0.094 0.000 2.073 111 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 111 R C 1.844 178.021 176.300 -0.205 0.000 1.134 111 R CA 1.655 57.625 56.100 -0.216 0.000 0.952 111 R CB -0.921 29.209 30.300 -0.283 0.000 0.850 111 R HN 0.094 nan 8.270 nan 0.000 0.433 112 F N 0.439 120.411 119.950 0.037 0.000 2.456 112 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 112 F C 2.523 178.424 175.800 0.168 0.000 1.104 112 F CA 0.856 58.929 58.000 0.122 0.000 1.435 112 F CB -0.095 38.940 39.000 0.059 0.000 1.078 112 F HN 0.176 nan 8.300 nan 0.000 0.546 113 Q N 0.621 120.551 119.800 0.216 0.000 2.079 113 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 113 Q C 2.050 178.103 176.000 0.090 0.000 0.974 113 Q CA 1.783 57.671 55.803 0.141 0.000 0.840 113 Q CB -0.604 28.186 28.738 0.087 0.000 0.898 113 Q HN 0.252 nan 8.270 nan 0.000 0.430 114 V N 0.748 120.689 119.914 0.045 0.000 2.427 114 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 114 V C 2.023 178.140 176.094 0.038 0.000 1.051 114 V CA 1.657 63.964 62.300 0.012 0.000 1.048 114 V CB -0.825 30.964 31.823 -0.057 0.000 0.666 114 V HN 0.448 nan 8.190 nan 0.000 0.456 115 F N 2.252 122.169 119.950 -0.056 0.000 2.102 115 F HA -0.058 4.469 4.527 0.000 0.000 0.298 115 F C 2.172 177.989 175.800 0.028 0.000 1.105 115 F CA 1.771 59.747 58.000 -0.040 0.000 1.239 115 F CB -0.921 38.009 39.000 -0.118 0.000 0.991 115 F HN 0.131 nan 8.300 nan 0.000 0.474 116 G N -0.112 108.657 108.800 -0.051 0.000 2.446 116 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 116 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 116 G C 1.825 176.621 174.900 -0.172 0.000 1.168 116 G CA 1.018 46.040 45.100 -0.131 0.000 0.771 116 G HN 0.654 nan 8.290 nan 0.000 0.551 117 A N 0.911 123.679 122.820 -0.087 0.000 1.898 117 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 117 A C 2.116 179.641 177.584 -0.098 0.000 1.181 117 A CA 2.128 54.126 52.037 -0.066 0.000 0.620 117 A CB -0.426 18.561 19.000 -0.021 0.000 0.819 117 A HN 0.280 nan 8.150 nan 0.000 0.442 118 D N 0.102 120.428 120.400 -0.124 0.000 2.117 118 D HA -0.043 4.596 4.640 -0.000 0.000 0.197 118 D C 2.251 178.443 176.300 -0.179 0.000 0.987 118 D CA 1.583 55.515 54.000 -0.113 0.000 0.829 118 D CB -0.444 40.312 40.800 -0.072 0.000 0.961 118 D HN 0.409 nan 8.370 nan 0.000 0.460 119 A N 0.593 123.199 122.820 -0.356 0.000 1.877 119 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 119 A C 2.150 179.620 177.584 -0.189 0.000 1.186 119 A CA 1.793 53.618 52.037 -0.353 0.000 0.620 119 A CB -0.584 18.017 19.000 -0.665 0.000 0.822 119 A HN 0.167 nan 8.150 nan 0.000 0.443 120 M N 0.017 119.517 119.600 -0.167 0.000 2.149 120 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 120 M C 1.880 178.142 176.300 -0.064 0.000 1.064 120 M CA 1.565 56.810 55.300 -0.092 0.000 1.102 120 M CB -0.467 32.091 32.600 -0.070 0.000 1.369 120 M HN 0.372 nan 8.290 nan 0.000 0.408 121 R N -0.020 120.442 120.500 -0.064 0.000 2.316 121 R HA 0.136 4.476 4.340 -0.000 0.000 0.202 121 R C 1.114 177.393 176.300 -0.035 0.000 1.029 121 R CA 0.381 56.457 56.100 -0.040 0.000 1.018 121 R CB -0.556 29.725 30.300 -0.031 0.000 0.888 121 R HN 0.491 nan 8.270 nan 0.000 0.471 122 G N 0.960 109.732 108.800 -0.047 0.000 2.588 122 G HA2 0.140 4.100 3.960 -0.000 0.000 0.281 122 G HA3 0.140 4.100 3.960 -0.000 0.000 0.281 122 G C -1.763 173.122 174.900 -0.025 0.000 1.236 122 G CA -1.067 44.013 45.100 -0.034 0.000 0.969 122 G HN -0.119 nan 8.290 nan 0.000 0.504 123 P HA -0.034 nan 4.420 nan 0.000 0.218 123 P C 1.697 178.991 177.300 -0.010 0.000 1.148 123 P CA 0.910 64.004 63.100 -0.010 0.000 0.822 123 P CB 0.189 31.886 31.700 -0.005 0.000 0.784 124 R N -1.203 119.290 120.500 -0.012 0.000 2.297 124 R HA 0.193 4.533 4.340 -0.000 0.000 0.197 124 R C 1.692 177.982 176.300 -0.016 0.000 0.943 124 R CA 0.527 56.622 56.100 -0.009 0.000 1.038 124 R CB -0.674 29.626 30.300 -0.001 0.000 0.957 124 R HN 0.151 nan 8.270 nan 0.000 0.484 125 G N 2.283 111.067 108.800 -0.026 0.000 2.698 125 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.337 125 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.337 125 G C 0.918 175.798 174.900 -0.033 0.000 1.286 125 G CA 0.746 45.826 45.100 -0.032 0.000 1.000 125 G HN 0.247 nan 8.290 nan 0.000 0.547 126 L N 0.515 121.724 121.223 -0.023 0.000 2.081 126 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 126 L C 2.991 179.855 176.870 -0.010 0.000 1.080 126 L CA 2.280 57.109 54.840 -0.018 0.000 0.754 126 L CB -0.489 41.561 42.059 -0.014 0.000 0.893 126 L HN 0.517 nan 8.230 nan 0.000 0.433 127 K N -0.139 120.257 120.400 -0.006 0.000 2.211 127 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 127 K C 2.097 178.710 176.600 0.022 0.000 1.050 127 K CA 1.150 57.439 56.287 0.005 0.000 0.945 127 K CB -0.148 32.355 32.500 0.005 0.000 0.732 127 K HN 0.303 nan 8.250 nan 0.000 0.451 128 A N 0.757 123.583 122.820 0.009 0.000 2.072 128 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 128 A C 2.213 179.816 177.584 0.031 0.000 1.156 128 A CA 0.526 52.575 52.037 0.021 0.000 0.701 128 A CB -0.093 18.889 19.000 -0.030 0.000 0.816 128 A HN 0.026 nan 8.150 nan 0.000 0.458 129 V N -0.461 119.451 119.914 -0.004 0.000 2.323 129 V HA 0.254 4.374 4.120 -0.000 0.000 0.244 129 V C 1.566 177.776 176.094 0.193 0.000 1.041 129 V CA 1.193 63.511 62.300 0.030 0.000 1.025 129 V CB -1.697 30.122 31.823 -0.007 0.000 0.656 129 V HN 1.151 nan 8.190 nan 0.000 0.451 130 G N 0.797 109.655 108.800 0.096 0.000 2.746 130 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.685 130 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.685 130 G C -1.973 172.903 174.900 -0.041 0.000 1.350 130 G CA -0.098 45.034 45.100 0.052 0.000 0.837 130 G HN 0.311 nan 8.290 nan 0.000 0.564 131 P HA 0.310 nan 4.420 nan 0.000 0.259 131 P C -0.159 176.880 177.300 -0.435 0.000 1.530 131 P CA 0.347 63.244 63.100 -0.339 0.000 1.022 131 P CB -0.052 31.393 31.700 -0.426 0.000 1.514 132 Y N -1.724 118.565 120.300 -0.017 0.000 2.527 132 Y HA 0.122 4.672 4.550 -0.000 0.000 0.247 132 Y C 2.142 178.016 175.900 -0.044 0.000 1.138 132 Y CA -0.151 57.901 58.100 -0.080 0.000 1.228 132 Y CB -0.085 38.222 38.460 -0.256 0.000 1.252 132 Y HN -0.269 nan 8.280 nan 0.000 0.531 133 V N -1.178 118.829 119.914 0.154 0.000 2.548 133 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 133 V C 2.067 178.231 176.094 0.118 0.000 1.055 133 V CA 1.558 63.956 62.300 0.163 0.000 1.065 133 V CB -0.698 31.283 31.823 0.263 0.000 0.681 133 V HN 0.208 nan 8.190 nan 0.000 0.462 134 V N 1.261 121.241 119.914 0.110 0.000 2.255 134 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 134 V C 2.844 178.989 176.094 0.086 0.000 1.051 134 V CA 2.681 65.037 62.300 0.092 0.000 1.018 134 V CB -1.410 30.461 31.823 0.080 0.000 0.641 134 V HN 0.806 nan 8.190 nan 0.000 0.445 135 T N -1.920 112.705 114.554 0.117 0.000 2.962 135 T HA -0.183 4.167 4.350 -0.000 0.000 0.270 135 T C 1.727 176.449 174.700 0.037 0.000 1.088 135 T CA 1.377 63.536 62.100 0.100 0.000 1.127 135 T CB -0.271 68.715 68.868 0.197 0.000 0.883 135 T HN 0.482 nan 8.240 nan 0.000 0.493 136 K N 0.955 121.341 120.400 -0.023 0.000 2.137 136 K HA 0.344 4.664 4.320 -0.000 0.000 0.202 136 K C 2.637 179.230 176.600 -0.011 0.000 1.052 136 K CA 0.941 57.141 56.287 -0.145 0.000 0.961 136 K CB -0.137 32.052 32.500 -0.518 0.000 0.741 136 K HN 0.421 nan 8.250 nan 0.000 0.452 137 A N 1.751 124.609 122.820 0.063 0.000 2.044 137 A HA 0.092 4.412 4.320 -0.000 0.000 0.213 137 A C 1.179 178.811 177.584 0.079 0.000 1.169 137 A CA -0.109 51.992 52.037 0.108 0.000 0.724 137 A CB -0.388 18.699 19.000 0.144 0.000 0.840 137 A HN 0.301 nan 8.150 nan 0.000 0.463 138 M N -1.451 118.188 119.600 0.065 0.000 2.252 138 M HA 0.412 4.892 4.480 -0.000 0.000 0.329 138 M C 1.008 177.341 176.300 0.056 0.000 1.101 138 M CA 0.449 55.783 55.300 0.057 0.000 1.117 138 M CB 0.313 32.944 32.600 0.051 0.000 1.563 138 M HN 0.076 nan 8.290 nan 0.000 0.445 139 A N 2.175 125.029 122.820 0.056 0.000 1.978 139 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 139 A C 2.159 179.780 177.584 0.061 0.000 1.170 139 A CA 2.077 54.150 52.037 0.059 0.000 0.636 139 A CB -1.028 18.006 19.000 0.058 0.000 0.810 139 A HN 1.032 nan 8.150 nan 0.000 0.448 140 S N -0.594 115.142 115.700 0.059 0.000 2.650 140 S HA 0.223 4.693 4.470 -0.000 0.000 0.219 140 S C 1.730 176.363 174.600 0.055 0.000 0.960 140 S CA 0.719 58.958 58.200 0.065 0.000 0.925 140 S CB -0.626 62.616 63.200 0.069 0.000 0.775 140 S HN 0.641 nan 8.310 nan 0.000 0.525 141 G N 2.188 111.016 108.800 0.048 0.000 2.513 141 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 141 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 141 G C 1.331 176.255 174.900 0.041 0.000 1.160 141 G CA 1.292 46.414 45.100 0.037 0.000 0.767 141 G HN 0.500 nan 8.290 nan 0.000 0.571 142 V N 1.681 121.624 119.914 0.048 0.000 2.343 142 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 142 V C 3.258 179.389 176.094 0.062 0.000 1.051 142 V CA 2.510 64.844 62.300 0.056 0.000 1.036 142 V CB -0.473 31.381 31.823 0.053 0.000 0.654 142 V HN 0.648 nan 8.190 nan 0.000 0.451 143 S N 0.713 116.446 115.700 0.056 0.000 2.377 143 S HA -0.027 4.443 4.470 -0.000 0.000 0.223 143 S C 2.153 176.785 174.600 0.054 0.000 1.030 143 S CA 1.021 59.250 58.200 0.048 0.000 0.970 143 S CB -0.495 62.731 63.200 0.043 0.000 0.830 143 S HN 0.533 nan 8.310 nan 0.000 0.473 144 A N 1.134 123.983 122.820 0.048 0.000 1.883 144 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 144 A C 2.400 179.999 177.584 0.025 0.000 1.186 144 A CA 1.686 53.741 52.037 0.029 0.000 0.624 144 A CB -1.577 17.430 19.000 0.012 0.000 0.822 144 A HN 0.703 nan 8.150 nan 0.000 0.444 145 C N -1.274 118.050 119.300 0.040 0.000 2.449 145 C HA 0.136 4.596 4.460 -0.000 0.000 0.283 145 C C 2.284 177.365 174.990 0.152 0.000 1.453 145 C CA 0.753 59.802 59.018 0.051 0.000 1.779 145 C CB -1.358 26.406 27.740 0.040 0.000 1.779 145 C HN 0.533 nan 8.230 nan 0.000 0.546 146 L N 0.298 121.637 121.223 0.193 0.000 2.433 146 L HA 0.270 4.610 4.340 -0.000 0.000 0.200 146 L C 2.631 179.687 176.870 0.310 0.000 1.059 146 L CA 1.538 56.585 54.840 0.344 0.000 0.835 146 L CB -1.165 41.041 42.059 0.244 0.000 1.076 146 L HN 0.137 nan 8.230 nan 0.000 0.481 147 A N -0.835 122.083 122.820 0.162 0.000 1.940 147 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 147 A C 2.297 179.963 177.584 0.136 0.000 1.176 147 A CA 2.507 54.626 52.037 0.136 0.000 0.631 147 A CB -1.002 18.046 19.000 0.080 0.000 0.814 147 A HN 0.415 nan 8.150 nan 0.000 0.446 148 T N 0.347 114.953 114.554 0.085 0.000 2.668 148 T HA -0.069 4.281 4.350 -0.000 0.000 0.262 148 T C -0.045 174.674 174.700 0.030 0.000 1.045 148 T CA 1.683 63.804 62.100 0.036 0.000 1.152 148 T CB -1.058 67.784 68.868 -0.042 0.000 0.864 148 T HN 0.516 nan 8.240 nan 0.000 0.419 149 P HA -0.006 nan 4.420 nan 0.000 0.221 149 P C 0.844 178.055 177.300 -0.148 0.000 1.150 149 P CA 1.076 64.126 63.100 -0.083 0.000 0.800 149 P CB -0.275 31.370 31.700 -0.091 0.000 0.787 150 F N 0.464 120.452 119.950 0.063 0.000 2.804 150 F HA 0.145 4.672 4.527 -0.000 0.000 0.303 150 F C 0.851 176.692 175.800 0.070 0.000 1.154 150 F CA -0.011 58.022 58.000 0.055 0.000 1.401 150 F CB -0.248 38.710 39.000 -0.071 0.000 1.106 150 F HN -0.229 nan 8.300 nan 0.000 0.568 151 K N 0.532 121.020 120.400 0.146 0.000 3.148 151 K HA -0.201 4.119 4.320 -0.000 0.000 0.267 151 K C -0.421 176.213 176.600 0.057 0.000 0.996 151 K CA 0.352 56.674 56.287 0.059 0.000 0.737 151 K CB -2.283 30.184 32.500 -0.055 0.000 1.308 151 K HN 0.202 nan 8.250 nan 0.000 0.470 152 I N 1.068 121.737 120.570 0.166 0.000 2.496 152 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 152 I C 1.913 178.189 176.117 0.265 0.000 1.080 152 I CA 0.237 61.647 61.300 0.182 0.000 1.404 152 I CB 0.427 38.530 38.000 0.172 0.000 1.403 152 I HN 0.263 nan 8.210 nan 0.000 0.539 153 H N 3.104 122.217 119.070 0.072 0.000 2.874 153 H HA 0.184 4.740 4.556 -0.000 0.000 0.264 153 H C 1.346 176.694 175.328 0.034 0.000 1.007 153 H CA -0.031 56.044 56.048 0.044 0.000 1.207 153 H CB 1.386 31.169 29.762 0.036 0.000 1.487 153 H HN 0.773 nan 8.280 nan 0.000 0.505 154 G N 1.078 109.968 108.800 0.150 0.000 2.735 154 G HA2 0.211 4.171 3.960 -0.000 0.000 0.192 154 G HA3 0.211 4.171 3.960 -0.000 0.000 0.192 154 G C 0.164 175.085 174.900 0.036 0.000 1.547 154 G CA 0.064 45.208 45.100 0.073 0.000 1.080 154 G HN 0.127 nan 8.290 nan 0.000 0.569 155 V N -0.722 119.183 119.914 -0.014 0.000 2.872 155 V HA 0.437 4.556 4.120 -0.000 0.000 0.307 155 V C -0.234 175.764 176.094 -0.161 0.000 1.072 155 V CA -0.218 62.036 62.300 -0.076 0.000 1.148 155 V CB 1.083 32.809 31.823 -0.163 0.000 0.954 155 V HN 0.769 nan 8.190 nan 0.000 0.490 156 N N 3.467 122.063 118.700 -0.175 0.000 2.599 156 N HA 0.529 5.269 4.740 -0.000 0.000 0.283 156 N C -1.182 174.315 175.510 -0.022 0.000 1.160 156 N CA -0.525 52.447 53.050 -0.132 0.000 0.869 156 N CB 1.172 39.663 38.487 0.006 0.000 1.448 156 N HN 1.042 nan 8.380 nan 0.000 0.535 157 Y N -1.161 119.157 120.300 0.031 0.000 2.810 157 Y HA 0.607 5.157 4.550 -0.000 0.000 0.355 157 Y C -1.382 174.533 175.900 0.026 0.000 1.211 157 Y CA -1.213 56.902 58.100 0.025 0.000 1.112 157 Y CB 0.297 38.769 38.460 0.019 0.000 1.383 157 Y HN 0.124 nan 8.280 nan 0.000 0.458 158 S N 1.958 117.847 115.700 0.316 0.000 2.537 158 S HA 0.699 5.169 4.470 -0.000 0.000 0.301 158 S C -1.029 173.708 174.600 0.228 0.000 1.092 158 S CA -0.725 57.599 58.200 0.206 0.000 1.048 158 S CB 1.235 64.509 63.200 0.123 0.000 1.053 158 S HN 0.455 nan 8.310 nan 0.000 0.501 159 I N 2.207 122.885 120.570 0.180 0.000 2.412 159 I HA 0.478 4.648 4.170 -0.000 0.000 0.296 159 I C 0.173 176.357 176.117 0.112 0.000 0.987 159 I CA -0.270 61.116 61.300 0.143 0.000 1.180 159 I CB 1.534 39.629 38.000 0.158 0.000 1.340 159 I HN 0.517 nan 8.210 nan 0.000 0.455 160 S N 3.704 119.458 115.700 0.090 0.000 2.594 160 S HA 0.636 5.106 4.470 -0.000 0.000 0.296 160 S C -0.292 174.367 174.600 0.098 0.000 1.124 160 S CA -0.373 57.881 58.200 0.091 0.000 1.011 160 S CB 0.901 64.147 63.200 0.077 0.000 1.016 160 S HN 0.686 nan 8.310 nan 0.000 0.485 161 S N 2.893 118.673 115.700 0.133 0.000 2.607 161 S HA 0.626 5.096 4.470 -0.000 0.000 0.196 161 S C 0.511 175.204 174.600 0.154 0.000 0.911 161 S CA 0.002 58.299 58.200 0.162 0.000 1.133 161 S CB -0.182 63.188 63.200 0.282 0.000 1.612 161 S HN 1.908 nan 8.310 nan 0.000 0.437 162 A N 0.615 123.508 122.820 0.122 0.000 5.483 162 A HA -0.314 4.006 4.320 -0.000 0.000 0.309 162 A C 1.549 179.170 177.584 0.063 0.000 1.898 162 A CA 1.015 53.108 52.037 0.094 0.000 0.716 162 A CB -2.077 16.983 19.000 0.101 0.000 1.309 162 A HN 1.445 nan 8.150 nan 0.000 0.380 163 C N 0.410 119.735 119.300 0.041 0.000 2.511 163 C HA 0.402 4.862 4.460 -0.000 0.000 0.277 163 C C 2.444 177.481 174.990 0.077 0.000 1.451 163 C CA 1.006 60.083 59.018 0.099 0.000 1.735 163 C CB -1.900 26.005 27.740 0.275 0.000 1.704 163 C HN 1.363 nan 8.230 nan 0.000 0.571 164 A N -0.440 122.403 122.820 0.038 0.000 2.390 164 A HA 0.163 4.483 4.320 -0.000 0.000 0.232 164 A C 1.829 179.408 177.584 -0.008 0.000 1.233 164 A CA 0.553 52.556 52.037 -0.057 0.000 0.907 164 A CB -0.478 18.467 19.000 -0.093 0.000 0.967 164 A HN 0.413 nan 8.150 nan 0.000 0.512 165 T N 1.546 116.143 114.554 0.071 0.000 2.531 165 T HA -0.273 4.077 4.350 -0.000 0.000 0.261 165 T C 2.325 177.057 174.700 0.053 0.000 1.141 165 T CA 2.789 64.946 62.100 0.095 0.000 1.176 165 T CB -0.543 68.362 68.868 0.062 0.000 0.863 165 T HN 0.824 nan 8.240 nan 0.000 0.424 166 S N 1.743 117.438 115.700 -0.009 0.000 2.442 166 S HA 0.063 4.533 4.470 -0.000 0.000 0.236 166 S C 2.298 176.856 174.600 -0.070 0.000 1.007 166 S CA 0.949 59.126 58.200 -0.039 0.000 0.965 166 S CB -0.540 62.618 63.200 -0.070 0.000 0.773 166 S HN 0.573 nan 8.310 nan 0.000 0.504 167 A N 1.796 124.554 122.820 -0.102 0.000 1.872 167 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 167 A C 1.945 179.453 177.584 -0.127 0.000 1.187 167 A CA 1.381 53.326 52.037 -0.153 0.000 0.614 167 A CB -1.085 17.781 19.000 -0.223 0.000 0.826 167 A HN 0.695 nan 8.150 nan 0.000 0.442 168 H N -1.662 117.415 119.070 0.013 0.000 2.457 168 H HA -0.116 4.440 4.556 -0.000 0.000 0.294 168 H C 2.161 177.464 175.328 -0.042 0.000 1.064 168 H CA 1.147 57.225 56.048 0.050 0.000 1.330 168 H CB -0.154 29.673 29.762 0.108 0.000 1.395 168 H HN 0.537 nan 8.280 nan 0.000 0.541 169 C N 0.203 119.545 119.300 0.070 0.000 2.432 169 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 169 C C 2.679 177.619 174.990 -0.084 0.000 1.249 169 C CA 0.765 59.792 59.018 0.015 0.000 1.725 169 C CB -0.783 26.960 27.740 0.005 0.000 2.028 169 C HN 0.534 nan 8.230 nan 0.000 0.477 170 I N 1.049 121.534 120.570 -0.141 0.000 2.179 170 I HA -0.122 4.048 4.170 -0.000 0.000 0.242 170 I C 2.735 178.641 176.117 -0.352 0.000 1.088 170 I CA 1.817 62.992 61.300 -0.208 0.000 1.357 170 I CB -0.960 36.922 38.000 -0.197 0.000 1.051 170 I HN 0.451 nan 8.210 nan 0.000 0.409 171 G N 0.499 108.930 108.800 -0.615 0.000 2.440 171 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 171 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 171 G C 1.403 175.884 174.900 -0.698 0.000 1.154 171 G CA 1.328 45.559 45.100 -1.447 0.000 0.767 171 G HN 0.345 nan 8.290 nan 0.000 0.552 172 N N 0.598 119.136 118.700 -0.270 0.000 2.166 172 N HA 0.016 4.756 4.740 -0.000 0.000 0.186 172 N C 2.422 177.902 175.510 -0.050 0.000 1.019 172 N CA 1.387 54.422 53.050 -0.025 0.000 0.856 172 N CB -0.244 38.302 38.487 0.099 0.000 0.993 172 N HN 0.272 nan 8.380 nan 0.000 0.426 173 A N -0.160 122.592 122.820 -0.113 0.000 1.902 173 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 173 A C 2.333 179.848 177.584 -0.115 0.000 1.181 173 A CA 1.430 53.396 52.037 -0.119 0.000 0.623 173 A CB -0.898 18.013 19.000 -0.149 0.000 0.818 173 A HN 0.165 nan 8.150 nan 0.000 0.443 174 V N 0.159 119.985 119.914 -0.146 0.000 2.287 174 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 174 V C 2.417 178.486 176.094 -0.042 0.000 1.053 174 V CA 2.393 64.630 62.300 -0.105 0.000 1.027 174 V CB -0.891 30.855 31.823 -0.128 0.000 0.646 174 V HN 0.655 nan 8.190 nan 0.000 0.447 175 E N -0.596 119.596 120.200 -0.014 0.000 2.110 175 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 175 E C 2.390 179.002 176.600 0.020 0.000 0.988 175 E CA 1.115 57.538 56.400 0.040 0.000 0.804 175 E CB -0.158 29.596 29.700 0.091 0.000 0.745 175 E HN 0.550 nan 8.360 nan 0.000 0.458 176 Q N 0.267 120.069 119.800 0.003 0.000 2.084 176 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 176 Q C 2.270 178.257 176.000 -0.022 0.000 0.978 176 Q CA 1.114 56.916 55.803 -0.002 0.000 0.844 176 Q CB -0.149 28.577 28.738 -0.020 0.000 0.898 176 Q HN 0.431 nan 8.270 nan 0.000 0.426 177 I N 0.556 121.100 120.570 -0.042 0.000 2.286 177 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 177 I C 2.340 178.443 176.117 -0.024 0.000 1.104 177 I CA 0.927 62.197 61.300 -0.049 0.000 1.397 177 I CB -0.260 37.696 38.000 -0.072 0.000 1.072 177 I HN 0.220 nan 8.210 nan 0.000 0.417 178 Q N 0.594 120.388 119.800 -0.010 0.000 2.170 178 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 178 Q C 2.190 178.195 176.000 0.007 0.000 0.976 178 Q CA 1.232 57.037 55.803 0.004 0.000 0.858 178 Q CB -0.094 28.655 28.738 0.019 0.000 0.907 178 Q HN 0.531 nan 8.270 nan 0.000 0.433 179 L N -0.543 120.685 121.223 0.009 0.000 2.552 179 L HA 0.031 4.371 4.340 -0.000 0.000 0.227 179 L C 1.205 178.079 176.870 0.006 0.000 1.146 179 L CA 0.473 55.319 54.840 0.011 0.000 0.858 179 L CB -0.245 41.825 42.059 0.018 0.000 0.969 179 L HN 0.450 nan 8.230 nan 0.000 0.451 180 G N 0.033 108.832 108.800 -0.001 0.000 2.155 180 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 180 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 180 G C 1.026 175.923 174.900 -0.004 0.000 0.983 180 G CA 0.659 45.757 45.100 -0.003 0.000 0.676 180 G HN 0.398 nan 8.290 nan 0.000 0.528 181 K N -0.839 119.558 120.400 -0.004 0.000 2.243 181 K HA 0.098 4.418 4.320 -0.000 0.000 0.201 181 K C 0.970 177.561 176.600 -0.016 0.000 1.051 181 K CA 0.805 57.091 56.287 -0.001 0.000 0.970 181 K CB 0.065 32.572 32.500 0.011 0.000 0.755 181 K HN 0.435 nan 8.250 nan 0.000 0.465 182 Q N -0.294 119.483 119.800 -0.040 0.000 2.421 182 Q HA 0.151 4.491 4.340 -0.000 0.000 0.280 182 Q C -0.490 175.439 176.000 -0.118 0.000 1.085 182 Q CA -0.362 55.397 55.803 -0.074 0.000 0.807 182 Q CB 1.997 30.682 28.738 -0.087 0.000 1.405 182 Q HN -0.040 nan 8.270 nan 0.000 0.419 183 D N 0.219 120.507 120.400 -0.187 0.000 2.324 183 D HA 0.276 4.916 4.640 -0.000 0.000 0.212 183 D C 0.302 176.357 176.300 -0.409 0.000 0.984 183 D CA 0.798 54.601 54.000 -0.328 0.000 0.885 183 D CB 1.364 41.846 40.800 -0.529 0.000 0.996 183 D HN 0.360 nan 8.370 nan 0.000 0.505 184 I N 0.625 120.981 120.570 -0.356 0.000 2.722 184 I HA 0.279 4.449 4.170 -0.000 0.000 0.295 184 I C -1.221 174.675 176.117 -0.368 0.000 1.161 184 I CA -0.808 60.254 61.300 -0.398 0.000 1.032 184 I CB 3.399 41.119 38.000 -0.467 0.000 1.244 184 I HN -0.412 nan 8.210 nan 0.000 0.421 185 V N 5.503 125.164 119.914 -0.422 0.000 2.612 185 V HA 0.371 4.491 4.120 -0.000 0.000 0.301 185 V C -0.835 175.011 176.094 -0.414 0.000 1.059 185 V CA -0.577 61.523 62.300 -0.333 0.000 0.886 185 V CB 1.865 33.563 31.823 -0.208 0.000 1.007 185 V HN 0.388 nan 8.190 nan 0.000 0.426 186 F N 3.539 123.375 119.950 -0.189 0.000 2.445 186 F HA 0.682 5.209 4.527 -0.000 0.000 0.359 186 F C 0.757 176.445 175.800 -0.187 0.000 1.101 186 F CA 0.029 57.899 58.000 -0.217 0.000 1.177 186 F CB 1.137 39.965 39.000 -0.287 0.000 1.110 186 F HN 0.579 nan 8.300 nan 0.000 0.522 187 A N 2.624 125.421 122.820 -0.038 0.000 2.365 187 A HA 0.950 5.270 4.320 -0.000 0.000 0.318 187 A C 0.033 177.577 177.584 -0.066 0.000 1.091 187 A CA 0.089 52.086 52.037 -0.067 0.000 0.763 187 A CB 1.459 20.393 19.000 -0.110 0.000 1.248 187 A HN 1.006 nan 8.150 nan 0.000 0.442 188 G N -0.363 108.403 108.800 -0.058 0.000 2.513 188 G HA2 0.708 4.668 3.960 -0.000 0.000 0.182 188 G HA3 0.708 4.668 3.960 -0.000 0.000 0.182 188 G C -0.108 174.769 174.900 -0.038 0.000 1.190 188 G CA 0.460 45.523 45.100 -0.062 0.000 0.987 188 G HN 2.377 nan 8.290 nan 0.000 0.479 189 G N -2.134 106.648 108.800 -0.030 0.000 2.320 189 G HA2 0.799 4.759 3.960 -0.000 0.000 0.296 189 G HA3 0.799 4.759 3.960 -0.000 0.000 0.296 189 G C -0.509 174.400 174.900 0.015 0.000 1.306 189 G CA 0.749 45.847 45.100 -0.003 0.000 0.836 189 G HN 2.146 nan 8.290 nan 0.000 0.517 190 G N -1.323 107.500 108.800 0.039 0.000 2.677 190 G HA2 0.695 4.655 3.960 -0.000 0.000 0.291 190 G HA3 0.695 4.655 3.960 -0.000 0.000 0.291 190 G C -1.972 172.979 174.900 0.085 0.000 1.435 190 G CA -0.225 44.928 45.100 0.088 0.000 0.826 190 G HN 0.760 nan 8.290 nan 0.000 0.491 191 E N -0.308 119.977 120.200 0.142 0.000 2.347 191 E HA 0.351 4.701 4.350 -0.000 0.000 0.285 191 E C -0.216 176.496 176.600 0.188 0.000 0.925 191 E CA -0.658 55.805 56.400 0.106 0.000 0.779 191 E CB 1.473 31.190 29.700 0.028 0.000 1.233 191 E HN 0.719 nan 8.360 nan 0.000 0.414 192 E N 2.903 123.179 120.200 0.125 0.000 2.369 192 E HA 0.438 4.788 4.350 -0.000 0.000 0.255 192 E C -0.726 175.931 176.600 0.095 0.000 1.172 192 E CA -0.838 55.636 56.400 0.124 0.000 0.932 192 E CB 1.121 30.844 29.700 0.037 0.000 1.040 192 E HN 0.237 nan 8.360 nan 0.000 0.454 193 L N 1.587 122.839 121.223 0.048 0.000 2.376 193 L HA 0.491 4.831 4.340 -0.000 0.000 0.275 193 L C -1.377 175.509 176.870 0.027 0.000 0.987 193 L CA -0.345 54.474 54.840 -0.036 0.000 0.828 193 L CB 1.066 42.939 42.059 -0.310 0.000 1.249 193 L HN 0.958 nan 8.230 nan 0.000 0.409 194 C N 2.128 121.527 119.300 0.164 0.000 3.302 194 C HA 0.398 4.858 4.460 -0.000 0.000 0.347 194 C C 1.017 176.131 174.990 0.206 0.000 1.218 194 C CA -0.925 58.209 59.018 0.194 0.000 1.234 194 C CB 0.467 28.185 27.740 -0.037 0.000 1.551 194 C HN 1.077 nan 8.230 nan 0.000 0.501 195 W N 1.016 122.443 121.300 0.213 0.000 2.374 195 W HA 0.008 4.668 4.660 -0.000 0.000 0.288 195 W C 1.055 177.650 176.519 0.127 0.000 1.218 195 W CA 1.915 59.345 57.345 0.141 0.000 1.245 195 W CB -1.079 28.420 29.460 0.065 0.000 1.126 195 W HN 0.890 nan 8.180 nan 0.000 0.545 196 E N 0.825 120.371 120.200 -1.089 0.000 2.147 196 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 196 E C 2.305 178.731 176.600 -0.290 0.000 1.005 196 E CA 2.854 58.630 56.400 -1.040 0.000 0.810 196 E CB -0.639 28.526 29.700 -0.891 0.000 0.736 196 E HN 0.435 nan 8.360 nan 0.000 0.460 197 M N -0.812 118.733 119.600 -0.091 0.000 2.429 197 M HA 0.144 4.623 4.480 -0.000 0.000 0.265 197 M C 2.079 178.551 176.300 0.287 0.000 1.120 197 M CA 1.157 56.521 55.300 0.106 0.000 1.173 197 M CB 0.142 32.837 32.600 0.158 0.000 1.343 197 M HN 0.124 nan 8.290 nan 0.000 0.464 198 A N 0.570 123.577 122.820 0.311 0.000 1.940 198 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 198 A C 2.353 180.149 177.584 0.354 0.000 1.176 198 A CA 1.891 54.161 52.037 0.389 0.000 0.631 198 A CB -1.811 17.380 19.000 0.320 0.000 0.814 198 A HN 0.884 nan 8.150 nan 0.000 0.446 199 C N -0.943 118.537 119.300 0.299 0.000 2.422 199 C HA -0.048 4.412 4.460 -0.000 0.000 0.279 199 C C 2.170 177.271 174.990 0.185 0.000 1.305 199 C CA 1.193 60.366 59.018 0.258 0.000 1.757 199 C CB -1.441 26.499 27.740 0.333 0.000 1.962 199 C HN 0.577 nan 8.230 nan 0.000 0.499 200 E N 0.731 121.012 120.200 0.135 0.000 2.150 200 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 200 E C 1.708 178.282 176.600 -0.043 0.000 0.985 200 E CA 1.302 57.702 56.400 -0.001 0.000 0.814 200 E CB -0.442 29.182 29.700 -0.126 0.000 0.752 200 E HN 0.789 nan 8.360 nan 0.000 0.466 201 F N 0.486 120.532 119.950 0.161 0.000 2.234 201 F HA -0.071 4.456 4.527 0.000 0.000 0.296 201 F C 2.135 177.994 175.800 0.099 0.000 1.089 201 F CA 1.003 59.109 58.000 0.177 0.000 1.343 201 F CB -0.148 38.958 39.000 0.176 0.000 1.040 201 F HN 0.001 nan 8.300 nan 0.000 0.498 202 D N 0.373 120.914 120.400 0.237 0.000 2.144 202 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 202 D C 2.275 178.642 176.300 0.112 0.000 0.984 202 D CA 1.244 55.326 54.000 0.136 0.000 0.834 202 D CB -0.225 40.647 40.800 0.120 0.000 0.955 202 D HN 0.168 nan 8.370 nan 0.000 0.465 203 A N 0.801 123.686 122.820 0.107 0.000 2.024 203 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 203 A C 2.191 179.817 177.584 0.069 0.000 1.164 203 A CA 1.886 53.969 52.037 0.075 0.000 0.643 203 A CB -0.736 18.300 19.000 0.061 0.000 0.806 203 A HN 0.524 nan 8.150 nan 0.000 0.451 204 M N -2.954 116.701 119.600 0.093 0.000 2.431 204 M HA 0.457 4.937 4.480 -0.000 0.000 0.237 204 M C 1.041 177.410 176.300 0.114 0.000 1.130 204 M CA 0.581 55.936 55.300 0.092 0.000 1.002 204 M CB -0.054 32.605 32.600 0.098 0.000 1.524 204 M HN 0.561 nan 8.290 nan 0.000 0.482 205 G N 1.062 109.928 108.800 0.109 0.000 2.179 205 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 205 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 205 G C 0.791 175.764 174.900 0.121 0.000 1.010 205 G CA 0.437 45.594 45.100 0.094 0.000 0.736 205 G HN 0.765 nan 8.290 nan 0.000 0.513 206 A N -0.998 121.929 122.820 0.179 0.000 2.123 206 A HA 0.618 4.938 4.320 -0.000 0.000 0.214 206 A C 1.322 178.896 177.584 -0.017 0.000 1.152 206 A CA 0.739 52.916 52.037 0.233 0.000 0.728 206 A CB 0.119 19.444 19.000 0.541 0.000 0.814 206 A HN 0.647 nan 8.150 nan 0.000 0.464 207 L N -0.113 121.025 121.223 -0.141 0.000 2.379 207 L HA 0.335 4.675 4.340 -0.000 0.000 0.269 207 L C 0.746 177.552 176.870 -0.107 0.000 1.084 207 L CA -0.559 54.097 54.840 -0.305 0.000 0.802 207 L CB 1.446 43.346 42.059 -0.264 0.000 1.175 207 L HN 0.147 nan 8.230 nan 0.000 0.448 208 S N 0.071 115.722 115.700 -0.082 0.000 2.533 208 S HA 0.150 4.620 4.470 -0.000 0.000 0.282 208 S C 0.738 175.346 174.600 0.013 0.000 1.304 208 S CA 0.144 58.365 58.200 0.034 0.000 1.063 208 S CB 0.397 63.653 63.200 0.093 0.000 0.881 208 S HN 0.828 nan 8.310 nan 0.000 0.493 209 T N 1.390 115.949 114.554 0.009 0.000 3.041 209 T HA 0.331 4.681 4.350 -0.000 0.000 0.276 209 T C 0.769 175.396 174.700 -0.121 0.000 0.948 209 T CA -0.446 61.609 62.100 -0.075 0.000 0.885 209 T CB -0.084 68.734 68.868 -0.084 0.000 1.175 209 T HN 0.600 nan 8.240 nan 0.000 0.529 210 K N 0.321 120.637 120.400 -0.140 0.000 2.404 210 K HA 0.250 4.570 4.320 -0.000 0.000 0.194 210 K C -0.371 175.877 176.600 -0.588 0.000 1.023 210 K CA 0.229 56.290 56.287 -0.377 0.000 1.094 210 K CB 0.173 32.373 32.500 -0.502 0.000 0.841 210 K HN 0.467 nan 8.250 nan 0.000 0.523 211 Y N -0.191 120.095 120.300 -0.023 0.000 2.715 211 Y HA 0.208 4.758 4.550 -0.000 0.000 0.255 211 Y C 0.848 176.754 175.900 0.010 0.000 1.139 211 Y CA -0.673 57.425 58.100 -0.004 0.000 1.151 211 Y CB 0.124 38.591 38.460 0.012 0.000 1.201 211 Y HN 0.000 nan 8.280 nan 0.000 0.556 212 N N 0.659 119.405 118.700 0.076 0.000 2.289 212 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 212 N C 0.907 176.496 175.510 0.131 0.000 1.016 212 N CA 1.374 54.496 53.050 0.120 0.000 0.872 212 N CB 0.070 38.582 38.487 0.041 0.000 0.973 212 N HN 0.485 nan 8.380 nan 0.000 0.433 213 D N -0.105 120.331 120.400 0.059 0.000 2.277 213 D HA -0.030 4.610 4.640 -0.000 0.000 0.208 213 D C 0.497 176.822 176.300 0.041 0.000 0.962 213 D CA 0.886 54.894 54.000 0.013 0.000 0.865 213 D CB 0.144 40.938 40.800 -0.011 0.000 0.939 213 D HN 0.322 nan 8.370 nan 0.000 0.510 214 T N -1.890 112.724 114.554 0.100 0.000 3.410 214 T HA 0.338 4.688 4.350 -0.000 0.000 0.328 214 T C -2.329 172.446 174.700 0.123 0.000 1.567 214 T CA -1.712 60.449 62.100 0.101 0.000 1.626 214 T CB 1.877 70.812 68.868 0.113 0.000 0.939 214 T HN -0.291 nan 8.240 nan 0.000 0.656 215 P HA -0.181 nan 4.420 nan 0.000 0.217 215 P C 1.348 178.703 177.300 0.092 0.000 1.158 215 P CA 1.374 64.557 63.100 0.139 0.000 0.887 215 P CB 0.123 31.926 31.700 0.172 0.000 0.792 216 E N -0.770 119.471 120.200 0.068 0.000 2.472 216 E HA -0.126 4.224 4.350 -0.000 0.000 0.200 216 E C 1.346 177.943 176.600 -0.004 0.000 1.046 216 E CA 0.714 57.136 56.400 0.036 0.000 0.871 216 E CB -0.253 29.466 29.700 0.031 0.000 0.806 216 E HN 0.407 nan 8.360 nan 0.000 0.533 217 K N -0.256 120.131 120.400 -0.021 0.000 2.358 217 K HA 0.210 4.530 4.320 -0.000 0.000 0.200 217 K C 1.767 178.189 176.600 -0.298 0.000 1.030 217 K CA 0.254 56.468 56.287 -0.121 0.000 1.097 217 K CB 0.681 33.127 32.500 -0.089 0.000 0.862 217 K HN -0.022 nan 8.250 nan 0.000 0.534 218 A N 1.258 123.986 122.820 -0.153 0.000 1.877 218 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 218 A C 1.403 178.893 177.584 -0.157 0.000 1.186 218 A CA 1.237 53.186 52.037 -0.146 0.000 0.620 218 A CB -0.210 18.832 19.000 0.071 0.000 0.822 218 A HN 0.166 nan 8.150 nan 0.000 0.443 219 S N 0.664 116.319 115.700 -0.075 0.000 2.422 219 S HA 0.396 4.866 4.470 -0.000 0.000 0.283 219 S C 0.326 174.870 174.600 -0.094 0.000 1.163 219 S CA -0.578 57.592 58.200 -0.049 0.000 1.054 219 S CB -0.191 63.009 63.200 -0.001 0.000 0.967 219 S HN 0.484 nan 8.310 nan 0.000 0.499 220 R N 2.839 123.273 120.500 -0.110 0.000 2.638 220 R HA 0.197 4.537 4.340 -0.000 0.000 0.269 220 R C -0.699 175.547 176.300 -0.091 0.000 1.393 220 R CA -0.643 55.395 56.100 -0.103 0.000 1.531 220 R CB -0.895 29.313 30.300 -0.153 0.000 1.327 220 R HN 0.423 nan 8.270 nan 0.000 0.709 221 T N 1.974 116.437 114.554 -0.152 0.000 2.891 221 T HA -0.095 4.255 4.350 -0.000 0.000 0.296 221 T C -0.006 174.530 174.700 -0.274 0.000 1.025 221 T CA 0.944 62.834 62.100 -0.350 0.000 1.149 221 T CB -0.116 68.413 68.868 -0.565 0.000 1.007 221 T HN 0.549 nan 8.240 nan 0.000 0.528 222 Y N -1.421 118.890 120.300 0.018 0.000 4.894 222 Y HA -0.218 4.332 4.550 -0.000 0.000 0.270 222 Y C 0.721 176.625 175.900 0.007 0.000 0.930 222 Y CA 0.550 58.658 58.100 0.015 0.000 1.814 222 Y CB -2.249 36.220 38.460 0.016 0.000 1.235 222 Y HN 0.787 nan 8.280 nan 0.000 0.480 223 D N 0.581 121.044 120.400 0.105 0.000 2.350 223 D HA 0.556 5.196 4.640 -0.000 0.000 0.249 223 D C 1.267 177.586 176.300 0.032 0.000 1.119 223 D CA 0.772 54.817 54.000 0.075 0.000 0.886 223 D CB 1.278 42.113 40.800 0.057 0.000 1.195 223 D HN 0.278 nan 8.370 nan 0.000 0.437 224 A N 3.314 126.113 122.820 -0.036 0.000 2.076 224 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 224 A C 1.095 178.471 177.584 -0.348 0.000 1.160 224 A CA 1.415 53.327 52.037 -0.208 0.000 0.653 224 A CB -0.589 18.215 19.000 -0.326 0.000 0.801 224 A HN 0.794 nan 8.150 nan 0.000 0.455 225 H N -0.603 118.522 119.070 0.092 0.000 2.487 225 H HA 0.186 4.742 4.556 -0.000 0.000 0.290 225 H C 0.544 175.976 175.328 0.174 0.000 1.081 225 H CA -0.324 55.806 56.048 0.138 0.000 1.116 225 H CB 0.079 29.950 29.762 0.182 0.000 1.560 225 H HN 0.599 nan 8.280 nan 0.000 0.548 226 R N 1.429 122.019 120.500 0.149 0.000 2.734 226 R HA 0.031 4.371 4.340 -0.000 0.000 0.266 226 R C -0.486 175.914 176.300 0.167 0.000 1.044 226 R CA 0.325 56.496 56.100 0.119 0.000 1.128 226 R CB 0.470 30.795 30.300 0.042 0.000 1.010 226 R HN 0.234 nan 8.270 nan 0.000 0.461 227 D N 0.149 120.660 120.400 0.185 0.000 2.865 227 D HA 0.227 4.867 4.640 -0.000 0.000 0.347 227 D C -0.028 176.344 176.300 0.120 0.000 1.498 227 D CA 0.024 54.120 54.000 0.160 0.000 0.787 227 D CB 0.375 41.287 40.800 0.187 0.000 1.190 227 D HN 0.934 nan 8.370 nan 0.000 0.445 228 G N 0.430 109.299 108.800 0.114 0.000 2.484 228 G HA2 0.227 4.187 3.960 -0.000 0.000 0.685 228 G HA3 0.227 4.187 3.960 -0.000 0.000 0.685 228 G C -0.536 174.430 174.900 0.110 0.000 1.294 228 G CA -0.715 44.450 45.100 0.108 0.000 0.879 228 G HN 0.358 nan 8.290 nan 0.000 0.646 229 F N -0.234 119.733 119.950 0.030 0.000 2.378 229 F HA 0.788 5.315 4.527 -0.000 0.000 0.319 229 F C 0.291 176.107 175.800 0.026 0.000 1.155 229 F CA -1.303 56.694 58.000 -0.005 0.000 1.157 229 F CB 1.192 40.156 39.000 -0.060 0.000 1.252 229 F HN 0.393 nan 8.300 nan 0.000 0.550 230 V N 4.449 124.492 119.914 0.214 0.000 2.347 230 V HA 0.246 4.366 4.120 -0.000 0.000 0.280 230 V C 0.236 176.487 176.094 0.262 0.000 1.021 230 V CA -0.873 61.495 62.300 0.114 0.000 0.847 230 V CB 1.069 32.966 31.823 0.123 0.000 0.990 230 V HN 0.850 nan 8.190 nan 0.000 0.444 231 I N 4.792 125.445 120.570 0.138 0.000 2.692 231 I HA 0.477 4.647 4.170 -0.000 0.000 0.284 231 I C 0.514 176.743 176.117 0.187 0.000 1.159 231 I CA 0.591 62.028 61.300 0.228 0.000 1.423 231 I CB 0.728 38.804 38.000 0.126 0.000 1.380 231 I HN 0.807 nan 8.210 nan 0.000 0.580 232 A N 4.982 127.855 122.820 0.089 0.000 2.569 232 A HA 0.914 5.234 4.320 -0.000 0.000 0.290 232 A C -0.589 176.941 177.584 -0.090 0.000 1.136 232 A CA -0.119 51.907 52.037 -0.018 0.000 0.710 232 A CB 1.417 20.403 19.000 -0.022 0.000 1.303 232 A HN 0.831 nan 8.150 nan 0.000 0.413 233 G N -1.896 106.804 108.800 -0.165 0.000 2.733 233 G HA2 0.915 4.875 3.960 -0.000 0.000 0.288 233 G HA3 0.915 4.875 3.960 -0.000 0.000 0.288 233 G C -0.125 174.604 174.900 -0.284 0.000 1.373 233 G CA -0.183 44.827 45.100 -0.150 0.000 0.895 233 G HN 2.271 nan 8.290 nan 0.000 0.479 234 G N -2.036 106.576 108.800 -0.314 0.000 2.339 234 G HA2 0.634 4.594 3.960 -0.000 0.000 0.275 234 G HA3 0.634 4.594 3.960 -0.000 0.000 0.275 234 G C -0.353 174.458 174.900 -0.148 0.000 1.323 234 G CA 0.251 45.029 45.100 -0.537 0.000 0.927 234 G HN 1.989 nan 8.290 nan 0.000 0.486 235 G N -1.902 106.827 108.800 -0.119 0.000 2.684 235 G HA2 1.005 4.965 3.960 -0.000 0.000 0.290 235 G HA3 1.005 4.965 3.960 -0.000 0.000 0.290 235 G C -0.403 174.463 174.900 -0.057 0.000 1.425 235 G CA 0.323 45.422 45.100 -0.001 0.000 0.822 235 G HN 2.098 nan 8.290 nan 0.000 0.482 236 G N -1.266 107.500 108.800 -0.056 0.000 2.703 236 G HA2 0.667 4.627 3.960 -0.000 0.000 0.294 236 G HA3 0.667 4.627 3.960 -0.000 0.000 0.294 236 G C -1.707 173.142 174.900 -0.085 0.000 1.451 236 G CA -0.574 44.470 45.100 -0.094 0.000 0.869 236 G HN 0.935 nan 8.290 nan 0.000 0.516 237 M N 1.081 120.623 119.600 -0.096 0.000 2.413 237 M HA 0.676 5.156 4.480 -0.000 0.000 0.287 237 M C -1.022 175.224 176.300 -0.091 0.000 1.186 237 M CA -0.708 54.540 55.300 -0.087 0.000 0.927 237 M CB 2.314 34.856 32.600 -0.097 0.000 1.715 237 M HN 1.205 nan 8.290 nan 0.000 0.478 238 V N 1.549 121.412 119.914 -0.086 0.000 2.914 238 V HA 0.901 5.021 4.120 -0.000 0.000 0.314 238 V C -1.196 174.839 176.094 -0.099 0.000 1.084 238 V CA -0.929 61.309 62.300 -0.103 0.000 0.963 238 V CB 1.876 33.615 31.823 -0.141 0.000 1.025 238 V HN 0.606 nan 8.190 nan 0.000 0.432 239 V N 3.510 123.353 119.914 -0.117 0.000 2.348 239 V HA 0.363 4.483 4.120 -0.000 0.000 0.270 239 V C 0.120 176.083 176.094 -0.220 0.000 1.037 239 V CA -0.326 61.831 62.300 -0.238 0.000 0.872 239 V CB 1.080 32.785 31.823 -0.196 0.000 1.002 239 V HN 0.728 nan 8.190 nan 0.000 0.464 240 V N 5.279 125.030 119.914 -0.271 0.000 2.383 240 V HA 0.487 4.607 4.120 -0.000 0.000 0.275 240 V C 0.070 176.023 176.094 -0.234 0.000 1.036 240 V CA -0.266 61.909 62.300 -0.208 0.000 0.889 240 V CB 1.297 33.005 31.823 -0.192 0.000 0.985 240 V HN 0.970 nan 8.190 nan 0.000 0.459 241 E N 2.738 122.836 120.200 -0.169 0.000 2.367 241 E HA 0.343 4.693 4.350 -0.000 0.000 0.273 241 E C -0.907 175.633 176.600 -0.100 0.000 0.903 241 E CA -0.761 55.540 56.400 -0.165 0.000 0.764 241 E CB 1.949 31.569 29.700 -0.134 0.000 1.252 241 E HN 0.675 nan 8.360 nan 0.000 0.446 242 E N 3.428 123.570 120.200 -0.097 0.000 2.360 242 E HA -0.019 4.331 4.350 -0.000 0.000 0.269 242 E C 0.858 177.466 176.600 0.013 0.000 1.022 242 E CA -0.125 56.253 56.400 -0.036 0.000 0.887 242 E CB 1.130 30.813 29.700 -0.027 0.000 0.990 242 E HN 0.611 nan 8.360 nan 0.000 0.426 243 L N 5.688 126.914 121.223 0.005 0.000 1.978 243 L HA -0.259 4.081 4.340 -0.000 0.000 0.218 243 L C 1.879 178.764 176.870 0.024 0.000 1.075 243 L CA 2.038 56.883 54.840 0.008 0.000 0.767 243 L CB -0.503 41.556 42.059 0.000 0.000 0.890 243 L HN 0.564 nan 8.230 nan 0.000 0.434 244 E N -1.032 119.186 120.200 0.031 0.000 2.085 244 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 244 E C 2.251 178.873 176.600 0.036 0.000 0.994 244 E CA 1.431 57.847 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 0.682 nan 8.360 nan 0.000 0.453 245 H N 0.534 119.589 119.070 -0.025 0.000 2.353 245 H HA -0.034 4.522 4.556 -0.000 0.000 0.300 245 H C 1.826 177.138 175.328 -0.027 0.000 1.090 245 H CA 1.779 57.812 56.048 -0.025 0.000 1.327 245 H CB 0.157 29.900 29.762 -0.032 0.000 1.383 245 H HN 0.129 nan 8.280 nan 0.000 0.508 246 A N 1.157 124.055 122.820 0.130 0.000 1.873 246 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 246 A C 2.909 180.492 177.584 -0.002 0.000 1.186 246 A CA 1.200 53.276 52.037 0.065 0.000 0.616 246 A CB -0.872 18.147 19.000 0.032 0.000 0.823 246 A HN 0.407 nan 8.150 nan 0.000 0.442 247 L N -0.666 120.551 121.223 -0.011 0.000 2.046 247 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 247 L C 3.064 179.910 176.870 -0.040 0.000 1.077 247 L CA 1.077 55.902 54.840 -0.024 0.000 0.747 247 L CB -0.596 41.451 42.059 -0.019 0.000 0.896 247 L HN 0.438 nan 8.230 nan 0.000 0.432 248 A N 0.990 123.772 122.820 -0.064 0.000 1.972 248 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 248 A C 2.234 179.760 177.584 -0.096 0.000 1.169 248 A CA 1.711 53.695 52.037 -0.089 0.000 0.635 248 A CB -0.512 18.408 19.000 -0.132 0.000 0.810 248 A HN 0.588 nan 8.150 nan 0.000 0.446 249 R N -1.200 119.237 120.500 -0.104 0.000 2.359 249 R HA 0.350 4.690 4.340 -0.000 0.000 0.231 249 R C 0.914 177.195 176.300 -0.031 0.000 0.913 249 R CA 0.594 56.650 56.100 -0.074 0.000 1.075 249 R CB -0.659 29.593 30.300 -0.080 0.000 1.087 249 R HN 0.711 nan 8.270 nan 0.000 0.515 250 G N 0.849 109.633 108.800 -0.027 0.000 2.273 250 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.280 250 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.280 250 G C 0.299 175.201 174.900 0.003 0.000 1.047 250 G CA 0.202 45.295 45.100 -0.012 0.000 0.869 250 G HN 0.718 nan 8.290 nan 0.000 0.502 251 A N -0.438 122.384 122.820 0.004 0.000 2.366 251 A HA 0.581 4.901 4.320 -0.000 0.000 0.249 251 A C 0.406 178.002 177.584 0.020 0.000 1.084 251 A CA 0.349 52.399 52.037 0.021 0.000 0.794 251 A CB 0.315 19.327 19.000 0.020 0.000 1.034 251 A HN 1.420 nan 8.150 nan 0.000 0.491 252 H N 0.821 119.848 119.070 -0.071 0.000 2.652 252 H HA 0.515 5.071 4.556 -0.000 0.000 0.298 252 H C -0.731 174.501 175.328 -0.160 0.000 1.076 252 H CA -0.410 55.551 56.048 -0.144 0.000 1.360 252 H CB -0.001 29.638 29.762 -0.205 0.000 1.421 252 H HN 0.414 nan 8.280 nan 0.000 0.464 253 I N 7.055 127.284 120.570 -0.569 0.000 2.312 253 I HA 0.014 4.184 4.170 -0.000 0.000 0.290 253 I C 0.132 175.906 176.117 -0.572 0.000 1.008 253 I CA -0.407 60.642 61.300 -0.417 0.000 1.226 253 I CB 0.835 38.720 38.000 -0.192 0.000 1.371 253 I HN 0.754 nan 8.210 nan 0.000 0.468 254 Y N 5.219 125.290 120.300 -0.382 0.000 2.184 254 Y HA 0.176 4.726 4.550 -0.000 0.000 0.290 254 Y C 1.262 177.073 175.900 -0.148 0.000 1.129 254 Y CA 1.057 59.009 58.100 -0.247 0.000 1.144 254 Y CB 0.161 38.551 38.460 -0.118 0.000 0.995 254 Y HN 0.682 nan 8.280 nan 0.000 0.513 255 A N -0.816 122.034 122.820 0.049 0.000 2.515 255 A HA 0.410 4.730 4.320 -0.000 0.000 0.292 255 A C -1.516 176.066 177.584 -0.003 0.000 1.065 255 A CA -0.828 51.217 52.037 0.013 0.000 0.641 255 A CB 0.620 19.639 19.000 0.032 0.000 1.306 255 A HN 0.064 nan 8.150 nan 0.000 0.441 256 E N 0.384 120.581 120.200 -0.005 0.000 2.191 256 E HA 0.622 4.972 4.350 -0.000 0.000 0.274 256 E C -1.201 175.398 176.600 -0.002 0.000 0.948 256 E CA -0.609 55.786 56.400 -0.008 0.000 0.802 256 E CB 0.972 30.669 29.700 -0.005 0.000 1.137 256 E HN 0.489 nan 8.360 nan 0.000 0.397 257 I N 5.733 126.299 120.570 -0.008 0.000 2.308 257 I HA 0.037 4.207 4.170 -0.000 0.000 0.293 257 I C 1.006 177.136 176.117 0.021 0.000 1.078 257 I CA -0.302 60.998 61.300 -0.000 0.000 1.292 257 I CB 0.953 38.940 38.000 -0.022 0.000 1.423 257 I HN 0.517 nan 8.210 nan 0.000 0.493 258 V N 2.675 122.608 119.914 0.033 0.000 3.621 258 V HA 0.516 4.636 4.120 -0.000 0.000 0.285 258 V C 0.679 176.811 176.094 0.064 0.000 1.346 258 V CA 0.127 62.453 62.300 0.043 0.000 1.104 258 V CB -0.088 31.758 31.823 0.037 0.000 0.913 258 V HN 0.718 nan 8.190 nan 0.000 0.432 259 G N -0.434 108.414 108.800 0.080 0.000 2.759 259 G HA2 0.535 4.495 3.960 -0.000 0.000 0.297 259 G HA3 0.535 4.495 3.960 -0.000 0.000 0.297 259 G C -2.318 172.685 174.900 0.171 0.000 1.434 259 G CA -0.565 44.598 45.100 0.106 0.000 0.980 259 G HN 0.365 nan 8.290 nan 0.000 0.531 260 Y N 1.228 121.537 120.300 0.015 0.000 2.330 260 Y HA 0.675 5.225 4.550 -0.000 0.000 0.324 260 Y C -0.202 175.712 175.900 0.023 0.000 1.093 260 Y CA -1.180 56.927 58.100 0.012 0.000 1.103 260 Y CB 1.696 40.163 38.460 0.012 0.000 1.183 260 Y HN 0.862 nan 8.280 nan 0.000 0.433 261 G N 3.131 111.797 108.800 -0.223 0.000 2.416 261 G HA2 0.751 4.711 3.960 -0.000 0.000 0.329 261 G HA3 0.751 4.711 3.960 -0.000 0.000 0.329 261 G C -1.652 173.024 174.900 -0.373 0.000 1.173 261 G CA -0.608 44.302 45.100 -0.316 0.000 0.929 261 G HN 1.157 nan 8.290 nan 0.000 0.475 262 A N 1.644 124.266 122.820 -0.329 0.000 2.476 262 A HA 0.839 5.159 4.320 -0.000 0.000 0.280 262 A C 0.005 177.576 177.584 -0.023 0.000 1.081 262 A CA -0.108 51.890 52.037 -0.065 0.000 0.753 262 A CB 1.182 20.130 19.000 -0.088 0.000 1.248 262 A HN 1.502 nan 8.150 nan 0.000 0.424 263 T N -1.420 113.171 114.554 0.062 0.000 2.831 263 T HA 0.864 5.214 4.350 -0.000 0.000 0.287 263 T C -0.257 174.480 174.700 0.062 0.000 1.070 263 T CA -0.513 61.607 62.100 0.033 0.000 1.010 263 T CB 1.766 70.647 68.868 0.020 0.000 1.264 263 T HN 1.336 nan 8.240 nan 0.000 0.532 264 S N -0.983 114.736 115.700 0.031 0.000 2.541 264 S HA 0.458 4.928 4.470 -0.000 0.000 0.280 264 S C -0.254 174.355 174.600 0.015 0.000 1.112 264 S CA -0.621 57.599 58.200 0.033 0.000 0.925 264 S CB 1.596 64.806 63.200 0.017 0.000 1.067 264 S HN 0.691 nan 8.310 nan 0.000 0.479 265 D N 2.788 123.197 120.400 0.015 0.000 2.137 265 D HA 0.154 4.794 4.640 -0.000 0.000 0.202 265 D C 1.514 177.810 176.300 -0.006 0.000 0.970 265 D CA 1.464 55.461 54.000 -0.006 0.000 0.837 265 D CB -0.509 40.283 40.800 -0.014 0.000 0.981 265 D HN 1.049 nan 8.370 nan 0.000 0.475 266 G N 0.198 109.000 108.800 0.003 0.000 2.305 266 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.287 266 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.287 266 G C 0.691 175.587 174.900 -0.006 0.000 1.036 266 G CA 0.946 46.045 45.100 -0.001 0.000 0.887 266 G HN 0.616 nan 8.290 nan 0.000 0.505 267 A N -0.901 121.915 122.820 -0.007 0.000 1.845 267 A HA 0.674 4.994 4.320 -0.000 0.000 0.188 267 A C 0.519 178.095 177.584 -0.013 0.000 2.173 267 A CA 1.143 53.173 52.037 -0.012 0.000 1.255 267 A CB 0.323 19.312 19.000 -0.017 0.000 0.999 267 A HN 0.515 nan 8.150 nan 0.000 0.634 268 D N -1.389 119.001 120.400 -0.016 0.000 2.198 268 D HA 0.485 5.125 4.640 -0.000 0.000 0.247 268 D C 1.057 177.340 176.300 -0.028 0.000 1.010 268 D CA -0.501 53.484 54.000 -0.026 0.000 0.880 268 D CB 0.878 41.659 40.800 -0.031 0.000 1.209 268 D HN 0.093 nan 8.370 nan 0.000 0.451 269 M N 2.009 121.576 119.600 -0.054 0.000 2.200 269 M HA -0.000 4.480 4.480 -0.000 0.000 0.265 269 M C 1.299 177.496 176.300 -0.172 0.000 1.066 269 M CA 1.061 56.317 55.300 -0.072 0.000 1.127 269 M CB -0.244 32.306 32.600 -0.082 0.000 1.379 269 M HN 0.499 nan 8.290 nan 0.000 0.420 270 V N -3.668 116.085 119.914 -0.268 0.000 3.252 270 V HA 0.675 4.795 4.120 -0.000 0.000 0.320 270 V C 0.159 176.134 176.094 -0.198 0.000 1.459 270 V CA -0.219 61.737 62.300 -0.573 0.000 1.095 270 V CB -0.417 30.908 31.823 -0.831 0.000 0.997 270 V HN 0.126 nan 8.190 nan 0.000 0.469 271 A N 1.752 124.539 122.820 -0.055 0.000 2.393 271 A HA 0.937 5.257 4.320 -0.000 0.000 0.306 271 A C -3.082 174.511 177.584 0.015 0.000 1.050 271 A CA -1.700 50.346 52.037 0.015 0.000 0.724 271 A CB 1.569 20.566 19.000 -0.005 0.000 1.248 271 A HN 0.215 nan 8.150 nan 0.000 0.424 272 P HA 0.162 nan 4.420 nan 0.000 0.275 272 P C 0.594 177.847 177.300 -0.079 0.000 1.227 272 P CA -0.032 63.026 63.100 -0.071 0.000 0.781 272 P CB 1.614 33.225 31.700 -0.147 0.000 0.906 273 S N 1.283 116.925 115.700 -0.096 0.000 2.486 273 S HA 0.191 4.661 4.470 -0.000 0.000 0.220 273 S C 1.628 176.173 174.600 -0.092 0.000 1.011 273 S CA 0.803 58.959 58.200 -0.073 0.000 0.921 273 S CB -0.880 62.287 63.200 -0.056 0.000 0.785 273 S HN 0.723 nan 8.310 nan 0.000 0.517 274 G N 1.901 110.609 108.800 -0.154 0.000 2.417 274 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.233 274 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.233 274 G C 0.940 175.772 174.900 -0.113 0.000 1.103 274 G CA 0.580 45.589 45.100 -0.151 0.000 0.647 274 G HN 0.472 nan 8.290 nan 0.000 0.512 275 E N 1.757 121.909 120.200 -0.080 0.000 2.077 275 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 275 E C 2.626 179.193 176.600 -0.055 0.000 0.989 275 E CA 2.205 58.572 56.400 -0.056 0.000 0.800 275 E CB -0.956 28.719 29.700 -0.041 0.000 0.746 275 E HN 0.642 nan 8.360 nan 0.000 0.452 276 G N 0.656 109.414 108.800 -0.069 0.000 2.408 276 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 276 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 276 G C 1.731 176.610 174.900 -0.036 0.000 1.150 276 G CA 1.162 46.234 45.100 -0.046 0.000 0.776 276 G HN 0.419 nan 8.290 nan 0.000 0.542 277 A N 0.268 123.020 122.820 -0.113 0.000 1.902 277 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 277 A C 2.598 180.200 177.584 0.031 0.000 1.181 277 A CA 1.745 53.749 52.037 -0.056 0.000 0.623 277 A CB -0.622 18.173 19.000 -0.341 0.000 0.818 277 A HN 0.236 nan 8.150 nan 0.000 0.443 278 V N 0.090 119.993 119.914 -0.018 0.000 2.287 278 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 278 V C 2.659 178.741 176.094 -0.020 0.000 1.053 278 V CA 2.369 64.659 62.300 -0.018 0.000 1.027 278 V CB -0.828 30.975 31.823 -0.033 0.000 0.646 278 V HN 0.530 nan 8.190 nan 0.000 0.447 279 R N -1.062 119.428 120.500 -0.017 0.000 2.096 279 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 279 R C 2.416 178.712 176.300 -0.008 0.000 1.127 279 R CA 1.664 57.754 56.100 -0.017 0.000 0.968 279 R CB -0.898 29.391 30.300 -0.018 0.000 0.861 279 R HN 0.579 nan 8.270 nan 0.000 0.440 280 C N 0.797 120.110 119.300 0.022 0.000 2.432 280 C HA -0.085 4.375 4.460 -0.000 0.000 0.277 280 C C 2.600 177.607 174.990 0.028 0.000 1.249 280 C CA 0.928 59.968 59.018 0.036 0.000 1.725 280 C CB -0.662 27.150 27.740 0.120 0.000 2.028 280 C HN 0.459 nan 8.230 nan 0.000 0.477 281 M N -0.050 119.578 119.600 0.047 0.000 2.175 281 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 281 M C 2.269 178.548 176.300 -0.035 0.000 1.063 281 M CA 1.662 56.978 55.300 0.027 0.000 1.119 281 M CB -0.424 32.203 32.600 0.045 0.000 1.377 281 M HN 0.371 nan 8.290 nan 0.000 0.415 282 K N 0.121 120.488 120.400 -0.056 0.000 2.097 282 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 282 K C 2.001 178.600 176.600 -0.001 0.000 1.050 282 K CA 1.287 57.537 56.287 -0.062 0.000 0.938 282 K CB -0.183 32.283 32.500 -0.057 0.000 0.718 282 K HN 0.332 nan 8.250 nan 0.000 0.442 283 M N 0.482 120.079 119.600 -0.005 0.000 2.117 283 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 283 M C 2.044 178.352 176.300 0.013 0.000 1.065 283 M CA 1.722 57.018 55.300 -0.008 0.000 1.114 283 M CB -0.066 32.495 32.600 -0.066 0.000 1.361 283 M HN 0.160 nan 8.290 nan 0.000 0.408 284 A N -0.065 122.759 122.820 0.006 0.000 2.066 284 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 284 A C 1.819 179.437 177.584 0.057 0.000 1.157 284 A CA 1.074 53.133 52.037 0.035 0.000 0.670 284 A CB -0.381 18.645 19.000 0.044 0.000 0.804 284 A HN 0.558 nan 8.150 nan 0.000 0.453 285 M N -0.388 119.236 119.600 0.040 0.000 2.495 285 M HA 0.085 4.565 4.480 -0.000 0.000 0.237 285 M C 0.499 176.818 176.300 0.031 0.000 1.131 285 M CA 0.194 55.509 55.300 0.025 0.000 1.032 285 M CB -0.911 31.666 32.600 -0.038 0.000 1.513 285 M HN 0.443 nan 8.290 nan 0.000 0.488 286 H N 0.773 119.828 119.070 -0.024 0.000 3.046 286 H HA 0.232 4.788 4.556 -0.000 0.000 0.303 286 H C 1.154 176.478 175.328 -0.007 0.000 1.002 286 H CA 1.902 57.938 56.048 -0.021 0.000 1.460 286 H CB 0.377 30.124 29.762 -0.025 0.000 1.493 286 H HN 0.603 nan 8.280 nan 0.000 0.559 287 G N 4.017 112.725 108.800 -0.154 0.000 2.268 287 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.240 287 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.240 287 G C 0.248 175.140 174.900 -0.014 0.000 1.010 287 G CA 0.142 45.223 45.100 -0.033 0.000 0.618 287 G HN 0.625 nan 8.290 nan 0.000 0.516 288 V N 3.377 123.290 119.914 -0.001 0.000 2.409 288 V HA 0.301 4.421 4.120 -0.000 0.000 0.270 288 V C 1.213 177.305 176.094 -0.002 0.000 1.019 288 V CA 0.846 63.153 62.300 0.012 0.000 1.066 288 V CB 0.996 32.838 31.823 0.032 0.000 1.021 288 V HN 0.558 nan 8.190 nan 0.000 0.476 289 D N 2.461 122.861 120.400 0.000 0.000 2.319 289 D HA 0.005 4.645 4.640 -0.000 0.000 0.230 289 D C 0.743 177.049 176.300 0.010 0.000 1.094 289 D CA 0.070 54.068 54.000 -0.003 0.000 0.856 289 D CB 0.005 40.802 40.800 -0.005 0.000 0.915 289 D HN 0.607 nan 8.370 nan 0.000 0.517 290 T N -2.479 112.088 114.554 0.022 0.000 2.908 290 T HA 0.598 4.948 4.350 -0.000 0.000 0.290 290 T C -2.838 171.892 174.700 0.050 0.000 1.034 290 T CA -1.810 60.309 62.100 0.031 0.000 1.010 290 T CB 2.481 71.366 68.868 0.029 0.000 1.068 290 T HN -0.172 nan 8.240 nan 0.000 0.481 291 P HA 0.339 nan 4.420 nan 0.000 0.277 291 P C -0.460 176.886 177.300 0.076 0.000 1.240 291 P CA -0.690 62.458 63.100 0.081 0.000 0.798 291 P CB 0.596 32.332 31.700 0.060 0.000 0.979 292 I N 3.262 123.894 120.570 0.103 0.000 2.436 292 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 292 I C 1.361 177.461 176.117 -0.029 0.000 1.083 292 I CA 0.417 61.740 61.300 0.040 0.000 1.372 292 I CB -0.167 37.846 38.000 0.021 0.000 1.408 292 I HN 0.333 nan 8.210 nan 0.000 0.516 293 D N 5.194 125.600 120.400 0.010 0.000 2.249 293 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 293 D C 0.029 176.371 176.300 0.071 0.000 0.962 293 D CA 1.280 55.296 54.000 0.027 0.000 0.860 293 D CB 0.420 41.248 40.800 0.047 0.000 0.955 293 D HN 0.525 nan 8.370 nan 0.000 0.505 294 Y N 0.247 120.500 120.300 -0.079 0.000 2.482 294 Y HA 0.449 4.999 4.550 -0.000 0.000 0.334 294 Y C -2.090 173.763 175.900 -0.078 0.000 1.091 294 Y CA -1.128 56.920 58.100 -0.087 0.000 1.027 294 Y CB 1.289 39.700 38.460 -0.082 0.000 1.306 294 Y HN -0.233 nan 8.280 nan 0.000 0.446 295 L N 7.183 127.807 121.223 -0.997 0.000 2.372 295 L HA 0.494 4.834 4.340 -0.000 0.000 0.274 295 L C -1.160 175.109 176.870 -1.002 0.000 0.988 295 L CA -0.536 53.839 54.840 -0.776 0.000 0.833 295 L CB 0.954 42.770 42.059 -0.406 0.000 1.236 295 L HN 0.810 nan 8.230 nan 0.000 0.410 296 N N 3.666 121.928 118.700 -0.731 0.000 2.415 296 N HA 0.125 4.865 4.740 -0.000 0.000 0.246 296 N C -0.356 175.088 175.510 -0.111 0.000 1.078 296 N CA -0.196 52.681 53.050 -0.288 0.000 0.942 296 N CB 1.035 39.526 38.487 0.006 0.000 1.140 296 N HN 0.728 nan 8.380 nan 0.000 0.501 297 S N 2.746 118.431 115.700 -0.025 0.000 2.608 297 S HA 0.018 4.488 4.470 -0.000 0.000 0.261 297 S C 1.279 175.919 174.600 0.066 0.000 1.314 297 S CA -0.240 57.998 58.200 0.064 0.000 0.992 297 S CB 1.159 64.474 63.200 0.191 0.000 0.935 297 S HN 0.733 nan 8.310 nan 0.000 0.564 298 H N 1.753 120.807 119.070 -0.028 0.000 2.357 298 H HA 0.157 4.713 4.556 -0.000 0.000 0.301 298 H C 1.638 176.925 175.328 -0.069 0.000 1.082 298 H CA 1.266 57.261 56.048 -0.088 0.000 1.342 298 H CB -1.076 28.628 29.762 -0.097 0.000 1.389 298 H HN 1.020 nan 8.280 nan 0.000 0.511 299 G N 1.008 109.795 108.800 -0.022 0.000 2.148 299 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.242 299 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.242 299 G C 0.969 175.685 174.900 -0.307 0.000 0.515 299 G CA 1.003 45.982 45.100 -0.202 0.000 1.030 299 G HN 0.740 nan 8.290 nan 0.000 0.423 300 T N -1.576 112.763 114.554 -0.359 0.000 3.129 300 T HA 0.377 4.727 4.350 -0.000 0.000 0.251 300 T C 1.268 175.900 174.700 -0.113 0.000 1.117 300 T CA 0.916 62.810 62.100 -0.343 0.000 1.034 300 T CB 0.261 68.746 68.868 -0.639 0.000 0.968 300 T HN 1.717 nan 8.240 nan 0.000 0.526 301 S N 0.831 116.447 115.700 -0.140 0.000 3.807 301 S HA -0.135 4.335 4.470 -0.000 0.000 0.304 301 S C 0.225 174.837 174.600 0.018 0.000 1.152 301 S CA 0.543 58.694 58.200 -0.080 0.000 0.852 301 S CB -2.149 61.028 63.200 -0.038 0.000 0.924 301 S HN 1.237 nan 8.310 nan 0.000 0.545 302 T N -0.946 113.626 114.554 0.030 0.000 2.902 302 T HA 0.682 5.032 4.350 -0.000 0.000 0.283 302 T C -1.438 173.306 174.700 0.072 0.000 1.009 302 T CA -1.622 60.536 62.100 0.096 0.000 1.051 302 T CB 1.647 70.601 68.868 0.144 0.000 0.999 302 T HN -0.037 nan 8.240 nan 0.000 0.474 303 P HA -0.118 nan 4.420 nan 0.000 0.214 303 P C 1.598 178.939 177.300 0.068 0.000 1.163 303 P CA 0.701 63.843 63.100 0.070 0.000 0.889 303 P CB -0.006 31.737 31.700 0.071 0.000 0.790 304 V N -0.622 119.337 119.914 0.075 0.000 2.379 304 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 304 V C 2.593 178.731 176.094 0.073 0.000 1.035 304 V CA 2.217 64.557 62.300 0.067 0.000 1.035 304 V CB -1.919 29.941 31.823 0.062 0.000 0.673 304 V HN 0.145 nan 8.190 nan 0.000 0.457 305 G N 0.266 109.121 108.800 0.092 0.000 2.491 305 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 305 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 305 G C 1.163 176.129 174.900 0.110 0.000 1.180 305 G CA 1.430 46.593 45.100 0.105 0.000 0.774 305 G HN 0.492 nan 8.290 nan 0.000 0.562 306 D N 0.103 120.554 120.400 0.085 0.000 2.127 306 D HA -0.171 4.469 4.640 -0.000 0.000 0.190 306 D C 2.898 179.330 176.300 0.218 0.000 1.000 306 D CA 2.228 56.289 54.000 0.101 0.000 0.839 306 D CB -0.806 39.998 40.800 0.007 0.000 0.955 306 D HN 0.365 nan 8.370 nan 0.000 0.446 307 V N -1.545 118.466 119.914 0.163 0.000 2.667 307 V HA -0.063 4.057 4.120 -0.000 0.000 0.252 307 V C 2.076 178.225 176.094 0.091 0.000 1.065 307 V CA 1.103 63.484 62.300 0.135 0.000 1.083 307 V CB -0.353 31.526 31.823 0.093 0.000 0.692 307 V HN -0.045 nan 8.190 nan 0.000 0.468 308 K N 0.907 121.348 120.400 0.069 0.000 2.026 308 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 308 K C 2.275 178.885 176.600 0.017 0.000 1.048 308 K CA 2.226 58.526 56.287 0.021 0.000 0.929 308 K CB -0.347 32.147 32.500 -0.011 0.000 0.713 308 K HN 0.793 nan 8.250 nan 0.000 0.439 309 E N 0.584 120.823 120.200 0.065 0.000 2.110 309 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 309 E C 2.124 178.807 176.600 0.137 0.000 0.988 309 E CA 0.733 57.202 56.400 0.115 0.000 0.804 309 E CB -0.001 29.872 29.700 0.288 0.000 0.745 309 E HN 0.191 nan 8.360 nan 0.000 0.458 310 L N 0.388 121.695 121.223 0.140 0.000 2.083 310 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 310 L C 2.710 179.618 176.870 0.063 0.000 1.083 310 L CA 0.974 55.867 54.840 0.089 0.000 0.752 310 L CB -0.520 41.571 42.059 0.053 0.000 0.899 310 L HN 0.236 nan 8.230 nan 0.000 0.433 311 A N 0.139 122.990 122.820 0.051 0.000 1.933 311 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 311 A C 2.534 180.140 177.584 0.037 0.000 1.175 311 A CA 1.710 53.767 52.037 0.034 0.000 0.628 311 A CB -0.601 18.410 19.000 0.019 0.000 0.814 311 A HN 0.402 nan 8.150 nan 0.000 0.444 312 A N -0.106 122.736 122.820 0.036 0.000 1.898 312 A HA -0.047 4.272 4.320 -0.000 0.000 0.216 312 A C 2.102 179.739 177.584 0.088 0.000 1.181 312 A CA 1.440 53.498 52.037 0.035 0.000 0.620 312 A CB -0.572 18.432 19.000 0.008 0.000 0.819 312 A HN 0.493 nan 8.150 nan 0.000 0.442 313 I N -0.800 119.856 120.570 0.143 0.000 2.226 313 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 313 I C 2.775 179.050 176.117 0.263 0.000 1.100 313 I CA 1.331 62.785 61.300 0.257 0.000 1.374 313 I CB -0.337 37.781 38.000 0.197 0.000 1.057 313 I HN 0.300 nan 8.210 nan 0.000 0.413 314 R N 0.442 121.025 120.500 0.138 0.000 2.083 314 R HA -0.227 4.113 4.340 -0.000 0.000 0.237 314 R C 2.256 178.608 176.300 0.088 0.000 1.137 314 R CA 1.718 57.881 56.100 0.106 0.000 0.951 314 R CB -0.430 29.903 30.300 0.054 0.000 0.851 314 R HN 0.420 nan 8.270 nan 0.000 0.434 315 E N 0.500 120.730 120.200 0.051 0.000 2.110 315 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 315 E C 1.869 178.454 176.600 -0.026 0.000 0.988 315 E CA 1.174 57.581 56.400 0.011 0.000 0.804 315 E CB 0.230 29.928 29.700 -0.003 0.000 0.745 315 E HN 0.117 nan 8.360 nan 0.000 0.458 316 V N -0.041 119.843 119.914 -0.050 0.000 2.323 316 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 316 V C 1.732 177.604 176.094 -0.370 0.000 1.041 316 V CA 1.628 63.776 62.300 -0.254 0.000 1.025 316 V CB -0.414 31.165 31.823 -0.406 0.000 0.656 316 V HN 0.271 nan 8.190 nan 0.000 0.451 317 F N -0.079 119.870 119.950 -0.002 0.000 2.698 317 F HA 0.473 5.000 4.527 -0.000 0.000 0.295 317 F C 1.854 177.650 175.800 -0.007 0.000 1.124 317 F CA 0.654 58.651 58.000 -0.005 0.000 1.426 317 F CB -0.530 38.465 39.000 -0.008 0.000 1.120 317 F HN 0.278 nan 8.300 nan 0.000 0.583 318 G N 0.807 109.690 108.800 0.138 0.000 2.602 318 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.310 318 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.310 318 G C 0.311 175.260 174.900 0.081 0.000 1.183 318 G CA 0.672 45.819 45.100 0.079 0.000 0.979 318 G HN 0.247 nan 8.290 nan 0.000 0.545 319 D N 1.784 122.221 120.400 0.061 0.000 2.491 319 D HA 0.330 4.970 4.640 -0.000 0.000 0.228 319 D C 0.888 177.217 176.300 0.049 0.000 1.183 319 D CA 0.292 54.319 54.000 0.044 0.000 0.827 319 D CB 0.276 41.093 40.800 0.028 0.000 0.989 319 D HN 0.461 nan 8.370 nan 0.000 0.494 320 K N 0.211 120.661 120.400 0.083 0.000 3.123 320 K HA 0.135 4.455 4.320 -0.000 0.000 0.209 320 K C -0.193 176.449 176.600 0.069 0.000 1.132 320 K CA -0.264 56.070 56.287 0.078 0.000 0.992 320 K CB 0.947 33.511 32.500 0.107 0.000 0.773 320 K HN -0.047 nan 8.250 nan 0.000 0.458 321 S N 1.842 117.549 115.700 0.012 0.000 2.562 321 S HA 0.248 4.718 4.470 -0.000 0.000 0.281 321 S C -1.573 172.883 174.600 -0.240 0.000 1.333 321 S CA -0.930 57.189 58.200 -0.134 0.000 1.052 321 S CB 0.158 63.309 63.200 -0.082 0.000 0.884 321 S HN 0.164 nan 8.310 nan 0.000 0.506 322 P HA 0.449 nan 4.420 nan 0.000 0.281 322 P C -0.655 176.521 177.300 -0.208 0.000 1.281 322 P CA -0.766 62.138 63.100 -0.327 0.000 0.811 322 P CB 0.635 32.045 31.700 -0.483 0.000 1.154 323 A N 0.689 123.450 122.820 -0.099 0.000 2.462 323 A HA 0.461 4.781 4.320 -0.000 0.000 0.243 323 A C 0.232 177.801 177.584 -0.025 0.000 1.076 323 A CA 0.001 52.033 52.037 -0.009 0.000 0.773 323 A CB -0.714 18.341 19.000 0.091 0.000 1.010 323 A HN 0.460 nan 8.150 nan 0.000 0.493 324 I N 1.201 121.767 120.570 -0.006 0.000 2.647 324 I HA 0.548 4.718 4.170 -0.000 0.000 0.295 324 I C -0.053 176.137 176.117 0.123 0.000 1.078 324 I CA -0.261 61.015 61.300 -0.040 0.000 1.048 324 I CB 2.643 40.575 38.000 -0.114 0.000 1.239 324 I HN 0.782 nan 8.210 nan 0.000 0.421 325 S N 3.421 119.247 115.700 0.210 0.000 2.537 325 S HA 0.836 5.306 4.470 -0.000 0.000 0.271 325 S C -1.125 173.628 174.600 0.255 0.000 1.148 325 S CA -0.794 57.574 58.200 0.279 0.000 0.868 325 S CB 1.948 65.330 63.200 0.302 0.000 1.115 325 S HN 0.818 nan 8.310 nan 0.000 0.461 326 A N 2.174 125.133 122.820 0.231 0.000 2.322 326 A HA 0.599 4.919 4.320 -0.000 0.000 0.327 326 A C 1.172 178.798 177.584 0.070 0.000 1.394 326 A CA -0.210 51.897 52.037 0.116 0.000 0.921 326 A CB -0.161 18.824 19.000 -0.025 0.000 1.153 326 A HN 1.370 nan 8.150 nan 0.000 0.523 327 T N -0.300 114.307 114.554 0.088 0.000 3.007 327 T HA -0.064 4.286 4.350 -0.000 0.000 0.270 327 T C 1.690 176.389 174.700 -0.002 0.000 1.107 327 T CA 1.332 63.446 62.100 0.024 0.000 1.118 327 T CB -0.218 68.662 68.868 0.021 0.000 0.889 327 T HN 0.833 nan 8.240 nan 0.000 0.506 328 A N 1.609 124.438 122.820 0.016 0.000 2.019 328 A HA 0.325 4.645 4.320 -0.000 0.000 0.219 328 A C 2.749 180.325 177.584 -0.013 0.000 1.164 328 A CA 1.449 53.489 52.037 0.006 0.000 0.644 328 A CB -1.206 17.769 19.000 -0.041 0.000 0.805 328 A HN 0.714 nan 8.150 nan 0.000 0.449 329 A N -0.808 121.993 122.820 -0.032 0.000 2.019 329 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 329 A C 2.183 179.753 177.584 -0.024 0.000 1.164 329 A CA 1.794 53.811 52.037 -0.035 0.000 0.644 329 A CB -0.401 18.581 19.000 -0.031 0.000 0.805 329 A HN 0.561 nan 8.150 nan 0.000 0.449 330 M N -1.312 118.270 119.600 -0.031 0.000 2.412 330 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 330 M C 2.372 178.651 176.300 -0.034 0.000 1.122 330 M CA 1.706 56.980 55.300 -0.042 0.000 1.179 330 M CB -0.118 32.432 32.600 -0.083 0.000 1.335 330 M HN 0.588 nan 8.290 nan 0.000 0.465 331 T N -2.206 112.325 114.554 -0.038 0.000 3.054 331 T HA 0.404 4.754 4.350 -0.000 0.000 0.259 331 T C 1.038 175.758 174.700 0.033 0.000 1.092 331 T CA 0.465 62.560 62.100 -0.009 0.000 1.121 331 T CB -0.146 68.731 68.868 0.015 0.000 0.912 331 T HN 0.568 nan 8.240 nan 0.000 0.489 332 G N 0.905 109.736 108.800 0.052 0.000 2.728 332 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.294 332 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.294 332 G C -0.854 174.116 174.900 0.115 0.000 1.342 332 G CA -0.341 44.819 45.100 0.101 0.000 0.866 332 G HN 0.909 nan 8.290 nan 0.000 0.534 333 H N 0.054 119.143 119.070 0.032 0.000 2.581 333 H HA 0.613 5.169 4.556 -0.000 0.000 0.308 333 H C 1.480 176.755 175.328 -0.089 0.000 1.040 333 H CA 0.409 56.393 56.048 -0.107 0.000 1.231 333 H CB 0.946 30.502 29.762 -0.343 0.000 1.396 333 H HN 0.876 nan 8.280 nan 0.000 0.467 334 S N 5.139 120.569 115.700 -0.449 0.000 2.803 334 S HA 0.112 4.582 4.470 -0.000 0.000 0.228 334 S C 1.100 175.434 174.600 -0.443 0.000 0.953 334 S CA 0.058 58.051 58.200 -0.345 0.000 0.983 334 S CB -0.900 62.170 63.200 -0.217 0.000 0.784 334 S HN 0.771 nan 8.310 nan 0.000 0.498 335 L N -0.182 120.545 121.223 -0.827 0.000 5.154 335 L HA -0.353 3.987 4.340 -0.000 0.000 0.053 335 L C 2.265 178.968 176.870 -0.278 0.000 3.137 335 L CA 1.465 55.998 54.840 -0.512 0.000 1.466 335 L CB -2.051 39.879 42.059 -0.215 0.000 2.980 335 L HN 0.440 nan 8.230 nan 0.000 0.938 336 G N -1.106 107.621 108.800 -0.121 0.000 2.470 336 G HA2 0.043 4.003 3.960 -0.000 0.000 0.220 336 G HA3 0.043 4.003 3.960 -0.000 0.000 0.220 336 G C 1.241 176.095 174.900 -0.077 0.000 1.121 336 G CA 1.254 46.320 45.100 -0.056 0.000 0.766 336 G HN 0.855 nan 8.290 nan 0.000 0.553 337 A N 0.256 123.006 122.820 -0.116 0.000 2.238 337 A HA 0.660 4.980 4.320 -0.000 0.000 0.210 337 A C 2.524 180.009 177.584 -0.165 0.000 1.179 337 A CA 1.239 53.207 52.037 -0.115 0.000 0.827 337 A CB -0.176 18.768 19.000 -0.093 0.000 0.856 337 A HN 0.508 nan 8.150 nan 0.000 0.488 338 A N 0.136 122.828 122.820 -0.213 0.000 1.902 338 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 338 A C 2.328 179.828 177.584 -0.139 0.000 1.181 338 A CA 1.896 53.815 52.037 -0.196 0.000 0.623 338 A CB -1.266 17.577 19.000 -0.262 0.000 0.818 338 A HN 0.667 nan 8.150 nan 0.000 0.443 339 G N -0.837 107.895 108.800 -0.115 0.000 2.459 339 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 339 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 339 G C 1.660 176.465 174.900 -0.158 0.000 1.183 339 G CA 1.366 46.394 45.100 -0.121 0.000 0.776 339 G HN 0.593 nan 8.290 nan 0.000 0.552 340 V N 0.150 119.965 119.914 -0.165 0.000 2.453 340 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 340 V C 2.751 178.678 176.094 -0.278 0.000 1.048 340 V CA 2.436 64.624 62.300 -0.188 0.000 1.049 340 V CB -0.247 31.487 31.823 -0.148 0.000 0.672 340 V HN 0.519 nan 8.190 nan 0.000 0.457 341 Q N -0.409 119.189 119.800 -0.337 0.000 2.084 341 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 341 Q C 2.164 177.558 176.000 -1.011 0.000 0.978 341 Q CA 2.163 57.603 55.803 -0.605 0.000 0.844 341 Q CB -0.147 28.297 28.738 -0.489 0.000 0.898 341 Q HN 0.705 nan 8.270 nan 0.000 0.426 342 E N 0.417 120.268 120.200 -0.582 0.000 2.152 342 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 342 E C 1.875 178.351 176.600 -0.207 0.000 0.983 342 E CA 0.771 56.970 56.400 -0.335 0.000 0.818 342 E CB -0.027 29.636 29.700 -0.062 0.000 0.758 342 E HN 0.347 nan 8.360 nan 0.000 0.467 343 A N 0.818 123.508 122.820 -0.217 0.000 1.930 343 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 343 A C 2.112 179.598 177.584 -0.163 0.000 1.175 343 A CA 0.949 52.897 52.037 -0.148 0.000 0.627 343 A CB -0.436 18.473 19.000 -0.152 0.000 0.815 343 A HN 0.158 nan 8.150 nan 0.000 0.443 344 I N -1.535 118.875 120.570 -0.266 0.000 2.315 344 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 344 I C 2.241 178.310 176.117 -0.081 0.000 1.117 344 I CA 1.054 62.215 61.300 -0.231 0.000 1.404 344 I CB -0.391 37.443 38.000 -0.277 0.000 1.071 344 I HN 0.359 nan 8.210 nan 0.000 0.419 345 Y N 0.848 121.130 120.300 -0.029 0.000 2.181 345 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 345 Y C 2.946 178.831 175.900 -0.025 0.000 1.146 345 Y CA 0.759 58.854 58.100 -0.007 0.000 1.164 345 Y CB -1.365 37.100 38.460 0.008 0.000 0.982 345 Y HN 0.092 nan 8.280 nan 0.000 0.515 346 S N 0.175 115.961 115.700 0.144 0.000 2.368 346 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 346 S C 2.157 176.781 174.600 0.040 0.000 1.030 346 S CA 1.200 59.472 58.200 0.120 0.000 0.999 346 S CB -0.638 62.640 63.200 0.129 0.000 0.844 346 S HN 0.357 nan 8.310 nan 0.000 0.459 347 L N 0.870 122.096 121.223 0.005 0.000 2.093 347 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 347 L C 2.183 179.091 176.870 0.063 0.000 1.085 347 L CA 0.859 55.694 54.840 -0.009 0.000 0.755 347 L CB -0.508 41.464 42.059 -0.144 0.000 0.904 347 L HN 0.286 nan 8.230 nan 0.000 0.435 348 L N -1.090 120.195 121.223 0.103 0.000 2.056 348 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 348 L C 2.635 179.666 176.870 0.267 0.000 1.078 348 L CA 1.231 56.247 54.840 0.294 0.000 0.749 348 L CB -0.317 41.939 42.059 0.328 0.000 0.901 348 L HN 0.298 nan 8.230 nan 0.000 0.433 349 M N -0.815 118.727 119.600 -0.096 0.000 2.117 349 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 349 M C 2.299 178.494 176.300 -0.175 0.000 1.065 349 M CA 1.613 56.586 55.300 -0.545 0.000 1.114 349 M CB -0.315 31.805 32.600 -0.800 0.000 1.361 349 M HN 0.211 nan 8.290 nan 0.000 0.408 350 L N 0.565 121.754 121.223 -0.057 0.000 2.056 350 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 350 L C 2.247 179.138 176.870 0.034 0.000 1.078 350 L CA 2.013 56.855 54.840 0.003 0.000 0.749 350 L CB -0.596 41.482 42.059 0.032 0.000 0.901 350 L HN 0.214 nan 8.230 nan 0.000 0.433 351 E N -1.137 119.100 120.200 0.061 0.000 2.072 351 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 351 E C 1.792 178.277 176.600 -0.192 0.000 0.985 351 E CA 1.607 57.986 56.400 -0.035 0.000 0.801 351 E CB -0.143 29.574 29.700 0.029 0.000 0.750 351 E HN 0.639 nan 8.360 nan 0.000 0.452 352 H N -1.176 118.021 119.070 0.213 0.000 2.551 352 H HA 0.281 4.837 4.556 -0.000 0.000 0.271 352 H C 0.526 176.010 175.328 0.260 0.000 0.984 352 H CA 0.536 56.730 56.048 0.243 0.000 1.164 352 H CB 0.459 30.412 29.762 0.319 0.000 1.437 352 H HN 0.275 nan 8.280 nan 0.000 0.550 353 G N 2.018 110.961 108.800 0.238 0.000 2.367 353 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.295 353 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.295 353 G C -0.248 174.804 174.900 0.253 0.000 1.019 353 G CA 0.753 45.952 45.100 0.165 0.000 1.224 353 G HN 0.532 nan 8.290 nan 0.000 0.510 354 F N -1.584 118.356 119.950 -0.016 0.000 2.741 354 F HA 0.795 5.322 4.527 -0.000 0.000 0.311 354 F C -0.984 174.723 175.800 -0.155 0.000 1.149 354 F CA -2.168 55.797 58.000 -0.058 0.000 0.930 354 F CB 1.129 40.109 39.000 -0.034 0.000 1.312 354 F HN 0.085 nan 8.300 nan 0.000 0.450 355 I N 2.810 123.220 120.570 -0.267 0.000 2.389 355 I HA 0.617 4.787 4.170 -0.000 0.000 0.288 355 I C 0.080 176.055 176.117 -0.238 0.000 0.999 355 I CA -1.103 59.880 61.300 -0.528 0.000 1.129 355 I CB 1.707 39.513 38.000 -0.323 0.000 1.288 355 I HN 0.967 nan 8.210 nan 0.000 0.444 356 A N 9.270 131.870 122.820 -0.367 0.000 2.425 356 A HA 0.479 4.799 4.320 -0.000 0.000 0.249 356 A C -2.327 175.259 177.584 0.004 0.000 1.084 356 A CA -1.029 50.998 52.037 -0.016 0.000 0.781 356 A CB -0.322 18.653 19.000 -0.043 0.000 1.019 356 A HN 0.425 nan 8.150 nan 0.000 0.490 357 P HA 0.129 nan 4.420 nan 0.000 0.277 357 P C -0.343 176.994 177.300 0.062 0.000 1.240 357 P CA -0.216 62.915 63.100 0.052 0.000 0.798 357 P CB 1.166 32.892 31.700 0.043 0.000 0.979 358 S N 2.294 118.045 115.700 0.086 0.000 2.415 358 S HA 0.385 4.855 4.470 -0.000 0.000 0.313 358 S C 0.592 175.238 174.600 0.076 0.000 1.067 358 S CA -0.793 57.472 58.200 0.109 0.000 1.099 358 S CB -1.221 62.093 63.200 0.190 0.000 0.991 358 S HN 0.332 nan 8.310 nan 0.000 0.491 359 I N 1.947 122.542 120.570 0.041 0.000 3.110 359 I HA 0.509 4.679 4.170 -0.000 0.000 0.314 359 I C 0.301 176.426 176.117 0.013 0.000 1.020 359 I CA -0.655 60.658 61.300 0.023 0.000 1.169 359 I CB 0.357 38.359 38.000 0.004 0.000 1.437 359 I HN 0.505 nan 8.210 nan 0.000 0.595 360 N N 1.090 119.792 118.700 0.003 0.000 2.741 360 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 360 N C -0.634 174.880 175.510 0.007 0.000 1.115 360 N CA 0.895 53.936 53.050 -0.014 0.000 0.724 360 N CB -1.530 36.922 38.487 -0.059 0.000 1.090 360 N HN 0.611 nan 8.380 nan 0.000 0.558 361 I N 1.189 121.782 120.570 0.038 0.000 2.276 361 I HA 0.062 4.232 4.170 -0.000 0.000 0.290 361 I C 1.413 177.565 176.117 0.058 0.000 1.109 361 I CA -0.148 61.190 61.300 0.063 0.000 1.229 361 I CB 0.422 38.475 38.000 0.089 0.000 1.452 361 I HN 0.028 nan 8.210 nan 0.000 0.497 362 E N 3.859 124.099 120.200 0.067 0.000 2.170 362 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 362 E C 0.504 177.156 176.600 0.088 0.000 0.981 362 E CA 0.564 57.007 56.400 0.072 0.000 0.830 362 E CB 0.501 30.248 29.700 0.079 0.000 0.775 362 E HN 0.526 nan 8.360 nan 0.000 0.470 363 E N 1.216 121.479 120.200 0.106 0.000 2.432 363 E HA 0.145 4.495 4.350 -0.000 0.000 0.272 363 E C -1.424 175.213 176.600 0.063 0.000 0.937 363 E CA -0.535 55.920 56.400 0.092 0.000 0.812 363 E CB 1.073 30.855 29.700 0.138 0.000 1.377 363 E HN -0.062 nan 8.360 nan 0.000 0.399 364 L N 3.995 125.249 121.223 0.051 0.000 2.490 364 L HA 0.096 4.436 4.340 -0.000 0.000 0.274 364 L C 0.210 177.099 176.870 0.031 0.000 1.201 364 L CA 0.593 55.462 54.840 0.048 0.000 0.869 364 L CB 0.620 42.696 42.059 0.027 0.000 1.123 364 L HN 0.553 nan 8.230 nan 0.000 0.484 365 D N 3.400 123.827 120.400 0.046 0.000 2.443 365 D HA -0.075 4.565 4.640 -0.000 0.000 0.239 365 D C 0.957 177.267 176.300 0.017 0.000 1.136 365 D CA 0.462 54.479 54.000 0.028 0.000 0.879 365 D CB 0.966 41.805 40.800 0.066 0.000 1.195 365 D HN 0.825 nan 8.370 nan 0.000 0.443 366 E N 2.197 122.401 120.200 0.007 0.000 2.209 366 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 366 E C 1.000 177.603 176.600 0.006 0.000 0.993 366 E CA 1.052 57.455 56.400 0.005 0.000 0.819 366 E CB -0.128 29.574 29.700 0.003 0.000 0.745 366 E HN 0.550 nan 8.360 nan 0.000 0.477 367 Q N -0.096 119.713 119.800 0.014 0.000 2.482 367 Q HA 0.124 4.464 4.340 -0.000 0.000 0.209 367 Q C 1.160 177.162 176.000 0.004 0.000 0.961 367 Q CA 0.588 56.401 55.803 0.016 0.000 0.945 367 Q CB 0.450 29.207 28.738 0.031 0.000 1.012 367 Q HN 0.438 nan 8.270 nan 0.000 0.515 368 A N 0.138 122.951 122.820 -0.012 0.000 2.470 368 A HA 0.484 4.804 4.320 -0.000 0.000 0.251 368 A C 0.698 178.238 177.584 -0.074 0.000 1.245 368 A CA -0.175 51.819 52.037 -0.071 0.000 0.932 368 A CB 0.352 19.283 19.000 -0.114 0.000 1.037 368 A HN 0.246 nan 8.150 nan 0.000 0.522 369 A N -1.157 121.640 122.820 -0.038 0.000 2.445 369 A HA 0.481 4.801 4.320 -0.000 0.000 0.242 369 A C 1.614 179.178 177.584 -0.033 0.000 1.075 369 A CA 0.626 52.645 52.037 -0.031 0.000 0.777 369 A CB -0.326 18.665 19.000 -0.014 0.000 1.013 369 A HN 1.894 nan 8.150 nan 0.000 0.493 370 G N 0.120 108.902 108.800 -0.031 0.000 2.225 370 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.254 370 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.254 370 G C 0.123 175.000 174.900 -0.039 0.000 0.988 370 G CA 0.450 45.534 45.100 -0.027 0.000 0.625 370 G HN 0.787 nan 8.290 nan 0.000 0.527 371 L N 0.353 121.539 121.223 -0.062 0.000 2.360 371 L HA 0.511 4.851 4.340 -0.000 0.000 0.271 371 L C 0.490 177.310 176.870 -0.084 0.000 1.057 371 L CA -1.011 53.778 54.840 -0.084 0.000 0.803 371 L CB 1.294 43.277 42.059 -0.127 0.000 1.207 371 L HN 0.115 nan 8.230 nan 0.000 0.445 372 N N 2.692 121.344 118.700 -0.081 0.000 3.034 372 N HA 0.160 4.900 4.740 -0.000 0.000 0.265 372 N C -0.791 174.683 175.510 -0.061 0.000 1.166 372 N CA -0.310 52.705 53.050 -0.058 0.000 1.081 372 N CB 0.007 38.469 38.487 -0.042 0.000 1.378 372 N HN 0.297 nan 8.380 nan 0.000 0.520 373 I N 3.259 123.782 120.570 -0.079 0.000 2.308 373 I HA 0.107 4.277 4.170 -0.000 0.000 0.293 373 I C 0.148 176.265 176.117 0.000 0.000 1.078 373 I CA -0.638 60.619 61.300 -0.072 0.000 1.292 373 I CB 0.392 38.307 38.000 -0.141 0.000 1.423 373 I HN 0.061 nan 8.210 nan 0.000 0.493 374 V N 7.222 127.161 119.914 0.042 0.000 2.446 374 V HA 0.051 4.171 4.120 -0.000 0.000 0.276 374 V C 1.470 177.600 176.094 0.059 0.000 1.030 374 V CA 0.175 62.506 62.300 0.051 0.000 1.033 374 V CB 0.527 32.389 31.823 0.065 0.000 0.993 374 V HN 0.904 nan 8.190 nan 0.000 0.477 375 T N 0.656 115.236 114.554 0.044 0.000 3.054 375 T HA 0.260 4.610 4.350 -0.000 0.000 0.255 375 T C 0.219 174.941 174.700 0.036 0.000 1.035 375 T CA -0.177 61.950 62.100 0.045 0.000 0.941 375 T CB -0.131 68.761 68.868 0.040 0.000 1.026 375 T HN 0.820 nan 8.240 nan 0.000 0.533 376 E N 0.440 120.660 120.200 0.034 0.000 2.308 376 E HA 0.423 4.773 4.350 -0.000 0.000 0.275 376 E C -1.386 175.236 176.600 0.037 0.000 0.890 376 E CA -1.051 55.366 56.400 0.029 0.000 0.754 376 E CB 1.042 30.754 29.700 0.021 0.000 1.207 376 E HN -0.103 nan 8.360 nan 0.000 0.426 377 T N 2.686 117.265 114.554 0.042 0.000 2.849 377 T HA 0.072 4.422 4.350 -0.000 0.000 0.289 377 T C -0.382 174.358 174.700 0.067 0.000 1.010 377 T CA 0.513 62.657 62.100 0.074 0.000 1.161 377 T CB 0.103 68.997 68.868 0.043 0.000 0.989 377 T HN 0.460 nan 8.240 nan 0.000 0.523 378 T N 4.215 118.825 114.554 0.094 0.000 2.840 378 T HA 0.226 4.576 4.350 -0.000 0.000 0.287 378 T C -0.448 174.311 174.700 0.099 0.000 0.991 378 T CA -0.934 61.206 62.100 0.067 0.000 0.964 378 T CB 1.102 69.992 68.868 0.036 0.000 0.954 378 T HN 0.454 nan 8.240 nan 0.000 0.438 379 D N 3.064 123.514 120.400 0.083 0.000 2.383 379 D HA 0.325 4.965 4.640 -0.000 0.000 0.252 379 D C 0.359 176.699 176.300 0.067 0.000 1.166 379 D CA 0.221 54.281 54.000 0.099 0.000 0.879 379 D CB 1.061 41.899 40.800 0.063 0.000 1.164 379 D HN 0.408 nan 8.370 nan 0.000 0.462 380 R N 1.499 122.041 120.500 0.069 0.000 2.604 380 R HA 0.098 4.438 4.340 -0.000 0.000 0.261 380 R C -1.236 175.085 176.300 0.035 0.000 1.080 380 R CA -0.596 55.526 56.100 0.038 0.000 0.917 380 R CB 1.495 31.806 30.300 0.017 0.000 1.252 380 R HN 0.281 nan 8.270 nan 0.000 0.456 381 E N 4.722 124.939 120.200 0.029 0.000 2.003 381 E HA 0.161 4.511 4.350 -0.000 0.000 0.279 381 E C -0.572 176.039 176.600 0.019 0.000 1.132 381 E CA -0.166 56.250 56.400 0.027 0.000 0.888 381 E CB 0.494 30.208 29.700 0.023 0.000 1.056 381 E HN 0.336 nan 8.360 nan 0.000 0.399 382 L N 3.055 124.287 121.223 0.015 0.000 2.357 382 L HA 0.284 4.624 4.340 -0.000 0.000 0.273 382 L C 1.059 177.941 176.870 0.021 0.000 1.080 382 L CA -0.336 54.513 54.840 0.016 0.000 0.803 382 L CB 1.559 43.620 42.059 0.002 0.000 1.174 382 L HN 0.527 nan 8.230 nan 0.000 0.443 383 T N -1.309 113.261 114.554 0.027 0.000 3.075 383 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 383 T C 0.273 174.992 174.700 0.031 0.000 0.979 383 T CA 0.307 62.422 62.100 0.025 0.000 1.033 383 T CB 0.672 69.553 68.868 0.021 0.000 1.104 383 T HN 0.594 nan 8.240 nan 0.000 0.473 384 T N 2.953 117.530 114.554 0.039 0.000 2.841 384 T HA 0.686 5.036 4.350 -0.000 0.000 0.285 384 T C -0.759 173.975 174.700 0.056 0.000 0.991 384 T CA -0.695 61.431 62.100 0.045 0.000 0.966 384 T CB 2.016 70.912 68.868 0.046 0.000 0.962 384 T HN 0.230 nan 8.240 nan 0.000 0.438 385 V N 1.075 121.024 119.914 0.059 0.000 2.914 385 V HA 0.869 4.989 4.120 -0.000 0.000 0.314 385 V C -0.679 175.430 176.094 0.025 0.000 1.084 385 V CA -1.231 61.108 62.300 0.065 0.000 0.963 385 V CB 2.166 34.072 31.823 0.138 0.000 1.025 385 V HN 0.976 nan 8.190 nan 0.000 0.432 386 M N 2.845 122.424 119.600 -0.034 0.000 2.464 386 M HA 0.751 5.231 4.480 -0.000 0.000 0.308 386 M C -1.056 175.193 176.300 -0.085 0.000 1.127 386 M CA -0.282 55.002 55.300 -0.027 0.000 0.913 386 M CB 2.224 34.838 32.600 0.023 0.000 1.689 386 M HN 0.971 nan 8.290 nan 0.000 0.445 387 S N 3.250 118.917 115.700 -0.056 0.000 2.672 387 S HA 0.578 5.048 4.470 -0.000 0.000 0.291 387 S C -1.462 173.074 174.600 -0.107 0.000 1.145 387 S CA -0.786 57.367 58.200 -0.078 0.000 1.013 387 S CB 0.949 64.114 63.200 -0.059 0.000 1.017 387 S HN 0.846 nan 8.310 nan 0.000 0.487 388 N N 2.099 120.708 118.700 -0.152 0.000 2.456 388 N HA 0.573 5.313 4.740 -0.000 0.000 0.296 388 N C -1.258 173.963 175.510 -0.481 0.000 1.102 388 N CA -0.424 52.416 53.050 -0.350 0.000 0.924 388 N CB 1.877 40.136 38.487 -0.380 0.000 1.186 388 N HN 0.472 nan 8.380 nan 0.000 0.492 389 S N 1.215 116.449 115.700 -0.777 0.000 2.677 389 S HA 0.585 5.055 4.470 -0.000 0.000 0.283 389 S C -1.292 172.705 174.600 -1.004 0.000 1.159 389 S CA -0.595 57.214 58.200 -0.652 0.000 1.001 389 S CB 0.514 63.542 63.200 -0.287 0.000 1.032 389 S HN 0.294 nan 8.310 nan 0.000 0.487 390 F N 1.019 120.447 119.950 -0.870 0.000 2.561 390 F HA 0.881 5.408 4.527 -0.000 0.000 0.321 390 F C 0.801 176.386 175.800 -0.358 0.000 1.065 390 F CA -0.760 56.922 58.000 -0.530 0.000 0.934 390 F CB 1.955 40.673 39.000 -0.469 0.000 1.215 390 F HN 0.675 nan 8.300 nan 0.000 0.471 391 G N 0.529 109.396 108.800 0.112 0.000 2.680 391 G HA2 0.553 4.513 3.960 -0.000 0.000 0.290 391 G HA3 0.553 4.513 3.960 -0.000 0.000 0.290 391 G C -1.327 173.747 174.900 0.290 0.000 1.355 391 G CA -0.859 44.317 45.100 0.128 0.000 0.903 391 G HN 0.478 nan 8.290 nan 0.000 0.474 392 F N 0.053 120.088 119.950 0.141 0.000 2.545 392 F HA 0.309 4.836 4.527 -0.000 0.000 0.348 392 F C 1.669 177.525 175.800 0.094 0.000 1.163 392 F CA 1.246 59.317 58.000 0.119 0.000 1.331 392 F CB 0.999 40.080 39.000 0.136 0.000 1.138 392 F HN 0.894 nan 8.300 nan 0.000 0.602 393 G N 0.969 109.914 108.800 0.241 0.000 2.157 393 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.239 393 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.239 393 G C 0.682 175.650 174.900 0.112 0.000 0.982 393 G CA 0.075 45.260 45.100 0.141 0.000 0.650 393 G HN 1.735 nan 8.290 nan 0.000 0.527 394 G N -1.042 107.833 108.800 0.124 0.000 2.273 394 G HA2 0.056 4.016 3.960 -0.000 0.000 0.280 394 G HA3 0.056 4.016 3.960 -0.000 0.000 0.280 394 G C 0.410 175.374 174.900 0.107 0.000 1.047 394 G CA 1.431 46.583 45.100 0.087 0.000 0.869 394 G HN 1.977 nan 8.290 nan 0.000 0.502 395 T N 0.378 115.027 114.554 0.159 0.000 2.799 395 T HA 0.565 4.915 4.350 -0.000 0.000 0.286 395 T C 0.030 174.890 174.700 0.267 0.000 0.973 395 T CA -0.553 61.667 62.100 0.201 0.000 1.035 395 T CB 0.334 69.335 68.868 0.222 0.000 0.932 395 T HN 0.326 nan 8.240 nan 0.000 0.469 396 N N 2.864 121.737 118.700 0.288 0.000 2.269 396 N HA 0.700 5.440 4.740 -0.000 0.000 0.304 396 N C -1.299 174.316 175.510 0.176 0.000 1.072 396 N CA -0.635 52.604 53.050 0.316 0.000 0.802 396 N CB 2.144 40.839 38.487 0.347 0.000 1.348 396 N HN 0.747 nan 8.380 nan 0.000 0.484 397 A N 0.722 123.495 122.820 -0.079 0.000 2.449 397 A HA 0.792 5.112 4.320 -0.000 0.000 0.302 397 A C -0.847 176.644 177.584 -0.156 0.000 1.048 397 A CA -0.479 51.444 52.037 -0.189 0.000 0.708 397 A CB 1.448 20.083 19.000 -0.609 0.000 1.274 397 A HN 0.457 nan 8.150 nan 0.000 0.410 398 T N 2.053 116.593 114.554 -0.024 0.000 2.952 398 T HA 0.603 4.953 4.350 -0.000 0.000 0.305 398 T C -1.000 173.749 174.700 0.083 0.000 1.064 398 T CA -0.252 61.841 62.100 -0.012 0.000 1.008 398 T CB 0.953 69.834 68.868 0.022 0.000 1.078 398 T HN 0.514 nan 8.240 nan 0.000 0.459 399 L N 2.577 123.824 121.223 0.040 0.000 2.365 399 L HA 0.803 5.143 4.340 -0.000 0.000 0.273 399 L C -0.900 175.993 176.870 0.039 0.000 1.000 399 L CA -1.144 53.731 54.840 0.059 0.000 0.819 399 L CB 2.153 44.211 42.059 -0.002 0.000 1.284 399 L HN 0.339 nan 8.230 nan 0.000 0.418 400 V N 3.794 123.740 119.914 0.055 0.000 2.444 400 V HA 0.522 4.642 4.120 -0.000 0.000 0.294 400 V C -0.215 175.900 176.094 0.036 0.000 1.022 400 V CA -0.345 61.983 62.300 0.048 0.000 0.850 400 V CB 1.837 33.699 31.823 0.064 0.000 0.992 400 V HN 0.710 nan 8.190 nan 0.000 0.426 401 M N 5.110 124.726 119.600 0.028 0.000 2.393 401 M HA 0.676 5.156 4.480 -0.000 0.000 0.316 401 M C -0.538 175.778 176.300 0.028 0.000 1.087 401 M CA -0.400 54.913 55.300 0.020 0.000 0.937 401 M CB 2.550 35.156 32.600 0.009 0.000 1.668 401 M HN 0.569 nan 8.290 nan 0.000 0.438 402 R N 1.479 121.993 120.500 0.022 0.000 2.673 402 R HA 0.478 4.818 4.340 -0.000 0.000 0.281 402 R C -1.135 175.173 176.300 0.013 0.000 0.991 402 R CA -0.798 55.315 56.100 0.022 0.000 0.896 402 R CB 2.024 32.338 30.300 0.023 0.000 1.201 402 R HN 0.652 nan 8.270 nan 0.000 0.457 403 K N 2.069 122.476 120.400 0.011 0.000 2.380 403 K HA 0.024 4.344 4.320 -0.000 0.000 0.267 403 K C -0.373 176.223 176.600 -0.007 0.000 0.990 403 K CA -0.122 56.164 56.287 -0.001 0.000 0.946 403 K CB 0.414 32.913 32.500 -0.000 0.000 0.937 403 K HN 0.260 nan 8.250 nan 0.000 0.491 404 L N 3.264 124.475 121.223 -0.021 0.000 2.292 404 L HA 0.109 4.449 4.340 -0.000 0.000 0.284 404 L C -0.339 176.519 176.870 -0.019 0.000 1.065 404 L CA 0.149 54.976 54.840 -0.022 0.000 0.806 404 L CB 0.756 42.794 42.059 -0.035 0.000 1.175 404 L HN 0.380 nan 8.230 nan 0.000 0.431 405 K N 4.711 125.104 120.400 -0.012 0.000 2.405 405 K HA -0.007 4.313 4.320 -0.000 0.000 0.273 405 K C 0.124 176.716 176.600 -0.012 0.000 1.116 405 K CA 0.844 57.126 56.287 -0.009 0.000 1.155 405 K CB -0.546 31.951 32.500 -0.005 0.000 0.858 405 K HN 0.947 nan 8.250 nan 0.000 0.477 406 D N 0.000 120.393 120.400 -0.012 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 -0.013 0.000 0.868 406 D CB 0.000 40.795 40.800 -0.009 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683