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 2byz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG 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 PIDYLNSQGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 K N 1.776 122.180 120.400 0.006 0.000 2.414 2 K HA 0.330 4.650 4.320 -0.000 0.000 0.272 2 K C -0.681 175.918 176.600 -0.001 0.000 0.993 2 K CA 0.256 56.543 56.287 0.001 0.000 0.964 2 K CB 0.275 32.773 32.500 -0.004 0.000 0.925 2 K HN 0.572 nan 8.250 nan 0.000 0.487 3 R N 0.386 120.882 120.500 -0.006 0.000 2.532 3 R HA 0.525 4.865 4.340 -0.000 0.000 0.295 3 R C -0.515 175.773 176.300 -0.020 0.000 0.968 3 R CA -0.687 55.407 56.100 -0.009 0.000 0.916 3 R CB 1.752 32.047 30.300 -0.008 0.000 1.124 3 R HN 0.645 nan 8.270 nan 0.000 0.463 4 A N 2.425 125.230 122.820 -0.025 0.000 2.318 4 A HA 0.624 4.944 4.320 -0.000 0.000 0.324 4 A C -0.364 177.193 177.584 -0.044 0.000 1.170 4 A CA -0.671 51.340 52.037 -0.044 0.000 0.810 4 A CB 1.062 20.028 19.000 -0.057 0.000 1.198 4 A HN 0.532 nan 8.150 nan 0.000 0.484 5 V N 0.205 120.088 119.914 -0.050 0.000 3.001 5 V HA 0.720 4.840 4.120 -0.000 0.000 0.314 5 V C -0.633 175.433 176.094 -0.047 0.000 1.099 5 V CA -1.104 61.170 62.300 -0.043 0.000 0.989 5 V CB 1.753 33.551 31.823 -0.041 0.000 1.040 5 V HN 0.614 nan 8.190 nan 0.000 0.434 6 I N 3.116 123.674 120.570 -0.019 0.000 2.315 6 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 6 I C 1.170 177.345 176.117 0.097 0.000 1.006 6 I CA 0.200 61.504 61.300 0.007 0.000 1.265 6 I CB 1.138 39.136 38.000 -0.002 0.000 1.387 6 I HN 1.045 nan 8.210 nan 0.000 0.475 7 T N 1.137 115.737 114.554 0.076 0.000 3.040 7 T HA 0.460 4.810 4.350 -0.000 0.000 0.266 7 T C 0.567 175.400 174.700 0.222 0.000 1.005 7 T CA -0.265 61.895 62.100 0.100 0.000 0.906 7 T CB 0.575 69.452 68.868 0.016 0.000 1.082 7 T HN 0.743 nan 8.240 nan 0.000 0.531 8 G N 1.377 110.314 108.800 0.230 0.000 2.667 8 G HA2 0.567 4.527 3.960 -0.000 0.000 0.294 8 G HA3 0.567 4.527 3.960 -0.000 0.000 0.294 8 G C -1.979 172.954 174.900 0.054 0.000 1.467 8 G CA -0.970 44.264 45.100 0.224 0.000 0.852 8 G HN 0.603 nan 8.290 nan 0.000 0.521 9 L N -1.034 120.196 121.223 0.011 0.000 2.415 9 L HA 1.075 5.415 4.340 -0.000 0.000 0.256 9 L C -0.010 176.826 176.870 -0.056 0.000 1.010 9 L CA -0.957 53.822 54.840 -0.101 0.000 0.826 9 L CB 1.919 43.817 42.059 -0.267 0.000 1.405 9 L HN 1.240 nan 8.230 nan 0.000 0.410 10 G N 0.545 109.300 108.800 -0.076 0.000 2.746 10 G HA2 0.739 4.699 3.960 -0.000 0.000 0.297 10 G HA3 0.739 4.699 3.960 -0.000 0.000 0.297 10 G C -2.114 172.750 174.900 -0.061 0.000 1.426 10 G CA -0.576 44.492 45.100 -0.053 0.000 0.989 10 G HN 1.010 nan 8.290 nan 0.000 0.520 11 I N 0.660 121.208 120.570 -0.037 0.000 2.842 11 I HA 0.623 4.793 4.170 -0.000 0.000 0.297 11 I C -1.543 174.561 176.117 -0.023 0.000 1.380 11 I CA -0.974 60.300 61.300 -0.043 0.000 1.018 11 I CB 2.353 40.318 38.000 -0.057 0.000 1.311 11 I HN 0.360 nan 8.210 nan 0.000 0.439 12 V N 6.213 126.099 119.914 -0.046 0.000 2.398 12 V HA 0.571 4.691 4.120 -0.000 0.000 0.282 12 V C -0.321 175.684 176.094 -0.150 0.000 1.014 12 V CA -0.222 62.031 62.300 -0.080 0.000 0.838 12 V CB 1.233 33.014 31.823 -0.070 0.000 1.018 12 V HN 0.815 nan 8.190 nan 0.000 0.432 13 S N 2.210 117.850 115.700 -0.100 0.000 2.697 13 S HA 0.462 4.932 4.470 -0.000 0.000 0.289 13 S C 1.088 175.637 174.600 -0.085 0.000 1.149 13 S CA 0.077 58.226 58.200 -0.084 0.000 0.850 13 S CB 1.824 65.058 63.200 0.058 0.000 1.151 13 S HN 0.892 nan 8.310 nan 0.000 0.491 14 S N 0.341 115.997 115.700 -0.073 0.000 2.469 14 S HA -0.078 4.392 4.470 -0.000 0.000 0.238 14 S C 1.361 175.941 174.600 -0.033 0.000 0.998 14 S CA 1.042 59.203 58.200 -0.066 0.000 0.957 14 S CB -1.151 62.022 63.200 -0.046 0.000 0.764 14 S HN 1.036 nan 8.310 nan 0.000 0.514 15 I N -2.761 117.798 120.570 -0.019 0.000 3.927 15 I HA 0.686 4.856 4.170 -0.000 0.000 0.332 15 I C 0.511 176.621 176.117 -0.012 0.000 1.485 15 I CA -0.454 60.830 61.300 -0.026 0.000 1.131 15 I CB 0.286 38.245 38.000 -0.070 0.000 1.092 15 I HN 0.266 nan 8.210 nan 0.000 0.410 16 G N 1.118 109.915 108.800 -0.005 0.000 2.386 16 G HA2 0.041 4.001 3.960 -0.000 0.000 0.302 16 G HA3 0.041 4.001 3.960 -0.000 0.000 0.302 16 G C -0.902 173.997 174.900 -0.001 0.000 1.629 16 G CA -0.656 44.445 45.100 0.002 0.000 0.917 16 G HN 0.019 nan 8.290 nan 0.000 0.676 17 N N 0.197 118.897 118.700 -0.001 0.000 2.230 17 N HA 0.123 4.863 4.740 -0.000 0.000 0.202 17 N C 0.307 175.825 175.510 0.013 0.000 1.119 17 N CA 0.534 53.585 53.050 0.001 0.000 0.851 17 N CB 0.406 38.897 38.487 0.006 0.000 0.990 17 N HN 0.834 nan 8.380 nan 0.000 0.497 18 N N -1.649 117.061 118.700 0.017 0.000 3.185 18 N HA -0.030 4.710 4.740 -0.000 0.000 0.238 18 N C 0.352 175.881 175.510 0.031 0.000 1.451 18 N CA -0.671 52.392 53.050 0.023 0.000 0.888 18 N CB 0.495 38.996 38.487 0.024 0.000 1.413 18 N HN -0.149 nan 8.380 nan 0.000 0.511 19 Q N -1.206 118.617 119.800 0.039 0.000 2.291 19 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 19 Q C 0.710 176.738 176.000 0.046 0.000 0.976 19 Q CA 1.473 57.310 55.803 0.056 0.000 0.875 19 Q CB -0.230 28.552 28.738 0.074 0.000 0.927 19 Q HN 0.625 nan 8.270 nan 0.000 0.450 20 Q N 1.208 121.024 119.800 0.026 0.000 2.083 20 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 20 Q C 1.714 177.702 176.000 -0.020 0.000 0.969 20 Q CA 1.816 57.615 55.803 -0.006 0.000 0.838 20 Q CB 0.102 28.837 28.738 -0.005 0.000 0.900 20 Q HN 0.568 nan 8.270 nan 0.000 0.436 21 E N -0.532 119.665 120.200 -0.005 0.000 2.106 21 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 21 E C 1.929 178.522 176.600 -0.010 0.000 0.984 21 E CA 1.222 57.615 56.400 -0.012 0.000 0.806 21 E CB 0.032 29.730 29.700 -0.003 0.000 0.750 21 E HN 0.110 nan 8.360 nan 0.000 0.458 22 V N 1.512 121.437 119.914 0.018 0.000 2.358 22 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 22 V C 2.303 178.411 176.094 0.023 0.000 1.047 22 V CA 1.362 63.687 62.300 0.042 0.000 1.035 22 V CB -0.399 31.504 31.823 0.134 0.000 0.658 22 V HN 0.237 nan 8.190 nan 0.000 0.452 23 L N 1.191 122.424 121.223 0.017 0.000 2.013 23 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 23 L C 2.441 179.245 176.870 -0.111 0.000 1.073 23 L CA 2.577 57.404 54.840 -0.022 0.000 0.753 23 L CB -1.065 40.915 42.059 -0.133 0.000 0.890 23 L HN 0.221 nan 8.230 nan 0.000 0.432 24 A N -1.404 121.349 122.820 -0.112 0.000 1.877 24 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 24 A C 2.385 179.904 177.584 -0.108 0.000 1.186 24 A CA 2.071 54.032 52.037 -0.127 0.000 0.620 24 A CB -1.064 17.881 19.000 -0.091 0.000 0.822 24 A HN 0.561 nan 8.150 nan 0.000 0.443 25 S N -0.087 115.568 115.700 -0.076 0.000 2.368 25 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 25 S C 1.833 176.386 174.600 -0.079 0.000 1.030 25 S CA 1.510 59.667 58.200 -0.073 0.000 0.999 25 S CB -0.485 62.673 63.200 -0.070 0.000 0.844 25 S HN 0.507 nan 8.310 nan 0.000 0.459 26 L N 0.787 121.972 121.223 -0.064 0.000 2.046 26 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 26 L C 2.726 179.608 176.870 0.019 0.000 1.077 26 L CA 1.276 56.119 54.840 0.005 0.000 0.747 26 L CB -0.437 41.717 42.059 0.158 0.000 0.896 26 L HN 0.211 nan 8.230 nan 0.000 0.432 27 R N 0.037 120.436 120.500 -0.168 0.000 2.115 27 R HA -0.135 4.205 4.340 -0.000 0.000 0.230 27 R C 1.856 178.063 176.300 -0.156 0.000 1.111 27 R CA 1.178 57.085 56.100 -0.321 0.000 0.976 27 R CB -0.076 29.917 30.300 -0.512 0.000 0.870 27 R HN 0.460 nan 8.270 nan 0.000 0.445 28 E N -0.854 119.276 120.200 -0.116 0.000 2.474 28 E HA 0.074 4.424 4.350 -0.000 0.000 0.194 28 E C 0.606 177.176 176.600 -0.050 0.000 1.041 28 E CA 0.293 56.646 56.400 -0.078 0.000 0.874 28 E CB 0.660 30.316 29.700 -0.074 0.000 0.914 28 E HN 0.450 nan 8.360 nan 0.000 0.498 29 G N 2.572 111.346 108.800 -0.044 0.000 2.221 29 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.265 29 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.265 29 G C -0.125 174.753 174.900 -0.037 0.000 1.041 29 G CA 0.098 45.179 45.100 -0.032 0.000 0.807 29 G HN 0.150 nan 8.290 nan 0.000 0.502 30 R N 0.381 120.854 120.500 -0.045 0.000 2.347 30 R HA 0.425 4.765 4.340 -0.000 0.000 0.304 30 R C 0.840 177.118 176.300 -0.036 0.000 1.072 30 R CA 0.287 56.365 56.100 -0.037 0.000 0.980 30 R CB 1.036 31.314 30.300 -0.038 0.000 0.986 30 R HN 0.254 nan 8.270 nan 0.000 0.448 31 S N 1.039 116.728 115.700 -0.019 0.000 2.565 31 S HA 0.225 4.695 4.470 -0.000 0.000 0.276 31 S C 1.019 175.620 174.600 0.002 0.000 1.326 31 S CA -0.399 57.795 58.200 -0.009 0.000 1.045 31 S CB 1.068 64.272 63.200 0.007 0.000 0.918 31 S HN 0.766 nan 8.310 nan 0.000 0.505 32 G N 3.799 112.602 108.800 0.006 0.000 3.453 32 G HA2 0.257 4.217 3.960 -0.000 0.000 0.263 32 G HA3 0.257 4.217 3.960 -0.000 0.000 0.263 32 G C 0.025 174.959 174.900 0.057 0.000 1.060 32 G CA -0.266 44.844 45.100 0.017 0.000 0.793 32 G HN 0.597 nan 8.290 nan 0.000 0.532 33 I N 2.531 123.148 120.570 0.079 0.000 2.396 33 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 33 I C 0.597 176.816 176.117 0.170 0.000 0.999 33 I CA -0.329 61.054 61.300 0.138 0.000 1.310 33 I CB 0.660 38.733 38.000 0.121 0.000 1.404 33 I HN 0.090 nan 8.210 nan 0.000 0.496 34 T N 2.439 117.148 114.554 0.259 0.000 2.865 34 T HA 0.534 4.884 4.350 -0.000 0.000 0.294 34 T C -0.557 174.291 174.700 0.246 0.000 1.119 34 T CA -0.727 61.530 62.100 0.261 0.000 1.007 34 T CB 1.791 70.827 68.868 0.281 0.000 1.225 34 T HN 0.209 nan 8.240 nan 0.000 0.515 35 F N 1.660 121.654 119.950 0.074 0.000 2.443 35 F HA 0.568 5.095 4.527 -0.000 0.000 0.353 35 F C 0.441 176.152 175.800 -0.149 0.000 1.101 35 F CA -0.180 57.808 58.000 -0.020 0.000 1.226 35 F CB 0.953 39.953 39.000 -0.001 0.000 1.140 35 F HN 0.678 nan 8.300 nan 0.000 0.557 36 S N 4.919 119.814 115.700 -1.341 0.000 2.566 36 S HA 0.193 4.663 4.470 -0.000 0.000 0.324 36 S C 0.527 174.305 174.600 -1.371 0.000 1.081 36 S CA -0.660 56.696 58.200 -1.406 0.000 1.105 36 S CB 1.262 63.137 63.200 -2.208 0.000 0.981 36 S HN 0.883 nan 8.310 nan 0.000 0.464 37 Q N 3.420 122.738 119.800 -0.803 0.000 2.167 37 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 37 Q C 1.751 177.513 176.000 -0.397 0.000 0.970 37 Q CA 2.125 57.669 55.803 -0.432 0.000 0.855 37 Q CB -0.140 28.561 28.738 -0.062 0.000 0.911 37 Q HN 0.907 nan 8.270 nan 0.000 0.438 38 E N -0.450 119.518 120.200 -0.387 0.000 2.058 38 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 38 E C 1.800 178.227 176.600 -0.289 0.000 0.997 38 E CA 1.369 57.628 56.400 -0.235 0.000 0.801 38 E CB -0.181 29.498 29.700 -0.035 0.000 0.746 38 E HN 0.452 nan 8.360 nan 0.000 0.450 39 L N 0.657 121.602 121.223 -0.463 0.000 2.046 39 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 39 L C 2.872 179.565 176.870 -0.295 0.000 1.077 39 L CA 1.489 56.158 54.840 -0.284 0.000 0.747 39 L CB -0.571 41.290 42.059 -0.329 0.000 0.896 39 L HN 0.170 nan 8.230 nan 0.000 0.432 40 K N 0.348 120.435 120.400 -0.522 0.000 2.026 40 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 40 K C 1.647 178.029 176.600 -0.365 0.000 1.048 40 K CA 1.886 57.772 56.287 -0.668 0.000 0.929 40 K CB -0.023 32.008 32.500 -0.783 0.000 0.713 40 K HN 0.208 nan 8.250 nan 0.000 0.439 41 D N 0.289 120.505 120.400 -0.306 0.000 2.263 41 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 41 D C 1.847 177.966 176.300 -0.303 0.000 0.971 41 D CA 1.409 55.261 54.000 -0.248 0.000 0.867 41 D CB -0.080 40.594 40.800 -0.211 0.000 0.929 41 D HN 0.364 nan 8.370 nan 0.000 0.492 42 S N -0.947 114.536 115.700 -0.362 0.000 2.522 42 S HA 0.157 4.627 4.470 -0.000 0.000 0.227 42 S C 1.744 176.169 174.600 -0.291 0.000 0.986 42 S CA 0.856 58.754 58.200 -0.504 0.000 0.929 42 S CB 0.254 63.140 63.200 -0.525 0.000 0.769 42 S HN 0.307 nan 8.310 nan 0.000 0.529 43 G N 0.542 109.239 108.800 -0.173 0.000 2.159 43 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.227 43 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.227 43 G C 0.002 174.905 174.900 0.005 0.000 0.986 43 G CA 0.087 45.139 45.100 -0.079 0.000 0.651 43 G HN 0.480 nan 8.290 nan 0.000 0.523 44 M N -0.593 119.027 119.600 0.034 0.000 2.163 44 M HA 0.446 4.926 4.480 -0.000 0.000 0.305 44 M C 1.832 178.245 176.300 0.188 0.000 1.166 44 M CA -0.017 55.346 55.300 0.106 0.000 1.132 44 M CB 0.577 33.249 32.600 0.121 0.000 1.413 44 M HN 0.132 nan 8.290 nan 0.000 0.478 45 R N -0.499 120.051 120.500 0.084 0.000 2.206 45 R HA 0.124 4.464 4.340 -0.000 0.000 0.198 45 R C 0.390 176.531 176.300 -0.266 0.000 0.986 45 R CA 0.155 56.225 56.100 -0.049 0.000 1.029 45 R CB 0.359 30.631 30.300 -0.046 0.000 0.966 45 R HN 0.568 nan 8.270 nan 0.000 0.487 46 S N 0.531 116.181 115.700 -0.083 0.000 2.452 46 S HA 0.128 4.598 4.470 -0.000 0.000 0.284 46 S C -0.153 174.470 174.600 0.039 0.000 1.171 46 S CA -0.529 57.616 58.200 -0.091 0.000 1.064 46 S CB 0.279 63.459 63.200 -0.034 0.000 0.967 46 S HN 0.338 nan 8.310 nan 0.000 0.484 47 H N 3.056 122.074 119.070 -0.087 0.000 2.475 47 H HA 0.359 4.915 4.556 -0.000 0.000 0.276 47 H C -0.105 175.025 175.328 -0.330 0.000 1.126 47 H CA -0.658 55.239 56.048 -0.251 0.000 1.023 47 H CB 0.463 30.159 29.762 -0.111 0.000 1.669 47 H HN 0.453 nan 8.280 nan 0.000 0.573 48 V N -1.842 118.024 119.914 -0.080 0.000 2.962 48 V HA 0.652 4.772 4.120 -0.000 0.000 0.313 48 V C -1.441 174.719 176.094 0.111 0.000 1.099 48 V CA -0.967 61.318 62.300 -0.024 0.000 0.971 48 V CB 2.284 34.170 31.823 0.105 0.000 1.028 48 V HN 0.405 nan 8.190 nan 0.000 0.430 49 W N 0.973 122.292 121.300 0.032 0.000 3.153 49 W HA 0.804 5.464 4.660 -0.000 0.000 0.316 49 W C -0.382 176.161 176.519 0.040 0.000 1.255 49 W CA -1.627 55.741 57.345 0.038 0.000 1.192 49 W CB 0.793 30.272 29.460 0.032 0.000 1.400 49 W HN 1.068 nan 8.180 nan 0.000 0.568 50 G N 2.104 111.026 108.800 0.203 0.000 2.696 50 G HA2 0.410 4.370 3.960 -0.000 0.000 0.329 50 G HA3 0.410 4.370 3.960 -0.000 0.000 0.329 50 G C -0.471 174.316 174.900 -0.188 0.000 0.973 50 G CA -0.780 44.343 45.100 0.037 0.000 1.257 50 G HN 0.635 nan 8.290 nan 0.000 0.456 51 N N 0.328 118.841 118.700 -0.312 0.000 2.508 51 N HA 0.440 5.180 4.740 -0.000 0.000 0.285 51 N C -0.409 174.937 175.510 -0.275 0.000 1.144 51 N CA -0.911 51.834 53.050 -0.508 0.000 0.978 51 N CB 2.082 40.168 38.487 -0.669 0.000 1.180 51 N HN 0.020 nan 8.380 nan 0.000 0.484 52 V N 1.235 120.969 119.914 -0.299 0.000 2.455 52 V HA 0.064 4.184 4.120 -0.000 0.000 0.273 52 V C 0.071 176.096 176.094 -0.116 0.000 1.045 52 V CA -0.247 61.910 62.300 -0.239 0.000 0.976 52 V CB 0.410 32.002 31.823 -0.384 0.000 0.993 52 V HN 0.679 nan 8.190 nan 0.000 0.475 53 K N 6.098 126.457 120.400 -0.068 0.000 2.180 53 K HA 0.642 4.962 4.320 -0.000 0.000 0.250 53 K C -0.769 175.830 176.600 -0.001 0.000 1.135 53 K CA 0.296 56.573 56.287 -0.017 0.000 1.037 53 K CB 0.154 32.653 32.500 -0.001 0.000 1.624 53 K HN 0.604 nan 8.250 nan 0.000 0.382 54 L N 0.401 121.633 121.223 0.014 0.000 2.703 54 L HA 0.267 4.607 4.340 -0.000 0.000 0.257 54 L C -1.926 174.975 176.870 0.051 0.000 0.923 54 L CA -0.660 54.200 54.840 0.032 0.000 0.936 54 L CB 1.925 44.004 42.059 0.033 0.000 1.482 54 L HN 0.236 nan 8.230 nan 0.000 0.432 55 D N 2.039 122.465 120.400 0.044 0.000 2.380 55 D HA 0.234 4.874 4.640 -0.000 0.000 0.230 55 D C 1.101 177.424 176.300 0.039 0.000 1.154 55 D CA 0.215 54.239 54.000 0.041 0.000 0.859 55 D CB 1.669 42.487 40.800 0.030 0.000 1.045 55 D HN 0.631 nan 8.370 nan 0.000 0.495 56 T N 0.004 114.584 114.554 0.044 0.000 3.160 56 T HA -0.018 4.332 4.350 -0.000 0.000 0.257 56 T C 0.838 175.535 174.700 -0.005 0.000 1.147 56 T CA -0.100 62.020 62.100 0.032 0.000 1.064 56 T CB -0.493 68.396 68.868 0.034 0.000 0.949 56 T HN 0.268 nan 8.240 nan 0.000 0.526 57 T N 2.520 117.069 114.554 -0.008 0.000 2.866 57 T HA 0.379 4.729 4.350 -0.000 0.000 0.293 57 T C 1.526 176.211 174.700 -0.024 0.000 1.005 57 T CA 0.858 62.943 62.100 -0.024 0.000 1.162 57 T CB -0.098 68.761 68.868 -0.014 0.000 0.968 57 T HN 0.766 nan 8.240 nan 0.000 0.530 58 G N 2.731 111.505 108.800 -0.043 0.000 2.162 58 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 58 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 58 G C 0.778 175.660 174.900 -0.030 0.000 0.976 58 G CA 0.314 45.391 45.100 -0.039 0.000 0.655 58 G HN 0.702 nan 8.290 nan 0.000 0.533 59 L N -0.504 120.703 121.223 -0.028 0.000 2.509 59 L HA 0.409 4.749 4.340 -0.000 0.000 0.222 59 L C 1.162 178.020 176.870 -0.021 0.000 1.123 59 L CA 0.558 55.399 54.840 0.001 0.000 0.856 59 L CB 0.037 42.115 42.059 0.032 0.000 0.985 59 L HN 0.278 nan 8.230 nan 0.000 0.456 60 I N -1.151 119.353 120.570 -0.110 0.000 2.608 60 I HA 0.206 4.376 4.170 -0.000 0.000 0.295 60 I C -0.585 175.417 176.117 -0.191 0.000 1.049 60 I CA -0.997 60.164 61.300 -0.231 0.000 1.063 60 I CB 2.133 39.832 38.000 -0.501 0.000 1.248 60 I HN -0.143 nan 8.210 nan 0.000 0.424 61 D N 5.095 125.394 120.400 -0.167 0.000 2.571 61 D HA -0.045 4.595 4.640 -0.000 0.000 0.231 61 D C 1.354 177.569 176.300 -0.142 0.000 1.133 61 D CA 0.254 54.183 54.000 -0.119 0.000 0.862 61 D CB 0.925 41.671 40.800 -0.090 0.000 1.179 61 D HN 0.583 nan 8.370 nan 0.000 0.474 62 R N 2.938 123.370 120.500 -0.114 0.000 2.103 62 R HA -0.196 4.144 4.340 -0.000 0.000 0.242 62 R C 1.245 177.458 176.300 -0.145 0.000 1.142 62 R CA 1.094 57.115 56.100 -0.131 0.000 0.960 62 R CB -0.229 30.010 30.300 -0.101 0.000 0.858 62 R HN 0.305 nan 8.270 nan 0.000 0.439 63 K N 0.668 121.014 120.400 -0.089 0.000 2.439 63 K HA 0.023 4.343 4.320 -0.000 0.000 0.197 63 K C 1.777 178.402 176.600 0.041 0.000 1.041 63 K CA 0.748 57.014 56.287 -0.035 0.000 0.970 63 K CB 0.324 32.833 32.500 0.015 0.000 0.773 63 K HN 0.078 nan 8.250 nan 0.000 0.479 64 V N -0.249 119.638 119.914 -0.045 0.000 2.521 64 V HA -0.091 4.029 4.120 -0.000 0.000 0.239 64 V C 1.833 177.871 176.094 -0.093 0.000 1.053 64 V CA 0.778 63.050 62.300 -0.046 0.000 1.073 64 V CB 0.325 32.036 31.823 -0.186 0.000 0.746 64 V HN 0.054 nan 8.190 nan 0.000 0.476 65 V N 2.476 122.254 119.914 -0.228 0.000 2.913 65 V HA -0.187 3.933 4.120 -0.000 0.000 0.260 65 V C 2.714 178.632 176.094 -0.293 0.000 1.098 65 V CA 2.037 64.174 62.300 -0.271 0.000 1.121 65 V CB -0.690 30.966 31.823 -0.279 0.000 0.714 65 V HN 0.706 nan 8.190 nan 0.000 0.487 66 R N -1.097 119.176 120.500 -0.378 0.000 2.193 66 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 66 R C 1.732 177.521 176.300 -0.850 0.000 1.110 66 R CA 1.971 57.636 56.100 -0.726 0.000 0.988 66 R CB -0.642 29.023 30.300 -1.059 0.000 0.871 66 R HN 0.507 nan 8.270 nan 0.000 0.458 67 F N 0.899 120.613 119.950 -0.393 0.000 2.749 67 F HA 0.346 4.873 4.527 -0.000 0.000 0.300 67 F C 0.822 176.474 175.800 -0.247 0.000 1.103 67 F CA -0.233 57.633 58.000 -0.223 0.000 1.342 67 F CB 0.197 39.139 39.000 -0.097 0.000 1.098 67 F HN -0.122 nan 8.300 nan 0.000 0.586 68 M N -0.110 119.400 119.600 -0.149 0.000 2.367 68 M HA 0.341 4.821 4.480 -0.000 0.000 0.339 68 M C 0.442 176.551 176.300 -0.319 0.000 1.177 68 M CA -0.635 54.550 55.300 -0.192 0.000 1.068 68 M CB 1.572 34.070 32.600 -0.170 0.000 1.602 68 M HN -0.021 nan 8.290 nan 0.000 0.457 69 S N -0.290 115.255 115.700 -0.258 0.000 2.738 69 S HA 0.342 4.812 4.470 -0.000 0.000 0.284 69 S C 0.307 174.809 174.600 -0.163 0.000 1.146 69 S CA -0.779 57.299 58.200 -0.203 0.000 0.997 69 S CB 1.010 64.165 63.200 -0.074 0.000 1.081 69 S HN 0.670 nan 8.310 nan 0.000 0.553 70 D N 1.007 121.318 120.400 -0.149 0.000 2.144 70 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 70 D C 2.195 178.158 176.300 -0.561 0.000 0.984 70 D CA 1.749 55.476 54.000 -0.455 0.000 0.834 70 D CB -0.899 39.641 40.800 -0.434 0.000 0.955 70 D HN 0.664 nan 8.370 nan 0.000 0.465 71 A N 0.504 123.204 122.820 -0.201 0.000 1.883 71 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 71 A C 2.447 180.017 177.584 -0.023 0.000 1.186 71 A CA 2.117 54.133 52.037 -0.036 0.000 0.624 71 A CB -0.653 18.366 19.000 0.032 0.000 0.822 71 A HN 0.192 nan 8.150 nan 0.000 0.444 72 S N -0.349 115.322 115.700 -0.048 0.000 2.383 72 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 72 S C 1.798 176.418 174.600 0.033 0.000 1.026 72 S CA 1.290 59.497 58.200 0.012 0.000 0.981 72 S CB -0.468 62.728 63.200 -0.006 0.000 0.818 72 S HN 0.533 nan 8.310 nan 0.000 0.472 73 I N 0.469 120.975 120.570 -0.108 0.000 2.142 73 I HA -0.222 3.947 4.170 -0.000 0.000 0.240 73 I C 2.089 178.261 176.117 0.092 0.000 1.078 73 I CA 1.388 62.633 61.300 -0.091 0.000 1.343 73 I CB -0.489 37.360 38.000 -0.251 0.000 1.046 73 I HN 0.256 nan 8.210 nan 0.000 0.405 74 Y N 0.920 121.256 120.300 0.060 0.000 2.165 74 Y HA -0.226 4.324 4.550 0.000 0.000 0.286 74 Y C 2.677 178.617 175.900 0.067 0.000 1.155 74 Y CA 0.863 58.993 58.100 0.050 0.000 1.164 74 Y CB -1.417 37.052 38.460 0.015 0.000 0.978 74 Y HN 0.141 nan 8.280 nan 0.000 0.513 75 A N -0.526 122.431 122.820 0.228 0.000 1.898 75 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 75 A C 2.218 179.890 177.584 0.146 0.000 1.181 75 A CA 1.248 53.368 52.037 0.138 0.000 0.620 75 A CB -1.356 17.705 19.000 0.102 0.000 0.819 75 A HN 0.440 nan 8.150 nan 0.000 0.442 76 F N 0.667 120.664 119.950 0.078 0.000 2.095 76 F HA -0.184 4.344 4.527 0.000 0.000 0.298 76 F C 1.945 177.827 175.800 0.138 0.000 1.104 76 F CA 1.916 60.005 58.000 0.147 0.000 1.232 76 F CB -0.166 38.905 39.000 0.117 0.000 0.987 76 F HN 0.145 nan 8.300 nan 0.000 0.475 77 L N -0.779 120.682 121.223 0.397 0.000 2.083 77 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 77 L C 2.485 179.410 176.870 0.091 0.000 1.083 77 L CA 1.313 56.308 54.840 0.260 0.000 0.752 77 L CB -0.897 41.303 42.059 0.235 0.000 0.899 77 L HN 0.079 nan 8.230 nan 0.000 0.433 78 S N -0.349 115.386 115.700 0.059 0.000 2.383 78 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 78 S C 1.932 176.467 174.600 -0.109 0.000 1.026 78 S CA 1.510 59.700 58.200 -0.017 0.000 0.981 78 S CB -0.208 62.982 63.200 -0.016 0.000 0.818 78 S HN 0.361 nan 8.310 nan 0.000 0.472 79 M N 1.369 120.844 119.600 -0.208 0.000 2.175 79 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 79 M C 1.938 177.943 176.300 -0.493 0.000 1.063 79 M CA 1.370 56.391 55.300 -0.465 0.000 1.119 79 M CB -0.118 31.984 32.600 -0.830 0.000 1.377 79 M HN 0.235 nan 8.290 nan 0.000 0.415 80 E N -0.136 119.884 120.200 -0.299 0.000 2.085 80 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 80 E C 2.037 178.579 176.600 -0.097 0.000 0.994 80 E CA 1.669 57.986 56.400 -0.139 0.000 0.801 80 E CB -0.152 29.562 29.700 0.024 0.000 0.743 80 E HN 0.671 nan 8.360 nan 0.000 0.453 81 Q N 0.095 119.857 119.800 -0.063 0.000 2.050 81 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 81 Q C 2.240 178.218 176.000 -0.036 0.000 0.980 81 Q CA 1.418 57.205 55.803 -0.027 0.000 0.840 81 Q CB -0.195 28.537 28.738 -0.010 0.000 0.898 81 Q HN 0.233 nan 8.270 nan 0.000 0.424 82 A N 0.833 123.607 122.820 -0.077 0.000 1.902 82 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 82 A C 2.042 179.610 177.584 -0.025 0.000 1.181 82 A CA 1.207 53.219 52.037 -0.042 0.000 0.623 82 A CB -0.662 18.307 19.000 -0.053 0.000 0.818 82 A HN 0.316 nan 8.150 nan 0.000 0.443 83 I N -0.355 120.138 120.570 -0.129 0.000 2.179 83 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 83 I C 2.988 179.092 176.117 -0.021 0.000 1.088 83 I CA 1.133 62.353 61.300 -0.133 0.000 1.357 83 I CB -0.319 37.466 38.000 -0.360 0.000 1.051 83 I HN 0.370 nan 8.210 nan 0.000 0.409 84 A N 0.197 123.010 122.820 -0.011 0.000 1.902 84 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 84 A C 2.005 179.616 177.584 0.045 0.000 1.181 84 A CA 2.256 54.310 52.037 0.029 0.000 0.623 84 A CB -0.713 18.304 19.000 0.029 0.000 0.818 84 A HN 0.439 nan 8.150 nan 0.000 0.443 85 D N -0.171 120.261 120.400 0.055 0.000 2.178 85 D HA -0.007 4.633 4.640 -0.000 0.000 0.201 85 D C 1.775 178.143 176.300 0.114 0.000 0.980 85 D CA 1.417 55.475 54.000 0.097 0.000 0.842 85 D CB -0.155 40.728 40.800 0.138 0.000 0.948 85 D HN 0.338 nan 8.370 nan 0.000 0.472 86 A N -0.772 122.106 122.820 0.096 0.000 2.208 86 A HA 0.414 4.733 4.320 -0.000 0.000 0.209 86 A C 1.740 179.368 177.584 0.074 0.000 1.161 86 A CA 0.897 52.988 52.037 0.090 0.000 0.782 86 A CB -0.553 18.487 19.000 0.066 0.000 0.816 86 A HN 0.420 nan 8.150 nan 0.000 0.477 87 G N -0.585 108.256 108.800 0.069 0.000 2.273 87 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.280 87 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.280 87 G C -0.087 174.867 174.900 0.090 0.000 1.047 87 G CA 0.393 45.532 45.100 0.067 0.000 0.869 87 G HN 0.469 nan 8.290 nan 0.000 0.502 88 L N 1.689 122.983 121.223 0.118 0.000 2.260 88 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 88 L C 1.260 178.296 176.870 0.276 0.000 1.057 88 L CA -0.230 54.730 54.840 0.201 0.000 0.811 88 L CB 1.352 43.550 42.059 0.232 0.000 1.184 88 L HN 0.441 nan 8.230 nan 0.000 0.429 89 S N 2.890 118.721 115.700 0.218 0.000 2.632 89 S HA 0.354 4.824 4.470 -0.000 0.000 0.267 89 S C -1.903 172.784 174.600 0.144 0.000 1.276 89 S CA -1.157 57.143 58.200 0.167 0.000 0.998 89 S CB 1.267 64.515 63.200 0.079 0.000 0.953 89 S HN 0.351 nan 8.310 nan 0.000 0.547 90 P HA -0.110 nan 4.420 nan 0.000 0.215 90 P C 1.348 178.445 177.300 -0.339 0.000 1.157 90 P CA 1.318 64.240 63.100 -0.297 0.000 0.874 90 P CB 0.016 31.629 31.700 -0.145 0.000 0.790 91 E N -0.491 119.623 120.200 -0.144 0.000 2.265 91 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 91 E C 1.795 178.352 176.600 -0.071 0.000 0.996 91 E CA 1.172 57.508 56.400 -0.106 0.000 0.832 91 E CB -0.863 28.807 29.700 -0.050 0.000 0.756 91 E HN 0.102 nan 8.360 nan 0.000 0.491 92 A N -0.590 122.218 122.820 -0.020 0.000 1.975 92 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 92 A C 1.708 179.375 177.584 0.138 0.000 1.170 92 A CA 1.211 53.296 52.037 0.080 0.000 0.656 92 A CB -0.411 18.678 19.000 0.149 0.000 0.821 92 A HN 0.550 nan 8.150 nan 0.000 0.449 93 Y N -1.693 118.654 120.300 0.078 0.000 2.423 93 Y HA 0.429 4.979 4.550 -0.000 0.000 0.257 93 Y C 0.573 176.511 175.900 0.064 0.000 1.087 93 Y CA -0.691 57.472 58.100 0.106 0.000 1.258 93 Y CB -0.173 38.424 38.460 0.229 0.000 1.237 93 Y HN 0.176 nan 8.280 nan 0.000 0.517 94 Q N 2.034 121.474 119.800 -0.601 0.000 2.306 94 Q HA 0.183 4.523 4.340 -0.000 0.000 0.241 94 Q C -0.228 175.577 176.000 -0.325 0.000 0.948 94 Q CA -0.379 55.162 55.803 -0.436 0.000 0.886 94 Q CB 0.391 28.816 28.738 -0.521 0.000 1.227 94 Q HN 0.340 nan 8.270 nan 0.000 0.457 95 N N 1.792 120.195 118.700 -0.495 0.000 2.716 95 N HA -0.201 4.539 4.740 -0.000 0.000 0.250 95 N C -1.127 174.142 175.510 -0.402 0.000 1.033 95 N CA 0.779 53.291 53.050 -0.897 0.000 0.727 95 N CB -1.083 37.114 38.487 -0.484 0.000 0.950 95 N HN 0.573 nan 8.380 nan 0.000 0.541 96 N N 0.056 118.639 118.700 -0.196 0.000 2.483 96 N HA 0.312 5.052 4.740 -0.000 0.000 0.267 96 N C -1.960 173.602 175.510 0.087 0.000 0.998 96 N CA -1.860 51.186 53.050 -0.007 0.000 0.918 96 N CB 1.628 40.123 38.487 0.012 0.000 1.215 96 N HN -0.184 nan 8.380 nan 0.000 0.500 97 P HA -0.036 nan 4.420 nan 0.000 0.220 97 P C 0.471 177.807 177.300 0.060 0.000 1.144 97 P CA 1.148 64.316 63.100 0.113 0.000 0.800 97 P CB 0.322 32.075 31.700 0.087 0.000 0.772 98 R N -1.147 119.373 120.500 0.033 0.000 2.388 98 R HA 0.190 4.530 4.340 -0.000 0.000 0.247 98 R C -0.340 175.932 176.300 -0.046 0.000 0.931 98 R CA 0.033 56.126 56.100 -0.012 0.000 1.082 98 R CB 0.366 30.650 30.300 -0.028 0.000 1.135 98 R HN 0.072 nan 8.270 nan 0.000 0.525 99 V N 0.475 120.392 119.914 0.005 0.000 2.444 99 V HA 0.550 4.670 4.120 -0.000 0.000 0.294 99 V C 0.399 176.529 176.094 0.060 0.000 1.022 99 V CA -0.728 61.579 62.300 0.011 0.000 0.850 99 V CB 1.572 33.465 31.823 0.117 0.000 0.992 99 V HN 0.307 nan 8.190 nan 0.000 0.426 100 G N 3.296 112.098 108.800 0.003 0.000 3.140 100 G HA2 0.849 4.809 3.960 -0.000 0.000 0.271 100 G HA3 0.849 4.809 3.960 -0.000 0.000 0.271 100 G C -1.653 173.279 174.900 0.054 0.000 1.370 100 G CA -0.780 44.329 45.100 0.015 0.000 1.014 100 G HN 0.711 nan 8.290 nan 0.000 0.541 101 L N -0.304 120.905 121.223 -0.024 0.000 2.505 101 L HA 0.676 5.016 4.340 -0.000 0.000 0.266 101 L C -1.599 175.175 176.870 -0.159 0.000 0.954 101 L CA -0.695 54.137 54.840 -0.013 0.000 0.852 101 L CB 1.702 43.784 42.059 0.038 0.000 1.282 101 L HN 0.432 nan 8.230 nan 0.000 0.403 102 I N 5.316 125.798 120.570 -0.147 0.000 2.448 102 I HA 0.779 4.949 4.170 -0.000 0.000 0.281 102 I C -0.460 175.621 176.117 -0.060 0.000 1.027 102 I CA -0.348 60.845 61.300 -0.178 0.000 1.111 102 I CB 1.740 39.619 38.000 -0.202 0.000 1.236 102 I HN 0.696 nan 8.210 nan 0.000 0.452 103 A N 4.296 127.105 122.820 -0.017 0.000 2.566 103 A HA 0.948 5.268 4.320 -0.000 0.000 0.297 103 A C -0.703 176.906 177.584 0.043 0.000 1.059 103 A CA -0.381 51.662 52.037 0.010 0.000 0.691 103 A CB 1.858 20.857 19.000 -0.002 0.000 1.282 103 A HN 0.770 nan 8.150 nan 0.000 0.401 104 G N -0.281 108.548 108.800 0.049 0.000 2.870 104 G HA2 0.859 4.819 3.960 -0.000 0.000 0.299 104 G HA3 0.859 4.819 3.960 -0.000 0.000 0.299 104 G C -0.499 174.434 174.900 0.055 0.000 1.324 104 G CA 0.216 45.353 45.100 0.063 0.000 0.808 104 G HN 1.948 nan 8.290 nan 0.000 0.535 105 S N -2.137 113.598 115.700 0.059 0.000 2.661 105 S HA 0.682 5.152 4.470 -0.000 0.000 0.285 105 S C 1.001 175.634 174.600 0.056 0.000 1.138 105 S CA 0.282 58.515 58.200 0.055 0.000 0.855 105 S CB 1.464 64.700 63.200 0.059 0.000 1.136 105 S HN 1.495 nan 8.310 nan 0.000 0.484 106 G N -0.125 108.704 108.800 0.048 0.000 2.396 106 G HA2 0.351 4.311 3.960 -0.000 0.000 0.214 106 G HA3 0.351 4.311 3.960 -0.000 0.000 0.214 106 G C 0.812 175.753 174.900 0.069 0.000 1.166 106 G CA 0.362 45.492 45.100 0.051 0.000 0.793 106 G HN 1.340 nan 8.290 nan 0.000 0.533 107 G N -1.086 107.759 108.800 0.074 0.000 4.238 107 G HA2 0.493 4.453 3.960 -0.000 0.000 0.292 107 G HA3 0.493 4.453 3.960 -0.000 0.000 0.292 107 G C 0.994 175.934 174.900 0.067 0.000 1.036 107 G CA 0.740 45.884 45.100 0.074 0.000 0.812 107 G HN 1.029 nan 8.290 nan 0.000 0.489 108 G N 0.678 109.517 108.800 0.065 0.000 2.686 108 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.329 108 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.329 108 G C 0.537 175.480 174.900 0.072 0.000 1.187 108 G CA 0.970 46.108 45.100 0.064 0.000 0.965 108 G HN 1.625 nan 8.290 nan 0.000 0.549 109 S N 1.239 116.991 115.700 0.087 0.000 2.381 109 S HA 0.633 5.103 4.470 -0.000 0.000 0.193 109 S C -1.483 173.178 174.600 0.102 0.000 1.287 109 S CA 0.093 58.364 58.200 0.118 0.000 1.199 109 S CB 1.812 65.134 63.200 0.203 0.000 1.214 109 S HN 0.240 nan 8.310 nan 0.000 0.444 110 P HA -0.084 nan 4.420 nan 0.000 0.216 110 P C 1.534 178.799 177.300 -0.058 0.000 1.150 110 P CA 0.646 63.738 63.100 -0.013 0.000 0.837 110 P CB 0.128 31.797 31.700 -0.052 0.000 0.786 111 R N -0.806 119.641 120.500 -0.089 0.000 2.083 111 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 111 R C 1.826 178.014 176.300 -0.186 0.000 1.137 111 R CA 1.738 57.715 56.100 -0.205 0.000 0.951 111 R CB -0.940 29.197 30.300 -0.272 0.000 0.851 111 R HN 0.105 nan 8.270 nan 0.000 0.434 112 F N 0.706 120.670 119.950 0.024 0.000 2.558 112 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 112 F C 2.412 178.307 175.800 0.157 0.000 1.119 112 F CA 0.825 58.889 58.000 0.106 0.000 1.451 112 F CB 0.059 39.082 39.000 0.040 0.000 1.091 112 F HN 0.133 nan 8.300 nan 0.000 0.563 113 Q N -0.332 119.593 119.800 0.209 0.000 2.083 113 Q HA -0.123 4.217 4.340 -0.000 0.000 0.198 113 Q C 2.380 178.435 176.000 0.093 0.000 0.969 113 Q CA 1.490 57.376 55.803 0.138 0.000 0.838 113 Q CB -0.293 28.493 28.738 0.080 0.000 0.900 113 Q HN 0.256 nan 8.270 nan 0.000 0.436 114 V N 0.711 120.654 119.914 0.047 0.000 2.427 114 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 114 V C 1.886 178.005 176.094 0.043 0.000 1.051 114 V CA 1.547 63.856 62.300 0.014 0.000 1.048 114 V CB -0.600 31.190 31.823 -0.055 0.000 0.666 114 V HN 0.326 nan 8.190 nan 0.000 0.456 115 F N 2.250 122.165 119.950 -0.059 0.000 2.075 115 F HA -0.063 4.464 4.527 0.000 0.000 0.297 115 F C 2.212 178.025 175.800 0.022 0.000 1.113 115 F CA 1.852 59.823 58.000 -0.047 0.000 1.218 115 F CB -0.974 37.950 39.000 -0.127 0.000 0.984 115 F HN 0.134 nan 8.300 nan 0.000 0.472 116 G N -0.148 108.641 108.800 -0.018 0.000 2.446 116 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 116 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 116 G C 1.813 176.617 174.900 -0.158 0.000 1.168 116 G CA 1.046 46.079 45.100 -0.112 0.000 0.771 116 G HN 0.666 nan 8.290 nan 0.000 0.551 117 A N 0.760 123.534 122.820 -0.076 0.000 1.933 117 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 117 A C 2.108 179.637 177.584 -0.093 0.000 1.175 117 A CA 2.123 54.123 52.037 -0.061 0.000 0.628 117 A CB -0.362 18.627 19.000 -0.019 0.000 0.814 117 A HN 0.286 nan 8.150 nan 0.000 0.444 118 D N 0.048 120.373 120.400 -0.124 0.000 2.097 118 D HA -0.013 4.627 4.640 -0.000 0.000 0.197 118 D C 2.271 178.464 176.300 -0.178 0.000 0.984 118 D CA 1.574 55.504 54.000 -0.117 0.000 0.826 118 D CB -0.433 40.316 40.800 -0.086 0.000 0.973 118 D HN 0.395 nan 8.370 nan 0.000 0.460 119 A N 0.562 123.177 122.820 -0.341 0.000 1.898 119 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 119 A C 2.125 179.599 177.584 -0.183 0.000 1.181 119 A CA 1.630 53.470 52.037 -0.329 0.000 0.620 119 A CB -0.550 18.095 19.000 -0.591 0.000 0.819 119 A HN 0.161 nan 8.150 nan 0.000 0.442 120 M N 0.050 119.553 119.600 -0.162 0.000 2.202 120 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 120 M C 1.762 178.023 176.300 -0.065 0.000 1.063 120 M CA 1.510 56.755 55.300 -0.091 0.000 1.097 120 M CB -0.448 32.110 32.600 -0.069 0.000 1.382 120 M HN 0.368 nan 8.290 nan 0.000 0.413 121 R N -0.235 120.226 120.500 -0.066 0.000 2.310 121 R HA 0.221 4.561 4.340 -0.000 0.000 0.202 121 R C 1.071 177.348 176.300 -0.038 0.000 0.933 121 R CA 0.266 56.340 56.100 -0.042 0.000 1.054 121 R CB -0.324 29.956 30.300 -0.034 0.000 0.985 121 R HN 0.460 nan 8.270 nan 0.000 0.489 122 G N 1.230 109.999 108.800 -0.051 0.000 2.543 122 G HA2 0.132 4.092 3.960 -0.000 0.000 0.290 122 G HA3 0.132 4.092 3.960 -0.000 0.000 0.290 122 G C -1.454 173.429 174.900 -0.028 0.000 1.310 122 G CA -0.923 44.154 45.100 -0.038 0.000 1.025 122 G HN -0.064 nan 8.290 nan 0.000 0.502 123 P HA 0.003 nan 4.420 nan 0.000 0.233 123 P C 1.151 178.443 177.300 -0.013 0.000 1.167 123 P CA 0.511 63.603 63.100 -0.013 0.000 0.770 123 P CB 0.411 32.107 31.700 -0.007 0.000 0.837 124 R N -0.662 119.828 120.500 -0.017 0.000 2.223 124 R HA 0.177 4.517 4.340 -0.000 0.000 0.198 124 R C 1.716 178.004 176.300 -0.021 0.000 0.984 124 R CA 0.862 56.954 56.100 -0.014 0.000 1.018 124 R CB -0.783 29.512 30.300 -0.009 0.000 0.945 124 R HN 0.227 nan 8.270 nan 0.000 0.479 125 G N 1.813 110.594 108.800 -0.032 0.000 2.596 125 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.295 125 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.295 125 G C 0.972 175.849 174.900 -0.037 0.000 1.240 125 G CA 0.416 45.495 45.100 -0.036 0.000 0.985 125 G HN 0.244 nan 8.290 nan 0.000 0.555 126 L N 0.427 121.633 121.223 -0.027 0.000 2.089 126 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 126 L C 3.022 179.883 176.870 -0.015 0.000 1.079 126 L CA 2.442 57.269 54.840 -0.022 0.000 0.758 126 L CB -0.516 41.532 42.059 -0.017 0.000 0.891 126 L HN 0.587 nan 8.230 nan 0.000 0.433 127 K N -0.209 120.184 120.400 -0.011 0.000 2.147 127 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 127 K C 2.169 178.780 176.600 0.017 0.000 1.049 127 K CA 1.290 57.577 56.287 0.001 0.000 0.936 127 K CB -0.210 32.291 32.500 0.002 0.000 0.722 127 K HN 0.328 nan 8.250 nan 0.000 0.446 128 A N 0.872 123.693 122.820 0.001 0.000 1.970 128 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 128 A C 2.308 179.909 177.584 0.028 0.000 1.170 128 A CA 0.773 52.817 52.037 0.010 0.000 0.645 128 A CB -0.311 18.658 19.000 -0.051 0.000 0.816 128 A HN 0.036 nan 8.150 nan 0.000 0.447 129 V N -0.380 119.524 119.914 -0.017 0.000 2.261 129 V HA 0.173 4.293 4.120 -0.000 0.000 0.246 129 V C 1.636 177.845 176.094 0.193 0.000 1.047 129 V CA 1.283 63.602 62.300 0.032 0.000 1.015 129 V CB -1.903 29.918 31.823 -0.003 0.000 0.642 129 V HN 1.253 nan 8.190 nan 0.000 0.446 130 G N 0.459 109.312 108.800 0.088 0.000 2.781 130 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.683 130 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.683 130 G C -1.855 173.004 174.900 -0.067 0.000 1.390 130 G CA -0.097 45.026 45.100 0.037 0.000 0.850 130 G HN 0.340 nan 8.290 nan 0.000 0.557 131 P HA 0.278 nan 4.420 nan 0.000 0.254 131 P C -0.018 176.978 177.300 -0.508 0.000 1.494 131 P CA 0.453 63.315 63.100 -0.397 0.000 0.961 131 P CB -0.049 31.363 31.700 -0.479 0.000 1.493 132 Y N -1.703 118.564 120.300 -0.056 0.000 2.500 132 Y HA 0.108 4.658 4.550 -0.000 0.000 0.246 132 Y C 2.222 178.075 175.900 -0.078 0.000 1.146 132 Y CA -0.133 57.889 58.100 -0.130 0.000 1.230 132 Y CB -0.256 38.022 38.460 -0.304 0.000 1.214 132 Y HN -0.274 nan 8.280 nan 0.000 0.526 133 V N -1.086 118.903 119.914 0.126 0.000 2.427 133 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 133 V C 2.090 178.244 176.094 0.099 0.000 1.051 133 V CA 1.625 64.012 62.300 0.145 0.000 1.048 133 V CB -0.767 31.211 31.823 0.259 0.000 0.666 133 V HN 0.218 nan 8.190 nan 0.000 0.456 134 V N 1.223 121.192 119.914 0.092 0.000 2.261 134 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 134 V C 2.832 178.972 176.094 0.077 0.000 1.047 134 V CA 2.661 65.010 62.300 0.081 0.000 1.015 134 V CB -1.322 30.544 31.823 0.073 0.000 0.642 134 V HN 0.815 nan 8.190 nan 0.000 0.446 135 T N -1.945 112.674 114.554 0.107 0.000 2.962 135 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 135 T C 1.699 176.416 174.700 0.028 0.000 1.088 135 T CA 1.299 63.459 62.100 0.100 0.000 1.127 135 T CB -0.240 68.757 68.868 0.215 0.000 0.883 135 T HN 0.497 nan 8.240 nan 0.000 0.493 136 K N 1.029 121.402 120.400 -0.045 0.000 2.098 136 K HA 0.365 4.685 4.320 -0.000 0.000 0.203 136 K C 2.706 179.285 176.600 -0.035 0.000 1.051 136 K CA 0.893 57.076 56.287 -0.173 0.000 0.957 136 K CB -0.160 31.986 32.500 -0.590 0.000 0.738 136 K HN 0.393 nan 8.250 nan 0.000 0.447 137 A N 2.084 124.929 122.820 0.043 0.000 2.021 137 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 137 A C 1.293 178.920 177.584 0.072 0.000 1.163 137 A CA 0.040 52.136 52.037 0.098 0.000 0.676 137 A CB -0.493 18.590 19.000 0.138 0.000 0.818 137 A HN 0.331 nan 8.150 nan 0.000 0.453 138 M N -1.679 117.957 119.600 0.059 0.000 2.252 138 M HA 0.436 4.916 4.480 -0.000 0.000 0.321 138 M C 0.987 177.319 176.300 0.052 0.000 1.070 138 M CA 0.451 55.783 55.300 0.054 0.000 1.143 138 M CB 0.376 33.006 32.600 0.050 0.000 1.498 138 M HN 0.061 nan 8.290 nan 0.000 0.445 139 A N 1.916 124.768 122.820 0.052 0.000 2.019 139 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 139 A C 2.072 179.691 177.584 0.059 0.000 1.164 139 A CA 1.923 53.993 52.037 0.055 0.000 0.644 139 A CB -0.950 18.081 19.000 0.052 0.000 0.805 139 A HN 1.014 nan 8.150 nan 0.000 0.449 140 S N -0.877 114.858 115.700 0.059 0.000 2.634 140 S HA 0.282 4.752 4.470 -0.000 0.000 0.221 140 S C 1.681 176.315 174.600 0.058 0.000 0.952 140 S CA 0.612 58.852 58.200 0.067 0.000 0.930 140 S CB -0.394 62.849 63.200 0.073 0.000 0.780 140 S HN 0.597 nan 8.310 nan 0.000 0.498 141 G N 2.331 111.160 108.800 0.049 0.000 2.513 141 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 141 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 141 G C 1.316 176.241 174.900 0.043 0.000 1.160 141 G CA 1.347 46.469 45.100 0.038 0.000 0.767 141 G HN 0.492 nan 8.290 nan 0.000 0.571 142 V N 1.718 121.662 119.914 0.050 0.000 2.332 142 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 142 V C 3.251 179.384 176.094 0.065 0.000 1.055 142 V CA 2.520 64.855 62.300 0.059 0.000 1.038 142 V CB -0.522 31.335 31.823 0.057 0.000 0.651 142 V HN 0.649 nan 8.190 nan 0.000 0.450 143 S N 0.730 116.466 115.700 0.059 0.000 2.377 143 S HA -0.014 4.456 4.470 -0.000 0.000 0.223 143 S C 2.152 176.787 174.600 0.058 0.000 1.030 143 S CA 0.994 59.226 58.200 0.052 0.000 0.970 143 S CB -0.486 62.745 63.200 0.053 0.000 0.830 143 S HN 0.535 nan 8.310 nan 0.000 0.473 144 A N 1.018 123.870 122.820 0.053 0.000 1.908 144 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 144 A C 2.359 179.960 177.584 0.028 0.000 1.181 144 A CA 1.629 53.686 52.037 0.034 0.000 0.627 144 A CB -1.525 17.487 19.000 0.021 0.000 0.818 144 A HN 0.697 nan 8.150 nan 0.000 0.445 145 C N -1.227 118.101 119.300 0.046 0.000 2.491 145 C HA 0.175 4.635 4.460 -0.000 0.000 0.277 145 C C 2.215 177.306 174.990 0.167 0.000 1.455 145 C CA 0.642 59.697 59.018 0.061 0.000 1.758 145 C CB -1.306 26.466 27.740 0.054 0.000 1.745 145 C HN 0.528 nan 8.230 nan 0.000 0.558 146 L N 0.267 121.603 121.223 0.190 0.000 2.445 146 L HA 0.279 4.619 4.340 -0.000 0.000 0.207 146 L C 2.623 179.660 176.870 0.279 0.000 1.053 146 L CA 1.521 56.550 54.840 0.314 0.000 0.841 146 L CB -1.223 40.957 42.059 0.202 0.000 1.074 146 L HN 0.140 nan 8.230 nan 0.000 0.479 147 A N -0.674 122.235 122.820 0.148 0.000 1.908 147 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 147 A C 2.300 179.961 177.584 0.127 0.000 1.181 147 A CA 2.586 54.700 52.037 0.128 0.000 0.627 147 A CB -1.062 17.985 19.000 0.080 0.000 0.818 147 A HN 0.417 nan 8.150 nan 0.000 0.445 148 T N 0.429 115.028 114.554 0.075 0.000 2.643 148 T HA -0.081 4.269 4.350 -0.000 0.000 0.264 148 T C -0.010 174.702 174.700 0.019 0.000 1.045 148 T CA 1.720 63.835 62.100 0.025 0.000 1.155 148 T CB -1.154 67.681 68.868 -0.056 0.000 0.863 148 T HN 0.529 nan 8.240 nan 0.000 0.420 149 P HA -0.011 nan 4.420 nan 0.000 0.219 149 P C 0.865 178.063 177.300 -0.170 0.000 1.150 149 P CA 1.092 64.138 63.100 -0.090 0.000 0.814 149 P CB -0.285 31.377 31.700 -0.064 0.000 0.787 150 F N -0.294 119.674 119.950 0.030 0.000 2.804 150 F HA 0.163 4.690 4.527 0.000 0.000 0.303 150 F C 0.738 176.574 175.800 0.060 0.000 1.154 150 F CA 0.003 58.021 58.000 0.030 0.000 1.401 150 F CB -0.480 38.463 39.000 -0.096 0.000 1.106 150 F HN -0.229 nan 8.300 nan 0.000 0.568 151 K N 0.498 120.980 120.400 0.136 0.000 3.096 151 K HA -0.179 4.141 4.320 -0.000 0.000 0.266 151 K C -0.604 176.045 176.600 0.082 0.000 1.043 151 K CA 0.211 56.536 56.287 0.062 0.000 0.758 151 K CB -1.817 30.644 32.500 -0.065 0.000 1.260 151 K HN 0.113 nan 8.250 nan 0.000 0.481 152 I N 0.822 121.505 120.570 0.187 0.000 2.471 152 I HA 0.004 4.173 4.170 -0.000 0.000 0.286 152 I C 1.711 178.005 176.117 0.295 0.000 1.079 152 I CA 0.474 61.898 61.300 0.207 0.000 1.398 152 I CB 0.667 38.776 38.000 0.182 0.000 1.403 152 I HN 0.337 nan 8.210 nan 0.000 0.530 153 H N 3.309 122.421 119.070 0.071 0.000 2.874 153 H HA 0.173 4.729 4.556 -0.000 0.000 0.264 153 H C 1.384 176.733 175.328 0.034 0.000 1.007 153 H CA 0.018 56.091 56.048 0.043 0.000 1.207 153 H CB 1.394 31.176 29.762 0.033 0.000 1.487 153 H HN 0.770 nan 8.280 nan 0.000 0.505 154 G N 0.769 109.660 108.800 0.152 0.000 2.735 154 G HA2 0.128 4.088 3.960 -0.000 0.000 0.192 154 G HA3 0.128 4.088 3.960 -0.000 0.000 0.192 154 G C -0.107 174.815 174.900 0.036 0.000 1.547 154 G CA -0.375 44.769 45.100 0.073 0.000 1.080 154 G HN 0.053 nan 8.290 nan 0.000 0.569 155 V N 1.169 121.075 119.914 -0.013 0.000 2.872 155 V HA 0.331 4.451 4.120 -0.000 0.000 0.307 155 V C -0.270 175.738 176.094 -0.143 0.000 1.072 155 V CA 0.250 62.505 62.300 -0.074 0.000 1.148 155 V CB 1.227 32.956 31.823 -0.156 0.000 0.954 155 V HN 0.789 nan 8.190 nan 0.000 0.490 156 N N 5.030 123.639 118.700 -0.151 0.000 2.699 156 N HA 0.429 5.169 4.740 -0.000 0.000 0.271 156 N C -1.276 174.238 175.510 0.007 0.000 1.216 156 N CA -0.480 52.506 53.050 -0.107 0.000 0.844 156 N CB 0.969 39.465 38.487 0.015 0.000 1.462 156 N HN 0.658 nan 8.380 nan 0.000 0.555 157 Y N -1.181 119.139 120.300 0.033 0.000 2.814 157 Y HA 0.659 5.209 4.550 -0.000 0.000 0.348 157 Y C -1.307 174.610 175.900 0.028 0.000 1.245 157 Y CA -1.195 56.921 58.100 0.027 0.000 1.086 157 Y CB 0.377 38.850 38.460 0.021 0.000 1.373 157 Y HN 0.103 nan 8.280 nan 0.000 0.451 158 S N 1.310 117.203 115.700 0.321 0.000 2.537 158 S HA 0.712 5.182 4.470 -0.000 0.000 0.301 158 S C -0.919 173.818 174.600 0.229 0.000 1.092 158 S CA -0.754 57.572 58.200 0.209 0.000 1.048 158 S CB 1.242 64.518 63.200 0.126 0.000 1.053 158 S HN 0.514 nan 8.310 nan 0.000 0.501 159 I N 2.105 122.785 120.570 0.183 0.000 2.404 159 I HA 0.380 4.550 4.170 -0.000 0.000 0.293 159 I C -0.332 175.855 176.117 0.117 0.000 0.992 159 I CA -0.278 61.111 61.300 0.147 0.000 1.149 159 I CB 1.879 39.980 38.000 0.169 0.000 1.315 159 I HN 0.461 nan 8.210 nan 0.000 0.446 160 S N 3.346 119.101 115.700 0.091 0.000 2.502 160 S HA 0.530 5.000 4.470 -0.000 0.000 0.304 160 S C -0.163 174.497 174.600 0.100 0.000 1.097 160 S CA -0.616 57.639 58.200 0.090 0.000 1.045 160 S CB 1.613 64.856 63.200 0.072 0.000 1.019 160 S HN 0.728 nan 8.310 nan 0.000 0.481 161 S N 0.807 116.585 115.700 0.131 0.000 2.584 161 S HA 0.620 5.090 4.470 -0.000 0.000 0.189 161 S C 0.396 175.080 174.600 0.141 0.000 0.869 161 S CA -0.113 58.185 58.200 0.164 0.000 1.097 161 S CB -0.410 62.972 63.200 0.303 0.000 1.677 161 S HN 1.614 nan 8.310 nan 0.000 0.460 162 A N 0.654 123.528 122.820 0.091 0.000 5.391 162 A HA -0.327 3.993 4.320 -0.000 0.000 0.315 162 A C 1.566 179.142 177.584 -0.013 0.000 1.874 162 A CA 1.182 53.236 52.037 0.029 0.000 0.714 162 A CB -2.085 16.928 19.000 0.021 0.000 1.335 162 A HN 1.509 nan 8.150 nan 0.000 0.382 163 C N 0.388 119.646 119.300 -0.070 0.000 2.525 163 C HA 0.437 4.897 4.460 -0.000 0.000 0.279 163 C C 2.452 177.436 174.990 -0.009 0.000 1.437 163 C CA 0.905 59.891 59.018 -0.054 0.000 1.704 163 C CB -1.872 25.836 27.740 -0.053 0.000 1.672 163 C HN 1.274 nan 8.230 nan 0.000 0.582 164 A N -0.456 122.375 122.820 0.019 0.000 2.382 164 A HA 0.144 4.464 4.320 -0.000 0.000 0.228 164 A C 1.877 179.455 177.584 -0.010 0.000 1.217 164 A CA 0.666 52.675 52.037 -0.046 0.000 0.923 164 A CB -0.516 18.468 19.000 -0.027 0.000 0.979 164 A HN 0.403 nan 8.150 nan 0.000 0.515 165 T N 1.611 116.211 114.554 0.077 0.000 2.527 165 T HA -0.289 4.061 4.350 -0.000 0.000 0.258 165 T C 2.259 177.000 174.700 0.067 0.000 1.175 165 T CA 2.850 65.013 62.100 0.106 0.000 1.168 165 T CB -0.582 68.327 68.868 0.068 0.000 0.860 165 T HN 0.827 nan 8.240 nan 0.000 0.429 166 S N 1.531 117.234 115.700 0.005 0.000 2.474 166 S HA 0.170 4.640 4.470 -0.000 0.000 0.235 166 S C 2.257 176.823 174.600 -0.057 0.000 0.997 166 S CA 0.827 59.013 58.200 -0.022 0.000 0.949 166 S CB -0.435 62.737 63.200 -0.047 0.000 0.766 166 S HN 0.576 nan 8.310 nan 0.000 0.517 167 A N 1.726 124.492 122.820 -0.089 0.000 1.897 167 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 167 A C 1.931 179.457 177.584 -0.096 0.000 1.181 167 A CA 1.324 53.280 52.037 -0.136 0.000 0.620 167 A CB -1.032 17.843 19.000 -0.208 0.000 0.821 167 A HN 0.688 nan 8.150 nan 0.000 0.443 168 H N -1.667 117.433 119.070 0.050 0.000 2.423 168 H HA -0.112 4.444 4.556 -0.000 0.000 0.297 168 H C 2.175 177.494 175.328 -0.014 0.000 1.075 168 H CA 1.199 57.304 56.048 0.095 0.000 1.342 168 H CB -0.144 29.701 29.762 0.138 0.000 1.395 168 H HN 0.535 nan 8.280 nan 0.000 0.530 169 C N 0.255 119.609 119.300 0.090 0.000 2.432 169 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 169 C C 2.680 177.624 174.990 -0.078 0.000 1.249 169 C CA 0.826 59.858 59.018 0.024 0.000 1.725 169 C CB -0.800 26.947 27.740 0.012 0.000 2.028 169 C HN 0.532 nan 8.230 nan 0.000 0.477 170 I N 1.017 121.509 120.570 -0.130 0.000 2.226 170 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 170 I C 2.719 178.632 176.117 -0.340 0.000 1.100 170 I CA 1.812 62.994 61.300 -0.197 0.000 1.374 170 I CB -0.927 36.964 38.000 -0.182 0.000 1.057 170 I HN 0.453 nan 8.210 nan 0.000 0.413 171 G N 0.493 108.939 108.800 -0.590 0.000 2.422 171 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 171 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 171 G C 1.490 175.946 174.900 -0.740 0.000 1.146 171 G CA 0.660 44.912 45.100 -1.414 0.000 0.769 171 G HN 0.345 nan 8.290 nan 0.000 0.547 172 N N 1.028 119.552 118.700 -0.294 0.000 2.188 172 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 172 N C 2.561 178.032 175.510 -0.066 0.000 1.018 172 N CA 1.116 54.141 53.050 -0.041 0.000 0.858 172 N CB -0.111 38.432 38.487 0.093 0.000 0.989 172 N HN 0.251 nan 8.380 nan 0.000 0.426 173 A N 0.729 123.473 122.820 -0.127 0.000 1.902 173 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 173 A C 2.467 179.977 177.584 -0.124 0.000 1.181 173 A CA 1.192 53.151 52.037 -0.129 0.000 0.623 173 A CB -0.739 18.168 19.000 -0.155 0.000 0.818 173 A HN 0.164 nan 8.150 nan 0.000 0.443 174 V N 0.140 119.961 119.914 -0.154 0.000 2.343 174 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 174 V C 2.386 178.451 176.094 -0.047 0.000 1.051 174 V CA 2.283 64.518 62.300 -0.109 0.000 1.036 174 V CB -0.856 30.891 31.823 -0.126 0.000 0.654 174 V HN 0.642 nan 8.190 nan 0.000 0.451 175 E N -0.497 119.689 120.200 -0.024 0.000 2.077 175 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 175 E C 2.392 179.003 176.600 0.018 0.000 0.989 175 E CA 1.141 57.563 56.400 0.036 0.000 0.800 175 E CB -0.152 29.600 29.700 0.087 0.000 0.746 175 E HN 0.554 nan 8.360 nan 0.000 0.452 176 Q N 0.277 120.076 119.800 -0.002 0.000 2.124 176 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 176 Q C 2.260 178.244 176.000 -0.027 0.000 0.977 176 Q CA 1.040 56.838 55.803 -0.008 0.000 0.850 176 Q CB -0.145 28.574 28.738 -0.031 0.000 0.901 176 Q HN 0.428 nan 8.270 nan 0.000 0.429 177 I N 0.638 121.180 120.570 -0.046 0.000 2.286 177 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 177 I C 2.327 178.429 176.117 -0.024 0.000 1.104 177 I CA 0.983 62.252 61.300 -0.051 0.000 1.397 177 I CB -0.198 37.760 38.000 -0.070 0.000 1.072 177 I HN 0.244 nan 8.210 nan 0.000 0.417 178 Q N 0.468 120.263 119.800 -0.009 0.000 2.170 178 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 178 Q C 2.139 178.146 176.000 0.011 0.000 0.976 178 Q CA 1.193 57.001 55.803 0.008 0.000 0.858 178 Q CB -0.054 28.700 28.738 0.026 0.000 0.907 178 Q HN 0.530 nan 8.270 nan 0.000 0.433 179 L N -0.480 120.751 121.223 0.012 0.000 2.610 179 L HA 0.067 4.407 4.340 -0.000 0.000 0.232 179 L C 1.159 178.033 176.870 0.008 0.000 1.149 179 L CA 0.402 55.251 54.840 0.015 0.000 0.872 179 L CB -0.243 41.829 42.059 0.022 0.000 0.992 179 L HN 0.425 nan 8.230 nan 0.000 0.447 180 G N 0.271 109.070 108.800 -0.001 0.000 2.153 180 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.252 180 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.252 180 G C 1.008 175.904 174.900 -0.008 0.000 0.994 180 G CA 0.682 45.779 45.100 -0.005 0.000 0.698 180 G HN 0.408 nan 8.290 nan 0.000 0.521 181 K N -0.871 119.525 120.400 -0.008 0.000 2.243 181 K HA 0.104 4.424 4.320 -0.000 0.000 0.201 181 K C 0.986 177.573 176.600 -0.022 0.000 1.051 181 K CA 0.806 57.090 56.287 -0.005 0.000 0.970 181 K CB 0.081 32.587 32.500 0.009 0.000 0.755 181 K HN 0.448 nan 8.250 nan 0.000 0.465 182 Q N -0.349 119.423 119.800 -0.047 0.000 2.416 182 Q HA 0.149 4.489 4.340 -0.000 0.000 0.281 182 Q C -0.577 175.346 176.000 -0.129 0.000 1.067 182 Q CA -0.372 55.381 55.803 -0.083 0.000 0.809 182 Q CB 1.985 30.666 28.738 -0.095 0.000 1.418 182 Q HN -0.042 nan 8.270 nan 0.000 0.411 183 D N 0.250 120.528 120.400 -0.202 0.000 2.338 183 D HA 0.279 4.919 4.640 -0.000 0.000 0.208 183 D C 0.281 176.344 176.300 -0.396 0.000 0.997 183 D CA 0.784 54.582 54.000 -0.337 0.000 0.880 183 D CB 1.398 41.844 40.800 -0.590 0.000 0.980 183 D HN 0.358 nan 8.370 nan 0.000 0.509 184 I N 0.635 120.994 120.570 -0.353 0.000 2.656 184 I HA 0.260 4.429 4.170 -0.000 0.000 0.292 184 I C -1.259 174.626 176.117 -0.385 0.000 1.144 184 I CA -0.784 60.277 61.300 -0.399 0.000 1.038 184 I CB 3.392 41.112 38.000 -0.467 0.000 1.244 184 I HN -0.415 nan 8.210 nan 0.000 0.420 185 V N 5.707 125.359 119.914 -0.437 0.000 2.612 185 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 185 V C -0.764 175.076 176.094 -0.424 0.000 1.059 185 V CA -0.587 61.503 62.300 -0.349 0.000 0.886 185 V CB 1.772 33.466 31.823 -0.215 0.000 1.007 185 V HN 0.385 nan 8.190 nan 0.000 0.426 186 F N 3.394 123.234 119.950 -0.184 0.000 2.438 186 F HA 0.690 5.217 4.527 0.000 0.000 0.356 186 F C 0.746 176.436 175.800 -0.184 0.000 1.099 186 F CA 0.033 57.906 58.000 -0.212 0.000 1.185 186 F CB 1.151 39.980 39.000 -0.284 0.000 1.115 186 F HN 0.582 nan 8.300 nan 0.000 0.526 187 A N 2.447 125.249 122.820 -0.030 0.000 2.414 187 A HA 0.941 5.261 4.320 -0.000 0.000 0.306 187 A C -0.065 177.483 177.584 -0.061 0.000 1.054 187 A CA 0.072 52.072 52.037 -0.061 0.000 0.724 187 A CB 1.527 20.465 19.000 -0.104 0.000 1.267 187 A HN 1.046 nan 8.150 nan 0.000 0.418 188 G N -0.354 108.416 108.800 -0.051 0.000 2.512 188 G HA2 0.734 4.694 3.960 -0.000 0.000 0.181 188 G HA3 0.734 4.694 3.960 -0.000 0.000 0.181 188 G C -0.132 174.752 174.900 -0.027 0.000 1.173 188 G CA 0.450 45.518 45.100 -0.054 0.000 0.988 188 G HN 2.372 nan 8.290 nan 0.000 0.485 189 G N -2.128 106.662 108.800 -0.017 0.000 2.342 189 G HA2 0.800 4.760 3.960 -0.000 0.000 0.297 189 G HA3 0.800 4.760 3.960 -0.000 0.000 0.297 189 G C -0.541 174.380 174.900 0.035 0.000 1.313 189 G CA 0.671 45.779 45.100 0.013 0.000 0.830 189 G HN 2.069 nan 8.290 nan 0.000 0.506 190 G N -1.298 107.540 108.800 0.063 0.000 2.692 190 G HA2 0.701 4.661 3.960 -0.000 0.000 0.291 190 G HA3 0.701 4.661 3.960 -0.000 0.000 0.291 190 G C -1.898 173.071 174.900 0.115 0.000 1.423 190 G CA -0.293 44.878 45.100 0.118 0.000 0.843 190 G HN 0.729 nan 8.290 nan 0.000 0.486 191 E N -0.378 119.929 120.200 0.179 0.000 2.321 191 E HA 0.361 4.711 4.350 -0.000 0.000 0.281 191 E C -0.288 176.441 176.600 0.215 0.000 0.910 191 E CA -0.671 55.810 56.400 0.135 0.000 0.770 191 E CB 1.565 31.306 29.700 0.067 0.000 1.225 191 E HN 0.705 nan 8.360 nan 0.000 0.417 192 E N 2.961 123.245 120.200 0.140 0.000 2.342 192 E HA 0.444 4.794 4.350 -0.000 0.000 0.257 192 E C -0.767 175.899 176.600 0.110 0.000 1.150 192 E CA -0.867 55.616 56.400 0.139 0.000 0.926 192 E CB 1.200 30.928 29.700 0.048 0.000 1.074 192 E HN 0.251 nan 8.360 nan 0.000 0.449 193 L N 2.060 123.325 121.223 0.070 0.000 2.343 193 L HA 0.466 4.806 4.340 -0.000 0.000 0.278 193 L C -1.353 175.547 176.870 0.050 0.000 0.996 193 L CA -0.323 54.516 54.840 -0.001 0.000 0.831 193 L CB 0.907 42.823 42.059 -0.239 0.000 1.232 193 L HN 0.938 nan 8.230 nan 0.000 0.413 194 C N 2.053 121.447 119.300 0.157 0.000 3.307 194 C HA 0.438 4.898 4.460 -0.000 0.000 0.333 194 C C 1.044 176.147 174.990 0.189 0.000 1.291 194 C CA -0.940 58.179 59.018 0.169 0.000 1.273 194 C CB 0.663 28.374 27.740 -0.048 0.000 1.580 194 C HN 1.056 nan 8.230 nan 0.000 0.481 195 W N 0.884 122.307 121.300 0.204 0.000 2.425 195 W HA 0.026 4.686 4.660 -0.000 0.000 0.277 195 W C 1.023 177.613 176.519 0.119 0.000 1.231 195 W CA 1.786 59.214 57.345 0.138 0.000 1.248 195 W CB -1.008 28.492 29.460 0.067 0.000 1.117 195 W HN 0.875 nan 8.180 nan 0.000 0.568 196 E N 0.791 120.351 120.200 -1.067 0.000 2.130 196 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 196 E C 2.341 178.762 176.600 -0.298 0.000 0.998 196 E CA 2.648 58.432 56.400 -1.028 0.000 0.806 196 E CB -0.611 28.557 29.700 -0.886 0.000 0.738 196 E HN 0.361 nan 8.360 nan 0.000 0.459 197 M N -0.801 118.737 119.600 -0.104 0.000 2.429 197 M HA 0.125 4.605 4.480 -0.000 0.000 0.265 197 M C 2.071 178.524 176.300 0.255 0.000 1.120 197 M CA 1.073 56.420 55.300 0.078 0.000 1.173 197 M CB 0.145 32.825 32.600 0.133 0.000 1.343 197 M HN 0.164 nan 8.290 nan 0.000 0.464 198 A N 0.539 123.531 122.820 0.287 0.000 1.940 198 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 198 A C 2.327 180.108 177.584 0.329 0.000 1.176 198 A CA 1.792 54.052 52.037 0.371 0.000 0.631 198 A CB -1.706 17.483 19.000 0.314 0.000 0.814 198 A HN 0.867 nan 8.150 nan 0.000 0.446 199 C N -0.780 118.690 119.300 0.283 0.000 2.411 199 C HA -0.061 4.399 4.460 -0.000 0.000 0.279 199 C C 2.187 177.277 174.990 0.166 0.000 1.288 199 C CA 1.193 60.358 59.018 0.245 0.000 1.764 199 C CB -1.504 26.434 27.740 0.330 0.000 1.974 199 C HN 0.603 nan 8.230 nan 0.000 0.498 200 E N 0.577 120.842 120.200 0.108 0.000 2.153 200 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 200 E C 1.733 178.298 176.600 -0.060 0.000 0.988 200 E CA 1.431 57.815 56.400 -0.026 0.000 0.811 200 E CB -0.368 29.237 29.700 -0.158 0.000 0.746 200 E HN 0.783 nan 8.360 nan 0.000 0.466 201 F N 0.474 120.498 119.950 0.124 0.000 2.234 201 F HA -0.080 4.447 4.527 0.000 0.000 0.296 201 F C 2.126 177.956 175.800 0.049 0.000 1.089 201 F CA 0.988 59.064 58.000 0.126 0.000 1.343 201 F CB -0.116 38.953 39.000 0.115 0.000 1.040 201 F HN 0.004 nan 8.300 nan 0.000 0.498 202 D N 0.265 120.788 120.400 0.206 0.000 2.117 202 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 202 D C 2.253 178.605 176.300 0.087 0.000 0.982 202 D CA 1.204 55.269 54.000 0.108 0.000 0.828 202 D CB -0.196 40.664 40.800 0.100 0.000 0.967 202 D HN 0.162 nan 8.370 nan 0.000 0.464 203 A N -0.077 122.794 122.820 0.086 0.000 2.125 203 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 203 A C 2.239 179.854 177.584 0.051 0.000 1.156 203 A CA 1.018 53.090 52.037 0.058 0.000 0.671 203 A CB -0.484 18.545 19.000 0.048 0.000 0.794 203 A HN 0.301 nan 8.150 nan 0.000 0.459 204 M N -2.059 117.586 119.600 0.074 0.000 2.510 204 M HA 0.164 4.644 4.480 -0.000 0.000 0.256 204 M C 1.368 177.720 176.300 0.086 0.000 1.132 204 M CA 0.845 56.191 55.300 0.078 0.000 1.105 204 M CB 0.333 33.011 32.600 0.130 0.000 1.375 204 M HN 0.613 nan 8.290 nan 0.000 0.477 205 G N 0.471 109.321 108.800 0.083 0.000 2.137 205 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 205 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 205 G C 0.686 175.634 174.900 0.079 0.000 1.002 205 G CA 0.310 45.448 45.100 0.063 0.000 0.702 205 G HN 0.548 nan 8.290 nan 0.000 0.515 206 A N -0.850 122.037 122.820 0.111 0.000 2.132 206 A HA 0.665 4.985 4.320 -0.000 0.000 0.213 206 A C 1.224 178.696 177.584 -0.186 0.000 1.154 206 A CA 0.676 52.788 52.037 0.124 0.000 0.753 206 A CB 0.131 19.376 19.000 0.410 0.000 0.826 206 A HN 0.650 nan 8.150 nan 0.000 0.469 207 L N 0.007 121.083 121.223 -0.245 0.000 2.343 207 L HA 0.355 4.695 4.340 -0.000 0.000 0.275 207 L C 0.758 177.550 176.870 -0.130 0.000 1.056 207 L CA -0.590 54.032 54.840 -0.363 0.000 0.804 207 L CB 1.570 43.456 42.059 -0.288 0.000 1.203 207 L HN 0.164 nan 8.230 nan 0.000 0.440 208 S N 0.153 115.805 115.700 -0.079 0.000 2.549 208 S HA 0.158 4.628 4.470 -0.000 0.000 0.283 208 S C 0.732 175.336 174.600 0.006 0.000 1.320 208 S CA 0.230 58.453 58.200 0.038 0.000 1.058 208 S CB 0.495 63.766 63.200 0.117 0.000 0.882 208 S HN 0.835 nan 8.310 nan 0.000 0.498 209 T N 1.158 115.710 114.554 -0.004 0.000 3.080 209 T HA 0.335 4.685 4.350 -0.000 0.000 0.280 209 T C 0.779 175.401 174.700 -0.130 0.000 0.926 209 T CA -0.466 61.581 62.100 -0.089 0.000 0.883 209 T CB -0.121 68.687 68.868 -0.100 0.000 1.194 209 T HN 0.602 nan 8.240 nan 0.000 0.541 210 K N 0.338 120.642 120.400 -0.160 0.000 2.404 210 K HA 0.254 4.574 4.320 -0.000 0.000 0.194 210 K C -0.351 175.908 176.600 -0.569 0.000 1.023 210 K CA 0.234 56.293 56.287 -0.380 0.000 1.094 210 K CB 0.165 32.364 32.500 -0.502 0.000 0.841 210 K HN 0.478 nan 8.250 nan 0.000 0.523 211 Y N -0.317 119.975 120.300 -0.013 0.000 2.716 211 Y HA 0.216 4.766 4.550 0.000 0.000 0.260 211 Y C 0.736 176.651 175.900 0.025 0.000 1.141 211 Y CA -0.567 57.537 58.100 0.007 0.000 1.168 211 Y CB -0.100 38.372 38.460 0.020 0.000 1.189 211 Y HN 0.077 nan 8.280 nan 0.000 0.549 212 N N 0.562 119.320 118.700 0.097 0.000 2.272 212 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 212 N C 0.830 176.441 175.510 0.167 0.000 1.014 212 N CA 1.256 54.395 53.050 0.148 0.000 0.870 212 N CB 0.094 38.632 38.487 0.085 0.000 0.975 212 N HN 0.352 nan 8.380 nan 0.000 0.433 213 D N -0.190 120.264 120.400 0.090 0.000 2.317 213 D HA -0.042 4.598 4.640 -0.000 0.000 0.211 213 D C 0.648 176.986 176.300 0.063 0.000 0.966 213 D CA 1.010 55.035 54.000 0.041 0.000 0.876 213 D CB 0.106 40.913 40.800 0.011 0.000 0.927 213 D HN 0.323 nan 8.370 nan 0.000 0.519 214 T N -2.073 112.552 114.554 0.118 0.000 3.504 214 T HA 0.328 4.678 4.350 -0.000 0.000 0.286 214 T C -2.308 172.469 174.700 0.128 0.000 1.530 214 T CA -1.665 60.502 62.100 0.111 0.000 1.652 214 T CB 1.785 70.723 68.868 0.116 0.000 0.895 214 T HN -0.293 nan 8.240 nan 0.000 0.674 215 P HA -0.188 nan 4.420 nan 0.000 0.218 215 P C 1.334 178.692 177.300 0.097 0.000 1.154 215 P CA 1.404 64.592 63.100 0.146 0.000 0.872 215 P CB 0.116 31.925 31.700 0.182 0.000 0.790 216 E N -0.908 119.335 120.200 0.072 0.000 2.472 216 E HA -0.119 4.231 4.350 -0.000 0.000 0.200 216 E C 1.272 177.870 176.600 -0.004 0.000 1.046 216 E CA 0.699 57.122 56.400 0.038 0.000 0.871 216 E CB -0.223 29.496 29.700 0.032 0.000 0.806 216 E HN 0.396 nan 8.360 nan 0.000 0.533 217 K N -0.448 119.937 120.400 -0.025 0.000 2.374 217 K HA 0.220 4.540 4.320 -0.000 0.000 0.202 217 K C 1.668 178.083 176.600 -0.307 0.000 1.040 217 K CA 0.213 56.423 56.287 -0.129 0.000 1.085 217 K CB 0.793 33.229 32.500 -0.107 0.000 0.873 217 K HN -0.031 nan 8.250 nan 0.000 0.539 218 A N 1.160 123.888 122.820 -0.154 0.000 1.902 218 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 218 A C 1.377 178.881 177.584 -0.133 0.000 1.181 218 A CA 1.191 53.149 52.037 -0.130 0.000 0.623 218 A CB -0.121 18.937 19.000 0.097 0.000 0.818 218 A HN 0.154 nan 8.150 nan 0.000 0.443 219 S N 0.658 116.320 115.700 -0.064 0.000 2.400 219 S HA 0.401 4.871 4.470 -0.000 0.000 0.295 219 S C 0.330 174.879 174.600 -0.086 0.000 1.113 219 S CA -0.636 57.544 58.200 -0.034 0.000 1.064 219 S CB -0.186 63.020 63.200 0.010 0.000 0.990 219 S HN 0.488 nan 8.310 nan 0.000 0.502 220 R N 2.836 123.279 120.500 -0.096 0.000 2.638 220 R HA 0.200 4.540 4.340 -0.000 0.000 0.269 220 R C -0.690 175.560 176.300 -0.083 0.000 1.393 220 R CA -0.642 55.401 56.100 -0.094 0.000 1.531 220 R CB -0.857 29.362 30.300 -0.135 0.000 1.327 220 R HN 0.410 nan 8.270 nan 0.000 0.709 221 T N 2.101 116.564 114.554 -0.152 0.000 2.891 221 T HA -0.100 4.250 4.350 -0.000 0.000 0.296 221 T C -0.059 174.458 174.700 -0.306 0.000 1.025 221 T CA 0.962 62.849 62.100 -0.356 0.000 1.149 221 T CB -0.140 68.384 68.868 -0.574 0.000 1.007 221 T HN 0.544 nan 8.240 nan 0.000 0.528 222 Y N -1.283 119.034 120.300 0.029 0.000 4.936 222 Y HA -0.206 4.344 4.550 0.000 0.000 0.260 222 Y C 0.696 176.608 175.900 0.019 0.000 0.928 222 Y CA 0.442 58.556 58.100 0.024 0.000 1.869 222 Y CB -2.280 36.192 38.460 0.019 0.000 1.344 222 Y HN 0.771 nan 8.280 nan 0.000 0.521 223 D N 0.461 120.931 120.400 0.117 0.000 2.350 223 D HA 0.579 5.219 4.640 -0.000 0.000 0.249 223 D C 1.268 177.602 176.300 0.057 0.000 1.119 223 D CA 0.757 54.813 54.000 0.092 0.000 0.886 223 D CB 1.326 42.170 40.800 0.073 0.000 1.195 223 D HN 0.257 nan 8.370 nan 0.000 0.437 224 A N 3.198 126.017 122.820 -0.001 0.000 2.076 224 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 224 A C 1.080 178.482 177.584 -0.303 0.000 1.160 224 A CA 1.422 53.356 52.037 -0.171 0.000 0.653 224 A CB -0.594 18.234 19.000 -0.286 0.000 0.801 224 A HN 0.781 nan 8.150 nan 0.000 0.455 225 H N -0.525 118.604 119.070 0.100 0.000 2.488 225 H HA 0.201 4.757 4.556 -0.000 0.000 0.294 225 H C 0.469 175.913 175.328 0.194 0.000 1.088 225 H CA -0.333 55.803 56.048 0.147 0.000 1.086 225 H CB 0.053 29.929 29.762 0.191 0.000 1.569 225 H HN 0.601 nan 8.280 nan 0.000 0.548 226 R N 1.279 121.886 120.500 0.179 0.000 2.694 226 R HA 0.062 4.402 4.340 -0.000 0.000 0.268 226 R C -0.419 175.994 176.300 0.189 0.000 1.061 226 R CA 0.186 56.379 56.100 0.154 0.000 1.133 226 R CB 0.524 30.868 30.300 0.074 0.000 1.020 226 R HN 0.235 nan 8.270 nan 0.000 0.475 227 D N 0.117 120.640 120.400 0.206 0.000 2.785 227 D HA 0.221 4.861 4.640 -0.000 0.000 0.324 227 D C 0.002 176.375 176.300 0.122 0.000 1.523 227 D CA 0.012 54.110 54.000 0.164 0.000 0.789 227 D CB 0.457 41.361 40.800 0.173 0.000 1.171 227 D HN 0.903 nan 8.370 nan 0.000 0.447 228 G N 0.437 109.312 108.800 0.125 0.000 2.362 228 G HA2 0.253 4.213 3.960 -0.000 0.000 0.656 228 G HA3 0.253 4.213 3.960 -0.000 0.000 0.656 228 G C -0.637 174.342 174.900 0.131 0.000 1.376 228 G CA -0.705 44.458 45.100 0.105 0.000 0.971 228 G HN 0.292 nan 8.290 nan 0.000 0.636 229 F N -0.429 119.574 119.950 0.089 0.000 2.375 229 F HA 0.816 5.343 4.527 0.000 0.000 0.313 229 F C 0.227 176.067 175.800 0.066 0.000 1.176 229 F CA -1.408 56.634 58.000 0.069 0.000 1.142 229 F CB 1.219 40.278 39.000 0.098 0.000 1.275 229 F HN 0.388 nan 8.300 nan 0.000 0.544 230 V N 4.108 124.219 119.914 0.328 0.000 2.347 230 V HA 0.263 4.383 4.120 -0.000 0.000 0.280 230 V C 0.207 176.512 176.094 0.350 0.000 1.021 230 V CA -0.881 61.543 62.300 0.207 0.000 0.847 230 V CB 1.109 33.034 31.823 0.169 0.000 0.990 230 V HN 0.856 nan 8.190 nan 0.000 0.444 231 I N 4.682 125.409 120.570 0.260 0.000 2.754 231 I HA 0.521 4.691 4.170 -0.000 0.000 0.285 231 I C 0.473 176.718 176.117 0.214 0.000 1.166 231 I CA 0.504 61.971 61.300 0.278 0.000 1.417 231 I CB 0.874 38.981 38.000 0.179 0.000 1.382 231 I HN 0.797 nan 8.210 nan 0.000 0.588 232 A N 4.869 127.760 122.820 0.119 0.000 2.569 232 A HA 0.876 5.196 4.320 -0.000 0.000 0.290 232 A C -0.641 176.926 177.584 -0.029 0.000 1.136 232 A CA -0.142 51.913 52.037 0.031 0.000 0.710 232 A CB 1.366 20.389 19.000 0.038 0.000 1.303 232 A HN 0.834 nan 8.150 nan 0.000 0.413 233 G N -1.714 107.020 108.800 -0.110 0.000 2.658 233 G HA2 0.923 4.883 3.960 -0.000 0.000 0.292 233 G HA3 0.923 4.883 3.960 -0.000 0.000 0.292 233 G C -0.094 174.659 174.900 -0.245 0.000 1.320 233 G CA -0.226 44.816 45.100 -0.096 0.000 0.933 233 G HN 2.243 nan 8.290 nan 0.000 0.476 234 G N -2.018 106.608 108.800 -0.289 0.000 2.350 234 G HA2 0.628 4.588 3.960 -0.000 0.000 0.282 234 G HA3 0.628 4.588 3.960 -0.000 0.000 0.282 234 G C -0.391 174.441 174.900 -0.113 0.000 1.314 234 G CA 0.240 45.039 45.100 -0.501 0.000 0.915 234 G HN 1.899 nan 8.290 nan 0.000 0.499 235 G N -1.944 106.803 108.800 -0.087 0.000 2.682 235 G HA2 1.033 4.993 3.960 -0.000 0.000 0.290 235 G HA3 1.033 4.993 3.960 -0.000 0.000 0.290 235 G C -0.371 174.506 174.900 -0.037 0.000 1.425 235 G CA 0.245 45.361 45.100 0.026 0.000 0.807 235 G HN 2.097 nan 8.290 nan 0.000 0.482 236 G N -1.358 107.419 108.800 -0.039 0.000 2.667 236 G HA2 0.663 4.623 3.960 -0.000 0.000 0.294 236 G HA3 0.663 4.623 3.960 -0.000 0.000 0.294 236 G C -1.724 173.130 174.900 -0.077 0.000 1.467 236 G CA -0.544 44.506 45.100 -0.084 0.000 0.852 236 G HN 0.962 nan 8.290 nan 0.000 0.521 237 M N 0.893 120.438 119.600 -0.092 0.000 2.414 237 M HA 0.674 5.154 4.480 -0.000 0.000 0.287 237 M C -1.093 175.154 176.300 -0.088 0.000 1.181 237 M CA -0.662 54.588 55.300 -0.085 0.000 0.933 237 M CB 2.326 34.867 32.600 -0.098 0.000 1.732 237 M HN 1.288 nan 8.290 nan 0.000 0.486 238 V N 1.388 121.255 119.914 -0.079 0.000 2.962 238 V HA 0.910 5.030 4.120 -0.000 0.000 0.313 238 V C -1.291 174.755 176.094 -0.081 0.000 1.099 238 V CA -0.919 61.327 62.300 -0.091 0.000 0.971 238 V CB 1.927 33.672 31.823 -0.129 0.000 1.028 238 V HN 0.614 nan 8.190 nan 0.000 0.430 239 V N 3.358 123.214 119.914 -0.097 0.000 2.334 239 V HA 0.365 4.485 4.120 -0.000 0.000 0.267 239 V C 0.141 176.109 176.094 -0.209 0.000 1.040 239 V CA -0.370 61.798 62.300 -0.221 0.000 0.866 239 V CB 1.097 32.808 31.823 -0.186 0.000 1.019 239 V HN 0.729 nan 8.190 nan 0.000 0.468 240 V N 5.216 124.974 119.914 -0.260 0.000 2.406 240 V HA 0.432 4.552 4.120 -0.000 0.000 0.272 240 V C 0.108 176.065 176.094 -0.229 0.000 1.043 240 V CA -0.213 61.966 62.300 -0.201 0.000 0.915 240 V CB 1.269 32.980 31.823 -0.187 0.000 0.988 240 V HN 0.970 nan 8.190 nan 0.000 0.466 241 E N 2.958 123.061 120.200 -0.162 0.000 2.314 241 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 241 E C -0.716 175.829 176.600 -0.093 0.000 0.884 241 E CA -0.740 55.569 56.400 -0.152 0.000 0.753 241 E CB 1.715 31.350 29.700 -0.107 0.000 1.213 241 E HN 0.685 nan 8.360 nan 0.000 0.432 242 E N 3.985 124.129 120.200 -0.093 0.000 2.376 242 E HA -0.043 4.307 4.350 -0.000 0.000 0.266 242 E C 0.820 177.426 176.600 0.009 0.000 1.009 242 E CA -0.084 56.292 56.400 -0.040 0.000 0.902 242 E CB 1.051 30.728 29.700 -0.037 0.000 0.972 242 E HN 0.650 nan 8.360 nan 0.000 0.439 243 L N 5.860 127.082 121.223 -0.001 0.000 1.997 243 L HA -0.256 4.084 4.340 -0.000 0.000 0.216 243 L C 1.905 178.785 176.870 0.017 0.000 1.074 243 L CA 2.018 56.859 54.840 0.001 0.000 0.763 243 L CB -0.428 41.627 42.059 -0.008 0.000 0.890 243 L HN 0.559 nan 8.230 nan 0.000 0.434 244 E N -1.016 119.199 120.200 0.025 0.000 2.085 244 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 244 E C 2.238 178.859 176.600 0.035 0.000 0.994 244 E CA 1.509 57.922 56.400 0.022 0.000 0.801 244 E CB -0.749 28.965 29.700 0.023 0.000 0.743 244 E HN 0.690 nan 8.360 nan 0.000 0.453 245 H N 0.472 119.525 119.070 -0.029 0.000 2.353 245 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 245 H C 1.864 177.173 175.328 -0.031 0.000 1.090 245 H CA 1.753 57.784 56.048 -0.029 0.000 1.327 245 H CB 0.189 29.930 29.762 -0.036 0.000 1.383 245 H HN 0.137 nan 8.280 nan 0.000 0.508 246 A N 1.108 123.987 122.820 0.099 0.000 1.873 246 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 246 A C 2.879 180.451 177.584 -0.021 0.000 1.186 246 A CA 1.177 53.236 52.037 0.036 0.000 0.616 246 A CB -0.861 18.148 19.000 0.016 0.000 0.823 246 A HN 0.399 nan 8.150 nan 0.000 0.442 247 L N -0.696 120.513 121.223 -0.024 0.000 2.046 247 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 247 L C 3.121 179.962 176.870 -0.048 0.000 1.077 247 L CA 1.089 55.909 54.840 -0.034 0.000 0.747 247 L CB -0.626 41.417 42.059 -0.027 0.000 0.896 247 L HN 0.444 nan 8.230 nan 0.000 0.432 248 A N 1.130 123.908 122.820 -0.070 0.000 1.908 248 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 248 A C 2.252 179.778 177.584 -0.097 0.000 1.181 248 A CA 1.994 53.977 52.037 -0.090 0.000 0.627 248 A CB -0.589 18.334 19.000 -0.129 0.000 0.818 248 A HN 0.585 nan 8.150 nan 0.000 0.445 249 R N -0.966 119.463 120.500 -0.119 0.000 2.320 249 R HA 0.317 4.657 4.340 -0.000 0.000 0.211 249 R C 0.971 177.245 176.300 -0.044 0.000 0.931 249 R CA 0.663 56.710 56.100 -0.088 0.000 1.071 249 R CB -0.723 29.513 30.300 -0.105 0.000 1.025 249 R HN 0.821 nan 8.270 nan 0.000 0.495 250 G N 0.792 109.569 108.800 -0.039 0.000 2.246 250 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.273 250 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.273 250 G C 0.262 175.156 174.900 -0.009 0.000 1.055 250 G CA 0.187 45.273 45.100 -0.022 0.000 0.851 250 G HN 0.718 nan 8.290 nan 0.000 0.500 251 A N -0.397 122.417 122.820 -0.009 0.000 2.386 251 A HA 0.597 4.917 4.320 -0.000 0.000 0.248 251 A C 0.409 177.994 177.584 0.002 0.000 1.082 251 A CA 0.286 52.327 52.037 0.008 0.000 0.789 251 A CB 0.321 19.326 19.000 0.008 0.000 1.025 251 A HN 1.398 nan 8.150 nan 0.000 0.490 252 H N 0.960 119.974 119.070 -0.092 0.000 2.742 252 H HA 0.500 5.056 4.556 -0.000 0.000 0.302 252 H C -0.671 174.536 175.328 -0.201 0.000 1.069 252 H CA -0.251 55.696 56.048 -0.170 0.000 1.446 252 H CB 0.048 29.670 29.762 -0.234 0.000 1.462 252 H HN 0.421 nan 8.280 nan 0.000 0.499 253 I N 6.946 127.122 120.570 -0.658 0.000 2.321 253 I HA 0.030 4.200 4.170 -0.000 0.000 0.291 253 I C 0.048 175.773 176.117 -0.653 0.000 0.998 253 I CA -0.485 60.523 61.300 -0.487 0.000 1.227 253 I CB 0.994 38.857 38.000 -0.228 0.000 1.368 253 I HN 0.745 nan 8.210 nan 0.000 0.466 254 Y N 5.021 125.093 120.300 -0.380 0.000 2.206 254 Y HA 0.269 4.819 4.550 -0.000 0.000 0.292 254 Y C 1.226 177.037 175.900 -0.148 0.000 1.123 254 Y CA 0.894 58.851 58.100 -0.238 0.000 1.142 254 Y CB 0.172 38.566 38.460 -0.110 0.000 1.006 254 Y HN 0.677 nan 8.280 nan 0.000 0.518 255 A N -0.755 122.092 122.820 0.046 0.000 2.544 255 A HA 0.396 4.716 4.320 -0.000 0.000 0.291 255 A C -1.492 176.087 177.584 -0.008 0.000 1.055 255 A CA -0.846 51.196 52.037 0.008 0.000 0.651 255 A CB 0.627 19.642 19.000 0.025 0.000 1.296 255 A HN 0.073 nan 8.150 nan 0.000 0.431 256 E N 0.410 120.602 120.200 -0.013 0.000 2.231 256 E HA 0.604 4.954 4.350 -0.000 0.000 0.277 256 E C -1.106 175.488 176.600 -0.010 0.000 0.999 256 E CA -0.600 55.790 56.400 -0.016 0.000 0.827 256 E CB 0.876 30.568 29.700 -0.014 0.000 1.101 256 E HN 0.481 nan 8.360 nan 0.000 0.393 257 I N 5.754 126.315 120.570 -0.015 0.000 2.294 257 I HA 0.024 4.194 4.170 -0.000 0.000 0.295 257 I C 1.055 177.180 176.117 0.013 0.000 1.098 257 I CA -0.271 61.024 61.300 -0.008 0.000 1.277 257 I CB 0.844 38.825 38.000 -0.030 0.000 1.434 257 I HN 0.503 nan 8.210 nan 0.000 0.498 258 V N 2.664 122.592 119.914 0.023 0.000 3.650 258 V HA 0.468 4.588 4.120 -0.000 0.000 0.271 258 V C 0.737 176.862 176.094 0.052 0.000 1.281 258 V CA 0.220 62.538 62.300 0.029 0.000 1.120 258 V CB -0.125 31.709 31.823 0.019 0.000 0.856 258 V HN 0.685 nan 8.190 nan 0.000 0.443 259 G N -0.359 108.485 108.800 0.073 0.000 2.753 259 G HA2 0.536 4.496 3.960 -0.000 0.000 0.297 259 G HA3 0.536 4.496 3.960 -0.000 0.000 0.297 259 G C -2.247 172.757 174.900 0.173 0.000 1.430 259 G CA -0.553 44.609 45.100 0.104 0.000 1.040 259 G HN 0.331 nan 8.290 nan 0.000 0.530 260 Y N 1.625 121.941 120.300 0.027 0.000 2.332 260 Y HA 0.691 5.241 4.550 -0.000 0.000 0.325 260 Y C -0.093 175.832 175.900 0.041 0.000 1.054 260 Y CA -1.247 56.868 58.100 0.026 0.000 1.119 260 Y CB 1.723 40.199 38.460 0.027 0.000 1.168 260 Y HN 0.804 nan 8.280 nan 0.000 0.439 261 G N 3.019 111.703 108.800 -0.193 0.000 2.420 261 G HA2 0.772 4.732 3.960 -0.000 0.000 0.331 261 G HA3 0.772 4.732 3.960 -0.000 0.000 0.331 261 G C -1.677 172.996 174.900 -0.378 0.000 1.168 261 G CA -0.633 44.289 45.100 -0.297 0.000 0.936 261 G HN 1.192 nan 8.290 nan 0.000 0.479 262 A N 1.155 123.795 122.820 -0.301 0.000 2.466 262 A HA 0.827 5.147 4.320 -0.000 0.000 0.284 262 A C -0.089 177.490 177.584 -0.009 0.000 1.049 262 A CA -0.007 51.998 52.037 -0.055 0.000 0.760 262 A CB 1.162 20.119 19.000 -0.072 0.000 1.274 262 A HN 1.618 nan 8.150 nan 0.000 0.412 263 T N -1.452 113.146 114.554 0.073 0.000 2.716 263 T HA 0.872 5.222 4.350 -0.000 0.000 0.286 263 T C -0.283 174.458 174.700 0.067 0.000 1.052 263 T CA -0.409 61.713 62.100 0.037 0.000 1.024 263 T CB 1.707 70.582 68.868 0.012 0.000 1.349 263 T HN 1.503 nan 8.240 nan 0.000 0.525 264 S N -1.017 114.703 115.700 0.033 0.000 2.536 264 S HA 0.472 4.942 4.470 -0.000 0.000 0.287 264 S C -0.274 174.335 174.600 0.015 0.000 1.101 264 S CA -0.615 57.607 58.200 0.037 0.000 0.950 264 S CB 1.599 64.812 63.200 0.022 0.000 1.056 264 S HN 0.684 nan 8.310 nan 0.000 0.481 265 D N 2.714 123.124 120.400 0.017 0.000 2.137 265 D HA 0.159 4.799 4.640 -0.000 0.000 0.202 265 D C 1.464 177.763 176.300 -0.002 0.000 0.970 265 D CA 1.423 55.421 54.000 -0.003 0.000 0.837 265 D CB -0.518 40.279 40.800 -0.005 0.000 0.981 265 D HN 1.048 nan 8.370 nan 0.000 0.475 266 G N 0.283 109.088 108.800 0.007 0.000 2.305 266 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.287 266 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.287 266 G C 0.640 175.540 174.900 -0.001 0.000 1.036 266 G CA 0.897 45.999 45.100 0.003 0.000 0.887 266 G HN 0.619 nan 8.290 nan 0.000 0.505 267 A N -0.906 121.914 122.820 0.000 0.000 1.795 267 A HA 0.691 5.011 4.320 -0.000 0.000 0.182 267 A C 0.420 178.001 177.584 -0.004 0.000 2.073 267 A CA 1.073 53.107 52.037 -0.004 0.000 1.402 267 A CB 0.302 19.296 19.000 -0.009 0.000 0.977 267 A HN 0.498 nan 8.150 nan 0.000 0.648 268 D N -1.244 119.154 120.400 -0.004 0.000 2.198 268 D HA 0.491 5.131 4.640 -0.000 0.000 0.247 268 D C 1.072 177.364 176.300 -0.013 0.000 1.010 268 D CA -0.498 53.494 54.000 -0.013 0.000 0.880 268 D CB 0.884 41.674 40.800 -0.017 0.000 1.209 268 D HN 0.115 nan 8.370 nan 0.000 0.451 269 M N 2.016 121.593 119.600 -0.038 0.000 2.254 269 M HA -0.013 4.467 4.480 -0.000 0.000 0.265 269 M C 1.356 177.572 176.300 -0.141 0.000 1.066 269 M CA 1.070 56.338 55.300 -0.053 0.000 1.123 269 M CB -0.245 32.315 32.600 -0.068 0.000 1.388 269 M HN 0.512 nan 8.290 nan 0.000 0.425 270 V N -4.274 115.502 119.914 -0.229 0.000 3.398 270 V HA 0.576 4.696 4.120 -0.000 0.000 0.298 270 V C 0.492 176.499 176.094 -0.145 0.000 1.496 270 V CA -0.142 61.861 62.300 -0.495 0.000 1.044 270 V CB -0.429 30.933 31.823 -0.768 0.000 0.880 270 V HN 0.117 nan 8.190 nan 0.000 0.443 271 A N 1.398 124.198 122.820 -0.034 0.000 2.331 271 A HA 0.938 5.258 4.320 -0.000 0.000 0.320 271 A C -2.939 174.671 177.584 0.044 0.000 1.138 271 A CA -1.797 50.261 52.037 0.035 0.000 0.790 271 A CB 0.923 19.931 19.000 0.014 0.000 1.206 271 A HN 0.276 nan 8.150 nan 0.000 0.470 272 P HA 0.128 nan 4.420 nan 0.000 0.271 272 P C 0.885 178.160 177.300 -0.041 0.000 1.216 272 P CA 0.074 63.166 63.100 -0.013 0.000 0.776 272 P CB 1.150 32.819 31.700 -0.052 0.000 0.881 273 S N 1.527 117.187 115.700 -0.067 0.000 2.478 273 S HA 0.159 4.629 4.470 -0.000 0.000 0.222 273 S C 1.693 176.247 174.600 -0.076 0.000 1.008 273 S CA 0.793 58.959 58.200 -0.055 0.000 0.928 273 S CB -0.907 62.266 63.200 -0.045 0.000 0.781 273 S HN 0.673 nan 8.310 nan 0.000 0.518 274 G N 1.879 110.598 108.800 -0.135 0.000 2.498 274 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.229 274 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.229 274 G C 0.943 175.773 174.900 -0.116 0.000 1.156 274 G CA 0.579 45.596 45.100 -0.139 0.000 0.680 274 G HN 0.478 nan 8.290 nan 0.000 0.512 275 E N 1.862 122.013 120.200 -0.081 0.000 2.110 275 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 275 E C 2.605 179.164 176.600 -0.068 0.000 0.988 275 E CA 2.206 58.569 56.400 -0.061 0.000 0.804 275 E CB -0.936 28.738 29.700 -0.044 0.000 0.745 275 E HN 0.645 nan 8.360 nan 0.000 0.458 276 G N 0.656 109.406 108.800 -0.083 0.000 2.408 276 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 276 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 276 G C 1.731 176.581 174.900 -0.083 0.000 1.150 276 G CA 1.108 46.166 45.100 -0.070 0.000 0.776 276 G HN 0.411 nan 8.290 nan 0.000 0.542 277 A N 0.187 122.897 122.820 -0.182 0.000 1.930 277 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 277 A C 2.577 180.142 177.584 -0.033 0.000 1.175 277 A CA 1.657 53.583 52.037 -0.186 0.000 0.627 277 A CB -0.507 18.169 19.000 -0.540 0.000 0.815 277 A HN 0.232 nan 8.150 nan 0.000 0.443 278 V N 0.038 119.919 119.914 -0.055 0.000 2.295 278 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 278 V C 2.633 178.704 176.094 -0.038 0.000 1.049 278 V CA 2.289 64.567 62.300 -0.037 0.000 1.024 278 V CB -0.784 31.012 31.823 -0.046 0.000 0.648 278 V HN 0.536 nan 8.190 nan 0.000 0.447 279 R N -1.108 119.369 120.500 -0.039 0.000 2.096 279 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 279 R C 2.394 178.676 176.300 -0.030 0.000 1.127 279 R CA 1.636 57.711 56.100 -0.041 0.000 0.968 279 R CB -0.869 29.406 30.300 -0.041 0.000 0.861 279 R HN 0.558 nan 8.270 nan 0.000 0.440 280 C N 0.742 120.042 119.300 0.000 0.000 2.432 280 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 280 C C 2.600 177.604 174.990 0.024 0.000 1.249 280 C CA 0.884 59.917 59.018 0.026 0.000 1.725 280 C CB -0.641 27.167 27.740 0.114 0.000 2.028 280 C HN 0.464 nan 8.230 nan 0.000 0.477 281 M N 0.005 119.629 119.600 0.041 0.000 2.175 281 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 281 M C 2.235 178.511 176.300 -0.040 0.000 1.063 281 M CA 1.683 56.996 55.300 0.022 0.000 1.119 281 M CB -0.420 32.199 32.600 0.032 0.000 1.377 281 M HN 0.377 nan 8.290 nan 0.000 0.415 282 K N 0.004 120.366 120.400 -0.063 0.000 2.097 282 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 282 K C 1.987 178.568 176.600 -0.032 0.000 1.050 282 K CA 1.204 57.447 56.287 -0.072 0.000 0.938 282 K CB -0.170 32.283 32.500 -0.078 0.000 0.718 282 K HN 0.355 nan 8.250 nan 0.000 0.442 283 M N 0.568 120.144 119.600 -0.039 0.000 2.132 283 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 283 M C 2.116 178.421 176.300 0.008 0.000 1.065 283 M CA 1.648 56.922 55.300 -0.043 0.000 1.122 283 M CB -0.083 32.468 32.600 -0.082 0.000 1.365 283 M HN 0.158 nan 8.290 nan 0.000 0.411 284 A N 0.103 122.926 122.820 0.006 0.000 2.015 284 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 284 A C 1.874 179.493 177.584 0.058 0.000 1.163 284 A CA 1.414 53.476 52.037 0.041 0.000 0.646 284 A CB -0.622 18.408 19.000 0.050 0.000 0.806 284 A HN 0.649 nan 8.150 nan 0.000 0.448 285 M N -1.025 118.600 119.600 0.043 0.000 2.495 285 M HA 0.076 4.556 4.480 -0.000 0.000 0.237 285 M C 0.386 176.720 176.300 0.057 0.000 1.131 285 M CA -0.126 55.195 55.300 0.035 0.000 1.032 285 M CB -0.009 32.581 32.600 -0.018 0.000 1.513 285 M HN 0.467 nan 8.290 nan 0.000 0.488 286 H N 0.379 119.436 119.070 -0.021 0.000 3.046 286 H HA 0.240 4.796 4.556 0.000 0.000 0.303 286 H C 1.154 176.478 175.328 -0.006 0.000 1.002 286 H CA 1.433 57.470 56.048 -0.018 0.000 1.460 286 H CB 0.225 29.976 29.762 -0.020 0.000 1.493 286 H HN 0.474 nan 8.280 nan 0.000 0.559 287 G N 3.317 111.891 108.800 -0.376 0.000 2.179 287 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 287 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 287 G C -0.107 174.727 174.900 -0.110 0.000 0.977 287 G CA 0.300 45.236 45.100 -0.273 0.000 0.641 287 G HN 0.657 nan 8.290 nan 0.000 0.533 288 V N 2.186 122.064 119.914 -0.060 0.000 2.320 288 V HA 0.387 4.507 4.120 -0.000 0.000 0.265 288 V C 0.957 177.043 176.094 -0.012 0.000 1.048 288 V CA 0.427 62.717 62.300 -0.017 0.000 0.865 288 V CB 1.045 32.876 31.823 0.014 0.000 1.043 288 V HN 0.517 nan 8.190 nan 0.000 0.474 289 D N 1.966 122.357 120.400 -0.015 0.000 2.339 289 D HA -0.008 4.632 4.640 -0.000 0.000 0.217 289 D C 0.940 177.246 176.300 0.010 0.000 1.050 289 D CA 0.064 54.060 54.000 -0.007 0.000 0.856 289 D CB 0.024 40.815 40.800 -0.016 0.000 0.922 289 D HN 0.566 nan 8.370 nan 0.000 0.518 290 T N -1.469 113.095 114.554 0.018 0.000 2.922 290 T HA 0.458 4.808 4.350 -0.000 0.000 0.285 290 T C -2.268 172.460 174.700 0.048 0.000 1.005 290 T CA -1.755 60.361 62.100 0.027 0.000 1.061 290 T CB 1.617 70.499 68.868 0.023 0.000 1.007 290 T HN -0.116 nan 8.240 nan 0.000 0.502 291 P HA 0.308 nan 4.420 nan 0.000 0.277 291 P C -0.506 176.840 177.300 0.077 0.000 1.240 291 P CA -0.717 62.429 63.100 0.077 0.000 0.798 291 P CB 0.567 32.302 31.700 0.057 0.000 0.979 292 I N 3.058 123.692 120.570 0.108 0.000 2.379 292 I HA 0.026 4.196 4.170 -0.000 0.000 0.290 292 I C 1.294 177.401 176.117 -0.016 0.000 1.063 292 I CA 0.315 61.649 61.300 0.057 0.000 1.351 292 I CB 0.011 38.056 38.000 0.074 0.000 1.410 292 I HN 0.312 nan 8.210 nan 0.000 0.505 293 D N 5.112 125.521 120.400 0.015 0.000 2.249 293 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 293 D C -0.002 176.344 176.300 0.076 0.000 0.962 293 D CA 1.292 55.309 54.000 0.029 0.000 0.860 293 D CB 0.414 41.240 40.800 0.042 0.000 0.955 293 D HN 0.506 nan 8.370 nan 0.000 0.505 294 Y N 0.210 120.459 120.300 -0.084 0.000 2.482 294 Y HA 0.452 5.002 4.550 -0.000 0.000 0.334 294 Y C -2.077 173.769 175.900 -0.090 0.000 1.091 294 Y CA -1.177 56.865 58.100 -0.096 0.000 1.027 294 Y CB 1.301 39.706 38.460 -0.092 0.000 1.306 294 Y HN -0.230 nan 8.280 nan 0.000 0.446 295 L N 7.160 127.784 121.223 -0.997 0.000 2.372 295 L HA 0.501 4.841 4.340 -0.000 0.000 0.274 295 L C -1.243 175.008 176.870 -1.032 0.000 0.988 295 L CA -0.521 53.844 54.840 -0.791 0.000 0.833 295 L CB 0.988 42.793 42.059 -0.422 0.000 1.236 295 L HN 0.805 nan 8.230 nan 0.000 0.410 296 N N 3.654 121.890 118.700 -0.774 0.000 2.469 296 N HA 0.141 4.881 4.740 -0.000 0.000 0.239 296 N C -0.315 175.078 175.510 -0.195 0.000 1.053 296 N CA -0.186 52.648 53.050 -0.360 0.000 0.937 296 N CB 1.069 39.510 38.487 -0.076 0.000 1.163 296 N HN 0.743 nan 8.380 nan 0.000 0.509 297 S N 2.757 118.392 115.700 -0.109 0.000 2.617 297 S HA 0.013 4.483 4.470 -0.000 0.000 0.259 297 S C 1.222 175.759 174.600 -0.105 0.000 1.301 297 S CA -0.351 57.820 58.200 -0.048 0.000 0.984 297 S CB 1.430 64.697 63.200 0.111 0.000 0.954 297 S HN 0.637 nan 8.310 nan 0.000 0.572 298 Q N 1.557 121.280 119.800 -0.129 0.000 2.083 298 Q HA 0.143 4.483 4.340 -0.000 0.000 0.198 298 Q C 1.387 177.285 176.000 -0.170 0.000 0.969 298 Q CA 1.480 57.152 55.803 -0.218 0.000 0.838 298 Q CB -1.306 27.317 28.738 -0.191 0.000 0.900 298 Q HN 1.289 nan 8.270 nan 0.000 0.436 299 G N 1.001 109.755 108.800 -0.077 0.000 2.089 299 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.250 299 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.250 299 G C 0.572 175.336 174.900 -0.227 0.000 0.772 299 G CA 0.796 45.776 45.100 -0.201 0.000 1.141 299 G HN 0.605 nan 8.290 nan 0.000 0.356 300 T N -1.963 112.501 114.554 -0.151 0.000 3.118 300 T HA 0.290 4.640 4.350 -0.000 0.000 0.260 300 T C 1.463 176.173 174.700 0.017 0.000 1.139 300 T CA 1.161 63.193 62.100 -0.113 0.000 1.085 300 T CB 0.157 68.995 68.868 -0.051 0.000 0.934 300 T HN 1.892 nan 8.240 nan 0.000 0.518 301 S N 0.683 116.352 115.700 -0.051 0.000 3.672 301 S HA -0.140 4.330 4.470 -0.000 0.000 0.294 301 S C 0.210 174.857 174.600 0.078 0.000 1.200 301 S CA 0.638 58.825 58.200 -0.022 0.000 0.837 301 S CB -2.234 60.971 63.200 0.007 0.000 0.972 301 S HN 1.250 nan 8.310 nan 0.000 0.583 302 T N -0.941 113.675 114.554 0.104 0.000 2.859 302 T HA 0.662 5.012 4.350 -0.000 0.000 0.281 302 T C -1.418 173.349 174.700 0.112 0.000 1.005 302 T CA -1.614 60.576 62.100 0.150 0.000 1.025 302 T CB 1.634 70.634 68.868 0.220 0.000 0.977 302 T HN -0.054 nan 8.240 nan 0.000 0.458 303 P HA -0.154 nan 4.420 nan 0.000 0.214 303 P C 1.678 179.031 177.300 0.088 0.000 1.169 303 P CA 0.792 63.945 63.100 0.088 0.000 0.908 303 P CB -0.057 31.691 31.700 0.080 0.000 0.791 304 V N -0.576 119.394 119.914 0.093 0.000 2.407 304 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 304 V C 2.590 178.743 176.094 0.098 0.000 1.041 304 V CA 2.331 64.682 62.300 0.085 0.000 1.040 304 V CB -1.968 29.902 31.823 0.079 0.000 0.671 304 V HN 0.183 nan 8.190 nan 0.000 0.455 305 G N 0.193 109.067 108.800 0.123 0.000 2.446 305 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 305 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 305 G C 1.197 176.177 174.900 0.133 0.000 1.168 305 G CA 1.237 46.418 45.100 0.135 0.000 0.771 305 G HN 0.499 nan 8.290 nan 0.000 0.551 306 D N 0.079 120.551 120.400 0.121 0.000 2.149 306 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 306 D C 2.752 179.184 176.300 0.221 0.000 0.990 306 D CA 0.771 54.867 54.000 0.161 0.000 0.839 306 D CB -0.452 40.411 40.800 0.105 0.000 0.948 306 D HN 0.235 nan 8.370 nan 0.000 0.460 307 V N 1.131 121.135 119.914 0.151 0.000 2.270 307 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 307 V C 2.406 178.554 176.094 0.089 0.000 1.043 307 V CA 1.347 63.715 62.300 0.114 0.000 1.014 307 V CB -0.319 31.552 31.823 0.080 0.000 0.645 307 V HN 0.106 nan 8.190 nan 0.000 0.447 308 K N 0.140 120.584 120.400 0.073 0.000 2.063 308 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 308 K C 2.156 178.778 176.600 0.037 0.000 1.048 308 K CA 1.947 58.255 56.287 0.035 0.000 0.928 308 K CB -0.372 32.134 32.500 0.010 0.000 0.713 308 K HN 0.678 nan 8.250 nan 0.000 0.442 309 E N 0.724 120.979 120.200 0.093 0.000 2.106 309 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 309 E C 2.080 178.766 176.600 0.144 0.000 0.984 309 E CA 0.562 57.050 56.400 0.146 0.000 0.806 309 E CB 0.027 29.900 29.700 0.290 0.000 0.750 309 E HN 0.176 nan 8.360 nan 0.000 0.458 310 L N 0.290 121.594 121.223 0.135 0.000 2.141 310 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 310 L C 2.619 179.522 176.870 0.054 0.000 1.094 310 L CA 0.859 55.744 54.840 0.075 0.000 0.763 310 L CB -0.418 41.661 42.059 0.033 0.000 0.908 310 L HN 0.246 nan 8.230 nan 0.000 0.437 311 A N 0.111 122.961 122.820 0.050 0.000 1.898 311 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 311 A C 2.540 180.145 177.584 0.035 0.000 1.181 311 A CA 1.603 53.660 52.037 0.033 0.000 0.620 311 A CB -0.607 18.406 19.000 0.021 0.000 0.819 311 A HN 0.382 nan 8.150 nan 0.000 0.442 312 A N 0.057 122.898 122.820 0.035 0.000 1.902 312 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 312 A C 2.111 179.744 177.584 0.081 0.000 1.181 312 A CA 1.532 53.587 52.037 0.030 0.000 0.623 312 A CB -0.633 18.368 19.000 0.001 0.000 0.818 312 A HN 0.501 nan 8.150 nan 0.000 0.443 313 I N -0.781 119.869 120.570 0.133 0.000 2.226 313 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 313 I C 2.750 179.011 176.117 0.240 0.000 1.100 313 I CA 1.451 62.893 61.300 0.236 0.000 1.374 313 I CB -0.375 37.731 38.000 0.178 0.000 1.057 313 I HN 0.320 nan 8.210 nan 0.000 0.413 314 R N 0.405 120.980 120.500 0.125 0.000 2.096 314 R HA -0.210 4.130 4.340 -0.000 0.000 0.235 314 R C 2.209 178.556 176.300 0.079 0.000 1.127 314 R CA 1.449 57.607 56.100 0.097 0.000 0.968 314 R CB -0.324 30.005 30.300 0.048 0.000 0.861 314 R HN 0.260 nan 8.270 nan 0.000 0.440 315 E N 0.571 120.800 120.200 0.047 0.000 2.106 315 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 315 E C 1.813 178.398 176.600 -0.025 0.000 0.984 315 E CA 0.983 57.388 56.400 0.009 0.000 0.806 315 E CB 0.116 29.813 29.700 -0.005 0.000 0.750 315 E HN 0.053 nan 8.360 nan 0.000 0.458 316 V N -0.385 119.500 119.914 -0.048 0.000 2.323 316 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 316 V C 1.691 177.581 176.094 -0.341 0.000 1.041 316 V CA 1.736 63.894 62.300 -0.237 0.000 1.025 316 V CB -0.433 31.160 31.823 -0.384 0.000 0.656 316 V HN 0.262 nan 8.190 nan 0.000 0.451 317 F N -0.144 119.805 119.950 -0.001 0.000 2.656 317 F HA 0.447 4.973 4.527 -0.000 0.000 0.291 317 F C 1.986 177.784 175.800 -0.004 0.000 1.122 317 F CA 0.662 58.660 58.000 -0.003 0.000 1.427 317 F CB -0.641 38.355 39.000 -0.007 0.000 1.125 317 F HN 0.261 nan 8.300 nan 0.000 0.583 318 G N 1.810 110.702 108.800 0.154 0.000 2.698 318 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.337 318 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.337 318 G C 1.138 176.091 174.900 0.087 0.000 1.196 318 G CA 1.048 46.200 45.100 0.088 0.000 0.965 318 G HN 0.403 nan 8.290 nan 0.000 0.550 319 D N 0.891 121.334 120.400 0.071 0.000 2.323 319 D HA 0.022 4.662 4.640 -0.000 0.000 0.209 319 D C 1.654 177.993 176.300 0.064 0.000 0.973 319 D CA 1.019 55.051 54.000 0.053 0.000 0.874 319 D CB -0.098 40.724 40.800 0.038 0.000 0.930 319 D HN 0.531 nan 8.370 nan 0.000 0.521 320 K N 1.100 121.568 120.400 0.114 0.000 2.745 320 K HA 0.087 4.407 4.320 -0.000 0.000 0.223 320 K C 0.201 176.855 176.600 0.090 0.000 1.057 320 K CA -0.225 56.140 56.287 0.130 0.000 1.217 320 K CB 0.244 32.870 32.500 0.210 0.000 0.993 320 K HN -0.084 nan 8.250 nan 0.000 0.478 321 S N 3.252 118.966 115.700 0.024 0.000 2.571 321 S HA 0.053 4.523 4.470 -0.000 0.000 0.297 321 S C -1.731 172.742 174.600 -0.211 0.000 1.234 321 S CA -1.350 56.783 58.200 -0.110 0.000 1.120 321 S CB 0.181 63.346 63.200 -0.058 0.000 0.923 321 S HN 0.209 nan 8.310 nan 0.000 0.504 322 P HA 0.338 nan 4.420 nan 0.000 0.276 322 P C -0.667 176.510 177.300 -0.205 0.000 1.261 322 P CA -0.674 62.235 63.100 -0.319 0.000 0.800 322 P CB 0.573 31.972 31.700 -0.502 0.000 1.066 323 A N 1.044 123.809 122.820 -0.091 0.000 2.498 323 A HA 0.415 4.735 4.320 -0.000 0.000 0.239 323 A C 0.278 177.862 177.584 -0.001 0.000 1.068 323 A CA 0.102 52.139 52.037 0.001 0.000 0.766 323 A CB -0.711 18.345 19.000 0.092 0.000 1.003 323 A HN 0.479 nan 8.150 nan 0.000 0.497 324 I N 1.140 121.722 120.570 0.021 0.000 2.686 324 I HA 0.519 4.689 4.170 -0.000 0.000 0.295 324 I C -0.090 176.117 176.117 0.150 0.000 1.114 324 I CA -0.231 61.067 61.300 -0.004 0.000 1.038 324 I CB 2.620 40.561 38.000 -0.098 0.000 1.238 324 I HN 0.785 nan 8.210 nan 0.000 0.420 325 S N 3.682 119.525 115.700 0.238 0.000 2.537 325 S HA 0.849 5.319 4.470 -0.000 0.000 0.270 325 S C -1.109 173.627 174.600 0.226 0.000 1.142 325 S CA -0.768 57.594 58.200 0.269 0.000 0.870 325 S CB 2.036 65.401 63.200 0.275 0.000 1.112 325 S HN 0.805 nan 8.310 nan 0.000 0.466 326 A N 2.232 125.162 122.820 0.185 0.000 2.316 326 A HA 0.596 4.916 4.320 -0.000 0.000 0.324 326 A C 1.169 178.763 177.584 0.015 0.000 1.375 326 A CA -0.206 51.869 52.037 0.062 0.000 0.882 326 A CB -0.128 18.826 19.000 -0.077 0.000 1.152 326 A HN 1.357 nan 8.150 nan 0.000 0.512 327 T N 0.098 114.666 114.554 0.023 0.000 2.929 327 T HA -0.128 4.222 4.350 -0.000 0.000 0.271 327 T C 1.393 176.054 174.700 -0.065 0.000 1.085 327 T CA 1.364 63.440 62.100 -0.040 0.000 1.125 327 T CB -0.314 68.514 68.868 -0.065 0.000 0.874 327 T HN 0.628 nan 8.240 nan 0.000 0.494 328 K N 1.244 121.609 120.400 -0.059 0.000 2.280 328 K HA 0.108 4.428 4.320 -0.000 0.000 0.202 328 K C 2.626 179.195 176.600 -0.050 0.000 1.047 328 K CA 0.925 57.172 56.287 -0.067 0.000 0.942 328 K CB -0.395 32.023 32.500 -0.136 0.000 0.739 328 K HN 0.508 nan 8.250 nan 0.000 0.457 329 A N 1.710 124.493 122.820 -0.062 0.000 2.019 329 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 329 A C 2.067 179.628 177.584 -0.037 0.000 1.164 329 A CA 1.677 53.683 52.037 -0.051 0.000 0.644 329 A CB -0.426 18.544 19.000 -0.049 0.000 0.805 329 A HN 0.434 nan 8.150 nan 0.000 0.449 330 M N -2.466 117.105 119.600 -0.048 0.000 2.491 330 M HA 0.108 4.588 4.480 -0.000 0.000 0.259 330 M C 1.714 177.990 176.300 -0.041 0.000 1.163 330 M CA 1.427 56.700 55.300 -0.046 0.000 1.109 330 M CB -0.399 32.161 32.600 -0.066 0.000 1.353 330 M HN 0.246 nan 8.290 nan 0.000 0.500 331 T N -1.736 112.789 114.554 -0.049 0.000 3.044 331 T HA 0.534 4.884 4.350 -0.000 0.000 0.255 331 T C 1.129 175.849 174.700 0.033 0.000 1.073 331 T CA 0.590 62.680 62.100 -0.016 0.000 1.125 331 T CB -0.216 68.651 68.868 -0.002 0.000 0.908 331 T HN 0.795 nan 8.240 nan 0.000 0.480 332 G N 0.969 109.796 108.800 0.045 0.000 2.710 332 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.668 332 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.668 332 G C -1.003 173.962 174.900 0.108 0.000 1.320 332 G CA -0.396 44.766 45.100 0.103 0.000 0.860 332 G HN 0.787 nan 8.290 nan 0.000 0.538 333 H N 0.756 119.842 119.070 0.027 0.000 2.641 333 H HA 0.604 5.160 4.556 0.000 0.000 0.295 333 H C 1.585 176.845 175.328 -0.114 0.000 1.070 333 H CA -0.047 55.931 56.048 -0.118 0.000 1.257 333 H CB 0.789 30.326 29.762 -0.374 0.000 1.393 333 H HN 0.833 nan 8.280 nan 0.000 0.464 334 S N 4.960 120.771 115.700 0.184 0.000 2.710 334 S HA 0.113 4.583 4.470 -0.000 0.000 0.224 334 S C 1.350 175.926 174.600 -0.040 0.000 0.948 334 S CA -0.013 58.208 58.200 0.035 0.000 0.949 334 S CB -0.611 62.596 63.200 0.012 0.000 0.778 334 S HN 0.714 nan 8.310 nan 0.000 0.498 335 L N -0.078 121.033 121.223 -0.188 0.000 5.154 335 L HA -0.358 3.982 4.340 -0.000 0.000 0.053 335 L C 2.277 179.084 176.870 -0.105 0.000 3.137 335 L CA 1.483 56.102 54.840 -0.369 0.000 1.466 335 L CB -2.122 39.731 42.059 -0.342 0.000 2.980 335 L HN 0.432 nan 8.230 nan 0.000 0.938 336 G N -1.047 107.713 108.800 -0.067 0.000 2.462 336 G HA2 0.021 3.981 3.960 -0.000 0.000 0.220 336 G HA3 0.021 3.981 3.960 -0.000 0.000 0.220 336 G C 1.272 176.166 174.900 -0.010 0.000 1.121 336 G CA 1.356 46.447 45.100 -0.015 0.000 0.758 336 G HN 0.864 nan 8.290 nan 0.000 0.559 337 A N 0.260 123.072 122.820 -0.013 0.000 2.238 337 A HA 0.662 4.982 4.320 -0.000 0.000 0.210 337 A C 2.536 180.087 177.584 -0.055 0.000 1.179 337 A CA 1.258 53.279 52.037 -0.026 0.000 0.827 337 A CB -0.199 18.793 19.000 -0.013 0.000 0.856 337 A HN 0.531 nan 8.150 nan 0.000 0.488 338 A N 0.235 123.037 122.820 -0.030 0.000 1.883 338 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 338 A C 2.370 179.883 177.584 -0.119 0.000 1.186 338 A CA 1.987 53.995 52.037 -0.049 0.000 0.624 338 A CB -1.388 17.616 19.000 0.008 0.000 0.822 338 A HN 0.712 nan 8.150 nan 0.000 0.444 339 G N -0.797 107.935 108.800 -0.113 0.000 2.491 339 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 339 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 339 G C 1.676 176.478 174.900 -0.164 0.000 1.180 339 G CA 1.529 46.543 45.100 -0.144 0.000 0.774 339 G HN 0.712 nan 8.290 nan 0.000 0.562 340 V N 0.132 119.953 119.914 -0.154 0.000 2.453 340 V HA -0.104 4.016 4.120 -0.000 0.000 0.247 340 V C 2.712 178.645 176.094 -0.270 0.000 1.048 340 V CA 2.494 64.687 62.300 -0.178 0.000 1.049 340 V CB -0.242 31.499 31.823 -0.137 0.000 0.672 340 V HN 0.536 nan 8.190 nan 0.000 0.457 341 Q N -0.435 119.173 119.800 -0.321 0.000 2.079 341 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 341 Q C 2.165 177.575 176.000 -0.983 0.000 0.974 341 Q CA 2.046 57.490 55.803 -0.599 0.000 0.840 341 Q CB -0.120 28.339 28.738 -0.465 0.000 0.898 341 Q HN 0.704 nan 8.270 nan 0.000 0.430 342 E N 0.418 120.302 120.200 -0.527 0.000 2.208 342 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 342 E C 1.835 178.318 176.600 -0.196 0.000 0.988 342 E CA 0.767 57.001 56.400 -0.277 0.000 0.828 342 E CB 0.006 29.653 29.700 -0.088 0.000 0.763 342 E HN 0.339 nan 8.360 nan 0.000 0.478 343 A N 0.766 123.452 122.820 -0.223 0.000 1.930 343 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 343 A C 2.106 179.586 177.584 -0.173 0.000 1.175 343 A CA 0.840 52.782 52.037 -0.157 0.000 0.627 343 A CB -0.392 18.514 19.000 -0.156 0.000 0.815 343 A HN 0.149 nan 8.150 nan 0.000 0.443 344 I N -1.399 119.005 120.570 -0.277 0.000 2.252 344 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 344 I C 2.274 178.321 176.117 -0.116 0.000 1.102 344 I CA 1.233 62.381 61.300 -0.253 0.000 1.385 344 I CB -0.420 37.395 38.000 -0.308 0.000 1.064 344 I HN 0.383 nan 8.210 nan 0.000 0.414 345 Y N 0.685 120.958 120.300 -0.046 0.000 2.224 345 Y HA -0.192 4.358 4.550 -0.000 0.000 0.289 345 Y C 2.924 178.798 175.900 -0.042 0.000 1.146 345 Y CA 0.837 58.922 58.100 -0.025 0.000 1.182 345 Y CB -1.326 37.128 38.460 -0.010 0.000 0.983 345 Y HN 0.093 nan 8.280 nan 0.000 0.524 346 S N 0.004 115.778 115.700 0.123 0.000 2.383 346 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 346 S C 2.135 176.748 174.600 0.021 0.000 1.026 346 S CA 1.002 59.264 58.200 0.103 0.000 0.981 346 S CB -0.562 62.702 63.200 0.107 0.000 0.818 346 S HN 0.355 nan 8.310 nan 0.000 0.472 347 L N 0.926 122.139 121.223 -0.018 0.000 2.141 347 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 347 L C 2.138 179.023 176.870 0.025 0.000 1.094 347 L CA 0.874 55.694 54.840 -0.035 0.000 0.763 347 L CB -0.478 41.482 42.059 -0.164 0.000 0.908 347 L HN 0.293 nan 8.230 nan 0.000 0.437 348 L N -1.143 120.117 121.223 0.062 0.000 2.093 348 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 348 L C 2.620 179.607 176.870 0.195 0.000 1.085 348 L CA 1.208 56.191 54.840 0.239 0.000 0.755 348 L CB -0.314 41.913 42.059 0.280 0.000 0.904 348 L HN 0.294 nan 8.230 nan 0.000 0.435 349 M N -0.789 118.719 119.600 -0.154 0.000 2.117 349 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 349 M C 2.291 178.448 176.300 -0.238 0.000 1.065 349 M CA 1.605 56.538 55.300 -0.611 0.000 1.114 349 M CB -0.288 31.821 32.600 -0.818 0.000 1.361 349 M HN 0.217 nan 8.290 nan 0.000 0.408 350 L N 0.460 121.626 121.223 -0.094 0.000 2.056 350 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 350 L C 2.217 179.090 176.870 0.005 0.000 1.078 350 L CA 1.933 56.758 54.840 -0.025 0.000 0.749 350 L CB -0.507 41.559 42.059 0.011 0.000 0.901 350 L HN 0.199 nan 8.230 nan 0.000 0.433 351 E N -1.131 119.083 120.200 0.023 0.000 2.072 351 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 351 E C 1.799 178.259 176.600 -0.232 0.000 0.985 351 E CA 1.551 57.909 56.400 -0.070 0.000 0.801 351 E CB -0.138 29.546 29.700 -0.026 0.000 0.750 351 E HN 0.630 nan 8.360 nan 0.000 0.452 352 H N -1.145 118.037 119.070 0.186 0.000 2.551 352 H HA 0.281 4.837 4.556 0.000 0.000 0.271 352 H C 0.572 176.047 175.328 0.244 0.000 0.984 352 H CA 0.575 56.761 56.048 0.230 0.000 1.164 352 H CB 0.518 30.478 29.762 0.330 0.000 1.437 352 H HN 0.285 nan 8.280 nan 0.000 0.550 353 G N 1.924 110.848 108.800 0.206 0.000 2.351 353 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.297 353 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.297 353 G C -0.241 174.796 174.900 0.228 0.000 1.054 353 G CA 0.681 45.867 45.100 0.144 0.000 1.123 353 G HN 0.524 nan 8.290 nan 0.000 0.512 354 F N -1.805 118.133 119.950 -0.020 0.000 2.713 354 F HA 0.806 5.333 4.527 -0.000 0.000 0.311 354 F C -0.942 174.764 175.800 -0.157 0.000 1.141 354 F CA -2.237 55.725 58.000 -0.062 0.000 0.939 354 F CB 1.145 40.121 39.000 -0.039 0.000 1.325 354 F HN 0.065 nan 8.300 nan 0.000 0.453 355 I N 2.811 123.262 120.570 -0.199 0.000 2.389 355 I HA 0.615 4.785 4.170 -0.000 0.000 0.288 355 I C 0.115 176.146 176.117 -0.143 0.000 0.999 355 I CA -1.077 59.945 61.300 -0.464 0.000 1.129 355 I CB 1.663 39.471 38.000 -0.320 0.000 1.288 355 I HN 0.970 nan 8.210 nan 0.000 0.444 356 A N 9.278 131.947 122.820 -0.250 0.000 2.462 356 A HA 0.468 4.788 4.320 -0.000 0.000 0.243 356 A C -2.315 175.275 177.584 0.010 0.000 1.076 356 A CA -0.977 51.088 52.037 0.047 0.000 0.773 356 A CB -0.336 18.671 19.000 0.011 0.000 1.010 356 A HN 0.437 nan 8.150 nan 0.000 0.493 357 P HA 0.128 nan 4.420 nan 0.000 0.277 357 P C -0.355 176.974 177.300 0.047 0.000 1.240 357 P CA -0.234 62.891 63.100 0.041 0.000 0.798 357 P CB 1.179 32.898 31.700 0.031 0.000 0.979 358 S N 2.387 118.130 115.700 0.072 0.000 2.464 358 S HA 0.358 4.828 4.470 -0.000 0.000 0.313 358 S C 0.641 175.278 174.600 0.062 0.000 1.078 358 S CA -0.806 57.448 58.200 0.090 0.000 1.096 358 S CB -1.373 61.930 63.200 0.171 0.000 1.032 358 S HN 0.332 nan 8.310 nan 0.000 0.498 359 I N 1.944 122.530 120.570 0.027 0.000 3.156 359 I HA 0.456 4.626 4.170 -0.000 0.000 0.306 359 I C 0.554 176.673 176.117 0.004 0.000 1.048 359 I CA -0.473 60.834 61.300 0.012 0.000 1.207 359 I CB 0.217 38.214 38.000 -0.006 0.000 1.456 359 I HN 0.780 nan 8.210 nan 0.000 0.616 360 N N 0.352 119.049 118.700 -0.004 0.000 2.800 360 N HA -0.163 4.577 4.740 -0.000 0.000 0.250 360 N C -0.569 174.943 175.510 0.003 0.000 1.078 360 N CA 0.459 53.497 53.050 -0.021 0.000 0.804 360 N CB -1.233 37.217 38.487 -0.062 0.000 1.135 360 N HN 0.506 nan 8.380 nan 0.000 0.565 361 I N 1.372 121.962 120.570 0.034 0.000 2.241 361 I HA 0.038 4.208 4.170 -0.000 0.000 0.294 361 I C 1.234 177.385 176.117 0.058 0.000 1.145 361 I CA 0.147 61.484 61.300 0.061 0.000 1.261 361 I CB 0.474 38.527 38.000 0.089 0.000 1.475 361 I HN 0.169 nan 8.210 nan 0.000 0.533 362 E N 3.662 123.901 120.200 0.065 0.000 2.170 362 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 362 E C 0.556 177.209 176.600 0.088 0.000 0.981 362 E CA 0.637 57.079 56.400 0.070 0.000 0.830 362 E CB 0.438 30.181 29.700 0.073 0.000 0.775 362 E HN 0.526 nan 8.360 nan 0.000 0.470 363 E N 1.083 121.349 120.200 0.111 0.000 2.432 363 E HA 0.134 4.484 4.350 -0.000 0.000 0.272 363 E C -1.404 175.240 176.600 0.073 0.000 0.937 363 E CA -0.570 55.889 56.400 0.099 0.000 0.812 363 E CB 0.906 30.692 29.700 0.145 0.000 1.377 363 E HN -0.069 nan 8.360 nan 0.000 0.399 364 L N 3.948 125.206 121.223 0.059 0.000 2.540 364 L HA 0.100 4.440 4.340 -0.000 0.000 0.276 364 L C -0.012 176.881 176.870 0.039 0.000 1.212 364 L CA 0.702 55.575 54.840 0.055 0.000 0.893 364 L CB 0.576 42.654 42.059 0.032 0.000 1.138 364 L HN 0.586 nan 8.230 nan 0.000 0.491 365 D N 2.691 123.123 120.400 0.054 0.000 2.472 365 D HA -0.081 4.559 4.640 -0.000 0.000 0.237 365 D C 1.121 177.432 176.300 0.019 0.000 1.141 365 D CA 0.633 54.655 54.000 0.036 0.000 0.875 365 D CB 0.741 41.586 40.800 0.074 0.000 1.192 365 D HN 0.730 nan 8.370 nan 0.000 0.450 366 E N 1.694 121.900 120.200 0.009 0.000 2.160 366 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 366 E C 0.985 177.588 176.600 0.004 0.000 0.991 366 E CA 0.988 57.392 56.400 0.005 0.000 0.810 366 E CB 0.155 29.857 29.700 0.004 0.000 0.742 366 E HN 0.624 nan 8.360 nan 0.000 0.466 367 Q N -0.935 118.871 119.800 0.011 0.000 2.466 367 Q HA 0.047 4.387 4.340 -0.000 0.000 0.210 367 Q C 0.810 176.806 176.000 -0.006 0.000 0.961 367 Q CA 0.488 56.297 55.803 0.010 0.000 0.953 367 Q CB 0.630 29.383 28.738 0.025 0.000 1.011 367 Q HN 0.211 nan 8.270 nan 0.000 0.516 368 A N -0.183 122.624 122.820 -0.022 0.000 2.538 368 A HA 0.511 4.831 4.320 -0.000 0.000 0.269 368 A C 1.665 179.210 177.584 -0.065 0.000 1.231 368 A CA 0.465 52.457 52.037 -0.074 0.000 0.948 368 A CB 0.134 19.059 19.000 -0.126 0.000 1.110 368 A HN 0.283 nan 8.150 nan 0.000 0.529 369 A N 0.644 123.444 122.820 -0.033 0.000 1.862 369 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 369 A C 1.859 179.424 177.584 -0.031 0.000 1.251 369 A CA 1.668 53.691 52.037 -0.025 0.000 0.673 369 A CB -1.438 17.555 19.000 -0.012 0.000 0.843 369 A HN 1.147 nan 8.150 nan 0.000 0.458 370 G N -0.229 108.555 108.800 -0.026 0.000 3.008 370 G HA2 0.458 4.418 3.960 -0.000 0.000 0.272 370 G HA3 0.458 4.418 3.960 -0.000 0.000 0.272 370 G C -0.391 174.486 174.900 -0.038 0.000 0.764 370 G CA -0.085 45.001 45.100 -0.025 0.000 2.029 370 G HN 0.336 nan 8.290 nan 0.000 0.587 371 L N 0.147 121.337 121.223 -0.056 0.000 2.469 371 L HA 0.357 4.697 4.340 -0.000 0.000 0.256 371 L C -0.672 176.151 176.870 -0.078 0.000 1.006 371 L CA -1.259 53.533 54.840 -0.080 0.000 0.832 371 L CB 2.447 44.431 42.059 -0.126 0.000 1.421 371 L HN 0.156 nan 8.230 nan 0.000 0.410 372 N N 2.122 120.772 118.700 -0.084 0.000 3.234 372 N HA 0.260 5.000 4.740 -0.000 0.000 0.272 372 N C -0.949 174.524 175.510 -0.060 0.000 1.254 372 N CA -0.329 52.684 53.050 -0.062 0.000 1.087 372 N CB 0.101 38.556 38.487 -0.052 0.000 1.356 372 N HN 0.323 nan 8.380 nan 0.000 0.511 373 I N 2.468 122.995 120.570 -0.073 0.000 2.363 373 I HA 0.120 4.290 4.170 -0.000 0.000 0.292 373 I C 0.172 176.292 176.117 0.006 0.000 1.075 373 I CA -0.571 60.696 61.300 -0.056 0.000 1.333 373 I CB 0.491 38.425 38.000 -0.111 0.000 1.415 373 I HN 0.014 nan 8.210 nan 0.000 0.502 374 V N 7.199 127.139 119.914 0.042 0.000 2.470 374 V HA 0.104 4.224 4.120 -0.000 0.000 0.276 374 V C 1.346 177.473 176.094 0.054 0.000 1.040 374 V CA 0.034 62.362 62.300 0.046 0.000 1.008 374 V CB 0.779 32.634 31.823 0.053 0.000 0.990 374 V HN 0.904 nan 8.190 nan 0.000 0.477 375 T N 0.518 115.096 114.554 0.040 0.000 3.085 375 T HA 0.304 4.654 4.350 -0.000 0.000 0.264 375 T C 0.128 174.847 174.700 0.030 0.000 1.019 375 T CA -0.234 61.891 62.100 0.042 0.000 0.910 375 T CB -0.195 68.697 68.868 0.039 0.000 1.059 375 T HN 0.829 nan 8.240 nan 0.000 0.542 376 E N 0.216 120.433 120.200 0.028 0.000 2.321 376 E HA 0.399 4.749 4.350 -0.000 0.000 0.278 376 E C -1.428 175.189 176.600 0.029 0.000 0.902 376 E CA -1.047 55.366 56.400 0.021 0.000 0.758 376 E CB 0.908 30.617 29.700 0.015 0.000 1.213 376 E HN -0.085 nan 8.360 nan 0.000 0.426 377 T N 2.644 117.216 114.554 0.030 0.000 2.866 377 T HA 0.093 4.443 4.350 -0.000 0.000 0.293 377 T C -0.386 174.346 174.700 0.053 0.000 1.005 377 T CA 0.508 62.642 62.100 0.057 0.000 1.162 377 T CB 0.134 69.011 68.868 0.015 0.000 0.968 377 T HN 0.458 nan 8.240 nan 0.000 0.530 378 T N 4.172 118.776 114.554 0.082 0.000 2.840 378 T HA 0.244 4.594 4.350 -0.000 0.000 0.287 378 T C -0.440 174.315 174.700 0.092 0.000 0.991 378 T CA -0.933 61.202 62.100 0.059 0.000 0.964 378 T CB 1.217 70.103 68.868 0.031 0.000 0.954 378 T HN 0.455 nan 8.240 nan 0.000 0.438 379 D N 2.670 123.117 120.400 0.077 0.000 2.350 379 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 379 D C 0.397 176.735 176.300 0.063 0.000 1.119 379 D CA 0.109 54.167 54.000 0.096 0.000 0.886 379 D CB 1.164 42.001 40.800 0.062 0.000 1.195 379 D HN 0.449 nan 8.370 nan 0.000 0.437 380 R N 0.971 121.509 120.500 0.064 0.000 2.725 380 R HA 0.059 4.399 4.340 -0.000 0.000 0.254 380 R C -1.481 174.836 176.300 0.028 0.000 1.076 380 R CA -0.584 55.536 56.100 0.033 0.000 0.940 380 R CB 0.992 31.300 30.300 0.013 0.000 1.260 380 R HN 0.054 nan 8.270 nan 0.000 0.466 381 E N 4.757 124.971 120.200 0.023 0.000 1.944 381 E HA 0.148 4.498 4.350 -0.000 0.000 0.272 381 E C -0.298 176.309 176.600 0.012 0.000 1.195 381 E CA 0.003 56.415 56.400 0.020 0.000 0.926 381 E CB 0.264 29.975 29.700 0.018 0.000 1.051 381 E HN 0.381 nan 8.360 nan 0.000 0.404 382 L N 1.362 122.588 121.223 0.005 0.000 2.399 382 L HA 0.266 4.606 4.340 -0.000 0.000 0.266 382 L C 1.403 178.281 176.870 0.012 0.000 1.114 382 L CA -0.177 54.666 54.840 0.007 0.000 0.804 382 L CB 0.860 42.912 42.059 -0.010 0.000 1.146 382 L HN 0.335 nan 8.230 nan 0.000 0.451 383 T N -1.473 113.092 114.554 0.019 0.000 3.115 383 T HA 0.088 4.438 4.350 -0.000 0.000 0.256 383 T C 0.218 174.932 174.700 0.023 0.000 0.970 383 T CA 0.246 62.356 62.100 0.017 0.000 1.010 383 T CB 0.715 69.591 68.868 0.015 0.000 1.151 383 T HN 0.609 nan 8.240 nan 0.000 0.479 384 T N 2.911 117.484 114.554 0.032 0.000 2.841 384 T HA 0.689 5.039 4.350 -0.000 0.000 0.285 384 T C -0.771 173.958 174.700 0.048 0.000 0.991 384 T CA -0.692 61.430 62.100 0.037 0.000 0.966 384 T CB 2.054 70.946 68.868 0.040 0.000 0.962 384 T HN 0.228 nan 8.240 nan 0.000 0.438 385 V N 1.050 120.992 119.914 0.047 0.000 2.914 385 V HA 0.868 4.988 4.120 -0.000 0.000 0.314 385 V C -0.683 175.417 176.094 0.010 0.000 1.084 385 V CA -1.224 61.105 62.300 0.049 0.000 0.963 385 V CB 2.175 34.066 31.823 0.113 0.000 1.025 385 V HN 0.979 nan 8.190 nan 0.000 0.432 386 M N 2.944 122.513 119.600 -0.052 0.000 2.464 386 M HA 0.761 5.241 4.480 -0.000 0.000 0.308 386 M C -1.018 175.209 176.300 -0.121 0.000 1.127 386 M CA -0.284 54.988 55.300 -0.047 0.000 0.913 386 M CB 2.206 34.814 32.600 0.014 0.000 1.689 386 M HN 1.009 nan 8.290 nan 0.000 0.445 387 S N 3.262 118.908 115.700 -0.091 0.000 2.614 387 S HA 0.589 5.059 4.470 -0.000 0.000 0.288 387 S C -1.525 172.982 174.600 -0.155 0.000 1.137 387 S CA -0.784 57.338 58.200 -0.131 0.000 0.992 387 S CB 1.053 64.189 63.200 -0.106 0.000 1.026 387 S HN 0.850 nan 8.310 nan 0.000 0.486 388 N N 2.093 120.652 118.700 -0.234 0.000 2.456 388 N HA 0.593 5.333 4.740 -0.000 0.000 0.296 388 N C -1.279 173.841 175.510 -0.650 0.000 1.102 388 N CA -0.438 52.360 53.050 -0.421 0.000 0.924 388 N CB 1.894 40.100 38.487 -0.468 0.000 1.186 388 N HN 0.504 nan 8.380 nan 0.000 0.492 389 S N 1.179 116.399 115.700 -0.800 0.000 2.619 389 S HA 0.637 5.107 4.470 -0.000 0.000 0.280 389 S C -1.328 172.904 174.600 -0.613 0.000 1.150 389 S CA -0.609 57.208 58.200 -0.638 0.000 0.978 389 S CB 0.600 63.601 63.200 -0.331 0.000 1.041 389 S HN 0.299 nan 8.310 nan 0.000 0.485 390 F N 0.875 120.815 119.950 -0.017 0.000 2.563 390 F HA 0.868 5.395 4.527 -0.000 0.000 0.316 390 F C 0.685 176.514 175.800 0.048 0.000 1.076 390 F CA -0.893 57.125 58.000 0.030 0.000 0.921 390 F CB 1.953 40.982 39.000 0.048 0.000 1.209 390 F HN 0.700 nan 8.300 nan 0.000 0.462 391 G N 0.628 109.598 108.800 0.284 0.000 2.680 391 G HA2 0.611 4.571 3.960 -0.000 0.000 0.290 391 G HA3 0.611 4.571 3.960 -0.000 0.000 0.290 391 G C -1.481 173.612 174.900 0.322 0.000 1.355 391 G CA -0.721 44.490 45.100 0.186 0.000 0.903 391 G HN 0.203 nan 8.290 nan 0.000 0.474 392 F N 0.217 120.257 119.950 0.150 0.000 2.586 392 F HA 0.403 4.930 4.527 -0.000 0.000 0.344 392 F C 1.742 177.605 175.800 0.104 0.000 1.188 392 F CA 0.850 58.926 58.000 0.127 0.000 1.359 392 F CB 0.670 39.747 39.000 0.128 0.000 1.129 392 F HN 1.118 nan 8.300 nan 0.000 0.609 393 G N 0.255 109.213 108.800 0.264 0.000 2.157 393 G HA2 0.019 3.979 3.960 -0.000 0.000 0.248 393 G HA3 0.019 3.979 3.960 -0.000 0.000 0.248 393 G C 0.878 175.856 174.900 0.129 0.000 0.979 393 G CA 0.384 45.578 45.100 0.156 0.000 0.650 393 G HN 1.911 nan 8.290 nan 0.000 0.529 394 G N -1.067 107.823 108.800 0.151 0.000 2.246 394 G HA2 0.088 4.048 3.960 -0.000 0.000 0.273 394 G HA3 0.088 4.048 3.960 -0.000 0.000 0.273 394 G C 0.349 175.326 174.900 0.128 0.000 1.055 394 G CA 1.370 46.537 45.100 0.112 0.000 0.851 394 G HN 1.985 nan 8.290 nan 0.000 0.500 395 T N 0.335 115.002 114.554 0.188 0.000 2.799 395 T HA 0.576 4.926 4.350 -0.000 0.000 0.286 395 T C 0.036 174.918 174.700 0.304 0.000 0.973 395 T CA -0.577 61.662 62.100 0.232 0.000 1.035 395 T CB 0.365 69.388 68.868 0.260 0.000 0.932 395 T HN 0.325 nan 8.240 nan 0.000 0.469 396 N N 2.835 121.722 118.700 0.311 0.000 2.269 396 N HA 0.706 5.446 4.740 -0.000 0.000 0.304 396 N C -1.302 174.351 175.510 0.237 0.000 1.072 396 N CA -0.627 52.643 53.050 0.367 0.000 0.802 396 N CB 2.143 40.810 38.487 0.301 0.000 1.348 396 N HN 0.759 nan 8.380 nan 0.000 0.484 397 A N 0.761 123.623 122.820 0.071 0.000 2.455 397 A HA 0.767 5.087 4.320 -0.000 0.000 0.300 397 A C -0.885 176.668 177.584 -0.051 0.000 1.040 397 A CA -0.486 51.495 52.037 -0.093 0.000 0.697 397 A CB 1.463 20.163 19.000 -0.500 0.000 1.265 397 A HN 0.448 nan 8.150 nan 0.000 0.407 398 T N 2.172 116.742 114.554 0.028 0.000 2.921 398 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 398 T C -0.960 173.797 174.700 0.094 0.000 1.013 398 T CA -0.251 61.865 62.100 0.026 0.000 0.990 398 T CB 0.926 69.828 68.868 0.056 0.000 1.023 398 T HN 0.512 nan 8.240 nan 0.000 0.447 399 L N 2.656 123.906 121.223 0.045 0.000 2.365 399 L HA 0.803 5.143 4.340 -0.000 0.000 0.273 399 L C -0.840 176.051 176.870 0.035 0.000 1.000 399 L CA -1.151 53.726 54.840 0.062 0.000 0.819 399 L CB 2.097 44.157 42.059 0.001 0.000 1.284 399 L HN 0.330 nan 8.230 nan 0.000 0.418 400 V N 3.716 123.660 119.914 0.051 0.000 2.487 400 V HA 0.526 4.646 4.120 -0.000 0.000 0.298 400 V C -0.192 175.919 176.094 0.028 0.000 1.028 400 V CA -0.360 61.964 62.300 0.040 0.000 0.860 400 V CB 1.880 33.737 31.823 0.057 0.000 0.991 400 V HN 0.711 nan 8.190 nan 0.000 0.427 401 M N 4.928 124.539 119.600 0.019 0.000 2.465 401 M HA 0.679 5.159 4.480 -0.000 0.000 0.316 401 M C -0.532 175.779 176.300 0.018 0.000 1.121 401 M CA -0.394 54.913 55.300 0.012 0.000 0.934 401 M CB 2.512 35.113 32.600 0.001 0.000 1.692 401 M HN 0.557 nan 8.290 nan 0.000 0.444 402 R N 1.490 121.998 120.500 0.013 0.000 2.621 402 R HA 0.453 4.793 4.340 -0.000 0.000 0.284 402 R C -1.135 175.167 176.300 0.003 0.000 0.998 402 R CA -0.761 55.346 56.100 0.012 0.000 0.895 402 R CB 1.916 32.223 30.300 0.012 0.000 1.195 402 R HN 0.665 nan 8.270 nan 0.000 0.450 403 K N 2.632 123.034 120.400 0.003 0.000 2.440 403 K HA 0.109 4.429 4.320 -0.000 0.000 0.270 403 K C -0.307 176.284 176.600 -0.016 0.000 0.980 403 K CA -0.094 56.188 56.287 -0.008 0.000 0.953 403 K CB 0.470 32.967 32.500 -0.006 0.000 0.925 403 K HN 0.270 nan 8.250 nan 0.000 0.497 404 L N 2.747 123.952 121.223 -0.030 0.000 2.334 404 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 404 L C 1.018 177.871 176.870 -0.029 0.000 1.020 404 L CA -0.231 54.590 54.840 -0.031 0.000 0.812 404 L CB 1.509 43.542 42.059 -0.044 0.000 1.264 404 L HN 0.562 nan 8.230 nan 0.000 0.439 405 K N 1.371 121.758 120.400 -0.022 0.000 2.001 405 K HA 0.158 4.478 4.320 -0.000 0.000 0.208 405 K C 0.627 177.215 176.600 -0.021 0.000 1.048 405 K CA 1.390 57.667 56.287 -0.018 0.000 0.932 405 K CB -0.341 32.151 32.500 -0.014 0.000 0.715 405 K HN 0.789 nan 8.250 nan 0.000 0.437 406 D N 0.000 120.386 120.400 -0.024 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683