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 2iwy_1_A DATA FIRST_RESID -4 DATA SEQUENCE IEGRXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXSRLHRRVV DATA SEQUENCE ITGIGLVTPL GVGTHLVWDR LIGGESGIVS LVGEEYKSIP CSVAAYVPRG DATA SEQUENCE SDEGQFNEQN FVSKSDIKSM SSPTIMAIGA AELAMKDSGW HPQSEADQVA DATA SEQUENCE TGVAIGMGMI PLEVVSETAL NFQTKGYNKV SPFFVPKILV NMAAGQVSIR DATA SEQUENCE YKLKGPNHAV STACTTGAHA VGDSFRFIAH GDADVMVAGG TDSCISPLSL DATA SEQUENCE AGFSRARALS TNSDPKLACR PFHPKRDGFV MGEGAAVLVL EEYEHAVQRR DATA SEQUENCE ARIYAEVLGY GLSGDAGHIX XXDPEGEGAL RCMAAALKDA GVQPEEISYI DATA SEQUENCE NAHATSTPLG DAAENKAIKH LFKDHAYALA VSSTKGATGH LLGAAGAVEA DATA SEQUENCE AFTTLACYYQ KLPPTLNLDC SEPEFDLNYV PLKAQEWXXX KRFIGLTNSF DATA SEQUENCE GFGGTNATLC IAGL 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 -4 I HA 0.000 nan 4.170 nan 0.000 0.288 -4 I C 0.000 176.117 176.117 -0.000 0.000 1.063 -4 I CA 0.000 61.300 61.300 0.001 0.000 1.566 -4 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 -3 E N 1.913 122.112 120.200 -0.001 0.000 2.442 -3 E HA 0.477 4.824 4.350 -0.006 0.000 0.195 -3 E C 0.672 177.271 176.600 -0.001 0.000 1.030 -3 E CA 1.038 57.436 56.400 -0.003 0.000 0.869 -3 E CB 0.559 30.256 29.700 -0.004 0.000 0.857 -3 E HN 0.656 nan 8.360 nan 0.000 0.505 -2 G N -0.405 108.395 108.800 0.001 0.000 2.371 -2 G HA2 -0.008 3.949 3.960 -0.006 0.000 0.663 -2 G HA3 -0.008 3.949 3.960 -0.006 0.000 0.663 -2 G C -1.078 173.823 174.900 0.003 0.000 1.311 -2 G CA -0.795 44.307 45.100 0.003 0.000 0.985 -2 G HN 0.058 nan 8.290 nan 0.000 0.566 39 R N 0.801 121.299 120.500 -0.004 0.000 2.795 39 R HA 0.551 4.887 4.340 -0.006 0.000 0.275 39 R C -1.080 175.221 176.300 0.001 0.000 0.981 39 R CA -1.099 54.991 56.100 -0.017 0.000 0.917 39 R CB 1.567 31.839 30.300 -0.047 0.000 1.202 39 R HN 0.673 nan 8.270 nan 0.000 0.469 40 L N 2.351 123.567 121.223 -0.011 0.000 2.601 40 L HA -0.002 4.334 4.340 -0.006 0.000 0.277 40 L C -0.564 176.326 176.870 0.033 0.000 1.219 40 L CA 0.853 55.697 54.840 0.008 0.000 0.915 40 L CB -0.304 41.747 42.059 -0.015 0.000 1.160 40 L HN 0.526 nan 8.230 nan 0.000 0.494 41 H N 4.674 123.721 119.070 -0.038 0.000 2.708 41 H HA 0.528 5.081 4.556 -0.006 0.000 0.320 41 H C -0.580 174.738 175.328 -0.016 0.000 0.991 41 H CA -0.616 55.410 56.048 -0.036 0.000 1.243 41 H CB 0.560 30.308 29.762 -0.023 0.000 1.446 41 H HN 0.715 nan 8.280 nan 0.000 0.502 42 R N 3.540 123.890 120.500 -0.251 0.000 2.528 42 R HA 0.430 4.766 4.340 -0.006 0.000 0.271 42 R C -0.041 176.201 176.300 -0.097 0.000 1.056 42 R CA -0.914 55.115 56.100 -0.118 0.000 1.117 42 R CB 1.294 31.543 30.300 -0.084 0.000 1.085 42 R HN 0.563 nan 8.270 nan 0.000 0.530 43 R N 0.539 121.048 120.500 0.015 0.000 2.490 43 R HA 0.351 4.687 4.340 -0.006 0.000 0.278 43 R C -0.641 175.739 176.300 0.133 0.000 1.069 43 R CA -0.433 55.711 56.100 0.074 0.000 1.080 43 R CB 1.048 31.337 30.300 -0.017 0.000 1.030 43 R HN 0.239 nan 8.270 nan 0.000 0.491 44 V N 3.161 123.189 119.914 0.190 0.000 2.638 44 V HA 0.412 4.528 4.120 -0.006 0.000 0.306 44 V C -0.197 175.982 176.094 0.142 0.000 1.052 44 V CA -0.804 61.607 62.300 0.185 0.000 0.885 44 V CB 1.749 33.773 31.823 0.334 0.000 0.999 44 V HN 0.634 nan 8.190 nan 0.000 0.424 45 V N 2.261 122.235 119.914 0.101 0.000 3.113 45 V HA 0.729 4.845 4.120 -0.006 0.000 0.316 45 V C -0.626 175.478 176.094 0.017 0.000 1.125 45 V CA -1.012 61.331 62.300 0.071 0.000 1.026 45 V CB 2.345 34.229 31.823 0.101 0.000 1.080 45 V HN 0.662 nan 8.190 nan 0.000 0.444 46 I N 1.920 122.499 120.570 0.016 0.000 2.362 46 I HA 0.501 4.667 4.170 -0.006 0.000 0.289 46 I C 0.916 177.050 176.117 0.029 0.000 0.994 46 I CA 0.015 61.326 61.300 0.018 0.000 1.158 46 I CB 2.089 40.104 38.000 0.025 0.000 1.315 46 I HN 0.977 nan 8.210 nan 0.000 0.451 47 T N 0.447 114.993 114.554 -0.014 0.000 3.043 47 T HA 0.394 4.740 4.350 -0.006 0.000 0.272 47 T C 0.427 175.097 174.700 -0.050 0.000 0.990 47 T CA -0.276 61.758 62.100 -0.110 0.000 0.897 47 T CB 0.564 69.348 68.868 -0.140 0.000 1.111 47 T HN 0.699 nan 8.240 nan 0.000 0.529 48 G N 0.654 109.512 108.800 0.096 0.000 2.759 48 G HA2 0.650 4.606 3.960 -0.006 0.000 0.297 48 G HA3 0.650 4.606 3.960 -0.006 0.000 0.297 48 G C -1.860 173.091 174.900 0.086 0.000 1.434 48 G CA -0.833 44.347 45.100 0.133 0.000 0.980 48 G HN 0.350 nan 8.290 nan 0.000 0.531 49 I N 0.809 121.407 120.570 0.047 0.000 2.569 49 I HA 0.620 4.786 4.170 -0.006 0.000 0.290 49 I C 0.266 176.339 176.117 -0.074 0.000 1.088 49 I CA -0.788 60.459 61.300 -0.088 0.000 1.047 49 I CB 2.755 40.606 38.000 -0.248 0.000 1.237 49 I HN 0.667 nan 8.210 nan 0.000 0.421 50 G N 6.869 115.622 108.800 -0.079 0.000 2.609 50 G HA2 0.781 4.737 3.960 -0.006 0.000 0.308 50 G HA3 0.781 4.737 3.960 -0.006 0.000 0.308 50 G C -1.263 173.583 174.900 -0.089 0.000 1.369 50 G CA -0.395 44.665 45.100 -0.066 0.000 0.958 50 G HN 0.405 nan 8.290 nan 0.000 0.499 51 L N 2.170 123.353 121.223 -0.067 0.000 2.381 51 L HA 0.521 4.858 4.340 -0.006 0.000 0.274 51 L C -0.685 176.139 176.870 -0.076 0.000 0.988 51 L CA -1.106 53.688 54.840 -0.075 0.000 0.824 51 L CB 2.641 44.685 42.059 -0.024 0.000 1.263 51 L HN 0.222 nan 8.230 nan 0.000 0.410 52 V N 1.880 121.705 119.914 -0.148 0.000 2.305 52 V HA 0.531 4.647 4.120 -0.006 0.000 0.275 52 V C 0.041 176.030 176.094 -0.176 0.000 1.020 52 V CA -0.303 61.860 62.300 -0.229 0.000 0.811 52 V CB 1.405 32.924 31.823 -0.506 0.000 1.031 52 V HN 0.915 nan 8.190 nan 0.000 0.439 53 T N 2.061 116.568 114.554 -0.078 0.000 2.865 53 T HA 0.544 4.890 4.350 -0.006 0.000 0.294 53 T C -2.534 172.175 174.700 0.015 0.000 1.119 53 T CA -2.059 60.025 62.100 -0.027 0.000 1.007 53 T CB 2.574 71.460 68.868 0.029 0.000 1.225 53 T HN 0.186 nan 8.240 nan 0.000 0.515 54 P HA 0.125 nan 4.420 nan 0.000 0.225 54 P C 1.289 178.623 177.300 0.056 0.000 1.148 54 P CA 0.596 63.725 63.100 0.048 0.000 0.779 54 P CB -0.024 31.692 31.700 0.026 0.000 0.780 55 L N -2.680 118.582 121.223 0.065 0.000 2.554 55 L HA 0.225 4.561 4.340 -0.006 0.000 0.226 55 L C 1.243 178.155 176.870 0.069 0.000 1.137 55 L CA 0.389 55.266 54.840 0.062 0.000 0.863 55 L CB -0.632 41.472 42.059 0.075 0.000 0.985 55 L HN 0.125 nan 8.230 nan 0.000 0.451 56 G N -0.797 108.049 108.800 0.076 0.000 2.331 56 G HA2 -0.028 3.928 3.960 -0.006 0.000 0.479 56 G HA3 -0.028 3.928 3.960 -0.006 0.000 0.479 56 G C -1.415 173.539 174.900 0.090 0.000 1.262 56 G CA -0.728 44.425 45.100 0.089 0.000 1.029 56 G HN -0.250 nan 8.290 nan 0.000 0.487 57 V N 0.763 120.748 119.914 0.119 0.000 2.604 57 V HA 0.889 5.005 4.120 -0.006 0.000 0.305 57 V C 0.796 176.971 176.094 0.135 0.000 1.043 57 V CA 0.834 63.213 62.300 0.132 0.000 0.888 57 V CB 0.888 32.852 31.823 0.235 0.000 0.995 57 V HN 2.798 nan 8.190 nan 0.000 0.429 58 G N 3.105 111.971 108.800 0.110 0.000 3.233 58 G HA2 -0.069 3.887 3.960 -0.006 0.000 0.686 58 G HA3 -0.069 3.887 3.960 -0.006 0.000 0.686 58 G C 0.142 175.085 174.900 0.071 0.000 1.153 58 G CA -0.255 44.908 45.100 0.105 0.000 0.853 58 G HN 0.793 nan 8.290 nan 0.000 0.582 59 T N 2.248 116.799 114.554 -0.004 0.000 2.516 59 T HA -0.209 4.138 4.350 -0.006 0.000 0.261 59 T C 1.897 176.545 174.700 -0.087 0.000 1.130 59 T CA 2.073 64.082 62.100 -0.152 0.000 1.193 59 T CB -0.300 68.298 68.868 -0.450 0.000 0.864 59 T HN 0.721 nan 8.240 nan 0.000 0.410 60 H N 0.630 119.819 119.070 0.197 0.000 2.470 60 H HA 0.216 4.768 4.556 -0.007 0.000 0.289 60 H C 2.377 177.830 175.328 0.209 0.000 1.033 60 H CA 0.559 56.752 56.048 0.242 0.000 1.331 60 H CB -0.540 29.364 29.762 0.237 0.000 1.414 60 H HN 0.220 nan 8.280 nan 0.000 0.545 61 L N 0.629 121.993 121.223 0.234 0.000 2.012 61 L HA -0.175 4.162 4.340 -0.006 0.000 0.210 61 L C 2.282 179.235 176.870 0.137 0.000 1.073 61 L CA 1.010 55.946 54.840 0.160 0.000 0.748 61 L CB -0.341 41.797 42.059 0.132 0.000 0.891 61 L HN -0.040 nan 8.230 nan 0.000 0.431 62 V N -0.713 119.294 119.914 0.155 0.000 2.343 62 V HA -0.336 3.780 4.120 -0.006 0.000 0.247 62 V C 2.118 178.302 176.094 0.149 0.000 1.051 62 V CA 2.297 64.691 62.300 0.157 0.000 1.036 62 V CB -0.972 30.975 31.823 0.208 0.000 0.654 62 V HN 0.739 nan 8.190 nan 0.000 0.451 63 W N 1.205 122.516 121.300 0.017 0.000 2.338 63 W HA -0.207 4.449 4.660 -0.007 0.000 0.304 63 W C 2.074 178.530 176.519 -0.106 0.000 1.212 63 W CA 2.027 59.337 57.345 -0.058 0.000 1.264 63 W CB -0.188 29.291 29.460 0.032 0.000 1.142 63 W HN 0.358 nan 8.180 nan 0.000 0.512 64 D N -0.130 120.268 120.400 -0.004 0.000 2.084 64 D HA -0.182 4.454 4.640 -0.006 0.000 0.194 64 D C 2.271 178.456 176.300 -0.193 0.000 0.990 64 D CA 1.758 55.684 54.000 -0.123 0.000 0.826 64 D CB -0.534 40.269 40.800 0.005 0.000 0.971 64 D HN 0.202 nan 8.370 nan 0.000 0.453 65 R N -0.112 120.317 120.500 -0.118 0.000 2.091 65 R HA -0.110 4.226 4.340 -0.006 0.000 0.238 65 R C 2.321 178.498 176.300 -0.205 0.000 1.136 65 R CA 0.632 56.661 56.100 -0.119 0.000 0.959 65 R CB -0.498 29.772 30.300 -0.049 0.000 0.856 65 R HN 0.167 nan 8.270 nan 0.000 0.437 66 L N 0.975 122.017 121.223 -0.303 0.000 1.994 66 L HA -0.154 4.182 4.340 -0.006 0.000 0.208 66 L C 2.026 178.588 176.870 -0.513 0.000 1.071 66 L CA 1.710 56.286 54.840 -0.441 0.000 0.745 66 L CB -0.292 41.356 42.059 -0.684 0.000 0.892 66 L HN 0.100 nan 8.230 nan 0.000 0.431 67 I N 0.071 120.226 120.570 -0.691 0.000 2.361 67 I HA -0.141 4.025 4.170 -0.006 0.000 0.251 67 I C 2.246 178.150 176.117 -0.355 0.000 1.133 67 I CA 1.377 62.299 61.300 -0.631 0.000 1.413 67 I CB -1.988 35.522 38.000 -0.818 0.000 1.073 67 I HN 0.473 nan 8.210 nan 0.000 0.424 68 G N -0.184 108.447 108.800 -0.282 0.000 3.026 68 G HA2 0.197 4.153 3.960 -0.006 0.000 0.208 68 G HA3 0.197 4.153 3.960 -0.006 0.000 0.208 68 G C 1.327 176.141 174.900 -0.144 0.000 1.169 68 G CA 0.485 45.479 45.100 -0.177 0.000 0.788 68 G HN 0.548 nan 8.290 nan 0.000 0.533 69 G N -0.246 108.452 108.800 -0.169 0.000 2.147 69 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.244 69 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.244 69 G C 0.122 174.961 174.900 -0.101 0.000 1.005 69 G CA 0.278 45.301 45.100 -0.127 0.000 0.713 69 G HN 0.571 nan 8.290 nan 0.000 0.515 70 E N -0.163 119.972 120.200 -0.108 0.000 2.345 70 E HA 0.612 4.958 4.350 -0.006 0.000 0.259 70 E C 0.141 176.702 176.600 -0.065 0.000 1.117 70 E CA 0.180 56.536 56.400 -0.074 0.000 0.913 70 E CB 1.468 31.130 29.700 -0.063 0.000 1.057 70 E HN 0.236 nan 8.360 nan 0.000 0.432 71 S N -0.998 114.677 115.700 -0.041 0.000 2.564 71 S HA 0.522 4.988 4.470 -0.006 0.000 0.274 71 S C 0.037 174.631 174.600 -0.011 0.000 1.124 71 S CA -0.343 57.839 58.200 -0.030 0.000 0.869 71 S CB 1.623 64.801 63.200 -0.037 0.000 1.105 71 S HN 0.570 nan 8.310 nan 0.000 0.472 72 G N 2.103 110.903 108.800 -0.000 0.000 3.126 72 G HA2 0.278 4.234 3.960 -0.006 0.000 0.224 72 G HA3 0.278 4.234 3.960 -0.006 0.000 0.224 72 G C 0.127 175.032 174.900 0.009 0.000 1.142 72 G CA -0.209 44.901 45.100 0.017 0.000 0.759 72 G HN 0.652 nan 8.290 nan 0.000 0.550 73 I N 1.896 122.457 120.570 -0.015 0.000 2.496 73 I HA 0.333 4.499 4.170 -0.006 0.000 0.285 73 I C 0.412 176.519 176.117 -0.018 0.000 1.080 73 I CA -0.375 60.904 61.300 -0.036 0.000 1.404 73 I CB 1.289 39.255 38.000 -0.056 0.000 1.403 73 I HN -0.029 nan 8.210 nan 0.000 0.539 74 V N 1.552 121.461 119.914 -0.009 0.000 3.165 74 V HA 0.552 4.668 4.120 -0.006 0.000 0.309 74 V C -0.168 175.929 176.094 0.006 0.000 1.267 74 V CA -0.871 61.442 62.300 0.022 0.000 1.067 74 V CB 1.646 33.521 31.823 0.087 0.000 1.082 74 V HN 0.596 nan 8.190 nan 0.000 0.451 75 S N 1.346 117.056 115.700 0.018 0.000 2.565 75 S HA 0.552 5.018 4.470 -0.006 0.000 0.276 75 S C -0.049 174.573 174.600 0.036 0.000 1.326 75 S CA -0.400 57.801 58.200 0.001 0.000 1.045 75 S CB 0.368 63.570 63.200 0.002 0.000 0.918 75 S HN 0.607 nan 8.310 nan 0.000 0.505 76 L N 3.316 124.516 121.223 -0.039 0.000 2.499 76 L HA 0.156 4.493 4.340 -0.006 0.000 0.273 76 L C -0.332 176.551 176.870 0.021 0.000 1.195 76 L CA -0.144 54.650 54.840 -0.078 0.000 0.882 76 L CB 0.097 41.910 42.059 -0.411 0.000 1.133 76 L HN 0.318 nan 8.230 nan 0.000 0.483 77 V N 2.257 122.227 119.914 0.095 0.000 2.628 77 V HA 0.932 5.048 4.120 -0.006 0.000 0.306 77 V C 0.298 176.523 176.094 0.219 0.000 1.045 77 V CA -0.291 62.075 62.300 0.110 0.000 0.905 77 V CB 1.595 33.440 31.823 0.036 0.000 0.997 77 V HN 0.985 nan 8.190 nan 0.000 0.436 78 G N 2.948 111.862 108.800 0.190 0.000 2.627 78 G HA2 0.004 3.960 3.960 -0.006 0.000 0.680 78 G HA3 0.004 3.960 3.960 -0.006 0.000 0.680 78 G C -0.183 174.811 174.900 0.157 0.000 1.341 78 G CA -0.554 44.653 45.100 0.177 0.000 0.835 78 G HN 0.544 nan 8.290 nan 0.000 0.643 79 E N 0.832 121.067 120.200 0.059 0.000 2.274 79 E HA -0.099 4.247 4.350 -0.006 0.000 0.194 79 E C 2.341 178.936 176.600 -0.009 0.000 0.996 79 E CA 1.183 57.603 56.400 0.035 0.000 0.840 79 E CB 0.045 29.753 29.700 0.013 0.000 0.772 79 E HN 0.867 nan 8.360 nan 0.000 0.491 80 E N 0.199 120.335 120.200 -0.107 0.000 2.401 80 E HA -0.196 4.150 4.350 -0.006 0.000 0.199 80 E C 0.786 177.213 176.600 -0.288 0.000 1.023 80 E CA 0.828 57.084 56.400 -0.239 0.000 0.859 80 E CB -0.393 29.084 29.700 -0.371 0.000 0.780 80 E HN 0.389 nan 8.360 nan 0.000 0.523 81 Y N 1.837 122.154 120.300 0.029 0.000 2.457 81 Y HA 0.143 4.689 4.550 -0.007 0.000 0.263 81 Y C 2.149 178.061 175.900 0.019 0.000 1.164 81 Y CA 0.411 58.528 58.100 0.027 0.000 1.274 81 Y CB 0.250 38.732 38.460 0.036 0.000 1.097 81 Y HN 0.111 nan 8.280 nan 0.000 0.523 82 K N -0.280 120.189 120.400 0.116 0.000 2.280 82 K HA -0.130 4.186 4.320 -0.006 0.000 0.202 82 K C 1.702 178.336 176.600 0.057 0.000 1.047 82 K CA 1.593 57.925 56.287 0.075 0.000 0.942 82 K CB -0.462 32.065 32.500 0.046 0.000 0.739 82 K HN 0.223 nan 8.250 nan 0.000 0.457 83 S N 1.229 116.958 115.700 0.048 0.000 2.555 83 S HA 0.031 4.497 4.470 -0.006 0.000 0.230 83 S C 0.968 175.600 174.600 0.053 0.000 0.978 83 S CA 0.029 58.252 58.200 0.037 0.000 0.934 83 S CB -0.912 62.298 63.200 0.016 0.000 0.766 83 S HN 0.516 nan 8.310 nan 0.000 0.533 84 I N -3.362 117.256 120.570 0.081 0.000 2.689 84 I HA 0.563 4.729 4.170 -0.006 0.000 0.299 84 I C -2.590 173.561 176.117 0.057 0.000 1.059 84 I CA -2.850 58.497 61.300 0.078 0.000 1.055 84 I CB 1.679 39.749 38.000 0.116 0.000 1.243 84 I HN -0.290 nan 8.210 nan 0.000 0.425 85 P HA 0.012 nan 4.420 nan 0.000 0.223 85 P C 0.505 177.802 177.300 -0.005 0.000 1.151 85 P CA 0.419 63.528 63.100 0.014 0.000 0.787 85 P CB -0.063 31.642 31.700 0.009 0.000 0.788 86 C N 0.922 120.214 119.300 -0.013 0.000 2.601 86 C HA 0.326 4.782 4.460 -0.006 0.000 0.409 86 C C 1.730 176.682 174.990 -0.063 0.000 1.293 86 C CA 0.571 59.554 59.018 -0.058 0.000 2.101 86 C CB -0.527 27.161 27.740 -0.086 0.000 2.639 86 C HN 0.362 nan 8.230 nan 0.000 0.592 87 S N 2.915 118.562 115.700 -0.088 0.000 2.847 87 S HA 0.313 4.779 4.470 -0.006 0.000 0.254 87 S C -0.222 174.306 174.600 -0.119 0.000 1.039 87 S CA 0.248 58.396 58.200 -0.087 0.000 1.113 87 S CB -0.477 62.696 63.200 -0.044 0.000 1.092 87 S HN 1.411 nan 8.310 nan 0.000 0.620 88 V N -2.016 117.807 119.914 -0.153 0.000 3.040 88 V HA 1.058 5.174 4.120 -0.006 0.000 0.312 88 V C -0.546 175.409 176.094 -0.232 0.000 1.115 88 V CA -0.461 61.744 62.300 -0.159 0.000 0.998 88 V CB 1.098 32.849 31.823 -0.120 0.000 1.042 88 V HN 0.816 nan 8.190 nan 0.000 0.433 89 A N 1.498 124.166 122.820 -0.255 0.000 2.544 89 A HA 0.979 5.295 4.320 -0.006 0.000 0.291 89 A C -0.670 176.705 177.584 -0.348 0.000 1.055 89 A CA -0.372 51.444 52.037 -0.367 0.000 0.651 89 A CB 1.020 19.662 19.000 -0.598 0.000 1.296 89 A HN 2.582 nan 8.150 nan 0.000 0.431 90 A N 0.620 123.238 122.820 -0.338 0.000 2.293 90 A HA 0.698 5.014 4.320 -0.006 0.000 0.312 90 A C -1.241 176.211 177.584 -0.220 0.000 1.309 90 A CA -0.233 51.686 52.037 -0.195 0.000 0.839 90 A CB -0.137 18.806 19.000 -0.095 0.000 1.155 90 A HN 0.788 nan 8.150 nan 0.000 0.501 91 Y N 1.201 121.492 120.300 -0.016 0.000 2.376 91 Y HA 0.389 4.935 4.550 -0.006 0.000 0.325 91 Y C 0.708 176.613 175.900 0.008 0.000 1.199 91 Y CA -0.588 57.511 58.100 -0.002 0.000 1.206 91 Y CB 1.367 39.832 38.460 0.009 0.000 1.229 91 Y HN 0.377 nan 8.280 nan 0.000 0.480 92 V N 5.688 125.712 119.914 0.182 0.000 2.529 92 V HA 0.072 4.188 4.120 -0.006 0.000 0.292 92 V C -1.952 174.237 176.094 0.157 0.000 1.028 92 V CA -1.499 60.870 62.300 0.114 0.000 1.074 92 V CB 0.171 32.011 31.823 0.028 0.000 0.958 92 V HN 0.548 nan 8.190 nan 0.000 0.481 93 P HA 0.306 nan 4.420 nan 0.000 0.276 93 P C -0.590 176.806 177.300 0.160 0.000 1.243 93 P CA -0.206 62.969 63.100 0.125 0.000 0.768 93 P CB 0.607 32.368 31.700 0.102 0.000 0.856 94 R N 1.795 122.372 120.500 0.129 0.000 2.532 94 R HA 0.814 5.151 4.340 -0.006 0.000 0.295 94 R C 0.439 176.782 176.300 0.072 0.000 0.968 94 R CA -0.312 55.869 56.100 0.135 0.000 0.916 94 R CB 1.936 32.310 30.300 0.123 0.000 1.124 94 R HN 0.782 nan 8.270 nan 0.000 0.463 95 G N -0.483 108.349 108.800 0.052 0.000 2.369 95 G HA2 -0.054 3.902 3.960 -0.006 0.000 0.293 95 G HA3 -0.054 3.902 3.960 -0.006 0.000 0.293 95 G C -0.246 174.662 174.900 0.012 0.000 1.301 95 G CA -0.162 44.952 45.100 0.023 0.000 0.913 95 G HN 0.503 nan 8.290 nan 0.000 0.540 96 S N -0.841 114.861 115.700 0.003 0.000 2.524 96 S HA 0.276 4.742 4.470 -0.006 0.000 0.215 96 S C 0.204 174.809 174.600 0.008 0.000 0.986 96 S CA 0.575 58.770 58.200 -0.009 0.000 0.911 96 S CB 0.188 63.375 63.200 -0.022 0.000 0.805 96 S HN 0.527 nan 8.310 nan 0.000 0.501 97 D N 2.731 123.144 120.400 0.023 0.000 2.378 97 D HA 0.226 4.863 4.640 -0.006 0.000 0.238 97 D C 0.177 176.506 176.300 0.048 0.000 1.180 97 D CA 0.160 54.179 54.000 0.032 0.000 0.895 97 D CB 0.266 41.087 40.800 0.035 0.000 1.192 97 D HN 0.358 nan 8.370 nan 0.000 0.438 98 E N -0.670 119.560 120.200 0.050 0.000 2.384 98 E HA 0.321 4.668 4.350 -0.006 0.000 0.266 98 E C 1.080 177.730 176.600 0.083 0.000 1.012 98 E CA 0.770 57.211 56.400 0.068 0.000 0.901 98 E CB 0.251 29.989 29.700 0.063 0.000 0.967 98 E HN 0.575 nan 8.360 nan 0.000 0.435 99 G N 3.125 111.991 108.800 0.110 0.000 2.176 99 G HA2 -0.308 3.648 3.960 -0.006 0.000 0.253 99 G HA3 -0.308 3.648 3.960 -0.006 0.000 0.253 99 G C 0.133 175.114 174.900 0.135 0.000 0.979 99 G CA 0.401 45.572 45.100 0.119 0.000 0.641 99 G HN 0.530 nan 8.290 nan 0.000 0.530 100 Q N -0.955 118.928 119.800 0.138 0.000 2.193 100 Q HA 0.660 4.996 4.340 -0.006 0.000 0.246 100 Q C -0.854 175.301 176.000 0.257 0.000 0.959 100 Q CA -0.971 54.931 55.803 0.164 0.000 0.904 100 Q CB 1.439 30.243 28.738 0.111 0.000 1.238 100 Q HN 0.204 nan 8.270 nan 0.000 0.469 101 F N 2.423 122.433 119.950 0.099 0.000 2.391 101 F HA 0.276 4.799 4.527 -0.006 0.000 0.359 101 F C -0.514 175.361 175.800 0.125 0.000 1.122 101 F CA -0.856 57.228 58.000 0.140 0.000 1.120 101 F CB 0.533 39.607 39.000 0.124 0.000 1.142 101 F HN 0.382 nan 8.300 nan 0.000 0.483 102 N N 4.925 123.442 118.700 -0.306 0.000 2.564 102 N HA 0.165 4.901 4.740 -0.006 0.000 0.248 102 N C 0.584 175.767 175.510 -0.546 0.000 0.986 102 N CA -0.231 52.609 53.050 -0.350 0.000 0.921 102 N CB 0.642 39.018 38.487 -0.184 0.000 1.136 102 N HN 0.721 nan 8.380 nan 0.000 0.509 103 E N 1.536 121.383 120.200 -0.589 0.000 2.171 103 E HA -0.241 4.105 4.350 -0.006 0.000 0.197 103 E C 0.637 177.135 176.600 -0.170 0.000 0.997 103 E CA 1.245 57.408 56.400 -0.396 0.000 0.810 103 E CB 0.212 29.806 29.700 -0.177 0.000 0.738 103 E HN 0.724 nan 8.360 nan 0.000 0.467 104 Q N 0.256 119.943 119.800 -0.189 0.000 2.364 104 Q HA -0.084 4.252 4.340 -0.006 0.000 0.207 104 Q C 1.484 177.356 176.000 -0.214 0.000 0.970 104 Q CA 0.474 56.188 55.803 -0.148 0.000 0.888 104 Q CB 0.013 28.679 28.738 -0.120 0.000 0.951 104 Q HN 0.202 nan 8.270 nan 0.000 0.469 105 N N -0.238 118.233 118.700 -0.381 0.000 2.381 105 N HA -0.095 4.641 4.740 -0.006 0.000 0.182 105 N C 0.701 175.796 175.510 -0.691 0.000 1.025 105 N CA 1.136 53.810 53.050 -0.626 0.000 0.888 105 N CB 0.079 37.973 38.487 -0.988 0.000 0.965 105 N HN 0.239 nan 8.380 nan 0.000 0.438 106 F N -1.031 118.896 119.950 -0.039 0.000 2.592 106 F HA 0.266 4.790 4.527 -0.006 0.000 0.280 106 F C 0.778 176.579 175.800 0.002 0.000 1.083 106 F CA -0.368 57.645 58.000 0.022 0.000 1.365 106 F CB 0.013 39.067 39.000 0.089 0.000 1.100 106 F HN -0.238 nan 8.300 nan 0.000 0.633 107 V N -1.558 118.434 119.914 0.130 0.000 2.962 107 V HA 0.747 4.863 4.120 -0.006 0.000 0.313 107 V C -0.036 176.057 176.094 -0.001 0.000 1.099 107 V CA -1.239 61.096 62.300 0.059 0.000 0.971 107 V CB 1.256 33.120 31.823 0.069 0.000 1.028 107 V HN 0.138 nan 8.190 nan 0.000 0.430 108 S N 1.594 117.283 115.700 -0.018 0.000 2.632 108 S HA 0.394 4.860 4.470 -0.006 0.000 0.267 108 S C 0.803 175.384 174.600 -0.031 0.000 1.276 108 S CA 0.027 58.209 58.200 -0.031 0.000 0.998 108 S CB 1.243 64.422 63.200 -0.035 0.000 0.953 108 S HN 0.883 nan 8.310 nan 0.000 0.547 109 K N 0.993 121.375 120.400 -0.030 0.000 2.152 109 K HA -0.067 4.249 4.320 -0.006 0.000 0.206 109 K C 2.303 178.886 176.600 -0.028 0.000 1.048 109 K CA 1.544 57.816 56.287 -0.025 0.000 0.933 109 K CB -0.740 31.748 32.500 -0.021 0.000 0.721 109 K HN 0.638 nan 8.250 nan 0.000 0.447 110 S N 0.314 115.993 115.700 -0.036 0.000 2.402 110 S HA -0.124 4.343 4.470 -0.006 0.000 0.229 110 S C 1.174 175.716 174.600 -0.096 0.000 1.021 110 S CA 1.468 59.637 58.200 -0.050 0.000 0.974 110 S CB -0.264 62.910 63.200 -0.043 0.000 0.800 110 S HN 0.320 nan 8.310 nan 0.000 0.484 111 D N 1.108 121.457 120.400 -0.086 0.000 2.224 111 D HA 0.055 4.691 4.640 -0.006 0.000 0.205 111 D C 1.714 177.959 176.300 -0.092 0.000 0.965 111 D CA 0.699 54.635 54.000 -0.107 0.000 0.852 111 D CB -0.272 40.489 40.800 -0.065 0.000 0.947 111 D HN 0.471 nan 8.370 nan 0.000 0.494 112 I N 0.905 121.445 120.570 -0.050 0.000 2.614 112 I HA -0.184 3.982 4.170 -0.006 0.000 0.258 112 I C 1.944 178.048 176.117 -0.022 0.000 1.189 112 I CA 0.794 62.083 61.300 -0.019 0.000 1.462 112 I CB 0.034 38.033 38.000 -0.000 0.000 1.092 112 I HN -0.153 nan 8.210 nan 0.000 0.442 113 K N 0.361 120.730 120.400 -0.051 0.000 2.243 113 K HA 0.056 4.372 4.320 -0.006 0.000 0.201 113 K C 1.840 178.405 176.600 -0.058 0.000 1.051 113 K CA 1.155 57.428 56.287 -0.022 0.000 0.970 113 K CB -0.259 32.245 32.500 0.007 0.000 0.755 113 K HN 0.371 nan 8.250 nan 0.000 0.465 114 S N -0.705 114.858 115.700 -0.227 0.000 2.554 114 S HA 0.318 4.784 4.470 -0.006 0.000 0.226 114 S C 0.626 175.146 174.600 -0.133 0.000 0.980 114 S CA -0.498 57.502 58.200 -0.333 0.000 0.939 114 S CB 0.009 62.632 63.200 -0.962 0.000 0.832 114 S HN 0.007 nan 8.310 nan 0.000 0.486 115 M N 2.302 121.863 119.600 -0.065 0.000 2.464 115 M HA 0.449 4.925 4.480 -0.006 0.000 0.308 115 M C -0.223 176.091 176.300 0.023 0.000 1.127 115 M CA -0.571 54.719 55.300 -0.016 0.000 0.913 115 M CB 2.583 35.175 32.600 -0.013 0.000 1.689 115 M HN 0.269 nan 8.290 nan 0.000 0.445 116 S N 0.378 116.099 115.700 0.034 0.000 2.614 116 S HA 0.208 4.674 4.470 -0.006 0.000 0.265 116 S C 1.054 175.690 174.600 0.060 0.000 1.303 116 S CA -0.210 58.020 58.200 0.050 0.000 1.000 116 S CB 1.491 64.716 63.200 0.042 0.000 0.935 116 S HN 0.767 nan 8.310 nan 0.000 0.551 117 S N 1.620 117.363 115.700 0.072 0.000 2.370 117 S HA -0.007 4.459 4.470 -0.006 0.000 0.226 117 S C -0.898 173.744 174.600 0.071 0.000 1.033 117 S CA 1.474 59.729 58.200 0.092 0.000 1.011 117 S CB -1.614 61.645 63.200 0.099 0.000 0.852 117 S HN 0.730 nan 8.310 nan 0.000 0.457 118 P HA -0.005 nan 4.420 nan 0.000 0.217 118 P C 1.393 178.699 177.300 0.010 0.000 1.150 118 P CA 1.257 64.364 63.100 0.011 0.000 0.832 118 P CB -0.360 31.344 31.700 0.007 0.000 0.787 119 T N -0.244 114.325 114.554 0.026 0.000 2.708 119 T HA -0.094 4.252 4.350 -0.006 0.000 0.266 119 T C 1.766 176.495 174.700 0.048 0.000 1.037 119 T CA 1.128 63.245 62.100 0.028 0.000 1.146 119 T CB -0.903 67.980 68.868 0.025 0.000 0.865 119 T HN 0.057 nan 8.240 nan 0.000 0.435 120 I N 0.846 121.465 120.570 0.083 0.000 2.208 120 I HA -0.222 3.945 4.170 -0.006 0.000 0.245 120 I C 2.553 178.778 176.117 0.181 0.000 1.097 120 I CA 1.418 62.810 61.300 0.153 0.000 1.363 120 I CB -0.420 37.701 38.000 0.202 0.000 1.051 120 I HN 0.257 nan 8.210 nan 0.000 0.413 121 M N 0.237 119.884 119.600 0.078 0.000 2.108 121 M HA -0.214 4.262 4.480 -0.006 0.000 0.261 121 M C 2.570 178.774 176.300 -0.159 0.000 1.066 121 M CA 2.044 57.248 55.300 -0.159 0.000 1.107 121 M CB -0.545 31.909 32.600 -0.243 0.000 1.356 121 M HN 0.348 nan 8.290 nan 0.000 0.406 122 A N 0.484 123.259 122.820 -0.075 0.000 1.933 122 A HA -0.125 4.191 4.320 -0.006 0.000 0.218 122 A C 2.045 179.603 177.584 -0.044 0.000 1.175 122 A CA 1.400 53.399 52.037 -0.063 0.000 0.628 122 A CB -0.843 18.143 19.000 -0.023 0.000 0.814 122 A HN 0.456 nan 8.150 nan 0.000 0.444 123 I N -0.339 120.233 120.570 0.004 0.000 2.226 123 I HA -0.191 3.975 4.170 -0.006 0.000 0.245 123 I C 2.690 178.753 176.117 -0.090 0.000 1.100 123 I CA 1.059 62.398 61.300 0.066 0.000 1.374 123 I CB -0.545 37.531 38.000 0.125 0.000 1.057 123 I HN 0.396 nan 8.210 nan 0.000 0.413 124 G N 0.494 109.091 108.800 -0.340 0.000 2.459 124 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.217 124 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.217 124 G C 1.859 176.425 174.900 -0.556 0.000 1.183 124 G CA 0.861 45.333 45.100 -1.047 0.000 0.776 124 G HN 0.488 nan 8.290 nan 0.000 0.552 125 A N 1.058 123.692 122.820 -0.309 0.000 1.933 125 A HA 0.263 4.580 4.320 -0.006 0.000 0.218 125 A C 2.804 180.303 177.584 -0.141 0.000 1.175 125 A CA 2.310 54.230 52.037 -0.194 0.000 0.628 125 A CB -0.746 18.151 19.000 -0.172 0.000 0.814 125 A HN 0.813 nan 8.150 nan 0.000 0.444 126 A N -0.391 122.352 122.820 -0.129 0.000 1.898 126 A HA -0.155 4.161 4.320 -0.006 0.000 0.216 126 A C 2.007 179.456 177.584 -0.226 0.000 1.181 126 A CA 1.784 53.736 52.037 -0.141 0.000 0.620 126 A CB -0.528 18.417 19.000 -0.092 0.000 0.819 126 A HN 0.669 nan 8.150 nan 0.000 0.442 127 E N -0.085 120.015 120.200 -0.167 0.000 2.058 127 E HA -0.177 4.169 4.350 -0.006 0.000 0.194 127 E C 1.875 178.493 176.600 0.030 0.000 0.997 127 E CA 1.296 57.656 56.400 -0.065 0.000 0.801 127 E CB -0.232 29.638 29.700 0.282 0.000 0.746 127 E HN 0.621 nan 8.360 nan 0.000 0.450 128 L N 0.158 121.402 121.223 0.035 0.000 2.141 128 L HA -0.107 4.229 4.340 -0.006 0.000 0.209 128 L C 2.595 179.487 176.870 0.036 0.000 1.094 128 L CA 0.868 55.755 54.840 0.079 0.000 0.763 128 L CB -0.390 41.710 42.059 0.068 0.000 0.908 128 L HN 0.224 nan 8.230 nan 0.000 0.437 129 A N -0.042 122.765 122.820 -0.022 0.000 1.873 129 A HA -0.195 4.121 4.320 -0.006 0.000 0.215 129 A C 2.314 179.888 177.584 -0.016 0.000 1.186 129 A CA 1.543 53.564 52.037 -0.026 0.000 0.616 129 A CB -0.421 18.544 19.000 -0.058 0.000 0.823 129 A HN 0.304 nan 8.150 nan 0.000 0.442 130 M N -0.743 118.825 119.600 -0.053 0.000 2.117 130 M HA -0.148 4.328 4.480 -0.006 0.000 0.262 130 M C 2.263 178.540 176.300 -0.039 0.000 1.065 130 M CA 2.048 57.305 55.300 -0.072 0.000 1.114 130 M CB -0.342 32.170 32.600 -0.145 0.000 1.361 130 M HN 0.514 nan 8.290 nan 0.000 0.408 131 K N 0.676 121.159 120.400 0.138 0.000 2.057 131 K HA -0.236 4.080 4.320 -0.006 0.000 0.207 131 K C 1.514 178.196 176.600 0.137 0.000 1.049 131 K CA 2.107 58.537 56.287 0.238 0.000 0.931 131 K CB -0.146 32.487 32.500 0.221 0.000 0.714 131 K HN 0.124 nan 8.250 nan 0.000 0.440 132 D N -0.433 120.025 120.400 0.098 0.000 2.218 132 D HA -0.114 4.522 4.640 -0.006 0.000 0.204 132 D C 1.726 178.058 176.300 0.053 0.000 0.976 132 D CA 1.110 55.169 54.000 0.098 0.000 0.853 132 D CB 0.014 40.877 40.800 0.104 0.000 0.939 132 D HN 0.225 nan 8.370 nan 0.000 0.481 133 S N -1.629 114.083 115.700 0.021 0.000 2.486 133 S HA 0.190 4.656 4.470 -0.006 0.000 0.220 133 S C 1.544 176.143 174.600 -0.002 0.000 1.011 133 S CA 1.025 59.218 58.200 -0.011 0.000 0.921 133 S CB -0.169 63.030 63.200 -0.001 0.000 0.785 133 S HN 0.462 nan 8.310 nan 0.000 0.517 134 G N 0.630 109.416 108.800 -0.024 0.000 2.160 134 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.251 134 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.251 134 G C -0.233 174.606 174.900 -0.102 0.000 1.008 134 G CA 0.219 45.309 45.100 -0.018 0.000 0.724 134 G HN 0.591 nan 8.290 nan 0.000 0.514 135 W N 1.933 122.922 121.300 -0.519 0.000 2.283 135 W HA 0.613 5.269 4.660 -0.006 0.000 0.317 135 W C -0.636 175.518 176.519 -0.610 0.000 1.042 135 W CA -0.611 56.499 57.345 -0.391 0.000 1.348 135 W CB 0.611 29.954 29.460 -0.194 0.000 1.216 135 W HN 0.272 nan 8.180 nan 0.000 0.404 136 H N 6.385 125.189 119.070 -0.444 0.000 2.607 136 H HA 0.198 4.750 4.556 -0.006 0.000 0.248 136 H C -2.204 172.773 175.328 -0.585 0.000 1.355 136 H CA -1.572 54.247 56.048 -0.382 0.000 1.524 136 H CB 0.793 30.462 29.762 -0.154 0.000 1.563 136 H HN 0.208 nan 8.280 nan 0.000 0.509 137 P HA 0.048 nan 4.420 nan 0.000 0.267 137 P C 0.494 177.642 177.300 -0.254 0.000 1.209 137 P CA -0.012 62.704 63.100 -0.640 0.000 0.763 137 P CB 1.786 33.222 31.700 -0.441 0.000 0.816 138 Q N 0.812 120.494 119.800 -0.197 0.000 2.532 138 Q HA 0.058 4.394 4.340 -0.006 0.000 0.247 138 Q C 0.995 176.961 176.000 -0.056 0.000 0.872 138 Q CA 0.608 56.354 55.803 -0.095 0.000 0.963 138 Q CB -0.499 28.192 28.738 -0.079 0.000 1.159 138 Q HN 0.642 nan 8.270 nan 0.000 0.598 139 S N 1.232 116.902 115.700 -0.049 0.000 2.584 139 S HA 0.057 4.524 4.470 -0.006 0.000 0.270 139 S C 1.105 175.708 174.600 0.004 0.000 1.346 139 S CA -0.331 57.862 58.200 -0.012 0.000 1.018 139 S CB 1.517 64.720 63.200 0.005 0.000 0.899 139 S HN 0.180 nan 8.310 nan 0.000 0.542 140 E N 1.512 121.720 120.200 0.014 0.000 2.077 140 E HA -0.183 4.163 4.350 -0.006 0.000 0.193 140 E C 2.109 178.733 176.600 0.040 0.000 0.989 140 E CA 1.485 57.898 56.400 0.022 0.000 0.800 140 E CB -0.656 29.055 29.700 0.018 0.000 0.746 140 E HN 0.840 nan 8.360 nan 0.000 0.452 141 A N 1.299 124.149 122.820 0.050 0.000 1.902 141 A HA -0.189 4.127 4.320 -0.006 0.000 0.217 141 A C 1.878 179.533 177.584 0.118 0.000 1.181 141 A CA 1.842 53.924 52.037 0.074 0.000 0.623 141 A CB -0.428 18.617 19.000 0.075 0.000 0.818 141 A HN 0.204 nan 8.150 nan 0.000 0.443 142 D N -0.576 119.903 120.400 0.132 0.000 2.149 142 D HA -0.097 4.539 4.640 -0.006 0.000 0.201 142 D C 2.228 178.640 176.300 0.187 0.000 0.972 142 D CA 1.154 55.290 54.000 0.228 0.000 0.835 142 D CB -0.322 40.537 40.800 0.098 0.000 0.966 142 D HN 0.613 nan 8.370 nan 0.000 0.476 143 Q N 0.203 120.054 119.800 0.085 0.000 2.079 143 Q HA -0.085 4.251 4.340 -0.006 0.000 0.200 143 Q C 2.422 178.472 176.000 0.083 0.000 0.974 143 Q CA 1.291 57.137 55.803 0.071 0.000 0.840 143 Q CB 0.023 28.780 28.738 0.033 0.000 0.898 143 Q HN 0.321 nan 8.270 nan 0.000 0.430 144 V N -2.191 117.764 119.914 0.069 0.000 2.809 144 V HA 0.015 4.131 4.120 -0.006 0.000 0.256 144 V C 1.888 178.013 176.094 0.053 0.000 1.080 144 V CA 1.544 63.874 62.300 0.050 0.000 1.102 144 V CB -0.755 31.089 31.823 0.035 0.000 0.705 144 V HN 0.233 nan 8.190 nan 0.000 0.475 145 A N -0.024 122.850 122.820 0.089 0.000 2.208 145 A HA 0.231 4.547 4.320 -0.006 0.000 0.209 145 A C 1.282 178.899 177.584 0.056 0.000 1.161 145 A CA 0.976 53.054 52.037 0.067 0.000 0.782 145 A CB -0.472 18.587 19.000 0.099 0.000 0.816 145 A HN 0.571 nan 8.150 nan 0.000 0.477 146 T N 0.377 115.004 114.554 0.120 0.000 2.772 146 T HA 0.564 4.910 4.350 -0.006 0.000 0.288 146 T C 0.319 175.066 174.700 0.079 0.000 0.994 146 T CA 0.030 62.213 62.100 0.139 0.000 0.951 146 T CB 1.476 70.550 68.868 0.344 0.000 0.933 146 T HN 0.342 nan 8.240 nan 0.000 0.447 147 G N 1.307 110.126 108.800 0.033 0.000 2.820 147 G HA2 0.737 4.693 3.960 -0.006 0.000 0.291 147 G HA3 0.737 4.693 3.960 -0.006 0.000 0.291 147 G C -1.272 173.651 174.900 0.038 0.000 1.323 147 G CA -0.729 44.378 45.100 0.012 0.000 1.055 147 G HN 0.655 nan 8.290 nan 0.000 0.520 148 V N -0.453 119.484 119.914 0.038 0.000 2.686 148 V HA 0.710 4.826 4.120 -0.006 0.000 0.306 148 V C -0.307 175.838 176.094 0.085 0.000 1.065 148 V CA -0.597 61.740 62.300 0.061 0.000 0.894 148 V CB 1.612 33.476 31.823 0.067 0.000 1.004 148 V HN 1.288 nan 8.190 nan 0.000 0.424 149 A N 6.172 129.052 122.820 0.101 0.000 2.815 149 A HA 0.837 5.154 4.320 -0.006 0.000 0.318 149 A C -0.930 176.718 177.584 0.105 0.000 1.186 149 A CA -0.179 51.952 52.037 0.155 0.000 0.754 149 A CB 0.266 19.401 19.000 0.224 0.000 1.151 149 A HN 0.732 nan 8.150 nan 0.000 0.452 150 I N 2.092 122.709 120.570 0.078 0.000 2.418 150 I HA 0.552 4.718 4.170 -0.006 0.000 0.287 150 I C 0.762 176.902 176.117 0.038 0.000 1.008 150 I CA -0.539 60.788 61.300 0.045 0.000 1.104 150 I CB 2.278 40.294 38.000 0.026 0.000 1.264 150 I HN 0.605 nan 8.210 nan 0.000 0.438 151 G N 5.737 114.558 108.800 0.035 0.000 2.509 151 G HA2 0.795 4.751 3.960 -0.006 0.000 0.328 151 G HA3 0.795 4.751 3.960 -0.006 0.000 0.328 151 G C -1.102 173.806 174.900 0.014 0.000 1.194 151 G CA -0.629 44.488 45.100 0.030 0.000 0.967 151 G HN 0.512 nan 8.290 nan 0.000 0.488 152 M N 0.394 120.001 119.600 0.012 0.000 2.324 152 M HA 0.425 4.901 4.480 -0.006 0.000 0.288 152 M C 0.929 177.236 176.300 0.012 0.000 1.097 152 M CA -0.633 54.670 55.300 0.005 0.000 0.928 152 M CB 2.102 34.701 32.600 -0.001 0.000 1.648 152 M HN 0.662 nan 8.290 nan 0.000 0.460 153 G N 3.825 112.632 108.800 0.011 0.000 2.408 153 G HA2 0.134 4.090 3.960 -0.006 0.000 0.215 153 G HA3 0.134 4.090 3.960 -0.006 0.000 0.215 153 G C 0.164 175.077 174.900 0.022 0.000 1.156 153 G CA 0.257 45.370 45.100 0.021 0.000 0.793 153 G HN 0.560 nan 8.290 nan 0.000 0.535 154 M N 0.596 120.208 119.600 0.020 0.000 2.365 154 M HA 0.427 4.903 4.480 -0.006 0.000 0.287 154 M C -0.812 175.500 176.300 0.020 0.000 1.154 154 M CA -1.001 54.314 55.300 0.025 0.000 0.941 154 M CB 2.372 35.006 32.600 0.058 0.000 1.704 154 M HN 0.160 nan 8.290 nan 0.000 0.479 155 I N 1.319 121.896 120.570 0.011 0.000 3.004 155 I HA 0.483 4.649 4.170 -0.006 0.000 0.287 155 I C -2.243 173.891 176.117 0.029 0.000 1.144 155 I CA -1.640 59.665 61.300 0.009 0.000 1.353 155 I CB -0.009 37.984 38.000 -0.011 0.000 1.417 155 I HN 0.446 nan 8.210 nan 0.000 0.602 156 P HA 0.232 nan 4.420 nan 0.000 0.279 156 P C 0.533 177.876 177.300 0.071 0.000 1.318 156 P CA -0.156 62.978 63.100 0.057 0.000 0.819 156 P CB 0.774 32.512 31.700 0.063 0.000 0.927 157 L N 1.743 123.008 121.223 0.070 0.000 2.083 157 L HA -0.167 4.169 4.340 -0.006 0.000 0.209 157 L C 2.015 178.932 176.870 0.078 0.000 1.083 157 L CA 1.417 56.298 54.840 0.070 0.000 0.752 157 L CB -0.513 41.583 42.059 0.063 0.000 0.899 157 L HN 0.320 nan 8.230 nan 0.000 0.433 158 E N -0.077 120.170 120.200 0.078 0.000 2.107 158 E HA -0.120 4.227 4.350 -0.006 0.000 0.191 158 E C 2.398 179.050 176.600 0.086 0.000 0.982 158 E CA 0.907 57.349 56.400 0.071 0.000 0.809 158 E CB -0.362 29.377 29.700 0.065 0.000 0.756 158 E HN 0.309 nan 8.360 nan 0.000 0.459 159 V N 1.307 121.288 119.914 0.112 0.000 2.295 159 V HA -0.221 3.895 4.120 -0.006 0.000 0.246 159 V C 2.600 178.828 176.094 0.223 0.000 1.049 159 V CA 1.407 63.802 62.300 0.159 0.000 1.024 159 V CB -0.690 31.242 31.823 0.182 0.000 0.648 159 V HN 0.051 nan 8.190 nan 0.000 0.447 160 V N -0.359 119.702 119.914 0.245 0.000 2.295 160 V HA -0.278 3.838 4.120 -0.006 0.000 0.246 160 V C 2.676 178.851 176.094 0.136 0.000 1.049 160 V CA 2.411 64.882 62.300 0.286 0.000 1.024 160 V CB -0.831 31.118 31.823 0.210 0.000 0.648 160 V HN 0.601 nan 8.190 nan 0.000 0.447 161 S N -0.546 115.211 115.700 0.094 0.000 2.359 161 S HA -0.271 4.195 4.470 -0.006 0.000 0.224 161 S C 1.981 176.599 174.600 0.029 0.000 1.035 161 S CA 2.226 60.459 58.200 0.055 0.000 1.018 161 S CB -0.226 63.002 63.200 0.046 0.000 0.876 161 S HN 0.740 nan 8.310 nan 0.000 0.448 162 E N -0.388 119.827 120.200 0.025 0.000 2.107 162 E HA -0.043 4.303 4.350 -0.006 0.000 0.191 162 E C 2.188 178.763 176.600 -0.041 0.000 0.982 162 E CA 1.454 57.855 56.400 0.001 0.000 0.809 162 E CB -0.195 29.513 29.700 0.013 0.000 0.756 162 E HN 0.484 nan 8.360 nan 0.000 0.459 163 T N 0.871 115.364 114.554 -0.102 0.000 2.777 163 T HA -0.141 4.205 4.350 -0.006 0.000 0.266 163 T C 2.014 176.609 174.700 -0.176 0.000 1.040 163 T CA 1.092 63.026 62.100 -0.276 0.000 1.141 163 T CB -0.248 68.151 68.868 -0.783 0.000 0.868 163 T HN 0.236 nan 8.240 nan 0.000 0.444 164 A N 1.383 124.153 122.820 -0.083 0.000 1.883 164 A HA -0.072 4.244 4.320 -0.006 0.000 0.217 164 A C 2.264 179.887 177.584 0.065 0.000 1.186 164 A CA 1.527 53.587 52.037 0.039 0.000 0.624 164 A CB -0.931 18.105 19.000 0.059 0.000 0.822 164 A HN 0.413 nan 8.150 nan 0.000 0.444 165 L N 0.050 121.284 121.223 0.019 0.000 2.046 165 L HA -0.152 4.184 4.340 -0.006 0.000 0.208 165 L C 2.077 178.945 176.870 -0.004 0.000 1.077 165 L CA 2.436 57.279 54.840 0.004 0.000 0.747 165 L CB -0.655 41.402 42.059 -0.003 0.000 0.896 165 L HN 0.468 nan 8.230 nan 0.000 0.432 166 N N -1.162 117.535 118.700 -0.005 0.000 2.104 166 N HA -0.279 4.457 4.740 -0.006 0.000 0.190 166 N C 1.759 177.288 175.510 0.032 0.000 1.024 166 N CA 1.640 54.686 53.050 -0.007 0.000 0.853 166 N CB -0.385 38.083 38.487 -0.032 0.000 1.008 166 N HN 0.423 nan 8.380 nan 0.000 0.424 167 F N 1.480 121.365 119.950 -0.108 0.000 2.095 167 F HA -0.136 4.387 4.527 -0.006 0.000 0.298 167 F C 2.122 177.900 175.800 -0.036 0.000 1.104 167 F CA 1.614 59.566 58.000 -0.081 0.000 1.232 167 F CB -0.690 38.254 39.000 -0.094 0.000 0.987 167 F HN 0.159 nan 8.300 nan 0.000 0.475 168 Q N -0.861 118.810 119.800 -0.214 0.000 2.167 168 Q HA -0.118 4.218 4.340 -0.006 0.000 0.202 168 Q C 1.992 177.866 176.000 -0.211 0.000 0.970 168 Q CA 2.161 57.782 55.803 -0.303 0.000 0.855 168 Q CB -0.237 28.422 28.738 -0.131 0.000 0.911 168 Q HN 0.611 nan 8.270 nan 0.000 0.438 169 T N -3.099 111.380 114.554 -0.125 0.000 3.000 169 T HA 0.170 4.516 4.350 -0.006 0.000 0.248 169 T C 1.488 176.146 174.700 -0.070 0.000 1.034 169 T CA -0.124 61.925 62.100 -0.085 0.000 1.060 169 T CB 0.373 69.209 68.868 -0.053 0.000 0.983 169 T HN -0.068 nan 8.240 nan 0.000 0.482 170 K N 1.148 121.512 120.400 -0.060 0.000 2.402 170 K HA 0.461 4.777 4.320 -0.006 0.000 0.203 170 K C 1.074 177.661 176.600 -0.022 0.000 1.077 170 K CA 0.505 56.771 56.287 -0.035 0.000 1.051 170 K CB 1.272 33.759 32.500 -0.022 0.000 0.907 170 K HN 0.592 nan 8.250 nan 0.000 0.554 171 G N 1.247 110.023 108.800 -0.039 0.000 2.663 171 G HA2 -0.327 3.629 3.960 -0.006 0.000 0.686 171 G HA3 -0.327 3.629 3.960 -0.006 0.000 0.686 171 G C 0.184 175.211 174.900 0.213 0.000 1.288 171 G CA -0.159 44.950 45.100 0.015 0.000 0.836 171 G HN 0.080 nan 8.290 nan 0.000 0.584 172 Y N 1.233 121.678 120.300 0.241 0.000 2.102 172 Y HA -0.226 4.320 4.550 -0.007 0.000 0.280 172 Y C 2.467 178.443 175.900 0.126 0.000 1.178 172 Y CA 3.024 61.314 58.100 0.317 0.000 1.146 172 Y CB -0.345 38.261 38.460 0.242 0.000 0.968 172 Y HN 0.559 nan 8.280 nan 0.000 0.504 173 N N -0.151 118.534 118.700 -0.026 0.000 2.571 173 N HA -0.064 4.672 4.740 -0.006 0.000 0.189 173 N C 1.001 176.420 175.510 -0.152 0.000 1.154 173 N CA 0.463 53.418 53.050 -0.158 0.000 0.907 173 N CB 0.054 38.562 38.487 0.036 0.000 0.977 173 N HN 0.212 nan 8.380 nan 0.000 0.449 174 K N 0.003 120.336 120.400 -0.112 0.000 2.353 174 K HA 0.201 4.517 4.320 -0.006 0.000 0.195 174 K C -0.211 176.314 176.600 -0.125 0.000 1.031 174 K CA 0.009 56.243 56.287 -0.088 0.000 1.079 174 K CB 0.592 33.070 32.500 -0.037 0.000 0.857 174 K HN -0.009 nan 8.250 nan 0.000 0.535 175 V N 2.453 122.248 119.914 -0.197 0.000 2.572 175 V HA -0.005 4.111 4.120 -0.006 0.000 0.291 175 V C 0.821 176.777 176.094 -0.231 0.000 1.039 175 V CA -0.196 61.954 62.300 -0.249 0.000 1.055 175 V CB 1.111 32.726 31.823 -0.346 0.000 0.969 175 V HN 0.157 nan 8.190 nan 0.000 0.482 176 S N 6.289 121.900 115.700 -0.148 0.000 2.533 176 S HA 0.163 4.629 4.470 -0.006 0.000 0.282 176 S C -1.169 173.336 174.600 -0.157 0.000 1.304 176 S CA -0.916 57.219 58.200 -0.109 0.000 1.063 176 S CB 0.850 64.078 63.200 0.047 0.000 0.881 176 S HN 0.652 nan 8.310 nan 0.000 0.493 177 P HA -0.029 nan 4.420 nan 0.000 0.223 177 P C 0.167 177.264 177.300 -0.338 0.000 1.144 177 P CA 1.019 63.872 63.100 -0.412 0.000 0.783 177 P CB 0.006 31.325 31.700 -0.634 0.000 0.771 178 F N -3.471 116.513 119.950 0.056 0.000 2.727 178 F HA 0.198 4.721 4.527 -0.007 0.000 0.302 178 F C 1.813 177.674 175.800 0.102 0.000 1.097 178 F CA -0.644 57.391 58.000 0.059 0.000 1.330 178 F CB -1.105 37.922 39.000 0.045 0.000 1.084 178 F HN -0.154 nan 8.300 nan 0.000 0.578 179 F N 0.984 120.981 119.950 0.078 0.000 2.043 179 F HA -0.244 4.279 4.527 -0.006 0.000 0.297 179 F C 2.154 177.976 175.800 0.037 0.000 1.121 179 F CA 1.617 59.641 58.000 0.040 0.000 1.199 179 F CB -0.784 38.202 39.000 -0.023 0.000 0.968 179 F HN -0.161 nan 8.300 nan 0.000 0.478 180 V N 1.498 121.300 119.914 -0.187 0.000 2.233 180 V HA -0.247 3.869 4.120 -0.006 0.000 0.247 180 V C -0.338 175.669 176.094 -0.144 0.000 1.050 180 V CA 2.639 64.775 62.300 -0.273 0.000 1.010 180 V CB -2.042 29.705 31.823 -0.126 0.000 0.637 180 V HN 0.221 nan 8.190 nan 0.000 0.444 181 P HA -0.136 nan 4.420 nan 0.000 0.225 181 P C 1.464 178.766 177.300 0.004 0.000 1.148 181 P CA 1.331 64.440 63.100 0.015 0.000 0.779 181 P CB -0.009 31.748 31.700 0.096 0.000 0.780 182 K N 0.302 120.705 120.400 0.005 0.000 2.211 182 K HA 0.038 4.354 4.320 -0.006 0.000 0.201 182 K C 1.737 178.314 176.600 -0.038 0.000 1.052 182 K CA 0.679 56.974 56.287 0.014 0.000 0.973 182 K CB -0.091 32.464 32.500 0.091 0.000 0.766 182 K HN 0.178 nan 8.250 nan 0.000 0.466 183 I N -1.268 119.221 120.570 -0.135 0.000 3.956 183 I HA 0.208 4.374 4.170 -0.006 0.000 0.333 183 I C -0.285 175.758 176.117 -0.123 0.000 1.302 183 I CA -0.451 60.758 61.300 -0.152 0.000 1.122 183 I CB 0.266 38.088 38.000 -0.296 0.000 1.013 183 I HN -0.150 nan 8.210 nan 0.000 0.405 184 L N 1.407 122.567 121.223 -0.105 0.000 2.367 184 L HA 0.164 4.500 4.340 -0.006 0.000 0.275 184 L C 1.546 178.387 176.870 -0.047 0.000 1.129 184 L CA -0.376 54.418 54.840 -0.076 0.000 0.839 184 L CB 1.841 43.860 42.059 -0.066 0.000 1.133 184 L HN 0.003 nan 8.230 nan 0.000 0.453 185 V N 2.695 122.585 119.914 -0.040 0.000 2.380 185 V HA -0.289 3.827 4.120 -0.006 0.000 0.251 185 V C 2.072 178.153 176.094 -0.022 0.000 1.063 185 V CA 2.207 64.491 62.300 -0.027 0.000 1.055 185 V CB -0.613 31.195 31.823 -0.025 0.000 0.657 185 V HN 1.052 nan 8.190 nan 0.000 0.455 186 N N -0.830 117.854 118.700 -0.027 0.000 2.461 186 N HA -0.072 4.664 4.740 -0.006 0.000 0.188 186 N C 1.400 176.904 175.510 -0.010 0.000 1.134 186 N CA 0.480 53.518 53.050 -0.021 0.000 0.878 186 N CB -0.055 38.413 38.487 -0.030 0.000 0.972 186 N HN 0.318 nan 8.380 nan 0.000 0.456 187 M N 0.605 120.199 119.600 -0.011 0.000 2.254 187 M HA 0.086 4.562 4.480 -0.006 0.000 0.265 187 M C 2.168 178.471 176.300 0.006 0.000 1.066 187 M CA 0.769 56.066 55.300 -0.004 0.000 1.123 187 M CB -0.973 31.621 32.600 -0.010 0.000 1.388 187 M HN 0.306 nan 8.290 nan 0.000 0.425 188 A N 0.490 123.315 122.820 0.008 0.000 1.877 188 A HA -0.021 4.295 4.320 -0.006 0.000 0.216 188 A C 2.440 180.042 177.584 0.030 0.000 1.186 188 A CA 2.122 54.170 52.037 0.018 0.000 0.620 188 A CB -0.865 18.142 19.000 0.011 0.000 0.822 188 A HN 0.460 nan 8.150 nan 0.000 0.443 189 A N -0.544 122.293 122.820 0.028 0.000 1.898 189 A HA 0.152 4.468 4.320 -0.006 0.000 0.216 189 A C 2.413 180.022 177.584 0.041 0.000 1.181 189 A CA 1.887 53.948 52.037 0.040 0.000 0.620 189 A CB -1.379 17.644 19.000 0.038 0.000 0.819 189 A HN 0.721 nan 8.150 nan 0.000 0.442 190 G N -1.020 107.796 108.800 0.026 0.000 2.421 190 G HA2 -0.229 3.727 3.960 -0.006 0.000 0.216 190 G HA3 -0.229 3.727 3.960 -0.006 0.000 0.216 190 G C 1.578 176.493 174.900 0.025 0.000 1.171 190 G CA 0.977 46.090 45.100 0.021 0.000 0.775 190 G HN 0.483 nan 8.290 nan 0.000 0.543 191 Q N 0.079 119.893 119.800 0.024 0.000 2.119 191 Q HA -0.024 4.312 4.340 -0.006 0.000 0.201 191 Q C 2.969 178.995 176.000 0.043 0.000 0.972 191 Q CA 0.932 56.746 55.803 0.018 0.000 0.847 191 Q CB -0.600 28.146 28.738 0.014 0.000 0.903 191 Q HN 0.413 nan 8.270 nan 0.000 0.433 192 V N 0.879 120.849 119.914 0.094 0.000 2.343 192 V HA -0.232 3.884 4.120 -0.006 0.000 0.247 192 V C 2.565 178.788 176.094 0.214 0.000 1.051 192 V CA 1.866 64.289 62.300 0.205 0.000 1.036 192 V CB -0.682 31.251 31.823 0.184 0.000 0.654 192 V HN 0.364 nan 8.190 nan 0.000 0.451 193 S N -0.154 115.620 115.700 0.123 0.000 2.359 193 S HA -0.221 4.245 4.470 -0.006 0.000 0.223 193 S C 1.931 176.570 174.600 0.064 0.000 1.039 193 S CA 2.168 60.427 58.200 0.097 0.000 1.042 193 S CB -0.393 62.842 63.200 0.059 0.000 0.915 193 S HN 0.493 nan 8.310 nan 0.000 0.439 194 I N 0.958 121.542 120.570 0.024 0.000 2.142 194 I HA -0.168 3.998 4.170 -0.006 0.000 0.240 194 I C 2.825 178.900 176.117 -0.070 0.000 1.078 194 I CA 1.675 62.966 61.300 -0.016 0.000 1.343 194 I CB -0.390 37.596 38.000 -0.023 0.000 1.046 194 I HN 0.273 nan 8.210 nan 0.000 0.405 195 R N 0.734 121.149 120.500 -0.141 0.000 2.105 195 R HA -0.196 4.140 4.340 -0.006 0.000 0.239 195 R C 1.432 177.399 176.300 -0.555 0.000 1.135 195 R CA 1.967 57.829 56.100 -0.397 0.000 0.967 195 R CB -0.462 29.489 30.300 -0.583 0.000 0.861 195 R HN 0.418 nan 8.270 nan 0.000 0.442 196 Y N 0.226 120.544 120.300 0.031 0.000 2.531 196 Y HA 0.368 4.914 4.550 -0.006 0.000 0.249 196 Y C -0.081 175.829 175.900 0.017 0.000 1.168 196 Y CA -0.581 57.538 58.100 0.032 0.000 1.226 196 Y CB 0.598 39.090 38.460 0.053 0.000 1.177 196 Y HN -0.157 nan 8.280 nan 0.000 0.527 197 K N 0.962 121.413 120.400 0.085 0.000 3.244 197 K HA -0.174 4.142 4.320 -0.006 0.000 0.270 197 K C -1.063 175.583 176.600 0.076 0.000 1.016 197 K CA 0.514 56.834 56.287 0.055 0.000 0.754 197 K CB -1.882 30.633 32.500 0.026 0.000 1.326 197 K HN 0.434 nan 8.250 nan 0.000 0.465 198 L N 0.957 122.240 121.223 0.099 0.000 2.257 198 L HA 0.247 4.583 4.340 -0.006 0.000 0.290 198 L C 1.376 178.284 176.870 0.063 0.000 1.044 198 L CA -0.276 54.623 54.840 0.099 0.000 0.810 198 L CB 0.903 43.037 42.059 0.126 0.000 1.193 198 L HN 0.057 nan 8.230 nan 0.000 0.425 199 K N 1.834 122.265 120.400 0.051 0.000 2.374 199 K HA 0.202 4.518 4.320 -0.006 0.000 0.202 199 K C 1.014 177.620 176.600 0.010 0.000 1.040 199 K CA -0.198 56.106 56.287 0.028 0.000 1.085 199 K CB 1.220 33.736 32.500 0.026 0.000 0.873 199 K HN 0.771 nan 8.250 nan 0.000 0.539 200 G N 2.413 111.218 108.800 0.008 0.000 2.489 200 G HA2 0.165 4.121 3.960 -0.006 0.000 0.271 200 G HA3 0.165 4.121 3.960 -0.006 0.000 0.271 200 G C -2.443 172.413 174.900 -0.073 0.000 1.427 200 G CA -0.943 44.138 45.100 -0.031 0.000 1.057 200 G HN -0.111 nan 8.290 nan 0.000 0.532 201 P HA 0.018 nan 4.420 nan 0.000 0.261 201 P C -0.541 176.679 177.300 -0.133 0.000 1.173 201 P CA 0.349 63.296 63.100 -0.254 0.000 0.760 201 P CB 0.369 31.714 31.700 -0.592 0.000 0.783 202 N N 2.668 121.327 118.700 -0.068 0.000 2.531 202 N HA 0.163 4.899 4.740 -0.006 0.000 0.268 202 N C -1.602 173.959 175.510 0.084 0.000 1.023 202 N CA -0.176 52.883 53.050 0.015 0.000 0.896 202 N CB 0.635 39.128 38.487 0.010 0.000 1.233 202 N HN 0.487 nan 8.380 nan 0.000 0.512 203 H N 2.019 121.089 119.070 0.000 0.000 2.771 203 H HA 0.629 5.181 4.556 -0.007 0.000 0.361 203 H C -1.800 173.565 175.328 0.063 0.000 1.108 203 H CA -0.529 55.549 56.048 0.050 0.000 1.201 203 H CB 2.149 31.991 29.762 0.134 0.000 1.681 203 H HN 0.584 nan 8.280 nan 0.000 0.534 204 A N 5.061 127.760 122.820 -0.201 0.000 2.414 204 A HA 0.451 4.767 4.320 -0.006 0.000 0.286 204 A C -0.697 176.792 177.584 -0.159 0.000 1.073 204 A CA -0.529 51.450 52.037 -0.098 0.000 0.727 204 A CB 0.571 19.541 19.000 -0.051 0.000 1.215 204 A HN 0.435 nan 8.150 nan 0.000 0.430 205 V N 0.106 119.994 119.914 -0.044 0.000 2.863 205 V HA 0.911 5.027 4.120 -0.006 0.000 0.307 205 V C 0.295 176.403 176.094 0.023 0.000 1.061 205 V CA -0.340 61.953 62.300 -0.010 0.000 1.024 205 V CB 1.714 33.591 31.823 0.090 0.000 1.049 205 V HN 1.071 nan 8.190 nan 0.000 0.471 206 S N 1.659 117.376 115.700 0.030 0.000 2.496 206 S HA 0.536 5.002 4.470 -0.006 0.000 0.221 206 S C 0.002 174.645 174.600 0.072 0.000 1.260 206 S CA 0.134 58.359 58.200 0.043 0.000 1.181 206 S CB 0.384 63.592 63.200 0.013 0.000 1.136 206 S HN 1.331 nan 8.310 nan 0.000 0.467 207 T N 1.311 115.940 114.554 0.125 0.000 3.584 207 T HA 0.698 5.044 4.350 -0.006 0.000 0.259 207 T C 0.935 175.729 174.700 0.156 0.000 1.009 207 T CA 0.251 62.452 62.100 0.169 0.000 1.103 207 T CB 0.223 69.284 68.868 0.320 0.000 1.099 207 T HN 1.372 nan 8.240 nan 0.000 0.539 208 A N 0.825 123.716 122.820 0.119 0.000 5.391 208 A HA -0.313 4.003 4.320 -0.006 0.000 0.315 208 A C 1.956 179.611 177.584 0.118 0.000 1.874 208 A CA 1.339 53.451 52.037 0.125 0.000 0.714 208 A CB -1.972 17.157 19.000 0.214 0.000 1.335 208 A HN 1.069 nan 8.150 nan 0.000 0.382 209 C N -0.563 118.846 119.300 0.181 0.000 2.437 209 C HA 0.160 4.616 4.460 -0.006 0.000 0.283 209 C C 2.543 177.590 174.990 0.095 0.000 1.424 209 C CA 1.439 60.570 59.018 0.187 0.000 1.782 209 C CB -1.757 26.209 27.740 0.376 0.000 1.833 209 C HN 0.789 nan 8.230 nan 0.000 0.532 210 T N 0.341 114.920 114.554 0.042 0.000 3.081 210 T HA -0.043 4.303 4.350 -0.006 0.000 0.250 210 T C 1.725 176.383 174.700 -0.070 0.000 1.100 210 T CA 0.938 62.984 62.100 -0.089 0.000 1.038 210 T CB -0.232 68.556 68.868 -0.134 0.000 0.962 210 T HN 0.545 nan 8.240 nan 0.000 0.516 211 T N 1.772 116.361 114.554 0.058 0.000 2.620 211 T HA -0.169 4.177 4.350 -0.006 0.000 0.267 211 T C 2.306 177.045 174.700 0.064 0.000 1.044 211 T CA 1.817 63.978 62.100 0.103 0.000 1.161 211 T CB -0.810 68.101 68.868 0.072 0.000 0.862 211 T HN 0.541 nan 8.240 nan 0.000 0.438 212 G N 0.518 109.321 108.800 0.007 0.000 2.422 212 G HA2 0.053 4.009 3.960 -0.006 0.000 0.218 212 G HA3 0.053 4.009 3.960 -0.006 0.000 0.218 212 G C 1.786 176.661 174.900 -0.042 0.000 1.140 212 G CA 0.894 45.982 45.100 -0.020 0.000 0.775 212 G HN 0.607 nan 8.290 nan 0.000 0.545 213 A N 0.541 123.314 122.820 -0.077 0.000 1.898 213 A HA -0.006 4.310 4.320 -0.006 0.000 0.216 213 A C 2.017 179.558 177.584 -0.072 0.000 1.181 213 A CA 1.699 53.671 52.037 -0.109 0.000 0.620 213 A CB -0.741 18.168 19.000 -0.152 0.000 0.819 213 A HN 0.522 nan 8.150 nan 0.000 0.442 214 H N -0.589 118.512 119.070 0.052 0.000 2.352 214 H HA -0.041 4.511 4.556 -0.007 0.000 0.299 214 H C 2.492 177.822 175.328 0.003 0.000 1.097 214 H CA 1.047 57.156 56.048 0.102 0.000 1.311 214 H CB 0.012 29.872 29.762 0.162 0.000 1.377 214 H HN 0.556 nan 8.280 nan 0.000 0.504 215 A N 0.425 123.328 122.820 0.139 0.000 1.877 215 A HA -0.156 4.160 4.320 -0.006 0.000 0.216 215 A C 2.584 180.172 177.584 0.007 0.000 1.186 215 A CA 1.711 53.807 52.037 0.099 0.000 0.620 215 A CB -0.797 18.251 19.000 0.080 0.000 0.822 215 A HN 0.225 nan 8.150 nan 0.000 0.443 216 V N -0.156 119.719 119.914 -0.065 0.000 2.307 216 V HA -0.152 3.964 4.120 -0.006 0.000 0.245 216 V C 2.832 178.800 176.094 -0.210 0.000 1.045 216 V CA 1.937 64.171 62.300 -0.111 0.000 1.024 216 V CB -1.486 30.262 31.823 -0.124 0.000 0.651 216 V HN 0.610 nan 8.190 nan 0.000 0.449 217 G N -0.130 108.371 108.800 -0.498 0.000 2.421 217 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.216 217 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.216 217 G C 1.232 175.765 174.900 -0.612 0.000 1.171 217 G CA 1.059 45.481 45.100 -1.131 0.000 0.775 217 G HN 0.508 nan 8.290 nan 0.000 0.543 218 D N 0.715 120.910 120.400 -0.343 0.000 2.123 218 D HA -0.069 4.567 4.640 -0.006 0.000 0.196 218 D C 2.843 178.921 176.300 -0.370 0.000 0.992 218 D CA 1.219 55.035 54.000 -0.307 0.000 0.833 218 D CB -0.341 40.336 40.800 -0.204 0.000 0.954 218 D HN 0.253 nan 8.370 nan 0.000 0.455 219 S N 0.422 116.081 115.700 -0.068 0.000 2.356 219 S HA -0.146 4.320 4.470 -0.006 0.000 0.223 219 S C 1.685 176.320 174.600 0.057 0.000 1.032 219 S CA 0.544 58.800 58.200 0.093 0.000 1.005 219 S CB -0.434 62.815 63.200 0.083 0.000 0.867 219 S HN 0.294 nan 8.310 nan 0.000 0.449 220 F N 3.283 123.159 119.950 -0.124 0.000 2.091 220 F HA -0.183 4.340 4.527 -0.007 0.000 0.299 220 F C 2.224 177.977 175.800 -0.078 0.000 1.103 220 F CA 1.498 59.438 58.000 -0.100 0.000 1.228 220 F CB -0.328 38.597 39.000 -0.126 0.000 0.984 220 F HN -0.007 nan 8.300 nan 0.000 0.477 221 R N -0.248 119.979 120.500 -0.456 0.000 2.075 221 R HA -0.133 4.203 4.340 -0.006 0.000 0.232 221 R C 2.258 178.362 176.300 -0.326 0.000 1.126 221 R CA 1.424 57.206 56.100 -0.529 0.000 0.963 221 R CB -1.458 28.609 30.300 -0.388 0.000 0.858 221 R HN 0.335 nan 8.270 nan 0.000 0.435 222 F N 1.037 120.886 119.950 -0.168 0.000 2.134 222 F HA -0.107 4.416 4.527 -0.006 0.000 0.299 222 F C 2.387 178.132 175.800 -0.093 0.000 1.097 222 F CA 0.750 58.678 58.000 -0.120 0.000 1.264 222 F CB -0.707 38.221 39.000 -0.121 0.000 1.001 222 F HN -0.088 nan 8.300 nan 0.000 0.479 223 I N -0.471 120.131 120.570 0.053 0.000 2.202 223 I HA -0.258 3.908 4.170 -0.006 0.000 0.242 223 I C 2.618 178.671 176.117 -0.107 0.000 1.091 223 I CA 1.159 62.445 61.300 -0.025 0.000 1.368 223 I CB -0.830 37.154 38.000 -0.028 0.000 1.058 223 I HN 0.061 nan 8.210 nan 0.000 0.410 224 A N 0.016 122.680 122.820 -0.259 0.000 1.940 224 A HA -0.321 3.996 4.320 -0.006 0.000 0.219 224 A C 2.163 179.561 177.584 -0.309 0.000 1.176 224 A CA 2.194 53.955 52.037 -0.460 0.000 0.631 224 A CB -1.045 17.383 19.000 -0.953 0.000 0.814 224 A HN 0.542 nan 8.150 nan 0.000 0.446 225 H N -1.684 117.251 119.070 -0.224 0.000 2.470 225 H HA 0.231 4.783 4.556 -0.007 0.000 0.289 225 H C 1.418 176.721 175.328 -0.042 0.000 1.033 225 H CA 1.579 57.576 56.048 -0.085 0.000 1.331 225 H CB 0.055 29.804 29.762 -0.022 0.000 1.414 225 H HN 0.596 nan 8.280 nan 0.000 0.545 226 G N -0.294 108.512 108.800 0.011 0.000 2.168 226 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.197 226 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.197 226 G C 0.720 175.641 174.900 0.036 0.000 0.997 226 G CA 0.419 45.508 45.100 -0.019 0.000 0.658 226 G HN 0.502 nan 8.290 nan 0.000 0.513 227 D N 0.446 120.910 120.400 0.107 0.000 2.224 227 D HA 0.464 5.100 4.640 -0.006 0.000 0.205 227 D C 1.376 177.667 176.300 -0.016 0.000 0.965 227 D CA 1.868 55.903 54.000 0.058 0.000 0.852 227 D CB 0.226 41.059 40.800 0.054 0.000 0.947 227 D HN 1.004 nan 8.370 nan 0.000 0.494 228 A N -0.512 122.300 122.820 -0.013 0.000 2.606 228 A HA 0.413 4.729 4.320 -0.006 0.000 0.293 228 A C -0.635 176.898 177.584 -0.086 0.000 1.082 228 A CA -0.697 51.311 52.037 -0.048 0.000 0.685 228 A CB 1.334 20.301 19.000 -0.055 0.000 1.284 228 A HN -0.186 nan 8.150 nan 0.000 0.408 229 D N -0.500 119.806 120.400 -0.157 0.000 2.355 229 D HA 0.254 4.890 4.640 -0.006 0.000 0.206 229 D C 0.125 176.147 176.300 -0.463 0.000 1.010 229 D CA 1.244 55.052 54.000 -0.321 0.000 0.875 229 D CB 0.780 41.313 40.800 -0.445 0.000 0.966 229 D HN 0.262 nan 8.370 nan 0.000 0.512 230 V N 1.354 121.055 119.914 -0.354 0.000 2.841 230 V HA 0.444 4.560 4.120 -0.006 0.000 0.310 230 V C -0.578 175.438 176.094 -0.130 0.000 1.090 230 V CA -0.720 61.377 62.300 -0.338 0.000 0.930 230 V CB 2.735 34.230 31.823 -0.547 0.000 1.014 230 V HN -0.095 nan 8.190 nan 0.000 0.425 231 M N 3.359 122.907 119.600 -0.087 0.000 2.327 231 M HA 0.493 4.969 4.480 -0.006 0.000 0.298 231 M C -0.961 175.336 176.300 -0.005 0.000 1.065 231 M CA -0.575 54.717 55.300 -0.012 0.000 0.916 231 M CB 1.989 34.607 32.600 0.030 0.000 1.630 231 M HN 0.369 nan 8.290 nan 0.000 0.442 232 V N 3.064 122.991 119.914 0.021 0.000 2.339 232 V HA 0.646 4.762 4.120 -0.006 0.000 0.261 232 V C 0.245 176.349 176.094 0.018 0.000 1.058 232 V CA -0.479 61.829 62.300 0.013 0.000 0.897 232 V CB 0.532 32.368 31.823 0.021 0.000 1.052 232 V HN 0.902 nan 8.190 nan 0.000 0.480 233 A N 3.994 126.815 122.820 0.002 0.000 2.355 233 A HA 1.037 5.353 4.320 -0.006 0.000 0.317 233 A C 0.275 177.850 177.584 -0.016 0.000 1.094 233 A CA 0.162 52.206 52.037 0.010 0.000 0.764 233 A CB 1.906 20.912 19.000 0.010 0.000 1.230 233 A HN 1.189 nan 8.150 nan 0.000 0.448 234 G N -0.344 108.452 108.800 -0.006 0.000 2.356 234 G HA2 0.650 4.606 3.960 -0.006 0.000 0.281 234 G HA3 0.650 4.606 3.960 -0.006 0.000 0.281 234 G C -0.412 174.476 174.900 -0.019 0.000 1.246 234 G CA 0.335 45.416 45.100 -0.032 0.000 0.889 234 G HN 1.829 nan 8.290 nan 0.000 0.486 235 G N -1.654 107.122 108.800 -0.040 0.000 2.704 235 G HA2 0.748 4.705 3.960 -0.006 0.000 0.293 235 G HA3 0.748 4.705 3.960 -0.006 0.000 0.293 235 G C -1.368 173.501 174.900 -0.051 0.000 1.421 235 G CA 0.537 45.617 45.100 -0.032 0.000 0.870 235 G HN 1.263 nan 8.290 nan 0.000 0.492 236 T N -0.215 114.314 114.554 -0.042 0.000 2.923 236 T HA 0.657 5.004 4.350 -0.006 0.000 0.311 236 T C -2.187 172.488 174.700 -0.040 0.000 1.183 236 T CA -0.531 61.537 62.100 -0.053 0.000 1.020 236 T CB 2.193 71.031 68.868 -0.050 0.000 1.165 236 T HN 0.463 nan 8.240 nan 0.000 0.482 237 D N 0.910 121.281 120.400 -0.048 0.000 2.706 237 D HA 0.439 5.075 4.640 -0.006 0.000 0.225 237 D C -1.585 174.696 176.300 -0.032 0.000 1.241 237 D CA -0.245 53.733 54.000 -0.036 0.000 0.784 237 D CB 2.328 43.097 40.800 -0.051 0.000 1.521 237 D HN 0.412 nan 8.370 nan 0.000 0.461 238 S N 1.275 116.971 115.700 -0.007 0.000 2.383 238 S HA 0.333 4.799 4.470 -0.006 0.000 0.196 238 S C -0.284 174.333 174.600 0.029 0.000 1.364 238 S CA -0.436 57.772 58.200 0.012 0.000 1.212 238 S CB -0.229 62.995 63.200 0.040 0.000 1.171 238 S HN 0.523 nan 8.310 nan 0.000 0.456 239 C N 4.315 123.618 119.300 0.005 0.000 2.778 239 C HA 0.444 4.900 4.460 -0.006 0.000 0.294 239 C C 0.516 175.533 174.990 0.044 0.000 1.331 239 C CA -0.483 58.554 59.018 0.032 0.000 1.741 239 C CB -1.852 25.890 27.740 0.005 0.000 2.106 239 C HN 0.766 nan 8.230 nan 0.000 0.603 240 I N 2.757 123.355 120.570 0.047 0.000 2.278 240 I HA 0.274 4.440 4.170 -0.006 0.000 0.296 240 I C 0.428 176.672 176.117 0.213 0.000 1.121 240 I CA 0.791 62.133 61.300 0.069 0.000 1.267 240 I CB -0.024 37.950 38.000 -0.043 0.000 1.447 240 I HN 0.353 nan 8.210 nan 0.000 0.509 241 S N 5.324 121.169 115.700 0.243 0.000 2.570 241 S HA 0.515 4.981 4.470 -0.006 0.000 0.270 241 S C -2.491 172.273 174.600 0.274 0.000 1.149 241 S CA -1.251 57.102 58.200 0.255 0.000 0.837 241 S CB 2.231 65.514 63.200 0.138 0.000 1.124 241 S HN 0.117 nan 8.310 nan 0.000 0.465 242 P HA -0.096 nan 4.420 nan 0.000 0.215 242 P C 1.647 179.007 177.300 0.099 0.000 1.157 242 P CA 0.765 63.912 63.100 0.079 0.000 0.874 242 P CB 0.021 31.635 31.700 -0.143 0.000 0.790 243 L N -0.694 120.568 121.223 0.066 0.000 2.027 243 L HA -0.111 4.225 4.340 -0.006 0.000 0.206 243 L C 2.489 179.414 176.870 0.090 0.000 1.074 243 L CA 2.073 56.949 54.840 0.061 0.000 0.745 243 L CB -1.655 40.429 42.059 0.042 0.000 0.898 243 L HN -0.073 nan 8.230 nan 0.000 0.433 244 S N -0.863 114.915 115.700 0.129 0.000 2.353 244 S HA -0.194 4.272 4.470 -0.006 0.000 0.222 244 S C 2.078 176.851 174.600 0.290 0.000 1.035 244 S CA 1.807 60.130 58.200 0.204 0.000 1.025 244 S CB -0.451 62.876 63.200 0.211 0.000 0.902 244 S HN 0.467 nan 8.310 nan 0.000 0.440 245 L N 1.102 122.456 121.223 0.219 0.000 2.083 245 L HA -0.050 4.286 4.340 -0.006 0.000 0.209 245 L C 2.983 179.946 176.870 0.154 0.000 1.083 245 L CA 1.068 56.014 54.840 0.178 0.000 0.752 245 L CB -0.776 41.352 42.059 0.117 0.000 0.899 245 L HN 0.442 nan 8.230 nan 0.000 0.433 246 A N 0.591 123.487 122.820 0.126 0.000 1.865 246 A HA -0.186 4.131 4.320 -0.006 0.000 0.217 246 A C 2.430 180.056 177.584 0.070 0.000 1.191 246 A CA 1.994 54.082 52.037 0.085 0.000 0.623 246 A CB -1.448 17.589 19.000 0.062 0.000 0.826 246 A HN 0.433 nan 8.150 nan 0.000 0.444 247 G N -1.385 107.444 108.800 0.048 0.000 2.476 247 G HA2 -0.221 3.736 3.960 -0.006 0.000 0.218 247 G HA3 -0.221 3.736 3.960 -0.006 0.000 0.218 247 G C 1.392 176.243 174.900 -0.082 0.000 1.164 247 G CA 1.233 46.302 45.100 -0.052 0.000 0.768 247 G HN 0.427 nan 8.290 nan 0.000 0.560 248 F N 1.289 121.256 119.950 0.028 0.000 2.186 248 F HA 0.017 4.540 4.527 -0.007 0.000 0.299 248 F C 3.117 178.972 175.800 0.091 0.000 1.090 248 F CA 1.301 59.349 58.000 0.079 0.000 1.307 248 F CB -0.284 38.786 39.000 0.116 0.000 1.019 248 F HN 0.076 nan 8.300 nan 0.000 0.489 249 S N -0.382 115.435 115.700 0.195 0.000 2.370 249 S HA -0.176 4.290 4.470 -0.006 0.000 0.226 249 S C 2.211 176.873 174.600 0.104 0.000 1.033 249 S CA 1.046 59.309 58.200 0.104 0.000 1.011 249 S CB -0.180 63.056 63.200 0.060 0.000 0.852 249 S HN 0.216 nan 8.310 nan 0.000 0.457 250 R N 0.424 120.976 120.500 0.087 0.000 2.119 250 R HA 0.179 4.515 4.340 -0.006 0.000 0.222 250 R C 2.145 178.497 176.300 0.088 0.000 1.088 250 R CA 1.054 57.194 56.100 0.068 0.000 0.984 250 R CB -0.430 29.893 30.300 0.039 0.000 0.884 250 R HN 0.420 nan 8.270 nan 0.000 0.447 251 A N 0.468 123.353 122.820 0.109 0.000 1.973 251 A HA 0.204 4.521 4.320 -0.006 0.000 0.210 251 A C 1.711 179.464 177.584 0.281 0.000 1.200 251 A CA 0.953 53.079 52.037 0.148 0.000 0.707 251 A CB 0.002 19.036 19.000 0.056 0.000 0.862 251 A HN 0.290 nan 8.150 nan 0.000 0.461 252 R N -0.788 119.937 120.500 0.375 0.000 3.415 252 R HA 0.846 5.182 4.340 -0.006 0.000 0.229 252 R C -0.196 176.293 176.300 0.316 0.000 1.651 252 R CA 0.011 56.375 56.100 0.441 0.000 0.998 252 R CB -0.237 nan 30.300 nan 0.000 1.805 252 R HN 1.255 nan 8.270 nan 0.000 0.534 253 A N 0.816 123.841 122.820 0.342 0.000 2.328 253 A HA 0.664 4.980 4.320 -0.006 0.000 0.318 253 A C -0.686 176.947 177.584 0.081 0.000 1.347 253 A CA -0.400 51.749 52.037 0.187 0.000 0.842 253 A CB -0.055 19.037 19.000 0.153 0.000 1.148 253 A HN 0.512 nan 8.150 nan 0.000 0.499 254 L N 1.818 122.972 121.223 -0.115 0.000 2.312 254 L HA 0.377 4.713 4.340 -0.006 0.000 0.281 254 L C 1.103 177.856 176.870 -0.194 0.000 1.070 254 L CA -0.470 54.136 54.840 -0.389 0.000 0.805 254 L CB 1.815 43.630 42.059 -0.406 0.000 1.174 254 L HN 0.710 nan 8.230 nan 0.000 0.434 255 S N 0.515 116.097 115.700 -0.197 0.000 2.560 255 S HA 0.014 4.480 4.470 -0.006 0.000 0.284 255 S C 1.076 175.611 174.600 -0.108 0.000 1.327 255 S CA -0.062 58.067 58.200 -0.118 0.000 1.055 255 S CB 0.611 63.744 63.200 -0.112 0.000 0.868 255 S HN 0.768 nan 8.310 nan 0.000 0.506 256 T N 1.523 116.035 114.554 -0.070 0.000 3.069 256 T HA 0.186 4.532 4.350 -0.006 0.000 0.252 256 T C 0.556 175.224 174.700 -0.052 0.000 1.053 256 T CA -0.494 61.573 62.100 -0.056 0.000 0.964 256 T CB -0.350 68.499 68.868 -0.032 0.000 1.005 256 T HN 0.529 nan 8.240 nan 0.000 0.532 257 N N 2.927 121.590 118.700 -0.061 0.000 2.440 257 N HA 0.003 4.739 4.740 -0.006 0.000 0.265 257 N C 1.291 176.766 175.510 -0.059 0.000 1.239 257 N CA 0.503 53.518 53.050 -0.058 0.000 0.909 257 N CB 1.234 39.679 38.487 -0.070 0.000 1.066 257 N HN 0.491 nan 8.380 nan 0.000 0.474 258 S N 1.364 117.037 115.700 -0.045 0.000 2.527 258 S HA -0.053 4.413 4.470 -0.006 0.000 0.222 258 S C 0.415 174.990 174.600 -0.041 0.000 0.985 258 S CA -0.079 58.097 58.200 -0.040 0.000 0.921 258 S CB 0.185 63.370 63.200 -0.026 0.000 0.772 258 S HN 0.565 nan 8.310 nan 0.000 0.529 259 D N 3.272 123.645 120.400 -0.045 0.000 2.380 259 D HA 0.286 4.922 4.640 -0.006 0.000 0.230 259 D C -1.530 174.737 176.300 -0.055 0.000 1.154 259 D CA -2.466 51.508 54.000 -0.045 0.000 0.859 259 D CB 1.653 42.426 40.800 -0.044 0.000 1.045 259 D HN 0.068 nan 8.370 nan 0.000 0.495 260 P HA -0.087 nan 4.420 nan 0.000 0.226 260 P C 0.717 177.984 177.300 -0.054 0.000 1.153 260 P CA 0.705 63.772 63.100 -0.054 0.000 0.777 260 P CB 0.448 32.125 31.700 -0.039 0.000 0.794 261 K N -0.596 119.773 120.400 -0.051 0.000 2.296 261 K HA 0.104 4.420 4.320 -0.006 0.000 0.200 261 K C 1.762 178.319 176.600 -0.072 0.000 1.048 261 K CA 0.743 56.998 56.287 -0.053 0.000 0.966 261 K CB -0.020 32.455 32.500 -0.043 0.000 0.754 261 K HN 0.231 nan 8.250 nan 0.000 0.466 262 L N -1.084 120.089 121.223 -0.083 0.000 2.878 262 L HA 0.227 4.563 4.340 -0.006 0.000 0.253 262 L C 2.047 178.839 176.870 -0.130 0.000 1.135 262 L CA -0.039 54.731 54.840 -0.116 0.000 0.943 262 L CB 0.131 42.121 42.059 -0.115 0.000 1.307 262 L HN -0.005 nan 8.230 nan 0.000 0.545 263 A N -0.132 122.626 122.820 -0.105 0.000 1.884 263 A HA -0.274 4.042 4.320 -0.006 0.000 0.219 263 A C 1.329 178.845 177.584 -0.114 0.000 1.197 263 A CA 1.570 53.545 52.037 -0.104 0.000 0.637 263 A CB -0.841 18.101 19.000 -0.097 0.000 0.827 263 A HN 0.468 nan 8.150 nan 0.000 0.450 264 C N 1.573 120.807 119.300 -0.110 0.000 2.265 264 C HA 0.664 5.120 4.460 -0.006 0.000 0.332 264 C C 0.345 175.253 174.990 -0.135 0.000 1.248 264 C CA -0.731 58.221 59.018 -0.110 0.000 1.727 264 C CB -0.896 26.793 27.740 -0.086 0.000 2.348 264 C HN 0.510 nan 8.230 nan 0.000 0.519 265 R N 4.556 124.961 120.500 -0.159 0.000 2.718 265 R HA 0.318 4.654 4.340 -0.006 0.000 0.266 265 R C -3.197 172.994 176.300 -0.183 0.000 1.776 265 R CA -1.407 54.591 56.100 -0.171 0.000 1.567 265 R CB 0.249 30.388 30.300 -0.269 0.000 1.336 265 R HN 0.366 nan 8.270 nan 0.000 0.619 266 P HA 0.034 nan 4.420 nan 0.000 0.265 266 P C -0.330 176.647 177.300 -0.539 0.000 1.193 266 P CA 0.156 62.931 63.100 -0.542 0.000 0.765 266 P CB 0.041 31.332 31.700 -0.682 0.000 0.823 267 F N -1.840 117.841 119.950 -0.447 0.000 2.656 267 F HA -0.236 4.287 4.527 -0.007 0.000 0.381 267 F C 0.918 176.234 175.800 -0.807 0.000 0.603 267 F CA 0.779 58.228 58.000 -0.918 0.000 1.335 267 F CB -2.364 36.007 39.000 -1.049 0.000 1.836 267 F HN 0.500 nan 8.300 nan 0.000 0.290 268 H N 2.843 121.691 119.070 -0.369 0.000 2.511 268 H HA 0.205 4.757 4.556 -0.006 0.000 0.346 268 H C -1.760 173.456 175.328 -0.186 0.000 1.128 268 H CA -1.338 54.572 56.048 -0.229 0.000 1.342 268 H CB 1.706 31.380 29.762 -0.147 0.000 1.470 268 H HN -0.239 nan 8.280 nan 0.000 0.546 269 P HA -0.121 nan 4.420 nan 0.000 0.217 269 P C 0.551 177.909 177.300 0.096 0.000 1.148 269 P CA 1.732 64.792 63.100 -0.067 0.000 0.828 269 P CB 0.272 31.889 31.700 -0.140 0.000 0.783 270 K N -0.476 120.126 120.400 0.336 0.000 2.417 270 K HA 0.069 4.385 4.320 -0.006 0.000 0.196 270 K C 0.636 177.276 176.600 0.066 0.000 1.023 270 K CA -0.233 56.165 56.287 0.186 0.000 1.122 270 K CB -0.012 32.585 32.500 0.162 0.000 0.850 270 K HN 0.284 nan 8.250 nan 0.000 0.521 271 R N 2.043 122.575 120.500 0.054 0.000 2.583 271 R HA -0.057 4.279 4.340 -0.006 0.000 0.274 271 R C -0.657 175.635 176.300 -0.013 0.000 0.998 271 R CA 0.778 56.862 56.100 -0.027 0.000 1.081 271 R CB -0.009 30.250 30.300 -0.069 0.000 0.940 271 R HN -0.010 nan 8.270 nan 0.000 0.413 272 D N 0.968 121.353 120.400 -0.025 0.000 2.822 272 D HA 0.260 4.896 4.640 -0.006 0.000 0.327 272 D C 0.094 176.390 176.300 -0.007 0.000 1.577 272 D CA 0.028 54.022 54.000 -0.009 0.000 0.785 272 D CB 0.631 41.423 40.800 -0.013 0.000 1.199 272 D HN 0.963 nan 8.370 nan 0.000 0.443 273 G N -0.003 108.802 108.800 0.008 0.000 2.406 273 G HA2 0.285 4.241 3.960 -0.006 0.000 0.680 273 G HA3 0.285 4.241 3.960 -0.006 0.000 0.680 273 G C -0.540 174.383 174.900 0.039 0.000 1.338 273 G CA -0.782 44.342 45.100 0.040 0.000 0.941 273 G HN 0.436 nan 8.290 nan 0.000 0.633 274 F N -0.322 119.627 119.950 -0.003 0.000 2.375 274 F HA 0.825 5.348 4.527 -0.006 0.000 0.313 274 F C 0.181 175.960 175.800 -0.035 0.000 1.176 274 F CA -1.266 56.721 58.000 -0.022 0.000 1.142 274 F CB 1.267 40.294 39.000 0.045 0.000 1.275 274 F HN 0.413 nan 8.300 nan 0.000 0.544 275 V N 3.991 123.937 119.914 0.053 0.000 2.448 275 V HA 0.239 4.355 4.120 -0.006 0.000 0.295 275 V C 0.039 176.166 176.094 0.054 0.000 1.025 275 V CA -0.881 61.363 62.300 -0.093 0.000 0.859 275 V CB 1.459 33.232 31.823 -0.083 0.000 0.988 275 V HN 0.960 nan 8.190 nan 0.000 0.431 276 M N 4.101 123.635 119.600 -0.110 0.000 2.200 276 M HA 0.547 5.023 4.480 -0.006 0.000 0.355 276 M C 0.453 176.683 176.300 -0.116 0.000 1.283 276 M CA 0.299 55.570 55.300 -0.048 0.000 1.124 276 M CB 0.588 33.084 32.600 -0.173 0.000 1.625 276 M HN 0.813 nan 8.290 nan 0.000 0.463 277 G N 3.588 112.342 108.800 -0.076 0.000 2.788 277 G HA2 0.700 4.656 3.960 -0.006 0.000 0.293 277 G HA3 0.700 4.656 3.960 -0.006 0.000 0.293 277 G C -1.724 173.112 174.900 -0.107 0.000 1.305 277 G CA -0.682 44.355 45.100 -0.105 0.000 1.005 277 G HN 0.795 nan 8.290 nan 0.000 0.496 278 E N -1.918 118.230 120.200 -0.086 0.000 2.416 278 E HA 0.779 5.125 4.350 -0.006 0.000 0.273 278 E C -0.197 176.364 176.600 -0.064 0.000 0.935 278 E CA -0.840 55.522 56.400 -0.064 0.000 0.784 278 E CB 2.328 32.011 29.700 -0.028 0.000 1.301 278 E HN 1.531 nan 8.360 nan 0.000 0.454 279 G N -0.499 108.251 108.800 -0.084 0.000 2.369 279 G HA2 0.471 4.427 3.960 -0.006 0.000 0.293 279 G HA3 0.471 4.427 3.960 -0.006 0.000 0.293 279 G C -1.760 173.058 174.900 -0.136 0.000 1.301 279 G CA -0.379 44.644 45.100 -0.129 0.000 0.913 279 G HN 0.995 nan 8.290 nan 0.000 0.540 280 A N -1.191 121.526 122.820 -0.171 0.000 2.515 280 A HA 1.100 5.416 4.320 -0.006 0.000 0.298 280 A C -0.179 177.311 177.584 -0.156 0.000 1.059 280 A CA 0.450 52.395 52.037 -0.153 0.000 0.698 280 A CB 1.562 20.464 19.000 -0.164 0.000 1.289 280 A HN 2.572 nan 8.150 nan 0.000 0.404 281 A N 0.927 123.664 122.820 -0.139 0.000 2.422 281 A HA 0.760 5.076 4.320 -0.006 0.000 0.302 281 A C -1.260 176.252 177.584 -0.121 0.000 1.041 281 A CA -0.490 51.458 52.037 -0.149 0.000 0.708 281 A CB 1.512 20.396 19.000 -0.193 0.000 1.257 281 A HN 1.475 nan 8.150 nan 0.000 0.414 282 V N 2.666 122.511 119.914 -0.114 0.000 2.709 282 V HA 0.577 4.693 4.120 -0.006 0.000 0.308 282 V C -1.111 174.931 176.094 -0.087 0.000 1.062 282 V CA -0.443 61.804 62.300 -0.089 0.000 0.901 282 V CB 1.667 33.442 31.823 -0.080 0.000 1.003 282 V HN 0.786 nan 8.190 nan 0.000 0.425 283 L N 4.205 125.385 121.223 -0.073 0.000 2.362 283 L HA 0.654 4.991 4.340 -0.006 0.000 0.271 283 L C -0.279 176.564 176.870 -0.045 0.000 1.002 283 L CA -0.551 54.249 54.840 -0.066 0.000 0.818 283 L CB 2.077 44.090 42.059 -0.078 0.000 1.298 283 L HN 0.375 nan 8.230 nan 0.000 0.420 284 V N 3.975 123.868 119.914 -0.035 0.000 2.348 284 V HA 0.355 4.471 4.120 -0.006 0.000 0.270 284 V C -0.151 175.908 176.094 -0.058 0.000 1.037 284 V CA -0.414 61.860 62.300 -0.045 0.000 0.872 284 V CB 1.006 32.803 31.823 -0.042 0.000 1.002 284 V HN 0.395 nan 8.190 nan 0.000 0.464 285 L N 4.854 126.040 121.223 -0.062 0.000 2.325 285 L HA 0.646 4.982 4.340 -0.006 0.000 0.279 285 L C 0.021 176.820 176.870 -0.117 0.000 1.054 285 L CA 0.278 55.085 54.840 -0.055 0.000 0.804 285 L CB 1.421 43.475 42.059 -0.008 0.000 1.200 285 L HN 0.737 nan 8.230 nan 0.000 0.436 286 E N 1.121 121.253 120.200 -0.113 0.000 2.343 286 E HA 0.215 4.561 4.350 -0.006 0.000 0.278 286 E C -1.317 175.219 176.600 -0.106 0.000 0.910 286 E CA -0.717 55.561 56.400 -0.203 0.000 0.757 286 E CB 1.536 31.094 29.700 -0.237 0.000 1.218 286 E HN 0.513 nan 8.360 nan 0.000 0.435 287 E N 3.012 123.127 120.200 -0.142 0.000 2.392 287 E HA -0.070 4.276 4.350 -0.006 0.000 0.264 287 E C 0.006 176.635 176.600 0.049 0.000 1.024 287 E CA 0.215 56.600 56.400 -0.025 0.000 0.903 287 E CB 0.569 30.241 29.700 -0.047 0.000 0.963 287 E HN 0.699 nan 8.360 nan 0.000 0.432 288 Y N 5.063 125.357 120.300 -0.010 0.000 2.097 288 Y HA -0.250 4.296 4.550 -0.006 0.000 0.282 288 Y C 1.810 177.714 175.900 0.006 0.000 1.152 288 Y CA 2.233 60.333 58.100 0.000 0.000 1.136 288 Y CB 0.247 38.713 38.460 0.011 0.000 0.975 288 Y HN 0.574 nan 8.280 nan 0.000 0.498 289 E N -0.770 119.475 120.200 0.076 0.000 2.110 289 E HA -0.256 4.090 4.350 -0.006 0.000 0.193 289 E C 2.238 178.794 176.600 -0.074 0.000 0.988 289 E CA 1.339 57.725 56.400 -0.023 0.000 0.804 289 E CB -0.760 28.987 29.700 0.078 0.000 0.745 289 E HN 0.667 nan 8.360 nan 0.000 0.458 290 H N 0.850 119.846 119.070 -0.124 0.000 2.319 290 H HA -0.081 4.472 4.556 -0.006 0.000 0.299 290 H C 1.882 177.085 175.328 -0.208 0.000 1.092 290 H CA 1.883 57.837 56.048 -0.156 0.000 1.302 290 H CB 0.153 29.804 29.762 -0.185 0.000 1.373 290 H HN 0.129 nan 8.280 nan 0.000 0.497 291 A N 0.426 123.191 122.820 -0.091 0.000 1.902 291 A HA -0.105 4.211 4.320 -0.006 0.000 0.217 291 A C 2.930 180.374 177.584 -0.234 0.000 1.181 291 A CA 1.688 53.622 52.037 -0.172 0.000 0.623 291 A CB -0.924 17.965 19.000 -0.185 0.000 0.818 291 A HN 0.306 nan 8.150 nan 0.000 0.443 292 V N -0.113 119.606 119.914 -0.325 0.000 2.343 292 V HA -0.246 3.870 4.120 -0.006 0.000 0.247 292 V C 2.734 178.716 176.094 -0.187 0.000 1.051 292 V CA 1.988 64.110 62.300 -0.297 0.000 1.036 292 V CB -0.723 30.860 31.823 -0.399 0.000 0.654 292 V HN 0.525 nan 8.190 nan 0.000 0.451 293 Q N 0.470 120.163 119.800 -0.178 0.000 2.135 293 Q HA -0.200 4.136 4.340 -0.006 0.000 0.204 293 Q C 2.299 178.223 176.000 -0.126 0.000 0.981 293 Q CA 1.845 57.565 55.803 -0.138 0.000 0.856 293 Q CB -0.329 28.323 28.738 -0.143 0.000 0.902 293 Q HN 0.812 nan 8.270 nan 0.000 0.425 294 R N -0.282 120.127 120.500 -0.153 0.000 2.334 294 R HA 0.216 4.552 4.340 -0.006 0.000 0.220 294 R C -0.023 176.237 176.300 -0.065 0.000 0.917 294 R CA -0.171 55.873 56.100 -0.092 0.000 1.073 294 R CB 0.121 30.374 30.300 -0.078 0.000 1.056 294 R HN -0.047 nan 8.270 nan 0.000 0.506 295 R N 0.237 120.683 120.500 -0.089 0.000 3.333 295 R HA -0.179 4.157 4.340 -0.006 0.000 0.256 295 R C -0.367 175.887 176.300 -0.076 0.000 1.010 295 R CA 0.401 56.454 56.100 -0.079 0.000 0.680 295 R CB -2.033 28.235 30.300 -0.052 0.000 1.102 295 R HN 0.533 nan 8.270 nan 0.000 0.440 296 A N 1.323 124.084 122.820 -0.098 0.000 2.425 296 A HA 0.237 4.553 4.320 -0.006 0.000 0.242 296 A C 0.750 178.253 177.584 -0.135 0.000 1.077 296 A CA -0.237 51.737 52.037 -0.105 0.000 0.781 296 A CB 0.379 19.306 19.000 -0.122 0.000 1.020 296 A HN 0.342 nan 8.150 nan 0.000 0.494 297 R N 1.872 122.271 120.500 -0.169 0.000 2.267 297 R HA 0.338 4.674 4.340 -0.006 0.000 0.319 297 R C -1.219 174.868 176.300 -0.354 0.000 1.067 297 R CA 0.050 56.010 56.100 -0.234 0.000 0.936 297 R CB -0.125 30.017 30.300 -0.265 0.000 1.006 297 R HN 0.633 nan 8.270 nan 0.000 0.452 298 I N 6.146 126.557 120.570 -0.266 0.000 2.321 298 I HA 0.109 4.276 4.170 -0.006 0.000 0.291 298 I C 0.295 176.264 176.117 -0.248 0.000 0.998 298 I CA -0.596 60.570 61.300 -0.224 0.000 1.227 298 I CB 1.320 39.274 38.000 -0.077 0.000 1.368 298 I HN 0.636 nan 8.210 nan 0.000 0.466 299 Y N 5.074 125.219 120.300 -0.258 0.000 2.184 299 Y HA 0.221 4.767 4.550 -0.007 0.000 0.290 299 Y C 1.239 177.090 175.900 -0.083 0.000 1.129 299 Y CA 0.723 58.591 58.100 -0.386 0.000 1.144 299 Y CB 0.027 38.202 38.460 -0.475 0.000 0.995 299 Y HN 0.652 nan 8.280 nan 0.000 0.513 300 A N -0.903 121.983 122.820 0.110 0.000 2.566 300 A HA 0.471 4.787 4.320 -0.006 0.000 0.290 300 A C -1.462 176.163 177.584 0.068 0.000 1.071 300 A CA -0.825 51.267 52.037 0.090 0.000 0.658 300 A CB 0.880 19.919 19.000 0.065 0.000 1.285 300 A HN 0.058 nan 8.150 nan 0.000 0.427 301 E N 0.394 120.630 120.200 0.061 0.000 2.166 301 E HA 0.568 4.914 4.350 -0.006 0.000 0.275 301 E C -1.271 175.308 176.600 -0.036 0.000 0.941 301 E CA -0.605 55.817 56.400 0.038 0.000 0.784 301 E CB 1.609 31.340 29.700 0.050 0.000 1.115 301 E HN 0.462 nan 8.360 nan 0.000 0.399 302 V N 6.779 126.626 119.914 -0.112 0.000 2.427 302 V HA 0.058 4.175 4.120 -0.006 0.000 0.268 302 V C 1.065 176.900 176.094 -0.432 0.000 1.046 302 V CA 0.137 62.229 62.300 -0.347 0.000 0.970 302 V CB 0.831 32.319 31.823 -0.559 0.000 1.001 302 V HN 0.822 nan 8.190 nan 0.000 0.476 303 L N 3.784 124.811 121.223 -0.326 0.000 2.425 303 L HA 0.483 4.819 4.340 -0.006 0.000 0.215 303 L C 1.075 177.879 176.870 -0.110 0.000 1.065 303 L CA 0.761 55.519 54.840 -0.138 0.000 0.842 303 L CB 0.311 42.357 42.059 -0.022 0.000 1.033 303 L HN 0.790 nan 8.230 nan 0.000 0.474 304 G N -1.632 107.025 108.800 -0.239 0.000 2.698 304 G HA2 0.436 4.392 3.960 -0.006 0.000 0.293 304 G HA3 0.436 4.392 3.960 -0.006 0.000 0.293 304 G C -2.502 172.460 174.900 0.103 0.000 1.437 304 G CA -0.198 44.927 45.100 0.042 0.000 0.852 304 G HN -0.216 nan 8.290 nan 0.000 0.499 305 Y N 0.422 120.797 120.300 0.124 0.000 2.362 305 Y HA 0.687 5.233 4.550 -0.006 0.000 0.326 305 Y C -0.184 175.784 175.900 0.113 0.000 1.083 305 Y CA -1.135 57.042 58.100 0.128 0.000 1.073 305 Y CB 1.734 40.359 38.460 0.275 0.000 1.211 305 Y HN 0.941 nan 8.280 nan 0.000 0.433 306 G N 5.134 113.994 108.800 0.100 0.000 2.482 306 G HA2 0.704 4.660 3.960 -0.006 0.000 0.317 306 G HA3 0.704 4.660 3.960 -0.006 0.000 0.317 306 G C -2.288 172.554 174.900 -0.097 0.000 1.241 306 G CA -0.899 44.167 45.100 -0.056 0.000 0.967 306 G HN 0.490 nan 8.290 nan 0.000 0.482 307 L N 1.003 122.149 121.223 -0.128 0.000 2.422 307 L HA 0.812 5.148 4.340 -0.006 0.000 0.264 307 L C 0.185 177.048 176.870 -0.012 0.000 0.984 307 L CA -0.650 54.162 54.840 -0.047 0.000 0.819 307 L CB 2.450 44.446 42.059 -0.105 0.000 1.330 307 L HN 0.831 nan 8.230 nan 0.000 0.410 308 S N -0.098 115.621 115.700 0.032 0.000 2.615 308 S HA 0.937 5.403 4.470 -0.006 0.000 0.269 308 S C -0.821 173.793 174.600 0.023 0.000 1.161 308 S CA -0.361 57.845 58.200 0.010 0.000 0.817 308 S CB 1.716 64.910 63.200 -0.009 0.000 1.131 308 S HN 0.903 nan 8.310 nan 0.000 0.467 309 G N 0.058 108.860 108.800 0.003 0.000 2.513 309 G HA2 0.527 4.483 3.960 -0.006 0.000 0.317 309 G HA3 0.527 4.483 3.960 -0.006 0.000 0.317 309 G C -0.302 174.588 174.900 -0.018 0.000 1.277 309 G CA -0.686 44.416 45.100 0.004 0.000 0.955 309 G HN 0.606 nan 8.290 nan 0.000 0.484 310 D N 2.139 122.524 120.400 -0.026 0.000 2.149 310 D HA -0.064 4.572 4.640 -0.006 0.000 0.198 310 D C 2.288 178.578 176.300 -0.017 0.000 0.990 310 D CA 1.719 55.697 54.000 -0.037 0.000 0.839 310 D CB -0.033 40.744 40.800 -0.039 0.000 0.948 310 D HN 0.913 nan 8.370 nan 0.000 0.460 311 A N -1.033 121.784 122.820 -0.006 0.000 2.771 311 A HA -0.149 4.167 4.320 -0.006 0.000 0.294 311 A C 1.545 179.134 177.584 0.008 0.000 1.500 311 A CA 1.548 53.585 52.037 -0.001 0.000 0.829 311 A CB -1.731 17.266 19.000 -0.005 0.000 0.998 311 A HN 0.436 nan 8.150 nan 0.000 0.526 312 G N -2.194 106.618 108.800 0.020 0.000 2.710 312 G HA2 0.471 4.427 3.960 -0.006 0.000 0.215 312 G HA3 0.471 4.427 3.960 -0.006 0.000 0.215 312 G C 0.163 175.127 174.900 0.108 0.000 1.345 312 G CA 0.864 45.994 45.100 0.050 0.000 0.812 312 G HN 1.186 nan 8.290 nan 0.000 0.606 313 H N -0.980 118.084 119.070 -0.009 0.000 3.046 313 H HA 0.507 5.059 4.556 -0.007 0.000 0.361 313 H C 0.252 175.583 175.328 0.006 0.000 1.235 313 H CA -0.936 55.112 56.048 0.000 0.000 1.146 313 H CB 1.658 31.418 29.762 -0.002 0.000 1.859 313 H HN 0.343 nan 8.280 nan 0.000 0.548 319 P HA -0.064 nan 4.420 nan 0.000 0.222 319 P C 0.809 178.100 177.300 -0.016 0.000 1.147 319 P CA 0.729 63.819 63.100 -0.017 0.000 0.790 319 P CB 0.602 32.296 31.700 -0.010 0.000 0.780 320 E N -0.371 119.827 120.200 -0.004 0.000 2.442 320 E HA 0.203 4.549 4.350 -0.006 0.000 0.195 320 E C 1.219 177.816 176.600 -0.004 0.000 1.030 320 E CA 0.573 56.990 56.400 0.029 0.000 0.869 320 E CB -0.927 28.813 29.700 0.066 0.000 0.857 320 E HN 0.210 nan 8.360 nan 0.000 0.505 321 G N -0.162 108.608 108.800 -0.050 0.000 2.323 321 G HA2 -0.388 3.568 3.960 -0.006 0.000 0.292 321 G HA3 -0.388 3.568 3.960 -0.006 0.000 0.292 321 G C 0.827 175.666 174.900 -0.101 0.000 1.040 321 G CA 0.888 45.923 45.100 -0.108 0.000 0.942 321 G HN 0.479 nan 8.290 nan 0.000 0.506 322 E N -0.527 119.635 120.200 -0.064 0.000 2.077 322 E HA 0.012 4.358 4.350 -0.006 0.000 0.193 322 E C 2.941 179.488 176.600 -0.087 0.000 0.989 322 E CA 2.011 58.382 56.400 -0.049 0.000 0.800 322 E CB -1.028 28.652 29.700 -0.032 0.000 0.746 322 E HN 1.592 nan 8.360 nan 0.000 0.452 323 G N 0.508 109.231 108.800 -0.127 0.000 2.440 323 G HA2 -0.021 3.935 3.960 -0.006 0.000 0.218 323 G HA3 -0.021 3.935 3.960 -0.006 0.000 0.218 323 G C 2.057 176.829 174.900 -0.214 0.000 1.154 323 G CA 2.103 47.112 45.100 -0.151 0.000 0.767 323 G HN 0.949 nan 8.290 nan 0.000 0.552 324 A N 0.405 122.997 122.820 -0.381 0.000 1.902 324 A HA 0.067 4.383 4.320 -0.006 0.000 0.217 324 A C 2.395 179.917 177.584 -0.104 0.000 1.181 324 A CA 1.553 53.309 52.037 -0.467 0.000 0.623 324 A CB -0.435 18.125 19.000 -0.732 0.000 0.818 324 A HN 0.440 nan 8.150 nan 0.000 0.443 325 L N -0.698 120.476 121.223 -0.080 0.000 2.017 325 L HA -0.171 4.165 4.340 -0.006 0.000 0.208 325 L C 2.671 179.524 176.870 -0.028 0.000 1.073 325 L CA 1.630 56.455 54.840 -0.025 0.000 0.745 325 L CB -0.257 41.796 42.059 -0.010 0.000 0.894 325 L HN 0.319 nan 8.230 nan 0.000 0.432 326 R N -0.739 119.738 120.500 -0.039 0.000 2.115 326 R HA -0.168 4.168 4.340 -0.006 0.000 0.230 326 R C 2.501 178.793 176.300 -0.014 0.000 1.111 326 R CA 1.473 57.554 56.100 -0.032 0.000 0.976 326 R CB -0.707 29.570 30.300 -0.037 0.000 0.870 326 R HN 0.708 nan 8.270 nan 0.000 0.445 327 C N -0.592 118.713 119.300 0.008 0.000 2.486 327 C HA 0.129 4.586 4.460 -0.006 0.000 0.279 327 C C 2.493 177.527 174.990 0.074 0.000 1.302 327 C CA 0.021 59.069 59.018 0.049 0.000 1.720 327 C CB -0.649 27.151 27.740 0.101 0.000 2.030 327 C HN 0.336 nan 8.230 nan 0.000 0.490 328 M N 1.954 121.612 119.600 0.096 0.000 2.080 328 M HA -0.077 4.399 4.480 -0.006 0.000 0.260 328 M C 2.800 179.115 176.300 0.025 0.000 1.068 328 M CA 2.228 57.585 55.300 0.096 0.000 1.109 328 M CB -0.643 32.038 32.600 0.135 0.000 1.342 328 M HN 0.589 nan 8.290 nan 0.000 0.405 329 A N 0.419 123.226 122.820 -0.022 0.000 1.940 329 A HA -0.094 4.222 4.320 -0.006 0.000 0.219 329 A C 2.365 179.934 177.584 -0.025 0.000 1.176 329 A CA 2.004 54.008 52.037 -0.054 0.000 0.631 329 A CB -0.926 18.033 19.000 -0.068 0.000 0.814 329 A HN 0.522 nan 8.150 nan 0.000 0.446 330 A N -0.222 122.591 122.820 -0.011 0.000 1.902 330 A HA 0.169 4.485 4.320 -0.006 0.000 0.217 330 A C 2.497 180.090 177.584 0.015 0.000 1.181 330 A CA 2.049 54.081 52.037 -0.009 0.000 0.623 330 A CB -0.965 18.021 19.000 -0.022 0.000 0.818 330 A HN 1.048 nan 8.150 nan 0.000 0.443 331 A N -0.131 122.714 122.820 0.041 0.000 1.902 331 A HA -0.030 4.286 4.320 -0.006 0.000 0.217 331 A C 2.166 179.788 177.584 0.063 0.000 1.181 331 A CA 1.452 53.534 52.037 0.075 0.000 0.623 331 A CB -0.620 18.437 19.000 0.096 0.000 0.818 331 A HN 0.473 nan 8.150 nan 0.000 0.443 332 L N -0.601 120.647 121.223 0.042 0.000 2.012 332 L HA -0.232 4.104 4.340 -0.006 0.000 0.210 332 L C 2.667 179.549 176.870 0.019 0.000 1.073 332 L CA 2.060 56.917 54.840 0.029 0.000 0.748 332 L CB -0.520 41.536 42.059 -0.005 0.000 0.891 332 L HN 0.462 nan 8.230 nan 0.000 0.431 333 K N 0.174 120.577 120.400 0.007 0.000 2.063 333 K HA -0.266 4.050 4.320 -0.006 0.000 0.208 333 K C 1.815 178.427 176.600 0.020 0.000 1.048 333 K CA 2.081 58.369 56.287 0.002 0.000 0.928 333 K CB -0.090 32.403 32.500 -0.011 0.000 0.713 333 K HN 0.163 nan 8.250 nan 0.000 0.442 334 D N -0.171 120.255 120.400 0.044 0.000 2.144 334 D HA -0.091 4.545 4.640 -0.006 0.000 0.199 334 D C 1.509 177.874 176.300 0.108 0.000 0.984 334 D CA 1.340 55.391 54.000 0.085 0.000 0.834 334 D CB 0.002 40.891 40.800 0.148 0.000 0.955 334 D HN 0.330 nan 8.370 nan 0.000 0.465 335 A N -0.669 122.205 122.820 0.090 0.000 2.119 335 A HA 0.355 4.672 4.320 -0.006 0.000 0.216 335 A C 1.806 179.425 177.584 0.059 0.000 1.152 335 A CA 1.122 53.208 52.037 0.082 0.000 0.708 335 A CB -0.584 18.450 19.000 0.057 0.000 0.805 335 A HN 0.437 nan 8.150 nan 0.000 0.460 336 G N -1.086 107.737 108.800 0.040 0.000 2.273 336 G HA2 -0.147 3.809 3.960 -0.006 0.000 0.280 336 G HA3 -0.147 3.809 3.960 -0.006 0.000 0.280 336 G C -0.032 174.880 174.900 0.020 0.000 1.047 336 G CA 0.393 45.506 45.100 0.022 0.000 0.869 336 G HN 0.874 nan 8.290 nan 0.000 0.502 337 V N 0.564 120.492 119.914 0.023 0.000 2.628 337 V HA 0.554 4.671 4.120 -0.006 0.000 0.306 337 V C 0.060 176.161 176.094 0.012 0.000 1.045 337 V CA -1.125 61.189 62.300 0.024 0.000 0.905 337 V CB 1.947 33.795 31.823 0.042 0.000 0.997 337 V HN 0.354 nan 8.190 nan 0.000 0.436 338 Q N 4.214 124.016 119.800 0.002 0.000 2.259 338 Q HA 0.334 4.670 4.340 -0.006 0.000 0.246 338 Q C -1.807 174.187 176.000 -0.009 0.000 0.920 338 Q CA -2.292 53.499 55.803 -0.020 0.000 0.895 338 Q CB 1.146 29.865 28.738 -0.032 0.000 1.220 338 Q HN 0.327 nan 8.270 nan 0.000 0.439 339 P HA -0.257 nan 4.420 nan 0.000 0.216 339 P C 0.865 178.211 177.300 0.076 0.000 1.154 339 P CA 1.816 64.941 63.100 0.041 0.000 0.865 339 P CB 0.201 31.787 31.700 -0.191 0.000 0.789 340 E N 0.136 120.199 120.200 -0.228 0.000 2.409 340 E HA -0.182 4.164 4.350 -0.006 0.000 0.198 340 E C 1.307 177.654 176.600 -0.421 0.000 1.024 340 E CA 0.866 56.830 56.400 -0.727 0.000 0.861 340 E CB -0.729 28.739 29.700 -0.387 0.000 0.788 340 E HN 0.374 nan 8.360 nan 0.000 0.521 341 E N 0.427 120.556 120.200 -0.118 0.000 2.435 341 E HA 0.033 4.379 4.350 -0.006 0.000 0.195 341 E C 0.173 176.808 176.600 0.059 0.000 1.029 341 E CA -0.133 56.265 56.400 -0.004 0.000 0.865 341 E CB 0.299 30.009 29.700 0.016 0.000 0.833 341 E HN 0.276 nan 8.360 nan 0.000 0.510 342 I N 1.604 122.247 120.570 0.121 0.000 2.441 342 I HA -0.036 4.130 4.170 -0.006 0.000 0.287 342 I C 1.275 177.441 176.117 0.082 0.000 1.049 342 I CA 0.431 61.789 61.300 0.096 0.000 1.381 342 I CB 1.260 39.339 38.000 0.131 0.000 1.409 342 I HN -0.033 nan 8.210 nan 0.000 0.523 343 S N 5.320 120.953 115.700 -0.111 0.000 2.520 343 S HA 0.115 4.581 4.470 -0.006 0.000 0.219 343 S C -0.027 174.320 174.600 -0.422 0.000 1.028 343 S CA -0.124 57.988 58.200 -0.145 0.000 0.921 343 S CB 0.181 63.416 63.200 0.058 0.000 0.844 343 S HN 0.578 nan 8.310 nan 0.000 0.495 344 Y N 0.836 120.804 120.300 -0.553 0.000 2.479 344 Y HA 0.676 5.222 4.550 -0.006 0.000 0.338 344 Y C -2.036 173.707 175.900 -0.261 0.000 1.055 344 Y CA -1.819 55.992 58.100 -0.482 0.000 1.023 344 Y CB 1.227 39.432 38.460 -0.425 0.000 1.287 344 Y HN 0.088 nan 8.280 nan 0.000 0.447 345 I N 5.989 125.968 120.570 -0.985 0.000 2.418 345 I HA 0.267 4.433 4.170 -0.006 0.000 0.287 345 I C -0.540 174.954 176.117 -1.039 0.000 1.008 345 I CA -0.840 59.982 61.300 -0.798 0.000 1.104 345 I CB 1.601 39.361 38.000 -0.401 0.000 1.264 345 I HN 0.613 nan 8.210 nan 0.000 0.438 346 N N 5.901 124.143 118.700 -0.764 0.000 2.415 346 N HA 0.303 5.039 4.740 -0.006 0.000 0.250 346 N C -0.342 175.091 175.510 -0.128 0.000 1.127 346 N CA -0.110 52.768 53.050 -0.287 0.000 0.945 346 N CB 1.195 39.689 38.487 0.012 0.000 1.196 346 N HN 0.741 nan 8.380 nan 0.000 0.499 347 A N 2.907 125.707 122.820 -0.032 0.000 2.407 347 A HA 0.048 4.365 4.320 -0.006 0.000 0.248 347 A C 1.150 178.711 177.584 -0.038 0.000 1.082 347 A CA -0.200 51.861 52.037 0.040 0.000 0.785 347 A CB 0.277 19.434 19.000 0.262 0.000 1.020 347 A HN 0.910 nan 8.150 nan 0.000 0.489 348 H N 2.545 121.492 119.070 -0.205 0.000 2.389 348 H HA 0.123 4.675 4.556 -0.006 0.000 0.299 348 H C 1.391 176.576 175.328 -0.239 0.000 1.081 348 H CA 1.289 57.159 56.048 -0.296 0.000 1.345 348 H CB -0.336 29.133 29.762 -0.489 0.000 1.393 348 H HN 0.930 nan 8.280 nan 0.000 0.520 349 A N 0.843 123.535 122.820 -0.214 0.000 2.198 349 A HA -0.167 4.149 4.320 -0.006 0.000 0.322 349 A C 1.508 178.789 177.584 -0.506 0.000 0.870 349 A CA 1.231 53.036 52.037 -0.386 0.000 1.382 349 A CB -0.900 17.672 19.000 -0.712 0.000 0.668 349 A HN 0.779 nan 8.150 nan 0.000 0.299 350 T N -0.337 113.938 114.554 -0.465 0.000 3.086 350 T HA 0.382 4.728 4.350 -0.006 0.000 0.250 350 T C 0.629 175.209 174.700 -0.201 0.000 1.074 350 T CA 0.762 62.614 62.100 -0.414 0.000 0.988 350 T CB 0.013 68.589 68.868 -0.487 0.000 0.988 350 T HN 2.130 nan 8.240 nan 0.000 0.530 351 S N 0.854 116.406 115.700 -0.247 0.000 3.931 351 S HA -0.123 4.344 4.470 -0.006 0.000 0.318 351 S C 0.154 174.708 174.600 -0.075 0.000 1.098 351 S CA 0.513 58.603 58.200 -0.183 0.000 0.900 351 S CB -2.056 61.058 63.200 -0.144 0.000 0.886 351 S HN 1.276 nan 8.310 nan 0.000 0.513 352 T N -0.857 113.662 114.554 -0.057 0.000 2.855 352 T HA 0.712 5.059 4.350 -0.006 0.000 0.281 352 T C -1.558 173.152 174.700 0.016 0.000 1.007 352 T CA -1.704 60.405 62.100 0.016 0.000 1.009 352 T CB 1.820 70.725 68.868 0.062 0.000 0.983 352 T HN -0.049 nan 8.240 nan 0.000 0.455 353 P HA -0.058 nan 4.420 nan 0.000 0.215 353 P C 1.529 178.881 177.300 0.087 0.000 1.157 353 P CA 1.013 64.150 63.100 0.062 0.000 0.874 353 P CB 0.049 31.781 31.700 0.054 0.000 0.790 354 L N -1.746 119.516 121.223 0.064 0.000 2.127 354 L HA 0.052 4.388 4.340 -0.006 0.000 0.203 354 L C 2.712 179.621 176.870 0.065 0.000 1.080 354 L CA 1.559 56.433 54.840 0.057 0.000 0.768 354 L CB -1.603 40.474 42.059 0.030 0.000 0.924 354 L HN 0.046 nan 8.230 nan 0.000 0.444 355 G N 0.017 108.853 108.800 0.059 0.000 2.421 355 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.216 355 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.216 355 G C 1.039 176.006 174.900 0.110 0.000 1.171 355 G CA 0.964 46.108 45.100 0.073 0.000 0.775 355 G HN 0.283 nan 8.290 nan 0.000 0.543 356 D N 0.864 121.317 120.400 0.088 0.000 2.144 356 D HA 0.023 4.659 4.640 -0.006 0.000 0.199 356 D C 2.726 179.260 176.300 0.389 0.000 0.984 356 D CA 1.206 55.282 54.000 0.128 0.000 0.834 356 D CB -0.320 40.437 40.800 -0.072 0.000 0.955 356 D HN 0.326 nan 8.370 nan 0.000 0.465 357 A N 0.640 123.668 122.820 0.348 0.000 1.929 357 A HA 0.105 4.421 4.320 -0.006 0.000 0.216 357 A C 2.252 179.874 177.584 0.064 0.000 1.176 357 A CA 1.720 53.892 52.037 0.226 0.000 0.628 357 A CB -0.667 18.421 19.000 0.147 0.000 0.816 357 A HN 0.215 nan 8.150 nan 0.000 0.444 358 A N -0.234 122.625 122.820 0.066 0.000 1.902 358 A HA -0.177 4.140 4.320 -0.006 0.000 0.217 358 A C 2.030 179.622 177.584 0.012 0.000 1.181 358 A CA 1.796 53.836 52.037 0.005 0.000 0.623 358 A CB -0.500 18.492 19.000 -0.013 0.000 0.818 358 A HN 0.658 nan 8.150 nan 0.000 0.443 359 E N -0.081 120.188 120.200 0.115 0.000 2.072 359 E HA -0.209 4.137 4.350 -0.006 0.000 0.191 359 E C 2.065 178.769 176.600 0.174 0.000 0.985 359 E CA 1.009 57.525 56.400 0.193 0.000 0.801 359 E CB -0.281 29.641 29.700 0.370 0.000 0.750 359 E HN 0.708 nan 8.360 nan 0.000 0.452 360 N N 0.630 119.460 118.700 0.217 0.000 2.061 360 N HA -0.234 4.502 4.740 -0.006 0.000 0.193 360 N C 1.759 177.233 175.510 -0.060 0.000 1.030 360 N CA 1.384 54.516 53.050 0.137 0.000 0.856 360 N CB 0.014 38.596 38.487 0.158 0.000 1.023 360 N HN 0.117 nan 8.380 nan 0.000 0.424 361 K N 0.397 120.706 120.400 -0.152 0.000 2.032 361 K HA -0.102 4.214 4.320 -0.006 0.000 0.209 361 K C 2.183 178.500 176.600 -0.472 0.000 1.048 361 K CA 1.287 57.351 56.287 -0.371 0.000 0.927 361 K CB -0.218 32.081 32.500 -0.335 0.000 0.712 361 K HN 0.236 nan 8.250 nan 0.000 0.441 362 A N 1.577 124.275 122.820 -0.203 0.000 1.908 362 A HA -0.178 4.138 4.320 -0.006 0.000 0.218 362 A C 2.119 179.709 177.584 0.010 0.000 1.181 362 A CA 1.410 53.398 52.037 -0.082 0.000 0.627 362 A CB -0.653 18.330 19.000 -0.028 0.000 0.818 362 A HN 0.207 nan 8.150 nan 0.000 0.445 363 I N -0.545 120.067 120.570 0.070 0.000 2.163 363 I HA -0.316 3.850 4.170 -0.006 0.000 0.243 363 I C 2.514 178.726 176.117 0.159 0.000 1.085 363 I CA 1.860 63.277 61.300 0.196 0.000 1.347 363 I CB -0.302 37.767 38.000 0.116 0.000 1.044 363 I HN 0.320 nan 8.210 nan 0.000 0.408 364 K N -0.279 120.105 120.400 -0.027 0.000 2.057 364 K HA -0.143 4.173 4.320 -0.006 0.000 0.206 364 K C 2.038 178.687 176.600 0.082 0.000 1.050 364 K CA 1.350 57.610 56.287 -0.044 0.000 0.935 364 K CB -0.307 32.111 32.500 -0.136 0.000 0.715 364 K HN 0.509 nan 8.250 nan 0.000 0.439 365 H N 0.115 119.192 119.070 0.011 0.000 2.353 365 H HA -0.118 4.435 4.556 -0.005 0.000 0.300 365 H C 2.081 177.387 175.328 -0.036 0.000 1.090 365 H CA 0.839 56.881 56.048 -0.010 0.000 1.327 365 H CB 0.122 29.870 29.762 -0.023 0.000 1.383 365 H HN 0.020 nan 8.280 nan 0.000 0.508 366 L N 0.096 121.353 121.223 0.057 0.000 2.044 366 L HA -0.083 4.254 4.340 -0.006 0.000 0.205 366 L C 1.423 178.132 176.870 -0.269 0.000 1.075 366 L CA 1.598 56.336 54.840 -0.170 0.000 0.747 366 L CB -0.433 41.423 42.059 -0.338 0.000 0.903 366 L HN 0.096 nan 8.230 nan 0.000 0.435 367 F N -0.471 119.504 119.950 0.041 0.000 2.743 367 F HA 0.118 4.643 4.527 -0.004 0.000 0.297 367 F C 1.481 177.327 175.800 0.077 0.000 1.131 367 F CA 0.043 58.085 58.000 0.070 0.000 1.426 367 F CB -0.258 38.790 39.000 0.080 0.000 1.116 367 F HN 0.018 nan 8.300 nan 0.000 0.583 368 K N -0.064 120.439 120.400 0.172 0.000 1.931 368 K HA -0.322 3.994 4.320 -0.006 0.000 0.126 368 K C 0.662 177.361 176.600 0.164 0.000 1.372 368 K CA 1.607 57.978 56.287 0.140 0.000 0.483 368 K CB -1.238 31.328 32.500 0.111 0.000 0.562 368 K HN 0.003 nan 8.250 nan 0.000 0.923 369 D N -0.144 120.376 120.400 0.200 0.000 2.264 369 D HA -0.080 4.556 4.640 -0.006 0.000 0.208 369 D C 1.792 178.257 176.300 0.276 0.000 0.966 369 D CA 1.360 55.524 54.000 0.274 0.000 0.864 369 D CB -0.341 40.585 40.800 0.211 0.000 0.933 369 D HN 0.408 nan 8.370 nan 0.000 0.499 370 H N 0.760 119.923 119.070 0.156 0.000 2.489 370 H HA 0.021 4.573 4.556 -0.006 0.000 0.293 370 H C 1.810 177.172 175.328 0.056 0.000 1.066 370 H CA 1.283 57.413 56.048 0.137 0.000 1.305 370 H CB -0.010 29.862 29.762 0.183 0.000 1.386 370 H HN 0.046 nan 8.280 nan 0.000 0.551 371 A N -0.237 122.556 122.820 -0.045 0.000 2.032 371 A HA -0.216 4.101 4.320 -0.006 0.000 0.221 371 A C 1.544 178.854 177.584 -0.457 0.000 1.165 371 A CA 1.575 53.427 52.037 -0.309 0.000 0.645 371 A CB -0.880 17.914 19.000 -0.344 0.000 0.807 371 A HN 0.601 nan 8.150 nan 0.000 0.453 372 Y N -1.148 119.067 120.300 -0.141 0.000 2.523 372 Y HA 0.291 4.837 4.550 -0.007 0.000 0.279 372 Y C 2.454 178.270 175.900 -0.141 0.000 1.139 372 Y CA 0.293 58.314 58.100 -0.131 0.000 1.296 372 Y CB -0.148 38.272 38.460 -0.068 0.000 1.045 372 Y HN 0.318 nan 8.280 nan 0.000 0.538 373 A N -0.090 122.654 122.820 -0.127 0.000 2.095 373 A HA 0.221 4.537 4.320 -0.006 0.000 0.212 373 A C 0.832 178.359 177.584 -0.095 0.000 1.162 373 A CA 0.167 52.130 52.037 -0.123 0.000 0.753 373 A CB -0.606 18.295 19.000 -0.165 0.000 0.840 373 A HN 0.265 nan 8.150 nan 0.000 0.468 374 L N -3.279 117.752 121.223 -0.320 0.000 2.472 374 L HA 0.882 5.218 4.340 -0.006 0.000 0.256 374 L C 0.057 176.778 176.870 -0.248 0.000 1.111 374 L CA -0.924 53.763 54.840 -0.255 0.000 0.800 374 L CB 0.280 42.055 42.059 -0.474 0.000 1.286 374 L HN 0.083 nan 8.230 nan 0.000 0.479 375 A N -0.030 122.534 122.820 -0.427 0.000 2.374 375 A HA 0.862 5.178 4.320 -0.006 0.000 0.317 375 A C -1.013 176.416 177.584 -0.258 0.000 1.094 375 A CA -0.605 51.217 52.037 -0.359 0.000 0.765 375 A CB 1.582 20.262 19.000 -0.534 0.000 1.268 375 A HN 0.599 nan 8.150 nan 0.000 0.438 376 V N 1.718 121.512 119.914 -0.200 0.000 2.638 376 V HA 0.751 4.868 4.120 -0.006 0.000 0.306 376 V C -0.092 176.054 176.094 0.088 0.000 1.052 376 V CA -0.181 62.032 62.300 -0.145 0.000 0.885 376 V CB 1.731 33.462 31.823 -0.153 0.000 0.999 376 V HN 1.265 nan 8.190 nan 0.000 0.424 377 S N 2.275 118.082 115.700 0.178 0.000 2.546 377 S HA 0.752 5.219 4.470 -0.006 0.000 0.274 377 S C -0.777 173.989 174.600 0.276 0.000 1.121 377 S CA -0.666 57.716 58.200 0.303 0.000 0.887 377 S CB 2.057 65.430 63.200 0.288 0.000 1.094 377 S HN 0.770 nan 8.310 nan 0.000 0.474 378 S N 0.880 116.747 115.700 0.277 0.000 2.437 378 S HA 0.537 5.003 4.470 -0.006 0.000 0.305 378 S C 0.787 175.419 174.600 0.053 0.000 1.109 378 S CA -0.135 58.119 58.200 0.090 0.000 1.099 378 S CB 0.761 63.894 63.200 -0.111 0.000 1.004 378 S HN 1.026 nan 8.310 nan 0.000 0.475 379 T N 2.095 116.689 114.554 0.066 0.000 3.122 379 T HA 0.274 4.620 4.350 -0.006 0.000 0.250 379 T C 1.099 175.825 174.700 0.042 0.000 1.067 379 T CA -0.177 61.964 62.100 0.068 0.000 0.966 379 T CB -0.088 68.889 68.868 0.181 0.000 1.002 379 T HN 0.592 nan 8.240 nan 0.000 0.542 380 K N 1.010 121.390 120.400 -0.034 0.000 2.365 380 K HA 0.068 4.384 4.320 -0.006 0.000 0.199 380 K C 2.443 179.008 176.600 -0.058 0.000 1.045 380 K CA 0.812 57.058 56.287 -0.069 0.000 0.962 380 K CB -0.351 32.040 32.500 -0.181 0.000 0.759 380 K HN 0.513 nan 8.250 nan 0.000 0.469 381 G N 1.078 109.838 108.800 -0.066 0.000 2.448 381 G HA2 -0.222 3.734 3.960 -0.006 0.000 0.219 381 G HA3 -0.222 3.734 3.960 -0.006 0.000 0.219 381 G C 1.458 176.330 174.900 -0.046 0.000 1.127 381 G CA 0.965 46.026 45.100 -0.065 0.000 0.766 381 G HN 0.339 nan 8.290 nan 0.000 0.552 382 A N 0.195 122.997 122.820 -0.029 0.000 1.956 382 A HA 0.204 4.520 4.320 -0.006 0.000 0.212 382 A C 2.457 180.048 177.584 0.013 0.000 1.188 382 A CA 2.004 54.027 52.037 -0.022 0.000 0.675 382 A CB -0.242 18.728 19.000 -0.050 0.000 0.845 382 A HN 0.421 nan 8.150 nan 0.000 0.455 383 T N -4.104 110.477 114.554 0.044 0.000 3.014 383 T HA 0.457 4.803 4.350 -0.006 0.000 0.250 383 T C 1.179 175.890 174.700 0.018 0.000 1.060 383 T CA 1.080 63.215 62.100 0.057 0.000 1.040 383 T CB -0.167 68.769 68.868 0.114 0.000 0.971 383 T HN 1.829 nan 8.240 nan 0.000 0.497 384 G N 1.544 110.347 108.800 0.005 0.000 2.796 384 G HA2 -0.205 3.751 3.960 -0.006 0.000 0.226 384 G HA3 -0.205 3.751 3.960 -0.006 0.000 0.226 384 G C -0.720 174.219 174.900 0.065 0.000 1.381 384 G CA -0.344 44.767 45.100 0.018 0.000 0.867 384 G HN 0.793 nan 8.290 nan 0.000 0.552 385 H N 0.369 119.436 119.070 -0.005 0.000 2.782 385 H HA 0.449 5.001 4.556 -0.007 0.000 0.285 385 H C 1.167 176.452 175.328 -0.072 0.000 1.093 385 H CA -0.840 55.174 56.048 -0.056 0.000 1.410 385 H CB 0.792 30.516 29.762 -0.062 0.000 1.439 385 H HN 0.328 nan 8.280 nan 0.000 0.469 386 L N 6.844 128.165 121.223 0.163 0.000 2.627 386 L HA 0.035 4.372 4.340 -0.006 0.000 0.232 386 L C 1.494 178.317 176.870 -0.078 0.000 1.150 386 L CA 0.508 55.347 54.840 -0.002 0.000 0.917 386 L CB -0.997 41.050 42.059 -0.020 0.000 1.104 386 L HN 0.760 nan 8.230 nan 0.000 0.445 387 L N -1.359 119.736 121.223 -0.212 0.000 4.782 387 L HA -0.426 3.910 4.340 -0.006 0.000 0.053 387 L C 1.912 178.739 176.870 -0.071 0.000 3.426 387 L CA 1.424 56.078 54.840 -0.311 0.000 1.357 387 L CB -1.865 39.999 42.059 -0.326 0.000 3.081 387 L HN 0.287 nan 8.230 nan 0.000 0.912 388 G N -1.168 107.597 108.800 -0.057 0.000 2.448 388 G HA2 0.030 3.986 3.960 -0.006 0.000 0.219 388 G HA3 0.030 3.986 3.960 -0.006 0.000 0.219 388 G C 1.294 176.181 174.900 -0.020 0.000 1.127 388 G CA 1.390 46.481 45.100 -0.016 0.000 0.766 388 G HN 0.839 nan 8.290 nan 0.000 0.552 389 A N 0.370 123.166 122.820 -0.040 0.000 2.147 389 A HA 0.638 4.954 4.320 -0.006 0.000 0.211 389 A C 2.601 180.146 177.584 -0.065 0.000 1.160 389 A CA 1.301 53.302 52.037 -0.060 0.000 0.781 389 A CB -0.258 18.693 19.000 -0.082 0.000 0.842 389 A HN 0.548 nan 8.150 nan 0.000 0.475 390 A N 0.138 122.949 122.820 -0.016 0.000 1.892 390 A HA 0.016 4.332 4.320 -0.006 0.000 0.218 390 A C 2.328 179.880 177.584 -0.053 0.000 1.188 390 A CA 2.016 54.053 52.037 -0.001 0.000 0.631 390 A CB -1.309 17.776 19.000 0.142 0.000 0.822 390 A HN 0.722 nan 8.150 nan 0.000 0.447 391 G N -1.092 107.683 108.800 -0.042 0.000 2.422 391 G HA2 0.085 4.041 3.960 -0.006 0.000 0.218 391 G HA3 0.085 4.041 3.960 -0.006 0.000 0.218 391 G C 1.627 176.463 174.900 -0.106 0.000 1.140 391 G CA 1.340 46.393 45.100 -0.078 0.000 0.775 391 G HN 0.797 nan 8.290 nan 0.000 0.545 392 A N -0.036 122.716 122.820 -0.112 0.000 1.898 392 A HA 0.209 4.525 4.320 -0.006 0.000 0.214 392 A C 2.502 179.958 177.584 -0.214 0.000 1.183 392 A CA 1.428 53.383 52.037 -0.136 0.000 0.622 392 A CB -0.733 18.200 19.000 -0.111 0.000 0.824 392 A HN 0.353 nan 8.150 nan 0.000 0.444 393 V N 0.356 120.108 119.914 -0.272 0.000 2.407 393 V HA -0.237 3.880 4.120 -0.006 0.000 0.248 393 V C 2.161 177.839 176.094 -0.694 0.000 1.055 393 V CA 2.711 64.704 62.300 -0.512 0.000 1.049 393 V CB -0.512 31.010 31.823 -0.502 0.000 0.662 393 V HN 0.718 nan 8.190 nan 0.000 0.455 394 E N -0.128 119.858 120.200 -0.356 0.000 2.216 394 E HA 0.014 4.360 4.350 -0.006 0.000 0.192 394 E C 2.201 178.768 176.600 -0.055 0.000 0.988 394 E CA 0.967 57.275 56.400 -0.153 0.000 0.834 394 E CB -0.293 29.383 29.700 -0.039 0.000 0.772 394 E HN 0.684 nan 8.360 nan 0.000 0.479 395 A N 1.312 124.066 122.820 -0.109 0.000 1.930 395 A HA -0.052 4.264 4.320 -0.006 0.000 0.217 395 A C 2.346 179.885 177.584 -0.075 0.000 1.175 395 A CA 1.474 53.466 52.037 -0.074 0.000 0.627 395 A CB -0.496 18.443 19.000 -0.102 0.000 0.815 395 A HN 0.289 nan 8.150 nan 0.000 0.443 396 A N -0.895 121.834 122.820 -0.152 0.000 1.898 396 A HA 0.064 4.380 4.320 -0.006 0.000 0.216 396 A C 1.868 179.468 177.584 0.027 0.000 1.181 396 A CA 1.423 53.366 52.037 -0.156 0.000 0.620 396 A CB -0.659 18.195 19.000 -0.243 0.000 0.819 396 A HN 0.415 nan 8.150 nan 0.000 0.442 397 F N 0.925 120.898 119.950 0.039 0.000 2.186 397 F HA -0.080 4.443 4.527 -0.007 0.000 0.299 397 F C 2.688 178.600 175.800 0.187 0.000 1.090 397 F CA 1.406 59.524 58.000 0.197 0.000 1.307 397 F CB -1.492 37.663 39.000 0.258 0.000 1.019 397 F HN 0.161 nan 8.300 nan 0.000 0.489 398 T N -1.121 113.635 114.554 0.337 0.000 2.812 398 T HA -0.130 4.217 4.350 -0.006 0.000 0.264 398 T C 2.044 176.833 174.700 0.147 0.000 1.042 398 T CA 1.821 64.108 62.100 0.312 0.000 1.140 398 T CB -0.549 68.469 68.868 0.249 0.000 0.870 398 T HN 0.191 nan 8.240 nan 0.000 0.445 399 T N 2.608 117.177 114.554 0.024 0.000 2.684 399 T HA -0.003 4.343 4.350 -0.006 0.000 0.267 399 T C 1.945 176.528 174.700 -0.195 0.000 1.036 399 T CA 1.007 63.057 62.100 -0.083 0.000 1.148 399 T CB -0.460 68.308 68.868 -0.167 0.000 0.863 399 T HN 0.257 nan 8.240 nan 0.000 0.436 400 L N 0.564 121.590 121.223 -0.329 0.000 2.109 400 L HA 0.000 4.336 4.340 -0.006 0.000 0.207 400 L C 3.057 179.646 176.870 -0.469 0.000 1.086 400 L CA 0.936 55.414 54.840 -0.603 0.000 0.760 400 L CB -0.691 40.698 42.059 -1.117 0.000 0.910 400 L HN 0.233 nan 8.230 nan 0.000 0.437 401 A N -0.478 122.208 122.820 -0.223 0.000 1.908 401 A HA -0.257 4.059 4.320 -0.006 0.000 0.218 401 A C 2.429 179.734 177.584 -0.465 0.000 1.181 401 A CA 2.036 54.023 52.037 -0.083 0.000 0.627 401 A CB -1.198 17.792 19.000 -0.016 0.000 0.818 401 A HN 0.535 nan 8.150 nan 0.000 0.445 402 C N -2.522 116.546 119.300 -0.387 0.000 2.432 402 C HA -0.100 4.356 4.460 -0.006 0.000 0.277 402 C C 2.497 177.282 174.990 -0.340 0.000 1.249 402 C CA 1.081 59.793 59.018 -0.511 0.000 1.725 402 C CB -1.529 26.195 27.740 -0.027 0.000 2.028 402 C HN 0.721 nan 8.230 nan 0.000 0.477 403 Y N 0.101 120.189 120.300 -0.353 0.000 2.145 403 Y HA -0.180 4.366 4.550 -0.007 0.000 0.286 403 Y C 2.131 177.796 175.900 -0.391 0.000 1.145 403 Y CA 1.717 59.600 58.100 -0.360 0.000 1.148 403 Y CB -0.620 37.577 38.460 -0.438 0.000 0.981 403 Y HN 0.435 nan 8.280 nan 0.000 0.507 404 Y N 0.218 120.387 120.300 -0.218 0.000 2.523 404 Y HA 0.095 4.641 4.550 -0.007 0.000 0.279 404 Y C 0.786 176.598 175.900 -0.146 0.000 1.139 404 Y CA 0.500 58.487 58.100 -0.189 0.000 1.296 404 Y CB -0.447 38.011 38.460 -0.004 0.000 1.045 404 Y HN 0.142 nan 8.280 nan 0.000 0.538 405 Q N 0.640 120.350 119.800 -0.149 0.000 2.452 405 Q HA -0.273 4.064 4.340 -0.006 0.000 0.318 405 Q C -0.273 175.785 176.000 0.095 0.000 1.386 405 Q CA 0.861 56.568 55.803 -0.160 0.000 0.872 405 Q CB -1.195 27.532 28.738 -0.019 0.000 1.151 405 Q HN 0.440 nan 8.270 nan 0.000 0.417 406 K N 0.605 121.073 120.400 0.114 0.000 2.498 406 K HA 0.626 4.943 4.320 -0.006 0.000 0.254 406 K C -1.333 175.333 176.600 0.110 0.000 0.933 406 K CA -0.698 55.695 56.287 0.176 0.000 0.806 406 K CB 1.339 33.975 32.500 0.227 0.000 1.301 406 K HN 0.134 nan 8.250 nan 0.000 0.432 407 L N 5.026 126.244 121.223 -0.009 0.000 2.305 407 L HA 0.525 4.861 4.340 -0.006 0.000 0.284 407 L C -2.160 174.604 176.870 -0.176 0.000 1.013 407 L CA -2.297 52.425 54.840 -0.197 0.000 0.819 407 L CB 1.548 43.436 42.059 -0.285 0.000 1.227 407 L HN 0.515 nan 8.230 nan 0.000 0.417 408 P HA 0.167 nan 4.420 nan 0.000 0.271 408 P C -2.643 174.587 177.300 -0.117 0.000 1.218 408 P CA -1.338 61.594 63.100 -0.280 0.000 0.780 408 P CB 0.115 31.606 31.700 -0.348 0.000 0.901 409 P HA 0.122 nan 4.420 nan 0.000 0.276 409 P C -0.478 176.828 177.300 0.010 0.000 1.244 409 P CA -0.058 63.020 63.100 -0.035 0.000 0.801 409 P CB 0.353 32.017 31.700 -0.060 0.000 1.006 410 T N 2.701 117.300 114.554 0.074 0.000 2.729 410 T HA 0.304 4.651 4.350 -0.006 0.000 0.296 410 T C 0.566 175.292 174.700 0.043 0.000 0.928 410 T CA -0.273 61.882 62.100 0.092 0.000 1.045 410 T CB -0.249 68.747 68.868 0.213 0.000 0.902 410 T HN 0.177 nan 8.240 nan 0.000 0.500 411 L N 3.854 125.076 121.223 -0.002 0.000 2.452 411 L HA 0.225 4.561 4.340 -0.006 0.000 0.267 411 L C 1.056 177.915 176.870 -0.018 0.000 1.188 411 L CA -0.489 54.338 54.840 -0.021 0.000 0.821 411 L CB 0.163 42.194 42.059 -0.047 0.000 1.102 411 L HN 0.707 nan 8.230 nan 0.000 0.470 412 N N 0.011 118.699 118.700 -0.019 0.000 2.900 412 N HA -0.209 4.527 4.740 -0.006 0.000 0.240 412 N C -0.284 175.261 175.510 0.059 0.000 0.953 412 N CA 0.747 53.778 53.050 -0.031 0.000 0.950 412 N CB -0.998 37.419 38.487 -0.115 0.000 1.102 412 N HN 0.333 nan 8.380 nan 0.000 0.593 413 L N 2.889 124.171 121.223 0.097 0.000 2.387 413 L HA 0.194 4.531 4.340 -0.006 0.000 0.267 413 L C 1.068 178.013 176.870 0.125 0.000 1.197 413 L CA 0.138 55.074 54.840 0.161 0.000 1.070 413 L CB 0.251 42.382 42.059 0.121 0.000 1.349 413 L HN 0.062 nan 8.230 nan 0.000 0.422 414 D N 0.715 121.208 120.400 0.155 0.000 2.333 414 D HA 0.036 4.672 4.640 -0.006 0.000 0.208 414 D C 0.503 176.824 176.300 0.035 0.000 0.984 414 D CA 0.530 54.582 54.000 0.088 0.000 0.873 414 D CB -0.167 40.692 40.800 0.099 0.000 0.935 414 D HN 0.404 nan 8.370 nan 0.000 0.521 415 C N -1.302 117.977 119.300 -0.035 0.000 3.321 415 C HA 0.885 5.341 4.460 -0.006 0.000 0.329 415 C C -0.993 173.892 174.990 -0.175 0.000 1.394 415 C CA -0.591 58.373 59.018 -0.090 0.000 1.291 415 C CB 1.473 29.149 27.740 -0.107 0.000 1.606 415 C HN 0.287 nan 8.230 nan 0.000 0.463 416 S N -0.500 115.147 115.700 -0.089 0.000 2.596 416 S HA 0.683 5.150 4.470 -0.006 0.000 0.270 416 S C -1.329 173.297 174.600 0.043 0.000 1.155 416 S CA -0.687 57.476 58.200 -0.061 0.000 0.827 416 S CB 1.114 64.331 63.200 0.029 0.000 1.130 416 S HN 0.934 nan 8.310 nan 0.000 0.467 417 E N 0.963 121.246 120.200 0.139 0.000 2.392 417 E HA 0.235 4.581 4.350 -0.006 0.000 0.256 417 E C -1.694 175.022 176.600 0.193 0.000 1.145 417 E CA -1.957 54.553 56.400 0.182 0.000 0.929 417 E CB 0.195 30.057 29.700 0.270 0.000 0.998 417 E HN 0.368 nan 8.360 nan 0.000 0.442 418 P HA -0.266 nan 4.420 nan 0.000 0.216 418 P C 1.014 178.355 177.300 0.069 0.000 1.153 418 P CA 1.536 64.686 63.100 0.083 0.000 0.858 418 P CB 0.029 31.759 31.700 0.049 0.000 0.789 419 E N -0.901 119.299 120.200 -0.001 0.000 2.265 419 E HA -0.152 4.195 4.350 -0.006 0.000 0.196 419 E C -0.044 176.412 176.600 -0.240 0.000 0.996 419 E CA 0.608 56.911 56.400 -0.162 0.000 0.832 419 E CB -0.770 28.747 29.700 -0.306 0.000 0.756 419 E HN 0.202 nan 8.360 nan 0.000 0.491 420 F N 2.998 123.003 119.950 0.092 0.000 2.425 420 F HA 0.175 4.699 4.527 -0.006 0.000 0.354 420 F C 0.095 176.044 175.800 0.248 0.000 1.162 420 F CA -0.773 57.323 58.000 0.160 0.000 1.250 420 F CB 0.740 39.754 39.000 0.023 0.000 1.579 420 F HN 0.047 nan 8.300 nan 0.000 0.589 421 D N 0.976 121.551 120.400 0.291 0.000 2.479 421 D HA 0.111 4.747 4.640 -0.006 0.000 0.218 421 D C 0.268 176.629 176.300 0.101 0.000 1.177 421 D CA 0.198 54.327 54.000 0.215 0.000 0.830 421 D CB -0.079 40.852 40.800 0.217 0.000 1.014 421 D HN 0.290 nan 8.370 nan 0.000 0.503 422 L N 0.014 121.116 121.223 -0.201 0.000 2.488 422 L HA 0.287 4.624 4.340 -0.006 0.000 0.249 422 L C 0.635 177.055 176.870 -0.751 0.000 1.151 422 L CA -1.019 53.467 54.840 -0.590 0.000 0.806 422 L CB 0.265 41.796 42.059 -0.880 0.000 1.261 422 L HN -0.123 nan 8.230 nan 0.000 0.484 423 N N -0.176 118.183 118.700 -0.568 0.000 2.439 423 N HA 0.073 4.809 4.740 -0.006 0.000 0.243 423 N C -0.469 174.745 175.510 -0.493 0.000 1.088 423 N CA 0.032 52.855 53.050 -0.378 0.000 0.940 423 N CB 0.103 38.511 38.487 -0.131 0.000 1.180 423 N HN 0.318 nan 8.380 nan 0.000 0.505 424 Y N 2.485 122.722 120.300 -0.104 0.000 2.583 424 Y HA 0.189 4.735 4.550 -0.007 0.000 0.294 424 Y C 0.875 176.773 175.900 -0.004 0.000 1.170 424 Y CA -0.519 57.505 58.100 -0.127 0.000 1.265 424 Y CB -0.153 38.157 38.460 -0.250 0.000 1.119 424 Y HN 0.223 nan 8.280 nan 0.000 0.522 425 V N 0.623 120.589 119.914 0.086 0.000 5.830 425 V HA -0.233 3.883 4.120 -0.006 0.000 0.274 425 V C -2.446 173.705 176.094 0.095 0.000 0.632 425 V CA -0.603 61.747 62.300 0.082 0.000 0.594 425 V CB -1.677 30.189 31.823 0.071 0.000 0.249 425 V HN 0.270 nan 8.190 nan 0.000 0.697 426 P HA 0.378 nan 4.420 nan 0.000 0.271 426 P C 1.196 178.529 177.300 0.055 0.000 1.220 426 P CA 0.401 63.561 63.100 0.099 0.000 0.768 426 P CB 1.613 33.376 31.700 0.104 0.000 0.848 427 L N -1.037 120.210 121.223 0.039 0.000 3.530 427 L HA -0.272 4.064 4.340 -0.006 0.000 0.357 427 L C 0.567 177.429 176.870 -0.014 0.000 2.051 427 L CA 1.713 56.559 54.840 0.010 0.000 2.804 427 L CB -1.515 40.553 42.059 0.016 0.000 1.640 427 L HN 0.450 nan 8.230 nan 0.000 0.757 428 K N 0.687 121.081 120.400 -0.009 0.000 2.316 428 K HA 0.734 5.051 4.320 -0.006 0.000 0.251 428 K C -0.179 176.400 176.600 -0.034 0.000 0.934 428 K CA 0.236 56.505 56.287 -0.030 0.000 0.802 428 K CB 1.978 34.467 32.500 -0.018 0.000 1.171 428 K HN 0.201 nan 8.250 nan 0.000 0.426 429 A N 2.560 125.336 122.820 -0.073 0.000 2.520 429 A HA 0.070 4.386 4.320 -0.006 0.000 0.235 429 A C -0.248 177.324 177.584 -0.021 0.000 1.065 429 A CA 0.373 52.359 52.037 -0.084 0.000 0.764 429 A CB 0.094 18.998 19.000 -0.158 0.000 1.002 429 A HN 0.650 nan 8.150 nan 0.000 0.502 430 Q N 0.766 120.577 119.800 0.018 0.000 2.342 430 Q HA 0.333 4.669 4.340 -0.006 0.000 0.267 430 Q C -0.781 175.305 176.000 0.145 0.000 1.038 430 Q CA -0.889 54.971 55.803 0.096 0.000 0.832 430 Q CB 1.840 30.682 28.738 0.172 0.000 1.323 430 Q HN 0.748 nan 8.270 nan 0.000 0.448 431 E N 1.229 121.517 120.200 0.146 0.000 2.383 431 E HA 0.118 4.464 4.350 -0.006 0.000 0.264 431 E C -0.870 175.926 176.600 0.326 0.000 1.050 431 E CA 0.319 56.825 56.400 0.177 0.000 0.896 431 E CB 1.299 31.056 29.700 0.095 0.000 0.982 431 E HN 0.497 nan 8.360 nan 0.000 0.424 437 R N 1.056 121.619 120.500 0.106 0.000 2.590 437 R HA 0.138 4.475 4.340 -0.006 0.000 0.274 437 R C -0.908 175.513 176.300 0.202 0.000 1.061 437 R CA -0.066 56.120 56.100 0.145 0.000 1.081 437 R CB 0.265 30.633 30.300 0.112 0.000 0.984 437 R HN 0.525 nan 8.270 nan 0.000 0.448 438 F N 6.164 126.189 119.950 0.126 0.000 2.444 438 F HA 0.319 4.843 4.527 -0.006 0.000 0.360 438 F C -0.489 175.390 175.800 0.132 0.000 1.106 438 F CA -0.214 57.885 58.000 0.165 0.000 1.170 438 F CB 0.422 39.525 39.000 0.172 0.000 1.113 438 F HN 0.318 nan 8.300 nan 0.000 0.521 439 I N 5.888 126.455 120.570 -0.006 0.000 2.466 439 I HA 0.478 4.644 4.170 -0.006 0.000 0.289 439 I C 0.165 176.267 176.117 -0.025 0.000 1.026 439 I CA -0.756 60.589 61.300 0.074 0.000 1.078 439 I CB 1.781 39.818 38.000 0.061 0.000 1.249 439 I HN 0.658 nan 8.210 nan 0.000 0.429 440 G N 6.153 115.033 108.800 0.134 0.000 2.473 440 G HA2 0.826 4.782 3.960 -0.006 0.000 0.321 440 G HA3 0.826 4.782 3.960 -0.006 0.000 0.321 440 G C -1.080 173.853 174.900 0.056 0.000 1.200 440 G CA -0.612 44.563 45.100 0.124 0.000 0.963 440 G HN 0.411 nan 8.290 nan 0.000 0.483 441 L N 0.110 121.316 121.223 -0.028 0.000 2.342 441 L HA 0.707 5.043 4.340 -0.006 0.000 0.271 441 L C 0.066 176.893 176.870 -0.073 0.000 1.008 441 L CA -0.854 53.976 54.840 -0.018 0.000 0.818 441 L CB 2.603 44.676 42.059 0.023 0.000 1.296 441 L HN 0.554 nan 8.230 nan 0.000 0.427 442 T N 0.724 115.252 114.554 -0.043 0.000 2.848 442 T HA 0.470 4.816 4.350 -0.006 0.000 0.285 442 T C -0.862 173.776 174.700 -0.103 0.000 0.995 442 T CA -0.668 61.389 62.100 -0.072 0.000 0.970 442 T CB 0.913 69.761 68.868 -0.034 0.000 0.976 442 T HN 0.486 nan 8.240 nan 0.000 0.441 443 N N 2.483 121.073 118.700 -0.184 0.000 2.362 443 N HA 0.612 5.348 4.740 -0.006 0.000 0.298 443 N C -1.298 173.862 175.510 -0.582 0.000 1.048 443 N CA -0.565 52.240 53.050 -0.407 0.000 0.858 443 N CB 2.037 40.217 38.487 -0.512 0.000 1.218 443 N HN 0.531 nan 8.380 nan 0.000 0.488 444 S N 1.591 116.839 115.700 -0.754 0.000 2.733 444 S HA 0.560 5.026 4.470 -0.006 0.000 0.294 444 S C -1.308 172.821 174.600 -0.785 0.000 1.149 444 S CA -0.603 57.182 58.200 -0.691 0.000 1.034 444 S CB 0.377 63.396 63.200 -0.303 0.000 1.015 444 S HN 0.274 nan 8.310 nan 0.000 0.486 445 F N 1.425 120.830 119.950 -0.908 0.000 2.493 445 F HA 0.775 5.298 4.527 -0.006 0.000 0.329 445 F C 0.757 176.285 175.800 -0.454 0.000 1.126 445 F CA -1.065 56.596 58.000 -0.565 0.000 0.937 445 F CB 1.645 40.394 39.000 -0.418 0.000 1.146 445 F HN 0.626 nan 8.300 nan 0.000 0.442 446 G N 1.283 110.095 108.800 0.019 0.000 2.537 446 G HA2 0.591 4.547 3.960 -0.006 0.000 0.308 446 G HA3 0.591 4.547 3.960 -0.006 0.000 0.308 446 G C -1.309 173.670 174.900 0.132 0.000 1.237 446 G CA -0.784 44.386 45.100 0.117 0.000 0.968 446 G HN 0.268 nan 8.290 nan 0.000 0.481 447 F N 0.507 120.515 119.950 0.097 0.000 2.629 447 F HA 0.312 4.836 4.527 -0.006 0.000 0.377 447 F C 1.664 177.501 175.800 0.063 0.000 1.101 447 F CA 1.988 60.042 58.000 0.090 0.000 1.301 447 F CB 0.859 39.920 39.000 0.101 0.000 1.062 447 F HN 0.930 nan 8.300 nan 0.000 0.583 448 G N 1.194 110.101 108.800 0.179 0.000 2.157 448 G HA2 0.041 3.997 3.960 -0.006 0.000 0.239 448 G HA3 0.041 3.997 3.960 -0.006 0.000 0.239 448 G C 0.937 175.875 174.900 0.065 0.000 0.982 448 G CA 0.157 45.320 45.100 0.106 0.000 0.650 448 G HN 1.891 nan 8.290 nan 0.000 0.527 449 G N -1.267 107.563 108.800 0.050 0.000 2.153 449 G HA2 0.036 3.992 3.960 -0.006 0.000 0.252 449 G HA3 0.036 3.992 3.960 -0.006 0.000 0.252 449 G C 0.524 175.447 174.900 0.039 0.000 0.994 449 G CA 1.491 46.604 45.100 0.022 0.000 0.698 449 G HN 2.072 nan 8.290 nan 0.000 0.521 450 T N 0.723 115.326 114.554 0.082 0.000 2.749 450 T HA 0.546 4.892 4.350 -0.006 0.000 0.295 450 T C 0.022 174.800 174.700 0.130 0.000 0.936 450 T CA -0.361 61.813 62.100 0.123 0.000 1.060 450 T CB 0.234 69.214 68.868 0.186 0.000 0.904 450 T HN 0.303 nan 8.240 nan 0.000 0.500 451 N N 3.025 121.809 118.700 0.140 0.000 2.269 451 N HA 0.729 5.465 4.740 -0.006 0.000 0.304 451 N C -1.231 174.366 175.510 0.144 0.000 1.072 451 N CA -0.613 52.560 53.050 0.206 0.000 0.802 451 N CB 2.116 40.709 38.487 0.177 0.000 1.348 451 N HN 0.775 nan 8.380 nan 0.000 0.484 452 A N 0.592 123.463 122.820 0.085 0.000 2.515 452 A HA 0.782 5.098 4.320 -0.006 0.000 0.298 452 A C -0.892 176.726 177.584 0.057 0.000 1.059 452 A CA -0.506 51.563 52.037 0.053 0.000 0.698 452 A CB 1.432 20.381 19.000 -0.085 0.000 1.289 452 A HN 0.442 nan 8.150 nan 0.000 0.404 453 T N 1.904 116.534 114.554 0.126 0.000 2.886 453 T HA 0.612 4.958 4.350 -0.006 0.000 0.292 453 T C -0.787 173.999 174.700 0.142 0.000 1.012 453 T CA -0.255 61.901 62.100 0.094 0.000 0.982 453 T CB 0.968 69.906 68.868 0.117 0.000 1.018 453 T HN 0.495 nan 8.240 nan 0.000 0.451 454 L N 1.712 122.973 121.223 0.062 0.000 2.329 454 L HA 0.646 4.983 4.340 -0.006 0.000 0.279 454 L C -0.144 176.729 176.870 0.006 0.000 1.014 454 L CA -0.932 53.924 54.840 0.027 0.000 0.814 454 L CB 1.675 43.700 42.059 -0.056 0.000 1.257 454 L HN 0.679 nan 8.230 nan 0.000 0.424 455 C N 5.314 124.604 119.300 -0.018 0.000 2.281 455 C HA 0.720 5.176 4.460 -0.006 0.000 0.325 455 C C -0.250 174.708 174.990 -0.053 0.000 1.282 455 C CA -0.451 58.563 59.018 -0.007 0.000 1.640 455 C CB -0.649 27.102 27.740 0.019 0.000 2.288 455 C HN 0.683 nan 8.230 nan 0.000 0.507 456 I N 5.450 126.024 120.570 0.005 0.000 2.582 456 I HA 0.676 4.842 4.170 -0.006 0.000 0.292 456 I C 0.076 176.253 176.117 0.101 0.000 1.066 456 I CA -0.177 61.131 61.300 0.012 0.000 1.053 456 I CB 1.916 39.926 38.000 0.017 0.000 1.241 456 I HN 0.789 nan 8.210 nan 0.000 0.421 457 A N 3.758 126.636 122.820 0.097 0.000 2.454 457 A HA 0.866 5.182 4.320 -0.006 0.000 0.302 457 A C -0.118 177.562 177.584 0.160 0.000 1.079 457 A CA -0.593 51.542 52.037 0.164 0.000 0.731 457 A CB 1.420 20.491 19.000 0.119 0.000 1.299 457 A HN 0.783 nan 8.150 nan 0.000 0.413 458 G N -0.382 108.547 108.800 0.214 0.000 2.594 458 G HA2 0.475 4.432 3.960 -0.006 0.000 0.243 458 G HA3 0.475 4.432 3.960 -0.006 0.000 0.243 458 G C -0.431 174.544 174.900 0.125 0.000 1.229 458 G CA 0.062 45.252 45.100 0.150 0.000 0.843 458 G HN 0.684 nan 8.290 nan 0.000 0.578 459 L N 0.000 121.288 121.223 0.109 0.000 2.949 459 L HA 0.000 4.336 4.340 -0.006 0.000 0.249 459 L CA 0.000 54.902 54.840 0.103 0.000 0.813 459 L CB 0.000 42.135 42.059 0.126 0.000 0.961 459 L HN 0.000 nan 8.230 nan 0.000 0.502