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 2o0b_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTWPAPTAP TPVRATVTVP GSKSQTNRAL VLAALAAAQG RGASTISGAL DATA SEQUENCE RSRDTELMLD ALQTLGLRVD GVGSELTVSG RIEPGPGARV DCGLAGTVLR DATA SEQUENCE FVPPLAALGS VPVTFDGDQQ ARGRPIAPLL DALRELGVAV DGTGLPFRVR DATA SEQUENCE GNGSLAGGTV AIDASASSQF VSGLLLSAAS FTDGLTVQHT GSSLPSAPHI DATA SEQUENCE AMTAAMLRQA GVDIDDSTPN RWQVRPGPVA ARRWDIEPDL TNAVAFLSAA DATA SEQUENCE VVSGGTVRIT GWPRVSVQPA DHILAILRQL NAVVIHADSS LEVRGPTGYD DATA SEQUENCE GFDVDLRAVG ELTPSVAALA ALASPGSVSR LSGIAHLRGH ETDRLAALST DATA SEQUENCE EINRLGGTCR ETPDGLVITA TPLRPGIWRA YADHRMAMAG AIIGLRVAGV DATA SEQUENCE EVDDIAATTK TLPEFPRLWA EMVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.038 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 K N 2.687 123.117 120.400 0.050 0.000 2.436 2 K HA 0.275 4.591 4.320 -0.007 0.000 0.275 2 K C 0.052 176.709 176.600 0.094 0.000 0.999 2 K CA 0.411 56.736 56.287 0.064 0.000 0.980 2 K CB 0.805 33.346 32.500 0.069 0.000 0.919 2 K HN 0.710 nan 8.250 nan 0.000 0.484 3 T N 0.750 115.364 114.554 0.098 0.000 2.766 3 T HA 0.068 4.414 4.350 -0.007 0.000 0.295 3 T C -0.529 174.303 174.700 0.221 0.000 1.024 3 T CA -0.581 61.607 62.100 0.146 0.000 1.018 3 T CB 0.453 69.390 68.868 0.116 0.000 1.002 3 T HN 0.677 nan 8.240 nan 0.000 0.532 4 W N 3.978 125.306 121.300 0.046 0.000 2.361 4 W HA 0.483 5.139 4.660 -0.007 0.000 0.314 4 W C -2.563 173.989 176.519 0.054 0.000 1.041 4 W CA -2.926 54.451 57.345 0.052 0.000 1.241 4 W CB 1.397 30.891 29.460 0.057 0.000 1.279 4 W HN 0.544 nan 8.180 nan 0.000 0.436 5 P HA 0.195 nan 4.420 nan 0.000 0.282 5 P C -0.579 176.205 177.300 -0.860 0.000 1.262 5 P CA 0.035 62.898 63.100 -0.396 0.000 0.773 5 P CB 1.171 32.709 31.700 -0.270 0.000 0.879 6 A N 6.948 129.435 122.820 -0.555 0.000 2.396 6 A HA 0.431 4.747 4.320 -0.007 0.000 0.279 6 A C -1.854 175.576 177.584 -0.257 0.000 1.165 6 A CA -1.465 50.252 52.037 -0.534 0.000 0.824 6 A CB -0.726 18.231 19.000 -0.072 0.000 1.100 6 A HN 0.417 nan 8.150 nan 0.000 0.516 7 P HA 0.153 nan 4.420 nan 0.000 0.271 7 P C 0.267 177.575 177.300 0.014 0.000 1.218 7 P CA 0.165 63.224 63.100 -0.068 0.000 0.780 7 P CB 0.681 32.366 31.700 -0.025 0.000 0.901 8 T N -1.392 113.154 114.554 -0.014 0.000 2.899 8 T HA 0.580 4.926 4.350 -0.007 0.000 0.284 8 T C 0.177 174.872 174.700 -0.009 0.000 1.004 8 T CA -0.839 61.262 62.100 0.002 0.000 1.043 8 T CB 0.781 69.644 68.868 -0.008 0.000 1.013 8 T HN 0.435 nan 8.240 nan 0.000 0.518 9 A N 3.026 125.844 122.820 -0.003 0.000 2.644 9 A HA 0.562 4.878 4.320 -0.007 0.000 0.343 9 A C -1.395 176.182 177.584 -0.011 0.000 1.324 9 A CA -1.538 50.488 52.037 -0.019 0.000 0.846 9 A CB 0.230 19.215 19.000 -0.023 0.000 1.128 9 A HN 0.744 nan 8.150 nan 0.000 0.484 10 P HA -0.000 nan 4.420 nan 0.000 0.233 10 P C 0.528 177.821 177.300 -0.011 0.000 1.167 10 P CA 1.330 64.424 63.100 -0.011 0.000 0.770 10 P CB 0.075 31.768 31.700 -0.012 0.000 0.837 11 T N -5.026 109.519 114.554 -0.015 0.000 2.841 11 T HA 0.564 4.910 4.350 -0.007 0.000 0.296 11 T C -3.273 171.415 174.700 -0.020 0.000 1.166 11 T CA -2.473 59.617 62.100 -0.015 0.000 1.007 11 T CB 1.169 70.026 68.868 -0.018 0.000 1.253 11 T HN -0.348 nan 8.240 nan 0.000 0.511 12 P HA 0.258 nan 4.420 nan 0.000 0.265 12 P C -0.530 176.748 177.300 -0.036 0.000 1.193 12 P CA -0.408 62.679 63.100 -0.021 0.000 0.765 12 P CB 0.277 31.967 31.700 -0.016 0.000 0.823 13 V N 5.561 125.447 119.914 -0.048 0.000 2.555 13 V HA 0.191 4.307 4.120 -0.007 0.000 0.286 13 V C 0.842 176.899 176.094 -0.062 0.000 1.044 13 V CA 0.227 62.483 62.300 -0.073 0.000 1.026 13 V CB 0.063 31.820 31.823 -0.110 0.000 0.981 13 V HN 0.462 nan 8.190 nan 0.000 0.480 14 R N 3.495 123.958 120.500 -0.062 0.000 2.473 14 R HA 0.787 5.123 4.340 -0.007 0.000 0.303 14 R C -0.739 175.528 176.300 -0.054 0.000 1.002 14 R CA -0.293 55.777 56.100 -0.051 0.000 0.884 14 R CB 2.045 32.320 30.300 -0.040 0.000 1.173 14 R HN 0.846 nan 8.270 nan 0.000 0.464 15 A N 1.537 124.326 122.820 -0.052 0.000 2.605 15 A HA 0.588 4.903 4.320 -0.007 0.000 0.294 15 A C -1.050 176.506 177.584 -0.047 0.000 1.062 15 A CA -0.665 51.340 52.037 -0.053 0.000 0.682 15 A CB 2.122 21.082 19.000 -0.066 0.000 1.278 15 A HN 0.408 nan 8.150 nan 0.000 0.410 16 T N 1.201 115.727 114.554 -0.046 0.000 2.779 16 T HA 0.602 4.947 4.350 -0.007 0.000 0.280 16 T C -0.678 173.982 174.700 -0.066 0.000 0.987 16 T CA -0.293 61.780 62.100 -0.046 0.000 0.966 16 T CB 1.092 69.940 68.868 -0.034 0.000 0.933 16 T HN 0.712 nan 8.240 nan 0.000 0.442 17 V N 3.210 123.070 119.914 -0.089 0.000 2.656 17 V HA 0.524 4.640 4.120 -0.007 0.000 0.307 17 V C 0.051 176.057 176.094 -0.146 0.000 1.051 17 V CA -0.835 61.361 62.300 -0.173 0.000 0.893 17 V CB 2.342 33.970 31.823 -0.325 0.000 0.999 17 V HN 0.923 nan 8.190 nan 0.000 0.426 18 T N 4.031 118.495 114.554 -0.150 0.000 2.756 18 T HA 0.510 4.856 4.350 -0.007 0.000 0.290 18 T C -0.224 174.390 174.700 -0.144 0.000 0.985 18 T CA -0.351 61.689 62.100 -0.099 0.000 0.955 18 T CB 1.255 70.092 68.868 -0.052 0.000 0.930 18 T HN 0.687 nan 8.240 nan 0.000 0.451 19 V N 3.145 122.995 119.914 -0.107 0.000 2.539 19 V HA 0.716 4.832 4.120 -0.007 0.000 0.292 19 V C -2.055 174.038 176.094 -0.002 0.000 1.045 19 V CA -2.241 60.022 62.300 -0.061 0.000 0.945 19 V CB 0.677 32.500 31.823 0.000 0.000 0.993 19 V HN 0.583 nan 8.190 nan 0.000 0.464 20 P HA 0.277 nan 4.420 nan 0.000 0.286 20 P C 0.448 177.765 177.300 0.028 0.000 1.293 20 P CA 0.101 63.218 63.100 0.029 0.000 0.770 20 P CB 0.388 32.113 31.700 0.043 0.000 1.206 21 G N -0.292 108.521 108.800 0.023 0.000 2.664 21 G HA2 0.160 4.116 3.960 -0.007 0.000 0.242 21 G HA3 0.160 4.116 3.960 -0.007 0.000 0.242 21 G C 0.048 174.959 174.900 0.018 0.000 1.225 21 G CA -0.245 44.865 45.100 0.015 0.000 0.849 21 G HN 0.539 nan 8.290 nan 0.000 0.581 22 S N -0.161 115.544 115.700 0.008 0.000 2.525 22 S HA 0.032 4.498 4.470 -0.007 0.000 0.285 22 S C 1.635 176.249 174.600 0.023 0.000 1.283 22 S CA -0.244 57.965 58.200 0.015 0.000 1.072 22 S CB 0.794 63.994 63.200 0.000 0.000 0.867 22 S HN 0.676 nan 8.310 nan 0.000 0.492 23 K N 3.788 124.208 120.400 0.033 0.000 2.026 23 K HA -0.076 4.240 4.320 -0.007 0.000 0.208 23 K C 1.934 178.549 176.600 0.025 0.000 1.048 23 K CA 1.897 58.194 56.287 0.016 0.000 0.929 23 K CB -0.748 31.757 32.500 0.009 0.000 0.713 23 K HN 0.669 nan 8.250 nan 0.000 0.439 24 S N 1.213 116.951 115.700 0.063 0.000 2.368 24 S HA -0.170 4.296 4.470 -0.007 0.000 0.225 24 S C 1.972 176.623 174.600 0.084 0.000 1.030 24 S CA 1.344 59.613 58.200 0.115 0.000 0.999 24 S CB -0.180 63.163 63.200 0.239 0.000 0.844 24 S HN 0.436 nan 8.310 nan 0.000 0.459 25 Q N 0.318 120.142 119.800 0.039 0.000 2.083 25 Q HA -0.100 4.236 4.340 -0.007 0.000 0.198 25 Q C 1.969 177.939 176.000 -0.051 0.000 0.969 25 Q CA 1.408 57.208 55.803 -0.006 0.000 0.838 25 Q CB -0.218 28.522 28.738 0.004 0.000 0.900 25 Q HN 0.470 nan 8.270 nan 0.000 0.436 26 T N 1.274 115.811 114.554 -0.028 0.000 2.708 26 T HA -0.112 4.234 4.350 -0.007 0.000 0.266 26 T C 1.472 176.128 174.700 -0.073 0.000 1.037 26 T CA 1.484 63.553 62.100 -0.051 0.000 1.146 26 T CB -0.226 68.629 68.868 -0.022 0.000 0.865 26 T HN 0.299 nan 8.240 nan 0.000 0.435 27 N N 0.611 119.298 118.700 -0.022 0.000 2.270 27 N HA 0.058 4.793 4.740 -0.007 0.000 0.181 27 N C 2.007 177.539 175.510 0.037 0.000 1.016 27 N CA 0.662 53.721 53.050 0.015 0.000 0.870 27 N CB -0.168 38.339 38.487 0.032 0.000 0.979 27 N HN 0.352 nan 8.380 nan 0.000 0.431 28 R N 0.440 120.939 120.500 -0.001 0.000 2.081 28 R HA 0.047 4.383 4.340 -0.007 0.000 0.235 28 R C 2.114 178.201 176.300 -0.355 0.000 1.131 28 R CA 1.357 57.372 56.100 -0.142 0.000 0.960 28 R CB -0.302 29.902 30.300 -0.162 0.000 0.856 28 R HN 0.161 nan 8.270 nan 0.000 0.436 29 A N 1.031 123.548 122.820 -0.505 0.000 1.933 29 A HA -0.125 4.191 4.320 -0.007 0.000 0.218 29 A C 2.147 179.392 177.584 -0.565 0.000 1.175 29 A CA 1.112 52.573 52.037 -0.959 0.000 0.628 29 A CB -0.506 17.954 19.000 -0.900 0.000 0.814 29 A HN 0.181 nan 8.150 nan 0.000 0.444 30 L N -0.631 120.424 121.223 -0.280 0.000 2.017 30 L HA -0.183 4.152 4.340 -0.007 0.000 0.208 30 L C 2.570 179.375 176.870 -0.108 0.000 1.073 30 L CA 1.283 56.038 54.840 -0.142 0.000 0.745 30 L CB -0.563 41.455 42.059 -0.069 0.000 0.894 30 L HN 0.257 nan 8.230 nan 0.000 0.432 31 V N 0.047 119.903 119.914 -0.096 0.000 2.295 31 V HA -0.300 3.815 4.120 -0.007 0.000 0.246 31 V C 2.366 178.410 176.094 -0.085 0.000 1.049 31 V CA 1.735 64.000 62.300 -0.058 0.000 1.024 31 V CB -0.395 31.410 31.823 -0.030 0.000 0.648 31 V HN 0.342 nan 8.190 nan 0.000 0.447 32 L N -0.004 121.123 121.223 -0.159 0.000 2.056 32 L HA -0.134 4.202 4.340 -0.007 0.000 0.207 32 L C 2.725 179.608 176.870 0.022 0.000 1.078 32 L CA 1.509 56.301 54.840 -0.080 0.000 0.749 32 L CB -0.803 41.176 42.059 -0.134 0.000 0.901 32 L HN 0.357 nan 8.230 nan 0.000 0.433 33 A N 0.066 122.879 122.820 -0.012 0.000 1.933 33 A HA -0.162 4.154 4.320 -0.007 0.000 0.218 33 A C 2.537 180.151 177.584 0.049 0.000 1.175 33 A CA 1.683 53.773 52.037 0.087 0.000 0.628 33 A CB -0.647 18.390 19.000 0.063 0.000 0.814 33 A HN 0.400 nan 8.150 nan 0.000 0.444 34 A N -0.271 122.555 122.820 0.010 0.000 1.902 34 A HA -0.039 4.276 4.320 -0.007 0.000 0.217 34 A C 2.165 179.758 177.584 0.014 0.000 1.181 34 A CA 1.506 53.550 52.037 0.011 0.000 0.623 34 A CB -0.590 18.412 19.000 0.003 0.000 0.818 34 A HN 0.466 nan 8.150 nan 0.000 0.443 35 L N -0.777 120.453 121.223 0.011 0.000 2.046 35 L HA -0.190 4.146 4.340 -0.007 0.000 0.208 35 L C 3.105 179.990 176.870 0.025 0.000 1.077 35 L CA 1.118 55.964 54.840 0.010 0.000 0.747 35 L CB -0.504 41.557 42.059 0.003 0.000 0.896 35 L HN 0.429 nan 8.230 nan 0.000 0.432 36 A N -0.116 122.734 122.820 0.050 0.000 1.902 36 A HA -0.178 4.138 4.320 -0.007 0.000 0.217 36 A C 2.513 180.122 177.584 0.041 0.000 1.181 36 A CA 1.791 53.862 52.037 0.057 0.000 0.623 36 A CB -0.767 18.289 19.000 0.093 0.000 0.818 36 A HN 0.403 nan 8.150 nan 0.000 0.443 37 A N -0.183 122.661 122.820 0.040 0.000 1.898 37 A HA 0.188 4.504 4.320 -0.007 0.000 0.216 37 A C 2.494 180.088 177.584 0.017 0.000 1.181 37 A CA 2.012 54.067 52.037 0.029 0.000 0.620 37 A CB -1.020 17.997 19.000 0.028 0.000 0.819 37 A HN 1.090 nan 8.150 nan 0.000 0.442 38 A N -0.844 121.983 122.820 0.013 0.000 2.019 38 A HA -0.179 4.136 4.320 -0.007 0.000 0.219 38 A C 1.998 179.584 177.584 0.002 0.000 1.164 38 A CA 1.514 53.553 52.037 0.004 0.000 0.644 38 A CB -0.459 18.540 19.000 -0.002 0.000 0.805 38 A HN 0.659 nan 8.150 nan 0.000 0.449 39 Q N -1.728 118.076 119.800 0.006 0.000 2.444 39 Q HA 0.219 4.554 4.340 -0.007 0.000 0.206 39 Q C 0.999 177.004 176.000 0.009 0.000 0.948 39 Q CA 0.386 56.192 55.803 0.006 0.000 0.946 39 Q CB 0.102 28.846 28.738 0.010 0.000 1.027 39 Q HN 0.888 nan 8.270 nan 0.000 0.513 40 G N 1.344 110.151 108.800 0.011 0.000 2.131 40 G HA2 -0.269 3.687 3.960 -0.007 0.000 0.223 40 G HA3 -0.269 3.687 3.960 -0.007 0.000 0.223 40 G C 0.570 175.478 174.900 0.013 0.000 0.990 40 G CA -0.046 45.060 45.100 0.010 0.000 0.671 40 G HN 0.291 nan 8.290 nan 0.000 0.521 41 R N 0.345 120.856 120.500 0.018 0.000 2.317 41 R HA 0.420 4.756 4.340 -0.007 0.000 0.208 41 R C 1.580 177.893 176.300 0.021 0.000 0.914 41 R CA 0.738 56.850 56.100 0.020 0.000 1.060 41 R CB 0.190 30.505 30.300 0.025 0.000 1.015 41 R HN 1.506 nan 8.270 nan 0.000 0.498 42 G N 0.741 109.554 108.800 0.021 0.000 2.660 42 G HA2 -0.169 3.787 3.960 -0.007 0.000 0.247 42 G HA3 -0.169 3.787 3.960 -0.007 0.000 0.247 42 G C -0.679 174.240 174.900 0.032 0.000 1.328 42 G CA -0.525 44.588 45.100 0.022 0.000 0.884 42 G HN 0.352 nan 8.290 nan 0.000 0.531 43 A N -0.496 122.342 122.820 0.031 0.000 2.340 43 A HA 0.801 5.117 4.320 -0.007 0.000 0.268 43 A C 0.608 178.225 177.584 0.056 0.000 1.100 43 A CA 0.987 53.048 52.037 0.040 0.000 0.803 43 A CB 0.756 19.775 19.000 0.031 0.000 1.043 43 A HN 1.888 nan 8.150 nan 0.000 0.488 44 S N -0.142 115.607 115.700 0.082 0.000 2.526 44 S HA 0.678 5.144 4.470 -0.007 0.000 0.293 44 S C -0.440 174.237 174.600 0.129 0.000 1.092 44 S CA -0.467 57.808 58.200 0.126 0.000 0.980 44 S CB 1.911 65.249 63.200 0.229 0.000 1.048 44 S HN 0.756 nan 8.310 nan 0.000 0.483 45 T N 2.435 117.070 114.554 0.136 0.000 2.823 45 T HA 0.576 4.922 4.350 -0.007 0.000 0.279 45 T C -0.456 174.362 174.700 0.197 0.000 0.998 45 T CA -0.387 61.787 62.100 0.124 0.000 0.994 45 T CB 0.550 69.462 68.868 0.074 0.000 0.960 45 T HN 0.428 nan 8.240 nan 0.000 0.448 46 I N 2.464 123.133 120.570 0.164 0.000 2.355 46 I HA 0.368 4.534 4.170 -0.007 0.000 0.288 46 I C 0.342 176.527 176.117 0.112 0.000 0.999 46 I CA -0.525 60.883 61.300 0.180 0.000 1.163 46 I CB 1.539 39.597 38.000 0.097 0.000 1.316 46 I HN 0.480 nan 8.210 nan 0.000 0.454 47 S N 4.386 120.155 115.700 0.114 0.000 2.480 47 S HA 0.604 5.070 4.470 -0.007 0.000 0.286 47 S C 0.893 175.532 174.600 0.064 0.000 1.180 47 S CA 0.388 58.631 58.200 0.072 0.000 1.075 47 S CB 1.097 64.333 63.200 0.060 0.000 0.996 47 S HN 1.059 nan 8.310 nan 0.000 0.487 48 G N 2.660 111.487 108.800 0.044 0.000 2.148 48 G HA2 -0.148 3.807 3.960 -0.007 0.000 0.254 48 G HA3 -0.148 3.807 3.960 -0.007 0.000 0.254 48 G C 0.383 175.302 174.900 0.033 0.000 0.981 48 G CA 0.085 45.206 45.100 0.035 0.000 0.670 48 G HN 1.455 nan 8.290 nan 0.000 0.528 49 A N -0.414 122.426 122.820 0.034 0.000 2.561 49 A HA 0.499 4.815 4.320 -0.007 0.000 0.234 49 A C 0.764 178.358 177.584 0.017 0.000 1.055 49 A CA 0.590 52.641 52.037 0.022 0.000 0.756 49 A CB 0.370 19.381 19.000 0.017 0.000 0.986 49 A HN 1.675 nan 8.150 nan 0.000 0.505 50 L N 2.478 123.708 121.223 0.012 0.000 2.416 50 L HA 0.313 4.649 4.340 -0.007 0.000 0.272 50 L C 0.120 176.994 176.870 0.006 0.000 1.161 50 L CA 0.427 55.274 54.840 0.013 0.000 0.845 50 L CB 0.314 42.381 42.059 0.012 0.000 1.119 50 L HN 0.606 nan 8.230 nan 0.000 0.464 51 R N 4.173 124.679 120.500 0.009 0.000 2.239 51 R HA 0.541 4.877 4.340 -0.007 0.000 0.332 51 R C -0.616 175.685 176.300 0.002 0.000 0.988 51 R CA -0.222 55.880 56.100 0.004 0.000 0.859 51 R CB 0.579 30.884 30.300 0.008 0.000 1.148 51 R HN 0.856 nan 8.270 nan 0.000 0.482 52 S N 0.257 115.950 115.700 -0.012 0.000 2.656 52 S HA 0.396 4.862 4.470 -0.007 0.000 0.273 52 S C 0.752 175.327 174.600 -0.043 0.000 1.168 52 S CA -0.997 57.189 58.200 -0.023 0.000 0.817 52 S CB 2.335 65.519 63.200 -0.027 0.000 1.146 52 S HN 0.543 nan 8.310 nan 0.000 0.475 53 R N 0.240 120.703 120.500 -0.061 0.000 2.091 53 R HA -0.120 4.215 4.340 -0.007 0.000 0.238 53 R C 0.878 177.129 176.300 -0.082 0.000 1.136 53 R CA 2.233 58.290 56.100 -0.071 0.000 0.959 53 R CB -0.727 29.523 30.300 -0.085 0.000 0.856 53 R HN 0.736 nan 8.270 nan 0.000 0.437 54 D N -0.678 119.657 120.400 -0.108 0.000 2.144 54 D HA -0.131 4.505 4.640 -0.007 0.000 0.199 54 D C 1.891 178.144 176.300 -0.079 0.000 0.984 54 D CA 2.016 55.949 54.000 -0.112 0.000 0.834 54 D CB -0.240 40.473 40.800 -0.145 0.000 0.955 54 D HN 0.452 nan 8.370 nan 0.000 0.465 55 T N -1.874 112.644 114.554 -0.060 0.000 2.985 55 T HA -0.062 4.284 4.350 -0.007 0.000 0.266 55 T C 1.845 176.524 174.700 -0.036 0.000 1.076 55 T CA 0.975 63.049 62.100 -0.042 0.000 1.135 55 T CB 0.020 68.870 68.868 -0.030 0.000 0.890 55 T HN -0.093 nan 8.240 nan 0.000 0.480 56 E N 1.302 121.480 120.200 -0.037 0.000 2.072 56 E HA 0.034 4.380 4.350 -0.007 0.000 0.191 56 E C 2.016 178.594 176.600 -0.036 0.000 0.985 56 E CA 0.877 57.258 56.400 -0.032 0.000 0.801 56 E CB -0.675 29.006 29.700 -0.031 0.000 0.750 56 E HN 0.570 nan 8.360 nan 0.000 0.452 57 L N -0.325 120.872 121.223 -0.045 0.000 2.083 57 L HA -0.187 4.149 4.340 -0.007 0.000 0.209 57 L C 2.453 179.303 176.870 -0.034 0.000 1.083 57 L CA 1.273 56.086 54.840 -0.044 0.000 0.752 57 L CB -0.407 41.619 42.059 -0.055 0.000 0.899 57 L HN 0.301 nan 8.230 nan 0.000 0.433 58 M N -0.068 119.512 119.600 -0.033 0.000 2.098 58 M HA -0.173 4.303 4.480 -0.007 0.000 0.262 58 M C 2.132 178.425 176.300 -0.013 0.000 1.072 58 M CA 1.660 56.950 55.300 -0.016 0.000 1.133 58 M CB -0.517 32.073 32.600 -0.018 0.000 1.344 58 M HN 0.151 nan 8.290 nan 0.000 0.414 59 L N -0.087 121.125 121.223 -0.019 0.000 2.021 59 L HA -0.323 4.013 4.340 -0.007 0.000 0.215 59 L C 1.637 178.496 176.870 -0.019 0.000 1.074 59 L CA 2.183 57.013 54.840 -0.017 0.000 0.760 59 L CB -0.777 41.272 42.059 -0.017 0.000 0.889 59 L HN 0.314 nan 8.230 nan 0.000 0.433 60 D N 0.009 120.393 120.400 -0.026 0.000 2.144 60 D HA -0.148 4.487 4.640 -0.007 0.000 0.199 60 D C 2.213 178.489 176.300 -0.040 0.000 0.984 60 D CA 1.416 55.396 54.000 -0.034 0.000 0.834 60 D CB -0.140 40.636 40.800 -0.040 0.000 0.955 60 D HN 0.567 nan 8.370 nan 0.000 0.465 61 A N 0.750 123.550 122.820 -0.033 0.000 1.902 61 A HA -0.108 4.208 4.320 -0.007 0.000 0.217 61 A C 2.381 179.951 177.584 -0.023 0.000 1.181 61 A CA 0.817 52.833 52.037 -0.035 0.000 0.623 61 A CB -0.738 18.268 19.000 0.010 0.000 0.818 61 A HN 0.201 nan 8.150 nan 0.000 0.443 62 L N -0.789 120.430 121.223 -0.007 0.000 2.083 62 L HA -0.250 4.086 4.340 -0.007 0.000 0.209 62 L C 2.839 179.700 176.870 -0.016 0.000 1.083 62 L CA 1.506 56.344 54.840 -0.003 0.000 0.752 62 L CB -0.631 41.428 42.059 0.000 0.000 0.899 62 L HN 0.511 nan 8.230 nan 0.000 0.433 63 Q N -0.809 118.977 119.800 -0.023 0.000 2.172 63 Q HA -0.132 4.203 4.340 -0.007 0.000 0.200 63 Q C 2.152 178.129 176.000 -0.039 0.000 0.964 63 Q CA 1.655 57.442 55.803 -0.026 0.000 0.855 63 Q CB -0.135 28.588 28.738 -0.025 0.000 0.918 63 Q HN 0.475 nan 8.270 nan 0.000 0.444 64 T N 1.590 116.111 114.554 -0.055 0.000 2.833 64 T HA -0.072 4.274 4.350 -0.007 0.000 0.269 64 T C 1.691 176.347 174.700 -0.072 0.000 1.054 64 T CA 0.798 62.851 62.100 -0.078 0.000 1.135 64 T CB -0.058 68.739 68.868 -0.119 0.000 0.869 64 T HN 0.216 nan 8.240 nan 0.000 0.466 65 L N 0.116 121.307 121.223 -0.054 0.000 2.552 65 L HA 0.199 4.535 4.340 -0.007 0.000 0.227 65 L C 2.083 178.939 176.870 -0.025 0.000 1.146 65 L CA 0.631 55.450 54.840 -0.035 0.000 0.858 65 L CB -0.387 41.665 42.059 -0.011 0.000 0.969 65 L HN 0.533 nan 8.230 nan 0.000 0.451 66 G N -0.385 108.400 108.800 -0.025 0.000 2.201 66 G HA2 -0.221 3.735 3.960 -0.007 0.000 0.212 66 G HA3 -0.221 3.735 3.960 -0.007 0.000 0.212 66 G C 0.192 175.085 174.900 -0.013 0.000 0.994 66 G CA -0.425 44.664 45.100 -0.019 0.000 0.644 66 G HN 0.146 nan 8.290 nan 0.000 0.508 67 L N 0.424 121.641 121.223 -0.010 0.000 2.472 67 L HA 0.592 4.928 4.340 -0.007 0.000 0.260 67 L C 1.145 178.012 176.870 -0.006 0.000 1.209 67 L CA -0.416 54.422 54.840 -0.004 0.000 0.817 67 L CB 0.529 42.588 42.059 -0.001 0.000 1.106 67 L HN 0.261 nan 8.230 nan 0.000 0.479 68 R N 0.423 120.922 120.500 -0.001 0.000 2.445 68 R HA 0.644 4.980 4.340 -0.007 0.000 0.308 68 R C -1.797 174.505 176.300 0.003 0.000 0.961 68 R CA -0.538 55.562 56.100 -0.001 0.000 0.862 68 R CB 1.442 31.743 30.300 0.001 0.000 1.144 68 R HN 0.414 nan 8.270 nan 0.000 0.447 69 V N 4.771 124.685 119.914 0.000 0.000 2.409 69 V HA 0.292 4.408 4.120 -0.007 0.000 0.290 69 V C -0.758 175.338 176.094 0.004 0.000 1.017 69 V CA -0.888 61.414 62.300 0.003 0.000 0.841 69 V CB 1.563 33.386 31.823 -0.001 0.000 1.003 69 V HN 0.804 nan 8.190 nan 0.000 0.426 70 D N 3.149 123.554 120.400 0.008 0.000 2.217 70 D HA 0.766 5.402 4.640 -0.007 0.000 0.248 70 D C 0.370 176.676 176.300 0.011 0.000 1.008 70 D CA 0.288 54.293 54.000 0.008 0.000 0.914 70 D CB 2.259 43.065 40.800 0.010 0.000 1.182 70 D HN 0.954 nan 8.370 nan 0.000 0.451 71 G N -0.687 108.118 108.800 0.009 0.000 2.634 71 G HA2 0.039 3.994 3.960 -0.007 0.000 0.568 71 G HA3 0.039 3.994 3.960 -0.007 0.000 0.568 71 G C 0.269 175.174 174.900 0.008 0.000 1.495 71 G CA -0.234 44.872 45.100 0.011 0.000 0.903 71 G HN 0.438 nan 8.290 nan 0.000 0.646 72 V N 0.556 120.475 119.914 0.008 0.000 3.590 72 V HA 0.671 4.787 4.120 -0.007 0.000 0.265 72 V C 1.286 177.385 176.094 0.009 0.000 1.239 72 V CA 2.054 64.358 62.300 0.007 0.000 1.117 72 V CB 0.070 31.897 31.823 0.007 0.000 0.818 72 V HN 1.676 nan 8.190 nan 0.000 0.451 73 G N 0.908 109.715 108.800 0.011 0.000 3.175 73 G HA2 0.369 4.325 3.960 -0.007 0.000 0.153 73 G HA3 0.369 4.325 3.960 -0.007 0.000 0.153 73 G C 0.783 175.692 174.900 0.015 0.000 1.216 73 G CA 0.444 45.551 45.100 0.013 0.000 0.943 73 G HN 0.508 nan 8.290 nan 0.000 0.611 74 S N -0.753 114.958 115.700 0.017 0.000 2.603 74 S HA 0.183 4.649 4.470 -0.007 0.000 0.220 74 S C 0.084 174.699 174.600 0.026 0.000 0.967 74 S CA 0.333 58.545 58.200 0.020 0.000 0.920 74 S CB 0.157 63.370 63.200 0.021 0.000 0.773 74 S HN 0.291 nan 8.310 nan 0.000 0.529 75 E N 1.518 121.733 120.200 0.025 0.000 2.073 75 E HA 0.555 4.901 4.350 -0.007 0.000 0.269 75 E C -1.045 175.573 176.600 0.030 0.000 0.917 75 E CA -0.142 56.277 56.400 0.032 0.000 0.757 75 E CB 1.191 30.908 29.700 0.029 0.000 1.111 75 E HN 0.395 nan 8.360 nan 0.000 0.410 76 L N 2.512 123.757 121.223 0.036 0.000 2.307 76 L HA 0.563 4.899 4.340 -0.007 0.000 0.284 76 L C -0.164 176.730 176.870 0.041 0.000 1.023 76 L CA -0.675 54.183 54.840 0.030 0.000 0.810 76 L CB 1.907 43.978 42.059 0.020 0.000 1.231 76 L HN 0.347 nan 8.230 nan 0.000 0.423 77 T N 2.381 116.956 114.554 0.034 0.000 2.792 77 T HA 0.488 4.834 4.350 -0.007 0.000 0.280 77 T C -0.264 174.456 174.700 0.033 0.000 0.990 77 T CA -0.405 61.719 62.100 0.041 0.000 0.960 77 T CB 1.922 70.810 68.868 0.034 0.000 0.939 77 T HN 0.161 nan 8.240 nan 0.000 0.439 78 V N 3.858 123.797 119.914 0.042 0.000 2.435 78 V HA 0.820 4.936 4.120 -0.007 0.000 0.290 78 V C 0.121 176.235 176.094 0.033 0.000 1.030 78 V CA -0.559 61.760 62.300 0.032 0.000 0.881 78 V CB 1.402 33.244 31.823 0.032 0.000 0.983 78 V HN 1.103 nan 8.190 nan 0.000 0.445 79 S N 2.518 118.232 115.700 0.022 0.000 2.625 79 S HA 0.997 5.463 4.470 -0.007 0.000 0.271 79 S C -0.191 174.417 174.600 0.013 0.000 1.161 79 S CA 0.009 58.221 58.200 0.020 0.000 0.820 79 S CB 1.861 65.071 63.200 0.018 0.000 1.137 79 S HN 2.175 nan 8.310 nan 0.000 0.470 80 G N 0.760 109.567 108.800 0.011 0.000 2.428 80 G HA2 0.195 4.151 3.960 -0.007 0.000 0.202 80 G HA3 0.195 4.151 3.960 -0.007 0.000 0.202 80 G C -1.635 173.268 174.900 0.006 0.000 1.247 80 G CA -0.763 44.340 45.100 0.006 0.000 1.020 80 G HN 0.806 nan 8.290 nan 0.000 0.529 81 R N -0.913 119.588 120.500 0.002 0.000 2.795 81 R HA 0.595 4.931 4.340 -0.007 0.000 0.275 81 R C -0.299 175.999 176.300 -0.003 0.000 0.981 81 R CA -1.044 55.056 56.100 -0.000 0.000 0.917 81 R CB 1.350 31.649 30.300 -0.002 0.000 1.202 81 R HN 0.573 nan 8.270 nan 0.000 0.469 82 I N 2.823 123.390 120.570 -0.004 0.000 2.347 82 I HA 0.058 4.224 4.170 -0.007 0.000 0.294 82 I C 0.497 176.610 176.117 -0.007 0.000 1.090 82 I CA 0.642 61.939 61.300 -0.005 0.000 1.314 82 I CB 0.232 38.229 38.000 -0.005 0.000 1.423 82 I HN 0.502 nan 8.210 nan 0.000 0.503 83 E N 6.593 126.787 120.200 -0.010 0.000 3.428 83 E HA 0.343 4.689 4.350 -0.007 0.000 0.286 83 E C -2.826 173.763 176.600 -0.017 0.000 1.204 83 E CA -1.716 54.677 56.400 -0.011 0.000 1.015 83 E CB 0.321 30.015 29.700 -0.010 0.000 1.370 83 E HN 0.222 nan 8.360 nan 0.000 0.391 84 P HA 0.141 nan 4.420 nan 0.000 0.271 84 P C 0.593 177.874 177.300 -0.031 0.000 1.218 84 P CA 0.104 63.184 63.100 -0.032 0.000 0.780 84 P CB 0.941 32.618 31.700 -0.039 0.000 0.901 85 G N 2.621 111.399 108.800 -0.037 0.000 2.634 85 G HA2 0.347 4.302 3.960 -0.007 0.000 0.255 85 G HA3 0.347 4.302 3.960 -0.007 0.000 0.255 85 G C -2.465 172.414 174.900 -0.035 0.000 1.205 85 G CA -1.209 43.871 45.100 -0.033 0.000 0.884 85 G HN 0.330 nan 8.290 nan 0.000 0.549 86 P HA 0.183 nan 4.420 nan 0.000 0.263 86 P C 0.810 178.088 177.300 -0.037 0.000 1.195 86 P CA 1.410 64.493 63.100 -0.028 0.000 0.762 86 P CB 0.759 32.446 31.700 -0.022 0.000 0.799 87 G N 2.578 111.354 108.800 -0.039 0.000 2.225 87 G HA2 -0.175 3.780 3.960 -0.007 0.000 0.267 87 G HA3 -0.175 3.780 3.960 -0.007 0.000 0.267 87 G C 0.481 175.335 174.900 -0.076 0.000 1.024 87 G CA -0.093 44.977 45.100 -0.051 0.000 0.784 87 G HN 0.849 nan 8.290 nan 0.000 0.507 88 A N -0.274 122.495 122.820 -0.086 0.000 2.587 88 A HA 0.493 4.809 4.320 -0.007 0.000 0.235 88 A C 0.902 178.378 177.584 -0.181 0.000 1.044 88 A CA 1.200 53.164 52.037 -0.121 0.000 0.754 88 A CB 0.190 19.120 19.000 -0.116 0.000 0.968 88 A HN 0.994 nan 8.150 nan 0.000 0.509 89 R N 2.928 123.304 120.500 -0.205 0.000 2.500 89 R HA 0.465 4.801 4.340 -0.007 0.000 0.299 89 R C -1.740 174.381 176.300 -0.299 0.000 1.038 89 R CA -0.471 55.473 56.100 -0.261 0.000 0.903 89 R CB 1.389 31.584 30.300 -0.175 0.000 1.177 89 R HN 0.524 nan 8.270 nan 0.000 0.455 90 V N 3.852 123.476 119.914 -0.483 0.000 2.488 90 V HA 0.061 4.177 4.120 -0.007 0.000 0.277 90 V C 0.118 176.061 176.094 -0.252 0.000 1.046 90 V CA -0.213 61.842 62.300 -0.407 0.000 0.986 90 V CB 1.256 32.682 31.823 -0.661 0.000 0.989 90 V HN 0.636 nan 8.190 nan 0.000 0.475 91 D N 3.731 124.044 120.400 -0.145 0.000 2.339 91 D HA 0.178 4.814 4.640 -0.007 0.000 0.241 91 D C 0.619 176.892 176.300 -0.045 0.000 1.183 91 D CA -0.264 53.683 54.000 -0.087 0.000 0.859 91 D CB 1.188 41.944 40.800 -0.074 0.000 1.067 91 D HN 0.570 nan 8.370 nan 0.000 0.484 92 C N 3.319 122.610 119.300 -0.014 0.000 2.618 92 C HA 0.412 4.867 4.460 -0.007 0.000 0.264 92 C C 1.725 176.701 174.990 -0.023 0.000 1.334 92 C CA 0.236 59.261 59.018 0.010 0.000 1.731 92 C CB -1.369 26.407 27.740 0.060 0.000 1.852 92 C HN 0.898 nan 8.230 nan 0.000 0.566 93 G N 1.257 110.038 108.800 -0.033 0.000 2.634 93 G HA2 -0.321 3.634 3.960 -0.007 0.000 0.309 93 G HA3 -0.321 3.634 3.960 -0.007 0.000 0.309 93 G C 0.215 175.090 174.900 -0.041 0.000 1.265 93 G CA 0.648 45.722 45.100 -0.043 0.000 0.998 93 G HN 0.488 nan 8.290 nan 0.000 0.551 94 L N 1.710 122.895 121.223 -0.063 0.000 2.910 94 L HA 0.747 5.082 4.340 -0.007 0.000 0.252 94 L C 1.607 178.417 176.870 -0.099 0.000 1.195 94 L CA 0.946 55.746 54.840 -0.066 0.000 1.003 94 L CB -0.104 41.916 42.059 -0.065 0.000 1.328 94 L HN 1.215 nan 8.230 nan 0.000 0.540 95 A N -0.571 122.186 122.820 -0.105 0.000 2.376 95 A HA 0.528 4.844 4.320 -0.007 0.000 0.298 95 A C 1.525 179.015 177.584 -0.157 0.000 1.271 95 A CA 0.253 52.203 52.037 -0.146 0.000 0.926 95 A CB -0.041 18.877 19.000 -0.136 0.000 1.141 95 A HN 0.462 nan 8.150 nan 0.000 0.539 96 G N 1.951 110.635 108.800 -0.193 0.000 2.442 96 G HA2 -0.275 3.680 3.960 -0.007 0.000 0.219 96 G HA3 -0.275 3.680 3.960 -0.007 0.000 0.219 96 G C 1.569 176.254 174.900 -0.357 0.000 1.141 96 G CA 1.777 46.747 45.100 -0.216 0.000 0.763 96 G HN 0.885 nan 8.290 nan 0.000 0.554 97 T N -0.849 113.397 114.554 -0.512 0.000 2.833 97 T HA -0.069 4.276 4.350 -0.007 0.000 0.269 97 T C 2.267 176.582 174.700 -0.642 0.000 1.054 97 T CA 1.387 62.892 62.100 -0.992 0.000 1.135 97 T CB -0.360 67.993 68.868 -0.857 0.000 0.869 97 T HN 0.040 nan 8.240 nan 0.000 0.466 98 V N 1.376 121.122 119.914 -0.279 0.000 2.323 98 V HA -0.000 4.115 4.120 -0.007 0.000 0.244 98 V C 2.551 178.650 176.094 0.009 0.000 1.041 98 V CA 1.340 63.595 62.300 -0.075 0.000 1.025 98 V CB -0.832 30.976 31.823 -0.025 0.000 0.656 98 V HN 0.383 nan 8.190 nan 0.000 0.451 99 L N 0.064 121.278 121.223 -0.015 0.000 2.079 99 L HA -0.163 4.173 4.340 -0.007 0.000 0.210 99 L C 2.366 179.259 176.870 0.037 0.000 1.081 99 L CA 2.093 56.967 54.840 0.057 0.000 0.752 99 L CB -0.426 41.667 42.059 0.058 0.000 0.896 99 L HN 0.170 nan 8.230 nan 0.000 0.433 100 R N -2.464 118.030 120.500 -0.011 0.000 2.206 100 R HA 0.153 4.489 4.340 -0.007 0.000 0.198 100 R C 1.716 178.179 176.300 0.271 0.000 0.986 100 R CA 0.596 56.761 56.100 0.110 0.000 1.029 100 R CB -0.220 30.169 30.300 0.149 0.000 0.966 100 R HN 0.241 nan 8.270 nan 0.000 0.487 101 F N -0.924 119.031 119.950 0.008 0.000 2.530 101 F HA 0.148 4.671 4.527 -0.006 0.000 0.292 101 F C 1.882 177.691 175.800 0.015 0.000 1.109 101 F CA -0.064 57.937 58.000 0.000 0.000 1.450 101 F CB -0.527 38.465 39.000 -0.013 0.000 1.114 101 F HN -0.261 nan 8.300 nan 0.000 0.560 102 V N 0.780 120.825 119.914 0.218 0.000 2.649 102 V HA -0.050 4.066 4.120 -0.007 0.000 0.248 102 V C -0.537 175.666 176.094 0.182 0.000 1.054 102 V CA 1.070 63.512 62.300 0.236 0.000 1.073 102 V CB -1.540 30.491 31.823 0.347 0.000 0.699 102 V HN 0.082 nan 8.190 nan 0.000 0.463 103 P HA -0.102 nan 4.420 nan 0.000 0.216 103 P C -1.411 175.895 177.300 0.010 0.000 1.153 103 P CA 1.859 64.820 63.100 -0.233 0.000 0.858 103 P CB -1.303 30.148 31.700 -0.416 0.000 0.789 104 P HA -0.143 nan 4.420 nan 0.000 0.216 104 P C 1.535 178.844 177.300 0.015 0.000 1.150 104 P CA 1.275 64.398 63.100 0.039 0.000 0.843 104 P CB -0.569 31.168 31.700 0.062 0.000 0.787 105 L N -1.176 120.079 121.223 0.053 0.000 2.093 105 L HA -0.131 4.205 4.340 -0.007 0.000 0.208 105 L C 2.480 179.390 176.870 0.067 0.000 1.085 105 L CA 1.514 56.380 54.840 0.044 0.000 0.755 105 L CB -1.135 40.969 42.059 0.076 0.000 0.904 105 L HN -0.043 nan 8.230 nan 0.000 0.435 106 A N -0.157 122.756 122.820 0.155 0.000 2.015 106 A HA -0.050 4.265 4.320 -0.007 0.000 0.219 106 A C 2.432 180.074 177.584 0.098 0.000 1.163 106 A CA 1.488 53.625 52.037 0.166 0.000 0.646 106 A CB -0.459 18.754 19.000 0.355 0.000 0.806 106 A HN 0.390 nan 8.150 nan 0.000 0.448 107 A N -0.622 122.240 122.820 0.071 0.000 2.021 107 A HA 0.230 4.546 4.320 -0.007 0.000 0.216 107 A C 1.911 179.469 177.584 -0.045 0.000 1.163 107 A CA 0.751 52.809 52.037 0.034 0.000 0.676 107 A CB -0.383 18.646 19.000 0.048 0.000 0.818 107 A HN 0.428 nan 8.150 nan 0.000 0.453 108 L N -0.445 120.712 121.223 -0.110 0.000 2.465 108 L HA 0.057 4.393 4.340 -0.007 0.000 0.224 108 L C 1.644 178.458 176.870 -0.094 0.000 1.145 108 L CA 0.193 54.919 54.840 -0.192 0.000 0.834 108 L CB -0.375 41.546 42.059 -0.229 0.000 0.944 108 L HN 0.457 nan 8.230 nan 0.000 0.451 109 G N -1.281 107.495 108.800 -0.041 0.000 2.557 109 G HA2 0.287 4.243 3.960 -0.007 0.000 0.302 109 G HA3 0.287 4.243 3.960 -0.007 0.000 0.302 109 G C 0.761 175.660 174.900 -0.001 0.000 1.311 109 G CA 0.297 45.386 45.100 -0.018 0.000 1.030 109 G HN 0.134 nan 8.290 nan 0.000 0.509 110 S N -1.964 113.738 115.700 0.003 0.000 2.492 110 S HA 0.158 4.623 4.470 -0.007 0.000 0.218 110 S C 0.709 175.317 174.600 0.014 0.000 1.016 110 S CA -0.012 58.193 58.200 0.009 0.000 0.916 110 S CB 0.122 63.325 63.200 0.005 0.000 0.791 110 S HN 0.300 nan 8.310 nan 0.000 0.513 111 V N 4.354 124.275 119.914 0.012 0.000 2.567 111 V HA 0.440 4.556 4.120 -0.007 0.000 0.289 111 V C -2.463 173.643 176.094 0.021 0.000 1.049 111 V CA -2.186 60.120 62.300 0.010 0.000 0.969 111 V CB 1.168 32.991 31.823 -0.001 0.000 0.995 111 V HN 0.223 nan 8.190 nan 0.000 0.471 112 P HA 0.307 nan 4.420 nan 0.000 0.275 112 P C -1.076 176.229 177.300 0.009 0.000 1.228 112 P CA -0.145 62.974 63.100 0.032 0.000 0.786 112 P CB 0.867 32.581 31.700 0.024 0.000 0.927 113 V N 2.454 122.387 119.914 0.032 0.000 2.569 113 V HA 0.271 4.386 4.120 -0.007 0.000 0.301 113 V C 0.095 176.143 176.094 -0.077 0.000 1.044 113 V CA -0.442 61.814 62.300 -0.074 0.000 0.874 113 V CB 1.962 33.732 31.823 -0.088 0.000 1.002 113 V HN 0.458 nan 8.190 nan 0.000 0.424 114 T N 5.166 119.593 114.554 -0.212 0.000 2.909 114 T HA 0.649 4.995 4.350 -0.007 0.000 0.289 114 T C -0.681 173.680 174.700 -0.564 0.000 1.005 114 T CA 0.206 62.174 62.100 -0.220 0.000 1.084 114 T CB 0.446 69.218 68.868 -0.159 0.000 0.975 114 T HN 0.335 nan 8.240 nan 0.000 0.509 115 F N 1.717 121.385 119.950 -0.470 0.000 2.493 115 F HA 0.505 5.028 4.527 -0.007 0.000 0.329 115 F C 0.320 175.823 175.800 -0.495 0.000 1.126 115 F CA -0.911 56.739 58.000 -0.583 0.000 0.937 115 F CB 1.860 40.206 39.000 -1.089 0.000 1.146 115 F HN 0.446 nan 8.300 nan 0.000 0.442 116 D N 0.873 121.173 120.400 -0.167 0.000 2.566 116 D HA 0.811 5.447 4.640 -0.007 0.000 0.254 116 D C -0.457 175.816 176.300 -0.045 0.000 1.090 116 D CA -0.370 53.572 54.000 -0.097 0.000 1.034 116 D CB 2.432 43.179 40.800 -0.089 0.000 1.434 116 D HN 0.717 nan 8.370 nan 0.000 0.509 117 G N -0.074 108.714 108.800 -0.020 0.000 2.682 117 G HA2 0.366 4.322 3.960 -0.007 0.000 0.303 117 G HA3 0.366 4.322 3.960 -0.007 0.000 0.303 117 G C -1.262 173.632 174.900 -0.010 0.000 1.341 117 G CA -0.652 44.442 45.100 -0.010 0.000 0.784 117 G HN 0.397 nan 8.290 nan 0.000 0.497 118 D N 0.011 120.405 120.400 -0.011 0.000 2.400 118 D HA 0.102 4.738 4.640 -0.007 0.000 0.238 118 D C 1.528 177.829 176.300 0.001 0.000 1.157 118 D CA -0.083 53.911 54.000 -0.011 0.000 0.889 118 D CB 1.399 42.190 40.800 -0.015 0.000 1.199 118 D HN 0.539 nan 8.370 nan 0.000 0.436 119 Q N 0.996 120.796 119.800 0.000 0.000 2.118 119 Q HA -0.331 4.004 4.340 -0.007 0.000 0.211 119 Q C 1.706 177.714 176.000 0.014 0.000 0.998 119 Q CA 1.894 57.701 55.803 0.007 0.000 0.872 119 Q CB 0.019 28.759 28.738 0.002 0.000 0.925 119 Q HN 0.553 nan 8.270 nan 0.000 0.414 120 Q N -0.942 118.865 119.800 0.011 0.000 2.224 120 Q HA -0.109 4.227 4.340 -0.007 0.000 0.203 120 Q C 1.780 177.793 176.000 0.021 0.000 0.970 120 Q CA 1.046 56.860 55.803 0.018 0.000 0.865 120 Q CB -0.120 28.629 28.738 0.018 0.000 0.922 120 Q HN 0.514 nan 8.270 nan 0.000 0.445 121 A N 0.687 123.518 122.820 0.017 0.000 2.015 121 A HA -0.121 4.194 4.320 -0.007 0.000 0.219 121 A C 1.844 179.455 177.584 0.045 0.000 1.163 121 A CA 0.864 52.916 52.037 0.025 0.000 0.646 121 A CB -0.295 18.717 19.000 0.019 0.000 0.806 121 A HN 0.323 nan 8.150 nan 0.000 0.448 122 R N -0.684 119.843 120.500 0.044 0.000 2.237 122 R HA -0.079 4.257 4.340 -0.007 0.000 0.219 122 R C 1.959 178.292 176.300 0.055 0.000 1.080 122 R CA 0.798 56.932 56.100 0.057 0.000 0.995 122 R CB -0.336 29.992 30.300 0.047 0.000 0.875 122 R HN 0.502 nan 8.270 nan 0.000 0.462 123 G N 0.724 109.551 108.800 0.045 0.000 2.813 123 G HA2 -0.072 3.884 3.960 -0.007 0.000 0.209 123 G HA3 -0.072 3.884 3.960 -0.007 0.000 0.209 123 G C 0.449 175.380 174.900 0.051 0.000 1.150 123 G CA -0.239 44.887 45.100 0.044 0.000 0.785 123 G HN 0.147 nan 8.290 nan 0.000 0.535 124 R N 0.400 120.936 120.500 0.059 0.000 2.500 124 R HA 0.359 4.695 4.340 -0.007 0.000 0.277 124 R C -2.554 173.805 176.300 0.099 0.000 1.026 124 R CA -1.708 54.432 56.100 0.067 0.000 1.058 124 R CB 0.468 30.798 30.300 0.051 0.000 1.078 124 R HN -0.033 nan 8.270 nan 0.000 0.509 125 P HA 0.005 nan 4.420 nan 0.000 0.268 125 P C -0.273 177.227 177.300 0.334 0.000 1.204 125 P CA 0.324 63.556 63.100 0.220 0.000 0.768 125 P CB 0.576 32.424 31.700 0.245 0.000 0.842 126 I N 2.391 123.085 120.570 0.207 0.000 5.251 126 I HA 0.154 4.320 4.170 -0.007 0.000 0.340 126 I C 1.775 177.728 176.117 -0.273 0.000 1.201 126 I CA 0.682 61.999 61.300 0.029 0.000 1.500 126 I CB -0.686 37.323 38.000 0.014 0.000 1.636 126 I HN 0.257 nan 8.210 nan 0.000 0.561 127 A N 2.011 124.720 122.820 -0.185 0.000 1.948 127 A HA -0.065 4.251 4.320 -0.007 0.000 0.220 127 A C -0.336 177.054 177.584 -0.323 0.000 1.177 127 A CA 2.372 54.270 52.037 -0.231 0.000 0.636 127 A CB -2.051 16.877 19.000 -0.121 0.000 0.815 127 A HN 0.398 nan 8.150 nan 0.000 0.449 128 P HA -0.119 nan 4.420 nan 0.000 0.218 128 P C 1.597 178.564 177.300 -0.554 0.000 1.149 128 P CA 0.781 63.627 63.100 -0.423 0.000 0.817 128 P CB -0.055 31.428 31.700 -0.362 0.000 0.785 129 L N -0.924 119.769 121.223 -0.885 0.000 2.056 129 L HA -0.095 4.241 4.340 -0.007 0.000 0.207 129 L C 2.086 178.726 176.870 -0.383 0.000 1.078 129 L CA 1.698 56.178 54.840 -0.601 0.000 0.749 129 L CB -1.269 40.435 42.059 -0.592 0.000 0.901 129 L HN -0.141 nan 8.230 nan 0.000 0.433 130 L N -0.742 120.226 121.223 -0.425 0.000 2.083 130 L HA -0.190 4.145 4.340 -0.007 0.000 0.209 130 L C 2.210 178.941 176.870 -0.231 0.000 1.083 130 L CA 1.219 55.841 54.840 -0.363 0.000 0.752 130 L CB -0.934 40.849 42.059 -0.461 0.000 0.899 130 L HN 0.265 nan 8.230 nan 0.000 0.433 131 D N 0.325 120.595 120.400 -0.217 0.000 2.144 131 D HA -0.124 4.512 4.640 -0.007 0.000 0.200 131 D C 2.253 178.481 176.300 -0.121 0.000 0.978 131 D CA 1.457 55.370 54.000 -0.145 0.000 0.833 131 D CB 0.056 40.778 40.800 -0.130 0.000 0.961 131 D HN 0.293 nan 8.370 nan 0.000 0.470 132 A N 0.624 123.358 122.820 -0.143 0.000 1.902 132 A HA -0.115 4.201 4.320 -0.007 0.000 0.217 132 A C 2.394 179.931 177.584 -0.078 0.000 1.181 132 A CA 0.845 52.820 52.037 -0.104 0.000 0.623 132 A CB -0.745 18.191 19.000 -0.107 0.000 0.818 132 A HN 0.208 nan 8.150 nan 0.000 0.443 133 L N -1.112 120.061 121.223 -0.082 0.000 2.046 133 L HA -0.197 4.139 4.340 -0.007 0.000 0.208 133 L C 2.870 179.731 176.870 -0.016 0.000 1.077 133 L CA 1.452 56.276 54.840 -0.027 0.000 0.747 133 L CB -0.457 41.579 42.059 -0.038 0.000 0.896 133 L HN 0.360 nan 8.230 nan 0.000 0.432 134 R N -0.020 120.454 120.500 -0.044 0.000 2.096 134 R HA -0.159 4.177 4.340 -0.007 0.000 0.235 134 R C 2.128 178.413 176.300 -0.023 0.000 1.127 134 R CA 1.299 57.383 56.100 -0.028 0.000 0.968 134 R CB -0.245 30.031 30.300 -0.041 0.000 0.861 134 R HN 0.455 nan 8.270 nan 0.000 0.440 135 E N 0.612 120.789 120.200 -0.039 0.000 2.204 135 E HA -0.152 4.194 4.350 -0.007 0.000 0.195 135 E C 1.434 178.011 176.600 -0.040 0.000 0.990 135 E CA 0.807 57.183 56.400 -0.039 0.000 0.821 135 E CB -0.001 29.670 29.700 -0.050 0.000 0.750 135 E HN 0.327 nan 8.360 nan 0.000 0.477 136 L N -0.262 120.938 121.223 -0.039 0.000 2.645 136 L HA 0.141 4.477 4.340 -0.007 0.000 0.235 136 L C 1.303 178.194 176.870 0.034 0.000 1.150 136 L CA 0.309 55.125 54.840 -0.039 0.000 0.911 136 L CB 0.013 42.021 42.059 -0.085 0.000 1.077 136 L HN 0.253 nan 8.230 nan 0.000 0.438 137 G N -0.409 108.408 108.800 0.027 0.000 2.176 137 G HA2 -0.245 3.711 3.960 -0.007 0.000 0.253 137 G HA3 -0.245 3.711 3.960 -0.007 0.000 0.253 137 G C 0.238 175.171 174.900 0.055 0.000 0.979 137 G CA -0.023 45.102 45.100 0.040 0.000 0.641 137 G HN 0.107 nan 8.290 nan 0.000 0.530 138 V N 1.392 121.344 119.914 0.064 0.000 2.530 138 V HA 0.614 4.730 4.120 -0.007 0.000 0.282 138 V C 1.091 177.210 176.094 0.041 0.000 1.048 138 V CA -0.074 62.263 62.300 0.063 0.000 0.997 138 V CB 1.318 33.183 31.823 0.070 0.000 0.987 138 V HN 1.130 nan 8.190 nan 0.000 0.477 139 A N 5.507 128.353 122.820 0.044 0.000 2.404 139 A HA 0.583 4.899 4.320 -0.007 0.000 0.273 139 A C -0.364 177.251 177.584 0.052 0.000 1.144 139 A CA -0.168 51.892 52.037 0.039 0.000 0.806 139 A CB 0.172 19.197 19.000 0.041 0.000 1.080 139 A HN 0.725 nan 8.150 nan 0.000 0.509 140 V N 4.102 124.039 119.914 0.039 0.000 2.525 140 V HA 0.276 4.392 4.120 -0.007 0.000 0.299 140 V C -1.055 175.073 176.094 0.057 0.000 1.034 140 V CA -0.917 61.417 62.300 0.057 0.000 0.863 140 V CB 1.935 33.754 31.823 -0.007 0.000 0.999 140 V HN 0.869 nan 8.190 nan 0.000 0.423 141 D N 4.231 124.691 120.400 0.100 0.000 2.317 141 D HA 0.607 5.243 4.640 -0.007 0.000 0.234 141 D C 0.515 176.893 176.300 0.129 0.000 1.112 141 D CA 0.725 54.779 54.000 0.091 0.000 0.840 141 D CB 1.703 42.555 40.800 0.086 0.000 1.078 141 D HN 1.039 nan 8.370 nan 0.000 0.486 142 G N 1.242 110.092 108.800 0.084 0.000 2.576 142 G HA2 -0.089 3.867 3.960 -0.007 0.000 0.686 142 G HA3 -0.089 3.867 3.960 -0.007 0.000 0.686 142 G C 0.366 175.280 174.900 0.025 0.000 1.242 142 G CA -0.162 44.997 45.100 0.097 0.000 0.819 142 G HN 0.429 nan 8.290 nan 0.000 0.655 143 T N -1.554 113.006 114.554 0.010 0.000 3.044 143 T HA 0.652 4.998 4.350 -0.007 0.000 0.260 143 T C 1.112 175.783 174.700 -0.048 0.000 1.019 143 T CA 0.996 63.062 62.100 -0.058 0.000 0.921 143 T CB 0.766 69.608 68.868 -0.043 0.000 1.053 143 T HN 2.267 nan 8.240 nan 0.000 0.533 144 G N 0.606 109.438 108.800 0.054 0.000 2.606 144 G HA2 0.559 4.515 3.960 -0.007 0.000 0.300 144 G HA3 0.559 4.515 3.960 -0.007 0.000 0.300 144 G C -1.660 173.432 174.900 0.319 0.000 1.360 144 G CA -1.173 44.005 45.100 0.130 0.000 0.783 144 G HN 0.319 nan 8.290 nan 0.000 0.484 145 L N 2.031 123.436 121.223 0.302 0.000 2.416 145 L HA 0.312 4.648 4.340 -0.007 0.000 0.272 145 L C -1.587 175.357 176.870 0.124 0.000 1.161 145 L CA -1.276 53.705 54.840 0.236 0.000 0.845 145 L CB 0.937 43.083 42.059 0.145 0.000 1.119 145 L HN 0.295 nan 8.230 nan 0.000 0.464 146 P HA 0.284 nan 4.420 nan 0.000 0.278 146 P C -1.125 176.247 177.300 0.119 0.000 1.238 146 P CA -0.178 62.932 63.100 0.017 0.000 0.794 146 P CB 0.772 32.457 31.700 -0.024 0.000 0.955 147 F N -0.611 119.402 119.950 0.105 0.000 2.620 147 F HA 0.797 5.321 4.527 -0.005 0.000 0.320 147 F C -0.517 175.382 175.800 0.164 0.000 1.069 147 F CA -1.538 56.519 58.000 0.096 0.000 0.953 147 F CB 1.971 41.003 39.000 0.053 0.000 1.322 147 F HN 0.185 nan 8.300 nan 0.000 0.479 148 R N 1.864 122.582 120.500 0.363 0.000 2.532 148 R HA 0.730 5.066 4.340 -0.007 0.000 0.297 148 R C -2.152 174.330 176.300 0.304 0.000 0.984 148 R CA -0.716 55.543 56.100 0.265 0.000 0.884 148 R CB 2.174 32.552 30.300 0.131 0.000 1.182 148 R HN 0.767 nan 8.270 nan 0.000 0.442 149 V N 4.488 124.604 119.914 0.336 0.000 2.617 149 V HA 0.580 4.696 4.120 -0.007 0.000 0.298 149 V C -0.316 175.875 176.094 0.163 0.000 1.048 149 V CA -0.643 61.808 62.300 0.252 0.000 0.964 149 V CB 1.728 33.740 31.823 0.315 0.000 1.004 149 V HN 0.770 nan 8.190 nan 0.000 0.466 150 R N 2.308 122.873 120.500 0.109 0.000 2.512 150 R HA 0.581 4.916 4.340 -0.007 0.000 0.291 150 R C 0.050 176.386 176.300 0.061 0.000 1.097 150 R CA -0.277 55.868 56.100 0.076 0.000 0.940 150 R CB 1.795 32.130 30.300 0.059 0.000 1.198 150 R HN 0.903 nan 8.270 nan 0.000 0.429 151 G N 0.849 109.680 108.800 0.051 0.000 2.532 151 G HA2 0.178 4.134 3.960 -0.007 0.000 0.291 151 G HA3 0.178 4.134 3.960 -0.007 0.000 0.291 151 G C -0.294 174.625 174.900 0.031 0.000 1.349 151 G CA -0.697 44.427 45.100 0.040 0.000 1.038 151 G HN 0.699 nan 8.290 nan 0.000 0.518 152 N N -0.628 118.088 118.700 0.027 0.000 2.908 152 N HA 0.254 4.990 4.740 -0.007 0.000 0.316 152 N C 0.982 176.499 175.510 0.011 0.000 1.619 152 N CA 0.094 53.156 53.050 0.020 0.000 1.045 152 N CB 0.501 39.002 38.487 0.023 0.000 1.357 152 N HN 1.227 nan 8.380 nan 0.000 0.501 153 G N 0.036 108.838 108.800 0.003 0.000 2.180 153 G HA2 -0.327 3.629 3.960 -0.007 0.000 0.263 153 G HA3 -0.327 3.629 3.960 -0.007 0.000 0.263 153 G C 0.060 174.951 174.900 -0.016 0.000 0.989 153 G CA 0.937 46.033 45.100 -0.006 0.000 0.692 153 G HN 1.097 nan 8.290 nan 0.000 0.526 154 S N -1.734 113.957 115.700 -0.014 0.000 2.727 154 S HA 0.846 5.312 4.470 -0.007 0.000 0.278 154 S C -1.404 173.183 174.600 -0.021 0.000 1.186 154 S CA -0.866 57.317 58.200 -0.029 0.000 0.836 154 S CB 2.659 65.860 63.200 0.001 0.000 1.186 154 S HN 1.076 nan 8.310 nan 0.000 0.499 155 L N 0.539 121.751 121.223 -0.019 0.000 2.526 155 L HA 0.678 5.014 4.340 -0.007 0.000 0.263 155 L C 0.792 177.880 176.870 0.365 0.000 0.943 155 L CA -0.158 54.787 54.840 0.175 0.000 0.859 155 L CB 1.903 43.994 42.059 0.053 0.000 1.313 155 L HN 1.111 nan 8.230 nan 0.000 0.406 156 A N 3.158 126.158 122.820 0.301 0.000 1.968 156 A HA 0.415 4.731 4.320 -0.007 0.000 0.217 156 A C 1.232 178.924 177.584 0.180 0.000 1.169 156 A CA 1.442 53.604 52.037 0.208 0.000 0.638 156 A CB -0.386 18.673 19.000 0.097 0.000 0.812 156 A HN 1.549 nan 8.150 nan 0.000 0.446 157 G N -1.792 107.026 108.800 0.030 0.000 2.514 157 G HA2 0.282 4.238 3.960 -0.007 0.000 0.265 157 G HA3 0.282 4.238 3.960 -0.007 0.000 0.265 157 G C 1.212 175.900 174.900 -0.353 0.000 1.150 157 G CA 0.732 45.305 45.100 -0.877 0.000 0.959 157 G HN 2.480 nan 8.290 nan 0.000 0.556 158 G N -3.080 105.552 108.800 -0.281 0.000 2.358 158 G HA2 0.448 4.403 3.960 -0.007 0.000 0.198 158 G HA3 0.448 4.403 3.960 -0.007 0.000 0.198 158 G C -0.133 174.682 174.900 -0.142 0.000 1.220 158 G CA 0.571 45.581 45.100 -0.151 0.000 1.187 158 G HN 2.127 nan 8.290 nan 0.000 0.544 159 T N 0.013 114.508 114.554 -0.097 0.000 2.855 159 T HA 0.702 5.048 4.350 -0.007 0.000 0.281 159 T C -0.822 173.838 174.700 -0.067 0.000 1.007 159 T CA 0.168 62.229 62.100 -0.065 0.000 1.009 159 T CB 1.905 70.750 68.868 -0.038 0.000 0.983 159 T HN 1.619 nan 8.240 nan 0.000 0.455 160 V N 1.418 121.305 119.914 -0.045 0.000 2.932 160 V HA 0.796 4.912 4.120 -0.007 0.000 0.307 160 V C -1.417 174.679 176.094 0.004 0.000 1.147 160 V CA -0.769 61.509 62.300 -0.036 0.000 0.951 160 V CB 1.929 33.715 31.823 -0.062 0.000 1.031 160 V HN 1.149 nan 8.190 nan 0.000 0.426 161 A N 6.605 129.425 122.820 -0.000 0.000 2.304 161 A HA 0.914 5.229 4.320 -0.007 0.000 0.323 161 A C -0.842 176.751 177.584 0.015 0.000 1.195 161 A CA -0.513 51.534 52.037 0.016 0.000 0.826 161 A CB 1.006 20.002 19.000 -0.006 0.000 1.184 161 A HN 1.174 nan 8.150 nan 0.000 0.496 162 I N 1.313 121.915 120.570 0.053 0.000 2.722 162 I HA 0.326 4.491 4.170 -0.007 0.000 0.295 162 I C -1.443 174.740 176.117 0.110 0.000 1.161 162 I CA -0.670 60.669 61.300 0.064 0.000 1.032 162 I CB 2.200 40.248 38.000 0.080 0.000 1.244 162 I HN 0.666 nan 8.210 nan 0.000 0.421 163 D N 6.176 126.635 120.400 0.098 0.000 2.402 163 D HA 0.344 4.980 4.640 -0.007 0.000 0.235 163 D C 0.256 176.766 176.300 0.350 0.000 1.226 163 D CA 0.013 54.109 54.000 0.160 0.000 0.918 163 D CB 1.346 42.200 40.800 0.090 0.000 1.043 163 D HN 0.558 nan 8.370 nan 0.000 0.506 164 A N 2.947 126.101 122.820 0.557 0.000 2.507 164 A HA 0.141 4.457 4.320 -0.007 0.000 0.270 164 A C 1.866 179.538 177.584 0.146 0.000 1.318 164 A CA -0.305 51.963 52.037 0.385 0.000 0.924 164 A CB 0.026 19.170 19.000 0.241 0.000 1.061 164 A HN 0.453 nan 8.150 nan 0.000 0.516 165 S N 0.113 115.972 115.700 0.265 0.000 2.419 165 S HA -0.083 4.383 4.470 -0.007 0.000 0.233 165 S C 2.098 176.710 174.600 0.020 0.000 1.016 165 S CA 1.208 59.479 58.200 0.117 0.000 0.974 165 S CB -0.067 63.240 63.200 0.179 0.000 0.786 165 S HN 0.813 nan 8.310 nan 0.000 0.492 166 A N -0.054 122.791 122.820 0.041 0.000 2.067 166 A HA 0.343 4.659 4.320 -0.007 0.000 0.217 166 A C 1.014 178.480 177.584 -0.197 0.000 1.156 166 A CA 0.433 52.461 52.037 -0.014 0.000 0.683 166 A CB 0.107 19.155 19.000 0.080 0.000 0.808 166 A HN 0.322 nan 8.150 nan 0.000 0.455 167 S N -1.755 113.691 115.700 -0.424 0.000 2.582 167 S HA 0.311 4.777 4.470 -0.007 0.000 0.287 167 S C 0.702 175.014 174.600 -0.480 0.000 1.146 167 S CA 0.194 58.066 58.200 -0.547 0.000 0.941 167 S CB 0.919 63.580 63.200 -0.899 0.000 1.115 167 S HN 0.750 nan 8.310 nan 0.000 0.458 168 S N 3.749 119.275 115.700 -0.290 0.000 2.442 168 S HA -0.132 4.334 4.470 -0.007 0.000 0.236 168 S C 1.367 175.882 174.600 -0.141 0.000 1.007 168 S CA 0.986 59.067 58.200 -0.198 0.000 0.965 168 S CB -0.444 62.680 63.200 -0.127 0.000 0.773 168 S HN 0.797 nan 8.310 nan 0.000 0.504 169 Q N -0.260 119.451 119.800 -0.148 0.000 2.291 169 Q HA -0.004 4.331 4.340 -0.007 0.000 0.205 169 Q C 1.387 177.498 176.000 0.184 0.000 0.970 169 Q CA 1.054 56.901 55.803 0.074 0.000 0.876 169 Q CB -0.344 28.393 28.738 -0.002 0.000 0.935 169 Q HN 0.602 nan 8.270 nan 0.000 0.455 170 F N -0.212 119.743 119.950 0.007 0.000 2.134 170 F HA -0.185 4.338 4.527 -0.008 0.000 0.299 170 F C 2.240 177.997 175.800 -0.073 0.000 1.097 170 F CA 0.535 58.525 58.000 -0.017 0.000 1.264 170 F CB -1.082 37.906 39.000 -0.020 0.000 1.001 170 F HN -0.121 nan 8.300 nan 0.000 0.479 171 V N -0.916 119.010 119.914 0.019 0.000 2.283 171 V HA -0.228 3.888 4.120 -0.007 0.000 0.243 171 V C 2.401 178.333 176.094 -0.270 0.000 1.039 171 V CA 1.952 64.107 62.300 -0.242 0.000 1.016 171 V CB -1.070 30.411 31.823 -0.569 0.000 0.650 171 V HN 0.265 nan 8.190 nan 0.000 0.449 172 S N 0.709 116.277 115.700 -0.219 0.000 2.370 172 S HA -0.170 4.296 4.470 -0.007 0.000 0.226 172 S C 2.069 176.448 174.600 -0.369 0.000 1.033 172 S CA 1.541 59.562 58.200 -0.298 0.000 1.011 172 S CB -0.797 62.264 63.200 -0.232 0.000 0.852 172 S HN 0.708 nan 8.310 nan 0.000 0.457 173 G N 1.439 110.165 108.800 -0.123 0.000 2.418 173 G HA2 -0.132 3.824 3.960 -0.007 0.000 0.217 173 G HA3 -0.132 3.824 3.960 -0.007 0.000 0.217 173 G C 1.338 176.210 174.900 -0.047 0.000 1.158 173 G CA 0.602 45.690 45.100 -0.021 0.000 0.771 173 G HN 0.437 nan 8.290 nan 0.000 0.545 174 L N -0.100 121.107 121.223 -0.027 0.000 2.056 174 L HA 0.014 4.350 4.340 -0.007 0.000 0.207 174 L C 2.901 179.761 176.870 -0.016 0.000 1.078 174 L CA 0.551 55.394 54.840 0.005 0.000 0.749 174 L CB -0.387 41.669 42.059 -0.006 0.000 0.901 174 L HN 0.184 nan 8.230 nan 0.000 0.433 175 L N -0.624 120.531 121.223 -0.114 0.000 2.083 175 L HA -0.222 4.114 4.340 -0.007 0.000 0.209 175 L C 2.527 179.342 176.870 -0.093 0.000 1.083 175 L CA 1.062 55.836 54.840 -0.110 0.000 0.752 175 L CB -0.479 41.455 42.059 -0.208 0.000 0.899 175 L HN 0.267 nan 8.230 nan 0.000 0.433 176 L N -0.868 120.252 121.223 -0.172 0.000 2.042 176 L HA -0.208 4.128 4.340 -0.007 0.000 0.210 176 L C 2.391 179.216 176.870 -0.075 0.000 1.076 176 L CA 1.247 55.985 54.840 -0.170 0.000 0.749 176 L CB -0.322 41.553 42.059 -0.306 0.000 0.893 176 L HN 0.164 nan 8.230 nan 0.000 0.432 177 S N -1.104 114.575 115.700 -0.035 0.000 2.535 177 S HA 0.171 4.637 4.470 -0.007 0.000 0.214 177 S C 1.993 176.616 174.600 0.037 0.000 0.980 177 S CA 0.465 58.652 58.200 -0.022 0.000 0.907 177 S CB 0.358 63.530 63.200 -0.046 0.000 0.790 177 S HN 0.403 nan 8.310 nan 0.000 0.510 178 A N 1.860 124.769 122.820 0.148 0.000 1.978 178 A HA 0.036 4.352 4.320 -0.007 0.000 0.220 178 A C 2.275 180.002 177.584 0.239 0.000 1.170 178 A CA 1.592 53.825 52.037 0.326 0.000 0.636 178 A CB -0.875 18.243 19.000 0.197 0.000 0.810 178 A HN 0.515 nan 8.150 nan 0.000 0.448 179 A N -0.871 122.017 122.820 0.114 0.000 2.070 179 A HA -0.011 4.305 4.320 -0.007 0.000 0.220 179 A C 2.159 179.783 177.584 0.067 0.000 1.159 179 A CA 1.799 53.887 52.037 0.085 0.000 0.656 179 A CB -0.480 18.554 19.000 0.056 0.000 0.800 179 A HN 0.417 nan 8.150 nan 0.000 0.453 180 S N -1.269 114.444 115.700 0.023 0.000 2.575 180 S HA 0.293 4.758 4.470 -0.007 0.000 0.215 180 S C 0.056 174.601 174.600 -0.093 0.000 0.966 180 S CA -0.490 57.683 58.200 -0.045 0.000 0.911 180 S CB -0.261 62.880 63.200 -0.098 0.000 0.780 180 S HN 0.463 nan 8.310 nan 0.000 0.514 181 F N 2.260 122.216 119.950 0.011 0.000 2.459 181 F HA 0.072 4.594 4.527 -0.007 0.000 0.346 181 F C 2.084 177.891 175.800 0.012 0.000 1.128 181 F CA 0.170 58.177 58.000 0.011 0.000 1.268 181 F CB 0.444 39.450 39.000 0.010 0.000 1.161 181 F HN -0.001 nan 8.300 nan 0.000 0.583 182 T N 0.252 114.950 114.554 0.240 0.000 2.624 182 T HA -0.239 4.107 4.350 -0.007 0.000 0.268 182 T C 0.864 175.636 174.700 0.121 0.000 1.041 182 T CA 1.815 64.000 62.100 0.141 0.000 1.159 182 T CB -0.133 68.806 68.868 0.117 0.000 0.863 182 T HN 0.535 nan 8.240 nan 0.000 0.434 183 D N 0.630 121.106 120.400 0.127 0.000 2.501 183 D HA 0.393 5.029 4.640 -0.007 0.000 0.226 183 D C 1.247 177.585 176.300 0.064 0.000 1.198 183 D CA 0.456 54.498 54.000 0.069 0.000 0.830 183 D CB 0.339 41.158 40.800 0.031 0.000 1.014 183 D HN 0.469 nan 8.370 nan 0.000 0.496 184 G N 1.391 110.268 108.800 0.129 0.000 2.569 184 G HA2 -0.232 3.724 3.960 -0.007 0.000 0.259 184 G HA3 -0.232 3.724 3.960 -0.007 0.000 0.259 184 G C -0.664 174.234 174.900 -0.003 0.000 1.263 184 G CA -0.085 45.084 45.100 0.115 0.000 0.928 184 G HN 0.341 nan 8.290 nan 0.000 0.572 185 L N -1.086 120.130 121.223 -0.011 0.000 2.482 185 L HA 0.749 5.085 4.340 -0.007 0.000 0.263 185 L C -0.149 176.716 176.870 -0.008 0.000 0.957 185 L CA -0.017 54.771 54.840 -0.087 0.000 0.836 185 L CB 2.348 44.364 42.059 -0.071 0.000 1.324 185 L HN 0.893 nan 8.230 nan 0.000 0.406 186 T N 4.123 118.667 114.554 -0.016 0.000 2.809 186 T HA 0.608 4.953 4.350 -0.007 0.000 0.296 186 T C -0.726 174.012 174.700 0.063 0.000 1.015 186 T CA -0.338 61.786 62.100 0.042 0.000 0.954 186 T CB 1.108 69.988 68.868 0.020 0.000 0.950 186 T HN 0.362 nan 8.240 nan 0.000 0.450 187 V N 4.005 124.015 119.914 0.160 0.000 2.394 187 V HA 0.518 4.634 4.120 -0.007 0.000 0.282 187 V C -0.047 176.239 176.094 0.319 0.000 1.031 187 V CA -0.783 61.645 62.300 0.213 0.000 0.881 187 V CB 1.490 33.446 31.823 0.222 0.000 0.982 187 V HN 0.743 nan 8.190 nan 0.000 0.451 188 Q N 2.923 122.856 119.800 0.222 0.000 2.333 188 Q HA 0.356 4.692 4.340 -0.007 0.000 0.268 188 Q C -0.677 175.476 176.000 0.256 0.000 1.007 188 Q CA -0.508 55.409 55.803 0.190 0.000 0.810 188 Q CB 1.074 29.851 28.738 0.066 0.000 1.264 188 Q HN 0.869 nan 8.270 nan 0.000 0.452 189 H N 2.131 121.365 119.070 0.272 0.000 2.767 189 H HA 0.325 4.876 4.556 -0.007 0.000 0.316 189 H C 0.149 175.543 175.328 0.109 0.000 1.059 189 H CA 0.798 56.978 56.048 0.220 0.000 1.461 189 H CB 0.994 30.945 29.762 0.315 0.000 1.475 189 H HN 0.703 nan 8.280 nan 0.000 0.531 190 T N 1.320 115.604 114.554 -0.450 0.000 3.231 190 T HA 0.352 4.698 4.350 -0.007 0.000 0.292 190 T C 1.029 175.482 174.700 -0.412 0.000 1.001 190 T CA -0.128 61.754 62.100 -0.364 0.000 0.920 190 T CB 0.070 68.849 68.868 -0.148 0.000 1.140 190 T HN 0.619 nan 8.240 nan 0.000 0.525 191 G N 1.976 110.335 108.800 -0.734 0.000 2.624 191 G HA2 0.476 4.432 3.960 -0.007 0.000 0.217 191 G HA3 0.476 4.432 3.960 -0.007 0.000 0.217 191 G C 0.683 175.528 174.900 -0.091 0.000 1.506 191 G CA 0.111 45.062 45.100 -0.248 0.000 1.072 191 G HN 0.536 nan 8.290 nan 0.000 0.568 192 S N -0.878 114.888 115.700 0.110 0.000 2.354 192 S HA 0.318 4.784 4.470 -0.007 0.000 0.209 192 S C 1.247 175.984 174.600 0.228 0.000 1.248 192 S CA 0.747 59.025 58.200 0.129 0.000 1.211 192 S CB -0.517 62.736 63.200 0.089 0.000 0.896 192 S HN 1.384 nan 8.310 nan 0.000 0.447 193 S N 0.821 116.603 115.700 0.136 0.000 2.568 193 S HA 0.359 4.825 4.470 -0.007 0.000 0.282 193 S C -0.518 174.108 174.600 0.042 0.000 1.338 193 S CA -0.681 57.575 58.200 0.093 0.000 1.045 193 S CB -0.012 63.218 63.200 0.050 0.000 0.873 193 S HN 0.805 nan 8.310 nan 0.000 0.516 194 L N 4.267 125.457 121.223 -0.054 0.000 2.318 194 L HA 0.587 4.923 4.340 -0.007 0.000 0.277 194 L C -2.438 174.316 176.870 -0.193 0.000 1.008 194 L CA -2.075 52.620 54.840 -0.241 0.000 0.846 194 L CB 1.315 43.162 42.059 -0.353 0.000 1.220 194 L HN 0.556 nan 8.230 nan 0.000 0.423 195 P HA 0.291 nan 4.420 nan 0.000 0.276 195 P C -0.365 176.800 177.300 -0.225 0.000 1.261 195 P CA -0.160 62.699 63.100 -0.402 0.000 0.800 195 P CB 0.963 32.071 31.700 -0.986 0.000 1.066 196 S N -1.479 114.140 115.700 -0.135 0.000 3.698 196 S HA -0.183 4.283 4.470 -0.007 0.000 0.338 196 S C 1.301 175.914 174.600 0.021 0.000 1.089 196 S CA 0.583 58.780 58.200 -0.005 0.000 0.991 196 S CB -2.176 61.027 63.200 0.005 0.000 0.909 196 S HN 0.819 nan 8.310 nan 0.000 0.485 197 A N 1.293 124.110 122.820 -0.004 0.000 1.927 197 A HA -0.122 4.194 4.320 -0.007 0.000 0.220 197 A C 0.159 177.753 177.584 0.018 0.000 1.185 197 A CA 2.193 54.247 52.037 0.028 0.000 0.639 197 A CB -1.645 17.378 19.000 0.037 0.000 0.820 197 A HN 0.566 nan 8.150 nan 0.000 0.451 198 P HA -0.120 nan 4.420 nan 0.000 0.218 198 P C 0.727 177.934 177.300 -0.156 0.000 1.149 198 P CA 1.536 64.571 63.100 -0.108 0.000 0.817 198 P CB -0.184 31.394 31.700 -0.203 0.000 0.785 199 H N -1.528 117.524 119.070 -0.031 0.000 2.436 199 H HA 0.061 4.613 4.556 -0.007 0.000 0.294 199 H C 1.898 177.202 175.328 -0.040 0.000 1.048 199 H CA 0.872 56.907 56.048 -0.022 0.000 1.353 199 H CB -0.649 29.106 29.762 -0.011 0.000 1.414 199 H HN 0.084 nan 8.280 nan 0.000 0.536 200 I N 0.088 120.683 120.570 0.042 0.000 2.315 200 I HA -0.230 3.936 4.170 -0.007 0.000 0.248 200 I C 2.548 178.661 176.117 -0.007 0.000 1.117 200 I CA 0.949 62.221 61.300 -0.046 0.000 1.404 200 I CB -0.294 37.664 38.000 -0.069 0.000 1.071 200 I HN 0.297 nan 8.210 nan 0.000 0.419 201 A N 0.596 123.436 122.820 0.033 0.000 1.930 201 A HA -0.233 4.083 4.320 -0.007 0.000 0.217 201 A C 2.416 180.003 177.584 0.005 0.000 1.175 201 A CA 1.536 53.598 52.037 0.042 0.000 0.627 201 A CB -0.589 18.436 19.000 0.041 0.000 0.815 201 A HN 0.443 nan 8.150 nan 0.000 0.443 202 M N -0.412 119.166 119.600 -0.036 0.000 2.080 202 M HA -0.166 4.310 4.480 -0.007 0.000 0.260 202 M C 2.088 178.373 176.300 -0.025 0.000 1.068 202 M CA 2.338 57.613 55.300 -0.041 0.000 1.109 202 M CB -0.493 32.057 32.600 -0.082 0.000 1.342 202 M HN 0.427 nan 8.290 nan 0.000 0.405 203 T N 1.132 115.656 114.554 -0.051 0.000 2.635 203 T HA -0.158 4.188 4.350 -0.007 0.000 0.267 203 T C 1.798 176.469 174.700 -0.048 0.000 1.040 203 T CA 1.826 63.868 62.100 -0.097 0.000 1.156 203 T CB -0.639 68.121 68.868 -0.180 0.000 0.863 203 T HN 0.622 nan 8.240 nan 0.000 0.430 204 A N 1.419 124.230 122.820 -0.015 0.000 1.902 204 A HA 0.128 4.443 4.320 -0.007 0.000 0.217 204 A C 2.663 180.277 177.584 0.049 0.000 1.181 204 A CA 1.957 54.016 52.037 0.037 0.000 0.623 204 A CB -1.162 17.894 19.000 0.093 0.000 0.818 204 A HN 0.526 nan 8.150 nan 0.000 0.443 205 A N -0.532 122.316 122.820 0.046 0.000 1.902 205 A HA -0.130 4.186 4.320 -0.007 0.000 0.217 205 A C 2.271 179.910 177.584 0.092 0.000 1.181 205 A CA 1.879 53.952 52.037 0.059 0.000 0.623 205 A CB -0.537 18.492 19.000 0.047 0.000 0.818 205 A HN 0.539 nan 8.150 nan 0.000 0.443 206 M N -0.783 118.879 119.600 0.104 0.000 2.200 206 M HA -0.027 4.449 4.480 -0.007 0.000 0.265 206 M C 2.087 178.522 176.300 0.225 0.000 1.066 206 M CA 1.016 56.443 55.300 0.211 0.000 1.127 206 M CB -0.458 32.209 32.600 0.111 0.000 1.379 206 M HN 0.353 nan 8.290 nan 0.000 0.420 207 L N -0.166 121.122 121.223 0.109 0.000 2.012 207 L HA -0.248 4.087 4.340 -0.007 0.000 0.210 207 L C 2.675 179.607 176.870 0.103 0.000 1.073 207 L CA 1.550 56.448 54.840 0.097 0.000 0.748 207 L CB -0.558 41.528 42.059 0.045 0.000 0.891 207 L HN 0.281 nan 8.230 nan 0.000 0.431 208 R N -0.528 120.023 120.500 0.084 0.000 2.092 208 R HA -0.166 4.170 4.340 -0.007 0.000 0.231 208 R C 2.257 178.587 176.300 0.051 0.000 1.119 208 R CA 1.171 57.307 56.100 0.061 0.000 0.970 208 R CB -0.301 30.029 30.300 0.050 0.000 0.864 208 R HN 0.512 nan 8.270 nan 0.000 0.440 209 Q N -0.000 119.842 119.800 0.071 0.000 2.170 209 Q HA -0.085 4.251 4.340 -0.007 0.000 0.203 209 Q C 1.629 177.600 176.000 -0.049 0.000 0.976 209 Q CA 1.452 57.252 55.803 -0.003 0.000 0.858 209 Q CB 0.023 28.753 28.738 -0.013 0.000 0.907 209 Q HN 0.321 nan 8.270 nan 0.000 0.433 210 A N -0.240 122.630 122.820 0.082 0.000 2.278 210 A HA 0.365 4.681 4.320 -0.007 0.000 0.212 210 A C 1.333 178.948 177.584 0.051 0.000 1.213 210 A CA 0.604 52.694 52.037 0.089 0.000 0.840 210 A CB -0.177 18.979 19.000 0.260 0.000 0.866 210 A HN 0.429 nan 8.150 nan 0.000 0.489 211 G N -1.365 107.454 108.800 0.032 0.000 2.143 211 G HA2 -0.202 3.753 3.960 -0.007 0.000 0.249 211 G HA3 -0.202 3.753 3.960 -0.007 0.000 0.249 211 G C 0.185 175.106 174.900 0.036 0.000 0.981 211 G CA 0.171 45.285 45.100 0.024 0.000 0.665 211 G HN 0.733 nan 8.290 nan 0.000 0.528 212 V N 1.126 121.070 119.914 0.050 0.000 2.649 212 V HA 0.440 4.556 4.120 -0.007 0.000 0.292 212 V C 0.379 176.502 176.094 0.048 0.000 1.055 212 V CA -0.321 62.009 62.300 0.051 0.000 1.023 212 V CB 1.803 33.661 31.823 0.057 0.000 0.992 212 V HN 0.353 nan 8.190 nan 0.000 0.480 213 D N 4.642 125.070 120.400 0.046 0.000 2.347 213 D HA 0.340 4.976 4.640 -0.007 0.000 0.235 213 D C -0.705 175.629 176.300 0.057 0.000 1.149 213 D CA -0.104 53.923 54.000 0.045 0.000 0.850 213 D CB 1.066 41.889 40.800 0.038 0.000 1.061 213 D HN 0.508 nan 8.370 nan 0.000 0.487 214 I N 2.869 123.478 120.570 0.065 0.000 2.466 214 I HA 0.261 4.427 4.170 -0.007 0.000 0.289 214 I C -1.303 174.866 176.117 0.087 0.000 1.026 214 I CA -0.789 60.565 61.300 0.089 0.000 1.078 214 I CB 1.809 39.873 38.000 0.106 0.000 1.249 214 I HN 0.130 nan 8.210 nan 0.000 0.429 215 D N 6.452 126.904 120.400 0.087 0.000 2.373 215 D HA 0.200 4.836 4.640 -0.007 0.000 0.227 215 D C -0.511 175.818 176.300 0.048 0.000 1.091 215 D CA -0.247 53.785 54.000 0.053 0.000 0.840 215 D CB 1.228 42.044 40.800 0.027 0.000 1.060 215 D HN 0.610 nan 8.370 nan 0.000 0.502 216 D N 1.240 121.659 120.400 0.032 0.000 2.593 216 D HA 0.075 4.711 4.640 -0.007 0.000 0.241 216 D C 0.581 176.818 176.300 -0.104 0.000 1.257 216 D CA -0.332 53.640 54.000 -0.047 0.000 0.828 216 D CB 0.219 41.099 40.800 0.133 0.000 1.049 216 D HN 0.057 nan 8.370 nan 0.000 0.490 217 S N -0.581 115.069 115.700 -0.083 0.000 2.453 217 S HA 0.010 4.476 4.470 -0.007 0.000 0.231 217 S C 0.763 175.302 174.600 -0.102 0.000 1.005 217 S CA 0.486 58.644 58.200 -0.070 0.000 0.949 217 S CB 0.054 63.227 63.200 -0.044 0.000 0.774 217 S HN 0.356 nan 8.310 nan 0.000 0.510 218 T N 3.684 118.142 114.554 -0.158 0.000 2.771 218 T HA 0.399 4.745 4.350 -0.007 0.000 0.281 218 T C -2.714 171.828 174.700 -0.263 0.000 0.982 218 T CA -1.454 60.545 62.100 -0.169 0.000 0.978 218 T CB 1.529 70.306 68.868 -0.152 0.000 0.930 218 T HN -0.068 nan 8.240 nan 0.000 0.447 219 P HA 0.169 nan 4.420 nan 0.000 0.266 219 P C 0.275 177.386 177.300 -0.315 0.000 1.195 219 P CA 0.136 63.099 63.100 -0.228 0.000 0.768 219 P CB 0.269 31.908 31.700 -0.101 0.000 0.838 220 N N -0.639 117.783 118.700 -0.465 0.000 2.878 220 N HA -0.206 4.530 4.740 -0.007 0.000 0.247 220 N C -0.002 175.100 175.510 -0.681 0.000 1.021 220 N CA 1.086 53.885 53.050 -0.419 0.000 0.873 220 N CB -1.208 37.281 38.487 0.003 0.000 1.128 220 N HN 0.549 nan 8.380 nan 0.000 0.571 221 R N -0.215 119.636 120.500 -1.081 0.000 2.651 221 R HA 0.509 4.845 4.340 -0.007 0.000 0.278 221 R C -1.561 174.241 176.300 -0.830 0.000 1.010 221 R CA -0.598 55.118 56.100 -0.639 0.000 0.896 221 R CB 1.502 31.625 30.300 -0.295 0.000 1.211 221 R HN 0.093 nan 8.270 nan 0.000 0.456 222 W N 3.652 124.961 121.300 0.016 0.000 2.957 222 W HA 0.336 4.992 4.660 -0.006 0.000 0.336 222 W C -0.999 175.521 176.519 0.003 0.000 1.087 222 W CA -0.700 56.651 57.345 0.010 0.000 1.235 222 W CB 2.274 31.741 29.460 0.011 0.000 1.399 222 W HN 0.477 nan 8.180 nan 0.000 0.480 223 Q N 2.063 121.973 119.800 0.183 0.000 2.325 223 Q HA 0.537 4.873 4.340 -0.007 0.000 0.270 223 Q C -0.701 175.364 176.000 0.108 0.000 1.020 223 Q CA -0.850 55.020 55.803 0.113 0.000 0.785 223 Q CB 2.929 31.701 28.738 0.056 0.000 1.259 223 Q HN 0.111 nan 8.270 nan 0.000 0.452 224 V N 2.855 122.826 119.914 0.094 0.000 2.417 224 V HA 0.396 4.511 4.120 -0.007 0.000 0.291 224 V C 0.060 176.196 176.094 0.069 0.000 1.024 224 V CA -0.778 61.572 62.300 0.083 0.000 0.861 224 V CB 1.521 33.396 31.823 0.086 0.000 0.985 224 V HN 0.664 nan 8.190 nan 0.000 0.436 225 R N 5.379 125.916 120.500 0.061 0.000 2.441 225 R HA 0.363 4.699 4.340 -0.007 0.000 0.284 225 R C -2.398 173.940 176.300 0.062 0.000 1.070 225 R CA -1.616 54.516 56.100 0.054 0.000 1.047 225 R CB 1.118 31.444 30.300 0.043 0.000 1.016 225 R HN 0.470 nan 8.270 nan 0.000 0.477 226 P HA 0.115 nan 4.420 nan 0.000 0.268 226 P C -0.281 177.050 177.300 0.052 0.000 1.204 226 P CA 0.123 63.266 63.100 0.071 0.000 0.768 226 P CB 1.138 32.881 31.700 0.072 0.000 0.842 227 G N 2.683 111.512 108.800 0.048 0.000 2.322 227 G HA2 0.377 4.333 3.960 -0.007 0.000 0.295 227 G HA3 0.377 4.333 3.960 -0.007 0.000 0.295 227 G C -3.383 171.537 174.900 0.033 0.000 1.369 227 G CA -0.873 44.249 45.100 0.037 0.000 0.821 227 G HN 0.348 nan 8.290 nan 0.000 0.536 228 P HA 0.442 nan 4.420 nan 0.000 0.274 228 P C -0.422 176.899 177.300 0.036 0.000 1.231 228 P CA -0.223 62.894 63.100 0.027 0.000 0.790 228 P CB 1.572 33.285 31.700 0.022 0.000 0.951 229 V N 2.075 122.014 119.914 0.041 0.000 2.347 229 V HA 0.430 4.545 4.120 -0.007 0.000 0.280 229 V C 0.763 176.895 176.094 0.064 0.000 1.021 229 V CA -0.808 61.529 62.300 0.061 0.000 0.847 229 V CB 0.696 32.558 31.823 0.065 0.000 0.990 229 V HN 0.745 nan 8.190 nan 0.000 0.444 230 A N 4.314 127.171 122.820 0.061 0.000 2.407 230 A HA 0.718 5.034 4.320 -0.007 0.000 0.248 230 A C 0.664 178.286 177.584 0.064 0.000 1.082 230 A CA 0.120 52.179 52.037 0.037 0.000 0.785 230 A CB 0.440 19.437 19.000 -0.005 0.000 1.020 230 A HN 1.309 nan 8.150 nan 0.000 0.489 231 A N 2.681 125.527 122.820 0.044 0.000 2.354 231 A HA 0.602 4.918 4.320 -0.007 0.000 0.281 231 A C 0.553 178.127 177.584 -0.015 0.000 1.174 231 A CA -0.340 51.733 52.037 0.059 0.000 0.828 231 A CB -0.014 19.014 19.000 0.045 0.000 1.099 231 A HN 1.067 nan 8.150 nan 0.000 0.516 232 R N 1.803 122.265 120.500 -0.064 0.000 2.817 232 R HA 0.656 4.992 4.340 -0.007 0.000 0.268 232 R C -0.663 175.470 176.300 -0.278 0.000 1.027 232 R CA -1.025 54.922 56.100 -0.254 0.000 0.928 232 R CB 1.280 31.291 30.300 -0.482 0.000 1.228 232 R HN 0.601 nan 8.270 nan 0.000 0.469 233 R N 1.069 121.406 120.500 -0.273 0.000 2.308 233 R HA 0.227 4.562 4.340 -0.007 0.000 0.305 233 R C -1.259 174.857 176.300 -0.307 0.000 1.053 233 R CA -0.344 55.659 56.100 -0.163 0.000 0.957 233 R CB 0.663 30.918 30.300 -0.075 0.000 1.022 233 R HN 0.561 nan 8.270 nan 0.000 0.461 234 W N 3.186 124.487 121.300 0.000 0.000 2.469 234 W HA 0.296 4.953 4.660 -0.006 0.000 0.320 234 W C -0.452 176.067 176.519 -0.001 0.000 1.086 234 W CA -0.498 56.847 57.345 -0.001 0.000 1.211 234 W CB 1.329 30.790 29.460 0.001 0.000 1.298 234 W HN 0.320 nan 8.180 nan 0.000 0.525 235 D N 3.754 124.267 120.400 0.187 0.000 2.414 235 D HA 0.248 4.883 4.640 -0.007 0.000 0.232 235 D C -0.285 176.087 176.300 0.119 0.000 1.070 235 D CA -0.315 53.753 54.000 0.113 0.000 0.839 235 D CB 1.548 42.379 40.800 0.052 0.000 1.079 235 D HN 0.020 nan 8.370 nan 0.000 0.521 236 I N 1.994 122.622 120.570 0.097 0.000 2.365 236 I HA 0.128 4.293 4.170 -0.007 0.000 0.291 236 I C 1.106 177.240 176.117 0.028 0.000 1.004 236 I CA -0.389 60.950 61.300 0.066 0.000 1.311 236 I CB 0.846 38.877 38.000 0.052 0.000 1.401 236 I HN 0.165 nan 8.210 nan 0.000 0.491 237 E N 6.829 127.031 120.200 0.003 0.000 2.371 237 E HA 0.250 4.595 4.350 -0.007 0.000 0.257 237 E C -2.242 174.328 176.600 -0.050 0.000 1.134 237 E CA -1.488 54.888 56.400 -0.040 0.000 0.919 237 E CB 0.226 29.876 29.700 -0.084 0.000 1.025 237 E HN 0.337 nan 8.360 nan 0.000 0.438 238 P HA -0.090 nan 4.420 nan 0.000 0.269 238 P C -0.695 176.551 177.300 -0.090 0.000 1.215 238 P CA 0.111 63.174 63.100 -0.062 0.000 0.780 238 P CB 0.417 32.083 31.700 -0.057 0.000 0.898 239 D N 2.513 122.896 120.400 -0.027 0.000 2.344 239 D HA 0.026 4.661 4.640 -0.007 0.000 0.253 239 D C 1.104 177.395 176.300 -0.014 0.000 1.255 239 D CA 0.129 54.125 54.000 -0.007 0.000 0.894 239 D CB 0.436 41.268 40.800 0.055 0.000 1.067 239 D HN 0.276 nan 8.370 nan 0.000 0.492 240 L N 2.728 123.890 121.223 -0.102 0.000 2.217 240 L HA -0.120 4.216 4.340 -0.007 0.000 0.211 240 L C 2.326 179.244 176.870 0.079 0.000 1.107 240 L CA 0.695 55.460 54.840 -0.126 0.000 0.783 240 L CB -0.397 41.478 42.059 -0.308 0.000 0.919 240 L HN 0.356 nan 8.230 nan 0.000 0.442 241 T N -0.405 114.198 114.554 0.081 0.000 2.777 241 T HA -0.144 4.202 4.350 -0.007 0.000 0.266 241 T C 1.650 176.428 174.700 0.130 0.000 1.040 241 T CA 1.624 63.788 62.100 0.106 0.000 1.141 241 T CB -0.308 68.612 68.868 0.085 0.000 0.868 241 T HN 0.418 nan 8.240 nan 0.000 0.444 242 N N 0.938 119.729 118.700 0.151 0.000 2.244 242 N HA 0.009 4.745 4.740 -0.007 0.000 0.183 242 N C 2.146 177.891 175.510 0.391 0.000 1.016 242 N CA 0.726 53.916 53.050 0.233 0.000 0.866 242 N CB -0.149 38.490 38.487 0.254 0.000 0.980 242 N HN 0.331 nan 8.380 nan 0.000 0.430 243 A N 0.714 123.741 122.820 0.346 0.000 1.978 243 A HA -0.108 4.208 4.320 -0.007 0.000 0.220 243 A C 2.307 180.151 177.584 0.433 0.000 1.170 243 A CA 1.068 53.369 52.037 0.439 0.000 0.636 243 A CB -0.693 18.559 19.000 0.419 0.000 0.810 243 A HN 0.109 nan 8.150 nan 0.000 0.448 244 V N -0.184 119.919 119.914 0.316 0.000 2.392 244 V HA -0.285 3.830 4.120 -0.007 0.000 0.249 244 V C 3.022 179.241 176.094 0.208 0.000 1.059 244 V CA 1.850 64.287 62.300 0.228 0.000 1.051 244 V CB -1.208 30.712 31.823 0.161 0.000 0.658 244 V HN 0.637 nan 8.190 nan 0.000 0.455 245 A N -0.241 122.703 122.820 0.205 0.000 1.908 245 A HA -0.203 4.113 4.320 -0.007 0.000 0.218 245 A C 2.012 179.758 177.584 0.269 0.000 1.181 245 A CA 2.010 54.132 52.037 0.142 0.000 0.627 245 A CB -0.702 18.290 19.000 -0.012 0.000 0.818 245 A HN 0.500 nan 8.150 nan 0.000 0.445 246 F N -0.068 120.126 119.950 0.407 0.000 2.146 246 F HA -0.047 4.475 4.527 -0.007 0.000 0.298 246 F C 2.113 177.979 175.800 0.111 0.000 1.096 246 F CA 1.153 59.316 58.000 0.272 0.000 1.275 246 F CB -0.522 38.595 39.000 0.195 0.000 1.008 246 F HN 0.074 nan 8.300 nan 0.000 0.480 247 L N -0.903 120.489 121.223 0.281 0.000 2.131 247 L HA -0.215 4.120 4.340 -0.007 0.000 0.210 247 L C 2.426 179.341 176.870 0.075 0.000 1.092 247 L CA 1.078 55.993 54.840 0.126 0.000 0.759 247 L CB -0.878 41.233 42.059 0.085 0.000 0.903 247 L HN 0.066 nan 8.230 nan 0.000 0.435 248 S N 0.025 115.791 115.700 0.109 0.000 2.400 248 S HA -0.188 4.278 4.470 -0.007 0.000 0.232 248 S C 2.215 176.868 174.600 0.088 0.000 1.025 248 S CA 1.145 59.394 58.200 0.082 0.000 0.993 248 S CB -0.261 63.007 63.200 0.112 0.000 0.808 248 S HN 0.520 nan 8.310 nan 0.000 0.478 249 A N 1.547 124.419 122.820 0.086 0.000 1.933 249 A HA 0.067 4.383 4.320 -0.007 0.000 0.218 249 A C 2.357 179.937 177.584 -0.006 0.000 1.175 249 A CA 1.695 53.736 52.037 0.007 0.000 0.628 249 A CB -1.040 17.848 19.000 -0.186 0.000 0.814 249 A HN 0.523 nan 8.150 nan 0.000 0.444 250 A N -0.482 122.334 122.820 -0.007 0.000 1.877 250 A HA -0.017 4.298 4.320 -0.007 0.000 0.216 250 A C 2.238 179.823 177.584 0.002 0.000 1.186 250 A CA 1.844 53.873 52.037 -0.014 0.000 0.620 250 A CB -1.034 17.950 19.000 -0.026 0.000 0.822 250 A HN 0.412 nan 8.150 nan 0.000 0.443 251 V N 0.354 120.266 119.914 -0.003 0.000 2.287 251 V HA -0.263 3.853 4.120 -0.007 0.000 0.248 251 V C 2.707 178.858 176.094 0.095 0.000 1.053 251 V CA 2.180 64.471 62.300 -0.015 0.000 1.027 251 V CB -1.031 30.724 31.823 -0.113 0.000 0.646 251 V HN 0.634 nan 8.190 nan 0.000 0.447 252 V N -0.774 119.216 119.914 0.127 0.000 2.871 252 V HA -0.007 4.108 4.120 -0.007 0.000 0.256 252 V C 1.999 178.170 176.094 0.129 0.000 1.082 252 V CA 1.759 64.184 62.300 0.208 0.000 1.105 252 V CB -0.249 31.685 31.823 0.186 0.000 0.713 252 V HN 0.625 nan 8.190 nan 0.000 0.473 253 S N -0.514 115.231 115.700 0.075 0.000 2.539 253 S HA 0.431 4.897 4.470 -0.007 0.000 0.221 253 S C 1.630 176.249 174.600 0.030 0.000 0.987 253 S CA 0.563 58.786 58.200 0.039 0.000 0.929 253 S CB 0.220 63.426 63.200 0.010 0.000 0.832 253 S HN 1.819 nan 8.310 nan 0.000 0.492 254 G N 0.621 109.447 108.800 0.042 0.000 2.249 254 G HA2 -0.085 3.871 3.960 -0.007 0.000 0.273 254 G HA3 -0.085 3.871 3.960 -0.007 0.000 0.273 254 G C 0.465 175.368 174.900 0.004 0.000 1.036 254 G CA 0.134 45.251 45.100 0.027 0.000 0.824 254 G HN 1.064 nan 8.290 nan 0.000 0.504 255 G N -1.756 107.041 108.800 -0.005 0.000 2.736 255 G HA2 0.764 4.720 3.960 -0.007 0.000 0.229 255 G HA3 0.764 4.720 3.960 -0.007 0.000 0.229 255 G C -0.423 174.460 174.900 -0.028 0.000 1.380 255 G CA 0.279 45.367 45.100 -0.020 0.000 1.040 255 G HN 0.752 nan 8.290 nan 0.000 0.568 256 T N -0.190 114.342 114.554 -0.036 0.000 3.031 256 T HA 0.509 4.855 4.350 -0.007 0.000 0.305 256 T C -1.059 173.614 174.700 -0.045 0.000 0.985 256 T CA -0.188 61.886 62.100 -0.043 0.000 1.008 256 T CB 1.628 70.471 68.868 -0.041 0.000 1.005 256 T HN 0.347 nan 8.240 nan 0.000 0.444 257 V N 4.073 123.959 119.914 -0.046 0.000 2.588 257 V HA 0.562 4.678 4.120 -0.007 0.000 0.304 257 V C -0.152 175.912 176.094 -0.049 0.000 1.042 257 V CA -0.968 61.310 62.300 -0.036 0.000 0.877 257 V CB 2.117 33.938 31.823 -0.003 0.000 0.996 257 V HN 0.694 nan 8.190 nan 0.000 0.425 258 R N 4.444 124.917 120.500 -0.045 0.000 2.460 258 R HA 0.653 4.989 4.340 -0.007 0.000 0.303 258 R C -1.179 175.109 176.300 -0.020 0.000 0.968 258 R CA -0.750 55.320 56.100 -0.050 0.000 0.889 258 R CB 1.774 32.048 30.300 -0.042 0.000 1.123 258 R HN 0.465 nan 8.270 nan 0.000 0.455 259 I N 2.884 123.460 120.570 0.009 0.000 2.362 259 I HA 0.140 4.306 4.170 -0.007 0.000 0.289 259 I C 0.860 177.051 176.117 0.123 0.000 0.994 259 I CA -0.532 60.823 61.300 0.092 0.000 1.158 259 I CB 1.404 39.563 38.000 0.264 0.000 1.315 259 I HN 0.684 nan 8.210 nan 0.000 0.451 260 T N 1.087 115.687 114.554 0.076 0.000 2.899 260 T HA 0.436 4.782 4.350 -0.007 0.000 0.295 260 T C 1.124 175.892 174.700 0.114 0.000 1.033 260 T CA 0.233 62.378 62.100 0.075 0.000 1.084 260 T CB 1.364 70.251 68.868 0.032 0.000 0.979 260 T HN 1.106 nan 8.240 nan 0.000 0.532 261 G N 1.216 110.086 108.800 0.116 0.000 2.179 261 G HA2 -0.225 3.731 3.960 -0.007 0.000 0.257 261 G HA3 -0.225 3.731 3.960 -0.007 0.000 0.257 261 G C 0.025 175.015 174.900 0.149 0.000 1.010 261 G CA 0.014 45.178 45.100 0.106 0.000 0.736 261 G HN 0.937 nan 8.290 nan 0.000 0.513 262 W N 2.211 123.533 121.300 0.038 0.000 2.308 262 W HA 0.414 5.069 4.660 -0.007 0.000 0.324 262 W C -1.790 174.781 176.519 0.085 0.000 1.387 262 W CA -1.496 55.883 57.345 0.058 0.000 1.250 262 W CB 0.796 30.286 29.460 0.050 0.000 1.257 262 W HN 0.218 nan 8.180 nan 0.000 0.554 263 P HA 0.007 nan 4.420 nan 0.000 0.276 263 P C 0.523 177.948 177.300 0.208 0.000 1.243 263 P CA -0.058 63.063 63.100 0.036 0.000 0.768 263 P CB 1.277 32.914 31.700 -0.105 0.000 0.856 264 R N 4.031 124.638 120.500 0.179 0.000 2.083 264 R HA -0.042 4.294 4.340 -0.007 0.000 0.237 264 R C -0.010 176.333 176.300 0.072 0.000 1.137 264 R CA 1.644 57.803 56.100 0.098 0.000 0.951 264 R CB -1.070 29.233 30.300 0.005 0.000 0.851 264 R HN 0.372 nan 8.270 nan 0.000 0.434 265 V N 0.956 120.899 119.914 0.049 0.000 2.378 265 V HA 0.422 4.538 4.120 -0.007 0.000 0.288 265 V C -0.516 175.589 176.094 0.019 0.000 1.016 265 V CA -0.595 61.725 62.300 0.034 0.000 0.840 265 V CB 1.369 33.203 31.823 0.018 0.000 0.994 265 V HN 0.293 nan 8.190 nan 0.000 0.431 266 S N 2.728 118.437 115.700 0.014 0.000 2.566 266 S HA 0.507 4.973 4.470 -0.007 0.000 0.298 266 S C 0.733 175.321 174.600 -0.021 0.000 1.083 266 S CA -0.156 58.028 58.200 -0.027 0.000 0.978 266 S CB 2.101 65.260 63.200 -0.069 0.000 1.073 266 S HN 0.933 nan 8.310 nan 0.000 0.491 267 V N 1.643 121.538 119.914 -0.032 0.000 3.461 267 V HA 0.265 4.380 4.120 -0.007 0.000 0.267 267 V C 0.499 176.544 176.094 -0.082 0.000 1.186 267 V CA 0.619 62.899 62.300 -0.034 0.000 1.154 267 V CB -1.211 30.608 31.823 -0.008 0.000 0.802 267 V HN 0.747 nan 8.190 nan 0.000 0.474 268 Q N 1.419 121.159 119.800 -0.099 0.000 2.180 268 Q HA 0.416 4.752 4.340 -0.007 0.000 0.241 268 Q C -2.264 173.683 176.000 -0.089 0.000 0.970 268 Q CA -2.167 53.551 55.803 -0.140 0.000 0.919 268 Q CB 1.213 29.869 28.738 -0.138 0.000 1.222 268 Q HN 0.181 nan 8.270 nan 0.000 0.482 269 P HA 0.055 nan 4.420 nan 0.000 0.228 269 P C -0.166 177.210 177.300 0.127 0.000 1.748 269 P CA 0.287 63.397 63.100 0.016 0.000 0.909 269 P CB -0.182 31.476 31.700 -0.070 0.000 1.882 270 A N 1.350 124.246 122.820 0.126 0.000 1.892 270 A HA -0.227 4.089 4.320 -0.007 0.000 0.218 270 A C 1.885 179.640 177.584 0.285 0.000 1.188 270 A CA 1.912 54.102 52.037 0.254 0.000 0.631 270 A CB -0.848 18.324 19.000 0.287 0.000 0.822 270 A HN 0.188 nan 8.150 nan 0.000 0.447 271 D N -1.324 119.211 120.400 0.225 0.000 2.144 271 D HA -0.099 4.537 4.640 -0.007 0.000 0.200 271 D C 1.712 178.088 176.300 0.127 0.000 0.978 271 D CA 1.489 55.588 54.000 0.164 0.000 0.833 271 D CB -0.506 40.363 40.800 0.114 0.000 0.961 271 D HN 0.670 nan 8.370 nan 0.000 0.470 272 H N 0.235 119.355 119.070 0.083 0.000 2.353 272 H HA 0.028 4.580 4.556 -0.007 0.000 0.300 272 H C 2.217 177.588 175.328 0.072 0.000 1.090 272 H CA 0.856 56.945 56.048 0.068 0.000 1.327 272 H CB -0.147 29.656 29.762 0.067 0.000 1.383 272 H HN 0.111 nan 8.280 nan 0.000 0.508 273 I N 0.006 120.717 120.570 0.235 0.000 2.142 273 I HA -0.277 3.889 4.170 -0.007 0.000 0.240 273 I C 1.942 178.126 176.117 0.112 0.000 1.078 273 I CA 1.215 62.625 61.300 0.184 0.000 1.343 273 I CB -0.280 37.875 38.000 0.259 0.000 1.046 273 I HN 0.203 nan 8.210 nan 0.000 0.405 274 L N 0.377 121.671 121.223 0.119 0.000 2.083 274 L HA -0.182 4.154 4.340 -0.007 0.000 0.209 274 L C 2.843 179.707 176.870 -0.011 0.000 1.083 274 L CA 1.188 56.043 54.840 0.024 0.000 0.752 274 L CB -0.823 41.254 42.059 0.029 0.000 0.899 274 L HN 0.255 nan 8.230 nan 0.000 0.433 275 A N 0.506 123.328 122.820 0.003 0.000 1.902 275 A HA -0.171 4.145 4.320 -0.007 0.000 0.217 275 A C 2.220 179.774 177.584 -0.050 0.000 1.181 275 A CA 1.447 53.466 52.037 -0.031 0.000 0.623 275 A CB -0.593 18.378 19.000 -0.049 0.000 0.818 275 A HN 0.328 nan 8.150 nan 0.000 0.443 276 I N -0.304 120.242 120.570 -0.039 0.000 2.226 276 I HA -0.266 3.900 4.170 -0.007 0.000 0.245 276 I C 2.332 178.351 176.117 -0.164 0.000 1.100 276 I CA 1.138 62.383 61.300 -0.091 0.000 1.374 276 I CB -0.292 37.677 38.000 -0.052 0.000 1.057 276 I HN 0.294 nan 8.210 nan 0.000 0.413 277 L N 0.036 121.183 121.223 -0.127 0.000 2.083 277 L HA -0.190 4.146 4.340 -0.007 0.000 0.209 277 L C 2.646 179.418 176.870 -0.163 0.000 1.083 277 L CA 1.336 56.077 54.840 -0.165 0.000 0.752 277 L CB -0.548 41.435 42.059 -0.127 0.000 0.899 277 L HN 0.169 nan 8.230 nan 0.000 0.433 278 R N -0.423 120.006 120.500 -0.119 0.000 2.148 278 R HA -0.131 4.205 4.340 -0.007 0.000 0.227 278 R C 2.259 178.502 176.300 -0.095 0.000 1.103 278 R CA 0.760 56.803 56.100 -0.095 0.000 0.983 278 R CB -0.196 30.065 30.300 -0.066 0.000 0.874 278 R HN 0.483 nan 8.270 nan 0.000 0.451 279 Q N 0.181 119.911 119.800 -0.118 0.000 2.152 279 Q HA -0.166 4.169 4.340 -0.007 0.000 0.206 279 Q C 1.116 177.043 176.000 -0.122 0.000 0.985 279 Q CA 1.158 56.897 55.803 -0.108 0.000 0.863 279 Q CB -0.007 28.649 28.738 -0.136 0.000 0.904 279 Q HN 0.200 nan 8.270 nan 0.000 0.422 280 L N 0.328 121.419 121.223 -0.220 0.000 2.612 280 L HA 0.054 4.389 4.340 -0.007 0.000 0.230 280 L C -0.257 176.551 176.870 -0.102 0.000 1.140 280 L CA 0.645 55.349 54.840 -0.227 0.000 0.896 280 L CB -0.528 41.210 42.059 -0.535 0.000 1.065 280 L HN 0.247 nan 8.230 nan 0.000 0.447 281 N N -2.082 116.575 118.700 -0.072 0.000 2.782 281 N HA -0.190 4.546 4.740 -0.007 0.000 0.251 281 N C 0.390 175.872 175.510 -0.046 0.000 1.101 281 N CA 0.503 53.532 53.050 -0.034 0.000 0.764 281 N CB -1.235 37.260 38.487 0.013 0.000 1.122 281 N HN 0.409 nan 8.380 nan 0.000 0.561 282 A N 0.055 122.822 122.820 -0.088 0.000 2.445 282 A HA 0.500 4.816 4.320 -0.007 0.000 0.242 282 A C 0.601 178.139 177.584 -0.077 0.000 1.075 282 A CA -0.085 51.901 52.037 -0.085 0.000 0.777 282 A CB 0.633 19.562 19.000 -0.118 0.000 1.013 282 A HN 0.112 nan 8.150 nan 0.000 0.493 283 V N 2.890 122.761 119.914 -0.071 0.000 2.383 283 V HA 0.375 4.491 4.120 -0.007 0.000 0.275 283 V C -0.206 175.826 176.094 -0.103 0.000 1.036 283 V CA -0.292 61.964 62.300 -0.072 0.000 0.889 283 V CB 1.143 32.934 31.823 -0.053 0.000 0.985 283 V HN 0.580 nan 8.190 nan 0.000 0.459 284 V N 7.070 126.913 119.914 -0.119 0.000 2.444 284 V HA 0.607 4.722 4.120 -0.007 0.000 0.294 284 V C -0.251 175.733 176.094 -0.183 0.000 1.022 284 V CA -0.436 61.751 62.300 -0.188 0.000 0.850 284 V CB 1.492 33.189 31.823 -0.210 0.000 0.992 284 V HN 0.831 nan 8.190 nan 0.000 0.426 285 I N 0.919 121.351 120.570 -0.230 0.000 2.828 285 I HA 0.713 4.879 4.170 -0.007 0.000 0.302 285 I C -0.958 174.987 176.117 -0.287 0.000 1.101 285 I CA -0.914 60.285 61.300 -0.169 0.000 1.031 285 I CB 2.462 40.416 38.000 -0.077 0.000 1.231 285 I HN 0.525 nan 8.210 nan 0.000 0.427 286 H N 3.590 122.599 119.070 -0.102 0.000 2.552 286 H HA 0.858 5.410 4.556 -0.007 0.000 0.311 286 H C -0.448 174.855 175.328 -0.042 0.000 1.071 286 H CA -0.153 55.849 56.048 -0.077 0.000 1.307 286 H CB 1.593 31.335 29.762 -0.033 0.000 1.416 286 H HN 0.899 nan 8.280 nan 0.000 0.464 287 A N 2.529 125.384 122.820 0.059 0.000 2.517 287 A HA 0.429 4.745 4.320 -0.007 0.000 0.297 287 A C -0.862 176.744 177.584 0.037 0.000 1.050 287 A CA -0.951 51.109 52.037 0.037 0.000 0.694 287 A CB 0.904 19.905 19.000 0.002 0.000 1.277 287 A HN 0.842 nan 8.150 nan 0.000 0.400 288 D N 2.285 122.707 120.400 0.037 0.000 2.723 288 D HA -0.242 4.394 4.640 -0.007 0.000 0.236 288 D C 0.832 177.161 176.300 0.048 0.000 1.138 288 D CA 2.233 56.252 54.000 0.033 0.000 0.676 288 D CB -1.583 39.228 40.800 0.019 0.000 1.069 288 D HN 1.948 nan 8.370 nan 0.000 0.430 289 S N -3.252 112.490 115.700 0.070 0.000 3.257 289 S HA -0.319 4.147 4.470 -0.007 0.000 0.300 289 S C 0.395 175.070 174.600 0.126 0.000 1.275 289 S CA 1.713 59.971 58.200 0.097 0.000 1.023 289 S CB -2.143 61.100 63.200 0.072 0.000 1.180 289 S HN 1.341 nan 8.310 nan 0.000 0.660 290 S N 0.285 116.044 115.700 0.098 0.000 2.689 290 S HA 0.849 5.315 4.470 -0.007 0.000 0.306 290 S C -0.672 173.927 174.600 -0.002 0.000 1.104 290 S CA -0.797 57.453 58.200 0.084 0.000 0.973 290 S CB 1.868 65.085 63.200 0.029 0.000 1.121 290 S HN 1.124 nan 8.310 nan 0.000 0.523 291 L N 1.236 122.390 121.223 -0.114 0.000 2.296 291 L HA 0.606 4.941 4.340 -0.007 0.000 0.286 291 L C -0.311 176.368 176.870 -0.318 0.000 1.023 291 L CA -0.138 54.426 54.840 -0.460 0.000 0.812 291 L CB 1.356 42.780 42.059 -1.059 0.000 1.223 291 L HN 0.954 nan 8.230 nan 0.000 0.421 292 E N 3.857 123.879 120.200 -0.297 0.000 2.171 292 E HA 0.559 4.905 4.350 -0.007 0.000 0.271 292 E C -1.776 174.694 176.600 -0.216 0.000 0.916 292 E CA -0.750 55.532 56.400 -0.197 0.000 0.774 292 E CB 1.786 31.409 29.700 -0.128 0.000 1.128 292 E HN 0.473 nan 8.360 nan 0.000 0.403 293 V N 5.226 125.040 119.914 -0.167 0.000 2.448 293 V HA 0.438 4.554 4.120 -0.007 0.000 0.295 293 V C -0.328 175.710 176.094 -0.094 0.000 1.025 293 V CA -0.712 61.501 62.300 -0.144 0.000 0.859 293 V CB 1.611 33.349 31.823 -0.142 0.000 0.988 293 V HN 0.667 nan 8.190 nan 0.000 0.431 294 R N 3.036 123.487 120.500 -0.083 0.000 2.265 294 R HA 0.571 4.907 4.340 -0.007 0.000 0.328 294 R C 0.467 176.739 176.300 -0.047 0.000 0.969 294 R CA -0.405 55.662 56.100 -0.056 0.000 0.832 294 R CB 1.852 32.123 30.300 -0.049 0.000 1.139 294 R HN 0.890 nan 8.270 nan 0.000 0.457 295 G N 3.903 112.684 108.800 -0.031 0.000 2.569 295 G HA2 0.256 4.211 3.960 -0.007 0.000 0.249 295 G HA3 0.256 4.211 3.960 -0.007 0.000 0.249 295 G C -2.063 172.842 174.900 0.008 0.000 1.216 295 G CA -0.819 44.273 45.100 -0.014 0.000 0.845 295 G HN 0.330 nan 8.290 nan 0.000 0.568 296 P HA 0.137 nan 4.420 nan 0.000 0.277 296 P C 1.077 178.420 177.300 0.072 0.000 1.271 296 P CA -0.087 63.045 63.100 0.054 0.000 0.795 296 P CB 0.869 32.618 31.700 0.082 0.000 1.101 297 T N -3.208 111.380 114.554 0.055 0.000 2.962 297 T HA 0.240 4.586 4.350 -0.007 0.000 0.270 297 T C 0.998 175.731 174.700 0.054 0.000 1.088 297 T CA 0.797 62.924 62.100 0.045 0.000 1.127 297 T CB -0.696 68.188 68.868 0.027 0.000 0.883 297 T HN 0.750 nan 8.240 nan 0.000 0.493 298 G N 0.049 108.901 108.800 0.087 0.000 2.506 298 G HA2 0.535 4.491 3.960 -0.007 0.000 0.292 298 G HA3 0.535 4.491 3.960 -0.007 0.000 0.292 298 G C -2.084 172.912 174.900 0.161 0.000 1.425 298 G CA -0.919 44.216 45.100 0.059 0.000 0.788 298 G HN 0.580 nan 8.290 nan 0.000 0.490 299 Y N -1.145 119.183 120.300 0.047 0.000 2.581 299 Y HA 0.746 5.292 4.550 -0.007 0.000 0.337 299 Y C -1.014 174.939 175.900 0.088 0.000 1.108 299 Y CA -1.388 56.753 58.100 0.068 0.000 1.033 299 Y CB 1.253 39.760 38.460 0.078 0.000 1.318 299 Y HN 0.481 nan 8.280 nan 0.000 0.459 300 D N 0.865 121.393 120.400 0.213 0.000 2.567 300 D HA 0.408 5.044 4.640 -0.007 0.000 0.275 300 D C 0.132 176.585 176.300 0.254 0.000 1.195 300 D CA -0.298 53.785 54.000 0.138 0.000 1.087 300 D CB 0.882 41.734 40.800 0.088 0.000 1.165 300 D HN 0.953 nan 8.370 nan 0.000 0.609 301 G N -0.846 108.027 108.800 0.122 0.000 2.527 301 G HA2 0.457 4.412 3.960 -0.007 0.000 0.248 301 G HA3 0.457 4.412 3.960 -0.007 0.000 0.248 301 G C -0.763 174.221 174.900 0.140 0.000 1.231 301 G CA -0.216 44.903 45.100 0.031 0.000 0.838 301 G HN 0.337 nan 8.290 nan 0.000 0.570 302 F N -1.058 118.942 119.950 0.082 0.000 2.599 302 F HA 0.624 5.146 4.527 -0.007 0.000 0.311 302 F C -1.166 174.662 175.800 0.047 0.000 1.076 302 F CA -1.793 56.243 58.000 0.061 0.000 0.937 302 F CB 1.814 40.848 39.000 0.057 0.000 1.282 302 F HN 0.210 nan 8.300 nan 0.000 0.460 303 D N 1.878 122.411 120.400 0.220 0.000 2.278 303 D HA 0.530 5.166 4.640 -0.007 0.000 0.245 303 D C -1.210 175.221 176.300 0.219 0.000 1.052 303 D CA -0.275 53.815 54.000 0.150 0.000 0.834 303 D CB 2.458 43.309 40.800 0.085 0.000 1.194 303 D HN 0.610 nan 8.370 nan 0.000 0.481 304 V N 2.007 122.049 119.914 0.214 0.000 2.686 304 V HA 0.244 4.360 4.120 -0.007 0.000 0.306 304 V C -1.497 174.678 176.094 0.135 0.000 1.065 304 V CA -0.788 61.626 62.300 0.189 0.000 0.894 304 V CB 2.270 34.243 31.823 0.250 0.000 1.004 304 V HN 0.384 nan 8.190 nan 0.000 0.424 305 D N 5.300 125.768 120.400 0.113 0.000 2.339 305 D HA 0.312 4.948 4.640 -0.007 0.000 0.241 305 D C 0.438 176.814 176.300 0.127 0.000 1.183 305 D CA 0.097 54.161 54.000 0.107 0.000 0.859 305 D CB 1.266 42.125 40.800 0.098 0.000 1.067 305 D HN 0.566 nan 8.370 nan 0.000 0.484 306 L N 3.834 125.126 121.223 0.116 0.000 2.818 306 L HA 0.218 4.554 4.340 -0.007 0.000 0.243 306 L C 1.963 178.916 176.870 0.137 0.000 1.185 306 L CA -0.354 54.558 54.840 0.121 0.000 0.988 306 L CB 0.059 42.174 42.059 0.094 0.000 1.292 306 L HN 0.242 nan 8.230 nan 0.000 0.519 307 R N 1.994 122.578 120.500 0.139 0.000 2.103 307 R HA -0.172 4.164 4.340 -0.007 0.000 0.242 307 R C 2.015 178.368 176.300 0.088 0.000 1.142 307 R CA 2.125 58.312 56.100 0.145 0.000 0.960 307 R CB -0.304 30.051 30.300 0.093 0.000 0.858 307 R HN 0.318 nan 8.270 nan 0.000 0.439 308 A N -0.478 122.375 122.820 0.054 0.000 2.123 308 A HA 0.144 4.459 4.320 -0.007 0.000 0.214 308 A C 0.788 178.346 177.584 -0.043 0.000 1.152 308 A CA 0.800 52.807 52.037 -0.051 0.000 0.728 308 A CB 0.261 19.133 19.000 -0.213 0.000 0.814 308 A HN 0.315 nan 8.150 nan 0.000 0.464 309 V N -4.088 115.849 119.914 0.039 0.000 2.719 309 V HA 0.532 4.648 4.120 -0.007 0.000 0.330 309 V C 0.959 177.126 176.094 0.121 0.000 1.224 309 V CA 0.036 62.381 62.300 0.075 0.000 1.314 309 V CB -0.390 31.464 31.823 0.052 0.000 1.416 309 V HN 0.198 nan 8.190 nan 0.000 0.651 310 G N 1.923 110.829 108.800 0.176 0.000 2.443 310 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.219 310 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.219 310 G C 1.130 176.090 174.900 0.100 0.000 1.131 310 G CA 1.060 46.236 45.100 0.126 0.000 0.775 310 G HN 0.890 nan 8.290 nan 0.000 0.547 311 E N 0.331 120.618 120.200 0.144 0.000 2.401 311 E HA -0.021 4.325 4.350 -0.007 0.000 0.199 311 E C 1.960 178.585 176.600 0.042 0.000 1.023 311 E CA 0.311 56.764 56.400 0.089 0.000 0.859 311 E CB -0.334 29.391 29.700 0.041 0.000 0.780 311 E HN 0.449 nan 8.360 nan 0.000 0.523 312 L N 1.134 122.393 121.223 0.060 0.000 2.552 312 L HA -0.019 4.317 4.340 -0.007 0.000 0.227 312 L C 2.043 178.938 176.870 0.042 0.000 1.146 312 L CA 0.723 55.594 54.840 0.051 0.000 0.858 312 L CB -0.370 41.733 42.059 0.074 0.000 0.969 312 L HN 0.183 nan 8.230 nan 0.000 0.451 313 T N 0.523 115.096 114.554 0.032 0.000 2.684 313 T HA -0.126 4.220 4.350 -0.007 0.000 0.267 313 T C -0.430 174.290 174.700 0.033 0.000 1.036 313 T CA 1.504 63.620 62.100 0.026 0.000 1.148 313 T CB -0.926 67.929 68.868 -0.020 0.000 0.863 313 T HN 0.243 nan 8.240 nan 0.000 0.436 314 P HA -0.022 nan 4.420 nan 0.000 0.214 314 P C 1.826 179.148 177.300 0.036 0.000 1.163 314 P CA 1.121 64.241 63.100 0.033 0.000 0.883 314 P CB -0.131 31.567 31.700 -0.003 0.000 0.788 315 S N -0.710 114.995 115.700 0.008 0.000 2.370 315 S HA -0.117 4.348 4.470 -0.007 0.000 0.226 315 S C 2.007 176.644 174.600 0.063 0.000 1.033 315 S CA 1.319 59.530 58.200 0.018 0.000 1.011 315 S CB -1.289 61.920 63.200 0.014 0.000 0.852 315 S HN -0.060 nan 8.310 nan 0.000 0.457 316 V N 1.964 121.927 119.914 0.083 0.000 2.407 316 V HA -0.190 3.926 4.120 -0.007 0.000 0.248 316 V C 2.606 178.834 176.094 0.223 0.000 1.055 316 V CA 1.625 64.012 62.300 0.145 0.000 1.049 316 V CB -1.207 30.702 31.823 0.144 0.000 0.662 316 V HN 0.540 nan 8.190 nan 0.000 0.455 317 A N 0.029 122.941 122.820 0.153 0.000 1.933 317 A HA -0.093 4.223 4.320 -0.007 0.000 0.218 317 A C 2.440 180.114 177.584 0.149 0.000 1.175 317 A CA 1.980 54.101 52.037 0.140 0.000 0.628 317 A CB -0.720 18.347 19.000 0.113 0.000 0.814 317 A HN 0.559 nan 8.150 nan 0.000 0.444 318 A N -0.024 122.868 122.820 0.121 0.000 1.877 318 A HA -0.080 4.236 4.320 -0.007 0.000 0.216 318 A C 2.160 179.834 177.584 0.151 0.000 1.186 318 A CA 1.535 53.621 52.037 0.081 0.000 0.620 318 A CB -0.683 18.311 19.000 -0.010 0.000 0.822 318 A HN 0.481 nan 8.150 nan 0.000 0.443 319 L N -0.773 120.569 121.223 0.198 0.000 2.042 319 L HA -0.252 4.083 4.340 -0.007 0.000 0.210 319 L C 3.091 180.250 176.870 0.483 0.000 1.076 319 L CA 1.245 56.269 54.840 0.307 0.000 0.749 319 L CB -0.611 41.553 42.059 0.175 0.000 0.893 319 L HN 0.456 nan 8.230 nan 0.000 0.432 320 A N -0.084 122.981 122.820 0.408 0.000 1.930 320 A HA -0.113 4.203 4.320 -0.007 0.000 0.217 320 A C 2.500 180.151 177.584 0.111 0.000 1.175 320 A CA 1.551 53.691 52.037 0.172 0.000 0.627 320 A CB -0.639 18.306 19.000 -0.092 0.000 0.815 320 A HN 0.401 nan 8.150 nan 0.000 0.443 321 A N -0.723 122.169 122.820 0.120 0.000 2.067 321 A HA 0.117 4.432 4.320 -0.007 0.000 0.219 321 A C 1.766 179.393 177.584 0.072 0.000 1.158 321 A CA 1.195 53.282 52.037 0.083 0.000 0.661 321 A CB -0.379 18.681 19.000 0.100 0.000 0.801 321 A HN 0.459 nan 8.150 nan 0.000 0.452 322 L N -0.784 120.507 121.223 0.114 0.000 2.667 322 L HA 0.297 4.633 4.340 -0.007 0.000 0.232 322 L C 1.221 178.037 176.870 -0.089 0.000 1.138 322 L CA -0.242 54.637 54.840 0.066 0.000 0.921 322 L CB -0.190 41.952 42.059 0.139 0.000 1.180 322 L HN 0.363 nan 8.230 nan 0.000 0.487 323 A N 0.400 123.153 122.820 -0.112 0.000 2.346 323 A HA 0.321 4.637 4.320 -0.007 0.000 0.255 323 A C 0.840 178.259 177.584 -0.275 0.000 1.113 323 A CA -0.029 51.767 52.037 -0.402 0.000 0.798 323 A CB 0.192 19.166 19.000 -0.043 0.000 1.073 323 A HN 0.355 nan 8.150 nan 0.000 0.502 324 S N 0.614 116.152 115.700 -0.270 0.000 2.563 324 S HA 0.311 4.777 4.470 -0.007 0.000 0.284 324 S C -2.569 171.979 174.600 -0.087 0.000 1.331 324 S CA -0.864 57.245 58.200 -0.152 0.000 1.047 324 S CB -0.283 62.852 63.200 -0.108 0.000 0.859 324 S HN 0.478 nan 8.310 nan 0.000 0.514 325 P HA 0.207 nan 4.420 nan 0.000 0.262 325 P C 1.168 178.449 177.300 -0.032 0.000 1.182 325 P CA 1.393 64.469 63.100 -0.040 0.000 0.761 325 P CB -0.016 31.666 31.700 -0.029 0.000 0.795 326 G N 1.835 110.619 108.800 -0.027 0.000 2.195 326 G HA2 -0.244 3.711 3.960 -0.007 0.000 0.246 326 G HA3 -0.244 3.711 3.960 -0.007 0.000 0.246 326 G C 0.401 175.285 174.900 -0.026 0.000 0.984 326 G CA 0.002 45.089 45.100 -0.022 0.000 0.633 326 G HN 0.588 nan 8.290 nan 0.000 0.525 327 S N -0.137 115.543 115.700 -0.033 0.000 2.560 327 S HA 0.457 4.922 4.470 -0.007 0.000 0.284 327 S C 0.467 175.035 174.600 -0.053 0.000 1.327 327 S CA 0.110 58.289 58.200 -0.036 0.000 1.055 327 S CB 1.867 65.046 63.200 -0.036 0.000 0.868 327 S HN 0.770 nan 8.310 nan 0.000 0.506 328 V N 3.368 123.246 119.914 -0.059 0.000 2.417 328 V HA 0.477 4.593 4.120 -0.007 0.000 0.291 328 V C -0.014 175.997 176.094 -0.139 0.000 1.024 328 V CA -0.522 61.729 62.300 -0.082 0.000 0.861 328 V CB 1.736 33.529 31.823 -0.051 0.000 0.985 328 V HN 0.853 nan 8.190 nan 0.000 0.436 329 S N 4.632 120.202 115.700 -0.217 0.000 2.536 329 S HA 0.709 5.175 4.470 -0.007 0.000 0.298 329 S C -0.528 173.944 174.600 -0.213 0.000 1.083 329 S CA -0.903 57.078 58.200 -0.366 0.000 0.995 329 S CB 1.698 64.416 63.200 -0.803 0.000 1.058 329 S HN 0.694 nan 8.310 nan 0.000 0.488 330 R N 1.519 121.931 120.500 -0.146 0.000 2.451 330 R HA 0.483 4.819 4.340 -0.007 0.000 0.307 330 R C -1.734 174.563 176.300 -0.004 0.000 0.965 330 R CA -0.752 55.316 56.100 -0.054 0.000 0.865 330 R CB 0.997 31.284 30.300 -0.022 0.000 1.174 330 R HN 0.289 nan 8.270 nan 0.000 0.455 331 L N 2.495 123.722 121.223 0.007 0.000 2.287 331 L HA 0.441 4.777 4.340 -0.007 0.000 0.287 331 L C 0.182 177.070 176.870 0.030 0.000 1.022 331 L CA 0.010 54.879 54.840 0.048 0.000 0.814 331 L CB 1.535 43.623 42.059 0.049 0.000 1.217 331 L HN 0.719 nan 8.230 nan 0.000 0.420 332 S N 0.272 116.000 115.700 0.047 0.000 2.709 332 S HA 0.867 5.333 4.470 -0.007 0.000 0.302 332 S C 0.610 175.241 174.600 0.052 0.000 1.127 332 S CA -0.191 58.032 58.200 0.038 0.000 0.905 332 S CB 1.831 65.056 63.200 0.043 0.000 1.151 332 S HN 1.175 nan 8.310 nan 0.000 0.510 333 G N 0.255 109.088 108.800 0.054 0.000 2.143 333 G HA2 -0.210 3.746 3.960 -0.007 0.000 0.249 333 G HA3 -0.210 3.746 3.960 -0.007 0.000 0.249 333 G C 0.241 175.216 174.900 0.124 0.000 0.981 333 G CA 0.353 45.504 45.100 0.086 0.000 0.665 333 G HN 1.733 nan 8.290 nan 0.000 0.528 334 I N -3.472 117.115 120.570 0.028 0.000 3.491 334 I HA 0.744 4.910 4.170 -0.007 0.000 0.332 334 I C 1.640 177.628 176.117 -0.215 0.000 1.565 334 I CA 0.127 61.334 61.300 -0.155 0.000 1.050 334 I CB 0.239 38.108 38.000 -0.217 0.000 1.348 334 I HN 0.068 nan 8.210 nan 0.000 0.506 335 A N 2.277 125.074 122.820 -0.037 0.000 1.948 335 A HA -0.255 4.061 4.320 -0.007 0.000 0.220 335 A C 2.306 179.841 177.584 -0.082 0.000 1.177 335 A CA 2.243 54.254 52.037 -0.043 0.000 0.636 335 A CB -1.140 17.874 19.000 0.023 0.000 0.815 335 A HN 0.827 nan 8.150 nan 0.000 0.449 336 H N -1.316 117.686 119.070 -0.114 0.000 2.518 336 H HA -0.031 4.521 4.556 -0.007 0.000 0.289 336 H C 1.521 176.676 175.328 -0.289 0.000 1.051 336 H CA 1.329 57.288 56.048 -0.149 0.000 1.280 336 H CB -0.624 29.063 29.762 -0.125 0.000 1.380 336 H HN 0.346 nan 8.280 nan 0.000 0.566 337 L N 1.231 122.009 121.223 -0.742 0.000 2.362 337 L HA -0.045 4.290 4.340 -0.007 0.000 0.219 337 L C 2.652 179.312 176.870 -0.349 0.000 1.134 337 L CA 0.906 55.285 54.840 -0.769 0.000 0.807 337 L CB -0.425 41.252 42.059 -0.637 0.000 0.927 337 L HN 0.168 nan 8.230 nan 0.000 0.447 338 R N -0.969 119.404 120.500 -0.213 0.000 2.193 338 R HA -0.056 4.279 4.340 -0.007 0.000 0.229 338 R C 1.758 178.027 176.300 -0.052 0.000 1.110 338 R CA 1.057 57.092 56.100 -0.109 0.000 0.988 338 R CB -0.439 29.819 30.300 -0.072 0.000 0.871 338 R HN 0.433 nan 8.270 nan 0.000 0.458 339 G N -0.693 108.089 108.800 -0.030 0.000 3.337 339 G HA2 0.029 3.985 3.960 -0.007 0.000 0.246 339 G HA3 0.029 3.985 3.960 -0.007 0.000 0.246 339 G C 0.062 175.043 174.900 0.134 0.000 1.131 339 G CA -0.344 44.785 45.100 0.048 0.000 0.773 339 G HN 0.283 nan 8.290 nan 0.000 0.544 340 H N -0.276 118.761 119.070 -0.054 0.000 2.211 340 H HA 0.126 4.678 4.556 -0.007 0.000 0.327 340 H C 1.473 176.780 175.328 -0.035 0.000 1.722 340 H CA -0.543 55.473 56.048 -0.053 0.000 1.437 340 H CB 0.994 30.712 29.762 -0.073 0.000 1.716 340 H HN 0.043 nan 8.280 nan 0.000 0.618 341 E N -0.050 120.178 120.200 0.046 0.000 2.113 341 E HA -0.174 4.172 4.350 -0.007 0.000 0.210 341 E C 0.603 177.227 176.600 0.040 0.000 1.040 341 E CA 1.729 58.142 56.400 0.022 0.000 0.847 341 E CB -0.066 29.659 29.700 0.041 0.000 0.755 341 E HN 0.294 nan 8.360 nan 0.000 0.459 342 T N -1.140 113.437 114.554 0.038 0.000 2.910 342 T HA 0.143 4.489 4.350 -0.007 0.000 0.287 342 T C -1.440 173.242 174.700 -0.030 0.000 1.050 342 T CA -0.912 61.191 62.100 0.005 0.000 1.011 342 T CB 1.239 70.096 68.868 -0.019 0.000 1.195 342 T HN -0.069 nan 8.240 nan 0.000 0.540 343 D N 1.358 121.717 120.400 -0.069 0.000 2.357 343 D HA 0.101 4.736 4.640 -0.007 0.000 0.265 343 D C 1.204 177.400 176.300 -0.174 0.000 1.334 343 D CA 0.246 54.184 54.000 -0.103 0.000 0.984 343 D CB 0.358 41.106 40.800 -0.087 0.000 1.077 343 D HN 0.409 nan 8.370 nan 0.000 0.514 344 R N 2.651 123.057 120.500 -0.157 0.000 2.148 344 R HA -0.006 4.330 4.340 -0.007 0.000 0.223 344 R C 1.976 178.167 176.300 -0.181 0.000 1.088 344 R CA 0.621 56.615 56.100 -0.177 0.000 0.985 344 R CB 0.168 30.398 30.300 -0.115 0.000 0.880 344 R HN 0.487 nan 8.270 nan 0.000 0.451 345 L N -0.156 120.968 121.223 -0.165 0.000 2.027 345 L HA -0.122 4.214 4.340 -0.007 0.000 0.206 345 L C 2.655 179.442 176.870 -0.138 0.000 1.074 345 L CA 1.342 56.101 54.840 -0.135 0.000 0.745 345 L CB -0.691 41.296 42.059 -0.120 0.000 0.898 345 L HN 0.215 nan 8.230 nan 0.000 0.433 346 A N 0.154 122.883 122.820 -0.152 0.000 1.902 346 A HA -0.126 4.190 4.320 -0.007 0.000 0.217 346 A C 2.521 179.968 177.584 -0.227 0.000 1.181 346 A CA 1.772 53.719 52.037 -0.151 0.000 0.623 346 A CB -0.631 18.296 19.000 -0.122 0.000 0.818 346 A HN 0.406 nan 8.150 nan 0.000 0.443 347 A N -0.422 122.168 122.820 -0.382 0.000 1.897 347 A HA 0.062 4.378 4.320 -0.007 0.000 0.215 347 A C 2.156 179.472 177.584 -0.447 0.000 1.181 347 A CA 1.313 52.937 52.037 -0.689 0.000 0.620 347 A CB -0.561 17.731 19.000 -1.181 0.000 0.821 347 A HN 0.443 nan 8.150 nan 0.000 0.443 348 L N -0.640 120.413 121.223 -0.283 0.000 2.046 348 L HA -0.166 4.170 4.340 -0.007 0.000 0.208 348 L C 2.937 179.735 176.870 -0.119 0.000 1.077 348 L CA 1.504 56.255 54.840 -0.148 0.000 0.747 348 L CB -0.400 41.638 42.059 -0.034 0.000 0.896 348 L HN 0.504 nan 8.230 nan 0.000 0.432 349 S N -0.815 114.818 115.700 -0.112 0.000 2.348 349 S HA -0.209 4.257 4.470 -0.007 0.000 0.221 349 S C 2.022 176.571 174.600 -0.085 0.000 1.033 349 S CA 2.109 60.265 58.200 -0.074 0.000 1.010 349 S CB -0.240 62.919 63.200 -0.067 0.000 0.891 349 S HN 0.430 nan 8.310 nan 0.000 0.442 350 T N 2.244 116.729 114.554 -0.115 0.000 2.684 350 T HA -0.081 4.264 4.350 -0.007 0.000 0.267 350 T C 1.793 176.414 174.700 -0.132 0.000 1.036 350 T CA 1.571 63.617 62.100 -0.091 0.000 1.148 350 T CB -0.413 68.427 68.868 -0.047 0.000 0.863 350 T HN 0.420 nan 8.240 nan 0.000 0.436 351 E N 0.688 120.720 120.200 -0.279 0.000 2.107 351 E HA 0.070 4.415 4.350 -0.007 0.000 0.191 351 E C 2.304 178.774 176.600 -0.217 0.000 0.982 351 E CA 0.538 56.648 56.400 -0.484 0.000 0.809 351 E CB -0.398 28.486 29.700 -1.360 0.000 0.756 351 E HN 0.514 nan 8.360 nan 0.000 0.459 352 I N 1.810 122.348 120.570 -0.055 0.000 2.179 352 I HA -0.268 3.897 4.170 -0.007 0.000 0.242 352 I C 1.826 177.997 176.117 0.091 0.000 1.088 352 I CA 0.931 62.332 61.300 0.169 0.000 1.357 352 I CB -0.287 37.813 38.000 0.166 0.000 1.051 352 I HN 0.023 nan 8.210 nan 0.000 0.409 353 N N 0.895 119.610 118.700 0.025 0.000 2.244 353 N HA -0.121 4.614 4.740 -0.007 0.000 0.183 353 N C 1.875 177.399 175.510 0.023 0.000 1.016 353 N CA 0.992 54.053 53.050 0.020 0.000 0.866 353 N CB -0.299 38.187 38.487 -0.002 0.000 0.980 353 N HN 0.316 nan 8.380 nan 0.000 0.430 354 R N 0.433 120.941 120.500 0.013 0.000 2.120 354 R HA 0.061 4.397 4.340 -0.007 0.000 0.234 354 R C 1.590 177.925 176.300 0.057 0.000 1.123 354 R CA 0.697 56.810 56.100 0.022 0.000 0.975 354 R CB -0.191 30.110 30.300 0.001 0.000 0.866 354 R HN 0.212 nan 8.270 nan 0.000 0.446 355 L N -0.416 120.867 121.223 0.099 0.000 2.627 355 L HA 0.144 4.479 4.340 -0.007 0.000 0.233 355 L C 1.009 177.928 176.870 0.082 0.000 1.144 355 L CA 0.484 55.394 54.840 0.117 0.000 0.892 355 L CB 0.057 42.229 42.059 0.188 0.000 1.039 355 L HN 0.512 nan 8.230 nan 0.000 0.442 356 G N -0.387 108.449 108.800 0.060 0.000 2.157 356 G HA2 -0.205 3.751 3.960 -0.007 0.000 0.239 356 G HA3 -0.205 3.751 3.960 -0.007 0.000 0.239 356 G C 0.528 175.453 174.900 0.041 0.000 0.982 356 G CA -0.192 44.934 45.100 0.043 0.000 0.650 356 G HN 0.507 nan 8.290 nan 0.000 0.527 357 G N -1.126 107.706 108.800 0.054 0.000 2.535 357 G HA2 0.580 4.536 3.960 -0.007 0.000 0.282 357 G HA3 0.580 4.536 3.960 -0.007 0.000 0.282 357 G C -0.148 174.770 174.900 0.030 0.000 1.350 357 G CA 0.550 45.679 45.100 0.049 0.000 1.039 357 G HN 0.754 nan 8.290 nan 0.000 0.509 358 T N -0.601 113.967 114.554 0.024 0.000 3.077 358 T HA 0.349 4.694 4.350 -0.007 0.000 0.359 358 T C -1.184 173.518 174.700 0.005 0.000 1.108 358 T CA -0.310 61.796 62.100 0.009 0.000 1.170 358 T CB 0.456 69.324 68.868 0.001 0.000 1.045 358 T HN 0.605 nan 8.240 nan 0.000 0.505 359 C N 4.135 123.437 119.300 0.004 0.000 2.364 359 C HA 0.778 5.233 4.460 -0.007 0.000 0.324 359 C C -0.185 174.796 174.990 -0.014 0.000 1.234 359 C CA -0.781 58.236 59.018 -0.003 0.000 1.417 359 C CB 0.133 27.879 27.740 0.009 0.000 2.101 359 C HN 0.942 nan 8.230 nan 0.000 0.466 360 R N 3.833 124.322 120.500 -0.019 0.000 2.310 360 R HA 0.395 4.731 4.340 -0.007 0.000 0.324 360 R C -0.189 176.095 176.300 -0.027 0.000 0.955 360 R CA -0.134 55.953 56.100 -0.022 0.000 0.830 360 R CB 0.854 31.143 30.300 -0.019 0.000 1.154 360 R HN 0.886 nan 8.270 nan 0.000 0.458 361 E N 2.607 122.788 120.200 -0.032 0.000 2.384 361 E HA 0.047 4.393 4.350 -0.007 0.000 0.266 361 E C -0.610 175.973 176.600 -0.029 0.000 1.012 361 E CA 0.098 56.476 56.400 -0.037 0.000 0.901 361 E CB 0.703 30.376 29.700 -0.045 0.000 0.967 361 E HN 0.702 nan 8.360 nan 0.000 0.435 362 T N 0.755 115.292 114.554 -0.029 0.000 2.927 362 T HA 0.398 4.743 4.350 -0.007 0.000 0.286 362 T C -1.989 172.698 174.700 -0.021 0.000 1.040 362 T CA -1.620 60.467 62.100 -0.021 0.000 1.010 362 T CB 1.280 70.139 68.868 -0.016 0.000 1.177 362 T HN 0.230 nan 8.240 nan 0.000 0.546 363 P HA 0.016 nan 4.420 nan 0.000 0.219 363 P C 0.536 177.829 177.300 -0.011 0.000 1.146 363 P CA 1.178 64.272 63.100 -0.010 0.000 0.808 363 P CB 0.006 31.704 31.700 -0.002 0.000 0.779 364 D N -2.506 117.887 120.400 -0.011 0.000 2.673 364 D HA 0.305 4.941 4.640 -0.007 0.000 0.278 364 D C 0.701 176.987 176.300 -0.022 0.000 1.393 364 D CA -0.305 53.690 54.000 -0.008 0.000 0.805 364 D CB 0.319 41.127 40.800 0.014 0.000 1.110 364 D HN 0.160 nan 8.370 nan 0.000 0.476 365 G N -0.078 108.700 108.800 -0.037 0.000 2.439 365 G HA2 0.276 4.232 3.960 -0.007 0.000 0.186 365 G HA3 0.276 4.232 3.960 -0.007 0.000 0.186 365 G C -1.982 172.896 174.900 -0.038 0.000 1.260 365 G CA -0.677 44.398 45.100 -0.042 0.000 1.020 365 G HN 0.158 nan 8.290 nan 0.000 0.470 366 L N -0.070 121.137 121.223 -0.028 0.000 2.445 366 L HA 0.726 5.061 4.340 -0.007 0.000 0.262 366 L C -0.754 176.099 176.870 -0.029 0.000 0.974 366 L CA -1.131 53.692 54.840 -0.028 0.000 0.822 366 L CB 2.486 44.531 42.059 -0.024 0.000 1.339 366 L HN 0.414 nan 8.230 nan 0.000 0.409 367 V N 3.672 123.566 119.914 -0.032 0.000 2.409 367 V HA 0.504 4.619 4.120 -0.007 0.000 0.291 367 V C -0.269 175.799 176.094 -0.043 0.000 1.020 367 V CA -0.258 62.017 62.300 -0.042 0.000 0.848 367 V CB 1.931 33.734 31.823 -0.033 0.000 0.990 367 V HN 0.484 nan 8.190 nan 0.000 0.430 368 I N 3.801 124.333 120.570 -0.064 0.000 2.418 368 I HA 0.408 4.574 4.170 -0.007 0.000 0.287 368 I C -0.014 176.064 176.117 -0.064 0.000 1.008 368 I CA -0.156 61.113 61.300 -0.052 0.000 1.104 368 I CB 2.179 40.149 38.000 -0.050 0.000 1.264 368 I HN 0.490 nan 8.210 nan 0.000 0.438 369 T N 5.552 120.084 114.554 -0.037 0.000 2.749 369 T HA 0.496 4.842 4.350 -0.007 0.000 0.287 369 T C 0.212 174.898 174.700 -0.023 0.000 0.970 369 T CA -0.490 61.589 62.100 -0.035 0.000 0.980 369 T CB 1.300 70.154 68.868 -0.024 0.000 0.924 369 T HN 0.640 nan 8.240 nan 0.000 0.456 370 A N 3.439 126.242 122.820 -0.030 0.000 2.454 370 A HA 0.571 4.886 4.320 -0.007 0.000 0.260 370 A C 0.608 178.183 177.584 -0.015 0.000 1.106 370 A CA -0.102 51.924 52.037 -0.019 0.000 0.780 370 A CB 0.162 19.141 19.000 -0.035 0.000 1.044 370 A HN 0.727 nan 8.150 nan 0.000 0.498 371 T N 2.706 117.259 114.554 -0.002 0.000 2.883 371 T HA 0.622 4.968 4.350 -0.007 0.000 0.301 371 T C -2.975 171.730 174.700 0.007 0.000 1.158 371 T CA -1.272 60.828 62.100 0.000 0.000 1.007 371 T CB 1.251 70.121 68.868 0.004 0.000 1.186 371 T HN 0.386 nan 8.240 nan 0.000 0.499 372 P HA 0.293 nan 4.420 nan 0.000 0.264 372 P C -0.795 176.518 177.300 0.022 0.000 1.193 372 P CA -0.007 63.099 63.100 0.010 0.000 0.763 372 P CB 0.286 31.989 31.700 0.006 0.000 0.810 373 L N 3.597 124.838 121.223 0.029 0.000 2.365 373 L HA 0.697 5.033 4.340 -0.007 0.000 0.267 373 L C 0.751 177.645 176.870 0.040 0.000 1.033 373 L CA -0.915 53.952 54.840 0.044 0.000 0.802 373 L CB 1.336 43.430 42.059 0.058 0.000 1.267 373 L HN 0.412 nan 8.230 nan 0.000 0.457 374 R N -0.162 120.369 120.500 0.050 0.000 2.855 374 R HA 0.697 5.033 4.340 -0.007 0.000 0.266 374 R C -2.949 173.385 176.300 0.056 0.000 1.034 374 R CA -2.154 53.973 56.100 0.044 0.000 0.944 374 R CB -0.594 29.727 30.300 0.036 0.000 1.219 374 R HN 0.109 nan 8.270 nan 0.000 0.474 375 P HA 0.389 nan 4.420 nan 0.000 0.268 375 P C -0.409 176.933 177.300 0.069 0.000 1.208 375 P CA 0.229 63.361 63.100 0.052 0.000 0.777 375 P CB 0.714 32.435 31.700 0.035 0.000 0.875 376 G N 0.530 109.382 108.800 0.087 0.000 2.340 376 G HA2 0.412 4.367 3.960 -0.007 0.000 0.299 376 G HA3 0.412 4.367 3.960 -0.007 0.000 0.299 376 G C -2.008 172.966 174.900 0.124 0.000 1.291 376 G CA -0.572 44.586 45.100 0.096 0.000 0.841 376 G HN 0.331 nan 8.290 nan 0.000 0.500 377 I N 1.143 121.785 120.570 0.120 0.000 2.359 377 I HA 0.278 4.444 4.170 -0.007 0.000 0.284 377 I C -0.619 175.600 176.117 0.170 0.000 1.018 377 I CA -0.837 60.542 61.300 0.133 0.000 1.173 377 I CB 1.209 39.251 38.000 0.071 0.000 1.326 377 I HN 0.576 nan 8.210 nan 0.000 0.462 378 W N 7.461 128.792 121.300 0.051 0.000 2.387 378 W HA 0.333 4.989 4.660 -0.007 0.000 0.310 378 W C -0.313 176.238 176.519 0.053 0.000 1.181 378 W CA -0.573 56.809 57.345 0.062 0.000 1.333 378 W CB 0.914 30.416 29.460 0.070 0.000 1.286 378 W HN 0.479 nan 8.180 nan 0.000 0.455 379 R N 3.638 124.024 120.500 -0.190 0.000 2.357 379 R HA 0.318 4.654 4.340 -0.007 0.000 0.296 379 R C 1.063 177.344 176.300 -0.033 0.000 1.052 379 R CA 0.322 56.327 56.100 -0.157 0.000 0.988 379 R CB 1.441 31.510 30.300 -0.386 0.000 1.025 379 R HN 0.532 nan 8.270 nan 0.000 0.469 380 A N 2.450 125.298 122.820 0.047 0.000 2.081 380 A HA 0.046 4.362 4.320 -0.007 0.000 0.214 380 A C -0.042 177.691 177.584 0.248 0.000 1.158 380 A CA 0.205 52.342 52.037 0.166 0.000 0.724 380 A CB -0.446 18.606 19.000 0.086 0.000 0.826 380 A HN 0.922 nan 8.150 nan 0.000 0.463 381 Y N -2.647 117.624 120.300 -0.047 0.000 3.825 381 Y HA -0.244 4.302 4.550 -0.007 0.000 0.221 381 Y C 1.170 177.056 175.900 -0.024 0.000 1.195 381 Y CA 0.761 58.835 58.100 -0.044 0.000 1.699 381 Y CB -2.296 36.131 38.460 -0.056 0.000 1.531 381 Y HN 1.249 nan 8.280 nan 0.000 0.640 382 A N -0.636 122.227 122.820 0.072 0.000 2.826 382 A HA -0.249 4.066 4.320 -0.007 0.000 0.274 382 A C 0.119 177.737 177.584 0.057 0.000 1.443 382 A CA 1.356 53.416 52.037 0.038 0.000 0.833 382 A CB -1.110 17.900 19.000 0.016 0.000 1.023 382 A HN 0.624 nan 8.150 nan 0.000 0.600 383 D N -1.171 119.287 120.400 0.096 0.000 2.469 383 D HA 0.462 5.098 4.640 -0.007 0.000 0.251 383 D C 1.166 177.546 176.300 0.133 0.000 1.173 383 D CA 0.042 54.126 54.000 0.139 0.000 0.882 383 D CB 0.247 41.116 40.800 0.114 0.000 1.129 383 D HN 0.632 nan 8.370 nan 0.000 0.549 384 H N 2.845 121.859 119.070 -0.093 0.000 2.362 384 H HA -0.176 4.376 4.556 -0.007 0.000 0.294 384 H C 1.152 176.363 175.328 -0.196 0.000 1.113 384 H CA 1.286 57.237 56.048 -0.162 0.000 1.253 384 H CB 0.197 29.870 29.762 -0.147 0.000 1.363 384 H HN 0.225 nan 8.280 nan 0.000 0.494 385 R N -0.190 120.063 120.500 -0.413 0.000 2.127 385 R HA 0.023 4.359 4.340 -0.007 0.000 0.217 385 R C 2.304 178.512 176.300 -0.154 0.000 1.074 385 R CA 0.919 56.787 56.100 -0.387 0.000 0.991 385 R CB 0.011 30.055 30.300 -0.428 0.000 0.895 385 R HN 0.364 nan 8.270 nan 0.000 0.450 386 M N 0.684 120.270 119.600 -0.024 0.000 2.117 386 M HA -0.091 4.385 4.480 -0.007 0.000 0.262 386 M C 2.442 178.876 176.300 0.224 0.000 1.065 386 M CA 1.577 56.980 55.300 0.172 0.000 1.114 386 M CB -0.988 31.725 32.600 0.187 0.000 1.361 386 M HN 0.146 nan 8.290 nan 0.000 0.408 387 A N -0.019 122.809 122.820 0.014 0.000 1.877 387 A HA -0.155 4.161 4.320 -0.007 0.000 0.216 387 A C 2.229 179.579 177.584 -0.389 0.000 1.186 387 A CA 1.657 53.624 52.037 -0.117 0.000 0.620 387 A CB -0.577 18.284 19.000 -0.232 0.000 0.822 387 A HN 0.501 nan 8.150 nan 0.000 0.443 388 M N -0.677 118.585 119.600 -0.564 0.000 2.229 388 M HA -0.074 4.402 4.480 -0.007 0.000 0.264 388 M C 2.450 178.454 176.300 -0.494 0.000 1.063 388 M CA 1.099 55.930 55.300 -0.781 0.000 1.114 388 M CB -0.360 31.770 32.600 -0.783 0.000 1.387 388 M HN 0.488 nan 8.290 nan 0.000 0.420 389 A N 0.634 123.265 122.820 -0.315 0.000 1.933 389 A HA -0.032 4.284 4.320 -0.007 0.000 0.218 389 A C 2.336 179.525 177.584 -0.659 0.000 1.175 389 A CA 1.829 53.689 52.037 -0.295 0.000 0.628 389 A CB -1.368 17.602 19.000 -0.049 0.000 0.814 389 A HN 0.532 nan 8.150 nan 0.000 0.444 390 G N -0.546 107.673 108.800 -0.970 0.000 2.408 390 G HA2 0.042 3.998 3.960 -0.007 0.000 0.217 390 G HA3 0.042 3.998 3.960 -0.007 0.000 0.217 390 G C 1.709 176.294 174.900 -0.525 0.000 1.150 390 G CA 1.292 45.565 45.100 -1.380 0.000 0.776 390 G HN 0.753 nan 8.290 nan 0.000 0.542 391 A N 0.919 123.541 122.820 -0.330 0.000 1.902 391 A HA 0.007 4.322 4.320 -0.007 0.000 0.217 391 A C 2.386 179.969 177.584 -0.002 0.000 1.181 391 A CA 1.346 53.300 52.037 -0.137 0.000 0.623 391 A CB -0.371 18.253 19.000 -0.627 0.000 0.818 391 A HN 0.379 nan 8.150 nan 0.000 0.443 392 I N -0.353 120.163 120.570 -0.089 0.000 2.179 392 I HA -0.277 3.889 4.170 -0.007 0.000 0.242 392 I C 2.298 178.438 176.117 0.039 0.000 1.088 392 I CA 1.485 62.851 61.300 0.110 0.000 1.357 392 I CB -0.368 37.660 38.000 0.046 0.000 1.051 392 I HN 0.296 nan 8.210 nan 0.000 0.409 393 I N 0.754 121.241 120.570 -0.139 0.000 2.286 393 I HA -0.213 3.952 4.170 -0.007 0.000 0.248 393 I C 2.625 178.719 176.117 -0.037 0.000 1.115 393 I CA 1.563 62.794 61.300 -0.115 0.000 1.392 393 I CB -0.870 36.967 38.000 -0.272 0.000 1.065 393 I HN 0.282 nan 8.210 nan 0.000 0.418 394 G N 0.954 109.732 108.800 -0.035 0.000 2.470 394 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.220 394 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.220 394 G C 1.684 176.624 174.900 0.067 0.000 1.121 394 G CA 0.346 45.457 45.100 0.019 0.000 0.766 394 G HN 0.303 nan 8.290 nan 0.000 0.553 395 L N -0.522 120.778 121.223 0.129 0.000 2.187 395 L HA -0.010 4.326 4.340 -0.007 0.000 0.213 395 L C 2.622 179.527 176.870 0.058 0.000 1.100 395 L CA 0.895 55.804 54.840 0.114 0.000 0.765 395 L CB -0.110 42.037 42.059 0.145 0.000 0.904 395 L HN 0.099 nan 8.230 nan 0.000 0.437 396 R N -1.068 119.462 120.500 0.050 0.000 2.476 396 R HA 0.304 4.640 4.340 -0.007 0.000 0.276 396 R C -0.597 175.717 176.300 0.023 0.000 0.941 396 R CA 0.198 56.318 56.100 0.034 0.000 1.088 396 R CB 1.186 31.511 30.300 0.042 0.000 1.216 396 R HN 0.042 nan 8.270 nan 0.000 0.533 397 V N 1.214 121.141 119.914 0.021 0.000 2.488 397 V HA 0.452 4.568 4.120 -0.007 0.000 0.293 397 V C 0.057 176.159 176.094 0.014 0.000 1.027 397 V CA -1.439 60.873 62.300 0.019 0.000 0.862 397 V CB 1.526 33.364 31.823 0.026 0.000 1.008 397 V HN 0.167 nan 8.190 nan 0.000 0.428 398 A N 3.142 125.968 122.820 0.009 0.000 2.483 398 A HA 0.579 4.895 4.320 -0.007 0.000 0.238 398 A C 1.472 179.060 177.584 0.007 0.000 1.070 398 A CA 0.768 52.806 52.037 0.001 0.000 0.770 398 A CB -0.043 18.956 19.000 -0.001 0.000 1.008 398 A HN 2.379 nan 8.150 nan 0.000 0.497 399 G N 0.083 108.881 108.800 -0.002 0.000 2.143 399 G HA2 -0.120 3.835 3.960 -0.007 0.000 0.248 399 G HA3 -0.120 3.835 3.960 -0.007 0.000 0.248 399 G C 0.057 174.972 174.900 0.025 0.000 0.991 399 G CA 0.129 45.233 45.100 0.007 0.000 0.689 399 G HN 1.370 nan 8.290 nan 0.000 0.522 400 V N 0.651 120.579 119.914 0.024 0.000 2.432 400 V HA 0.547 4.662 4.120 -0.007 0.000 0.275 400 V C 0.290 176.415 176.094 0.051 0.000 1.043 400 V CA -0.221 62.114 62.300 0.058 0.000 0.925 400 V CB 1.476 33.329 31.823 0.050 0.000 0.985 400 V HN 0.417 nan 8.190 nan 0.000 0.466 401 E N 3.358 123.622 120.200 0.108 0.000 2.248 401 E HA 0.529 4.874 4.350 -0.007 0.000 0.267 401 E C -1.372 175.369 176.600 0.236 0.000 0.877 401 E CA -0.806 55.671 56.400 0.129 0.000 0.759 401 E CB 2.662 32.416 29.700 0.090 0.000 1.182 401 E HN 0.407 nan 8.360 nan 0.000 0.418 402 V N 3.568 123.684 119.914 0.336 0.000 2.498 402 V HA -0.040 4.075 4.120 -0.007 0.000 0.279 402 V C 1.065 177.308 176.094 0.248 0.000 1.048 402 V CA -0.137 62.370 62.300 0.345 0.000 0.967 402 V CB 0.991 33.025 31.823 0.350 0.000 0.988 402 V HN 0.829 nan 8.190 nan 0.000 0.473 403 D N 3.154 123.657 120.400 0.172 0.000 2.117 403 D HA -0.154 4.482 4.640 -0.007 0.000 0.197 403 D C 0.679 177.031 176.300 0.085 0.000 0.987 403 D CA 1.233 55.292 54.000 0.099 0.000 0.829 403 D CB 0.104 40.922 40.800 0.030 0.000 0.961 403 D HN 0.584 nan 8.370 nan 0.000 0.460 404 D N -1.052 119.387 120.400 0.065 0.000 2.468 404 D HA 0.120 4.756 4.640 -0.007 0.000 0.272 404 D C 0.435 176.718 176.300 -0.028 0.000 1.221 404 D CA -0.635 53.376 54.000 0.019 0.000 0.860 404 D CB 0.036 40.834 40.800 -0.004 0.000 1.190 404 D HN -0.036 nan 8.370 nan 0.000 0.509 405 I N 2.020 122.552 120.570 -0.063 0.000 2.614 405 I HA -0.011 4.155 4.170 -0.007 0.000 0.258 405 I C 1.962 177.953 176.117 -0.210 0.000 1.189 405 I CA 1.095 62.237 61.300 -0.263 0.000 1.462 405 I CB -0.045 37.606 38.000 -0.581 0.000 1.092 405 I HN 0.391 nan 8.210 nan 0.000 0.442 406 A N 0.219 122.974 122.820 -0.108 0.000 2.172 406 A HA 0.021 4.337 4.320 -0.007 0.000 0.216 406 A C 2.425 179.966 177.584 -0.072 0.000 1.154 406 A CA 1.151 53.144 52.037 -0.073 0.000 0.701 406 A CB -0.987 17.992 19.000 -0.034 0.000 0.789 406 A HN 0.469 nan 8.150 nan 0.000 0.465 407 A N 0.112 122.886 122.820 -0.076 0.000 2.076 407 A HA -0.115 4.201 4.320 -0.007 0.000 0.220 407 A C 2.283 179.827 177.584 -0.067 0.000 1.160 407 A CA 2.138 54.140 52.037 -0.058 0.000 0.653 407 A CB -1.294 17.687 19.000 -0.032 0.000 0.801 407 A HN 0.812 nan 8.150 nan 0.000 0.455 408 T N -2.140 112.343 114.554 -0.119 0.000 3.051 408 T HA -0.140 4.206 4.350 -0.007 0.000 0.269 408 T C 1.668 176.339 174.700 -0.048 0.000 1.127 408 T CA 1.827 63.857 62.100 -0.118 0.000 1.107 408 T CB -1.252 67.465 68.868 -0.251 0.000 0.898 408 T HN 0.674 nan 8.240 nan 0.000 0.517 409 T N -0.443 114.080 114.554 -0.052 0.000 2.977 409 T HA -0.027 4.319 4.350 -0.007 0.000 0.271 409 T C 1.763 176.416 174.700 -0.079 0.000 1.105 409 T CA 1.124 63.199 62.100 -0.041 0.000 1.116 409 T CB -0.458 68.387 68.868 -0.038 0.000 0.878 409 T HN 0.515 nan 8.240 nan 0.000 0.509 410 K N 1.484 121.793 120.400 -0.150 0.000 2.074 410 K HA -0.160 4.156 4.320 -0.007 0.000 0.209 410 K C 2.038 178.501 176.600 -0.229 0.000 1.048 410 K CA 1.988 58.111 56.287 -0.274 0.000 0.926 410 K CB -0.189 31.969 32.500 -0.570 0.000 0.713 410 K HN 0.662 nan 8.250 nan 0.000 0.444 411 T N -3.220 111.259 114.554 -0.125 0.000 3.041 411 T HA 0.191 4.537 4.350 -0.007 0.000 0.276 411 T C 0.005 174.746 174.700 0.068 0.000 0.948 411 T CA -0.556 61.545 62.100 0.001 0.000 0.885 411 T CB 0.673 69.609 68.868 0.113 0.000 1.175 411 T HN 0.064 nan 8.240 nan 0.000 0.529 412 L N 1.791 123.058 121.223 0.074 0.000 2.392 412 L HA 0.465 4.801 4.340 -0.007 0.000 0.262 412 L C -2.517 174.429 176.870 0.127 0.000 1.498 412 L CA -1.496 53.425 54.840 0.135 0.000 0.820 412 L CB 1.643 43.835 42.059 0.222 0.000 0.990 412 L HN -0.255 nan 8.230 nan 0.000 0.520 413 P HA -0.130 nan 4.420 nan 0.000 0.219 413 P C 0.496 177.851 177.300 0.092 0.000 1.146 413 P CA 1.284 64.421 63.100 0.061 0.000 0.808 413 P CB 0.328 32.048 31.700 0.034 0.000 0.779 414 E N -1.998 118.272 120.200 0.117 0.000 2.445 414 E HA 0.004 4.350 4.350 -0.007 0.000 0.189 414 E C 1.240 177.945 176.600 0.175 0.000 1.069 414 E CA -0.359 56.113 56.400 0.119 0.000 0.871 414 E CB -0.641 29.114 29.700 0.091 0.000 0.991 414 E HN 0.183 nan 8.360 nan 0.000 0.481 415 F N 2.680 122.681 119.950 0.084 0.000 2.087 415 F HA -0.181 4.342 4.527 -0.007 0.000 0.299 415 F C -1.011 174.862 175.800 0.122 0.000 1.100 415 F CA 1.615 59.687 58.000 0.120 0.000 1.226 415 F CB -0.872 38.099 39.000 -0.049 0.000 0.983 415 F HN 0.063 nan 8.300 nan 0.000 0.479 416 P HA -0.211 nan 4.420 nan 0.000 0.215 416 P C 1.479 178.868 177.300 0.150 0.000 1.157 416 P CA 2.115 65.247 63.100 0.053 0.000 0.868 416 P CB -0.258 31.488 31.700 0.077 0.000 0.788 417 R N -0.126 120.445 120.500 0.118 0.000 2.066 417 R HA -0.074 4.261 4.340 -0.007 0.000 0.232 417 R C 2.218 178.580 176.300 0.104 0.000 1.131 417 R CA 1.281 57.449 56.100 0.113 0.000 0.955 417 R CB -0.904 29.448 30.300 0.086 0.000 0.851 417 R HN 0.149 nan 8.270 nan 0.000 0.432 418 L N -0.479 120.805 121.223 0.102 0.000 2.046 418 L HA -0.215 4.120 4.340 -0.007 0.000 0.208 418 L C 2.531 179.533 176.870 0.221 0.000 1.077 418 L CA 1.295 56.210 54.840 0.125 0.000 0.747 418 L CB -0.649 41.506 42.059 0.160 0.000 0.896 418 L HN 0.459 nan 8.230 nan 0.000 0.432 419 W N 0.956 122.199 121.300 -0.097 0.000 2.379 419 W HA -0.224 4.433 4.660 -0.006 0.000 0.307 419 W C 2.504 179.032 176.519 0.014 0.000 1.200 419 W CA 1.648 58.914 57.345 -0.132 0.000 1.297 419 W CB 0.004 29.128 29.460 -0.559 0.000 1.140 419 W HN 0.187 nan 8.180 nan 0.000 0.507 420 A N 0.452 123.412 122.820 0.232 0.000 1.883 420 A HA -0.305 4.011 4.320 -0.007 0.000 0.217 420 A C 1.898 179.499 177.584 0.028 0.000 1.186 420 A CA 2.113 54.227 52.037 0.128 0.000 0.624 420 A CB -1.242 17.856 19.000 0.163 0.000 0.822 420 A HN 0.502 nan 8.150 nan 0.000 0.444 421 E N -0.813 119.407 120.200 0.034 0.000 2.110 421 E HA -0.233 4.112 4.350 -0.007 0.000 0.193 421 E C 2.009 178.584 176.600 -0.042 0.000 0.988 421 E CA 1.415 57.814 56.400 -0.001 0.000 0.804 421 E CB -0.204 29.501 29.700 0.008 0.000 0.745 421 E HN 0.689 nan 8.360 nan 0.000 0.458 422 M N 0.156 119.715 119.600 -0.069 0.000 2.099 422 M HA -0.139 4.337 4.480 -0.007 0.000 0.262 422 M C 1.973 178.164 176.300 -0.181 0.000 1.067 422 M CA 1.378 56.602 55.300 -0.127 0.000 1.124 422 M CB 0.147 32.654 32.600 -0.154 0.000 1.353 422 M HN 0.080 nan 8.290 nan 0.000 0.410 423 V N 0.712 120.479 119.914 -0.245 0.000 2.719 423 V HA 0.125 4.240 4.120 -0.007 0.000 0.252 423 V C 1.249 177.275 176.094 -0.113 0.000 1.065 423 V CA 1.001 63.172 62.300 -0.215 0.000 1.086 423 V CB -1.232 30.437 31.823 -0.256 0.000 0.700 423 V HN 0.841 nan 8.190 nan 0.000 0.467 424 G N 0.000 108.752 108.800 -0.079 0.000 5.446 424 G HA2 0.000 3.956 3.960 -0.007 0.000 0.244 424 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 424 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925