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 1k28_1_A DATA FIRST_RESID 6 DATA SEQUENCE NNLNWFVGVV EDRMDPLKLG RVRVRVVGLH PPQRAQGDVM GIPTEKLPWM DATA SEQUENCE SVIQPITSAA MSGIGGSVTG PVEGTRVYGH FLDKWKTNGI VLGTYGGIVR DATA SEQUENCE EKPNRLEGFS DPTGQYPRRL GNDTNVLNQG GEVGYDSSSN VIQDSNLDTA DATA SEQUENCE INPDDRPLSE IPTDDNPNMS MAEMLRRDEG LRLKVYWDTE GYPTIGIGHL DATA SEQUENCE IMKQPVRDMA QINKVLSKQV GREITGNPGS ITMEEATTLF ERDLADMQRD DATA SEQUENCE IKSHSKVGPV WQAVNRSRQM ALENMAFQMG VGGVAKFNTM LTAMLAGDWE DATA SEQUENCE KAYKAGRDSL WYQQTKGRAS RVTMIILTGN LESYGVEVKT XXXXXXXXXX DATA SEQUENCE XXXXXXDPAD PPIPNDSRIL FKEPVSSYKG EYPYVHTMET ESGHIQEFDD DATA SEQUENCE TPGQERYRLV HPTGTYEEVS PSGRRTRKTV DNLYDITNAD GNFLVAGDKK DATA SEQUENCE TNVGGSEIYY NMDNRLHQID GSNTIFVRGD ETKTVEGNGT ILVKGNVTII DATA SEQUENCE VEGNADITVK GDATTLVEGN QTNTVNGNLS WKVAGTVDWD VGGDWTEKMA DATA SEQUENCE SMSSISSGQY TIDGSRIDIG SXXXXXXHH 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.497 175.510 -0.021 0.000 1.280 6 N CA 0.000 53.022 53.050 -0.046 0.000 0.885 6 N CB 0.000 38.467 38.487 -0.034 0.000 1.341 7 N N -0.181 118.510 118.700 -0.015 0.000 3.179 7 N HA 0.409 5.261 4.740 0.186 0.000 0.250 7 N C -0.712 174.804 175.510 0.009 0.000 1.507 7 N CA -0.641 52.407 53.050 -0.004 0.000 0.883 7 N CB 1.716 40.196 38.487 -0.013 0.000 1.435 7 N HN -0.041 nan 8.380 nan 0.000 0.532 8 L N 0.953 122.169 121.223 -0.011 0.000 2.489 8 L HA 0.115 4.567 4.340 0.186 0.000 0.285 8 L C 0.024 176.908 176.870 0.024 0.000 1.259 8 L CA 0.771 55.587 54.840 -0.041 0.000 0.828 8 L CB -0.028 41.928 42.059 -0.171 0.000 1.094 8 L HN 0.622 nan 8.230 nan 0.000 0.524 9 N N 0.954 119.697 118.700 0.071 0.000 3.127 9 N HA 0.115 4.967 4.740 0.186 0.000 0.239 9 N C -1.104 174.565 175.510 0.265 0.000 1.200 9 N CA -0.571 52.577 53.050 0.164 0.000 0.924 9 N CB 0.777 39.375 38.487 0.185 0.000 1.583 9 N HN 0.552 nan 8.380 nan 0.000 0.645 10 W N 3.653 125.025 121.300 0.119 0.000 2.129 10 W HA 0.611 5.383 4.660 0.186 0.000 0.349 10 W C -1.154 175.458 176.519 0.155 0.000 1.279 10 W CA -0.272 57.118 57.345 0.074 0.000 1.306 10 W CB -0.227 29.330 29.460 0.162 0.000 1.140 10 W HN 0.303 nan 8.180 nan 0.000 0.613 11 F N 0.435 120.443 119.950 0.096 0.000 2.693 11 F HA 0.643 5.282 4.527 0.186 0.000 0.309 11 F C -1.437 174.469 175.800 0.177 0.000 1.129 11 F CA -1.988 55.981 58.000 -0.051 0.000 0.948 11 F CB 0.381 39.353 39.000 -0.048 0.000 1.315 11 F HN 0.438 nan 8.300 nan 0.000 0.447 12 V N -0.376 119.853 119.914 0.525 0.000 2.823 12 V HA 1.107 5.339 4.120 0.186 0.000 0.312 12 V C -0.285 176.138 176.094 0.548 0.000 1.072 12 V CA -0.024 62.605 62.300 0.548 0.000 0.937 12 V CB 0.879 33.010 31.823 0.514 0.000 1.013 12 V HN 1.762 nan 8.190 nan 0.000 0.430 13 G N 1.104 110.204 108.800 0.500 0.000 2.650 13 G HA2 0.667 4.739 3.960 0.186 0.000 0.310 13 G HA3 0.667 4.739 3.960 0.186 0.000 0.310 13 G C -1.784 173.308 174.900 0.320 0.000 1.270 13 G CA -0.306 45.039 45.100 0.408 0.000 0.810 13 G HN 1.236 nan 8.290 nan 0.000 0.493 14 V N -0.073 120.033 119.914 0.319 0.000 2.760 14 V HA 0.496 4.727 4.120 0.186 0.000 0.309 14 V C -0.266 175.913 176.094 0.141 0.000 1.077 14 V CA -0.712 61.717 62.300 0.215 0.000 0.910 14 V CB 1.834 33.825 31.823 0.281 0.000 1.008 14 V HN 0.646 nan 8.190 nan 0.000 0.424 15 V N 3.896 123.865 119.914 0.091 0.000 2.427 15 V HA 0.261 4.493 4.120 0.186 0.000 0.268 15 V C 0.895 177.015 176.094 0.044 0.000 1.046 15 V CA 0.183 62.524 62.300 0.068 0.000 0.970 15 V CB 0.875 32.738 31.823 0.066 0.000 1.001 15 V HN 1.030 nan 8.190 nan 0.000 0.476 16 E N 2.114 122.317 120.200 0.006 0.000 2.447 16 E HA 0.125 4.587 4.350 0.186 0.000 0.204 16 E C -0.178 176.408 176.600 -0.023 0.000 0.977 16 E CA 0.081 56.470 56.400 -0.017 0.000 0.950 16 E CB 0.794 30.451 29.700 -0.072 0.000 0.975 16 E HN 0.710 nan 8.360 nan 0.000 0.496 17 D N 0.138 120.516 120.400 -0.036 0.000 2.936 17 D HA 0.106 4.857 4.640 0.186 0.000 0.238 17 D C 0.042 176.430 176.300 0.146 0.000 1.248 17 D CA -0.423 53.571 54.000 -0.010 0.000 0.903 17 D CB 1.091 41.777 40.800 -0.190 0.000 1.544 17 D HN -0.044 nan 8.370 nan 0.000 0.543 18 R N 2.871 123.509 120.500 0.230 0.000 2.509 18 R HA 0.184 4.636 4.340 0.186 0.000 0.297 18 R C -0.018 176.456 176.300 0.290 0.000 0.951 18 R CA -0.387 55.884 56.100 0.285 0.000 1.103 18 R CB 0.116 30.509 30.300 0.155 0.000 1.283 18 R HN 0.213 nan 8.270 nan 0.000 0.534 19 M N 3.288 123.089 119.600 0.336 0.000 3.709 19 M HA 0.117 4.709 4.480 0.186 0.000 0.197 19 M C -0.371 176.036 176.300 0.178 0.000 1.511 19 M CA -0.494 54.943 55.300 0.228 0.000 1.688 19 M CB -1.097 31.618 32.600 0.191 0.000 1.109 19 M HN 0.026 nan 8.290 nan 0.000 0.561 20 D N 2.612 122.929 120.400 -0.139 0.000 2.487 20 D HA 0.038 4.790 4.640 0.186 0.000 0.243 20 D C -1.638 174.440 176.300 -0.370 0.000 1.154 20 D CA -1.170 52.393 54.000 -0.729 0.000 0.876 20 D CB 1.327 41.734 40.800 -0.655 0.000 1.161 20 D HN 0.162 nan 8.370 nan 0.000 0.478 21 P HA 0.028 nan 4.420 nan 0.000 0.222 21 P C 1.395 178.596 177.300 -0.166 0.000 1.153 21 P CA 0.580 63.584 63.100 -0.159 0.000 0.798 21 P CB 0.268 31.920 31.700 -0.080 0.000 0.796 22 L N -0.968 120.108 121.223 -0.246 0.000 2.313 22 L HA 0.044 4.496 4.340 0.186 0.000 0.214 22 L C 0.511 177.296 176.870 -0.142 0.000 1.119 22 L CA 0.531 55.266 54.840 -0.174 0.000 0.809 22 L CB -0.645 41.298 42.059 -0.193 0.000 0.933 22 L HN -0.060 nan 8.230 nan 0.000 0.449 23 K N -0.290 120.009 120.400 -0.168 0.000 3.161 23 K HA -0.189 4.243 4.320 0.186 0.000 0.270 23 K C 0.104 176.645 176.600 -0.097 0.000 1.115 23 K CA -0.014 56.205 56.287 -0.114 0.000 0.789 23 K CB -1.222 31.236 32.500 -0.071 0.000 1.256 23 K HN 0.066 nan 8.250 nan 0.000 0.492 24 L N -0.287 120.859 121.223 -0.128 0.000 2.728 24 L HA 0.195 4.647 4.340 0.186 0.000 0.238 24 L C 1.541 178.369 176.870 -0.071 0.000 1.143 24 L CA 1.709 56.494 54.840 -0.091 0.000 0.937 24 L CB 0.440 42.439 42.059 -0.099 0.000 1.225 24 L HN 0.578 nan 8.230 nan 0.000 0.507 25 G N 0.012 108.766 108.800 -0.077 0.000 2.159 25 G HA2 -0.306 3.765 3.960 0.186 0.000 0.256 25 G HA3 -0.306 3.765 3.960 0.186 0.000 0.256 25 G C 0.737 175.629 174.900 -0.013 0.000 0.977 25 G CA -0.013 45.067 45.100 -0.034 0.000 0.652 25 G HN 0.359 nan 8.290 nan 0.000 0.531 26 R N -0.283 120.175 120.500 -0.070 0.000 2.694 26 R HA 0.498 4.949 4.340 0.186 0.000 0.268 26 R C 0.572 177.001 176.300 0.214 0.000 1.061 26 R CA 0.561 56.671 56.100 0.016 0.000 1.133 26 R CB 1.097 31.317 30.300 -0.133 0.000 1.020 26 R HN 0.753 nan 8.270 nan 0.000 0.475 27 V N -1.158 119.011 119.914 0.426 0.000 3.007 27 V HA 0.526 4.758 4.120 0.186 0.000 0.311 27 V C -0.470 175.855 176.094 0.384 0.000 1.120 27 V CA -1.323 61.267 62.300 0.483 0.000 0.980 27 V CB 2.225 34.189 31.823 0.236 0.000 1.033 27 V HN 0.671 nan 8.190 nan 0.000 0.429 28 R N 1.582 122.121 120.500 0.066 0.000 2.221 28 R HA 0.726 5.178 4.340 0.186 0.000 0.327 28 R C -1.231 175.038 176.300 -0.051 0.000 1.033 28 R CA -0.452 55.525 56.100 -0.205 0.000 0.887 28 R CB 1.758 31.740 30.300 -0.529 0.000 1.057 28 R HN 0.672 nan 8.270 nan 0.000 0.455 29 V N 4.102 124.014 119.914 -0.002 0.000 2.495 29 V HA 0.337 4.569 4.120 0.186 0.000 0.298 29 V C 0.145 176.300 176.094 0.102 0.000 1.031 29 V CA -0.851 61.484 62.300 0.059 0.000 0.871 29 V CB 1.823 33.696 31.823 0.085 0.000 0.988 29 V HN 0.641 nan 8.190 nan 0.000 0.432 30 R N 3.833 124.408 120.500 0.126 0.000 2.198 30 R HA 0.519 4.971 4.340 0.186 0.000 0.339 30 R C -1.030 175.545 176.300 0.458 0.000 1.020 30 R CA -0.380 55.845 56.100 0.209 0.000 0.864 30 R CB 1.101 31.223 30.300 -0.297 0.000 1.105 30 R HN 0.580 nan 8.270 nan 0.000 0.463 31 V N 5.645 125.790 119.914 0.385 0.000 2.508 31 V HA 0.052 4.284 4.120 0.186 0.000 0.281 31 V C 0.529 176.854 176.094 0.386 0.000 1.041 31 V CA -0.479 61.914 62.300 0.156 0.000 1.016 31 V CB 1.328 32.977 31.823 -0.290 0.000 0.984 31 V HN 0.500 nan 8.190 nan 0.000 0.478 32 V N 6.040 126.124 119.914 0.283 0.000 2.529 32 V HA 0.477 4.709 4.120 0.186 0.000 0.292 32 V C 1.351 177.463 176.094 0.031 0.000 1.028 32 V CA 1.756 64.038 62.300 -0.030 0.000 1.074 32 V CB 0.040 31.770 31.823 -0.154 0.000 0.958 32 V HN 1.277 nan 8.190 nan 0.000 0.481 33 G N 4.242 113.067 108.800 0.043 0.000 3.642 33 G HA2 -0.207 3.865 3.960 0.186 0.000 0.205 33 G HA3 -0.207 3.865 3.960 0.186 0.000 0.205 33 G C 0.361 175.279 174.900 0.029 0.000 1.526 33 G CA 0.078 45.185 45.100 0.012 0.000 1.097 33 G HN 1.047 nan 8.290 nan 0.000 0.596 34 L N 0.740 121.949 121.223 -0.023 0.000 2.592 34 L HA 0.539 4.990 4.340 0.186 0.000 0.227 34 L C 0.565 177.482 176.870 0.077 0.000 1.127 34 L CA -0.057 54.755 54.840 -0.046 0.000 0.884 34 L CB -1.520 40.432 42.059 -0.178 0.000 1.065 34 L HN 0.557 nan 8.230 nan 0.000 0.457 35 H N 2.336 121.482 119.070 0.126 0.000 2.489 35 H HA 0.507 5.175 4.556 0.186 0.000 0.343 35 H C -2.327 173.090 175.328 0.149 0.000 1.086 35 H CA -2.298 53.802 56.048 0.087 0.000 1.198 35 H CB 1.990 31.770 29.762 0.030 0.000 1.490 35 H HN 0.047 nan 8.280 nan 0.000 0.504 36 P HA 0.052 nan 4.420 nan 0.000 0.277 36 P C -2.326 174.991 177.300 0.028 0.000 1.240 36 P CA -1.691 61.478 63.100 0.116 0.000 0.798 36 P CB 1.866 33.591 31.700 0.041 0.000 0.979 37 P HA -0.058 nan 4.420 nan 0.000 0.225 37 P C 0.096 177.366 177.300 -0.049 0.000 1.156 37 P CA 0.987 64.115 63.100 0.047 0.000 0.787 37 P CB 0.265 32.115 31.700 0.251 0.000 0.802 38 Q N 0.559 120.344 119.800 -0.025 0.000 2.244 38 Q HA 0.077 4.529 4.340 0.186 0.000 0.278 38 Q C 1.442 177.393 176.000 -0.083 0.000 1.093 38 Q CA 0.518 56.298 55.803 -0.039 0.000 0.916 38 Q CB 0.070 28.794 28.738 -0.022 0.000 1.159 38 Q HN 0.159 nan 8.270 nan 0.000 0.384 39 R N 1.864 122.315 120.500 -0.081 0.000 2.093 39 R HA 0.093 4.545 4.340 0.186 0.000 0.224 39 R C 0.202 176.452 176.300 -0.084 0.000 1.101 39 R CA 0.818 56.858 56.100 -0.100 0.000 0.979 39 R CB 0.142 30.392 30.300 -0.084 0.000 0.877 39 R HN 0.570 nan 8.270 nan 0.000 0.441 40 A N 2.041 124.825 122.820 -0.060 0.000 2.404 40 A HA 0.033 4.465 4.320 0.186 0.000 0.273 40 A C -0.222 177.331 177.584 -0.051 0.000 1.144 40 A CA -0.255 51.751 52.037 -0.051 0.000 0.806 40 A CB 0.307 19.285 19.000 -0.036 0.000 1.080 40 A HN 0.254 nan 8.150 nan 0.000 0.509 41 Q N 2.565 122.332 119.800 -0.055 0.000 2.242 41 Q HA 0.277 4.729 4.340 0.186 0.000 0.284 41 Q C 0.713 176.689 176.000 -0.039 0.000 1.130 41 Q CA 0.498 56.269 55.803 -0.053 0.000 0.940 41 Q CB 0.254 28.959 28.738 -0.055 0.000 1.146 41 Q HN 0.854 nan 8.270 nan 0.000 0.388 42 G N 3.241 112.021 108.800 -0.035 0.000 2.543 42 G HA2 0.032 4.104 3.960 0.186 0.000 0.267 42 G HA3 0.032 4.104 3.960 0.186 0.000 0.267 42 G C -0.286 174.600 174.900 -0.024 0.000 1.406 42 G CA -0.258 44.827 45.100 -0.025 0.000 1.048 42 G HN 0.714 nan 8.290 nan 0.000 0.548 43 D N -1.681 118.708 120.400 -0.018 0.000 2.137 43 D HA 0.008 4.759 4.640 0.186 0.000 0.202 43 D C 2.437 178.726 176.300 -0.018 0.000 0.970 43 D CA 0.612 54.602 54.000 -0.018 0.000 0.837 43 D CB 0.200 40.992 40.800 -0.013 0.000 0.981 43 D HN 0.084 nan 8.370 nan 0.000 0.475 44 V N 0.267 120.172 119.914 -0.015 0.000 2.635 44 V HA 0.164 4.396 4.120 0.186 0.000 0.233 44 V C 0.968 177.053 176.094 -0.015 0.000 1.097 44 V CA 0.589 62.881 62.300 -0.013 0.000 1.134 44 V CB -0.046 31.774 31.823 -0.006 0.000 0.841 44 V HN 0.131 nan 8.190 nan 0.000 0.496 45 M N -0.135 119.458 119.600 -0.012 0.000 2.706 45 M HA 0.791 5.383 4.480 0.186 0.000 0.304 45 M C -0.060 176.223 176.300 -0.029 0.000 1.217 45 M CA -0.149 55.142 55.300 -0.015 0.000 0.922 45 M CB 1.920 34.522 32.600 0.003 0.000 1.637 45 M HN 0.364 nan 8.290 nan 0.000 0.492 46 G N 1.963 110.735 108.800 -0.047 0.000 2.944 46 G HA2 0.265 4.337 3.960 0.186 0.000 0.471 46 G HA3 0.265 4.337 3.960 0.186 0.000 0.471 46 G C -1.586 173.253 174.900 -0.101 0.000 1.388 46 G CA -1.050 44.010 45.100 -0.068 0.000 1.087 46 G HN 0.873 nan 8.290 nan 0.000 0.596 47 I N 3.919 124.401 120.570 -0.145 0.000 2.500 47 I HA 0.395 4.676 4.170 0.186 0.000 0.286 47 I C -2.235 173.764 176.117 -0.197 0.000 1.063 47 I CA -2.240 58.946 61.300 -0.191 0.000 1.062 47 I CB 3.077 40.901 38.000 -0.292 0.000 1.223 47 I HN 0.273 nan 8.210 nan 0.000 0.435 48 P HA 0.154 nan 4.420 nan 0.000 0.276 48 P C 0.579 177.768 177.300 -0.185 0.000 1.244 48 P CA -0.168 62.843 63.100 -0.149 0.000 0.801 48 P CB 1.146 32.779 31.700 -0.112 0.000 1.006 49 T N 1.308 115.759 114.554 -0.173 0.000 2.699 49 T HA -0.186 4.275 4.350 0.186 0.000 0.268 49 T C 1.241 175.802 174.700 -0.232 0.000 1.036 49 T CA 2.075 64.057 62.100 -0.197 0.000 1.147 49 T CB -0.551 68.227 68.868 -0.150 0.000 0.862 49 T HN 0.562 nan 8.240 nan 0.000 0.446 50 E N 0.817 120.905 120.200 -0.187 0.000 2.338 50 E HA -0.001 4.460 4.350 0.186 0.000 0.197 50 E C 1.943 178.418 176.600 -0.208 0.000 1.007 50 E CA 0.676 56.959 56.400 -0.194 0.000 0.849 50 E CB -0.110 29.522 29.700 -0.112 0.000 0.774 50 E HN 0.238 nan 8.360 nan 0.000 0.506 51 K N -0.151 120.131 120.400 -0.198 0.000 2.314 51 K HA 0.139 4.570 4.320 0.186 0.000 0.198 51 K C -0.101 176.364 176.600 -0.224 0.000 1.045 51 K CA -0.039 56.139 56.287 -0.182 0.000 0.988 51 K CB 0.112 32.519 32.500 -0.156 0.000 0.783 51 K HN 0.038 nan 8.250 nan 0.000 0.484 52 L N 2.219 123.271 121.223 -0.285 0.000 2.499 52 L HA 0.096 4.548 4.340 0.186 0.000 0.273 52 L C -2.189 174.510 176.870 -0.284 0.000 1.195 52 L CA -1.667 52.995 54.840 -0.295 0.000 0.882 52 L CB -0.138 41.738 42.059 -0.305 0.000 1.133 52 L HN -0.007 nan 8.230 nan 0.000 0.483 53 P HA 0.016 nan 4.420 nan 0.000 0.272 53 P C -1.123 176.131 177.300 -0.076 0.000 1.230 53 P CA -0.333 62.716 63.100 -0.086 0.000 0.788 53 P CB 0.374 32.104 31.700 0.050 0.000 0.949 54 W N 1.824 123.144 121.300 0.034 0.000 2.272 54 W HA 0.399 5.171 4.660 0.186 0.000 0.318 54 W C 0.293 176.837 176.519 0.040 0.000 1.255 54 W CA -0.285 57.080 57.345 0.033 0.000 1.200 54 W CB 0.472 29.948 29.460 0.027 0.000 1.170 54 W HN 0.094 nan 8.180 nan 0.000 0.549 55 M N 2.178 121.979 119.600 0.335 0.000 2.528 55 M HA 0.335 4.927 4.480 0.186 0.000 0.321 55 M C -0.222 176.182 176.300 0.172 0.000 1.153 55 M CA -0.581 54.839 55.300 0.200 0.000 0.951 55 M CB 2.029 34.715 32.600 0.143 0.000 1.705 55 M HN 0.221 nan 8.290 nan 0.000 0.451 56 S N 1.542 117.311 115.700 0.115 0.000 2.585 56 S HA 0.561 5.143 4.470 0.186 0.000 0.277 56 S C -0.464 174.170 174.600 0.057 0.000 1.241 56 S CA -0.943 57.300 58.200 0.072 0.000 1.041 56 S CB 1.259 64.489 63.200 0.051 0.000 0.987 56 S HN 0.527 nan 8.310 nan 0.000 0.512 57 V N 1.251 121.190 119.914 0.041 0.000 2.617 57 V HA 0.759 4.991 4.120 0.186 0.000 0.298 57 V C -0.333 175.771 176.094 0.016 0.000 1.048 57 V CA -1.014 61.303 62.300 0.029 0.000 0.964 57 V CB 0.724 32.565 31.823 0.031 0.000 1.004 57 V HN 0.741 nan 8.190 nan 0.000 0.466 58 I N 1.789 122.363 120.570 0.007 0.000 2.412 58 I HA 0.684 4.966 4.170 0.186 0.000 0.296 58 I C -0.045 176.077 176.117 0.007 0.000 0.987 58 I CA -0.471 60.832 61.300 0.005 0.000 1.180 58 I CB 1.486 39.485 38.000 -0.001 0.000 1.340 58 I HN 0.844 nan 8.210 nan 0.000 0.455 59 Q N 5.388 125.193 119.800 0.009 0.000 2.194 59 Q HA 0.594 5.046 4.340 0.186 0.000 0.245 59 Q C -2.307 173.698 176.000 0.008 0.000 0.993 59 Q CA -1.945 53.864 55.803 0.009 0.000 0.930 59 Q CB 0.208 28.951 28.738 0.008 0.000 1.238 59 Q HN 0.558 nan 8.270 nan 0.000 0.486 60 P HA 0.018 nan 4.420 nan 0.000 0.271 60 P C 0.452 177.755 177.300 0.004 0.000 1.216 60 P CA -0.065 63.039 63.100 0.006 0.000 0.776 60 P CB 0.502 32.205 31.700 0.005 0.000 0.881 61 I N -0.213 120.358 120.570 0.003 0.000 2.953 61 I HA -0.150 4.132 4.170 0.186 0.000 0.271 61 I C 1.678 177.794 176.117 -0.001 0.000 1.286 61 I CA 1.569 62.870 61.300 0.002 0.000 1.449 61 I CB -1.624 36.377 38.000 0.001 0.000 1.086 61 I HN 0.236 nan 8.210 nan 0.000 0.483 62 T N -0.705 113.847 114.554 -0.002 0.000 3.085 62 T HA 0.062 4.524 4.350 0.186 0.000 0.263 62 T C 0.890 175.588 174.700 -0.002 0.000 1.127 62 T CA 0.726 62.824 62.100 -0.004 0.000 1.103 62 T CB -0.263 68.601 68.868 -0.006 0.000 0.921 62 T HN 0.472 nan 8.240 nan 0.000 0.510 63 S N 0.140 115.840 115.700 0.000 0.000 2.474 63 S HA 0.647 5.228 4.470 0.186 0.000 0.321 63 S C 1.199 175.800 174.600 0.001 0.000 1.080 63 S CA -0.365 57.836 58.200 0.001 0.000 1.106 63 S CB 1.009 64.211 63.200 0.004 0.000 0.984 63 S HN 0.334 nan 8.310 nan 0.000 0.464 64 A N 4.620 127.440 122.820 -0.000 0.000 2.070 64 A HA 0.335 4.766 4.320 0.186 0.000 0.220 64 A C 1.646 179.230 177.584 0.000 0.000 1.159 64 A CA 1.199 53.236 52.037 -0.000 0.000 0.656 64 A CB -1.189 17.810 19.000 -0.001 0.000 0.800 64 A HN 2.145 nan 8.150 nan 0.000 0.453 65 A N -2.910 119.910 122.820 0.000 0.000 2.748 65 A HA -0.180 4.252 4.320 0.186 0.000 0.297 65 A C 0.319 177.902 177.584 -0.001 0.000 1.508 65 A CA 1.736 53.773 52.037 -0.000 0.000 0.799 65 A CB -2.106 16.895 19.000 0.001 0.000 1.011 65 A HN 1.332 nan 8.150 nan 0.000 0.500 66 M N -0.686 118.913 119.600 -0.002 0.000 2.259 66 M HA 0.607 5.199 4.480 0.186 0.000 0.304 66 M C 0.585 176.883 176.300 -0.003 0.000 1.019 66 M CA 0.801 56.099 55.300 -0.002 0.000 0.922 66 M CB 1.708 34.307 32.600 -0.001 0.000 1.600 66 M HN 1.070 nan 8.290 nan 0.000 0.433 67 S N 4.066 119.764 115.700 -0.004 0.000 3.410 67 S HA -0.100 4.481 4.470 0.186 0.000 0.369 67 S C 1.021 175.619 174.600 -0.005 0.000 0.961 67 S CA 1.289 59.487 58.200 -0.005 0.000 1.248 67 S CB -2.137 61.061 63.200 -0.004 0.000 0.914 67 S HN 1.840 nan 8.310 nan 0.000 0.497 68 G N -0.485 108.312 108.800 -0.005 0.000 2.179 68 G HA2 -0.301 3.771 3.960 0.186 0.000 0.260 68 G HA3 -0.301 3.771 3.960 0.186 0.000 0.260 68 G C 0.056 174.954 174.900 -0.003 0.000 0.977 68 G CA 0.207 45.304 45.100 -0.004 0.000 0.641 68 G HN 0.731 nan 8.290 nan 0.000 0.533 69 I N 1.399 121.968 120.570 -0.003 0.000 2.325 69 I HA 0.580 4.861 4.170 0.186 0.000 0.291 69 I C 0.984 177.100 176.117 -0.001 0.000 1.019 69 I CA 0.610 61.909 61.300 -0.002 0.000 1.302 69 I CB 1.005 39.004 38.000 -0.002 0.000 1.401 69 I HN 0.654 nan 8.210 nan 0.000 0.485 70 G N 3.913 112.713 108.800 0.000 0.000 2.357 70 G HA2 0.281 4.353 3.960 0.186 0.000 0.289 70 G HA3 0.281 4.353 3.960 0.186 0.000 0.289 70 G C -0.726 174.176 174.900 0.003 0.000 1.302 70 G CA -0.400 44.701 45.100 0.001 0.000 0.936 70 G HN 0.826 nan 8.290 nan 0.000 0.513 71 G N -0.919 107.884 108.800 0.005 0.000 2.537 71 G HA2 0.651 4.723 3.960 0.186 0.000 0.297 71 G HA3 0.651 4.723 3.960 0.186 0.000 0.297 71 G C 0.719 175.623 174.900 0.007 0.000 1.310 71 G CA 0.940 46.045 45.100 0.008 0.000 1.027 71 G HN 1.870 nan 8.290 nan 0.000 0.505 72 S N -1.751 113.954 115.700 0.009 0.000 2.573 72 S HA -0.027 4.555 4.470 0.186 0.000 0.297 72 S C 1.170 175.775 174.600 0.008 0.000 1.280 72 S CA -0.400 57.805 58.200 0.009 0.000 1.061 72 S CB 0.699 63.907 63.200 0.012 0.000 0.812 72 S HN 0.425 nan 8.310 nan 0.000 0.500 73 V N 4.544 124.461 119.914 0.004 0.000 3.649 73 V HA 0.121 4.353 4.120 0.186 0.000 0.275 73 V C 1.158 177.256 176.094 0.006 0.000 1.281 73 V CA 1.094 63.395 62.300 0.002 0.000 1.143 73 V CB -0.783 31.036 31.823 -0.007 0.000 0.892 73 V HN 1.017 nan 8.190 nan 0.000 0.441 74 T N -2.886 111.674 114.554 0.010 0.000 2.940 74 T HA 0.782 5.244 4.350 0.186 0.000 0.288 74 T C 0.621 175.332 174.700 0.018 0.000 1.045 74 T CA 0.110 62.221 62.100 0.017 0.000 1.018 74 T CB 2.360 71.239 68.868 0.019 0.000 1.151 74 T HN 0.191 nan 8.240 nan 0.000 0.529 75 G N 0.069 108.879 108.800 0.017 0.000 4.204 75 G HA2 0.211 4.283 3.960 0.186 0.000 0.198 75 G HA3 0.211 4.283 3.960 0.186 0.000 0.198 75 G C -2.430 172.466 174.900 -0.007 0.000 0.964 75 G CA -0.577 44.528 45.100 0.008 0.000 0.914 75 G HN 0.770 nan 8.290 nan 0.000 0.317 76 P HA 0.474 nan 4.420 nan 0.000 0.265 76 P C -0.336 176.946 177.300 -0.029 0.000 1.193 76 P CA 0.072 63.164 63.100 -0.014 0.000 0.765 76 P CB 1.874 33.587 31.700 0.022 0.000 0.823 77 V N 2.444 122.300 119.914 -0.097 0.000 2.994 77 V HA 0.266 4.498 4.120 0.186 0.000 0.318 77 V C -0.215 175.835 176.094 -0.073 0.000 1.085 77 V CA -0.884 61.333 62.300 -0.139 0.000 0.998 77 V CB 1.743 33.303 31.823 -0.439 0.000 1.063 77 V HN 0.615 nan 8.190 nan 0.000 0.447 78 E N 3.066 123.283 120.200 0.028 0.000 2.366 78 E HA 0.332 4.794 4.350 0.186 0.000 0.266 78 E C 0.682 177.336 176.600 0.089 0.000 1.015 78 E CA 0.466 56.915 56.400 0.081 0.000 0.906 78 E CB 0.483 30.259 29.700 0.126 0.000 0.979 78 E HN 1.366 nan 8.360 nan 0.000 0.443 79 G N 3.152 111.990 108.800 0.063 0.000 2.238 79 G HA2 -0.248 3.824 3.960 0.186 0.000 0.217 79 G HA3 -0.248 3.824 3.960 0.186 0.000 0.217 79 G C 0.342 175.251 174.900 0.015 0.000 0.996 79 G CA -0.010 45.132 45.100 0.069 0.000 0.632 79 G HN 0.601 nan 8.290 nan 0.000 0.503 80 T N 2.704 117.239 114.554 -0.032 0.000 2.831 80 T HA 0.340 4.802 4.350 0.186 0.000 0.291 80 T C 0.823 175.469 174.700 -0.091 0.000 0.981 80 T CA 0.288 62.340 62.100 -0.080 0.000 1.174 80 T CB 0.441 69.262 68.868 -0.078 0.000 0.929 80 T HN 0.387 nan 8.240 nan 0.000 0.532 81 R N 2.090 122.453 120.500 -0.229 0.000 2.389 81 R HA 0.520 4.972 4.340 0.186 0.000 0.295 81 R C -0.299 175.720 176.300 -0.468 0.000 1.075 81 R CA -0.351 55.504 56.100 -0.408 0.000 1.005 81 R CB 0.865 30.673 30.300 -0.820 0.000 0.987 81 R HN 0.364 nan 8.270 nan 0.000 0.452 82 V N 3.960 123.830 119.914 -0.074 0.000 3.102 82 V HA 0.459 4.691 4.120 0.186 0.000 0.312 82 V C -1.697 174.643 176.094 0.411 0.000 1.135 82 V CA -0.807 61.587 62.300 0.156 0.000 1.022 82 V CB 2.121 34.034 31.823 0.149 0.000 1.056 82 V HN 0.713 nan 8.190 nan 0.000 0.436 83 Y N 2.640 123.030 120.300 0.150 0.000 2.446 83 Y HA 0.862 5.524 4.550 0.186 0.000 0.345 83 Y C -0.019 175.643 175.900 -0.397 0.000 0.984 83 Y CA 0.382 58.453 58.100 -0.047 0.000 1.058 83 Y CB 2.097 40.566 38.460 0.015 0.000 1.220 83 Y HN 0.911 nan 8.280 nan 0.000 0.455 84 G N 3.192 110.880 108.800 -1.854 0.000 2.488 84 G HA2 0.414 4.485 3.960 0.186 0.000 0.301 84 G HA3 0.414 4.485 3.960 0.186 0.000 0.301 84 G C -2.209 171.697 174.900 -1.657 0.000 1.339 84 G CA -0.918 43.134 45.100 -1.746 0.000 0.803 84 G HN 0.667 nan 8.290 nan 0.000 0.482 85 H N -0.999 117.638 119.070 -0.723 0.000 2.731 85 H HA 0.672 5.340 4.556 0.186 0.000 0.368 85 H C -1.299 174.031 175.328 0.004 0.000 1.168 85 H CA -1.146 54.756 56.048 -0.243 0.000 1.181 85 H CB 1.670 31.389 29.762 -0.072 0.000 1.743 85 H HN 0.285 nan 8.280 nan 0.000 0.547 86 F N 1.324 121.491 119.950 0.361 0.000 2.427 86 F HA 0.140 4.778 4.527 0.186 0.000 0.346 86 F C 0.826 176.716 175.800 0.150 0.000 1.120 86 F CA -0.752 57.391 58.000 0.239 0.000 1.033 86 F CB 1.198 40.285 39.000 0.146 0.000 1.126 86 F HN 0.271 nan 8.300 nan 0.000 0.462 87 L N 2.625 124.027 121.223 0.298 0.000 2.612 87 L HA 0.119 4.570 4.340 0.186 0.000 0.230 87 L C -0.030 176.921 176.870 0.135 0.000 1.140 87 L CA 0.445 55.395 54.840 0.184 0.000 0.896 87 L CB -2.074 40.074 42.059 0.147 0.000 1.065 87 L HN 0.540 nan 8.230 nan 0.000 0.447 88 D N -1.938 118.551 120.400 0.149 0.000 2.579 88 D HA 0.173 4.924 4.640 0.186 0.000 0.257 88 D C 0.786 177.053 176.300 -0.055 0.000 1.176 88 D CA -0.615 53.410 54.000 0.041 0.000 0.914 88 D CB 1.087 41.938 40.800 0.086 0.000 1.431 88 D HN -0.179 nan 8.370 nan 0.000 0.454 89 K N 0.089 120.343 120.400 -0.242 0.000 2.167 89 K HA -0.052 4.380 4.320 0.186 0.000 0.203 89 K C 1.462 177.849 176.600 -0.355 0.000 1.052 89 K CA 0.568 56.625 56.287 -0.383 0.000 0.956 89 K CB -0.349 31.774 32.500 -0.627 0.000 0.735 89 K HN 0.587 nan 8.250 nan 0.000 0.451 90 W N 1.881 123.135 121.300 -0.075 0.000 2.519 90 W HA 0.079 4.851 4.660 0.186 0.000 0.266 90 W C 0.053 176.445 176.519 -0.212 0.000 1.253 90 W CA -0.265 57.016 57.345 -0.108 0.000 1.274 90 W CB 0.039 29.462 29.460 -0.060 0.000 1.114 90 W HN 0.053 nan 8.180 nan 0.000 0.596 91 K N 0.077 120.424 120.400 -0.088 0.000 3.181 91 K HA -0.195 4.236 4.320 0.186 0.000 0.269 91 K C 0.519 176.954 176.600 -0.276 0.000 1.097 91 K CA 0.853 56.812 56.287 -0.546 0.000 0.783 91 K CB -2.048 29.790 32.500 -1.105 0.000 1.267 91 K HN 0.389 nan 8.250 nan 0.000 0.484 92 T N -3.742 110.868 114.554 0.094 0.000 2.971 92 T HA 0.019 4.481 4.350 0.186 0.000 0.252 92 T C 0.391 175.240 174.700 0.249 0.000 1.022 92 T CA 0.048 62.245 62.100 0.162 0.000 0.980 92 T CB 0.191 69.141 68.868 0.136 0.000 1.044 92 T HN 0.384 nan 8.240 nan 0.000 0.501 93 N N 0.717 119.602 118.700 0.309 0.000 2.621 93 N HA 0.519 5.370 4.740 0.186 0.000 0.237 93 N C -0.551 175.155 175.510 0.327 0.000 0.997 93 N CA -0.512 52.700 53.050 0.270 0.000 0.918 93 N CB 0.806 39.415 38.487 0.204 0.000 1.122 93 N HN 0.437 nan 8.380 nan 0.000 0.510 94 G N 2.660 111.588 108.800 0.214 0.000 2.481 94 G HA2 0.627 4.699 3.960 0.186 0.000 0.315 94 G HA3 0.627 4.699 3.960 0.186 0.000 0.315 94 G C -0.598 174.345 174.900 0.071 0.000 1.231 94 G CA -0.717 44.399 45.100 0.026 0.000 0.968 94 G HN 0.581 nan 8.290 nan 0.000 0.482 95 I N -1.328 119.287 120.570 0.076 0.000 2.647 95 I HA 0.705 4.987 4.170 0.186 0.000 0.295 95 I C -1.091 175.014 176.117 -0.020 0.000 1.078 95 I CA -1.302 60.024 61.300 0.042 0.000 1.048 95 I CB 2.429 40.440 38.000 0.017 0.000 1.239 95 I HN 0.182 nan 8.210 nan 0.000 0.421 96 V N 6.371 126.288 119.914 0.005 0.000 2.364 96 V HA 0.259 4.491 4.120 0.186 0.000 0.272 96 V C 0.916 176.964 176.094 -0.078 0.000 1.036 96 V CA -0.241 62.034 62.300 -0.040 0.000 0.880 96 V CB 1.280 33.140 31.823 0.062 0.000 0.991 96 V HN 0.740 nan 8.190 nan 0.000 0.460 97 L N 4.393 125.521 121.223 -0.158 0.000 2.249 97 L HA 0.457 4.909 4.340 0.186 0.000 0.207 97 L C 1.115 177.997 176.870 0.020 0.000 1.090 97 L CA 0.855 55.648 54.840 -0.079 0.000 0.802 97 L CB -0.086 41.895 42.059 -0.131 0.000 0.947 97 L HN 0.749 nan 8.230 nan 0.000 0.453 98 G N -1.248 107.597 108.800 0.075 0.000 2.608 98 G HA2 0.489 4.561 3.960 0.186 0.000 0.291 98 G HA3 0.489 4.561 3.960 0.186 0.000 0.291 98 G C -1.444 173.544 174.900 0.146 0.000 1.425 98 G CA -0.330 44.833 45.100 0.104 0.000 0.787 98 G HN -0.243 nan 8.290 nan 0.000 0.484 99 T N 0.156 114.781 114.554 0.117 0.000 2.918 99 T HA 0.723 5.184 4.350 0.186 0.000 0.286 99 T C -1.093 173.702 174.700 0.157 0.000 1.026 99 T CA -0.177 61.978 62.100 0.091 0.000 1.031 99 T CB 1.276 70.155 68.868 0.019 0.000 1.046 99 T HN 0.712 nan 8.240 nan 0.000 0.479 100 Y N -1.174 119.156 120.300 0.050 0.000 2.581 100 Y HA 0.878 5.539 4.550 0.186 0.000 0.345 100 Y C -0.228 175.694 175.900 0.037 0.000 1.036 100 Y CA -1.521 56.598 58.100 0.033 0.000 1.042 100 Y CB 1.166 39.641 38.460 0.024 0.000 1.289 100 Y HN 0.822 nan 8.280 nan 0.000 0.471 101 G N -0.609 108.295 108.800 0.172 0.000 2.574 101 G HA2 0.673 4.744 3.960 0.186 0.000 0.299 101 G HA3 0.673 4.744 3.960 0.186 0.000 0.299 101 G C -1.145 173.846 174.900 0.151 0.000 1.298 101 G CA -0.639 44.512 45.100 0.084 0.000 0.952 101 G HN 1.203 nan 8.290 nan 0.000 0.477 102 G N -0.949 107.915 108.800 0.106 0.000 2.788 102 G HA2 0.531 4.602 3.960 0.186 0.000 0.293 102 G HA3 0.531 4.602 3.960 0.186 0.000 0.293 102 G C -1.086 173.852 174.900 0.063 0.000 1.392 102 G CA -0.911 44.251 45.100 0.102 0.000 0.810 102 G HN 0.683 nan 8.290 nan 0.000 0.508 103 I N 1.163 121.763 120.570 0.050 0.000 2.379 103 I HA 0.154 4.436 4.170 0.186 0.000 0.290 103 I C 0.081 176.221 176.117 0.038 0.000 1.063 103 I CA -0.385 60.935 61.300 0.034 0.000 1.351 103 I CB 1.497 39.510 38.000 0.020 0.000 1.410 103 I HN -0.042 nan 8.210 nan 0.000 0.505 104 V N 8.490 128.425 119.914 0.036 0.000 2.352 104 V HA 0.108 4.340 4.120 0.186 0.000 0.253 104 V C 1.466 177.579 176.094 0.032 0.000 1.083 104 V CA -0.280 62.043 62.300 0.039 0.000 0.993 104 V CB 0.094 31.942 31.823 0.042 0.000 1.111 104 V HN 0.691 nan 8.190 nan 0.000 0.490 105 R N 3.084 123.603 120.500 0.031 0.000 2.115 105 R HA 0.042 4.494 4.340 0.186 0.000 0.226 105 R C 0.715 177.030 176.300 0.025 0.000 1.100 105 R CA 0.630 56.745 56.100 0.025 0.000 0.980 105 R CB 0.162 30.477 30.300 0.024 0.000 0.875 105 R HN 0.926 nan 8.270 nan 0.000 0.445 106 E N -0.344 119.874 120.200 0.030 0.000 2.352 106 E HA 0.274 4.735 4.350 0.186 0.000 0.280 106 E C -1.455 175.166 176.600 0.035 0.000 0.930 106 E CA -0.925 55.493 56.400 0.029 0.000 0.765 106 E CB 1.537 31.254 29.700 0.028 0.000 1.219 106 E HN -0.331 nan 8.360 nan 0.000 0.434 107 K N 3.423 123.842 120.400 0.031 0.000 2.412 107 K HA 0.173 4.605 4.320 0.186 0.000 0.284 107 K C -1.803 174.820 176.600 0.038 0.000 1.046 107 K CA -1.063 55.245 56.287 0.034 0.000 0.999 107 K CB 0.350 32.864 32.500 0.025 0.000 0.941 107 K HN 0.396 nan 8.250 nan 0.000 0.474 108 P HA -0.007 nan 4.420 nan 0.000 0.272 108 P C -0.895 176.433 177.300 0.047 0.000 1.254 108 P CA -0.359 62.775 63.100 0.056 0.000 0.795 108 P CB 0.478 32.223 31.700 0.074 0.000 1.022 109 N N 0.867 119.598 118.700 0.051 0.000 2.521 109 N HA 0.033 4.885 4.740 0.186 0.000 0.236 109 N C 1.239 176.770 175.510 0.035 0.000 1.067 109 N CA -0.157 52.916 53.050 0.039 0.000 0.939 109 N CB -0.181 38.330 38.487 0.039 0.000 1.201 109 N HN 0.350 nan 8.380 nan 0.000 0.511 110 R N 3.041 123.556 120.500 0.026 0.000 2.228 110 R HA -0.154 4.298 4.340 0.186 0.000 0.259 110 R C 0.979 177.285 176.300 0.010 0.000 1.183 110 R CA 1.507 57.618 56.100 0.019 0.000 1.002 110 R CB 0.053 30.358 30.300 0.008 0.000 0.879 110 R HN 0.601 nan 8.270 nan 0.000 0.467 111 L N 0.022 121.251 121.223 0.009 0.000 2.341 111 L HA 0.046 4.498 4.340 0.186 0.000 0.214 111 L C 0.816 177.685 176.870 -0.002 0.000 1.115 111 L CA 0.358 55.198 54.840 0.001 0.000 0.820 111 L CB -0.138 41.923 42.059 0.002 0.000 0.944 111 L HN 0.101 nan 8.230 nan 0.000 0.452 112 E N 0.332 120.541 120.200 0.014 0.000 2.280 112 E HA 0.318 4.779 4.350 0.186 0.000 0.264 112 E C 0.054 176.655 176.600 0.001 0.000 1.064 112 E CA -0.154 56.258 56.400 0.020 0.000 0.900 112 E CB 1.355 31.091 29.700 0.060 0.000 1.123 112 E HN 0.065 nan 8.360 nan 0.000 0.418 113 G N -0.361 108.411 108.800 -0.047 0.000 2.653 113 G HA2 0.222 4.294 3.960 0.186 0.000 0.265 113 G HA3 0.222 4.294 3.960 0.186 0.000 0.265 113 G C -0.368 174.500 174.900 -0.055 0.000 1.237 113 G CA -0.391 44.592 45.100 -0.195 0.000 0.946 113 G HN 0.619 nan 8.290 nan 0.000 0.522 114 F N -1.025 118.946 119.950 0.035 0.000 3.080 114 F HA -0.218 4.421 4.527 0.186 0.000 0.292 114 F C 1.038 176.865 175.800 0.045 0.000 0.891 114 F CA 0.726 58.757 58.000 0.051 0.000 1.086 114 F CB -1.931 37.108 39.000 0.065 0.000 1.095 114 F HN 0.832 nan 8.300 nan 0.000 0.633 115 S N -2.498 113.284 115.700 0.138 0.000 2.636 115 S HA 0.467 5.049 4.470 0.186 0.000 0.268 115 S C -1.310 173.336 174.600 0.077 0.000 1.159 115 S CA -1.124 57.143 58.200 0.111 0.000 0.815 115 S CB 2.191 65.450 63.200 0.099 0.000 1.130 115 S HN 0.062 nan 8.310 nan 0.000 0.471 116 D N 2.052 122.507 120.400 0.092 0.000 2.338 116 D HA 0.342 5.093 4.640 0.186 0.000 0.255 116 D C -1.069 175.263 176.300 0.052 0.000 1.237 116 D CA -2.156 51.900 54.000 0.095 0.000 0.883 116 D CB 1.236 42.129 40.800 0.154 0.000 1.087 116 D HN 0.263 nan 8.370 nan 0.000 0.485 117 P HA -0.093 nan 4.420 nan 0.000 0.228 117 P C 0.879 178.183 177.300 0.007 0.000 1.151 117 P CA 0.716 63.821 63.100 0.007 0.000 0.770 117 P CB 0.367 32.060 31.700 -0.011 0.000 0.786 118 T N -1.513 113.050 114.554 0.015 0.000 3.067 118 T HA 0.219 4.681 4.350 0.186 0.000 0.257 118 T C 1.557 176.244 174.700 -0.020 0.000 1.105 118 T CA 1.045 63.144 62.100 -0.001 0.000 1.104 118 T CB -0.437 68.432 68.868 0.002 0.000 0.925 118 T HN 0.271 nan 8.240 nan 0.000 0.498 119 G N 1.352 110.145 108.800 -0.012 0.000 2.179 119 G HA2 -0.359 3.713 3.960 0.186 0.000 0.260 119 G HA3 -0.359 3.713 3.960 0.186 0.000 0.260 119 G C 0.810 175.660 174.900 -0.083 0.000 0.977 119 G CA 0.838 45.922 45.100 -0.026 0.000 0.641 119 G HN 0.534 nan 8.290 nan 0.000 0.533 120 Q N -0.854 118.853 119.800 -0.155 0.000 2.124 120 Q HA 0.048 4.500 4.340 0.186 0.000 0.202 120 Q C 0.405 176.080 176.000 -0.541 0.000 0.977 120 Q CA 1.052 56.622 55.803 -0.389 0.000 0.850 120 Q CB -0.013 28.390 28.738 -0.558 0.000 0.901 120 Q HN 0.657 nan 8.270 nan 0.000 0.429 121 Y N 0.647 120.957 120.300 0.017 0.000 2.429 121 Y HA 0.458 5.120 4.550 0.186 0.000 0.342 121 Y C -2.045 173.867 175.900 0.021 0.000 1.004 121 Y CA -3.056 55.055 58.100 0.018 0.000 1.075 121 Y CB 1.318 39.789 38.460 0.019 0.000 1.214 121 Y HN 0.146 nan 8.280 nan 0.000 0.455 122 P HA 0.165 nan 4.420 nan 0.000 0.272 122 P C -0.117 177.257 177.300 0.123 0.000 1.230 122 P CA -0.240 62.979 63.100 0.198 0.000 0.788 122 P CB 1.311 33.081 31.700 0.118 0.000 0.949 123 R N 0.526 121.113 120.500 0.145 0.000 2.115 123 R HA 0.005 4.457 4.340 0.186 0.000 0.226 123 R C 1.193 177.511 176.300 0.030 0.000 1.100 123 R CA 1.046 57.176 56.100 0.050 0.000 0.980 123 R CB -0.093 30.253 30.300 0.078 0.000 0.875 123 R HN 0.626 nan 8.270 nan 0.000 0.445 124 R N -0.762 119.766 120.500 0.046 0.000 2.741 124 R HA 0.289 4.740 4.340 0.186 0.000 0.274 124 R C -1.265 175.055 176.300 0.034 0.000 1.029 124 R CA -0.852 55.265 56.100 0.030 0.000 0.880 124 R CB 0.704 31.017 30.300 0.021 0.000 1.264 124 R HN -0.138 nan 8.270 nan 0.000 0.465 125 L N 0.537 121.775 121.223 0.025 0.000 2.418 125 L HA 0.698 5.150 4.340 0.186 0.000 0.265 125 L C 0.761 177.644 176.870 0.022 0.000 1.143 125 L CA 0.692 55.547 54.840 0.025 0.000 0.809 125 L CB 1.086 43.157 42.059 0.019 0.000 1.124 125 L HN 1.094 nan 8.230 nan 0.000 0.456 126 G N 1.598 110.411 108.800 0.022 0.000 2.331 126 G HA2 -0.171 3.901 3.960 0.186 0.000 0.402 126 G HA3 -0.171 3.901 3.960 0.186 0.000 0.402 126 G C -1.312 173.600 174.900 0.019 0.000 1.275 126 G CA -0.805 44.305 45.100 0.017 0.000 1.003 126 G HN 0.713 nan 8.290 nan 0.000 0.500 127 N N -0.131 118.577 118.700 0.012 0.000 2.483 127 N HA 0.240 5.092 4.740 0.186 0.000 0.264 127 N C 0.600 176.125 175.510 0.025 0.000 1.197 127 N CA -0.186 52.872 53.050 0.014 0.000 0.927 127 N CB 0.574 39.059 38.487 -0.002 0.000 1.065 127 N HN 0.437 nan 8.380 nan 0.000 0.461 128 D N 0.827 121.247 120.400 0.032 0.000 2.312 128 D HA -0.089 4.662 4.640 0.186 0.000 0.211 128 D C 0.565 176.888 176.300 0.038 0.000 0.964 128 D CA 0.732 54.752 54.000 0.035 0.000 0.877 128 D CB -0.054 40.766 40.800 0.033 0.000 0.924 128 D HN 0.641 nan 8.370 nan 0.000 0.515 129 T N -0.586 113.996 114.554 0.046 0.000 2.907 129 T HA 0.031 4.493 4.350 0.186 0.000 0.298 129 T C 0.379 175.113 174.700 0.057 0.000 1.017 129 T CA -0.843 61.295 62.100 0.062 0.000 1.118 129 T CB 1.081 70.004 68.868 0.091 0.000 0.948 129 T HN -0.140 nan 8.240 nan 0.000 0.531 130 N N 1.844 120.580 118.700 0.061 0.000 2.407 130 N HA -0.059 4.793 4.740 0.186 0.000 0.250 130 N C 1.842 177.385 175.510 0.055 0.000 1.236 130 N CA 0.370 53.450 53.050 0.050 0.000 0.879 130 N CB 1.205 39.721 38.487 0.050 0.000 1.088 130 N HN 0.700 nan 8.380 nan 0.000 0.450 131 V N 2.933 122.863 119.914 0.027 0.000 2.490 131 V HA -0.202 4.030 4.120 0.186 0.000 0.250 131 V C 2.263 178.383 176.094 0.044 0.000 1.061 131 V CA 1.391 63.704 62.300 0.021 0.000 1.064 131 V CB -0.719 31.091 31.823 -0.022 0.000 0.670 131 V HN 0.600 nan 8.190 nan 0.000 0.461 132 L N 0.601 121.843 121.223 0.032 0.000 2.191 132 L HA -0.142 4.310 4.340 0.186 0.000 0.212 132 L C 2.516 179.521 176.870 0.225 0.000 1.103 132 L CA 2.196 57.102 54.840 0.110 0.000 0.769 132 L CB -0.771 41.339 42.059 0.084 0.000 0.908 132 L HN 0.464 nan 8.230 nan 0.000 0.438 133 N N -1.122 117.671 118.700 0.155 0.000 2.416 133 N HA -0.103 4.749 4.740 0.186 0.000 0.177 133 N C 1.657 177.306 175.510 0.231 0.000 1.036 133 N CA 0.158 53.303 53.050 0.159 0.000 0.901 133 N CB 0.201 38.772 38.487 0.140 0.000 0.976 133 N HN 0.406 nan 8.380 nan 0.000 0.444 134 Q N 0.334 120.254 119.800 0.199 0.000 2.311 134 Q HA 0.074 4.526 4.340 0.186 0.000 0.203 134 Q C 1.060 177.183 176.000 0.206 0.000 0.954 134 Q CA 0.477 56.386 55.803 0.177 0.000 0.885 134 Q CB 0.226 29.011 28.738 0.078 0.000 0.963 134 Q HN 0.329 nan 8.270 nan 0.000 0.471 135 G N 0.050 109.010 108.800 0.266 0.000 2.645 135 G HA2 -0.165 3.907 3.960 0.186 0.000 0.246 135 G HA3 -0.165 3.907 3.960 0.186 0.000 0.246 135 G C 0.403 175.454 174.900 0.252 0.000 1.322 135 G CA -0.310 44.975 45.100 0.308 0.000 0.898 135 G HN 0.821 nan 8.290 nan 0.000 0.573 136 G N -1.559 107.375 108.800 0.223 0.000 2.601 136 G HA2 -0.133 3.938 3.960 0.186 0.000 0.261 136 G HA3 -0.133 3.938 3.960 0.186 0.000 0.261 136 G C 0.825 175.838 174.900 0.188 0.000 1.289 136 G CA 1.242 46.437 45.100 0.158 0.000 0.920 136 G HN 1.550 nan 8.290 nan 0.000 0.571 137 E N -0.812 119.459 120.200 0.118 0.000 2.106 137 E HA -0.031 4.431 4.350 0.186 0.000 0.192 137 E C 2.776 179.455 176.600 0.131 0.000 0.984 137 E CA 1.199 57.682 56.400 0.137 0.000 0.806 137 E CB -0.148 29.597 29.700 0.075 0.000 0.750 137 E HN 0.341 nan 8.360 nan 0.000 0.458 138 V N 0.958 120.920 119.914 0.080 0.000 2.324 138 V HA -0.258 3.973 4.120 0.186 0.000 0.250 138 V C 2.279 178.367 176.094 -0.010 0.000 1.060 138 V CA 2.145 64.465 62.300 0.034 0.000 1.042 138 V CB -0.920 30.920 31.823 0.028 0.000 0.650 138 V HN 0.440 nan 8.190 nan 0.000 0.450 139 G N -1.973 106.843 108.800 0.027 0.000 2.394 139 G HA2 -0.307 3.764 3.960 0.186 0.000 0.214 139 G HA3 -0.307 3.764 3.960 0.186 0.000 0.214 139 G C 1.565 176.154 174.900 -0.519 0.000 1.176 139 G CA 0.891 45.895 45.100 -0.159 0.000 0.786 139 G HN 0.542 nan 8.290 nan 0.000 0.533 140 Y N 1.632 121.782 120.300 -0.250 0.000 2.241 140 Y HA -0.137 4.525 4.550 0.186 0.000 0.286 140 Y C 1.903 177.687 175.900 -0.193 0.000 1.166 140 Y CA 1.922 59.917 58.100 -0.175 0.000 1.203 140 Y CB 0.223 38.727 38.460 0.075 0.000 0.977 140 Y HN 0.184 nan 8.280 nan 0.000 0.529 141 D N -0.517 119.828 120.400 -0.092 0.000 2.349 141 D HA -0.024 4.728 4.640 0.186 0.000 0.215 141 D C 0.787 176.978 176.300 -0.181 0.000 1.016 141 D CA 0.441 54.373 54.000 -0.112 0.000 0.870 141 D CB -0.138 40.659 40.800 -0.005 0.000 0.917 141 D HN 0.141 nan 8.370 nan 0.000 0.524 142 S N 0.646 116.194 115.700 -0.255 0.000 2.571 142 S HA -0.078 4.504 4.470 0.186 0.000 0.298 142 S C 1.769 176.243 174.600 -0.209 0.000 1.280 142 S CA 0.275 58.337 58.200 -0.230 0.000 1.052 142 S CB 0.726 63.738 63.200 -0.313 0.000 0.799 142 S HN 0.266 nan 8.310 nan 0.000 0.501 143 S N 3.800 119.411 115.700 -0.148 0.000 2.419 143 S HA -0.105 4.476 4.470 0.186 0.000 0.235 143 S C 1.913 176.420 174.600 -0.153 0.000 1.019 143 S CA 1.387 59.509 58.200 -0.129 0.000 0.982 143 S CB -0.650 62.496 63.200 -0.090 0.000 0.789 143 S HN 0.668 nan 8.310 nan 0.000 0.490 144 S N 2.812 118.409 115.700 -0.171 0.000 2.382 144 S HA -0.053 4.528 4.470 0.186 0.000 0.228 144 S C 1.814 176.275 174.600 -0.233 0.000 1.027 144 S CA 1.249 59.337 58.200 -0.187 0.000 0.991 144 S CB -0.484 62.611 63.200 -0.174 0.000 0.823 144 S HN 0.631 nan 8.310 nan 0.000 0.469 145 N N 1.054 119.595 118.700 -0.265 0.000 2.250 145 N HA 0.018 4.870 4.740 0.186 0.000 0.181 145 N C 1.803 177.165 175.510 -0.247 0.000 1.017 145 N CA 0.799 53.675 53.050 -0.290 0.000 0.866 145 N CB -0.550 37.694 38.487 -0.406 0.000 0.985 145 N HN 0.219 nan 8.380 nan 0.000 0.429 146 V N 2.278 122.062 119.914 -0.216 0.000 2.261 146 V HA -0.174 4.058 4.120 0.186 0.000 0.246 146 V C 2.337 178.349 176.094 -0.138 0.000 1.047 146 V CA 1.319 63.523 62.300 -0.161 0.000 1.015 146 V CB -0.497 31.250 31.823 -0.126 0.000 0.642 146 V HN 0.196 nan 8.190 nan 0.000 0.446 147 I N -0.281 120.206 120.570 -0.139 0.000 2.361 147 I HA -0.293 3.989 4.170 0.186 0.000 0.251 147 I C 2.667 178.697 176.117 -0.144 0.000 1.133 147 I CA 1.728 62.954 61.300 -0.124 0.000 1.413 147 I CB -0.395 37.536 38.000 -0.114 0.000 1.073 147 I HN 0.436 nan 8.210 nan 0.000 0.424 148 Q N 1.025 120.701 119.800 -0.206 0.000 2.016 148 Q HA -0.239 4.213 4.340 0.186 0.000 0.200 148 Q C 1.469 177.385 176.000 -0.141 0.000 0.978 148 Q CA 1.828 57.475 55.803 -0.259 0.000 0.833 148 Q CB 0.070 28.555 28.738 -0.422 0.000 0.895 148 Q HN 0.407 nan 8.270 nan 0.000 0.427 149 D N 0.059 120.382 120.400 -0.129 0.000 2.350 149 D HA -0.075 4.676 4.640 0.186 0.000 0.216 149 D C 0.956 177.223 176.300 -0.056 0.000 0.968 149 D CA 1.066 55.020 54.000 -0.078 0.000 0.894 149 D CB 0.107 40.853 40.800 -0.090 0.000 0.909 149 D HN 0.249 nan 8.370 nan 0.000 0.520 150 S N -1.113 114.546 115.700 -0.067 0.000 2.601 150 S HA 0.233 4.814 4.470 0.186 0.000 0.244 150 S C 0.776 175.344 174.600 -0.052 0.000 1.001 150 S CA -0.622 57.544 58.200 -0.057 0.000 0.984 150 S CB 0.267 63.426 63.200 -0.067 0.000 0.842 150 S HN 0.000 nan 8.310 nan 0.000 0.474 151 N N 0.777 119.455 118.700 -0.037 0.000 2.167 151 N HA 0.231 5.082 4.740 0.186 0.000 0.234 151 N C -1.096 174.422 175.510 0.012 0.000 1.312 151 N CA -0.146 52.891 53.050 -0.021 0.000 0.861 151 N CB 0.625 39.097 38.487 -0.025 0.000 1.217 151 N HN 0.240 nan 8.380 nan 0.000 0.504 152 L N 2.108 123.341 121.223 0.016 0.000 2.513 152 L HA 0.109 4.560 4.340 0.186 0.000 0.272 152 L C 0.410 177.290 176.870 0.017 0.000 1.187 152 L CA 0.445 55.308 54.840 0.039 0.000 0.895 152 L CB -0.357 41.724 42.059 0.037 0.000 1.147 152 L HN -0.017 nan 8.230 nan 0.000 0.483 153 D N 1.189 121.601 120.400 0.020 0.000 2.312 153 D HA 0.488 5.239 4.640 0.186 0.000 0.248 153 D C -0.182 176.080 176.300 -0.064 0.000 1.086 153 D CA 0.047 54.032 54.000 -0.025 0.000 0.948 153 D CB 0.939 41.725 40.800 -0.023 0.000 1.162 153 D HN 0.483 nan 8.370 nan 0.000 0.446 154 T N 0.838 115.312 114.554 -0.134 0.000 2.812 154 T HA 0.661 5.123 4.350 0.186 0.000 0.282 154 T C -0.527 173.966 174.700 -0.345 0.000 0.990 154 T CA -0.704 61.271 62.100 -0.209 0.000 0.960 154 T CB 1.424 70.211 68.868 -0.136 0.000 0.948 154 T HN 0.385 nan 8.240 nan 0.000 0.438 155 A N 3.568 126.010 122.820 -0.629 0.000 2.304 155 A HA 0.866 5.298 4.320 0.186 0.000 0.301 155 A C 0.061 177.382 177.584 -0.438 0.000 1.132 155 A CA -0.866 50.736 52.037 -0.725 0.000 0.819 155 A CB 0.164 18.160 19.000 -1.674 0.000 1.094 155 A HN 0.967 nan 8.150 nan 0.000 0.492 156 I N -0.330 120.078 120.570 -0.270 0.000 2.474 156 I HA 0.529 4.811 4.170 0.186 0.000 0.294 156 I C -0.506 175.552 176.117 -0.099 0.000 1.005 156 I CA -0.910 60.294 61.300 -0.159 0.000 1.113 156 I CB 1.987 39.914 38.000 -0.121 0.000 1.289 156 I HN 0.519 nan 8.210 nan 0.000 0.436 157 N N 8.038 126.698 118.700 -0.067 0.000 2.401 157 N HA 0.346 5.198 4.740 0.186 0.000 0.255 157 N C -2.363 173.121 175.510 -0.044 0.000 1.110 157 N CA -1.877 51.151 53.050 -0.036 0.000 0.949 157 N CB 0.646 39.119 38.487 -0.023 0.000 1.110 157 N HN 0.466 nan 8.380 nan 0.000 0.490 158 P HA -0.033 nan 4.420 nan 0.000 0.264 158 P C -0.846 176.401 177.300 -0.089 0.000 1.179 158 P CA 0.180 63.251 63.100 -0.050 0.000 0.763 158 P CB 0.579 32.261 31.700 -0.029 0.000 0.806 159 D N 1.640 121.980 120.400 -0.099 0.000 2.280 159 D HA 0.132 4.884 4.640 0.186 0.000 0.236 159 D C 0.346 176.499 176.300 -0.245 0.000 1.082 159 D CA -0.423 53.493 54.000 -0.139 0.000 0.834 159 D CB 0.463 41.207 40.800 -0.093 0.000 1.100 159 D HN 0.234 nan 8.370 nan 0.000 0.486 160 D N 2.441 122.603 120.400 -0.396 0.000 2.368 160 D HA 0.047 4.799 4.640 0.186 0.000 0.218 160 D C 0.192 176.159 176.300 -0.555 0.000 1.112 160 D CA -0.370 53.117 54.000 -0.854 0.000 0.834 160 D CB -0.080 40.012 40.800 -1.180 0.000 0.953 160 D HN 0.187 nan 8.370 nan 0.000 0.505 161 R N 1.660 122.011 120.500 -0.249 0.000 2.679 161 R HA 0.221 4.672 4.340 0.186 0.000 0.268 161 R C -2.066 174.219 176.300 -0.025 0.000 1.044 161 R CA -1.048 54.985 56.100 -0.112 0.000 1.105 161 R CB 0.120 30.375 30.300 -0.074 0.000 0.989 161 R HN 0.172 nan 8.270 nan 0.000 0.447 162 P HA -0.021 nan 4.420 nan 0.000 0.272 162 P C 0.787 178.114 177.300 0.045 0.000 1.223 162 P CA -0.073 63.083 63.100 0.093 0.000 0.784 162 P CB 0.636 32.387 31.700 0.085 0.000 0.923 163 L N 1.683 122.933 121.223 0.046 0.000 2.064 163 L HA -0.262 4.190 4.340 0.186 0.000 0.216 163 L C 2.392 179.273 176.870 0.018 0.000 1.077 163 L CA 2.659 57.508 54.840 0.016 0.000 0.766 163 L CB -1.287 40.778 42.059 0.011 0.000 0.890 163 L HN 0.500 nan 8.230 nan 0.000 0.435 164 S N -1.200 114.517 115.700 0.028 0.000 2.595 164 S HA -0.112 4.469 4.470 0.186 0.000 0.235 164 S C 1.131 175.741 174.600 0.018 0.000 0.974 164 S CA 0.779 58.996 58.200 0.029 0.000 0.942 164 S CB -0.245 62.973 63.200 0.030 0.000 0.766 164 S HN 0.584 nan 8.310 nan 0.000 0.536 165 E N 0.110 120.316 120.200 0.009 0.000 2.676 165 E HA 0.333 4.795 4.350 0.186 0.000 0.222 165 E C -0.589 176.003 176.600 -0.013 0.000 0.968 165 E CA -0.218 56.182 56.400 -0.001 0.000 1.090 165 E CB 0.576 30.276 29.700 -0.001 0.000 1.066 165 E HN 0.553 nan 8.360 nan 0.000 0.496 166 I N 3.484 124.043 120.570 -0.018 0.000 2.301 166 I HA 0.192 4.474 4.170 0.186 0.000 0.292 166 I C -2.245 173.851 176.117 -0.035 0.000 1.046 166 I CA -2.072 59.208 61.300 -0.033 0.000 1.282 166 I CB 0.457 38.431 38.000 -0.043 0.000 1.409 166 I HN -0.270 nan 8.210 nan 0.000 0.484 167 P HA 0.048 nan 4.420 nan 0.000 0.268 167 P C -0.257 177.012 177.300 -0.052 0.000 1.204 167 P CA -0.185 62.894 63.100 -0.035 0.000 0.768 167 P CB 0.380 32.062 31.700 -0.031 0.000 0.842 168 T N -1.004 113.516 114.554 -0.056 0.000 2.889 168 T HA 0.280 4.742 4.350 0.186 0.000 0.291 168 T C -0.234 174.424 174.700 -0.069 0.000 0.995 168 T CA -0.725 61.325 62.100 -0.083 0.000 1.092 168 T CB 0.709 69.523 68.868 -0.089 0.000 0.954 168 T HN 0.178 nan 8.240 nan 0.000 0.506 169 D N 1.250 121.602 120.400 -0.080 0.000 2.454 169 D HA 0.237 4.989 4.640 0.186 0.000 0.225 169 D C 0.377 176.632 176.300 -0.074 0.000 1.081 169 D CA -0.653 53.308 54.000 -0.065 0.000 0.864 169 D CB 0.888 41.653 40.800 -0.059 0.000 1.040 169 D HN 0.498 nan 8.370 nan 0.000 0.517 170 D N 2.176 122.538 120.400 -0.063 0.000 2.234 170 D HA -0.111 4.641 4.640 0.186 0.000 0.205 170 D C 0.321 176.584 176.300 -0.062 0.000 0.962 170 D CA 0.535 54.494 54.000 -0.067 0.000 0.855 170 D CB 0.321 41.089 40.800 -0.053 0.000 0.951 170 D HN 0.269 nan 8.370 nan 0.000 0.500 171 N N 1.001 119.671 118.700 -0.050 0.000 2.976 171 N HA 0.198 5.050 4.740 0.186 0.000 0.255 171 N C -2.796 172.689 175.510 -0.041 0.000 1.312 171 N CA -1.651 51.374 53.050 -0.042 0.000 0.897 171 N CB 0.921 39.389 38.487 -0.031 0.000 1.184 171 N HN -0.243 nan 8.380 nan 0.000 0.497 172 P HA -0.013 nan 4.420 nan 0.000 0.264 172 P C -0.241 177.036 177.300 -0.038 0.000 1.183 172 P CA 0.285 63.354 63.100 -0.051 0.000 0.763 172 P CB 0.392 32.051 31.700 -0.068 0.000 0.807 173 N N 2.831 121.512 118.700 -0.032 0.000 2.623 173 N HA 0.181 5.032 4.740 0.186 0.000 0.263 173 N C -0.437 175.060 175.510 -0.022 0.000 1.218 173 N CA -0.106 52.931 53.050 -0.022 0.000 0.949 173 N CB -0.230 38.249 38.487 -0.014 0.000 1.270 173 N HN 0.341 nan 8.380 nan 0.000 0.507 174 M N 1.020 120.600 119.600 -0.034 0.000 2.325 174 M HA 0.166 4.758 4.480 0.186 0.000 0.285 174 M C -1.276 174.998 176.300 -0.044 0.000 1.119 174 M CA -0.571 54.705 55.300 -0.040 0.000 0.959 174 M CB 1.820 34.382 32.600 -0.063 0.000 1.737 174 M HN 0.036 nan 8.290 nan 0.000 0.486 175 S N 3.454 119.138 115.700 -0.026 0.000 2.610 175 S HA 0.348 4.930 4.470 0.186 0.000 0.273 175 S C 0.692 175.279 174.600 -0.021 0.000 1.274 175 S CA -0.723 57.468 58.200 -0.015 0.000 1.023 175 S CB 1.528 64.731 63.200 0.005 0.000 0.962 175 S HN 0.929 nan 8.310 nan 0.000 0.523 176 M N 2.554 122.147 119.600 -0.013 0.000 2.149 176 M HA -0.023 4.568 4.480 0.186 0.000 0.261 176 M C 2.092 178.401 176.300 0.016 0.000 1.064 176 M CA 2.030 57.322 55.300 -0.015 0.000 1.102 176 M CB -1.514 31.091 32.600 0.009 0.000 1.369 176 M HN 0.984 nan 8.290 nan 0.000 0.408 177 A N -0.329 122.521 122.820 0.049 0.000 1.865 177 A HA -0.243 4.188 4.320 0.186 0.000 0.217 177 A C 2.032 179.715 177.584 0.165 0.000 1.191 177 A CA 2.208 54.347 52.037 0.170 0.000 0.623 177 A CB -0.934 18.147 19.000 0.134 0.000 0.826 177 A HN 0.663 nan 8.150 nan 0.000 0.444 178 E N -0.982 119.255 120.200 0.062 0.000 2.051 178 E HA -0.211 4.250 4.350 0.186 0.000 0.192 178 E C 2.113 178.707 176.600 -0.011 0.000 0.991 178 E CA 1.318 57.729 56.400 0.019 0.000 0.799 178 E CB -0.326 29.378 29.700 0.007 0.000 0.748 178 E HN 0.721 nan 8.360 nan 0.000 0.449 179 M N 0.955 120.529 119.600 -0.045 0.000 2.073 179 M HA -0.229 4.362 4.480 0.186 0.000 0.258 179 M C 1.963 178.235 176.300 -0.046 0.000 1.070 179 M CA 1.525 56.769 55.300 -0.094 0.000 1.103 179 M CB -0.032 32.438 32.600 -0.217 0.000 1.321 179 M HN 0.105 nan 8.290 nan 0.000 0.405 180 L N 0.253 121.427 121.223 -0.082 0.000 2.079 180 L HA -0.197 4.255 4.340 0.186 0.000 0.210 180 L C 2.531 179.272 176.870 -0.216 0.000 1.081 180 L CA 1.799 56.523 54.840 -0.194 0.000 0.752 180 L CB -1.608 40.268 42.059 -0.305 0.000 0.896 180 L HN 0.450 nan 8.230 nan 0.000 0.433 181 R N -0.839 119.544 120.500 -0.195 0.000 2.096 181 R HA -0.164 4.288 4.340 0.186 0.000 0.235 181 R C 2.368 178.600 176.300 -0.113 0.000 1.127 181 R CA 1.075 57.035 56.100 -0.235 0.000 0.968 181 R CB -0.176 30.020 30.300 -0.174 0.000 0.861 181 R HN 0.317 nan 8.270 nan 0.000 0.440 182 R N 0.895 121.375 120.500 -0.033 0.000 2.062 182 R HA -0.129 4.322 4.340 0.186 0.000 0.231 182 R C 1.175 177.487 176.300 0.020 0.000 1.136 182 R CA 2.009 58.118 56.100 0.016 0.000 0.948 182 R CB -0.122 30.235 30.300 0.096 0.000 0.845 182 R HN 0.091 nan 8.270 nan 0.000 0.430 183 D N 0.125 120.561 120.400 0.060 0.000 2.178 183 D HA -0.125 4.627 4.640 0.186 0.000 0.202 183 D C 1.446 177.768 176.300 0.037 0.000 0.974 183 D CA 1.241 55.280 54.000 0.064 0.000 0.841 183 D CB 0.031 40.909 40.800 0.131 0.000 0.953 183 D HN 0.306 nan 8.370 nan 0.000 0.478 184 E N -0.737 119.461 120.200 -0.002 0.000 2.431 184 E HA 0.285 4.747 4.350 0.186 0.000 0.200 184 E C 1.105 177.704 176.600 -0.002 0.000 0.995 184 E CA 0.456 56.873 56.400 0.029 0.000 0.915 184 E CB 0.567 30.292 29.700 0.042 0.000 0.930 184 E HN 0.214 nan 8.360 nan 0.000 0.496 185 G N 0.652 109.418 108.800 -0.056 0.000 2.552 185 G HA2 -0.274 3.798 3.960 0.186 0.000 0.265 185 G HA3 -0.274 3.798 3.960 0.186 0.000 0.265 185 G C -0.781 174.071 174.900 -0.079 0.000 1.234 185 G CA 0.031 45.092 45.100 -0.065 0.000 0.944 185 G HN 0.392 nan 8.290 nan 0.000 0.568 186 L N -0.378 120.809 121.223 -0.059 0.000 2.614 186 L HA 0.799 5.251 4.340 0.186 0.000 0.264 186 L C -1.018 175.834 176.870 -0.030 0.000 0.940 186 L CA -0.681 54.133 54.840 -0.044 0.000 0.903 186 L CB 1.910 43.927 42.059 -0.070 0.000 1.306 186 L HN 0.804 nan 8.230 nan 0.000 0.410 187 R N 5.883 126.402 120.500 0.032 0.000 2.514 187 R HA 0.476 4.928 4.340 0.186 0.000 0.296 187 R C -0.117 176.235 176.300 0.087 0.000 1.012 187 R CA -0.570 55.549 56.100 0.032 0.000 0.897 187 R CB 1.740 32.027 30.300 -0.022 0.000 1.184 187 R HN 0.801 nan 8.270 nan 0.000 0.440 188 L N 1.476 122.720 121.223 0.035 0.000 2.645 188 L HA 0.199 4.651 4.340 0.186 0.000 0.235 188 L C 0.299 177.192 176.870 0.039 0.000 1.150 188 L CA 0.779 55.637 54.840 0.030 0.000 0.911 188 L CB -0.151 41.908 42.059 0.000 0.000 1.077 188 L HN 0.218 nan 8.230 nan 0.000 0.438 189 K N -0.165 120.281 120.400 0.076 0.000 2.422 189 K HA 0.416 4.848 4.320 0.186 0.000 0.251 189 K C -0.671 175.984 176.600 0.093 0.000 0.933 189 K CA -0.825 55.501 56.287 0.066 0.000 0.798 189 K CB 3.337 35.873 32.500 0.060 0.000 1.238 189 K HN -0.290 nan 8.250 nan 0.000 0.428 190 V N 3.651 123.544 119.914 -0.036 0.000 2.617 190 V HA -0.031 4.201 4.120 0.186 0.000 0.304 190 V C -0.455 175.444 176.094 -0.325 0.000 1.040 190 V CA 0.576 62.720 62.300 -0.261 0.000 1.149 190 V CB -1.013 30.621 31.823 -0.315 0.000 0.914 190 V HN 0.713 nan 8.190 nan 0.000 0.487 191 Y N 2.626 122.550 120.300 -0.628 0.000 2.625 191 Y HA 0.720 5.382 4.550 0.186 0.000 0.338 191 Y C -1.191 174.328 175.900 -0.635 0.000 1.123 191 Y CA -2.010 55.801 58.100 -0.481 0.000 1.046 191 Y CB 1.258 39.685 38.460 -0.056 0.000 1.299 191 Y HN 0.469 nan 8.280 nan 0.000 0.464 192 W N 2.794 124.220 121.300 0.209 0.000 2.551 192 W HA 0.287 5.059 4.660 0.186 0.000 0.330 192 W C -0.767 175.856 176.519 0.173 0.000 1.063 192 W CA -0.526 56.877 57.345 0.097 0.000 1.222 192 W CB 2.161 31.666 29.460 0.074 0.000 1.349 192 W HN 0.762 nan 8.180 nan 0.000 0.536 193 D N -0.968 119.569 120.400 0.228 0.000 2.478 193 D HA 0.045 4.796 4.640 0.186 0.000 0.269 193 D C 1.477 177.840 176.300 0.105 0.000 1.232 193 D CA -0.100 54.008 54.000 0.181 0.000 1.059 193 D CB -0.264 40.597 40.800 0.103 0.000 1.104 193 D HN 0.334 nan 8.370 nan 0.000 0.566 194 T N -2.694 111.894 114.554 0.057 0.000 2.737 194 T HA -0.250 4.212 4.350 0.186 0.000 0.269 194 T C 1.573 176.234 174.700 -0.065 0.000 1.040 194 T CA 1.698 63.803 62.100 0.010 0.000 1.142 194 T CB -0.424 68.446 68.868 0.004 0.000 0.861 194 T HN 0.394 nan 8.240 nan 0.000 0.456 195 E N 1.754 121.848 120.200 -0.176 0.000 2.077 195 E HA 0.161 4.623 4.350 0.186 0.000 0.193 195 E C 1.691 178.026 176.600 -0.441 0.000 0.989 195 E CA 1.439 57.584 56.400 -0.425 0.000 0.800 195 E CB -0.693 28.464 29.700 -0.905 0.000 0.746 195 E HN 0.803 nan 8.360 nan 0.000 0.452 196 G N -1.787 106.848 108.800 -0.274 0.000 2.151 196 G HA2 -0.177 3.895 3.960 0.186 0.000 0.140 196 G HA3 -0.177 3.895 3.960 0.186 0.000 0.140 196 G C -0.691 174.367 174.900 0.264 0.000 1.020 196 G CA -0.128 44.974 45.100 0.004 0.000 0.688 196 G HN 0.068 nan 8.290 nan 0.000 0.500 197 Y N 0.885 121.311 120.300 0.210 0.000 2.334 197 Y HA 0.557 5.219 4.550 0.186 0.000 0.328 197 Y C -1.799 174.065 175.900 -0.061 0.000 1.130 197 Y CA -3.684 54.491 58.100 0.125 0.000 1.163 197 Y CB 0.913 39.380 38.460 0.011 0.000 1.207 197 Y HN -0.035 nan 8.280 nan 0.000 0.471 198 P HA 0.102 nan 4.420 nan 0.000 0.271 198 P C -0.554 176.439 177.300 -0.512 0.000 1.220 198 P CA 0.157 62.881 63.100 -0.627 0.000 0.768 198 P CB 0.981 32.458 31.700 -0.373 0.000 0.848 199 T N 3.808 117.889 114.554 -0.789 0.000 2.901 199 T HA 0.744 5.205 4.350 0.186 0.000 0.293 199 T C -0.178 174.013 174.700 -0.848 0.000 1.084 199 T CA -0.480 61.166 62.100 -0.757 0.000 1.008 199 T CB 1.649 69.995 68.868 -0.870 0.000 1.170 199 T HN 0.436 nan 8.240 nan 0.000 0.509 200 I N -0.943 119.384 120.570 -0.404 0.000 3.244 200 I HA 0.526 4.807 4.170 0.186 0.000 0.314 200 I C 0.470 176.653 176.117 0.110 0.000 1.342 200 I CA 0.125 61.364 61.300 -0.102 0.000 0.925 200 I CB 1.358 39.326 38.000 -0.053 0.000 1.321 200 I HN 0.919 nan 8.210 nan 0.000 0.500 201 G N 2.450 111.329 108.800 0.131 0.000 2.582 201 G HA2 -0.287 3.785 3.960 0.186 0.000 0.288 201 G HA3 -0.287 3.785 3.960 0.186 0.000 0.288 201 G C 0.153 175.116 174.900 0.106 0.000 1.247 201 G CA 0.316 45.480 45.100 0.106 0.000 0.972 201 G HN 0.744 nan 8.290 nan 0.000 0.557 202 I N 2.963 123.560 120.570 0.045 0.000 2.967 202 I HA 0.349 4.631 4.170 0.186 0.000 0.284 202 I C 1.601 177.752 176.117 0.056 0.000 1.145 202 I CA 0.940 62.180 61.300 -0.101 0.000 1.704 202 I CB -1.205 36.482 38.000 -0.522 0.000 1.385 202 I HN 1.637 nan 8.210 nan 0.000 0.673 203 G N 2.513 111.427 108.800 0.191 0.000 2.368 203 G HA2 -0.301 3.770 3.960 0.186 0.000 0.290 203 G HA3 -0.301 3.770 3.960 0.186 0.000 0.290 203 G C -0.140 174.961 174.900 0.335 0.000 1.098 203 G CA -0.102 45.162 45.100 0.273 0.000 1.073 203 G HN 0.791 nan 8.290 nan 0.000 0.511 204 H N 0.201 119.343 119.070 0.119 0.000 2.551 204 H HA 0.624 5.292 4.556 0.186 0.000 0.321 204 H C 0.146 175.444 175.328 -0.052 0.000 1.028 204 H CA -1.232 54.851 56.048 0.059 0.000 1.215 204 H CB 1.124 30.927 29.762 0.067 0.000 1.414 204 H HN 0.447 nan 8.280 nan 0.000 0.480 205 L N 6.281 127.169 121.223 -0.559 0.000 2.410 205 L HA 0.168 4.620 4.340 0.186 0.000 0.273 205 L C 0.151 176.570 176.870 -0.752 0.000 1.144 205 L CA 0.450 54.995 54.840 -0.493 0.000 0.863 205 L CB -0.002 41.897 42.059 -0.267 0.000 1.140 205 L HN 0.920 nan 8.230 nan 0.000 0.463 206 I N 4.441 124.730 120.570 -0.469 0.000 2.339 206 I HA -0.022 4.259 4.170 0.186 0.000 0.245 206 I C 0.620 176.617 176.117 -0.200 0.000 1.096 206 I CA 0.796 61.921 61.300 -0.291 0.000 1.408 206 I CB -0.116 37.783 38.000 -0.168 0.000 1.092 206 I HN 0.691 nan 8.210 nan 0.000 0.423 207 M N -0.779 118.703 119.600 -0.197 0.000 2.274 207 M HA 0.350 4.942 4.480 0.186 0.000 0.272 207 M C -0.628 175.496 176.300 -0.294 0.000 1.053 207 M CA -0.680 54.508 55.300 -0.185 0.000 0.978 207 M CB 1.802 34.334 32.600 -0.112 0.000 1.836 207 M HN -0.249 nan 8.290 nan 0.000 0.484 208 K N 2.390 122.550 120.400 -0.401 0.000 2.652 208 K HA 0.172 4.603 4.320 0.186 0.000 0.239 208 K C -0.960 175.144 176.600 -0.827 0.000 1.235 208 K CA 0.543 56.343 56.287 -0.812 0.000 1.191 208 K CB 0.083 32.264 32.500 -0.532 0.000 1.348 208 K HN 0.697 nan 8.250 nan 0.000 0.239 209 Q N 0.809 120.240 119.800 -0.615 0.000 2.386 209 Q HA 0.229 4.680 4.340 0.186 0.000 0.274 209 Q C -2.635 173.479 176.000 0.190 0.000 1.011 209 Q CA -1.750 53.959 55.803 -0.156 0.000 0.867 209 Q CB 2.058 30.753 28.738 -0.071 0.000 1.409 209 Q HN 0.053 nan 8.270 nan 0.000 0.395 210 P HA 0.048 nan 4.420 nan 0.000 0.231 210 P C -0.753 176.673 177.300 0.209 0.000 1.756 210 P CA 0.171 63.461 63.100 0.318 0.000 0.990 210 P CB -0.134 31.696 31.700 0.216 0.000 1.973 211 V N 2.959 123.018 119.914 0.242 0.000 2.406 211 V HA 0.257 4.489 4.120 0.186 0.000 0.272 211 V C 1.689 177.971 176.094 0.313 0.000 1.043 211 V CA -0.072 62.347 62.300 0.198 0.000 0.915 211 V CB 1.370 33.282 31.823 0.149 0.000 0.988 211 V HN 0.155 nan 8.190 nan 0.000 0.466 212 R N 2.238 122.836 120.500 0.163 0.000 2.225 212 R HA 0.133 4.584 4.340 0.186 0.000 0.194 212 R C 0.617 177.016 176.300 0.164 0.000 0.957 212 R CA 0.003 56.161 56.100 0.098 0.000 1.042 212 R CB 0.026 30.209 30.300 -0.196 0.000 1.004 212 R HN 0.850 nan 8.270 nan 0.000 0.509 213 D N 0.160 120.630 120.400 0.117 0.000 2.426 213 D HA -0.107 4.644 4.640 0.186 0.000 0.261 213 D C 1.029 177.414 176.300 0.142 0.000 1.245 213 D CA 0.114 54.174 54.000 0.101 0.000 0.917 213 D CB 0.703 41.544 40.800 0.068 0.000 1.123 213 D HN -0.039 nan 8.370 nan 0.000 0.508 214 M N 4.599 124.289 119.600 0.151 0.000 2.460 214 M HA 0.007 4.599 4.480 0.186 0.000 0.263 214 M C 1.597 177.950 176.300 0.088 0.000 1.071 214 M CA 1.354 56.743 55.300 0.149 0.000 1.096 214 M CB -0.476 32.214 32.600 0.150 0.000 1.408 214 M HN 0.533 nan 8.290 nan 0.000 0.463 215 A N -0.299 122.563 122.820 0.069 0.000 1.855 215 A HA -0.223 4.209 4.320 0.186 0.000 0.215 215 A C 2.031 179.639 177.584 0.039 0.000 1.191 215 A CA 1.849 53.914 52.037 0.046 0.000 0.613 215 A CB -0.734 18.288 19.000 0.038 0.000 0.829 215 A HN 0.646 nan 8.150 nan 0.000 0.442 216 Q N -0.308 119.518 119.800 0.044 0.000 2.084 216 Q HA -0.124 4.327 4.340 0.186 0.000 0.202 216 Q C 2.059 178.078 176.000 0.032 0.000 0.978 216 Q CA 1.600 57.424 55.803 0.035 0.000 0.844 216 Q CB -0.442 28.319 28.738 0.039 0.000 0.898 216 Q HN 0.751 nan 8.270 nan 0.000 0.426 217 I N 1.272 121.871 120.570 0.048 0.000 2.127 217 I HA -0.314 3.967 4.170 0.186 0.000 0.241 217 I C 1.903 178.026 176.117 0.011 0.000 1.075 217 I CA 1.022 62.341 61.300 0.030 0.000 1.334 217 I CB -0.549 37.481 38.000 0.050 0.000 1.040 217 I HN 0.250 nan 8.210 nan 0.000 0.405 218 N N 1.061 119.773 118.700 0.019 0.000 2.149 218 N HA -0.216 4.636 4.740 0.186 0.000 0.188 218 N C 1.762 177.276 175.510 0.007 0.000 1.019 218 N CA 1.217 54.273 53.050 0.010 0.000 0.857 218 N CB -0.355 38.141 38.487 0.014 0.000 0.997 218 N HN 0.395 nan 8.380 nan 0.000 0.426 219 K N 1.072 121.478 120.400 0.010 0.000 1.987 219 K HA -0.126 4.305 4.320 0.186 0.000 0.216 219 K C 1.879 178.480 176.600 0.003 0.000 1.051 219 K CA 1.498 57.789 56.287 0.006 0.000 0.942 219 K CB -0.083 32.422 32.500 0.008 0.000 0.722 219 K HN -0.085 nan 8.250 nan 0.000 0.444 220 V N 1.969 121.885 119.914 0.003 0.000 2.407 220 V HA -0.242 3.990 4.120 0.186 0.000 0.248 220 V C 2.325 178.424 176.094 0.008 0.000 1.055 220 V CA 1.328 63.628 62.300 0.000 0.000 1.049 220 V CB -0.494 31.325 31.823 -0.007 0.000 0.662 220 V HN 0.448 nan 8.190 nan 0.000 0.455 221 L N 0.205 121.433 121.223 0.009 0.000 2.093 221 L HA -0.096 4.355 4.340 0.186 0.000 0.208 221 L C 2.428 179.301 176.870 0.006 0.000 1.085 221 L CA 1.983 56.834 54.840 0.018 0.000 0.755 221 L CB -0.856 41.207 42.059 0.008 0.000 0.904 221 L HN 0.394 nan 8.230 nan 0.000 0.435 222 S N -0.015 115.685 115.700 -0.000 0.000 2.419 222 S HA -0.186 4.395 4.470 0.186 0.000 0.235 222 S C 1.805 176.401 174.600 -0.007 0.000 1.019 222 S CA 1.246 59.443 58.200 -0.006 0.000 0.982 222 S CB 0.016 63.213 63.200 -0.005 0.000 0.789 222 S HN 0.470 nan 8.310 nan 0.000 0.490 223 K N 1.131 121.529 120.400 -0.004 0.000 1.980 223 K HA -0.049 4.382 4.320 0.186 0.000 0.208 223 K C 2.454 179.049 176.600 -0.009 0.000 1.043 223 K CA 1.197 57.481 56.287 -0.006 0.000 0.938 223 K CB -0.272 32.226 32.500 -0.004 0.000 0.724 223 K HN 0.369 nan 8.250 nan 0.000 0.438 224 Q N 0.425 120.225 119.800 -0.001 0.000 2.152 224 Q HA -0.173 4.278 4.340 0.186 0.000 0.206 224 Q C 2.111 178.085 176.000 -0.044 0.000 0.985 224 Q CA 1.627 57.424 55.803 -0.009 0.000 0.863 224 Q CB -0.260 28.500 28.738 0.037 0.000 0.904 224 Q HN 0.169 nan 8.270 nan 0.000 0.422 225 V N -0.218 119.672 119.914 -0.040 0.000 3.354 225 V HA 0.211 4.443 4.120 0.186 0.000 0.258 225 V C 0.775 176.849 176.094 -0.032 0.000 1.159 225 V CA 1.120 63.390 62.300 -0.049 0.000 1.125 225 V CB -0.124 31.672 31.823 -0.045 0.000 0.774 225 V HN 0.568 nan 8.190 nan 0.000 0.464 226 G N 1.507 110.293 108.800 -0.024 0.000 2.368 226 G HA2 -0.249 3.823 3.960 0.186 0.000 0.290 226 G HA3 -0.249 3.823 3.960 0.186 0.000 0.290 226 G C 0.011 174.901 174.900 -0.017 0.000 1.098 226 G CA 0.725 45.814 45.100 -0.019 0.000 1.073 226 G HN 0.843 nan 8.290 nan 0.000 0.511 227 R N -0.620 119.871 120.500 -0.015 0.000 2.833 227 R HA 0.267 4.718 4.340 0.186 0.000 0.259 227 R C -1.054 175.239 176.300 -0.013 0.000 1.047 227 R CA -0.696 55.395 56.100 -0.014 0.000 0.916 227 R CB 0.715 31.005 30.300 -0.016 0.000 1.259 227 R HN 0.312 nan 8.270 nan 0.000 0.482 228 E N 4.728 124.921 120.200 -0.012 0.000 2.217 228 E HA 0.112 4.574 4.350 0.186 0.000 0.279 228 E C -0.072 176.520 176.600 -0.013 0.000 1.068 228 E CA -0.373 56.020 56.400 -0.011 0.000 0.882 228 E CB 0.511 30.204 29.700 -0.011 0.000 1.039 228 E HN 0.244 nan 8.360 nan 0.000 0.418 229 I N 4.525 125.089 120.570 -0.010 0.000 2.472 229 I HA 0.139 4.421 4.170 0.186 0.000 0.290 229 I C 0.951 177.062 176.117 -0.010 0.000 1.016 229 I CA -0.004 61.290 61.300 -0.011 0.000 1.348 229 I CB 0.871 38.867 38.000 -0.007 0.000 1.417 229 I HN 0.647 nan 8.210 nan 0.000 0.521 230 T N 0.979 115.524 114.554 -0.014 0.000 2.645 230 T HA 0.802 5.263 4.350 0.186 0.000 0.273 230 T C 0.108 174.800 174.700 -0.012 0.000 0.960 230 T CA -0.394 61.696 62.100 -0.016 0.000 1.051 230 T CB 1.278 70.126 68.868 -0.033 0.000 1.366 230 T HN 1.148 nan 8.240 nan 0.000 0.536 231 G N 0.709 109.499 108.800 -0.016 0.000 2.801 231 G HA2 -0.205 3.866 3.960 0.186 0.000 0.686 231 G HA3 -0.205 3.866 3.960 0.186 0.000 0.686 231 G C 0.321 175.236 174.900 0.024 0.000 1.507 231 G CA 0.146 45.244 45.100 -0.004 0.000 0.980 231 G HN 1.012 nan 8.290 nan 0.000 0.589 232 N N 1.487 120.213 118.700 0.043 0.000 2.038 232 N HA -0.016 4.836 4.740 0.186 0.000 0.192 232 N C -1.214 174.347 175.510 0.086 0.000 1.080 232 N CA 1.573 54.665 53.050 0.071 0.000 0.867 232 N CB -0.730 37.807 38.487 0.083 0.000 1.055 232 N HN 0.538 nan 8.380 nan 0.000 0.430 233 P HA 0.048 nan 4.420 nan 0.000 0.259 233 P C -0.200 177.129 177.300 0.048 0.000 1.211 233 P CA 0.156 63.318 63.100 0.103 0.000 0.810 233 P CB -0.452 31.313 31.700 0.108 0.000 0.815 234 G N 3.760 112.577 108.800 0.029 0.000 2.414 234 G HA2 0.294 4.365 3.960 0.186 0.000 0.236 234 G HA3 0.294 4.365 3.960 0.186 0.000 0.236 234 G C -0.001 174.898 174.900 -0.001 0.000 1.293 234 G CA -0.200 44.903 45.100 0.006 0.000 0.869 234 G HN 0.589 nan 8.290 nan 0.000 0.556 235 S N 1.176 116.874 115.700 -0.003 0.000 2.513 235 S HA 0.755 5.337 4.470 0.186 0.000 0.299 235 S C -0.413 174.183 174.600 -0.007 0.000 1.087 235 S CA -0.880 57.319 58.200 -0.002 0.000 1.012 235 S CB 2.099 65.298 63.200 -0.003 0.000 1.044 235 S HN 0.505 nan 8.310 nan 0.000 0.485 236 I N 1.701 122.269 120.570 -0.003 0.000 2.846 236 I HA 0.496 4.777 4.170 0.186 0.000 0.307 236 I C 0.497 176.609 176.117 -0.007 0.000 1.053 236 I CA -0.731 60.565 61.300 -0.007 0.000 1.050 236 I CB 2.719 40.716 38.000 -0.004 0.000 1.239 236 I HN 0.942 nan 8.210 nan 0.000 0.439 237 T N 0.868 115.416 114.554 -0.010 0.000 2.881 237 T HA 0.260 4.722 4.350 0.186 0.000 0.278 237 T C 1.174 175.868 174.700 -0.009 0.000 0.982 237 T CA -0.765 61.328 62.100 -0.011 0.000 0.989 237 T CB 1.145 70.006 68.868 -0.011 0.000 1.058 237 T HN 0.387 nan 8.240 nan 0.000 0.529 238 M N 0.600 120.193 119.600 -0.012 0.000 2.082 238 M HA -0.113 4.478 4.480 0.186 0.000 0.258 238 M C 2.001 178.301 176.300 -0.001 0.000 1.069 238 M CA 1.910 57.203 55.300 -0.011 0.000 1.102 238 M CB -1.585 31.005 32.600 -0.017 0.000 1.336 238 M HN 0.745 nan 8.290 nan 0.000 0.404 239 E N 0.013 120.212 120.200 -0.001 0.000 2.106 239 E HA -0.129 4.333 4.350 0.186 0.000 0.192 239 E C 1.953 178.556 176.600 0.005 0.000 0.984 239 E CA 1.044 57.447 56.400 0.005 0.000 0.806 239 E CB -0.280 29.420 29.700 0.001 0.000 0.750 239 E HN 0.570 nan 8.360 nan 0.000 0.458 240 E N 0.289 120.487 120.200 -0.003 0.000 2.107 240 E HA -0.086 4.376 4.350 0.186 0.000 0.191 240 E C 2.041 178.634 176.600 -0.011 0.000 0.982 240 E CA 0.801 57.194 56.400 -0.013 0.000 0.809 240 E CB -0.121 29.567 29.700 -0.019 0.000 0.756 240 E HN 0.267 nan 8.360 nan 0.000 0.459 241 A N 0.844 123.665 122.820 0.002 0.000 1.883 241 A HA -0.235 4.197 4.320 0.186 0.000 0.217 241 A C 2.373 179.995 177.584 0.063 0.000 1.186 241 A CA 2.187 54.235 52.037 0.018 0.000 0.624 241 A CB -1.052 17.956 19.000 0.013 0.000 0.822 241 A HN 0.322 nan 8.150 nan 0.000 0.444 242 T N -0.519 114.078 114.554 0.071 0.000 2.668 242 T HA -0.180 4.281 4.350 0.186 0.000 0.262 242 T C 2.172 176.962 174.700 0.151 0.000 1.045 242 T CA 3.275 65.463 62.100 0.146 0.000 1.152 242 T CB -1.002 67.928 68.868 0.105 0.000 0.864 242 T HN 0.728 nan 8.240 nan 0.000 0.419 243 T N 1.000 115.593 114.554 0.065 0.000 2.685 243 T HA -0.119 4.342 4.350 0.186 0.000 0.268 243 T C 2.090 176.798 174.700 0.014 0.000 1.034 243 T CA 1.661 63.778 62.100 0.028 0.000 1.149 243 T CB -1.022 67.845 68.868 -0.001 0.000 0.860 243 T HN 0.413 nan 8.240 nan 0.000 0.449 244 L N -0.665 120.554 121.223 -0.007 0.000 2.079 244 L HA 0.040 4.491 4.340 0.186 0.000 0.210 244 L C 2.481 179.377 176.870 0.044 0.000 1.081 244 L CA 1.848 56.630 54.840 -0.096 0.000 0.752 244 L CB -0.491 41.424 42.059 -0.239 0.000 0.896 244 L HN 0.323 nan 8.230 nan 0.000 0.433 245 F N 0.488 120.439 119.950 0.002 0.000 2.113 245 F HA -0.212 4.427 4.527 0.186 0.000 0.297 245 F C 2.580 178.445 175.800 0.109 0.000 1.103 245 F CA 1.099 59.167 58.000 0.112 0.000 1.248 245 F CB 0.099 39.161 39.000 0.103 0.000 0.999 245 F HN 0.030 nan 8.300 nan 0.000 0.475 246 E N 0.609 120.762 120.200 -0.078 0.000 2.048 246 E HA -0.316 4.145 4.350 0.186 0.000 0.202 246 E C 2.093 178.601 176.600 -0.153 0.000 1.021 246 E CA 1.648 57.944 56.400 -0.175 0.000 0.825 246 E CB -0.722 28.942 29.700 -0.059 0.000 0.756 246 E HN 0.300 nan 8.360 nan 0.000 0.454 247 R N 1.602 122.053 120.500 -0.081 0.000 2.088 247 R HA -0.144 4.307 4.340 0.186 0.000 0.232 247 R C 1.882 178.139 176.300 -0.071 0.000 1.136 247 R CA 2.170 58.229 56.100 -0.068 0.000 0.926 247 R CB -0.819 29.448 30.300 -0.055 0.000 0.837 247 R HN 0.117 nan 8.270 nan 0.000 0.429 248 D N -0.014 120.362 120.400 -0.039 0.000 2.149 248 D HA -0.203 4.549 4.640 0.186 0.000 0.194 248 D C 1.847 178.099 176.300 -0.080 0.000 1.001 248 D CA 1.751 55.722 54.000 -0.049 0.000 0.849 248 D CB -0.176 40.662 40.800 0.064 0.000 0.939 248 D HN 0.210 nan 8.370 nan 0.000 0.449 249 L N 1.048 122.236 121.223 -0.059 0.000 2.005 249 L HA -0.050 4.402 4.340 0.186 0.000 0.207 249 L C 2.307 179.132 176.870 -0.074 0.000 1.072 249 L CA 2.000 56.814 54.840 -0.043 0.000 0.744 249 L CB -0.864 40.929 42.059 -0.443 0.000 0.895 249 L HN -0.050 nan 8.230 nan 0.000 0.433 250 A N -0.565 122.186 122.820 -0.115 0.000 1.917 250 A HA -0.283 4.149 4.320 0.186 0.000 0.219 250 A C 1.926 179.461 177.584 -0.082 0.000 1.182 250 A CA 2.194 54.177 52.037 -0.091 0.000 0.633 250 A CB -1.079 17.870 19.000 -0.084 0.000 0.819 250 A HN 0.581 nan 8.150 nan 0.000 0.448 251 D N -0.957 119.395 120.400 -0.081 0.000 2.097 251 D HA -0.171 4.581 4.640 0.186 0.000 0.195 251 D C 1.923 178.169 176.300 -0.090 0.000 0.989 251 D CA 1.382 55.333 54.000 -0.082 0.000 0.827 251 D CB -0.334 40.416 40.800 -0.083 0.000 0.966 251 D HN 0.340 nan 8.370 nan 0.000 0.456 252 M N 0.558 120.108 119.600 -0.084 0.000 2.082 252 M HA -0.238 4.353 4.480 0.186 0.000 0.258 252 M C 1.632 177.866 176.300 -0.110 0.000 1.071 252 M CA 1.787 57.043 55.300 -0.074 0.000 1.103 252 M CB -0.710 31.899 32.600 0.015 0.000 1.307 252 M HN 0.006 nan 8.290 nan 0.000 0.409 253 Q N -0.747 118.990 119.800 -0.106 0.000 2.515 253 Q HA -0.166 4.286 4.340 0.186 0.000 0.215 253 Q C 1.893 177.749 176.000 -0.240 0.000 0.983 253 Q CA 1.095 56.787 55.803 -0.185 0.000 0.905 253 Q CB -0.024 28.645 28.738 -0.115 0.000 0.961 253 Q HN 0.498 nan 8.270 nan 0.000 0.503 254 R N 0.130 120.527 120.500 -0.171 0.000 1.981 254 R HA -0.065 4.387 4.340 0.186 0.000 0.207 254 R C 1.308 177.515 176.300 -0.156 0.000 1.375 254 R CA 0.993 57.001 56.100 -0.152 0.000 1.068 254 R CB 0.108 30.346 30.300 -0.102 0.000 0.890 254 R HN 0.097 nan 8.270 nan 0.000 0.481 255 D N 1.113 121.448 120.400 -0.109 0.000 2.200 255 D HA -0.285 4.467 4.640 0.186 0.000 0.192 255 D C 1.764 178.025 176.300 -0.065 0.000 1.008 255 D CA 1.683 55.643 54.000 -0.066 0.000 0.872 255 D CB -0.382 40.392 40.800 -0.044 0.000 0.923 255 D HN 0.350 nan 8.370 nan 0.000 0.447 256 I N 0.413 120.888 120.570 -0.158 0.000 2.142 256 I HA -0.298 3.983 4.170 0.186 0.000 0.240 256 I C 1.974 177.929 176.117 -0.269 0.000 1.078 256 I CA 1.461 62.631 61.300 -0.216 0.000 1.343 256 I CB 0.087 37.891 38.000 -0.327 0.000 1.046 256 I HN -0.066 nan 8.210 nan 0.000 0.405 257 K N 0.422 120.544 120.400 -0.464 0.000 2.097 257 K HA -0.127 4.305 4.320 0.186 0.000 0.206 257 K C 1.799 178.318 176.600 -0.135 0.000 1.049 257 K CA 1.777 57.796 56.287 -0.448 0.000 0.933 257 K CB -0.226 31.925 32.500 -0.580 0.000 0.717 257 K HN 0.448 nan 8.250 nan 0.000 0.442 258 S N 0.185 115.823 115.700 -0.103 0.000 2.631 258 S HA -0.013 4.569 4.470 0.186 0.000 0.217 258 S C 0.505 175.099 174.600 -0.009 0.000 0.958 258 S CA -0.383 57.791 58.200 -0.044 0.000 0.920 258 S CB -0.347 62.818 63.200 -0.058 0.000 0.776 258 S HN 0.225 nan 8.310 nan 0.000 0.517 259 H N 2.406 121.437 119.070 -0.064 0.000 2.629 259 H HA 0.266 4.934 4.556 0.186 0.000 0.357 259 H C 1.376 176.700 175.328 -0.007 0.000 1.121 259 H CA 0.793 56.819 56.048 -0.036 0.000 1.406 259 H CB 1.684 31.422 29.762 -0.040 0.000 1.456 259 H HN 0.366 nan 8.280 nan 0.000 0.579 260 S N 3.847 119.418 115.700 -0.216 0.000 2.345 260 S HA -0.138 4.444 4.470 0.186 0.000 0.219 260 S C 1.986 176.674 174.600 0.147 0.000 1.031 260 S CA 1.099 59.277 58.200 -0.036 0.000 0.984 260 S CB -0.025 63.103 63.200 -0.119 0.000 0.874 260 S HN 0.701 nan 8.310 nan 0.000 0.451 261 K N 0.619 121.211 120.400 0.320 0.000 2.076 261 K HA 0.103 4.535 4.320 0.186 0.000 0.204 261 K C 1.935 178.665 176.600 0.218 0.000 1.051 261 K CA 1.174 57.622 56.287 0.269 0.000 0.949 261 K CB -0.151 32.508 32.500 0.265 0.000 0.726 261 K HN 0.306 nan 8.250 nan 0.000 0.443 262 V N 0.352 120.396 119.914 0.217 0.000 2.649 262 V HA -0.019 4.213 4.120 0.186 0.000 0.248 262 V C 2.271 178.448 176.094 0.139 0.000 1.054 262 V CA 1.668 63.984 62.300 0.026 0.000 1.073 262 V CB -0.218 31.439 31.823 -0.276 0.000 0.699 262 V HN 0.546 nan 8.190 nan 0.000 0.463 263 G N 1.699 110.611 108.800 0.186 0.000 2.421 263 G HA2 -0.156 3.916 3.960 0.186 0.000 0.216 263 G HA3 -0.156 3.916 3.960 0.186 0.000 0.216 263 G C 0.212 175.269 174.900 0.260 0.000 1.171 263 G CA 1.138 46.360 45.100 0.202 0.000 0.775 263 G HN 0.560 nan 8.290 nan 0.000 0.543 264 P HA -0.066 nan 4.420 nan 0.000 0.216 264 P C 2.041 179.434 177.300 0.154 0.000 1.150 264 P CA 1.173 64.365 63.100 0.154 0.000 0.837 264 P CB -0.184 31.582 31.700 0.110 0.000 0.786 265 V N -0.997 119.012 119.914 0.159 0.000 2.295 265 V HA -0.187 4.045 4.120 0.186 0.000 0.246 265 V C 2.514 178.707 176.094 0.165 0.000 1.049 265 V CA 1.876 64.261 62.300 0.142 0.000 1.024 265 V CB -1.808 30.093 31.823 0.130 0.000 0.648 265 V HN 0.114 nan 8.190 nan 0.000 0.447 266 W N 1.033 122.353 121.300 0.033 0.000 2.338 266 W HA -0.288 4.484 4.660 0.186 0.000 0.304 266 W C 2.609 179.146 176.519 0.030 0.000 1.212 266 W CA 2.279 59.638 57.345 0.023 0.000 1.264 266 W CB -0.207 29.260 29.460 0.012 0.000 1.142 266 W HN 0.219 nan 8.180 nan 0.000 0.512 267 Q N 0.473 120.376 119.800 0.172 0.000 2.123 267 Q HA -0.048 4.404 4.340 0.186 0.000 0.199 267 Q C 2.182 178.127 176.000 -0.091 0.000 0.966 267 Q CA 2.326 58.118 55.803 -0.017 0.000 0.845 267 Q CB -0.723 28.125 28.738 0.183 0.000 0.907 267 Q HN 0.273 nan 8.270 nan 0.000 0.439 268 A N 0.064 122.879 122.820 -0.009 0.000 1.855 268 A HA 0.040 4.472 4.320 0.186 0.000 0.215 268 A C 0.970 178.549 177.584 -0.008 0.000 1.191 268 A CA 1.002 53.042 52.037 0.006 0.000 0.613 268 A CB -1.245 17.784 19.000 0.049 0.000 0.829 268 A HN 0.373 nan 8.150 nan 0.000 0.442 269 V N -0.558 119.352 119.914 -0.006 0.000 3.139 269 V HA 0.111 4.343 4.120 0.186 0.000 0.307 269 V C 0.475 176.492 176.094 -0.129 0.000 1.095 269 V CA -0.573 61.731 62.300 0.008 0.000 1.160 269 V CB -0.213 31.628 31.823 0.031 0.000 1.003 269 V HN 0.616 nan 8.190 nan 0.000 0.489 270 N N 1.019 119.653 118.700 -0.109 0.000 2.267 270 N HA -0.024 4.828 4.740 0.186 0.000 0.226 270 N C 1.133 176.519 175.510 -0.207 0.000 1.314 270 N CA -0.302 52.656 53.050 -0.153 0.000 0.887 270 N CB 0.459 38.848 38.487 -0.163 0.000 1.120 270 N HN 0.783 nan 8.380 nan 0.000 0.440 271 R N 0.977 121.367 120.500 -0.183 0.000 2.061 271 R HA -0.026 4.426 4.340 0.186 0.000 0.230 271 R C 2.110 178.324 176.300 -0.144 0.000 1.140 271 R CA 1.900 57.894 56.100 -0.177 0.000 0.940 271 R CB -1.061 29.163 30.300 -0.128 0.000 0.839 271 R HN 0.604 nan 8.270 nan 0.000 0.429 272 S N 0.525 116.147 115.700 -0.130 0.000 2.374 272 S HA -0.154 4.428 4.470 0.186 0.000 0.227 272 S C 1.928 176.453 174.600 -0.125 0.000 1.037 272 S CA 1.640 59.767 58.200 -0.121 0.000 1.024 272 S CB -0.270 62.858 63.200 -0.119 0.000 0.861 272 S HN 0.358 nan 8.310 nan 0.000 0.456 273 R N 0.580 120.983 120.500 -0.161 0.000 2.115 273 R HA -0.023 4.429 4.340 0.186 0.000 0.226 273 R C 2.587 178.826 176.300 -0.101 0.000 1.100 273 R CA 0.934 56.939 56.100 -0.157 0.000 0.980 273 R CB -0.233 29.919 30.300 -0.247 0.000 0.875 273 R HN 0.485 nan 8.270 nan 0.000 0.445 274 Q N 0.549 120.261 119.800 -0.146 0.000 2.050 274 Q HA -0.122 4.330 4.340 0.186 0.000 0.202 274 Q C 2.061 178.087 176.000 0.044 0.000 0.980 274 Q CA 1.500 57.208 55.803 -0.159 0.000 0.840 274 Q CB 0.083 28.583 28.738 -0.397 0.000 0.898 274 Q HN 0.289 nan 8.270 nan 0.000 0.424 275 M N -0.534 119.068 119.600 0.003 0.000 2.213 275 M HA -0.173 4.419 4.480 0.186 0.000 0.263 275 M C 2.222 178.532 176.300 0.016 0.000 1.062 275 M CA 1.294 56.604 55.300 0.018 0.000 1.105 275 M CB -0.217 32.346 32.600 -0.063 0.000 1.385 275 M HN 0.296 nan 8.290 nan 0.000 0.417 276 A N 0.617 123.440 122.820 0.004 0.000 1.883 276 A HA -0.150 4.281 4.320 0.186 0.000 0.217 276 A C 2.104 179.714 177.584 0.043 0.000 1.186 276 A CA 1.481 53.540 52.037 0.038 0.000 0.624 276 A CB -0.887 18.136 19.000 0.037 0.000 0.822 276 A HN 0.456 nan 8.150 nan 0.000 0.444 277 L N -0.861 120.392 121.223 0.050 0.000 2.056 277 L HA -0.186 4.265 4.340 0.186 0.000 0.207 277 L C 2.659 179.559 176.870 0.049 0.000 1.078 277 L CA 1.583 56.444 54.840 0.035 0.000 0.749 277 L CB -0.596 41.531 42.059 0.114 0.000 0.901 277 L HN 0.488 nan 8.230 nan 0.000 0.433 278 E N -0.153 120.121 120.200 0.123 0.000 2.077 278 E HA -0.244 4.218 4.350 0.186 0.000 0.193 278 E C 1.905 178.577 176.600 0.119 0.000 0.989 278 E CA 1.066 57.533 56.400 0.111 0.000 0.800 278 E CB -0.235 29.553 29.700 0.147 0.000 0.746 278 E HN 0.423 nan 8.360 nan 0.000 0.452 279 N N 1.146 119.907 118.700 0.101 0.000 2.043 279 N HA -0.193 4.658 4.740 0.186 0.000 0.193 279 N C 1.906 177.509 175.510 0.156 0.000 1.037 279 N CA 1.466 54.592 53.050 0.128 0.000 0.851 279 N CB -0.080 38.472 38.487 0.109 0.000 1.027 279 N HN 0.155 nan 8.380 nan 0.000 0.422 280 M N 0.532 120.166 119.600 0.058 0.000 2.106 280 M HA -0.164 4.428 4.480 0.186 0.000 0.259 280 M C 2.375 178.636 176.300 -0.064 0.000 1.068 280 M CA 1.627 56.877 55.300 -0.083 0.000 1.100 280 M CB -0.509 31.867 32.600 -0.373 0.000 1.351 280 M HN 0.226 nan 8.290 nan 0.000 0.404 281 A N 0.098 122.900 122.820 -0.029 0.000 1.877 281 A HA -0.213 4.219 4.320 0.186 0.000 0.216 281 A C 2.006 179.621 177.584 0.052 0.000 1.186 281 A CA 1.477 53.499 52.037 -0.025 0.000 0.620 281 A CB -1.163 17.820 19.000 -0.028 0.000 0.822 281 A HN 0.518 nan 8.150 nan 0.000 0.443 282 F N 0.120 120.072 119.950 0.003 0.000 2.307 282 F HA -0.185 4.453 4.527 0.186 0.000 0.301 282 F C 2.440 178.282 175.800 0.070 0.000 1.076 282 F CA 2.061 60.090 58.000 0.048 0.000 1.383 282 F CB 0.072 39.128 39.000 0.095 0.000 1.055 282 F HN 0.375 nan 8.300 nan 0.000 0.526 283 Q N -0.024 119.941 119.800 0.275 0.000 2.159 283 Q HA -0.074 4.377 4.340 0.186 0.000 0.194 283 Q C 2.040 178.111 176.000 0.118 0.000 0.968 283 Q CA 1.380 57.324 55.803 0.234 0.000 0.837 283 Q CB 0.062 28.970 28.738 0.283 0.000 0.920 283 Q HN 0.559 nan 8.270 nan 0.000 0.485 284 M N -1.939 117.690 119.600 0.049 0.000 2.382 284 M HA 0.397 4.989 4.480 0.186 0.000 0.247 284 M C 0.399 176.691 176.300 -0.013 0.000 1.104 284 M CA 0.591 55.908 55.300 0.028 0.000 1.030 284 M CB 1.209 33.804 32.600 -0.008 0.000 1.424 284 M HN 0.102 nan 8.290 nan 0.000 0.486 285 G N 1.356 110.128 108.800 -0.045 0.000 3.039 285 G HA2 -0.164 3.908 3.960 0.186 0.000 0.686 285 G HA3 -0.164 3.908 3.960 0.186 0.000 0.686 285 G C -0.082 174.767 174.900 -0.084 0.000 1.066 285 G CA -0.334 44.727 45.100 -0.065 0.000 0.774 285 G HN 0.217 nan 8.290 nan 0.000 0.591 286 V N 3.076 122.930 119.914 -0.099 0.000 2.527 286 V HA -0.104 4.128 4.120 0.186 0.000 0.255 286 V C 2.688 178.669 176.094 -0.188 0.000 1.081 286 V CA 3.581 65.785 62.300 -0.160 0.000 1.092 286 V CB -0.852 30.890 31.823 -0.134 0.000 0.673 286 V HN 1.872 nan 8.190 nan 0.000 0.470 287 G N -0.355 108.408 108.800 -0.062 0.000 2.604 287 G HA2 -0.173 3.898 3.960 0.186 0.000 0.216 287 G HA3 -0.173 3.898 3.960 0.186 0.000 0.216 287 G C 1.629 176.521 174.900 -0.013 0.000 1.265 287 G CA 0.783 45.887 45.100 0.007 0.000 0.804 287 G HN 0.686 nan 8.290 nan 0.000 0.579 288 G N 0.095 108.896 108.800 0.002 0.000 2.503 288 G HA2 -0.219 3.852 3.960 0.186 0.000 0.221 288 G HA3 -0.219 3.852 3.960 0.186 0.000 0.221 288 G C 1.790 176.731 174.900 0.068 0.000 1.131 288 G CA 1.440 46.568 45.100 0.045 0.000 0.756 288 G HN 0.379 nan 8.290 nan 0.000 0.572 289 V N 1.439 121.310 119.914 -0.072 0.000 2.392 289 V HA -0.163 4.069 4.120 0.186 0.000 0.249 289 V C 3.225 179.314 176.094 -0.008 0.000 1.059 289 V CA 1.852 64.052 62.300 -0.167 0.000 1.051 289 V CB -0.795 30.861 31.823 -0.278 0.000 0.658 289 V HN 0.498 nan 8.190 nan 0.000 0.455 290 A N -0.601 122.183 122.820 -0.059 0.000 2.225 290 A HA -0.168 4.264 4.320 0.186 0.000 0.215 290 A C 2.118 179.766 177.584 0.106 0.000 1.164 290 A CA 1.257 53.289 52.037 -0.008 0.000 0.710 290 A CB -0.423 18.562 19.000 -0.025 0.000 0.780 290 A HN 0.602 nan 8.150 nan 0.000 0.473 291 K N -1.283 119.219 120.400 0.170 0.000 2.459 291 K HA 0.082 4.514 4.320 0.186 0.000 0.193 291 K C -0.567 176.074 176.600 0.069 0.000 1.030 291 K CA 0.206 56.561 56.287 0.114 0.000 1.026 291 K CB 0.049 32.594 32.500 0.074 0.000 0.809 291 K HN 0.456 nan 8.250 nan 0.000 0.504 292 F N 2.993 122.924 119.950 -0.031 0.000 2.752 292 F HA 0.057 4.696 4.527 0.186 0.000 0.332 292 F C 1.388 177.188 175.800 0.001 0.000 1.188 292 F CA -0.952 57.037 58.000 -0.018 0.000 1.296 292 F CB -0.705 38.266 39.000 -0.048 0.000 1.526 292 F HN 0.094 nan 8.300 nan 0.000 0.576 293 N N -0.903 117.860 118.700 0.105 0.000 2.043 293 N HA -0.214 4.638 4.740 0.186 0.000 0.193 293 N C 1.523 177.079 175.510 0.076 0.000 1.037 293 N CA 2.199 55.298 53.050 0.081 0.000 0.851 293 N CB -0.919 37.596 38.487 0.046 0.000 1.027 293 N HN 0.239 nan 8.380 nan 0.000 0.422 294 T N 1.512 116.098 114.554 0.055 0.000 2.699 294 T HA -0.147 4.315 4.350 0.186 0.000 0.268 294 T C 1.869 176.621 174.700 0.086 0.000 1.036 294 T CA 1.609 63.740 62.100 0.052 0.000 1.147 294 T CB -0.232 68.654 68.868 0.031 0.000 0.862 294 T HN 0.307 nan 8.240 nan 0.000 0.446 295 M N 0.154 119.839 119.600 0.142 0.000 2.123 295 M HA -0.034 4.558 4.480 0.186 0.000 0.263 295 M C 1.931 178.322 176.300 0.152 0.000 1.069 295 M CA 1.387 56.797 55.300 0.182 0.000 1.133 295 M CB -0.224 32.556 32.600 0.301 0.000 1.356 295 M HN 0.163 nan 8.290 nan 0.000 0.415 296 L N 0.543 121.853 121.223 0.145 0.000 1.994 296 L HA -0.164 4.288 4.340 0.186 0.000 0.208 296 L C 2.444 179.364 176.870 0.083 0.000 1.071 296 L CA 1.989 56.895 54.840 0.111 0.000 0.745 296 L CB -1.597 40.523 42.059 0.101 0.000 0.892 296 L HN 0.328 nan 8.230 nan 0.000 0.431 297 T N -0.163 114.431 114.554 0.067 0.000 2.570 297 T HA -0.291 4.171 4.350 0.186 0.000 0.266 297 T C 1.883 176.589 174.700 0.010 0.000 1.071 297 T CA 1.857 63.979 62.100 0.036 0.000 1.172 297 T CB -0.609 68.277 68.868 0.030 0.000 0.864 297 T HN 0.442 nan 8.240 nan 0.000 0.421 298 A N 0.864 123.692 122.820 0.014 0.000 1.978 298 A HA -0.063 4.368 4.320 0.186 0.000 0.220 298 A C 2.312 179.848 177.584 -0.079 0.000 1.170 298 A CA 1.860 53.880 52.037 -0.028 0.000 0.636 298 A CB -0.759 18.249 19.000 0.012 0.000 0.810 298 A HN 0.533 nan 8.150 nan 0.000 0.448 299 M N -1.021 118.594 119.600 0.025 0.000 2.229 299 M HA -0.066 4.526 4.480 0.186 0.000 0.264 299 M C 1.930 178.210 176.300 -0.034 0.000 1.063 299 M CA 1.109 56.464 55.300 0.091 0.000 1.114 299 M CB -0.087 32.663 32.600 0.251 0.000 1.387 299 M HN 0.402 nan 8.290 nan 0.000 0.420 300 L N 0.504 121.716 121.223 -0.018 0.000 1.973 300 L HA -0.056 4.396 4.340 0.186 0.000 0.208 300 L C 2.359 179.158 176.870 -0.117 0.000 1.073 300 L CA 2.276 57.101 54.840 -0.025 0.000 0.746 300 L CB -1.572 40.489 42.059 0.003 0.000 0.891 300 L HN 0.336 nan 8.230 nan 0.000 0.433 301 A N -0.729 122.008 122.820 -0.138 0.000 2.292 301 A HA 0.099 4.531 4.320 0.186 0.000 0.209 301 A C 1.680 179.074 177.584 -0.316 0.000 1.209 301 A CA 1.127 53.061 52.037 -0.172 0.000 0.746 301 A CB -1.217 17.706 19.000 -0.128 0.000 0.764 301 A HN 0.855 nan 8.150 nan 0.000 0.492 302 G N -0.664 107.812 108.800 -0.540 0.000 2.168 302 G HA2 -0.302 3.769 3.960 0.186 0.000 0.263 302 G HA3 -0.302 3.769 3.960 0.186 0.000 0.263 302 G C 0.169 174.306 174.900 -1.273 0.000 0.977 302 G CA 0.494 44.973 45.100 -1.035 0.000 0.659 302 G HN 0.631 nan 8.290 nan 0.000 0.533 303 D N 0.052 120.014 120.400 -0.730 0.000 2.508 303 D HA 0.298 5.050 4.640 0.186 0.000 0.224 303 D C 1.413 177.545 176.300 -0.279 0.000 1.171 303 D CA -0.683 53.061 54.000 -0.427 0.000 1.006 303 D CB -0.572 40.111 40.800 -0.195 0.000 1.073 303 D HN 0.547 nan 8.370 nan 0.000 0.513 304 W N 1.767 123.090 121.300 0.038 0.000 2.335 304 W HA -0.133 4.639 4.660 0.186 0.000 0.311 304 W C 2.079 178.650 176.519 0.086 0.000 1.213 304 W CA 0.144 57.521 57.345 0.054 0.000 1.274 304 W CB -0.039 29.435 29.460 0.023 0.000 1.148 304 W HN 0.350 nan 8.180 nan 0.000 0.498 305 E N 0.578 120.933 120.200 0.257 0.000 2.110 305 E HA -0.245 4.217 4.350 0.186 0.000 0.193 305 E C 1.965 178.692 176.600 0.212 0.000 0.988 305 E CA 1.306 57.830 56.400 0.207 0.000 0.804 305 E CB -0.281 29.490 29.700 0.118 0.000 0.745 305 E HN 0.274 nan 8.360 nan 0.000 0.458 306 K N 0.709 121.189 120.400 0.134 0.000 2.057 306 K HA -0.118 4.313 4.320 0.186 0.000 0.206 306 K C 2.123 178.811 176.600 0.146 0.000 1.050 306 K CA 1.118 57.467 56.287 0.104 0.000 0.935 306 K CB -0.078 32.447 32.500 0.042 0.000 0.715 306 K HN 0.073 nan 8.250 nan 0.000 0.439 307 A N 0.310 123.243 122.820 0.189 0.000 1.877 307 A HA -0.212 4.220 4.320 0.186 0.000 0.216 307 A C 2.094 179.841 177.584 0.271 0.000 1.186 307 A CA 1.617 53.797 52.037 0.237 0.000 0.620 307 A CB -0.990 18.205 19.000 0.325 0.000 0.822 307 A HN 0.619 nan 8.150 nan 0.000 0.443 308 Y N 0.478 120.880 120.300 0.170 0.000 2.274 308 Y HA -0.166 4.496 4.550 0.186 0.000 0.290 308 Y C 2.252 178.191 175.900 0.065 0.000 1.145 308 Y CA 2.264 60.438 58.100 0.123 0.000 1.203 308 Y CB -0.142 38.385 38.460 0.112 0.000 0.984 308 Y HN 0.301 nan 8.280 nan 0.000 0.533 309 K N 0.125 120.588 120.400 0.105 0.000 2.103 309 K HA -0.058 4.374 4.320 0.186 0.000 0.204 309 K C 2.227 178.801 176.600 -0.043 0.000 1.052 309 K CA 0.929 57.194 56.287 -0.036 0.000 0.945 309 K CB -0.298 32.250 32.500 0.080 0.000 0.722 309 K HN 0.380 nan 8.250 nan 0.000 0.443 310 A N 0.914 123.766 122.820 0.053 0.000 1.858 310 A HA -0.056 4.375 4.320 0.186 0.000 0.216 310 A C 2.383 180.063 177.584 0.159 0.000 1.190 310 A CA 1.845 53.938 52.037 0.092 0.000 0.617 310 A CB -1.415 17.665 19.000 0.133 0.000 0.827 310 A HN 0.511 nan 8.150 nan 0.000 0.443 311 G N -0.611 108.318 108.800 0.215 0.000 2.469 311 G HA2 -0.260 3.812 3.960 0.186 0.000 0.219 311 G HA3 -0.260 3.812 3.960 0.186 0.000 0.219 311 G C 1.751 176.849 174.900 0.329 0.000 1.150 311 G CA 0.972 46.312 45.100 0.400 0.000 0.763 311 G HN 0.555 nan 8.290 nan 0.000 0.561 312 R N -0.130 120.287 120.500 -0.139 0.000 2.153 312 R HA -0.009 4.443 4.340 0.186 0.000 0.218 312 R C 1.081 177.252 176.300 -0.214 0.000 1.072 312 R CA 0.815 56.569 56.100 -0.575 0.000 0.990 312 R CB -0.071 29.586 30.300 -1.071 0.000 0.889 312 R HN 0.213 nan 8.270 nan 0.000 0.452 313 D N 1.649 122.009 120.400 -0.066 0.000 2.663 313 D HA -0.017 4.735 4.640 0.186 0.000 0.243 313 D C -0.500 175.839 176.300 0.065 0.000 1.218 313 D CA -0.074 53.926 54.000 -0.000 0.000 0.846 313 D CB -0.040 40.752 40.800 -0.013 0.000 1.014 313 D HN 0.106 nan 8.370 nan 0.000 0.476 314 S N -1.058 114.743 115.700 0.168 0.000 2.677 314 S HA 0.267 4.849 4.470 0.186 0.000 0.304 314 S C 0.861 175.599 174.600 0.231 0.000 1.108 314 S CA -0.879 57.441 58.200 0.200 0.000 0.944 314 S CB 1.458 64.886 63.200 0.380 0.000 1.127 314 S HN 0.014 nan 8.310 nan 0.000 0.511 315 L N 0.395 121.733 121.223 0.191 0.000 2.217 315 L HA 0.109 4.561 4.340 0.186 0.000 0.211 315 L C 1.748 178.762 176.870 0.240 0.000 1.107 315 L CA 1.824 56.763 54.840 0.164 0.000 0.783 315 L CB -1.093 41.039 42.059 0.122 0.000 0.919 315 L HN 1.002 nan 8.230 nan 0.000 0.442 316 W N 0.185 121.589 121.300 0.172 0.000 2.354 316 W HA -0.294 4.477 4.660 0.186 0.000 0.315 316 W C 2.562 179.182 176.519 0.168 0.000 1.206 316 W CA 2.062 59.528 57.345 0.201 0.000 1.290 316 W CB -1.102 28.566 29.460 0.347 0.000 1.152 316 W HN 0.274 nan 8.180 nan 0.000 0.489 317 Y N 1.640 121.819 120.300 -0.201 0.000 2.165 317 Y HA -0.306 4.356 4.550 0.186 0.000 0.286 317 Y C 2.811 178.526 175.900 -0.308 0.000 1.155 317 Y CA 2.846 60.619 58.100 -0.546 0.000 1.164 317 Y CB -1.046 37.262 38.460 -0.253 0.000 0.978 317 Y HN 0.249 nan 8.280 nan 0.000 0.513 318 Q N -0.049 119.682 119.800 -0.115 0.000 2.181 318 Q HA -0.264 4.187 4.340 0.186 0.000 0.205 318 Q C 1.817 177.701 176.000 -0.194 0.000 0.980 318 Q CA 2.135 57.859 55.803 -0.132 0.000 0.862 318 Q CB -0.054 28.684 28.738 -0.000 0.000 0.905 318 Q HN 0.821 nan 8.270 nan 0.000 0.429 319 Q N -2.538 117.159 119.800 -0.172 0.000 2.317 319 Q HA 0.116 4.568 4.340 0.186 0.000 0.220 319 Q C 1.085 176.969 176.000 -0.193 0.000 0.873 319 Q CA 0.748 56.468 55.803 -0.138 0.000 0.936 319 Q CB 0.543 29.254 28.738 -0.044 0.000 1.105 319 Q HN 0.081 nan 8.270 nan 0.000 0.520 320 T N 0.488 114.836 114.554 -0.343 0.000 3.037 320 T HA 0.103 4.564 4.350 0.186 0.000 0.252 320 T C 0.201 174.654 174.700 -0.412 0.000 1.073 320 T CA 0.386 62.273 62.100 -0.355 0.000 1.091 320 T CB 0.133 68.676 68.868 -0.542 0.000 0.935 320 T HN 0.266 nan 8.240 nan 0.000 0.488 321 K N 0.597 120.645 120.400 -0.587 0.000 1.736 321 K HA -0.326 4.106 4.320 0.186 0.000 0.128 321 K C 1.883 178.216 176.600 -0.445 0.000 0.962 321 K CA 1.497 57.426 56.287 -0.597 0.000 0.319 321 K CB -1.829 30.459 32.500 -0.354 0.000 0.678 321 K HN 0.293 nan 8.250 nan 0.000 0.853 322 G N 0.647 109.286 108.800 -0.269 0.000 2.802 322 G HA2 -0.421 3.650 3.960 0.186 0.000 0.222 322 G HA3 -0.421 3.650 3.960 0.186 0.000 0.222 322 G C 1.353 176.148 174.900 -0.174 0.000 1.248 322 G CA 2.107 47.096 45.100 -0.186 0.000 0.787 322 G HN 0.538 nan 8.290 nan 0.000 0.643 323 R N 0.654 121.061 120.500 -0.154 0.000 2.094 323 R HA -0.123 4.329 4.340 0.186 0.000 0.239 323 R C 2.993 179.255 176.300 -0.062 0.000 1.137 323 R CA 1.977 58.023 56.100 -0.091 0.000 0.943 323 R CB -0.666 29.624 30.300 -0.016 0.000 0.850 323 R HN 0.357 nan 8.270 nan 0.000 0.433 324 A N 0.139 122.828 122.820 -0.218 0.000 1.948 324 A HA -0.193 4.239 4.320 0.186 0.000 0.220 324 A C 2.235 179.844 177.584 0.042 0.000 1.177 324 A CA 2.150 53.997 52.037 -0.315 0.000 0.636 324 A CB -0.619 17.799 19.000 -0.969 0.000 0.815 324 A HN 0.477 nan 8.150 nan 0.000 0.449 325 S N -1.068 114.676 115.700 0.073 0.000 2.399 325 S HA -0.141 4.441 4.470 0.186 0.000 0.231 325 S C 2.058 176.747 174.600 0.148 0.000 1.022 325 S CA 1.331 59.669 58.200 0.231 0.000 0.983 325 S CB -0.269 63.014 63.200 0.138 0.000 0.803 325 S HN 0.620 nan 8.310 nan 0.000 0.480 326 R N 0.419 120.952 120.500 0.055 0.000 2.075 326 R HA -0.072 4.379 4.340 0.186 0.000 0.232 326 R C 2.530 178.974 176.300 0.239 0.000 1.126 326 R CA 1.620 57.735 56.100 0.025 0.000 0.963 326 R CB -0.459 29.677 30.300 -0.273 0.000 0.858 326 R HN 0.476 nan 8.270 nan 0.000 0.435 327 V N -0.470 119.627 119.914 0.304 0.000 2.407 327 V HA -0.134 4.097 4.120 0.186 0.000 0.245 327 V C 2.172 178.449 176.094 0.303 0.000 1.041 327 V CA 2.108 64.615 62.300 0.345 0.000 1.040 327 V CB -0.781 31.280 31.823 0.398 0.000 0.671 327 V HN 0.444 nan 8.190 nan 0.000 0.455 328 T N -1.917 112.838 114.554 0.334 0.000 2.849 328 T HA -0.239 4.222 4.350 0.186 0.000 0.270 328 T C 1.832 176.761 174.700 0.383 0.000 1.066 328 T CA 2.121 64.407 62.100 0.310 0.000 1.130 328 T CB -0.607 68.343 68.868 0.138 0.000 0.864 328 T HN 0.458 nan 8.240 nan 0.000 0.481 329 M N 0.758 120.547 119.600 0.314 0.000 2.200 329 M HA 0.190 4.781 4.480 0.186 0.000 0.265 329 M C 1.762 178.138 176.300 0.127 0.000 1.066 329 M CA 0.781 56.227 55.300 0.244 0.000 1.127 329 M CB -0.549 32.155 32.600 0.173 0.000 1.379 329 M HN 0.153 nan 8.290 nan 0.000 0.420 330 I N 0.199 120.851 120.570 0.135 0.000 2.076 330 I HA -0.322 3.960 4.170 0.186 0.000 0.237 330 I C 2.532 178.619 176.117 -0.049 0.000 1.059 330 I CA 1.788 63.115 61.300 0.046 0.000 1.317 330 I CB -1.529 36.510 38.000 0.065 0.000 1.037 330 I HN 0.398 nan 8.210 nan 0.000 0.398 331 I N 0.661 121.235 120.570 0.006 0.000 2.185 331 I HA -0.314 3.967 4.170 0.186 0.000 0.246 331 I C 2.368 178.400 176.117 -0.142 0.000 1.088 331 I CA 1.593 62.857 61.300 -0.060 0.000 1.347 331 I CB -0.073 37.998 38.000 0.120 0.000 1.041 331 I HN 0.219 nan 8.210 nan 0.000 0.415 332 L N 0.735 121.966 121.223 0.014 0.000 2.291 332 L HA -0.093 4.358 4.340 0.186 0.000 0.214 332 L C 1.985 178.737 176.870 -0.198 0.000 1.120 332 L CA 2.331 57.149 54.840 -0.037 0.000 0.799 332 L CB -0.970 40.972 42.059 -0.194 0.000 0.925 332 L HN 0.598 nan 8.230 nan 0.000 0.446 333 T N -5.733 108.678 114.554 -0.238 0.000 3.004 333 T HA 0.247 4.709 4.350 0.186 0.000 0.266 333 T C 1.295 175.819 174.700 -0.293 0.000 0.986 333 T CA 0.440 62.400 62.100 -0.233 0.000 0.902 333 T CB 0.309 69.098 68.868 -0.132 0.000 1.118 333 T HN 0.360 nan 8.240 nan 0.000 0.522 334 G N 1.755 110.327 108.800 -0.380 0.000 2.225 334 G HA2 -0.295 3.776 3.960 0.186 0.000 0.267 334 G HA3 -0.295 3.776 3.960 0.186 0.000 0.267 334 G C -0.156 174.627 174.900 -0.194 0.000 1.024 334 G CA 0.516 45.409 45.100 -0.345 0.000 0.784 334 G HN 0.834 nan 8.290 nan 0.000 0.507 335 N N -1.485 117.129 118.700 -0.144 0.000 2.457 335 N HA 0.700 5.552 4.740 0.186 0.000 0.290 335 N C 0.132 175.615 175.510 -0.046 0.000 1.232 335 N CA -1.125 51.875 53.050 -0.084 0.000 0.852 335 N CB 1.076 39.523 38.487 -0.066 0.000 1.313 335 N HN 0.064 nan 8.380 nan 0.000 0.522 336 L N 1.358 122.569 121.223 -0.021 0.000 3.333 336 L HA 0.303 4.754 4.340 0.186 0.000 0.299 336 L C 0.864 177.780 176.870 0.077 0.000 1.256 336 L CA 0.233 55.083 54.840 0.016 0.000 1.037 336 L CB 0.179 42.209 42.059 -0.049 0.000 1.423 336 L HN 0.635 nan 8.230 nan 0.000 0.605 337 E N -1.188 119.039 120.200 0.045 0.000 2.347 337 E HA -0.155 4.307 4.350 0.186 0.000 0.196 337 E C 1.934 178.568 176.600 0.056 0.000 1.008 337 E CA 0.907 57.329 56.400 0.037 0.000 0.852 337 E CB 0.197 29.896 29.700 -0.000 0.000 0.783 337 E HN 0.442 nan 8.360 nan 0.000 0.505 338 S N -0.120 115.638 115.700 0.097 0.000 2.419 338 S HA -0.166 4.415 4.470 0.186 0.000 0.235 338 S C 1.291 175.884 174.600 -0.011 0.000 1.019 338 S CA 1.017 59.253 58.200 0.061 0.000 0.982 338 S CB -0.074 63.201 63.200 0.124 0.000 0.789 338 S HN 0.319 nan 8.310 nan 0.000 0.490 339 Y N 0.519 120.804 120.300 -0.024 0.000 2.457 339 Y HA 0.378 5.039 4.550 0.186 0.000 0.263 339 Y C 1.840 177.716 175.900 -0.041 0.000 1.164 339 Y CA -0.088 57.994 58.100 -0.030 0.000 1.274 339 Y CB 0.243 38.690 38.460 -0.021 0.000 1.097 339 Y HN 0.356 nan 8.280 nan 0.000 0.523 340 G N -0.244 108.597 108.800 0.069 0.000 2.175 340 G HA2 -0.245 3.827 3.960 0.186 0.000 0.244 340 G HA3 -0.245 3.827 3.960 0.186 0.000 0.244 340 G C -0.273 174.646 174.900 0.031 0.000 0.982 340 G CA 0.126 45.238 45.100 0.020 0.000 0.641 340 G HN 0.064 nan 8.290 nan 0.000 0.527 341 V N 1.606 121.553 119.914 0.055 0.000 2.339 341 V HA 0.358 4.590 4.120 0.186 0.000 0.261 341 V C 0.700 176.799 176.094 0.008 0.000 1.058 341 V CA -0.385 61.931 62.300 0.027 0.000 0.897 341 V CB 1.114 32.949 31.823 0.020 0.000 1.052 341 V HN 0.403 nan 8.190 nan 0.000 0.480 342 E N 2.471 122.670 120.200 -0.001 0.000 2.344 342 E HA 0.148 4.610 4.350 0.186 0.000 0.270 342 E C -0.067 176.524 176.600 -0.015 0.000 1.021 342 E CA -0.245 56.150 56.400 -0.009 0.000 0.887 342 E CB 1.860 31.554 29.700 -0.011 0.000 0.997 342 E HN 0.514 nan 8.360 nan 0.000 0.429 343 V N 6.490 126.392 119.914 -0.020 0.000 2.149 343 V HA 0.026 4.258 4.120 0.186 0.000 0.245 343 V C -0.140 175.942 176.094 -0.021 0.000 1.349 343 V CA -0.187 62.098 62.300 -0.024 0.000 1.289 343 V CB -0.656 31.149 31.823 -0.031 0.000 1.401 343 V HN 0.497 nan 8.190 nan 0.000 0.501 344 K N 3.177 123.567 120.400 -0.017 0.000 2.286 344 K HA 0.312 4.744 4.320 0.186 0.000 0.256 344 K C 0.363 176.955 176.600 -0.015 0.000 0.999 344 K CA 0.156 56.434 56.287 -0.014 0.000 0.908 344 K CB 0.946 33.439 32.500 -0.011 0.000 0.981 344 K HN 0.631 nan 8.250 nan 0.000 0.500 363 P HA 0.137 nan 4.420 nan 0.000 0.221 363 P C 1.038 178.339 177.300 0.002 0.000 1.150 363 P CA 1.665 64.767 63.100 0.002 0.000 0.800 363 P CB 0.008 31.709 31.700 0.002 0.000 0.787 364 A N -0.900 121.921 122.820 0.002 0.000 2.235 364 A HA -0.026 4.406 4.320 0.186 0.000 0.208 364 A C 0.608 178.193 177.584 0.002 0.000 1.172 364 A CA 0.423 52.461 52.037 0.002 0.000 0.786 364 A CB -0.967 18.034 19.000 0.001 0.000 0.804 364 A HN 0.100 nan 8.150 nan 0.000 0.479 365 D N 1.484 121.885 120.400 0.002 0.000 2.378 365 D HA 0.251 5.002 4.640 0.186 0.000 0.238 365 D C -1.833 174.468 176.300 0.002 0.000 1.180 365 D CA -0.959 53.042 54.000 0.002 0.000 0.895 365 D CB 0.210 41.011 40.800 0.002 0.000 1.192 365 D HN 0.255 nan 8.370 nan 0.000 0.438 366 P HA 0.174 nan 4.420 nan 0.000 0.271 366 P C -2.486 174.815 177.300 0.002 0.000 1.244 366 P CA -0.872 62.229 63.100 0.001 0.000 0.793 366 P CB -0.382 31.319 31.700 0.001 0.000 0.984 367 P HA 0.288 nan 4.420 nan 0.000 0.282 367 P C -0.115 177.186 177.300 0.002 0.000 1.249 367 P CA -0.450 62.651 63.100 0.003 0.000 0.806 367 P CB 0.701 32.402 31.700 0.003 0.000 0.984 368 I N 1.000 121.572 120.570 0.003 0.000 2.363 368 I HA 0.321 4.603 4.170 0.186 0.000 0.292 368 I C -1.758 174.361 176.117 0.002 0.000 1.075 368 I CA -2.264 59.038 61.300 0.003 0.000 1.333 368 I CB 0.134 38.137 38.000 0.004 0.000 1.415 368 I HN 0.163 nan 8.210 nan 0.000 0.502 369 P HA 0.085 nan 4.420 nan 0.000 0.268 369 P C -1.135 176.164 177.300 -0.001 0.000 1.204 369 P CA -0.068 63.031 63.100 -0.002 0.000 0.768 369 P CB 0.841 32.539 31.700 -0.004 0.000 0.842 370 N N 2.117 120.816 118.700 -0.001 0.000 2.626 370 N HA 0.112 4.964 4.740 0.186 0.000 0.249 370 N C -0.848 174.659 175.510 -0.005 0.000 1.021 370 N CA -0.518 52.532 53.050 -0.000 0.000 0.886 370 N CB 0.369 38.860 38.487 0.007 0.000 1.149 370 N HN 0.148 nan 8.380 nan 0.000 0.517 371 D N 1.263 121.657 120.400 -0.010 0.000 2.889 371 D HA 0.021 4.773 4.640 0.186 0.000 0.243 371 D C -0.067 176.223 176.300 -0.017 0.000 1.270 371 D CA 0.187 54.176 54.000 -0.018 0.000 0.838 371 D CB 0.481 41.268 40.800 -0.022 0.000 1.040 371 D HN 0.270 nan 8.370 nan 0.000 0.480 372 S N 0.130 115.824 115.700 -0.011 0.000 2.523 372 S HA 0.161 4.743 4.470 0.186 0.000 0.275 372 S C 1.378 175.968 174.600 -0.017 0.000 1.281 372 S CA -0.592 57.602 58.200 -0.010 0.000 1.050 372 S CB 1.309 64.509 63.200 -0.001 0.000 0.937 372 S HN 0.099 nan 8.310 nan 0.000 0.492 373 R N 3.880 124.367 120.500 -0.021 0.000 2.148 373 R HA 0.124 4.575 4.340 0.186 0.000 0.227 373 R C 0.449 176.724 176.300 -0.041 0.000 1.103 373 R CA 1.032 57.114 56.100 -0.030 0.000 0.983 373 R CB -0.196 30.088 30.300 -0.026 0.000 0.874 373 R HN 0.658 nan 8.270 nan 0.000 0.451 374 I N 2.050 122.598 120.570 -0.036 0.000 2.379 374 I HA -0.064 4.218 4.170 0.186 0.000 0.290 374 I C 1.389 177.479 176.117 -0.046 0.000 1.063 374 I CA 0.129 61.394 61.300 -0.057 0.000 1.351 374 I CB 0.750 38.727 38.000 -0.039 0.000 1.410 374 I HN 0.287 nan 8.210 nan 0.000 0.505 375 L N 7.302 128.470 121.223 -0.091 0.000 2.044 375 L HA -0.032 4.420 4.340 0.186 0.000 0.205 375 L C 0.249 177.187 176.870 0.112 0.000 1.075 375 L CA 1.365 56.197 54.840 -0.014 0.000 0.747 375 L CB 0.230 42.258 42.059 -0.052 0.000 0.903 375 L HN 0.693 nan 8.230 nan 0.000 0.435 376 F N -2.315 117.631 119.950 -0.007 0.000 2.842 376 F HA 0.512 5.151 4.527 0.186 0.000 0.319 376 F C -1.095 174.703 175.800 -0.003 0.000 1.159 376 F CA -1.617 56.381 58.000 -0.003 0.000 0.902 376 F CB 1.008 40.006 39.000 -0.004 0.000 1.311 376 F HN -0.311 nan 8.300 nan 0.000 0.453 377 K N 1.254 121.819 120.400 0.275 0.000 2.543 377 K HA 0.247 4.678 4.320 0.186 0.000 0.255 377 K C -1.393 175.341 176.600 0.224 0.000 0.934 377 K CA -0.596 55.771 56.287 0.134 0.000 0.810 377 K CB 2.322 34.843 32.500 0.035 0.000 1.315 377 K HN 0.923 nan 8.250 nan 0.000 0.433 378 E N 4.515 124.830 120.200 0.191 0.000 2.694 378 E HA 0.004 4.465 4.350 0.186 0.000 0.250 378 E C -2.138 174.542 176.600 0.132 0.000 0.963 378 E CA -1.118 55.384 56.400 0.169 0.000 0.949 378 E CB 0.392 30.178 29.700 0.142 0.000 0.911 378 E HN 0.230 nan 8.360 nan 0.000 0.500 379 P HA -0.080 nan 4.420 nan 0.000 0.267 379 P C -0.618 176.743 177.300 0.102 0.000 1.200 379 P CA -0.222 62.942 63.100 0.106 0.000 0.772 379 P CB 0.594 32.354 31.700 0.099 0.000 0.855 380 V N 0.014 119.973 119.914 0.076 0.000 3.264 380 V HA 0.274 4.506 4.120 0.186 0.000 0.304 380 V C 0.590 176.713 176.094 0.050 0.000 1.086 380 V CA -0.604 61.725 62.300 0.048 0.000 1.090 380 V CB 0.656 32.504 31.823 0.041 0.000 1.112 380 V HN 0.570 nan 8.190 nan 0.000 0.472 381 S N 1.271 116.971 115.700 -0.000 0.000 2.537 381 S HA 0.083 4.665 4.470 0.186 0.000 0.286 381 S C 1.142 175.784 174.600 0.070 0.000 1.299 381 S CA 0.092 58.295 58.200 0.005 0.000 1.067 381 S CB 0.328 63.481 63.200 -0.078 0.000 0.864 381 S HN 1.723 nan 8.310 nan 0.000 0.494 382 S N 4.564 120.324 115.700 0.098 0.000 2.634 382 S HA 0.100 4.682 4.470 0.186 0.000 0.221 382 S C 0.158 174.840 174.600 0.138 0.000 0.952 382 S CA -0.559 57.710 58.200 0.114 0.000 0.930 382 S CB -0.486 62.765 63.200 0.084 0.000 0.780 382 S HN 0.775 nan 8.310 nan 0.000 0.498 383 Y N 2.765 123.090 120.300 0.041 0.000 2.712 383 Y HA 0.238 4.900 4.550 0.186 0.000 0.333 383 Y C 0.714 176.723 175.900 0.181 0.000 1.225 383 Y CA 0.387 58.525 58.100 0.062 0.000 1.499 383 Y CB 0.328 38.781 38.460 -0.012 0.000 1.288 383 Y HN 0.206 nan 8.280 nan 0.000 0.575 384 K N 4.171 124.434 120.400 -0.229 0.000 3.308 384 K HA 0.172 4.603 4.320 0.186 0.000 0.160 384 K C 0.057 176.510 176.600 -0.245 0.000 1.001 384 K CA 0.113 56.390 56.287 -0.017 0.000 1.001 384 K CB 0.095 32.613 32.500 0.030 0.000 0.660 384 K HN 0.871 nan 8.250 nan 0.000 0.399 385 G N 0.805 109.146 108.800 -0.765 0.000 2.636 385 G HA2 0.250 4.321 3.960 0.186 0.000 0.246 385 G HA3 0.250 4.321 3.960 0.186 0.000 0.246 385 G C -0.530 174.351 174.900 -0.031 0.000 1.216 385 G CA 0.328 45.172 45.100 -0.426 0.000 0.854 385 G HN 0.111 nan 8.290 nan 0.000 0.572 386 E N -1.307 118.938 120.200 0.075 0.000 2.321 386 E HA 0.326 4.788 4.350 0.186 0.000 0.278 386 E C -1.445 175.264 176.600 0.182 0.000 0.902 386 E CA -0.757 55.749 56.400 0.177 0.000 0.758 386 E CB 1.532 31.360 29.700 0.212 0.000 1.213 386 E HN 0.471 nan 8.360 nan 0.000 0.426 387 Y N 5.210 125.517 120.300 0.011 0.000 2.497 387 Y HA 0.307 4.969 4.550 0.186 0.000 0.334 387 Y C -1.458 174.282 175.900 -0.268 0.000 1.199 387 Y CA -1.070 56.971 58.100 -0.099 0.000 1.425 387 Y CB 0.996 39.424 38.460 -0.054 0.000 1.291 387 Y HN 0.386 nan 8.280 nan 0.000 0.562 388 P HA 0.107 nan 4.420 nan 0.000 0.250 388 P C -0.647 176.165 177.300 -0.813 0.000 1.808 388 P CA 0.167 62.514 63.100 -1.253 0.000 1.117 388 P CB -0.138 30.790 31.700 -1.287 0.000 1.602 389 Y N -0.781 119.322 120.300 -0.327 0.000 2.490 389 Y HA 0.048 4.710 4.550 0.186 0.000 0.285 389 Y C 1.534 177.089 175.900 -0.575 0.000 1.117 389 Y CA -0.070 57.839 58.100 -0.319 0.000 1.262 389 Y CB -0.316 38.057 38.460 -0.144 0.000 1.043 389 Y HN -0.191 nan 8.280 nan 0.000 0.553 390 V N 2.298 122.004 119.914 -0.346 0.000 2.614 390 V HA 0.044 4.276 4.120 0.186 0.000 0.291 390 V C -0.323 175.471 176.094 -0.499 0.000 1.049 390 V CA -0.363 61.760 62.300 -0.295 0.000 1.038 390 V CB 0.383 32.173 31.823 -0.056 0.000 0.980 390 V HN 0.275 nan 8.190 nan 0.000 0.481 391 H N 2.442 121.573 119.070 0.101 0.000 2.854 391 H HA 0.389 5.057 4.556 0.186 0.000 0.275 391 H C -0.412 174.991 175.328 0.125 0.000 1.198 391 H CA -0.344 55.772 56.048 0.114 0.000 1.489 391 H CB 1.393 31.246 29.762 0.153 0.000 1.519 391 H HN 0.569 nan 8.280 nan 0.000 0.503 392 T N 3.543 118.195 114.554 0.164 0.000 2.856 392 T HA 0.361 4.823 4.350 0.186 0.000 0.283 392 T C 0.287 175.046 174.700 0.098 0.000 1.008 392 T CA -0.703 61.460 62.100 0.105 0.000 0.997 392 T CB 2.091 71.007 68.868 0.079 0.000 0.992 392 T HN 0.374 nan 8.240 nan 0.000 0.454 393 M N 3.090 122.734 119.600 0.073 0.000 2.383 393 M HA 0.555 5.147 4.480 0.186 0.000 0.325 393 M C -1.297 175.032 176.300 0.048 0.000 1.092 393 M CA -0.552 54.790 55.300 0.070 0.000 0.961 393 M CB 1.710 34.361 32.600 0.084 0.000 1.672 393 M HN 0.768 nan 8.290 nan 0.000 0.438 394 E N 3.225 123.454 120.200 0.048 0.000 2.241 394 E HA 0.396 4.857 4.350 0.186 0.000 0.263 394 E C -0.919 175.710 176.600 0.049 0.000 0.882 394 E CA -0.483 55.942 56.400 0.043 0.000 0.769 394 E CB 1.708 31.424 29.700 0.027 0.000 1.185 394 E HN 0.822 nan 8.360 nan 0.000 0.415 395 T N 0.548 115.146 114.554 0.073 0.000 2.849 395 T HA 0.110 4.572 4.350 0.186 0.000 0.284 395 T C 1.128 175.862 174.700 0.056 0.000 1.004 395 T CA -0.392 61.756 62.100 0.080 0.000 1.021 395 T CB 1.509 70.472 68.868 0.157 0.000 1.013 395 T HN 0.703 nan 8.240 nan 0.000 0.527 396 E N 0.508 120.740 120.200 0.053 0.000 2.171 396 E HA -0.219 4.243 4.350 0.186 0.000 0.197 396 E C 1.815 178.451 176.600 0.061 0.000 0.997 396 E CA 1.576 58.013 56.400 0.061 0.000 0.810 396 E CB -0.268 29.473 29.700 0.069 0.000 0.738 396 E HN 0.777 nan 8.360 nan 0.000 0.467 397 S N -1.488 114.229 115.700 0.029 0.000 2.575 397 S HA 0.220 4.802 4.470 0.186 0.000 0.215 397 S C 1.140 175.655 174.600 -0.142 0.000 0.966 397 S CA 0.565 58.740 58.200 -0.041 0.000 0.911 397 S CB 0.643 63.807 63.200 -0.059 0.000 0.780 397 S HN 0.496 nan 8.310 nan 0.000 0.514 398 G N 0.778 109.515 108.800 -0.105 0.000 2.148 398 G HA2 -0.156 3.915 3.960 0.186 0.000 0.203 398 G HA3 -0.156 3.915 3.960 0.186 0.000 0.203 398 G C -0.189 174.610 174.900 -0.170 0.000 0.993 398 G CA -0.229 44.791 45.100 -0.133 0.000 0.661 398 G HN 0.619 nan 8.290 nan 0.000 0.518 399 H N -0.095 118.933 119.070 -0.071 0.000 2.683 399 H HA 0.542 5.210 4.556 0.186 0.000 0.339 399 H C 0.464 175.768 175.328 -0.039 0.000 1.081 399 H CA 0.414 56.421 56.048 -0.069 0.000 1.432 399 H CB 0.947 30.678 29.762 -0.050 0.000 1.462 399 H HN 0.280 nan 8.280 nan 0.000 0.557 400 I N 2.810 123.429 120.570 0.082 0.000 2.499 400 I HA 0.167 4.449 4.170 0.186 0.000 0.288 400 I C -0.280 175.811 176.117 -0.044 0.000 1.048 400 I CA -0.439 60.868 61.300 0.012 0.000 1.062 400 I CB 2.269 40.253 38.000 -0.027 0.000 1.238 400 I HN 0.365 nan 8.210 nan 0.000 0.426 401 Q N 5.957 125.714 119.800 -0.071 0.000 2.310 401 Q HA 0.463 4.914 4.340 0.186 0.000 0.270 401 Q C -1.465 174.381 176.000 -0.257 0.000 1.025 401 Q CA -0.603 55.078 55.803 -0.203 0.000 0.772 401 Q CB 2.133 30.805 28.738 -0.111 0.000 1.253 401 Q HN 0.585 nan 8.270 nan 0.000 0.450 402 E N 3.619 123.544 120.200 -0.458 0.000 2.199 402 E HA 0.335 4.796 4.350 0.186 0.000 0.265 402 E C -1.389 174.981 176.600 -0.384 0.000 0.882 402 E CA -0.474 55.744 56.400 -0.303 0.000 0.759 402 E CB 1.605 31.212 29.700 -0.156 0.000 1.148 402 E HN 0.469 nan 8.360 nan 0.000 0.412 403 F N 2.027 122.080 119.950 0.172 0.000 2.359 403 F HA 0.170 4.809 4.527 0.186 0.000 0.370 403 F C 0.056 175.979 175.800 0.204 0.000 1.077 403 F CA -0.872 57.265 58.000 0.228 0.000 1.136 403 F CB 1.001 40.135 39.000 0.222 0.000 1.387 403 F HN 0.313 nan 8.300 nan 0.000 0.468 404 D N 2.396 122.939 120.400 0.238 0.000 2.347 404 D HA 0.110 4.862 4.640 0.186 0.000 0.235 404 D C 0.336 176.707 176.300 0.118 0.000 1.149 404 D CA -0.058 54.006 54.000 0.108 0.000 0.850 404 D CB 0.841 41.631 40.800 -0.017 0.000 1.061 404 D HN 0.362 nan 8.370 nan 0.000 0.487 405 D N 2.085 122.566 120.400 0.136 0.000 2.328 405 D HA -0.004 4.748 4.640 0.186 0.000 0.221 405 D C 0.046 176.324 176.300 -0.036 0.000 1.072 405 D CA 0.210 54.278 54.000 0.113 0.000 0.850 405 D CB 0.044 40.989 40.800 0.242 0.000 0.922 405 D HN 0.326 nan 8.370 nan 0.000 0.516 406 T N 3.548 118.076 114.554 -0.044 0.000 2.738 406 T HA 0.031 4.492 4.350 0.186 0.000 0.277 406 T C -2.379 172.173 174.700 -0.247 0.000 0.981 406 T CA -0.776 61.224 62.100 -0.167 0.000 1.211 406 T CB 0.487 69.306 68.868 -0.082 0.000 0.932 406 T HN 0.002 nan 8.240 nan 0.000 0.522 407 P HA 0.124 nan 4.420 nan 0.000 0.264 407 P C 1.204 178.411 177.300 -0.156 0.000 1.183 407 P CA 0.927 63.863 63.100 -0.274 0.000 0.763 407 P CB 0.261 31.757 31.700 -0.340 0.000 0.807 408 G N 2.367 111.107 108.800 -0.100 0.000 2.377 408 G HA2 -0.263 3.809 3.960 0.186 0.000 0.250 408 G HA3 -0.263 3.809 3.960 0.186 0.000 0.250 408 G C 0.446 175.317 174.900 -0.049 0.000 1.039 408 G CA -0.051 45.012 45.100 -0.062 0.000 0.625 408 G HN 0.556 nan 8.290 nan 0.000 0.526 409 Q N 1.082 120.842 119.800 -0.066 0.000 2.324 409 Q HA 0.368 4.820 4.340 0.186 0.000 0.373 409 Q C -0.361 175.607 176.000 -0.053 0.000 0.909 409 Q CA -0.071 55.699 55.803 -0.055 0.000 1.135 409 Q CB 0.742 29.437 28.738 -0.072 0.000 1.313 409 Q HN 0.684 nan 8.270 nan 0.000 0.417 410 E N 2.196 122.379 120.200 -0.028 0.000 2.376 410 E HA 0.208 4.669 4.350 0.186 0.000 0.266 410 E C 0.197 176.819 176.600 0.038 0.000 1.009 410 E CA 0.226 56.630 56.400 0.007 0.000 0.902 410 E CB 0.567 30.281 29.700 0.023 0.000 0.972 410 E HN 0.240 nan 8.360 nan 0.000 0.439 411 R N 1.526 122.064 120.500 0.062 0.000 2.716 411 R HA 0.561 5.012 4.340 0.186 0.000 0.271 411 R C -1.671 174.721 176.300 0.153 0.000 1.028 411 R CA -1.092 55.064 56.100 0.093 0.000 0.883 411 R CB 0.901 31.223 30.300 0.037 0.000 1.250 411 R HN 0.505 nan 8.270 nan 0.000 0.465 412 Y N 1.184 121.501 120.300 0.028 0.000 2.442 412 Y HA 0.646 5.308 4.550 0.186 0.000 0.344 412 Y C -1.246 174.640 175.900 -0.024 0.000 0.976 412 Y CA -0.911 57.172 58.100 -0.029 0.000 1.040 412 Y CB 2.212 40.678 38.460 0.011 0.000 1.228 412 Y HN 0.850 nan 8.280 nan 0.000 0.451 413 R N 5.938 125.840 120.500 -0.997 0.000 2.535 413 R HA 0.601 5.053 4.340 0.186 0.000 0.274 413 R C -2.665 173.157 176.300 -0.796 0.000 1.090 413 R CA -0.867 54.829 56.100 -0.672 0.000 0.930 413 R CB 1.496 31.659 30.300 -0.228 0.000 1.223 413 R HN 0.740 nan 8.270 nan 0.000 0.441 414 L N 4.996 125.946 121.223 -0.456 0.000 2.325 414 L HA 0.598 5.050 4.340 0.186 0.000 0.281 414 L C -1.612 175.269 176.870 0.018 0.000 1.004 414 L CA -0.523 54.200 54.840 -0.196 0.000 0.823 414 L CB 2.072 44.124 42.059 -0.012 0.000 1.236 414 L HN 0.416 nan 8.230 nan 0.000 0.415 415 V N 4.130 124.071 119.914 0.045 0.000 2.604 415 V HA 0.428 4.659 4.120 0.186 0.000 0.305 415 V C -0.746 175.452 176.094 0.174 0.000 1.043 415 V CA -0.748 61.622 62.300 0.117 0.000 0.888 415 V CB 1.569 33.402 31.823 0.017 0.000 0.995 415 V HN 0.861 nan 8.190 nan 0.000 0.429 416 H N 5.853 124.995 119.070 0.120 0.000 2.472 416 H HA 0.404 5.072 4.556 0.186 0.000 0.335 416 H C -1.993 173.329 175.328 -0.010 0.000 1.136 416 H CA -1.603 54.513 56.048 0.113 0.000 1.264 416 H CB 2.363 32.203 29.762 0.131 0.000 1.486 416 H HN 0.345 nan 8.280 nan 0.000 0.517 417 P HA -0.198 nan 4.420 nan 0.000 0.217 417 P C 1.337 178.639 177.300 0.003 0.000 1.151 417 P CA 1.697 64.644 63.100 -0.256 0.000 0.849 417 P CB 0.121 31.564 31.700 -0.429 0.000 0.787 418 T N -2.543 112.180 114.554 0.282 0.000 2.720 418 T HA -0.050 4.412 4.350 0.186 0.000 0.268 418 T C 1.522 176.282 174.700 0.099 0.000 1.037 418 T CA 2.077 64.331 62.100 0.256 0.000 1.144 418 T CB -0.779 68.293 68.868 0.339 0.000 0.864 418 T HN 0.362 nan 8.240 nan 0.000 0.444 419 G N -0.701 108.182 108.800 0.138 0.000 2.485 419 G HA2 -0.141 3.931 3.960 0.186 0.000 0.181 419 G HA3 -0.141 3.931 3.960 0.186 0.000 0.181 419 G C 0.348 175.361 174.900 0.187 0.000 0.999 419 G CA 0.054 45.205 45.100 0.086 0.000 0.721 419 G HN 0.469 nan 8.290 nan 0.000 0.486 420 T N 2.179 116.834 114.554 0.169 0.000 2.817 420 T HA 0.522 4.983 4.350 0.186 0.000 0.295 420 T C -0.186 174.657 174.700 0.237 0.000 0.958 420 T CA 1.052 63.235 62.100 0.138 0.000 1.157 420 T CB 0.043 68.918 68.868 0.011 0.000 0.898 420 T HN 0.826 nan 8.240 nan 0.000 0.536 421 Y N 0.932 121.251 120.300 0.032 0.000 2.715 421 Y HA 0.813 5.475 4.550 0.186 0.000 0.331 421 Y C -0.800 175.118 175.900 0.030 0.000 1.197 421 Y CA -1.767 56.351 58.100 0.030 0.000 1.079 421 Y CB 1.547 40.009 38.460 0.004 0.000 1.298 421 Y HN 0.493 nan 8.280 nan 0.000 0.477 422 E N 0.858 121.076 120.200 0.031 0.000 2.321 422 E HA 0.387 4.849 4.350 0.186 0.000 0.278 422 E C -2.043 174.642 176.600 0.140 0.000 0.902 422 E CA -0.670 55.712 56.400 -0.029 0.000 0.758 422 E CB 2.207 31.945 29.700 0.062 0.000 1.213 422 E HN 0.765 nan 8.360 nan 0.000 0.426 423 E N 3.085 123.372 120.200 0.144 0.000 2.331 423 E HA 0.496 4.958 4.350 0.186 0.000 0.275 423 E C -1.799 174.908 176.600 0.178 0.000 0.895 423 E CA -0.850 55.660 56.400 0.184 0.000 0.753 423 E CB 2.107 31.954 29.700 0.246 0.000 1.216 423 E HN 0.252 nan 8.360 nan 0.000 0.434 424 V N 3.564 123.606 119.914 0.213 0.000 2.443 424 V HA 0.281 4.512 4.120 0.186 0.000 0.293 424 V C 0.112 176.288 176.094 0.137 0.000 1.021 424 V CA -0.622 61.780 62.300 0.170 0.000 0.848 424 V CB 1.204 33.142 31.823 0.192 0.000 0.998 424 V HN 0.774 nan 8.190 nan 0.000 0.424 425 S N 6.335 122.094 115.700 0.098 0.000 2.645 425 S HA 0.410 4.992 4.470 0.186 0.000 0.266 425 S C -1.222 173.415 174.600 0.063 0.000 1.258 425 S CA -1.053 57.193 58.200 0.077 0.000 0.990 425 S CB 1.155 64.395 63.200 0.067 0.000 0.967 425 S HN 0.586 nan 8.310 nan 0.000 0.556 426 P HA -0.072 nan 4.420 nan 0.000 0.228 426 P C 1.189 178.505 177.300 0.028 0.000 1.151 426 P CA 1.218 64.337 63.100 0.032 0.000 0.770 426 P CB -0.243 31.466 31.700 0.014 0.000 0.786 427 S N -1.652 114.067 115.700 0.032 0.000 2.528 427 S HA 0.276 4.857 4.470 0.186 0.000 0.219 427 S C 1.675 176.291 174.600 0.026 0.000 0.985 427 S CA 0.695 58.910 58.200 0.025 0.000 0.914 427 S CB -0.962 62.254 63.200 0.026 0.000 0.776 427 S HN 0.284 nan 8.310 nan 0.000 0.526 428 G N 1.658 110.479 108.800 0.036 0.000 2.176 428 G HA2 -0.279 3.793 3.960 0.186 0.000 0.232 428 G HA3 -0.279 3.793 3.960 0.186 0.000 0.232 428 G C 0.110 175.030 174.900 0.034 0.000 0.986 428 G CA -0.022 45.099 45.100 0.035 0.000 0.643 428 G HN 0.973 nan 8.290 nan 0.000 0.522 429 R N 0.320 120.843 120.500 0.037 0.000 2.643 429 R HA 0.623 5.075 4.340 0.186 0.000 0.270 429 R C 0.211 176.537 176.300 0.044 0.000 1.061 429 R CA 0.034 56.153 56.100 0.032 0.000 1.107 429 R CB 0.509 30.828 30.300 0.032 0.000 0.999 429 R HN 0.457 nan 8.270 nan 0.000 0.460 430 R N 1.667 122.183 120.500 0.027 0.000 2.513 430 R HA 0.372 4.824 4.340 0.186 0.000 0.301 430 R C -1.330 174.972 176.300 0.002 0.000 0.968 430 R CA -0.494 55.625 56.100 0.031 0.000 0.872 430 R CB 1.940 32.255 30.300 0.024 0.000 1.177 430 R HN 0.825 nan 8.270 nan 0.000 0.444 431 T N 4.159 118.712 114.554 -0.000 0.000 2.807 431 T HA 0.385 4.846 4.350 0.186 0.000 0.279 431 T C -0.891 173.708 174.700 -0.167 0.000 0.993 431 T CA -0.655 61.405 62.100 -0.066 0.000 0.970 431 T CB 1.136 69.985 68.868 -0.032 0.000 0.950 431 T HN 0.445 nan 8.240 nan 0.000 0.441 432 R N 2.970 123.356 120.500 -0.190 0.000 2.371 432 R HA 0.317 4.769 4.340 0.186 0.000 0.312 432 R C -1.037 175.100 176.300 -0.272 0.000 0.980 432 R CA -0.707 55.264 56.100 -0.215 0.000 0.867 432 R CB 0.547 30.785 30.300 -0.104 0.000 1.163 432 R HN 0.306 nan 8.270 nan 0.000 0.492 433 K N 2.849 122.965 120.400 -0.473 0.000 2.265 433 K HA 0.292 4.724 4.320 0.186 0.000 0.267 433 K C -1.228 175.270 176.600 -0.170 0.000 0.994 433 K CA -0.338 55.737 56.287 -0.353 0.000 0.860 433 K CB 1.937 34.101 32.500 -0.560 0.000 1.099 433 K HN 0.501 nan 8.250 nan 0.000 0.448 434 T N 3.034 117.537 114.554 -0.086 0.000 2.833 434 T HA 0.105 4.566 4.350 0.186 0.000 0.297 434 T C 1.463 176.145 174.700 -0.030 0.000 1.015 434 T CA -0.547 61.525 62.100 -0.048 0.000 0.963 434 T CB 1.179 70.021 68.868 -0.044 0.000 0.955 434 T HN 0.415 nan 8.240 nan 0.000 0.449 435 V N 1.156 121.059 119.914 -0.018 0.000 2.548 435 V HA 0.036 4.268 4.120 0.186 0.000 0.249 435 V C 0.969 177.048 176.094 -0.025 0.000 1.055 435 V CA 1.345 63.631 62.300 -0.024 0.000 1.065 435 V CB -0.256 31.545 31.823 -0.037 0.000 0.681 435 V HN 0.698 nan 8.190 nan 0.000 0.462 436 D N 0.087 120.476 120.400 -0.018 0.000 2.384 436 D HA 0.228 4.980 4.640 0.186 0.000 0.257 436 D C 0.106 176.401 176.300 -0.008 0.000 1.226 436 D CA -0.625 53.374 54.000 -0.001 0.000 1.129 436 D CB 0.300 41.112 40.800 0.021 0.000 1.197 436 D HN 0.334 nan 8.370 nan 0.000 0.571 437 N N -0.525 118.186 118.700 0.018 0.000 2.503 437 N HA 0.371 5.222 4.740 0.186 0.000 0.267 437 N C -1.100 174.407 175.510 -0.006 0.000 1.214 437 N CA -0.255 52.787 53.050 -0.012 0.000 0.959 437 N CB 0.794 39.324 38.487 0.073 0.000 1.142 437 N HN 0.274 nan 8.380 nan 0.000 0.455 438 L N 2.484 123.618 121.223 -0.150 0.000 2.362 438 L HA 0.488 4.940 4.340 0.186 0.000 0.275 438 L C -1.818 174.902 176.870 -0.250 0.000 0.998 438 L CA -0.566 54.217 54.840 -0.096 0.000 0.820 438 L CB 0.795 42.799 42.059 -0.091 0.000 1.270 438 L HN 0.460 nan 8.230 nan 0.000 0.415 439 Y N 3.111 123.397 120.300 -0.024 0.000 2.363 439 Y HA 0.430 5.092 4.550 0.186 0.000 0.325 439 Y C -0.703 175.190 175.900 -0.011 0.000 0.984 439 Y CA -0.826 57.263 58.100 -0.019 0.000 1.248 439 Y CB 1.415 39.865 38.460 -0.017 0.000 1.116 439 Y HN 0.495 nan 8.280 nan 0.000 0.470 440 D N 4.193 124.651 120.400 0.097 0.000 2.485 440 D HA 0.346 5.098 4.640 0.186 0.000 0.229 440 D C -0.850 175.500 176.300 0.084 0.000 1.101 440 D CA -0.133 53.914 54.000 0.078 0.000 0.906 440 D CB 0.716 41.545 40.800 0.048 0.000 1.019 440 D HN 0.314 nan 8.370 nan 0.000 0.516 441 I N 1.447 122.070 120.570 0.088 0.000 2.321 441 I HA 0.224 4.505 4.170 0.186 0.000 0.291 441 I C 0.506 176.654 176.117 0.050 0.000 0.998 441 I CA -0.240 61.100 61.300 0.068 0.000 1.227 441 I CB 1.834 39.870 38.000 0.060 0.000 1.368 441 I HN 0.049 nan 8.210 nan 0.000 0.466 442 T N 3.580 118.162 114.554 0.046 0.000 2.881 442 T HA 0.390 4.852 4.350 0.186 0.000 0.291 442 T C 0.621 175.329 174.700 0.014 0.000 0.990 442 T CA -0.600 61.519 62.100 0.032 0.000 0.976 442 T CB 0.547 69.441 68.868 0.044 0.000 0.970 442 T HN 0.646 nan 8.240 nan 0.000 0.438 443 N N 2.647 121.349 118.700 0.003 0.000 2.216 443 N HA 0.103 4.955 4.740 0.186 0.000 0.183 443 N C 1.441 176.944 175.510 -0.013 0.000 1.017 443 N CA 0.811 53.858 53.050 -0.005 0.000 0.861 443 N CB 0.093 38.575 38.487 -0.007 0.000 0.986 443 N HN 0.734 nan 8.380 nan 0.000 0.428 444 A N 0.959 123.768 122.820 -0.018 0.000 3.591 444 A HA 0.225 4.657 4.320 0.186 0.000 0.163 444 A C -0.285 177.280 177.584 -0.033 0.000 1.876 444 A CA -0.059 51.962 52.037 -0.027 0.000 1.380 444 A CB -0.219 18.761 19.000 -0.033 0.000 1.777 444 A HN -0.041 nan 8.150 nan 0.000 0.720 445 D N -0.459 119.911 120.400 -0.051 0.000 2.283 445 D HA 0.491 5.243 4.640 0.186 0.000 0.248 445 D C -0.073 176.152 176.300 -0.125 0.000 1.072 445 D CA 0.561 54.520 54.000 -0.069 0.000 0.929 445 D CB 1.153 41.908 40.800 -0.076 0.000 1.182 445 D HN 0.588 nan 8.370 nan 0.000 0.433 446 G N 1.282 109.992 108.800 -0.150 0.000 2.522 446 G HA2 0.281 4.352 3.960 0.186 0.000 0.318 446 G HA3 0.281 4.352 3.960 0.186 0.000 0.318 446 G C -0.470 173.998 174.900 -0.720 0.000 1.192 446 G CA -0.715 44.145 45.100 -0.400 0.000 0.988 446 G HN 0.289 nan 8.290 nan 0.000 0.480 447 N N 2.263 120.448 118.700 -0.857 0.000 2.501 447 N HA 0.364 5.215 4.740 0.186 0.000 0.245 447 N C -1.332 173.729 175.510 -0.747 0.000 0.974 447 N CA -0.197 52.496 53.050 -0.595 0.000 0.941 447 N CB 1.683 39.989 38.487 -0.301 0.000 1.122 447 N HN 0.241 nan 8.380 nan 0.000 0.507 448 F N 1.524 121.466 119.950 -0.013 0.000 2.467 448 F HA 0.480 5.119 4.527 0.186 0.000 0.336 448 F C 0.237 176.027 175.800 -0.016 0.000 1.123 448 F CA -0.806 57.185 58.000 -0.015 0.000 0.964 448 F CB 1.788 40.780 39.000 -0.013 0.000 1.136 448 F HN 0.156 nan 8.300 nan 0.000 0.447 449 L N 4.416 125.711 121.223 0.121 0.000 2.406 449 L HA 0.652 5.103 4.340 0.186 0.000 0.270 449 L C -1.552 175.351 176.870 0.055 0.000 0.982 449 L CA -0.636 54.243 54.840 0.065 0.000 0.843 449 L CB 1.412 43.484 42.059 0.022 0.000 1.225 449 L HN 0.407 nan 8.230 nan 0.000 0.412 450 V N 5.343 125.284 119.914 0.045 0.000 2.293 450 V HA 0.318 4.550 4.120 0.186 0.000 0.275 450 V C 1.009 177.111 176.094 0.013 0.000 1.021 450 V CA 0.199 62.512 62.300 0.021 0.000 0.815 450 V CB 1.144 32.972 31.823 0.009 0.000 1.025 450 V HN 0.957 nan 8.190 nan 0.000 0.448 451 A N 4.264 127.089 122.820 0.008 0.000 1.898 451 A HA 0.142 4.573 4.320 0.186 0.000 0.216 451 A C 1.721 179.307 177.584 0.003 0.000 1.181 451 A CA 1.567 53.607 52.037 0.006 0.000 0.620 451 A CB -0.525 18.477 19.000 0.003 0.000 0.819 451 A HN 0.835 nan 8.150 nan 0.000 0.442 452 G N -0.547 108.251 108.800 -0.002 0.000 2.679 452 G HA2 0.357 4.429 3.960 0.186 0.000 0.202 452 G HA3 0.357 4.429 3.960 0.186 0.000 0.202 452 G C -0.668 174.230 174.900 -0.004 0.000 1.566 452 G CA -0.087 45.011 45.100 -0.004 0.000 1.074 452 G HN 0.312 nan 8.290 nan 0.000 0.564 453 D N 0.043 120.438 120.400 -0.007 0.000 2.225 453 D HA 0.322 5.073 4.640 0.186 0.000 0.249 453 D C -0.234 176.055 176.300 -0.019 0.000 1.052 453 D CA 0.016 54.014 54.000 -0.004 0.000 0.909 453 D CB 1.975 42.778 40.800 0.004 0.000 1.186 453 D HN 0.167 nan 8.370 nan 0.000 0.431 454 K N 1.978 122.372 120.400 -0.011 0.000 2.339 454 K HA 0.281 4.712 4.320 0.186 0.000 0.264 454 K C -0.912 175.684 176.600 -0.006 0.000 0.986 454 K CA -0.590 55.682 56.287 -0.026 0.000 0.866 454 K CB 0.726 33.218 32.500 -0.014 0.000 1.103 454 K HN 0.162 nan 8.250 nan 0.000 0.441 455 K N 2.077 122.462 120.400 -0.025 0.000 2.323 455 K HA 0.353 4.784 4.320 0.186 0.000 0.259 455 K C -1.091 175.579 176.600 0.116 0.000 0.947 455 K CA -0.545 55.788 56.287 0.076 0.000 0.819 455 K CB 2.235 34.848 32.500 0.187 0.000 1.109 455 K HN 0.409 nan 8.250 nan 0.000 0.429 456 T N 1.825 116.468 114.554 0.150 0.000 2.900 456 T HA 0.458 4.920 4.350 0.186 0.000 0.295 456 T C -1.129 173.655 174.700 0.140 0.000 1.044 456 T CA -0.880 61.308 62.100 0.146 0.000 0.995 456 T CB 1.153 70.055 68.868 0.057 0.000 1.072 456 T HN 0.402 nan 8.240 nan 0.000 0.473 457 N N 0.757 119.532 118.700 0.125 0.000 2.454 457 N HA 0.558 5.410 4.740 0.186 0.000 0.291 457 N C -1.550 173.973 175.510 0.021 0.000 1.079 457 N CA -0.351 52.727 53.050 0.046 0.000 0.893 457 N CB 1.774 40.253 38.487 -0.014 0.000 1.512 457 N HN 0.303 nan 8.380 nan 0.000 0.497 458 V N 1.888 121.805 119.914 0.006 0.000 2.378 458 V HA 0.466 4.698 4.120 0.186 0.000 0.288 458 V C 1.372 177.449 176.094 -0.028 0.000 1.016 458 V CA -0.462 61.832 62.300 -0.009 0.000 0.840 458 V CB 1.327 33.151 31.823 0.002 0.000 0.994 458 V HN 0.851 nan 8.190 nan 0.000 0.431 459 G N 3.591 112.357 108.800 -0.056 0.000 2.414 459 G HA2 0.083 4.154 3.960 0.186 0.000 0.215 459 G HA3 0.083 4.154 3.960 0.186 0.000 0.215 459 G C 0.919 175.757 174.900 -0.102 0.000 1.188 459 G CA 0.868 45.918 45.100 -0.085 0.000 0.783 459 G HN 0.848 nan 8.290 nan 0.000 0.537 460 G N -0.378 108.351 108.800 -0.119 0.000 2.829 460 G HA2 0.445 4.517 3.960 0.186 0.000 0.173 460 G HA3 0.445 4.517 3.960 0.186 0.000 0.173 460 G C -0.069 174.795 174.900 -0.060 0.000 1.476 460 G CA 0.151 45.161 45.100 -0.148 0.000 1.072 460 G HN 0.324 nan 8.290 nan 0.000 0.577 461 S N -0.618 115.051 115.700 -0.051 0.000 2.646 461 S HA 0.477 5.059 4.470 0.186 0.000 0.276 461 S C -0.437 174.160 174.600 -0.005 0.000 1.222 461 S CA -0.343 57.855 58.200 -0.004 0.000 1.014 461 S CB 1.664 64.868 63.200 0.005 0.000 0.991 461 S HN 0.519 nan 8.310 nan 0.000 0.533 462 E N 1.009 121.220 120.200 0.018 0.000 2.248 462 E HA 0.557 5.019 4.350 0.186 0.000 0.267 462 E C -1.568 175.061 176.600 0.049 0.000 0.877 462 E CA -0.458 55.962 56.400 0.033 0.000 0.759 462 E CB 0.994 30.726 29.700 0.054 0.000 1.182 462 E HN 0.483 nan 8.360 nan 0.000 0.418 463 I N 4.331 124.933 120.570 0.052 0.000 2.439 463 I HA 0.268 4.549 4.170 0.186 0.000 0.285 463 I C -1.471 174.710 176.117 0.108 0.000 1.021 463 I CA -0.816 60.520 61.300 0.060 0.000 1.091 463 I CB 1.347 39.353 38.000 0.009 0.000 1.242 463 I HN 0.540 nan 8.210 nan 0.000 0.439 464 Y N 7.431 127.751 120.300 0.034 0.000 2.331 464 Y HA 0.452 5.113 4.550 0.186 0.000 0.334 464 Y C -1.525 174.462 175.900 0.144 0.000 0.960 464 Y CA -0.709 57.429 58.100 0.064 0.000 1.130 464 Y CB 1.200 39.682 38.460 0.038 0.000 1.164 464 Y HN 0.421 nan 8.280 nan 0.000 0.458 465 Y N 5.833 126.086 120.300 -0.079 0.000 2.328 465 Y HA 0.439 5.100 4.550 0.186 0.000 0.333 465 Y C -1.125 174.775 175.900 -0.001 0.000 0.958 465 Y CA -1.954 56.148 58.100 0.004 0.000 1.167 465 Y CB 0.947 39.384 38.460 -0.037 0.000 1.151 465 Y HN 0.668 nan 8.280 nan 0.000 0.470 466 N N 6.497 125.332 118.700 0.224 0.000 2.485 466 N HA 0.240 5.092 4.740 0.186 0.000 0.243 466 N C 0.897 176.300 175.510 -0.178 0.000 0.987 466 N CA -0.219 52.858 53.050 0.045 0.000 0.940 466 N CB 0.927 39.515 38.487 0.168 0.000 1.122 466 N HN 0.698 nan 8.380 nan 0.000 0.509 467 M N 0.246 119.605 119.600 -0.401 0.000 2.460 467 M HA -0.077 4.515 4.480 0.186 0.000 0.263 467 M C 0.386 176.588 176.300 -0.164 0.000 1.071 467 M CA 1.324 56.353 55.300 -0.451 0.000 1.096 467 M CB -0.007 32.316 32.600 -0.461 0.000 1.408 467 M HN 0.585 nan 8.290 nan 0.000 0.463 468 D N -0.823 119.525 120.400 -0.087 0.000 3.389 468 D HA 0.235 4.986 4.640 0.186 0.000 0.214 468 D C -0.511 175.792 176.300 0.005 0.000 1.412 468 D CA -0.443 53.539 54.000 -0.030 0.000 1.099 468 D CB 0.551 41.333 40.800 -0.029 0.000 1.232 468 D HN -0.130 nan 8.370 nan 0.000 0.604 469 N N 0.525 119.232 118.700 0.011 0.000 2.483 469 N HA 0.308 5.159 4.740 0.186 0.000 0.269 469 N C -0.434 175.098 175.510 0.036 0.000 1.209 469 N CA 0.015 53.080 53.050 0.025 0.000 0.969 469 N CB 1.068 39.567 38.487 0.020 0.000 1.173 469 N HN 0.233 nan 8.380 nan 0.000 0.475 470 R N 1.134 121.660 120.500 0.044 0.000 2.538 470 R HA 0.472 4.924 4.340 0.186 0.000 0.292 470 R C -1.660 174.669 176.300 0.048 0.000 1.008 470 R CA -0.598 55.531 56.100 0.049 0.000 0.896 470 R CB 1.091 31.426 30.300 0.058 0.000 1.187 470 R HN 0.556 nan 8.270 nan 0.000 0.440 471 L N 3.546 124.797 121.223 0.047 0.000 2.385 471 L HA 0.521 4.973 4.340 0.186 0.000 0.273 471 L C -1.529 175.402 176.870 0.102 0.000 0.990 471 L CA -0.530 54.348 54.840 0.064 0.000 0.821 471 L CB 1.803 43.890 42.059 0.046 0.000 1.279 471 L HN 0.814 nan 8.230 nan 0.000 0.412 472 H N 3.745 122.817 119.070 0.002 0.000 2.924 472 H HA 0.349 5.017 4.556 0.186 0.000 0.333 472 H C -1.491 173.836 175.328 -0.001 0.000 0.979 472 H CA -0.647 55.399 56.048 -0.003 0.000 1.326 472 H CB 1.606 31.358 29.762 -0.016 0.000 1.600 472 H HN 0.693 nan 8.280 nan 0.000 0.520 473 Q N 5.036 124.992 119.800 0.260 0.000 2.309 473 Q HA 0.524 4.975 4.340 0.186 0.000 0.264 473 Q C -1.315 174.728 176.000 0.071 0.000 1.008 473 Q CA -0.930 54.931 55.803 0.095 0.000 0.853 473 Q CB 1.609 30.389 28.738 0.070 0.000 1.314 473 Q HN 0.644 nan 8.270 nan 0.000 0.448 474 I N 3.388 123.944 120.570 -0.023 0.000 2.468 474 I HA 0.174 4.456 4.170 0.186 0.000 0.284 474 I C -0.379 175.729 176.117 -0.015 0.000 1.038 474 I CA -0.583 60.697 61.300 -0.034 0.000 1.083 474 I CB 1.740 39.672 38.000 -0.115 0.000 1.223 474 I HN 0.689 nan 8.210 nan 0.000 0.443 475 D N 4.056 124.458 120.400 0.004 0.000 2.194 475 D HA 0.004 4.755 4.640 0.186 0.000 0.204 475 D C 1.355 177.653 176.300 -0.002 0.000 0.964 475 D CA 0.768 54.770 54.000 0.003 0.000 0.846 475 D CB 0.355 41.161 40.800 0.010 0.000 0.962 475 D HN 0.678 nan 8.370 nan 0.000 0.490 476 G N 0.193 108.992 108.800 -0.002 0.000 2.624 476 G HA2 0.303 4.375 3.960 0.186 0.000 0.217 476 G HA3 0.303 4.375 3.960 0.186 0.000 0.217 476 G C 0.089 174.982 174.900 -0.011 0.000 1.506 476 G CA 0.041 45.139 45.100 -0.003 0.000 1.072 476 G HN 0.271 nan 8.290 nan 0.000 0.568 477 S N -1.372 114.321 115.700 -0.010 0.000 2.690 477 S HA 0.529 5.111 4.470 0.186 0.000 0.291 477 S C -0.502 174.084 174.600 -0.022 0.000 1.138 477 S CA -0.763 57.428 58.200 -0.015 0.000 1.013 477 S CB 1.792 64.988 63.200 -0.007 0.000 1.053 477 S HN 0.580 nan 8.310 nan 0.000 0.539 478 N N 0.031 118.714 118.700 -0.028 0.000 2.342 478 N HA 0.530 5.382 4.740 0.186 0.000 0.293 478 N C -1.663 173.840 175.510 -0.012 0.000 1.026 478 N CA -0.275 52.753 53.050 -0.037 0.000 0.857 478 N CB 1.809 40.252 38.487 -0.073 0.000 1.256 478 N HN 0.711 nan 8.380 nan 0.000 0.484 479 T N 3.749 118.305 114.554 0.004 0.000 2.812 479 T HA 0.497 4.959 4.350 0.186 0.000 0.282 479 T C -0.476 174.255 174.700 0.052 0.000 0.990 479 T CA -0.602 61.518 62.100 0.033 0.000 0.960 479 T CB 0.605 69.498 68.868 0.040 0.000 0.948 479 T HN 0.281 nan 8.240 nan 0.000 0.438 480 I N 3.490 124.099 120.570 0.065 0.000 2.418 480 I HA 0.482 4.764 4.170 0.186 0.000 0.287 480 I C -1.032 175.160 176.117 0.124 0.000 1.008 480 I CA -0.939 60.403 61.300 0.070 0.000 1.104 480 I CB 1.307 39.318 38.000 0.018 0.000 1.264 480 I HN 0.657 nan 8.210 nan 0.000 0.438 481 F N 7.604 127.552 119.950 -0.003 0.000 2.496 481 F HA 0.560 5.199 4.527 0.186 0.000 0.341 481 F C -0.657 175.145 175.800 0.004 0.000 1.134 481 F CA -0.823 57.176 58.000 -0.001 0.000 0.968 481 F CB 1.483 40.482 39.000 -0.002 0.000 1.205 481 F HN 0.219 nan 8.300 nan 0.000 0.436 482 V N 6.982 126.674 119.914 -0.369 0.000 2.407 482 V HA 0.521 4.753 4.120 0.186 0.000 0.291 482 V C 0.624 176.557 176.094 -0.268 0.000 1.018 482 V CA -0.607 61.581 62.300 -0.186 0.000 0.842 482 V CB 1.679 33.447 31.823 -0.091 0.000 0.996 482 V HN 0.854 nan 8.190 nan 0.000 0.426 483 R N 3.990 124.438 120.500 -0.086 0.000 2.096 483 R HA 0.082 4.533 4.340 0.186 0.000 0.235 483 R C 1.341 177.625 176.300 -0.025 0.000 1.127 483 R CA 1.389 57.469 56.100 -0.033 0.000 0.968 483 R CB -0.429 29.921 30.300 0.083 0.000 0.861 483 R HN 0.884 nan 8.270 nan 0.000 0.440 484 G N 0.636 109.436 108.800 -0.001 0.000 2.582 484 G HA2 0.105 4.177 3.960 0.186 0.000 0.232 484 G HA3 0.105 4.177 3.960 0.186 0.000 0.232 484 G C -0.429 174.458 174.900 -0.021 0.000 1.458 484 G CA -0.433 44.674 45.100 0.011 0.000 1.062 484 G HN 0.017 nan 8.290 nan 0.000 0.566 485 D N -0.346 120.048 120.400 -0.009 0.000 2.348 485 D HA 0.421 5.173 4.640 0.186 0.000 0.249 485 D C -0.367 175.919 176.300 -0.023 0.000 1.110 485 D CA 0.036 54.024 54.000 -0.020 0.000 0.967 485 D CB 1.992 42.786 40.800 -0.010 0.000 1.139 485 D HN 0.375 nan 8.370 nan 0.000 0.466 486 E N -0.328 119.855 120.200 -0.028 0.000 2.191 486 E HA 0.410 4.872 4.350 0.186 0.000 0.263 486 E C -1.510 175.080 176.600 -0.017 0.000 0.881 486 E CA -0.586 55.799 56.400 -0.025 0.000 0.757 486 E CB 1.053 30.731 29.700 -0.037 0.000 1.147 486 E HN 0.116 nan 8.360 nan 0.000 0.414 487 T N 4.647 119.195 114.554 -0.010 0.000 2.840 487 T HA 0.401 4.863 4.350 0.186 0.000 0.287 487 T C -0.952 173.746 174.700 -0.004 0.000 0.991 487 T CA -0.751 61.345 62.100 -0.007 0.000 0.964 487 T CB 1.029 69.894 68.868 -0.005 0.000 0.954 487 T HN 0.336 nan 8.240 nan 0.000 0.438 488 K N 2.206 122.604 120.400 -0.004 0.000 2.397 488 K HA 0.643 5.074 4.320 0.186 0.000 0.253 488 K C -1.162 175.440 176.600 0.002 0.000 0.932 488 K CA -0.537 55.750 56.287 0.001 0.000 0.795 488 K CB 1.481 33.981 32.500 -0.001 0.000 1.159 488 K HN 0.528 nan 8.250 nan 0.000 0.424 489 T N 2.365 116.923 114.554 0.007 0.000 2.841 489 T HA 0.371 4.833 4.350 0.186 0.000 0.285 489 T C -1.229 173.479 174.700 0.013 0.000 0.991 489 T CA -0.595 61.510 62.100 0.008 0.000 0.966 489 T CB 1.438 70.310 68.868 0.007 0.000 0.962 489 T HN 0.237 nan 8.240 nan 0.000 0.438 490 V N 3.741 123.662 119.914 0.012 0.000 2.376 490 V HA 0.283 4.514 4.120 0.186 0.000 0.287 490 V C 0.952 177.054 176.094 0.014 0.000 1.015 490 V CA -0.581 61.728 62.300 0.015 0.000 0.834 490 V CB 1.434 33.265 31.823 0.013 0.000 1.001 490 V HN 0.939 nan 8.190 nan 0.000 0.428 491 E N 2.863 123.073 120.200 0.018 0.000 2.285 491 E HA 0.022 4.484 4.350 0.186 0.000 0.194 491 E C 1.500 178.109 176.600 0.015 0.000 0.997 491 E CA 0.937 57.346 56.400 0.016 0.000 0.845 491 E CB 0.445 30.157 29.700 0.020 0.000 0.782 491 E HN 0.867 nan 8.360 nan 0.000 0.491 492 G N 0.851 109.661 108.800 0.016 0.000 2.975 492 G HA2 0.094 4.166 3.960 0.186 0.000 0.159 492 G HA3 0.094 4.166 3.960 0.186 0.000 0.159 492 G C 0.149 175.056 174.900 0.011 0.000 1.525 492 G CA -0.470 44.638 45.100 0.014 0.000 1.075 492 G HN -0.002 nan 8.290 nan 0.000 0.574 493 N N 0.088 118.795 118.700 0.010 0.000 2.456 493 N HA 0.487 5.339 4.740 0.186 0.000 0.296 493 N C -0.265 175.250 175.510 0.008 0.000 1.102 493 N CA -0.168 52.886 53.050 0.008 0.000 0.924 493 N CB 1.738 40.230 38.487 0.007 0.000 1.186 493 N HN 0.538 nan 8.380 nan 0.000 0.492 494 G N -0.277 108.527 108.800 0.006 0.000 2.417 494 G HA2 0.479 4.551 3.960 0.186 0.000 0.320 494 G HA3 0.479 4.551 3.960 0.186 0.000 0.320 494 G C -0.770 174.132 174.900 0.004 0.000 1.204 494 G CA -0.202 44.901 45.100 0.005 0.000 0.923 494 G HN 0.317 nan 8.290 nan 0.000 0.466 495 T N 2.899 117.455 114.554 0.004 0.000 2.841 495 T HA 0.526 4.988 4.350 0.186 0.000 0.285 495 T C -0.669 174.032 174.700 0.001 0.000 0.991 495 T CA -0.339 61.762 62.100 0.002 0.000 0.966 495 T CB 0.961 69.831 68.868 0.003 0.000 0.962 495 T HN 0.290 nan 8.240 nan 0.000 0.438 496 I N 4.475 125.044 120.570 -0.001 0.000 2.499 496 I HA 0.500 4.782 4.170 0.186 0.000 0.288 496 I C -0.983 175.132 176.117 -0.003 0.000 1.048 496 I CA -1.000 60.298 61.300 -0.003 0.000 1.062 496 I CB 1.550 39.547 38.000 -0.004 0.000 1.238 496 I HN 0.423 nan 8.210 nan 0.000 0.426 497 L N 7.900 129.120 121.223 -0.004 0.000 2.356 497 L HA 0.683 5.134 4.340 0.186 0.000 0.277 497 L C -1.068 175.799 176.870 -0.005 0.000 0.996 497 L CA -0.472 54.366 54.840 -0.004 0.000 0.822 497 L CB 1.852 43.910 42.059 -0.003 0.000 1.256 497 L HN 0.289 nan 8.230 nan 0.000 0.413 498 V N 6.607 126.518 119.914 -0.005 0.000 2.349 498 V HA 0.386 4.617 4.120 0.186 0.000 0.284 498 V C 0.890 176.982 176.094 -0.004 0.000 1.014 498 V CA -0.707 61.590 62.300 -0.005 0.000 0.826 498 V CB 1.210 33.030 31.823 -0.005 0.000 1.009 498 V HN 0.768 nan 8.190 nan 0.000 0.431 499 K N 2.817 123.214 120.400 -0.004 0.000 2.057 499 K HA -0.009 4.423 4.320 0.186 0.000 0.206 499 K C 1.394 177.992 176.600 -0.003 0.000 1.050 499 K CA 1.265 57.550 56.287 -0.003 0.000 0.935 499 K CB 0.125 32.623 32.500 -0.003 0.000 0.715 499 K HN 0.753 nan 8.250 nan 0.000 0.439 500 G N 1.594 110.392 108.800 -0.003 0.000 2.735 500 G HA2 0.050 4.122 3.960 0.186 0.000 0.192 500 G HA3 0.050 4.122 3.960 0.186 0.000 0.192 500 G C 0.175 175.074 174.900 -0.002 0.000 1.547 500 G CA -0.418 44.680 45.100 -0.002 0.000 1.080 500 G HN 0.138 nan 8.290 nan 0.000 0.569 501 N N -1.469 117.230 118.700 -0.001 0.000 2.476 501 N HA 0.530 5.382 4.740 0.186 0.000 0.276 501 N C -1.026 174.483 175.510 -0.001 0.000 1.204 501 N CA -0.287 52.762 53.050 -0.001 0.000 0.974 501 N CB 1.990 40.477 38.487 -0.000 0.000 1.204 501 N HN 0.120 nan 8.380 nan 0.000 0.543 502 V N 0.510 120.423 119.914 -0.001 0.000 2.577 502 V HA 0.398 4.630 4.120 0.186 0.000 0.303 502 V C -0.652 175.442 176.094 -0.001 0.000 1.042 502 V CA -0.507 61.792 62.300 -0.002 0.000 0.872 502 V CB 1.924 33.745 31.823 -0.003 0.000 0.998 502 V HN 0.652 nan 8.190 nan 0.000 0.423 503 T N 6.275 120.829 114.554 -0.001 0.000 2.840 503 T HA 0.633 5.094 4.350 0.186 0.000 0.287 503 T C -0.723 173.977 174.700 -0.002 0.000 0.991 503 T CA -0.338 61.762 62.100 0.000 0.000 0.964 503 T CB 1.040 69.910 68.868 0.002 0.000 0.954 503 T HN 0.286 nan 8.240 nan 0.000 0.438 504 I N 4.077 124.645 120.570 -0.003 0.000 2.433 504 I HA 0.549 4.831 4.170 0.186 0.000 0.292 504 I C -0.298 175.815 176.117 -0.006 0.000 1.001 504 I CA -1.087 60.209 61.300 -0.006 0.000 1.119 504 I CB 1.701 39.696 38.000 -0.008 0.000 1.289 504 I HN 0.634 nan 8.210 nan 0.000 0.438 505 I N 5.911 126.477 120.570 -0.008 0.000 2.499 505 I HA 0.433 4.715 4.170 0.186 0.000 0.288 505 I C -0.828 175.281 176.117 -0.013 0.000 1.048 505 I CA -0.790 60.506 61.300 -0.007 0.000 1.062 505 I CB 2.521 40.520 38.000 -0.003 0.000 1.238 505 I HN 0.107 nan 8.210 nan 0.000 0.426 506 V N 5.949 125.855 119.914 -0.013 0.000 2.409 506 V HA 0.230 4.462 4.120 0.186 0.000 0.290 506 V C 0.643 176.729 176.094 -0.014 0.000 1.017 506 V CA -0.408 61.883 62.300 -0.016 0.000 0.841 506 V CB 1.406 33.218 31.823 -0.018 0.000 1.003 506 V HN 0.774 nan 8.190 nan 0.000 0.426 507 E N 2.861 123.053 120.200 -0.014 0.000 2.216 507 E HA 0.046 4.508 4.350 0.186 0.000 0.192 507 E C 1.513 178.106 176.600 -0.011 0.000 0.988 507 E CA 0.937 57.330 56.400 -0.010 0.000 0.834 507 E CB 0.372 30.067 29.700 -0.009 0.000 0.772 507 E HN 0.862 nan 8.360 nan 0.000 0.479 508 G N 0.612 109.403 108.800 -0.014 0.000 2.975 508 G HA2 0.112 4.184 3.960 0.186 0.000 0.159 508 G HA3 0.112 4.184 3.960 0.186 0.000 0.159 508 G C 0.141 175.032 174.900 -0.016 0.000 1.525 508 G CA -0.488 44.603 45.100 -0.014 0.000 1.075 508 G HN -0.014 nan 8.290 nan 0.000 0.574 509 N N -0.035 118.655 118.700 -0.017 0.000 2.482 509 N HA 0.573 5.425 4.740 0.186 0.000 0.279 509 N C -0.631 174.866 175.510 -0.022 0.000 1.182 509 N CA -0.171 52.867 53.050 -0.020 0.000 0.969 509 N CB 1.813 40.288 38.487 -0.020 0.000 1.201 509 N HN 0.569 nan 8.380 nan 0.000 0.523 510 A N 0.604 123.409 122.820 -0.026 0.000 2.332 510 A HA 0.428 4.859 4.320 0.186 0.000 0.300 510 A C -1.273 176.292 177.584 -0.032 0.000 1.153 510 A CA -0.737 51.284 52.037 -0.027 0.000 0.764 510 A CB 0.691 19.675 19.000 -0.027 0.000 1.174 510 A HN 0.506 nan 8.150 nan 0.000 0.467 511 D N 2.479 122.861 120.400 -0.029 0.000 2.502 511 D HA 0.553 5.304 4.640 0.186 0.000 0.249 511 D C -0.835 175.448 176.300 -0.028 0.000 1.092 511 D CA 0.131 54.113 54.000 -0.031 0.000 0.839 511 D CB 2.012 42.796 40.800 -0.027 0.000 1.264 511 D HN 0.461 nan 8.370 nan 0.000 0.511 512 I N 1.089 121.639 120.570 -0.033 0.000 2.498 512 I HA 0.278 4.559 4.170 0.186 0.000 0.290 512 I C -0.350 175.752 176.117 -0.025 0.000 1.032 512 I CA -0.512 60.772 61.300 -0.027 0.000 1.073 512 I CB 2.431 40.415 38.000 -0.027 0.000 1.251 512 I HN 0.045 nan 8.210 nan 0.000 0.426 513 T N 5.033 119.577 114.554 -0.018 0.000 2.840 513 T HA 0.470 4.932 4.350 0.186 0.000 0.287 513 T C -0.564 174.131 174.700 -0.009 0.000 0.991 513 T CA -0.484 61.608 62.100 -0.014 0.000 0.964 513 T CB 2.022 70.883 68.868 -0.011 0.000 0.954 513 T HN 0.178 nan 8.240 nan 0.000 0.438 514 V N 4.998 124.908 119.914 -0.006 0.000 2.350 514 V HA 0.293 4.525 4.120 0.186 0.000 0.285 514 V C 1.050 177.144 176.094 0.001 0.000 1.014 514 V CA -0.784 61.515 62.300 -0.002 0.000 0.831 514 V CB 1.524 33.347 31.823 0.000 0.000 1.000 514 V HN 0.764 nan 8.190 nan 0.000 0.433 515 K N 2.896 123.297 120.400 0.001 0.000 2.103 515 K HA 0.036 4.468 4.320 0.186 0.000 0.204 515 K C 1.338 177.940 176.600 0.004 0.000 1.052 515 K CA 1.143 57.432 56.287 0.002 0.000 0.945 515 K CB 0.168 32.670 32.500 0.002 0.000 0.722 515 K HN 0.757 nan 8.250 nan 0.000 0.443 516 G N 1.209 110.011 108.800 0.004 0.000 2.829 516 G HA2 0.063 4.135 3.960 0.186 0.000 0.173 516 G HA3 0.063 4.135 3.960 0.186 0.000 0.173 516 G C -0.451 174.452 174.900 0.005 0.000 1.476 516 G CA -0.365 44.737 45.100 0.004 0.000 1.072 516 G HN 0.020 nan 8.290 nan 0.000 0.577 517 D N 0.494 120.896 120.400 0.004 0.000 2.193 517 D HA 0.543 5.295 4.640 0.186 0.000 0.249 517 D C -0.023 176.279 176.300 0.003 0.000 1.034 517 D CA 0.070 54.072 54.000 0.004 0.000 0.902 517 D CB 1.804 42.605 40.800 0.001 0.000 1.182 517 D HN 0.427 nan 8.370 nan 0.000 0.436 518 A N 1.291 124.114 122.820 0.006 0.000 2.317 518 A HA 0.639 5.070 4.320 0.186 0.000 0.327 518 A C -0.221 177.364 177.584 0.002 0.000 1.178 518 A CA -0.428 51.613 52.037 0.006 0.000 0.817 518 A CB 1.308 20.316 19.000 0.013 0.000 1.189 518 A HN 0.382 nan 8.150 nan 0.000 0.489 519 T N 1.581 116.135 114.554 -0.001 0.000 2.928 519 T HA 0.605 5.066 4.350 0.186 0.000 0.296 519 T C -0.839 173.858 174.700 -0.005 0.000 1.000 519 T CA -0.121 61.975 62.100 -0.006 0.000 0.989 519 T CB 1.369 70.232 68.868 -0.008 0.000 1.005 519 T HN 0.626 nan 8.240 nan 0.000 0.442 520 T N 3.855 118.404 114.554 -0.008 0.000 2.841 520 T HA 0.659 5.121 4.350 0.186 0.000 0.285 520 T C -1.386 173.307 174.700 -0.012 0.000 0.991 520 T CA -0.556 61.541 62.100 -0.005 0.000 0.966 520 T CB 1.256 70.126 68.868 0.003 0.000 0.962 520 T HN 0.366 nan 8.240 nan 0.000 0.438 521 L N 4.578 125.796 121.223 -0.008 0.000 2.381 521 L HA 0.872 5.323 4.340 0.186 0.000 0.274 521 L C -1.200 175.667 176.870 -0.005 0.000 0.988 521 L CA -0.842 53.992 54.840 -0.010 0.000 0.824 521 L CB 1.770 43.823 42.059 -0.009 0.000 1.263 521 L HN 0.466 nan 8.230 nan 0.000 0.410 522 V N 5.304 125.215 119.914 -0.005 0.000 2.482 522 V HA 0.500 4.731 4.120 0.186 0.000 0.295 522 V C 0.565 176.658 176.094 -0.003 0.000 1.026 522 V CA -0.304 61.995 62.300 -0.002 0.000 0.856 522 V CB 1.618 33.442 31.823 0.001 0.000 1.001 522 V HN 0.917 nan 8.190 nan 0.000 0.424 523 E N 4.187 124.386 120.200 -0.002 0.000 2.047 523 E HA 0.032 4.494 4.350 0.186 0.000 0.191 523 E C 1.354 177.954 176.600 -0.001 0.000 0.987 523 E CA 1.461 57.861 56.400 -0.001 0.000 0.799 523 E CB -0.174 29.526 29.700 -0.001 0.000 0.752 523 E HN 0.879 nan 8.360 nan 0.000 0.449 524 G N 1.438 110.238 108.800 -0.000 0.000 2.873 524 G HA2 0.040 4.112 3.960 0.186 0.000 0.170 524 G HA3 0.040 4.112 3.960 0.186 0.000 0.170 524 G C 0.345 175.245 174.900 -0.000 0.000 1.608 524 G CA -0.388 44.712 45.100 -0.000 0.000 1.084 524 G HN 0.068 nan 8.290 nan 0.000 0.563 525 N N 0.099 118.798 118.700 -0.001 0.000 2.492 525 N HA 0.367 5.219 4.740 0.186 0.000 0.289 525 N C -0.658 174.852 175.510 0.001 0.000 1.133 525 N CA -0.215 52.834 53.050 -0.001 0.000 0.961 525 N CB 1.886 40.371 38.487 -0.004 0.000 1.186 525 N HN 0.533 nan 8.380 nan 0.000 0.493 526 Q N 0.268 120.070 119.800 0.003 0.000 2.321 526 Q HA 0.454 4.906 4.340 0.186 0.000 0.270 526 Q C -1.543 174.463 176.000 0.010 0.000 1.032 526 Q CA -0.542 55.267 55.803 0.010 0.000 0.784 526 Q CB 1.079 29.826 28.738 0.015 0.000 1.264 526 Q HN 0.462 nan 8.270 nan 0.000 0.448 527 T N 3.795 118.357 114.554 0.013 0.000 2.847 527 T HA 0.434 4.895 4.350 0.186 0.000 0.291 527 T C -1.125 173.589 174.700 0.023 0.000 0.998 527 T CA -0.727 61.381 62.100 0.013 0.000 0.967 527 T CB 0.691 69.562 68.868 0.005 0.000 0.954 527 T HN 0.574 nan 8.240 nan 0.000 0.441 528 N N 1.736 120.457 118.700 0.035 0.000 2.408 528 N HA 0.577 5.428 4.740 0.186 0.000 0.280 528 N C -0.817 174.717 175.510 0.040 0.000 1.002 528 N CA -0.505 52.573 53.050 0.047 0.000 0.907 528 N CB 1.432 39.968 38.487 0.082 0.000 1.161 528 N HN 0.400 nan 8.380 nan 0.000 0.488 529 T N 1.037 115.609 114.554 0.030 0.000 2.812 529 T HA 0.504 4.966 4.350 0.186 0.000 0.282 529 T C -0.729 173.984 174.700 0.022 0.000 0.990 529 T CA -0.533 61.581 62.100 0.024 0.000 0.960 529 T CB 1.090 69.967 68.868 0.015 0.000 0.948 529 T HN 0.060 nan 8.240 nan 0.000 0.438 530 V N 4.180 124.109 119.914 0.026 0.000 2.447 530 V HA 0.317 4.548 4.120 0.186 0.000 0.292 530 V C 0.335 176.439 176.094 0.017 0.000 1.021 530 V CA -0.894 61.418 62.300 0.019 0.000 0.850 530 V CB 1.596 33.435 31.823 0.026 0.000 1.005 530 V HN 0.789 nan 8.190 nan 0.000 0.426 531 N N 3.078 121.784 118.700 0.010 0.000 2.398 531 N HA 0.092 4.943 4.740 0.186 0.000 0.188 531 N C 0.879 176.394 175.510 0.009 0.000 1.122 531 N CA 0.684 53.740 53.050 0.010 0.000 0.866 531 N CB 1.133 39.624 38.487 0.006 0.000 0.970 531 N HN 0.799 nan 8.380 nan 0.000 0.462 532 G N -0.179 108.625 108.800 0.007 0.000 3.310 532 G HA2 0.299 4.371 3.960 0.186 0.000 0.176 532 G HA3 0.299 4.371 3.960 0.186 0.000 0.176 532 G C -0.485 174.422 174.900 0.011 0.000 1.307 532 G CA -0.485 44.618 45.100 0.006 0.000 0.935 532 G HN 0.123 nan 8.290 nan 0.000 0.628 533 N N -0.633 118.072 118.700 0.008 0.000 2.361 533 N HA 0.514 5.366 4.740 0.186 0.000 0.302 533 N C -1.431 174.086 175.510 0.012 0.000 1.074 533 N CA -0.551 52.509 53.050 0.017 0.000 0.850 533 N CB 2.498 40.995 38.487 0.015 0.000 1.228 533 N HN 0.238 nan 8.380 nan 0.000 0.491 534 L N 1.642 122.888 121.223 0.037 0.000 2.295 534 L HA 0.581 5.032 4.340 0.186 0.000 0.285 534 L C -0.598 176.304 176.870 0.053 0.000 1.035 534 L CA -0.015 54.847 54.840 0.037 0.000 0.806 534 L CB 1.398 43.526 42.059 0.115 0.000 1.214 534 L HN 0.473 nan 8.230 nan 0.000 0.426 535 S N 4.109 119.779 115.700 -0.049 0.000 2.547 535 S HA 0.692 5.274 4.470 0.186 0.000 0.281 535 S C -1.989 172.523 174.600 -0.147 0.000 1.118 535 S CA -0.456 57.740 58.200 -0.007 0.000 0.947 535 S CB 0.581 63.772 63.200 -0.016 0.000 1.053 535 S HN 0.520 nan 8.310 nan 0.000 0.482 536 W N 3.544 124.876 121.300 0.054 0.000 2.600 536 W HA 0.558 5.331 4.660 0.188 0.000 0.325 536 W C -0.125 176.423 176.519 0.049 0.000 1.034 536 W CA -0.619 56.761 57.345 0.058 0.000 1.226 536 W CB 1.525 31.036 29.460 0.085 0.000 1.379 536 W HN 0.351 nan 8.180 nan 0.000 0.466 537 K N 3.757 124.298 120.400 0.234 0.000 2.507 537 K HA 0.546 4.977 4.320 0.186 0.000 0.253 537 K C -1.699 175.004 176.600 0.172 0.000 0.969 537 K CA -0.604 55.780 56.287 0.161 0.000 0.908 537 K CB 1.296 33.846 32.500 0.083 0.000 1.127 537 K HN 0.374 nan 8.250 nan 0.000 0.437 538 V N 4.193 124.207 119.914 0.167 0.000 2.376 538 V HA 0.305 4.537 4.120 0.186 0.000 0.287 538 V C 1.169 177.314 176.094 0.085 0.000 1.015 538 V CA -0.473 61.909 62.300 0.136 0.000 0.834 538 V CB 1.110 33.018 31.823 0.142 0.000 1.001 538 V HN 0.806 nan 8.190 nan 0.000 0.428 539 A N 3.974 126.834 122.820 0.066 0.000 1.930 539 A HA 0.190 4.621 4.320 0.186 0.000 0.217 539 A C 1.586 179.192 177.584 0.037 0.000 1.175 539 A CA 1.574 53.639 52.037 0.046 0.000 0.627 539 A CB -0.389 18.634 19.000 0.038 0.000 0.815 539 A HN 0.916 nan 8.150 nan 0.000 0.443 540 G N -1.117 107.705 108.800 0.036 0.000 2.666 540 G HA2 0.418 4.490 3.960 0.186 0.000 0.207 540 G HA3 0.418 4.490 3.960 0.186 0.000 0.207 540 G C 0.396 175.308 174.900 0.021 0.000 1.481 540 G CA 0.476 45.590 45.100 0.024 0.000 1.071 540 G HN 0.588 nan 8.290 nan 0.000 0.572 541 T N -2.382 112.178 114.554 0.010 0.000 2.902 541 T HA 0.538 5.000 4.350 0.186 0.000 0.280 541 T C -0.117 174.582 174.700 -0.002 0.000 0.992 541 T CA -0.179 61.923 62.100 0.003 0.000 1.015 541 T CB 1.494 70.359 68.868 -0.005 0.000 1.044 541 T HN 1.367 nan 8.240 nan 0.000 0.520 542 V N -1.060 118.854 119.914 0.001 0.000 2.638 542 V HA 0.704 4.936 4.120 0.186 0.000 0.306 542 V C -1.378 174.723 176.094 0.012 0.000 1.052 542 V CA -0.808 61.484 62.300 -0.013 0.000 0.885 542 V CB 1.822 33.656 31.823 0.018 0.000 0.999 542 V HN 1.104 nan 8.190 nan 0.000 0.424 543 D N 3.764 124.131 120.400 -0.055 0.000 2.780 543 D HA 0.457 5.209 4.640 0.186 0.000 0.242 543 D C -1.950 174.305 176.300 -0.075 0.000 1.135 543 D CA -0.224 53.774 54.000 -0.003 0.000 0.859 543 D CB 2.324 43.107 40.800 -0.028 0.000 1.530 543 D HN 0.661 nan 8.370 nan 0.000 0.493 544 W N 1.957 123.243 121.300 -0.023 0.000 2.656 544 W HA 0.307 5.081 4.660 0.191 0.000 0.327 544 W C -0.549 175.988 176.519 0.029 0.000 1.041 544 W CA -0.617 56.742 57.345 0.023 0.000 1.229 544 W CB 1.624 31.137 29.460 0.088 0.000 1.397 544 W HN 0.199 nan 8.180 nan 0.000 0.479 545 D N 2.629 123.161 120.400 0.220 0.000 2.420 545 D HA 0.440 5.192 4.640 0.186 0.000 0.255 545 D C -1.595 174.814 176.300 0.181 0.000 1.185 545 D CA -0.241 53.850 54.000 0.152 0.000 0.904 545 D CB 1.018 41.857 40.800 0.065 0.000 1.102 545 D HN 0.038 nan 8.370 nan 0.000 0.534 546 V N 3.514 123.565 119.914 0.228 0.000 2.384 546 V HA 0.534 4.765 4.120 0.186 0.000 0.287 546 V C 1.536 177.716 176.094 0.143 0.000 1.020 546 V CA -0.435 61.998 62.300 0.222 0.000 0.850 546 V CB 1.538 33.577 31.823 0.361 0.000 0.987 546 V HN 0.635 nan 8.190 nan 0.000 0.436 547 G N 3.366 112.225 108.800 0.098 0.000 2.394 547 G HA2 0.133 4.205 3.960 0.186 0.000 0.215 547 G HA3 0.133 4.205 3.960 0.186 0.000 0.215 547 G C 0.847 175.787 174.900 0.067 0.000 1.165 547 G CA 0.748 45.889 45.100 0.069 0.000 0.784 547 G HN 0.869 nan 8.290 nan 0.000 0.535 548 G N -0.344 108.495 108.800 0.066 0.000 2.582 548 G HA2 0.426 4.497 3.960 0.186 0.000 0.232 548 G HA3 0.426 4.497 3.960 0.186 0.000 0.232 548 G C -0.958 173.991 174.900 0.081 0.000 1.458 548 G CA -0.362 44.771 45.100 0.055 0.000 1.062 548 G HN 0.108 nan 8.290 nan 0.000 0.566 549 D N -0.946 119.492 120.400 0.063 0.000 2.304 549 D HA 0.246 4.998 4.640 0.186 0.000 0.247 549 D C -1.223 175.146 176.300 0.115 0.000 1.089 549 D CA 0.182 54.237 54.000 0.091 0.000 0.910 549 D CB 1.483 42.318 40.800 0.057 0.000 1.199 549 D HN 0.308 nan 8.370 nan 0.000 0.426 550 W N 1.445 122.725 121.300 -0.033 0.000 2.417 550 W HA 0.350 5.127 4.660 0.194 0.000 0.315 550 W C -0.420 176.061 176.519 -0.062 0.000 1.045 550 W CA -0.401 56.907 57.345 -0.062 0.000 1.221 550 W CB 1.110 30.514 29.460 -0.092 0.000 1.309 550 W HN 0.223 nan 8.180 nan 0.000 0.453 551 T N 1.881 116.529 114.554 0.158 0.000 2.893 551 T HA 0.684 5.146 4.350 0.186 0.000 0.293 551 T C -0.906 173.851 174.700 0.096 0.000 1.027 551 T CA -0.969 61.216 62.100 0.142 0.000 0.988 551 T CB 2.100 70.991 68.868 0.037 0.000 1.043 551 T HN 0.540 nan 8.240 nan 0.000 0.461 552 E N 1.252 121.545 120.200 0.156 0.000 2.372 552 E HA 0.622 5.084 4.350 0.186 0.000 0.279 552 E C -1.707 174.938 176.600 0.075 0.000 0.946 552 E CA -1.259 55.214 56.400 0.121 0.000 0.769 552 E CB 2.195 32.058 29.700 0.273 0.000 1.230 552 E HN 0.554 nan 8.360 nan 0.000 0.442 553 K N 2.445 122.874 120.400 0.047 0.000 2.468 553 K HA 0.519 4.951 4.320 0.186 0.000 0.252 553 K C -0.734 175.885 176.600 0.032 0.000 0.932 553 K CA -0.870 55.436 56.287 0.033 0.000 0.794 553 K CB 1.954 34.465 32.500 0.020 0.000 1.241 553 K HN 0.680 nan 8.250 nan 0.000 0.428 554 M N -0.126 119.491 119.600 0.027 0.000 2.721 554 M HA 0.463 5.055 4.480 0.186 0.000 0.271 554 M C -0.375 175.937 176.300 0.019 0.000 1.259 554 M CA -0.554 54.762 55.300 0.027 0.000 0.835 554 M CB 0.871 33.492 32.600 0.035 0.000 1.689 554 M HN 0.528 nan 8.290 nan 0.000 0.470 555 A N 1.606 124.437 122.820 0.019 0.000 1.865 555 A HA 0.162 4.593 4.320 0.186 0.000 0.217 555 A C 1.018 178.607 177.584 0.010 0.000 1.191 555 A CA 2.422 54.467 52.037 0.013 0.000 0.623 555 A CB -0.640 18.368 19.000 0.015 0.000 0.826 555 A HN 1.384 nan 8.150 nan 0.000 0.444 556 S N -3.485 112.222 115.700 0.013 0.000 2.588 556 S HA 0.648 5.229 4.470 0.186 0.000 0.269 556 S C -0.907 173.701 174.600 0.012 0.000 1.157 556 S CA -0.523 57.682 58.200 0.008 0.000 0.824 556 S CB 1.240 64.444 63.200 0.006 0.000 1.126 556 S HN 0.606 nan 8.310 nan 0.000 0.464 557 M N 1.884 121.487 119.600 0.006 0.000 2.326 557 M HA 0.720 5.311 4.480 0.186 0.000 0.306 557 M C -1.081 175.222 176.300 0.004 0.000 1.054 557 M CA -0.196 55.109 55.300 0.007 0.000 0.922 557 M CB 2.085 34.684 32.600 -0.002 0.000 1.632 557 M HN 0.807 nan 8.290 nan 0.000 0.436 558 S N 2.946 118.656 115.700 0.015 0.000 2.539 558 S HA 0.567 5.149 4.470 0.186 0.000 0.235 558 S C -1.388 173.232 174.600 0.034 0.000 1.326 558 S CA -0.447 57.763 58.200 0.016 0.000 1.183 558 S CB 0.443 63.655 63.200 0.021 0.000 1.073 558 S HN 0.733 nan 8.310 nan 0.000 0.480 559 S N 5.398 121.119 115.700 0.035 0.000 2.448 559 S HA 0.666 5.248 4.470 0.186 0.000 0.320 559 S C -0.680 173.997 174.600 0.128 0.000 1.071 559 S CA -0.549 57.715 58.200 0.108 0.000 1.113 559 S CB -0.076 63.230 63.200 0.177 0.000 0.972 559 S HN 0.722 nan 8.310 nan 0.000 0.465 560 I N 4.591 125.246 120.570 0.141 0.000 2.468 560 I HA 0.297 4.579 4.170 0.186 0.000 0.284 560 I C -0.035 176.174 176.117 0.152 0.000 1.038 560 I CA -0.479 60.896 61.300 0.126 0.000 1.083 560 I CB 2.067 40.104 38.000 0.062 0.000 1.223 560 I HN 0.613 nan 8.210 nan 0.000 0.443 561 S N 2.663 118.498 115.700 0.225 0.000 2.565 561 S HA 0.343 4.925 4.470 0.186 0.000 0.290 561 S C 0.908 175.569 174.600 0.101 0.000 1.150 561 S CA -0.457 57.829 58.200 0.144 0.000 1.058 561 S CB 1.780 65.060 63.200 0.133 0.000 1.032 561 S HN 0.652 nan 8.310 nan 0.000 0.510 562 S N 2.066 117.802 115.700 0.061 0.000 2.489 562 S HA 0.245 4.827 4.470 0.186 0.000 0.228 562 S C 1.067 175.693 174.600 0.043 0.000 0.995 562 S CA 0.155 58.383 58.200 0.046 0.000 0.934 562 S CB -0.527 62.693 63.200 0.033 0.000 0.771 562 S HN 1.018 nan 8.310 nan 0.000 0.522 563 G N 0.777 109.604 108.800 0.044 0.000 3.310 563 G HA2 0.497 4.569 3.960 0.186 0.000 0.176 563 G HA3 0.497 4.569 3.960 0.186 0.000 0.176 563 G C -0.647 174.285 174.900 0.053 0.000 1.307 563 G CA -0.584 44.537 45.100 0.036 0.000 0.935 563 G HN 0.317 nan 8.290 nan 0.000 0.628 564 Q N -0.915 118.905 119.800 0.034 0.000 2.394 564 Q HA 0.403 4.855 4.340 0.186 0.000 0.248 564 Q C -1.749 174.288 176.000 0.062 0.000 0.992 564 Q CA -0.083 55.748 55.803 0.046 0.000 0.888 564 Q CB 0.656 29.402 28.738 0.013 0.000 1.257 564 Q HN 0.458 nan 8.270 nan 0.000 0.462 565 Y N 2.114 122.404 120.300 -0.016 0.000 2.400 565 Y HA 0.339 5.008 4.550 0.198 0.000 0.335 565 Y C -1.213 174.669 175.900 -0.029 0.000 1.066 565 Y CA -0.484 57.601 58.100 -0.025 0.000 1.285 565 Y CB 1.219 39.665 38.460 -0.023 0.000 1.103 565 Y HN 0.742 nan 8.280 nan 0.000 0.490 566 T N 5.040 119.623 114.554 0.047 0.000 2.888 566 T HA 0.762 5.223 4.350 0.186 0.000 0.284 566 T C -0.937 173.787 174.700 0.041 0.000 1.017 566 T CA -0.431 61.711 62.100 0.069 0.000 1.022 566 T CB 0.988 69.862 68.868 0.009 0.000 1.013 566 T HN 0.496 nan 8.240 nan 0.000 0.465 567 I N 2.850 123.456 120.570 0.061 0.000 2.582 567 I HA 0.568 4.850 4.170 0.186 0.000 0.292 567 I C -1.097 175.018 176.117 -0.002 0.000 1.066 567 I CA -0.729 60.586 61.300 0.025 0.000 1.053 567 I CB 2.275 40.307 38.000 0.053 0.000 1.241 567 I HN 0.688 nan 8.210 nan 0.000 0.421 568 D N 3.157 123.543 120.400 -0.024 0.000 2.736 568 D HA 0.785 5.536 4.640 0.186 0.000 0.223 568 D C -0.950 175.334 176.300 -0.027 0.000 1.231 568 D CA -0.070 53.918 54.000 -0.021 0.000 0.818 568 D CB 2.607 43.397 40.800 -0.017 0.000 1.587 568 D HN 0.784 nan 8.370 nan 0.000 0.463 569 G N -0.244 108.545 108.800 -0.019 0.000 2.489 569 G HA2 0.388 4.460 3.960 0.186 0.000 0.291 569 G HA3 0.388 4.460 3.960 0.186 0.000 0.291 569 G C 0.725 175.618 174.900 -0.011 0.000 1.487 569 G CA 0.162 45.252 45.100 -0.017 0.000 0.795 569 G HN 0.533 nan 8.290 nan 0.000 0.513 570 S N -0.429 115.267 115.700 -0.007 0.000 2.372 570 S HA -0.124 4.458 4.470 0.186 0.000 0.227 570 S C 1.107 175.704 174.600 -0.005 0.000 1.044 570 S CA 1.689 59.887 58.200 -0.004 0.000 1.050 570 S CB -0.058 63.142 63.200 -0.001 0.000 0.901 570 S HN 0.792 nan 8.310 nan 0.000 0.447 571 R N -0.199 120.297 120.500 -0.007 0.000 2.725 571 R HA 0.685 5.137 4.340 0.186 0.000 0.277 571 R C -1.938 174.354 176.300 -0.013 0.000 0.987 571 R CA -0.797 55.299 56.100 -0.008 0.000 0.901 571 R CB 1.421 31.718 30.300 -0.005 0.000 1.207 571 R HN 0.377 nan 8.270 nan 0.000 0.463 572 I N 2.823 123.383 120.570 -0.016 0.000 2.439 572 I HA 0.268 4.550 4.170 0.186 0.000 0.283 572 I C -1.211 174.889 176.117 -0.029 0.000 1.023 572 I CA -0.718 60.567 61.300 -0.024 0.000 1.100 572 I CB 2.083 40.067 38.000 -0.026 0.000 1.238 572 I HN 0.503 nan 8.210 nan 0.000 0.445 573 D N 7.013 127.394 120.400 -0.032 0.000 2.217 573 D HA 0.554 5.305 4.640 0.186 0.000 0.243 573 D C -0.467 175.799 176.300 -0.056 0.000 1.054 573 D CA -0.139 53.840 54.000 -0.035 0.000 0.838 573 D CB 2.205 42.991 40.800 -0.023 0.000 1.162 573 D HN 0.322 nan 8.370 nan 0.000 0.472 574 I N 2.301 122.826 120.570 -0.075 0.000 2.390 574 I HA 0.365 4.646 4.170 0.186 0.000 0.283 574 I C 0.537 176.597 176.117 -0.094 0.000 1.016 574 I CA -0.674 60.553 61.300 -0.123 0.000 1.151 574 I CB 1.343 39.202 38.000 -0.234 0.000 1.293 574 I HN 0.536 nan 8.210 nan 0.000 0.458 575 G N 4.823 113.583 108.800 -0.067 0.000 2.622 575 G HA2 -0.204 3.867 3.960 0.186 0.000 0.173 575 G HA3 -0.204 3.867 3.960 0.186 0.000 0.173 575 G C 0.217 175.112 174.900 -0.009 0.000 0.190 575 G CA -0.069 45.010 45.100 -0.034 0.000 1.082 575 G HN 0.605 nan 8.290 nan 0.000 0.505 584 H N 0.000 119.249 119.070 0.298 0.000 2.539 584 H HA 0.000 4.546 4.556 -0.017 0.000 0.296 584 H CA 0.000 56.153 56.048 0.175 0.000 1.023 584 H CB 0.000 29.797 29.762 0.059 0.000 1.292 584 H HN 0.000 nan 8.280 nan 0.000 0.496