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 2hld_1_K DATA FIRST_RESID 21 DATA SEQUENCE VSDEANLNET GRVLAVGDGI ARVFGLNNIQ AEELVEFSSG VKGMALNLEP DATA SEQUENCE GQVGIVLFGS DRLVKEGELV KRTGNIVDVP VGPGLLGRVV DALGNPIDGK DATA SEQUENCE GPIDAAGRSR AQVKAPGILP RRSVHEPVQT GLKAVDALVP IGRGQRELII DATA SEQUENCE GDRQTGKTAV ALDTILNQKR WNNGSDESKK LYCVYVAVGQ KRSTVAQLVQ DATA SEQUENCE TLEQHDAMKY SIIVAATASE AAPLQYLAPF TAASIGEWFR DNGKHALIVY DATA SEQUENCE DDLSKQAVAY RQLSLLLRRP PGREAYPGDV FYLHSRLLER AAKLSEKEGS DATA SEQUENCE GSLTALPVIE TQGGDVSAYI PTNVISITDG QIFLEAELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QVKALKQVAG SLKLFLAQYR EVAAFAQXXX DLDASTKQTL DATA SEQUENCE VRGERLTQLL KQNQYSPLAT EEQVPLIYAG VNGHLDGIEL SRIGEFESSF DATA SEQUENCE LSYLKSNHNE LLTEIREKGE LSKELLASLK SATESFVAT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.126 176.094 0.053 0.000 1.182 21 V CA 0.000 62.320 62.300 0.033 0.000 1.235 21 V CB 0.000 31.837 31.823 0.024 0.000 1.184 22 S N 0.778 116.517 115.700 0.065 0.000 3.113 22 S HA 0.614 5.084 4.470 -0.000 0.000 0.265 22 S C 0.961 175.644 174.600 0.139 0.000 1.079 22 S CA 1.848 60.104 58.200 0.093 0.000 0.892 22 S CB -0.121 63.114 63.200 0.059 0.000 0.880 22 S HN 2.495 nan 8.310 nan 0.000 0.444 23 D N 1.599 122.059 120.400 0.099 0.000 2.458 23 D HA 0.480 5.120 4.640 -0.000 0.000 0.243 23 D C 1.118 177.484 176.300 0.110 0.000 1.146 23 D CA 0.685 54.750 54.000 0.108 0.000 0.877 23 D CB -0.475 40.361 40.800 0.060 0.000 1.176 23 D HN 0.767 nan 8.370 nan 0.000 0.461 24 E N 0.253 120.550 120.200 0.161 0.000 2.208 24 E HA -0.099 4.251 4.350 -0.000 0.000 0.202 24 E C 2.441 178.999 176.600 -0.070 0.000 1.014 24 E CA 2.521 58.903 56.400 -0.030 0.000 0.819 24 E CB -0.822 28.884 29.700 0.010 0.000 0.735 24 E HN 1.232 nan 8.360 nan 0.000 0.469 25 A N 0.812 123.626 122.820 -0.011 0.000 1.930 25 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 25 A C 2.071 179.639 177.584 -0.027 0.000 1.175 25 A CA 1.608 53.633 52.037 -0.020 0.000 0.627 25 A CB -0.102 18.898 19.000 -0.000 0.000 0.815 25 A HN 0.485 nan 8.150 nan 0.000 0.443 26 N N -0.429 118.262 118.700 -0.014 0.000 2.424 26 N HA 0.093 4.833 4.740 -0.000 0.000 0.178 26 N C 0.059 175.552 175.510 -0.027 0.000 1.060 26 N CA 0.320 53.363 53.050 -0.013 0.000 0.901 26 N CB -0.013 38.477 38.487 0.004 0.000 0.979 26 N HN 0.393 nan 8.380 nan 0.000 0.451 27 L N 2.030 123.223 121.223 -0.050 0.000 2.389 27 L HA 0.229 4.569 4.340 -0.000 0.000 0.265 27 L C 0.645 177.457 176.870 -0.096 0.000 1.167 27 L CA -0.126 54.672 54.840 -0.071 0.000 1.045 27 L CB 0.063 42.064 42.059 -0.097 0.000 1.351 27 L HN 0.031 nan 8.230 nan 0.000 0.419 28 N N 0.158 118.817 118.700 -0.068 0.000 2.419 28 N HA 0.038 4.778 4.740 -0.000 0.000 0.216 28 N C 0.800 176.276 175.510 -0.058 0.000 1.118 28 N CA 0.173 53.183 53.050 -0.066 0.000 0.850 28 N CB 0.961 39.417 38.487 -0.051 0.000 1.292 28 N HN 0.463 nan 8.380 nan 0.000 0.467 29 E N 0.951 121.121 120.200 -0.049 0.000 2.526 29 E HA 0.090 4.440 4.350 -0.000 0.000 0.208 29 E C 0.241 176.808 176.600 -0.055 0.000 0.997 29 E CA 0.269 56.640 56.400 -0.048 0.000 0.961 29 E CB 1.305 30.983 29.700 -0.036 0.000 1.030 29 E HN 0.309 nan 8.360 nan 0.000 0.483 30 T N -2.337 112.184 114.554 -0.055 0.000 2.887 30 T HA 0.768 5.118 4.350 -0.000 0.000 0.292 30 T C 0.176 174.843 174.700 -0.056 0.000 1.087 30 T CA -0.755 61.313 62.100 -0.054 0.000 1.009 30 T CB 2.541 71.389 68.868 -0.032 0.000 1.203 30 T HN -0.010 nan 8.240 nan 0.000 0.518 31 G N 0.057 108.832 108.800 -0.040 0.000 2.695 31 G HA2 0.654 4.614 3.960 -0.000 0.000 0.290 31 G HA3 0.654 4.614 3.960 -0.000 0.000 0.290 31 G C -1.529 173.402 174.900 0.051 0.000 1.410 31 G CA -1.071 44.023 45.100 -0.010 0.000 0.844 31 G HN 0.716 nan 8.290 nan 0.000 0.478 32 R N -0.088 120.486 120.500 0.123 0.000 2.589 32 R HA 0.489 4.829 4.340 -0.000 0.000 0.293 32 R C -0.625 175.770 176.300 0.159 0.000 0.963 32 R CA -0.728 55.458 56.100 0.142 0.000 0.905 32 R CB 2.349 32.745 30.300 0.160 0.000 1.144 32 R HN 0.304 nan 8.270 nan 0.000 0.459 33 V N 5.085 125.086 119.914 0.145 0.000 2.479 33 V HA 0.005 4.125 4.120 -0.000 0.000 0.281 33 V C 1.778 177.931 176.094 0.099 0.000 1.031 33 V CA 0.277 62.664 62.300 0.145 0.000 1.038 33 V CB 0.599 32.513 31.823 0.152 0.000 0.981 33 V HN 0.699 nan 8.190 nan 0.000 0.478 34 L N 4.159 125.440 121.223 0.096 0.000 2.162 34 L HA 0.342 4.682 4.340 -0.000 0.000 0.205 34 L C 0.954 177.841 176.870 0.028 0.000 1.086 34 L CA 1.225 56.095 54.840 0.050 0.000 0.778 34 L CB 0.004 42.097 42.059 0.057 0.000 0.928 34 L HN 0.798 nan 8.230 nan 0.000 0.446 35 A N -0.911 121.930 122.820 0.036 0.000 2.594 35 A HA 0.576 4.896 4.320 -0.000 0.000 0.296 35 A C -1.719 175.869 177.584 0.007 0.000 1.056 35 A CA -0.387 51.659 52.037 0.014 0.000 0.693 35 A CB 1.670 20.674 19.000 0.007 0.000 1.278 35 A HN -0.212 nan 8.150 nan 0.000 0.408 36 V N 0.855 120.761 119.914 -0.015 0.000 2.686 36 V HA 0.972 5.091 4.120 -0.000 0.000 0.306 36 V C -0.161 175.909 176.094 -0.041 0.000 1.065 36 V CA 0.752 63.028 62.300 -0.039 0.000 0.894 36 V CB 1.720 33.498 31.823 -0.076 0.000 1.004 36 V HN 2.377 nan 8.190 nan 0.000 0.424 37 G N 3.423 112.196 108.800 -0.045 0.000 2.596 37 G HA2 0.533 4.493 3.960 -0.000 0.000 0.296 37 G HA3 0.533 4.493 3.960 -0.000 0.000 0.296 37 G C -0.937 173.936 174.900 -0.044 0.000 1.513 37 G CA 0.088 45.164 45.100 -0.041 0.000 0.851 37 G HN 0.992 nan 8.290 nan 0.000 0.548 38 D N -0.465 119.909 120.400 -0.043 0.000 2.772 38 D HA -0.131 4.508 4.640 -0.000 0.000 0.233 38 D C 1.688 177.956 176.300 -0.053 0.000 1.143 38 D CA 2.849 56.823 54.000 -0.044 0.000 0.700 38 D CB -1.243 39.532 40.800 -0.042 0.000 1.076 38 D HN 2.199 nan 8.370 nan 0.000 0.430 39 G N -1.336 107.429 108.800 -0.059 0.000 2.175 39 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.265 39 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.265 39 G C 0.259 175.109 174.900 -0.083 0.000 0.979 39 G CA 0.537 45.594 45.100 -0.071 0.000 0.663 39 G HN 0.534 nan 8.290 nan 0.000 0.533 40 I N 0.418 120.946 120.570 -0.069 0.000 2.493 40 I HA 0.744 4.914 4.170 -0.000 0.000 0.298 40 I C 0.420 176.511 176.117 -0.043 0.000 0.998 40 I CA -1.169 60.099 61.300 -0.054 0.000 1.137 40 I CB 1.445 39.421 38.000 -0.040 0.000 1.310 40 I HN 0.344 nan 8.210 nan 0.000 0.445 41 A N 6.650 129.466 122.820 -0.008 0.000 2.304 41 A HA 0.655 4.975 4.320 -0.000 0.000 0.314 41 A C -0.145 177.487 177.584 0.080 0.000 1.187 41 A CA -0.746 51.310 52.037 0.031 0.000 0.810 41 A CB 0.787 19.820 19.000 0.056 0.000 1.183 41 A HN 0.711 nan 8.150 nan 0.000 0.487 42 R N 1.374 121.912 120.500 0.063 0.000 2.265 42 R HA 0.518 4.858 4.340 -0.000 0.000 0.314 42 R C -1.025 175.341 176.300 0.109 0.000 1.053 42 R CA -0.179 55.965 56.100 0.073 0.000 0.931 42 R CB 1.289 31.620 30.300 0.052 0.000 1.024 42 R HN 0.449 nan 8.270 nan 0.000 0.457 43 V N 4.498 124.483 119.914 0.118 0.000 2.656 43 V HA 0.331 4.451 4.120 -0.000 0.000 0.307 43 V C -0.853 175.335 176.094 0.156 0.000 1.051 43 V CA -0.891 61.491 62.300 0.137 0.000 0.893 43 V CB 1.754 33.639 31.823 0.103 0.000 0.999 43 V HN 0.546 nan 8.190 nan 0.000 0.426 44 F N 3.901 123.863 119.950 0.020 0.000 2.408 44 F HA 0.803 5.330 4.527 -0.000 0.000 0.344 44 F C 0.751 176.554 175.800 0.004 0.000 1.112 44 F CA 1.122 59.128 58.000 0.011 0.000 1.096 44 F CB 1.104 40.111 39.000 0.011 0.000 1.129 44 F HN 0.941 nan 8.300 nan 0.000 0.486 45 G N 4.433 112.813 108.800 -0.699 0.000 2.475 45 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.223 45 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.223 45 G C 0.057 174.809 174.900 -0.247 0.000 1.201 45 G CA -0.440 44.349 45.100 -0.517 0.000 0.962 45 G HN 1.431 nan 8.290 nan 0.000 0.586 46 L N -0.195 120.930 121.223 -0.163 0.000 3.634 46 L HA -0.212 4.128 4.340 -0.000 0.000 0.423 46 L C 1.640 178.446 176.870 -0.106 0.000 1.253 46 L CA 0.521 55.293 54.840 -0.112 0.000 0.885 46 L CB -1.398 40.606 42.059 -0.092 0.000 1.789 46 L HN 0.662 nan 8.230 nan 0.000 0.904 47 N N 0.377 119.004 118.700 -0.120 0.000 2.205 47 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 47 N C 1.207 176.676 175.510 -0.069 0.000 1.015 47 N CA 1.623 54.611 53.050 -0.103 0.000 0.862 47 N CB -0.138 38.286 38.487 -0.105 0.000 0.986 47 N HN 0.569 nan 8.380 nan 0.000 0.429 48 N N 0.623 119.288 118.700 -0.060 0.000 2.322 48 N HA 0.099 4.839 4.740 -0.000 0.000 0.194 48 N C 0.429 175.916 175.510 -0.038 0.000 1.126 48 N CA -0.093 52.931 53.050 -0.043 0.000 0.845 48 N CB 0.685 39.149 38.487 -0.038 0.000 0.976 48 N HN 0.331 nan 8.380 nan 0.000 0.475 49 I N 1.134 121.678 120.570 -0.043 0.000 2.779 49 I HA -0.046 4.124 4.170 -0.000 0.000 0.285 49 I C 0.129 176.232 176.117 -0.023 0.000 1.134 49 I CA -0.222 61.056 61.300 -0.035 0.000 1.398 49 I CB 0.731 38.706 38.000 -0.043 0.000 1.404 49 I HN -0.022 nan 8.210 nan 0.000 0.587 50 Q N 5.130 124.921 119.800 -0.015 0.000 2.230 50 Q HA 0.502 4.842 4.340 -0.000 0.000 0.253 50 Q C -0.257 175.743 176.000 -0.000 0.000 0.919 50 Q CA -0.907 54.892 55.803 -0.006 0.000 0.908 50 Q CB 1.570 30.307 28.738 -0.002 0.000 1.245 50 Q HN 0.760 nan 8.270 nan 0.000 0.437 51 A N 2.436 125.258 122.820 0.004 0.000 2.546 51 A HA 0.006 4.326 4.320 -0.000 0.000 0.243 51 A C 0.184 177.781 177.584 0.020 0.000 1.063 51 A CA 0.391 52.435 52.037 0.012 0.000 0.757 51 A CB -0.231 18.778 19.000 0.014 0.000 0.991 51 A HN 0.993 nan 8.150 nan 0.000 0.503 52 E N -0.545 119.673 120.200 0.030 0.000 3.763 52 E HA -0.197 4.153 4.350 -0.000 0.000 0.319 52 E C 0.144 176.776 176.600 0.053 0.000 0.804 52 E CA 1.148 57.577 56.400 0.048 0.000 1.196 52 E CB -1.429 28.297 29.700 0.044 0.000 1.607 52 E HN 0.937 nan 8.360 nan 0.000 0.431 53 E N 0.972 121.193 120.200 0.036 0.000 2.354 53 E HA 0.299 4.648 4.350 -0.000 0.000 0.269 53 E C -0.178 176.454 176.600 0.052 0.000 1.036 53 E CA -0.310 56.109 56.400 0.033 0.000 0.876 53 E CB 0.694 30.399 29.700 0.008 0.000 1.009 53 E HN 0.139 nan 8.360 nan 0.000 0.416 54 L N 4.607 125.871 121.223 0.069 0.000 2.456 54 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 54 L C -0.273 176.614 176.870 0.029 0.000 1.189 54 L CA -0.093 54.806 54.840 0.098 0.000 0.846 54 L CB 0.908 43.028 42.059 0.101 0.000 1.111 54 L HN 0.435 nan 8.230 nan 0.000 0.475 55 V N 0.580 120.498 119.914 0.007 0.000 3.046 55 V HA 0.638 4.758 4.120 -0.000 0.000 0.316 55 V C -0.744 175.276 176.094 -0.123 0.000 1.104 55 V CA -0.869 61.355 62.300 -0.127 0.000 1.006 55 V CB 1.871 33.511 31.823 -0.307 0.000 1.058 55 V HN 0.782 nan 8.190 nan 0.000 0.440 56 E N 0.845 120.928 120.200 -0.195 0.000 2.222 56 E HA 0.617 4.967 4.350 -0.000 0.000 0.267 56 E C -1.753 174.713 176.600 -0.223 0.000 0.884 56 E CA -0.670 55.675 56.400 -0.093 0.000 0.764 56 E CB 1.821 31.513 29.700 -0.013 0.000 1.169 56 E HN 0.628 nan 8.360 nan 0.000 0.413 57 F N 1.219 121.193 119.950 0.039 0.000 2.457 57 F HA 0.235 4.761 4.527 -0.000 0.000 0.330 57 F C 1.770 177.587 175.800 0.028 0.000 1.069 57 F CA -0.460 57.559 58.000 0.031 0.000 1.009 57 F CB 1.454 40.472 39.000 0.030 0.000 1.276 57 F HN 0.478 nan 8.300 nan 0.000 0.492 58 S N 0.127 115.969 115.700 0.237 0.000 2.365 58 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 58 S C 2.044 176.711 174.600 0.112 0.000 1.039 58 S CA 1.940 60.219 58.200 0.131 0.000 1.033 58 S CB -0.555 62.710 63.200 0.108 0.000 0.887 58 S HN 0.715 nan 8.310 nan 0.000 0.447 59 S N 0.102 115.876 115.700 0.123 0.000 2.555 59 S HA 0.281 4.751 4.470 -0.000 0.000 0.230 59 S C 1.552 176.206 174.600 0.090 0.000 0.978 59 S CA 0.871 59.121 58.200 0.084 0.000 0.934 59 S CB -0.142 63.092 63.200 0.057 0.000 0.766 59 S HN 0.845 nan 8.310 nan 0.000 0.533 60 G N 0.110 108.984 108.800 0.124 0.000 2.194 60 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 60 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 60 G C 0.151 175.140 174.900 0.147 0.000 0.987 60 G CA -0.041 45.127 45.100 0.113 0.000 0.635 60 G HN 0.895 nan 8.290 nan 0.000 0.520 61 V N 1.430 121.452 119.914 0.179 0.000 2.811 61 V HA 0.552 4.671 4.120 -0.000 0.000 0.302 61 V C 0.543 176.856 176.094 0.365 0.000 1.063 61 V CA 0.078 62.499 62.300 0.201 0.000 1.088 61 V CB 1.112 32.989 31.823 0.089 0.000 0.982 61 V HN 0.294 nan 8.190 nan 0.000 0.485 62 K N 4.007 124.621 120.400 0.357 0.000 2.221 62 K HA 0.759 5.079 4.320 -0.000 0.000 0.243 62 K C -0.108 176.802 176.600 0.516 0.000 0.968 62 K CA -0.276 56.262 56.287 0.418 0.000 0.846 62 K CB 2.028 34.730 32.500 0.338 0.000 1.141 62 K HN 0.908 nan 8.250 nan 0.000 0.434 63 G N 0.462 109.522 108.800 0.434 0.000 2.766 63 G HA2 0.613 4.573 3.960 -0.000 0.000 0.288 63 G HA3 0.613 4.573 3.960 -0.000 0.000 0.288 63 G C -1.692 173.263 174.900 0.092 0.000 1.408 63 G CA -0.670 44.547 45.100 0.194 0.000 0.852 63 G HN 0.475 nan 8.290 nan 0.000 0.487 64 M N 0.948 120.482 119.600 -0.110 0.000 2.326 64 M HA 0.662 5.142 4.480 -0.000 0.000 0.306 64 M C -0.343 175.959 176.300 0.002 0.000 1.054 64 M CA -0.899 54.410 55.300 0.016 0.000 0.922 64 M CB 1.958 34.596 32.600 0.064 0.000 1.632 64 M HN 0.702 nan 8.290 nan 0.000 0.436 65 A N 4.636 127.470 122.820 0.023 0.000 2.457 65 A HA 0.297 4.617 4.320 -0.000 0.000 0.298 65 A C 0.198 177.792 177.584 0.017 0.000 1.288 65 A CA -0.372 51.673 52.037 0.012 0.000 0.956 65 A CB -0.074 18.927 19.000 0.002 0.000 1.135 65 A HN 0.969 nan 8.150 nan 0.000 0.535 66 L N 2.891 124.120 121.223 0.010 0.000 2.121 66 L HA 0.195 4.535 4.340 -0.000 0.000 0.200 66 L C 0.780 177.657 176.870 0.012 0.000 1.077 66 L CA 1.789 56.636 54.840 0.013 0.000 0.766 66 L CB -0.212 41.846 42.059 -0.003 0.000 0.931 66 L HN 0.879 nan 8.230 nan 0.000 0.452 67 N N -0.542 118.162 118.700 0.007 0.000 2.346 67 N HA 0.470 5.210 4.740 -0.000 0.000 0.289 67 N C -1.636 173.877 175.510 0.006 0.000 1.027 67 N CA -0.555 52.499 53.050 0.007 0.000 0.864 67 N CB 1.042 39.532 38.487 0.005 0.000 1.370 67 N HN 0.073 nan 8.380 nan 0.000 0.481 68 L N 1.675 122.900 121.223 0.004 0.000 2.272 68 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 68 L C -0.058 176.812 176.870 0.001 0.000 1.032 68 L CA -0.707 54.132 54.840 -0.001 0.000 0.810 68 L CB 0.698 42.753 42.059 -0.007 0.000 1.205 68 L HN 0.678 nan 8.230 nan 0.000 0.422 69 E N 3.801 124.003 120.200 0.003 0.000 2.339 69 E HA 0.507 4.857 4.350 -0.000 0.000 0.262 69 E C -2.627 173.976 176.600 0.006 0.000 0.934 69 E CA -2.414 53.991 56.400 0.007 0.000 0.802 69 E CB 0.768 30.477 29.700 0.015 0.000 1.275 69 E HN 0.311 nan 8.360 nan 0.000 0.427 70 P HA -0.001 nan 4.420 nan 0.000 0.259 70 P C 0.579 177.899 177.300 0.034 0.000 1.211 70 P CA 1.068 64.176 63.100 0.014 0.000 0.810 70 P CB 0.104 31.814 31.700 0.018 0.000 0.815 71 G N 2.771 111.584 108.800 0.023 0.000 2.234 71 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.235 71 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.235 71 G C -0.108 174.865 174.900 0.121 0.000 0.997 71 G CA 0.307 45.456 45.100 0.082 0.000 0.623 71 G HN 0.776 nan 8.290 nan 0.000 0.514 72 Q N -1.076 118.766 119.800 0.069 0.000 2.482 72 Q HA 0.741 5.081 4.340 -0.000 0.000 0.286 72 Q C -1.431 174.588 176.000 0.032 0.000 1.007 72 Q CA -1.166 54.685 55.803 0.081 0.000 0.801 72 Q CB 2.553 31.364 28.738 0.123 0.000 1.455 72 Q HN 0.499 nan 8.270 nan 0.000 0.398 73 V N 0.960 120.892 119.914 0.031 0.000 2.487 73 V HA 0.693 4.813 4.120 -0.000 0.000 0.298 73 V C 0.193 176.308 176.094 0.035 0.000 1.028 73 V CA -0.343 61.967 62.300 0.017 0.000 0.860 73 V CB 1.605 33.425 31.823 -0.004 0.000 0.991 73 V HN 0.869 nan 8.190 nan 0.000 0.427 74 G N 5.019 113.834 108.800 0.026 0.000 2.339 74 G HA2 0.659 4.619 3.960 -0.000 0.000 0.287 74 G HA3 0.659 4.619 3.960 -0.000 0.000 0.287 74 G C -0.686 174.230 174.900 0.026 0.000 1.163 74 G CA -0.265 44.851 45.100 0.026 0.000 0.872 74 G HN 0.611 nan 8.290 nan 0.000 0.464 75 I N 2.319 122.917 120.570 0.047 0.000 2.466 75 I HA 0.186 4.356 4.170 -0.000 0.000 0.289 75 I C -0.327 175.797 176.117 0.012 0.000 1.026 75 I CA -0.971 60.364 61.300 0.059 0.000 1.078 75 I CB 2.423 40.530 38.000 0.177 0.000 1.249 75 I HN 0.076 nan 8.210 nan 0.000 0.429 76 V N 6.955 126.827 119.914 -0.070 0.000 2.461 76 V HA 0.286 4.406 4.120 -0.000 0.000 0.275 76 V C 0.306 176.231 176.094 -0.282 0.000 1.047 76 V CA -0.431 61.772 62.300 -0.162 0.000 0.955 76 V CB 1.228 32.936 31.823 -0.191 0.000 0.988 76 V HN 0.451 nan 8.190 nan 0.000 0.471 77 L N 4.842 125.933 121.223 -0.220 0.000 2.326 77 L HA 0.412 4.752 4.340 -0.000 0.000 0.278 77 L C -0.168 176.587 176.870 -0.191 0.000 1.092 77 L CA -0.266 54.457 54.840 -0.194 0.000 0.810 77 L CB 0.588 42.549 42.059 -0.163 0.000 1.153 77 L HN 0.506 nan 8.230 nan 0.000 0.439 78 F N 1.958 121.963 119.950 0.092 0.000 2.980 78 F HA 0.514 5.041 4.527 -0.000 0.000 0.299 78 F C 0.965 176.799 175.800 0.057 0.000 1.211 78 F CA -0.533 57.519 58.000 0.087 0.000 1.328 78 F CB 0.119 39.180 39.000 0.101 0.000 1.154 78 F HN 0.538 nan 8.300 nan 0.000 0.528 79 G N -1.103 107.791 108.800 0.156 0.000 2.320 79 G HA2 0.271 4.231 3.960 -0.000 0.000 0.296 79 G HA3 0.271 4.231 3.960 -0.000 0.000 0.296 79 G C -1.271 173.641 174.900 0.020 0.000 1.306 79 G CA -0.892 44.261 45.100 0.088 0.000 0.836 79 G HN 0.008 nan 8.290 nan 0.000 0.517 80 S N -1.021 114.682 115.700 0.004 0.000 2.579 80 S HA 0.278 4.748 4.470 -0.000 0.000 0.275 80 S C 1.090 175.652 174.600 -0.063 0.000 1.345 80 S CA 0.489 58.677 58.200 -0.020 0.000 1.031 80 S CB 0.614 63.808 63.200 -0.011 0.000 0.892 80 S HN 0.428 nan 8.310 nan 0.000 0.529 81 D N 2.193 122.553 120.400 -0.066 0.000 2.178 81 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 81 D C 1.923 178.171 176.300 -0.086 0.000 0.974 81 D CA 0.870 54.815 54.000 -0.093 0.000 0.841 81 D CB -0.219 40.539 40.800 -0.070 0.000 0.953 81 D HN 0.618 nan 8.370 nan 0.000 0.478 82 R N 0.592 121.058 120.500 -0.056 0.000 2.133 82 R HA -0.131 4.209 4.340 -0.000 0.000 0.247 82 R C 1.755 178.022 176.300 -0.055 0.000 1.151 82 R CA 1.022 57.096 56.100 -0.044 0.000 0.971 82 R CB -0.340 29.945 30.300 -0.025 0.000 0.866 82 R HN 0.227 nan 8.270 nan 0.000 0.447 83 L N 0.550 121.730 121.223 -0.072 0.000 2.622 83 L HA 0.069 4.409 4.340 -0.000 0.000 0.233 83 L C -0.188 176.614 176.870 -0.114 0.000 1.156 83 L CA -0.015 54.783 54.840 -0.071 0.000 0.866 83 L CB 0.446 42.471 42.059 -0.055 0.000 0.980 83 L HN -0.012 nan 8.230 nan 0.000 0.448 84 V N -0.301 119.514 119.914 -0.165 0.000 2.656 84 V HA 0.363 4.483 4.120 -0.000 0.000 0.307 84 V C -0.344 175.691 176.094 -0.098 0.000 1.051 84 V CA -0.883 61.296 62.300 -0.202 0.000 0.893 84 V CB 2.348 33.877 31.823 -0.489 0.000 0.999 84 V HN 0.062 nan 8.190 nan 0.000 0.426 85 K N 1.840 122.219 120.400 -0.034 0.000 2.385 85 K HA 0.473 4.793 4.320 -0.000 0.000 0.248 85 K C -0.522 176.089 176.600 0.019 0.000 0.955 85 K CA -0.865 55.418 56.287 -0.008 0.000 0.816 85 K CB 2.694 35.197 32.500 0.005 0.000 1.250 85 K HN 0.792 nan 8.250 nan 0.000 0.434 86 E N 0.319 120.527 120.200 0.014 0.000 2.529 86 E HA -0.047 4.303 4.350 -0.000 0.000 0.259 86 E C 0.609 177.229 176.600 0.034 0.000 0.966 86 E CA 1.421 57.836 56.400 0.025 0.000 0.937 86 E CB 0.118 29.824 29.700 0.010 0.000 0.923 86 E HN 0.774 nan 8.360 nan 0.000 0.468 87 G N 3.608 112.438 108.800 0.049 0.000 2.217 87 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 87 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 87 G C 0.131 175.070 174.900 0.065 0.000 0.990 87 G CA 0.255 45.384 45.100 0.049 0.000 0.627 87 G HN 0.621 nan 8.290 nan 0.000 0.522 88 E N -0.165 120.083 120.200 0.081 0.000 2.422 88 E HA 0.401 4.751 4.350 -0.000 0.000 0.260 88 E C 0.224 176.890 176.600 0.110 0.000 1.108 88 E CA -0.498 55.961 56.400 0.098 0.000 0.943 88 E CB 0.874 30.650 29.700 0.126 0.000 0.961 88 E HN 0.253 nan 8.360 nan 0.000 0.443 89 L N 2.570 123.847 121.223 0.089 0.000 2.349 89 L HA 0.155 4.495 4.340 -0.000 0.000 0.275 89 L C -1.013 175.882 176.870 0.041 0.000 1.115 89 L CA -0.046 54.830 54.840 0.060 0.000 0.820 89 L CB 1.113 43.195 42.059 0.038 0.000 1.135 89 L HN 0.185 nan 8.230 nan 0.000 0.445 90 V N 4.393 124.289 119.914 -0.029 0.000 2.540 90 V HA 0.510 4.630 4.120 -0.000 0.000 0.302 90 V C -0.342 175.654 176.094 -0.164 0.000 1.035 90 V CA -0.996 61.189 62.300 -0.192 0.000 0.873 90 V CB 1.632 33.270 31.823 -0.309 0.000 0.992 90 V HN 0.645 nan 8.190 nan 0.000 0.428 91 K N 3.388 123.674 120.400 -0.189 0.000 2.221 91 K HA 0.601 4.921 4.320 -0.000 0.000 0.258 91 K C -0.180 176.341 176.600 -0.133 0.000 0.944 91 K CA -0.820 55.394 56.287 -0.121 0.000 0.823 91 K CB 2.261 34.717 32.500 -0.074 0.000 1.113 91 K HN 0.572 nan 8.250 nan 0.000 0.431 92 R N 0.308 120.751 120.500 -0.094 0.000 2.863 92 R HA 0.051 4.391 4.340 -0.000 0.000 0.273 92 R C 0.474 176.743 176.300 -0.052 0.000 1.057 92 R CA 0.400 56.456 56.100 -0.073 0.000 1.191 92 R CB 0.356 30.623 30.300 -0.054 0.000 1.104 92 R HN 0.656 nan 8.270 nan 0.000 0.519 93 T N -1.018 113.515 114.554 -0.035 0.000 2.969 93 T HA 0.164 4.514 4.350 -0.000 0.000 0.258 93 T C 1.047 175.739 174.700 -0.012 0.000 0.962 93 T CA 0.310 62.399 62.100 -0.018 0.000 0.903 93 T CB 0.915 69.779 68.868 -0.005 0.000 1.177 93 T HN 0.881 nan 8.240 nan 0.000 0.511 94 G N 2.567 111.359 108.800 -0.014 0.000 2.179 94 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 94 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 94 G C -0.181 174.717 174.900 -0.003 0.000 0.977 94 G CA -0.189 44.905 45.100 -0.010 0.000 0.641 94 G HN 0.482 nan 8.290 nan 0.000 0.533 95 N N 0.449 119.150 118.700 0.002 0.000 2.321 95 N HA 0.534 5.274 4.740 -0.000 0.000 0.299 95 N C 0.351 175.871 175.510 0.016 0.000 1.048 95 N CA -0.705 52.350 53.050 0.007 0.000 0.836 95 N CB 1.336 39.827 38.487 0.007 0.000 1.269 95 N HN 0.049 nan 8.380 nan 0.000 0.486 96 I N 1.374 121.954 120.570 0.016 0.000 2.692 96 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 96 I C 0.867 177.000 176.117 0.028 0.000 1.159 96 I CA -0.336 60.978 61.300 0.024 0.000 1.423 96 I CB -0.120 37.889 38.000 0.015 0.000 1.380 96 I HN 0.175 nan 8.210 nan 0.000 0.580 97 V N 6.547 126.491 119.914 0.049 0.000 2.742 97 V HA -0.078 4.042 4.120 -0.000 0.000 0.302 97 V C 0.327 176.423 176.094 0.005 0.000 1.133 97 V CA 0.508 62.835 62.300 0.045 0.000 1.284 97 V CB -0.776 31.098 31.823 0.086 0.000 0.850 97 V HN 0.975 nan 8.190 nan 0.000 0.494 98 D N 3.551 123.943 120.400 -0.013 0.000 2.615 98 D HA 0.699 5.339 4.640 -0.000 0.000 0.267 98 D C -0.936 175.347 176.300 -0.029 0.000 1.236 98 D CA -0.539 53.453 54.000 -0.014 0.000 0.839 98 D CB 2.254 43.051 40.800 -0.005 0.000 1.380 98 D HN 0.531 nan 8.370 nan 0.000 0.433 99 V N -4.417 115.484 119.914 -0.022 0.000 2.971 99 V HA 0.665 4.785 4.120 -0.000 0.000 0.309 99 V C -2.990 173.085 176.094 -0.032 0.000 1.130 99 V CA -2.179 60.103 62.300 -0.030 0.000 0.964 99 V CB 1.665 33.474 31.823 -0.023 0.000 1.029 99 V HN 0.433 nan 8.190 nan 0.000 0.427 100 P HA 0.404 nan 4.420 nan 0.000 0.268 100 P C -0.505 176.740 177.300 -0.090 0.000 1.205 100 P CA 0.103 63.162 63.100 -0.067 0.000 0.771 100 P CB 0.967 32.626 31.700 -0.069 0.000 0.858 101 V N -0.309 119.520 119.914 -0.142 0.000 3.130 101 V HA 1.031 5.151 4.120 -0.000 0.000 0.310 101 V C -0.066 175.717 176.094 -0.518 0.000 1.158 101 V CA -0.317 61.842 62.300 -0.236 0.000 1.029 101 V CB 1.529 33.285 31.823 -0.111 0.000 1.057 101 V HN 0.939 nan 8.190 nan 0.000 0.436 102 G N 1.515 109.740 108.800 -0.960 0.000 2.354 102 G HA2 0.202 4.162 3.960 -0.000 0.000 0.582 102 G HA3 0.202 4.162 3.960 -0.000 0.000 0.582 102 G C -2.558 171.569 174.900 -1.288 0.000 1.316 102 G CA 0.031 44.111 45.100 -1.701 0.000 0.995 102 G HN 0.749 nan 8.290 nan 0.000 0.573 103 P HA 0.034 nan 4.420 nan 0.000 0.221 103 P C 1.829 178.966 177.300 -0.271 0.000 1.150 103 P CA 1.754 64.481 63.100 -0.622 0.000 0.800 103 P CB -0.147 31.302 31.700 -0.418 0.000 0.787 104 G N 0.023 108.653 108.800 -0.284 0.000 2.625 104 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 104 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 104 G C 1.224 176.060 174.900 -0.106 0.000 1.132 104 G CA 0.150 45.159 45.100 -0.151 0.000 0.782 104 G HN 0.196 nan 8.290 nan 0.000 0.538 105 L N -0.200 120.951 121.223 -0.121 0.000 2.554 105 L HA 0.307 4.647 4.340 -0.000 0.000 0.226 105 L C 0.978 177.852 176.870 0.007 0.000 1.137 105 L CA -0.043 54.763 54.840 -0.056 0.000 0.863 105 L CB -0.280 41.743 42.059 -0.059 0.000 0.985 105 L HN 0.044 nan 8.230 nan 0.000 0.451 106 L N 0.171 121.415 121.223 0.035 0.000 2.485 106 L HA 0.254 4.594 4.340 -0.000 0.000 0.275 106 L C 1.492 178.387 176.870 0.042 0.000 1.207 106 L CA 1.193 56.083 54.840 0.083 0.000 0.855 106 L CB -0.016 42.129 42.059 0.143 0.000 1.114 106 L HN 0.337 nan 8.230 nan 0.000 0.485 107 G N 1.415 110.232 108.800 0.027 0.000 2.153 107 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 107 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 107 G C 0.319 175.215 174.900 -0.008 0.000 0.994 107 G CA -0.154 44.943 45.100 -0.006 0.000 0.698 107 G HN 0.402 nan 8.290 nan 0.000 0.521 108 R N -0.776 119.725 120.500 0.001 0.000 2.778 108 R HA 0.712 5.052 4.340 -0.000 0.000 0.277 108 R C -0.191 176.111 176.300 0.004 0.000 0.977 108 R CA -0.804 55.294 56.100 -0.002 0.000 0.950 108 R CB 1.907 32.204 30.300 -0.006 0.000 1.165 108 R HN 0.194 nan 8.270 nan 0.000 0.474 109 V N 2.218 122.133 119.914 0.002 0.000 2.513 109 V HA 0.604 4.724 4.120 -0.000 0.000 0.299 109 V C 0.151 176.250 176.094 0.008 0.000 1.035 109 V CA -0.784 61.523 62.300 0.011 0.000 0.889 109 V CB 1.706 33.535 31.823 0.010 0.000 0.988 109 V HN 0.624 nan 8.190 nan 0.000 0.440 110 V N 0.470 120.392 119.914 0.012 0.000 3.114 110 V HA 0.785 4.905 4.120 -0.000 0.000 0.308 110 V C -0.635 175.461 176.094 0.004 0.000 1.168 110 V CA -0.893 61.409 62.300 0.003 0.000 1.015 110 V CB 2.089 33.909 31.823 -0.005 0.000 1.050 110 V HN 0.817 nan 8.190 nan 0.000 0.433 111 D N 2.229 122.626 120.400 -0.005 0.000 2.425 111 D HA 0.514 5.154 4.640 -0.000 0.000 0.274 111 D C 1.282 177.565 176.300 -0.028 0.000 1.242 111 D CA 0.186 54.180 54.000 -0.009 0.000 1.060 111 D CB 0.877 41.672 40.800 -0.009 0.000 1.112 111 D HN 0.867 nan 8.370 nan 0.000 0.561 112 A N -0.823 121.970 122.820 -0.046 0.000 1.969 112 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 112 A C 2.228 179.740 177.584 -0.120 0.000 1.169 112 A CA 0.856 52.848 52.037 -0.075 0.000 0.635 112 A CB -0.809 18.140 19.000 -0.086 0.000 0.810 112 A HN 0.502 nan 8.150 nan 0.000 0.445 113 L N -1.065 120.071 121.223 -0.144 0.000 2.629 113 L HA 0.230 4.570 4.340 -0.000 0.000 0.230 113 L C 1.600 178.418 176.870 -0.087 0.000 1.151 113 L CA 0.473 55.219 54.840 -0.158 0.000 0.924 113 L CB -0.049 41.893 42.059 -0.196 0.000 1.137 113 L HN 0.570 nan 8.230 nan 0.000 0.457 114 G N -0.445 108.318 108.800 -0.061 0.000 2.179 114 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 114 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 114 G C 0.254 175.134 174.900 -0.035 0.000 0.977 114 G CA -0.211 44.864 45.100 -0.042 0.000 0.641 114 G HN 0.415 nan 8.290 nan 0.000 0.533 115 N N 2.198 120.878 118.700 -0.034 0.000 2.458 115 N HA 0.275 5.015 4.740 -0.000 0.000 0.258 115 N C -2.424 173.078 175.510 -0.015 0.000 1.219 115 N CA -0.427 52.611 53.050 -0.022 0.000 0.902 115 N CB 1.033 39.510 38.487 -0.016 0.000 1.076 115 N HN 0.216 nan 8.380 nan 0.000 0.455 116 P HA 0.096 nan 4.420 nan 0.000 0.276 116 P C 0.503 177.801 177.300 -0.003 0.000 1.253 116 P CA 0.019 63.113 63.100 -0.009 0.000 0.766 116 P CB 0.222 31.915 31.700 -0.011 0.000 0.845 117 I N 0.293 120.863 120.570 0.000 0.000 3.974 117 I HA 0.217 4.387 4.170 -0.000 0.000 0.334 117 I C 0.369 176.488 176.117 0.003 0.000 1.437 117 I CA -0.097 61.206 61.300 0.004 0.000 1.113 117 I CB -0.119 37.886 38.000 0.009 0.000 1.063 117 I HN 0.051 nan 8.210 nan 0.000 0.400 118 D N 0.881 121.281 120.400 -0.000 0.000 2.398 118 D HA 0.142 4.782 4.640 -0.000 0.000 0.210 118 D C 1.510 177.808 176.300 -0.004 0.000 1.094 118 D CA 0.252 54.250 54.000 -0.002 0.000 0.839 118 D CB 0.150 40.947 40.800 -0.005 0.000 0.963 118 D HN 0.367 nan 8.370 nan 0.000 0.506 119 G N 1.186 109.984 108.800 -0.003 0.000 2.249 119 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.273 119 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.273 119 G C 0.609 175.506 174.900 -0.005 0.000 1.036 119 G CA 0.474 45.572 45.100 -0.003 0.000 0.824 119 G HN 0.463 nan 8.290 nan 0.000 0.504 120 K N -0.138 120.259 120.400 -0.007 0.000 2.440 120 K HA 0.472 4.791 4.320 -0.000 0.000 0.206 120 K C 1.443 178.037 176.600 -0.009 0.000 1.025 120 K CA 0.335 56.617 56.287 -0.008 0.000 1.135 120 K CB 0.513 33.007 32.500 -0.009 0.000 0.856 120 K HN 1.367 nan 8.250 nan 0.000 0.502 121 G N 2.144 110.939 108.800 -0.008 0.000 2.512 121 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.210 121 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.210 121 G C -2.843 172.050 174.900 -0.012 0.000 1.295 121 G CA -1.195 43.900 45.100 -0.009 0.000 0.934 121 G HN 0.055 nan 8.290 nan 0.000 0.554 122 P HA 0.569 nan 4.420 nan 0.000 0.282 122 P C 0.109 177.393 177.300 -0.026 0.000 1.249 122 P CA -0.769 62.320 63.100 -0.019 0.000 0.806 122 P CB 0.605 32.294 31.700 -0.018 0.000 0.984 123 I N 2.057 122.607 120.570 -0.032 0.000 2.533 123 I HA -0.005 4.165 4.170 -0.000 0.000 0.284 123 I C 0.701 176.785 176.117 -0.055 0.000 1.109 123 I CA 0.106 61.379 61.300 -0.045 0.000 1.412 123 I CB -0.377 37.593 38.000 -0.050 0.000 1.396 123 I HN 0.413 nan 8.210 nan 0.000 0.543 124 D N 6.331 126.692 120.400 -0.065 0.000 2.402 124 D HA 0.398 5.038 4.640 -0.000 0.000 0.235 124 D C -0.211 176.019 176.300 -0.117 0.000 1.226 124 D CA -0.112 53.842 54.000 -0.077 0.000 0.918 124 D CB 0.431 41.189 40.800 -0.070 0.000 1.043 124 D HN 0.615 nan 8.370 nan 0.000 0.506 125 A N 2.921 125.674 122.820 -0.112 0.000 2.324 125 A HA 0.660 4.980 4.320 -0.000 0.000 0.330 125 A C 0.965 178.459 177.584 -0.149 0.000 1.165 125 A CA -0.163 51.785 52.037 -0.149 0.000 0.813 125 A CB 1.521 20.453 19.000 -0.112 0.000 1.197 125 A HN 0.589 nan 8.150 nan 0.000 0.484 126 A N 1.783 124.470 122.820 -0.221 0.000 1.935 126 A HA 0.509 4.829 4.320 -0.000 0.000 0.214 126 A C 1.202 178.751 177.584 -0.058 0.000 1.178 126 A CA 1.746 53.691 52.037 -0.152 0.000 0.640 126 A CB -0.320 18.535 19.000 -0.241 0.000 0.825 126 A HN 2.037 nan 8.150 nan 0.000 0.447 127 G N -1.547 107.213 108.800 -0.068 0.000 2.500 127 G HA2 0.535 4.495 3.960 -0.000 0.000 0.299 127 G HA3 0.535 4.495 3.960 -0.000 0.000 0.299 127 G C -1.435 173.448 174.900 -0.028 0.000 1.242 127 G CA -0.923 44.166 45.100 -0.019 0.000 0.859 127 G HN 0.213 nan 8.290 nan 0.000 0.481 128 R N -0.120 120.378 120.500 -0.004 0.000 2.538 128 R HA 0.648 4.987 4.340 -0.000 0.000 0.292 128 R C -1.109 175.198 176.300 0.012 0.000 1.008 128 R CA -0.542 55.554 56.100 -0.006 0.000 0.896 128 R CB 2.241 32.534 30.300 -0.011 0.000 1.187 128 R HN 0.473 nan 8.270 nan 0.000 0.440 129 S N 2.002 117.712 115.700 0.017 0.000 2.537 129 S HA 0.470 4.940 4.470 -0.000 0.000 0.301 129 S C 0.016 174.626 174.600 0.017 0.000 1.092 129 S CA -0.972 57.244 58.200 0.027 0.000 1.048 129 S CB 1.687 64.915 63.200 0.048 0.000 1.053 129 S HN 0.389 nan 8.310 nan 0.000 0.501 130 R N 0.539 121.047 120.500 0.015 0.000 2.774 130 R HA 0.301 4.641 4.340 -0.000 0.000 0.269 130 R C 1.417 177.721 176.300 0.007 0.000 1.068 130 R CA 0.074 56.178 56.100 0.006 0.000 1.180 130 R CB 0.114 30.415 30.300 0.002 0.000 1.077 130 R HN 0.777 nan 8.270 nan 0.000 0.513 131 A N 1.714 124.528 122.820 -0.010 0.000 1.841 131 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 131 A C 0.511 178.078 177.584 -0.029 0.000 1.195 131 A CA 1.069 53.097 52.037 -0.014 0.000 0.611 131 A CB -0.021 18.947 19.000 -0.053 0.000 0.835 131 A HN 0.549 nan 8.150 nan 0.000 0.443 132 Q N 0.674 120.416 119.800 -0.096 0.000 2.377 132 Q HA 0.444 4.784 4.340 -0.000 0.000 0.249 132 Q C -1.273 174.701 176.000 -0.043 0.000 1.005 132 Q CA 0.012 55.733 55.803 -0.136 0.000 0.912 132 Q CB 1.181 29.793 28.738 -0.211 0.000 1.223 132 Q HN 0.224 nan 8.270 nan 0.000 0.459 133 V N 2.718 122.631 119.914 -0.001 0.000 2.513 133 V HA 0.313 4.433 4.120 -0.000 0.000 0.299 133 V C 0.338 176.447 176.094 0.024 0.000 1.035 133 V CA -0.895 61.415 62.300 0.018 0.000 0.889 133 V CB 2.224 34.068 31.823 0.035 0.000 0.988 133 V HN 0.565 nan 8.190 nan 0.000 0.440 134 K N 2.341 122.756 120.400 0.025 0.000 2.295 134 K HA 0.578 4.898 4.320 -0.000 0.000 0.270 134 K C 0.230 176.852 176.600 0.037 0.000 1.011 134 K CA -0.181 56.126 56.287 0.034 0.000 0.953 134 K CB 0.979 33.500 32.500 0.035 0.000 0.956 134 K HN 0.890 nan 8.250 nan 0.000 0.477 135 A N 4.667 127.513 122.820 0.043 0.000 2.371 135 A HA 0.305 4.625 4.320 -0.000 0.000 0.257 135 A C -2.131 175.474 177.584 0.035 0.000 1.089 135 A CA -1.270 50.792 52.037 0.041 0.000 0.794 135 A CB -0.243 18.784 19.000 0.045 0.000 1.029 135 A HN 0.578 nan 8.150 nan 0.000 0.488 136 P HA 0.157 nan 4.420 nan 0.000 0.265 136 P C 0.575 177.891 177.300 0.027 0.000 1.193 136 P CA 0.418 63.531 63.100 0.023 0.000 0.765 136 P CB 0.527 32.238 31.700 0.019 0.000 0.823 137 G N 1.731 110.545 108.800 0.024 0.000 2.485 137 G HA2 0.162 4.122 3.960 -0.000 0.000 0.260 137 G HA3 0.162 4.122 3.960 -0.000 0.000 0.260 137 G C 1.079 175.994 174.900 0.024 0.000 1.459 137 G CA -0.553 44.563 45.100 0.026 0.000 1.060 137 G HN 0.320 nan 8.290 nan 0.000 0.546 138 I N -0.830 119.754 120.570 0.023 0.000 2.163 138 I HA -0.109 4.061 4.170 -0.000 0.000 0.243 138 I C 2.617 178.746 176.117 0.019 0.000 1.085 138 I CA 0.830 62.144 61.300 0.022 0.000 1.347 138 I CB -0.353 37.660 38.000 0.021 0.000 1.044 138 I HN 0.260 nan 8.210 nan 0.000 0.408 139 L N 0.637 121.870 121.223 0.015 0.000 2.044 139 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 139 L C -0.506 176.371 176.870 0.012 0.000 1.075 139 L CA 1.873 56.720 54.840 0.012 0.000 0.747 139 L CB -1.602 40.462 42.059 0.009 0.000 0.903 139 L HN 0.155 nan 8.230 nan 0.000 0.435 140 P HA -0.070 nan 4.420 nan 0.000 0.236 140 P C -0.185 177.123 177.300 0.013 0.000 1.172 140 P CA 0.836 63.941 63.100 0.008 0.000 0.759 140 P CB 0.022 31.725 31.700 0.005 0.000 0.843 141 R N -0.147 120.364 120.500 0.019 0.000 2.607 141 R HA 0.642 4.982 4.340 -0.000 0.000 0.261 141 R C 0.428 176.747 176.300 0.031 0.000 1.051 141 R CA -0.747 55.369 56.100 0.026 0.000 1.110 141 R CB 1.377 31.694 30.300 0.029 0.000 1.158 141 R HN -0.099 nan 8.270 nan 0.000 0.543 142 R N 0.314 120.840 120.500 0.044 0.000 2.643 142 R HA 0.163 4.503 4.340 -0.000 0.000 0.269 142 R C -1.090 175.253 176.300 0.072 0.000 1.037 142 R CA -0.491 55.642 56.100 0.055 0.000 0.894 142 R CB 1.975 32.316 30.300 0.069 0.000 1.238 142 R HN 0.916 nan 8.270 nan 0.000 0.459 143 S N 1.513 117.256 115.700 0.071 0.000 2.563 143 S HA 0.092 4.562 4.470 -0.000 0.000 0.284 143 S C 0.767 175.444 174.600 0.129 0.000 1.331 143 S CA -0.552 57.696 58.200 0.079 0.000 1.047 143 S CB 0.564 63.800 63.200 0.060 0.000 0.859 143 S HN 0.474 nan 8.310 nan 0.000 0.514 144 V N 1.917 121.883 119.914 0.086 0.000 2.655 144 V HA 0.344 4.464 4.120 -0.000 0.000 0.300 144 V C 1.108 177.263 176.094 0.100 0.000 1.044 144 V CA 0.178 62.510 62.300 0.054 0.000 1.095 144 V CB -0.135 31.695 31.823 0.011 0.000 0.952 144 V HN 1.207 nan 8.190 nan 0.000 0.485 145 H N 0.787 119.845 119.070 -0.020 0.000 3.627 145 H HA 0.424 4.980 4.556 -0.000 0.000 0.262 145 H C -0.304 174.990 175.328 -0.056 0.000 1.166 145 H CA -0.394 55.636 56.048 -0.030 0.000 1.122 145 H CB 0.329 30.079 29.762 -0.020 0.000 1.787 145 H HN 0.710 nan 8.280 nan 0.000 0.783 146 E N 3.034 122.999 120.200 -0.392 0.000 2.199 146 E HA 0.387 4.737 4.350 -0.000 0.000 0.269 146 E C -2.875 173.571 176.600 -0.255 0.000 0.899 146 E CA -2.160 54.019 56.400 -0.368 0.000 0.772 146 E CB 2.454 31.848 29.700 -0.510 0.000 1.155 146 E HN 0.165 nan 8.360 nan 0.000 0.408 147 P HA 0.059 nan 4.420 nan 0.000 0.279 147 P C -0.724 176.428 177.300 -0.246 0.000 1.239 147 P CA -0.407 62.577 63.100 -0.192 0.000 0.789 147 P CB 0.713 32.313 31.700 -0.167 0.000 0.933 148 V N 4.279 124.091 119.914 -0.170 0.000 2.288 148 V HA 0.155 4.275 4.120 -0.000 0.000 0.266 148 V C 0.491 176.526 176.094 -0.098 0.000 1.048 148 V CA -0.268 61.937 62.300 -0.159 0.000 0.842 148 V CB -0.123 31.641 31.823 -0.099 0.000 1.064 148 V HN 0.481 nan 8.190 nan 0.000 0.472 149 Q N 2.181 121.911 119.800 -0.117 0.000 2.281 149 Q HA 0.145 4.485 4.340 -0.000 0.000 0.267 149 Q C 1.381 177.438 176.000 0.095 0.000 1.053 149 Q CA 0.260 56.079 55.803 0.026 0.000 0.905 149 Q CB 1.085 29.908 28.738 0.141 0.000 1.195 149 Q HN 0.913 nan 8.270 nan 0.000 0.398 150 T N -1.132 113.466 114.554 0.073 0.000 3.035 150 T HA 0.152 4.502 4.350 -0.000 0.000 0.259 150 T C 1.353 176.106 174.700 0.088 0.000 1.078 150 T CA 0.418 62.563 62.100 0.074 0.000 1.132 150 T CB 0.146 69.044 68.868 0.049 0.000 0.900 150 T HN 0.852 nan 8.240 nan 0.000 0.480 151 G N 1.267 110.122 108.800 0.092 0.000 2.159 151 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.256 151 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.256 151 G C -0.128 174.806 174.900 0.057 0.000 0.977 151 G CA 0.158 45.304 45.100 0.077 0.000 0.652 151 G HN 0.640 nan 8.290 nan 0.000 0.531 152 L N 0.033 121.288 121.223 0.053 0.000 2.282 152 L HA 0.438 4.778 4.340 -0.000 0.000 0.288 152 L C 1.666 178.565 176.870 0.049 0.000 1.033 152 L CA -0.929 53.938 54.840 0.045 0.000 0.807 152 L CB 1.355 43.437 42.059 0.039 0.000 1.209 152 L HN 0.028 nan 8.230 nan 0.000 0.423 153 K N 2.259 122.688 120.400 0.050 0.000 2.032 153 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 153 K C 1.962 178.594 176.600 0.053 0.000 1.048 153 K CA 1.773 58.093 56.287 0.054 0.000 0.927 153 K CB -0.098 32.437 32.500 0.058 0.000 0.712 153 K HN 0.807 nan 8.250 nan 0.000 0.441 154 A N 0.803 123.655 122.820 0.052 0.000 1.930 154 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 154 A C 2.338 179.954 177.584 0.054 0.000 1.175 154 A CA 1.269 53.339 52.037 0.055 0.000 0.627 154 A CB -0.426 18.608 19.000 0.056 0.000 0.815 154 A HN 0.070 nan 8.150 nan 0.000 0.443 155 V N 0.286 120.229 119.914 0.049 0.000 2.273 155 V HA -0.168 3.952 4.120 -0.000 0.000 0.242 155 V C 2.157 178.276 176.094 0.043 0.000 1.035 155 V CA 2.081 64.408 62.300 0.045 0.000 1.013 155 V CB -0.830 31.017 31.823 0.040 0.000 0.652 155 V HN 0.442 nan 8.190 nan 0.000 0.452 156 D N 0.592 121.018 120.400 0.043 0.000 2.158 156 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 156 D C 2.052 178.376 176.300 0.040 0.000 0.995 156 D CA 1.778 55.802 54.000 0.040 0.000 0.846 156 D CB -0.241 40.587 40.800 0.047 0.000 0.941 156 D HN 0.455 nan 8.370 nan 0.000 0.456 157 A N -0.474 122.374 122.820 0.047 0.000 1.935 157 A HA 0.075 4.395 4.320 -0.000 0.000 0.214 157 A C 2.191 179.804 177.584 0.049 0.000 1.178 157 A CA 0.573 52.639 52.037 0.048 0.000 0.640 157 A CB -0.176 18.856 19.000 0.053 0.000 0.825 157 A HN 0.208 nan 8.150 nan 0.000 0.447 158 L N -0.900 120.354 121.223 0.052 0.000 2.425 158 L HA 0.150 4.490 4.340 -0.000 0.000 0.215 158 L C 0.140 177.041 176.870 0.052 0.000 1.065 158 L CA 0.333 55.207 54.840 0.056 0.000 0.842 158 L CB 0.489 42.588 42.059 0.066 0.000 1.033 158 L HN 0.201 nan 8.230 nan 0.000 0.474 159 V N -2.091 117.852 119.914 0.047 0.000 2.462 159 V HA 0.422 4.542 4.120 -0.000 0.000 0.257 159 V C -2.722 173.392 176.094 0.033 0.000 0.944 159 V CA -1.712 60.613 62.300 0.043 0.000 0.903 159 V CB 0.014 31.867 31.823 0.049 0.000 1.128 159 V HN -0.093 nan 8.190 nan 0.000 0.486 160 P HA 0.441 nan 4.420 nan 0.000 0.271 160 P C -0.439 176.865 177.300 0.007 0.000 1.218 160 P CA 0.129 63.238 63.100 0.015 0.000 0.780 160 P CB 1.750 33.458 31.700 0.013 0.000 0.901 161 I N 1.107 121.673 120.570 -0.007 0.000 2.433 161 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 161 I C 1.003 177.096 176.117 -0.040 0.000 1.001 161 I CA -0.640 60.651 61.300 -0.015 0.000 1.119 161 I CB 2.016 40.008 38.000 -0.012 0.000 1.289 161 I HN 0.317 nan 8.210 nan 0.000 0.438 162 G N 4.612 113.390 108.800 -0.036 0.000 2.451 162 G HA2 0.451 4.411 3.960 -0.000 0.000 0.303 162 G HA3 0.451 4.411 3.960 -0.000 0.000 0.303 162 G C -0.321 174.537 174.900 -0.070 0.000 1.166 162 G CA -0.746 44.318 45.100 -0.060 0.000 0.884 162 G HN 0.535 nan 8.290 nan 0.000 0.514 163 R N 0.394 120.827 120.500 -0.112 0.000 2.288 163 R HA 0.390 4.730 4.340 -0.000 0.000 0.330 163 R C 1.042 177.330 176.300 -0.021 0.000 1.069 163 R CA 0.921 56.971 56.100 -0.083 0.000 0.941 163 R CB 0.657 30.864 30.300 -0.154 0.000 0.998 163 R HN 1.031 nan 8.270 nan 0.000 0.452 164 G N 1.934 110.739 108.800 0.008 0.000 2.184 164 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.206 164 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.206 164 G C 0.155 175.068 174.900 0.021 0.000 0.995 164 G CA -0.311 44.805 45.100 0.026 0.000 0.651 164 G HN 0.565 nan 8.290 nan 0.000 0.511 165 Q N 0.084 119.889 119.800 0.009 0.000 2.317 165 Q HA 0.674 5.014 4.340 -0.000 0.000 0.229 165 Q C 0.049 176.060 176.000 0.017 0.000 0.984 165 Q CA -0.524 55.287 55.803 0.013 0.000 0.911 165 Q CB 0.481 29.222 28.738 0.005 0.000 1.217 165 Q HN 0.420 nan 8.270 nan 0.000 0.501 166 R N 1.933 122.447 120.500 0.022 0.000 2.409 166 R HA 0.287 4.627 4.340 -0.000 0.000 0.313 166 R C -1.396 174.917 176.300 0.022 0.000 0.953 166 R CA -0.573 55.542 56.100 0.026 0.000 0.849 166 R CB 1.563 31.883 30.300 0.032 0.000 1.171 166 R HN 0.412 nan 8.270 nan 0.000 0.458 167 E N 3.135 123.347 120.200 0.019 0.000 2.182 167 E HA 0.192 4.542 4.350 -0.000 0.000 0.258 167 E C -1.465 175.148 176.600 0.022 0.000 0.879 167 E CA -0.917 55.496 56.400 0.021 0.000 0.754 167 E CB 1.053 30.765 29.700 0.019 0.000 1.162 167 E HN 0.358 nan 8.360 nan 0.000 0.419 168 L N 5.600 126.838 121.223 0.025 0.000 2.367 168 L HA 0.421 4.761 4.340 -0.000 0.000 0.275 168 L C -0.849 176.041 176.870 0.033 0.000 1.129 168 L CA 0.248 55.100 54.840 0.021 0.000 0.839 168 L CB 0.391 42.461 42.059 0.018 0.000 1.133 168 L HN 0.632 nan 8.230 nan 0.000 0.453 169 I N 7.171 127.754 120.570 0.022 0.000 2.307 169 I HA 0.375 4.545 4.170 -0.000 0.000 0.289 169 I C -0.268 175.860 176.117 0.018 0.000 1.021 169 I CA -0.158 61.154 61.300 0.021 0.000 1.224 169 I CB 1.009 39.013 38.000 0.007 0.000 1.376 169 I HN 0.570 nan 8.210 nan 0.000 0.470 170 I N 5.398 125.995 120.570 0.044 0.000 2.582 170 I HA 0.852 5.022 4.170 -0.000 0.000 0.292 170 I C -0.345 175.767 176.117 -0.009 0.000 1.066 170 I CA -0.027 61.316 61.300 0.071 0.000 1.053 170 I CB 2.041 40.141 38.000 0.167 0.000 1.241 170 I HN 0.713 nan 8.210 nan 0.000 0.421 171 G N 5.095 113.860 108.800 -0.060 0.000 2.322 171 G HA2 0.171 4.131 3.960 -0.000 0.000 0.295 171 G HA3 0.171 4.131 3.960 -0.000 0.000 0.295 171 G C -1.864 172.967 174.900 -0.115 0.000 1.369 171 G CA -0.710 44.249 45.100 -0.235 0.000 0.821 171 G HN 0.480 nan 8.290 nan 0.000 0.536 172 D N -0.153 120.167 120.400 -0.134 0.000 2.369 172 D HA 0.264 4.904 4.640 -0.000 0.000 0.241 172 D C 1.104 177.341 176.300 -0.104 0.000 1.271 172 D CA -0.065 53.892 54.000 -0.073 0.000 0.942 172 D CB 0.528 41.295 40.800 -0.054 0.000 1.129 172 D HN 0.526 nan 8.370 nan 0.000 0.476 173 R N 0.824 121.284 120.500 -0.067 0.000 2.585 173 R HA -0.092 4.248 4.340 -0.000 0.000 0.275 173 R C -0.175 176.046 176.300 -0.132 0.000 1.018 173 R CA 0.243 56.301 56.100 -0.071 0.000 1.072 173 R CB 0.103 30.385 30.300 -0.030 0.000 0.953 173 R HN 0.285 nan 8.270 nan 0.000 0.419 174 Q N 1.611 121.312 119.800 -0.165 0.000 2.464 174 Q HA -0.142 4.198 4.340 -0.000 0.000 0.304 174 Q C -0.018 175.602 176.000 -0.633 0.000 1.401 174 Q CA 1.566 57.212 55.803 -0.262 0.000 0.806 174 Q CB -1.744 26.916 28.738 -0.131 0.000 1.134 174 Q HN 0.957 nan 8.270 nan 0.000 0.411 175 T N -5.063 109.105 114.554 -0.643 0.000 3.040 175 T HA 0.460 4.810 4.350 -0.000 0.000 0.266 175 T C 1.074 175.331 174.700 -0.737 0.000 1.005 175 T CA 0.619 62.170 62.100 -0.915 0.000 0.906 175 T CB 1.185 69.778 68.868 -0.457 0.000 1.082 175 T HN 0.887 nan 8.240 nan 0.000 0.531 176 G N 1.953 110.472 108.800 -0.469 0.000 2.145 176 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.176 176 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.176 176 G C 0.657 175.503 174.900 -0.090 0.000 1.013 176 G CA 0.163 45.169 45.100 -0.156 0.000 0.689 176 G HN 0.490 nan 8.290 nan 0.000 0.506 177 K N -0.358 119.975 120.400 -0.111 0.000 1.985 177 K HA -0.049 4.271 4.320 -0.000 0.000 0.210 177 K C 2.535 179.128 176.600 -0.012 0.000 1.047 177 K CA 1.857 58.108 56.287 -0.059 0.000 0.932 177 K CB -0.417 32.045 32.500 -0.062 0.000 0.716 177 K HN 0.258 nan 8.250 nan 0.000 0.439 178 T N 1.397 115.955 114.554 0.007 0.000 2.803 178 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 178 T C 1.981 176.693 174.700 0.021 0.000 1.052 178 T CA 1.375 63.507 62.100 0.055 0.000 1.136 178 T CB -0.292 68.620 68.868 0.073 0.000 0.864 178 T HN 0.362 nan 8.240 nan 0.000 0.467 179 A N 0.765 123.575 122.820 -0.016 0.000 1.972 179 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 179 A C 2.543 180.105 177.584 -0.036 0.000 1.169 179 A CA 1.096 53.100 52.037 -0.055 0.000 0.635 179 A CB -0.772 18.185 19.000 -0.071 0.000 0.810 179 A HN 0.386 nan 8.150 nan 0.000 0.446 180 V N -0.346 119.564 119.914 -0.008 0.000 2.323 180 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 180 V C 3.046 179.154 176.094 0.023 0.000 1.041 180 V CA 1.826 64.130 62.300 0.007 0.000 1.025 180 V CB -1.163 30.666 31.823 0.010 0.000 0.656 180 V HN 0.588 nan 8.190 nan 0.000 0.451 181 A N -0.307 122.535 122.820 0.037 0.000 1.933 181 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 181 A C 2.148 179.769 177.584 0.062 0.000 1.175 181 A CA 2.052 54.126 52.037 0.062 0.000 0.628 181 A CB -0.515 18.547 19.000 0.103 0.000 0.814 181 A HN 0.456 nan 8.150 nan 0.000 0.444 182 L N -0.258 120.986 121.223 0.035 0.000 2.109 182 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 182 L C 1.524 178.419 176.870 0.041 0.000 1.086 182 L CA 2.298 57.143 54.840 0.008 0.000 0.760 182 L CB -0.455 41.587 42.059 -0.029 0.000 0.910 182 L HN 0.333 nan 8.230 nan 0.000 0.437 183 D N -1.404 119.015 120.400 0.031 0.000 2.178 183 D HA -0.139 4.501 4.640 -0.000 0.000 0.202 183 D C 1.982 178.330 176.300 0.080 0.000 0.974 183 D CA 1.490 55.523 54.000 0.055 0.000 0.841 183 D CB 0.076 40.885 40.800 0.014 0.000 0.953 183 D HN 0.316 nan 8.370 nan 0.000 0.478 184 T N 0.089 114.684 114.554 0.069 0.000 2.821 184 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 184 T C 2.021 176.786 174.700 0.107 0.000 1.046 184 T CA 0.583 62.730 62.100 0.079 0.000 1.139 184 T CB -0.113 68.789 68.868 0.058 0.000 0.871 184 T HN 0.160 nan 8.240 nan 0.000 0.454 185 I N 0.697 121.336 120.570 0.116 0.000 2.252 185 I HA -0.087 4.082 4.170 -0.000 0.000 0.245 185 I C 2.147 178.415 176.117 0.250 0.000 1.102 185 I CA 1.099 62.504 61.300 0.176 0.000 1.385 185 I CB -0.337 37.739 38.000 0.126 0.000 1.064 185 I HN 0.183 nan 8.210 nan 0.000 0.414 186 L N 0.359 121.697 121.223 0.192 0.000 2.131 186 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 186 L C 2.166 179.150 176.870 0.191 0.000 1.092 186 L CA 1.133 56.110 54.840 0.229 0.000 0.759 186 L CB -0.751 41.458 42.059 0.250 0.000 0.903 186 L HN 0.312 nan 8.230 nan 0.000 0.435 187 N N -0.249 118.537 118.700 0.145 0.000 2.381 187 N HA -0.170 4.570 4.740 -0.000 0.000 0.182 187 N C 1.752 177.311 175.510 0.083 0.000 1.025 187 N CA 0.772 53.880 53.050 0.095 0.000 0.888 187 N CB 0.097 38.663 38.487 0.131 0.000 0.965 187 N HN 0.196 nan 8.380 nan 0.000 0.438 188 Q N 0.150 120.017 119.800 0.112 0.000 2.515 188 Q HA -0.024 4.316 4.340 -0.000 0.000 0.212 188 Q C 1.397 177.250 176.000 -0.245 0.000 0.970 188 Q CA 0.405 56.219 55.803 0.018 0.000 0.941 188 Q CB -0.106 28.526 28.738 -0.177 0.000 0.998 188 Q HN 0.451 nan 8.270 nan 0.000 0.518 189 K N 0.779 121.101 120.400 -0.131 0.000 2.280 189 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 189 K C 1.724 178.176 176.600 -0.247 0.000 1.047 189 K CA 0.622 56.849 56.287 -0.100 0.000 0.942 189 K CB 0.174 32.706 32.500 0.053 0.000 0.739 189 K HN 0.116 nan 8.250 nan 0.000 0.457 190 R N -0.946 119.280 120.500 -0.456 0.000 2.115 190 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 190 R C 1.446 177.220 176.300 -0.877 0.000 1.111 190 R CA 1.356 56.940 56.100 -0.860 0.000 0.976 190 R CB 0.053 29.393 30.300 -1.599 0.000 0.870 190 R HN 0.387 nan 8.270 nan 0.000 0.445 191 W N -1.083 120.114 121.300 -0.171 0.000 2.873 191 W HA 0.223 4.883 4.660 -0.000 0.000 0.282 191 W C 0.969 177.365 176.519 -0.206 0.000 1.118 191 W CA -0.514 56.730 57.345 -0.169 0.000 1.480 191 W CB -0.192 29.164 29.460 -0.173 0.000 0.954 191 W HN 0.029 nan 8.180 nan 0.000 0.591 192 N N 1.396 120.026 118.700 -0.117 0.000 2.512 192 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 192 N C 0.862 176.316 175.510 -0.094 0.000 1.073 192 N CA 0.881 53.790 53.050 -0.235 0.000 0.911 192 N CB -0.373 37.755 38.487 -0.598 0.000 0.964 192 N HN 0.127 nan 8.380 nan 0.000 0.447 193 N N -0.221 118.438 118.700 -0.067 0.000 2.353 193 N HA 0.071 4.811 4.740 -0.000 0.000 0.185 193 N C 1.037 176.539 175.510 -0.013 0.000 1.098 193 N CA 0.118 53.155 53.050 -0.022 0.000 0.872 193 N CB 0.174 38.639 38.487 -0.036 0.000 0.970 193 N HN 0.125 nan 8.380 nan 0.000 0.467 194 G N -0.800 107.994 108.800 -0.011 0.000 2.508 194 G HA2 0.239 4.199 3.960 -0.000 0.000 0.278 194 G HA3 0.239 4.199 3.960 -0.000 0.000 0.278 194 G C 0.631 175.552 174.900 0.034 0.000 1.389 194 G CA -0.285 44.823 45.100 0.013 0.000 1.050 194 G HN 0.124 nan 8.290 nan 0.000 0.522 195 S N -1.044 114.681 115.700 0.042 0.000 2.468 195 S HA 0.062 4.532 4.470 -0.000 0.000 0.226 195 S C 0.635 175.271 174.600 0.061 0.000 1.051 195 S CA 0.071 58.301 58.200 0.050 0.000 0.943 195 S CB 0.046 63.270 63.200 0.040 0.000 0.810 195 S HN 0.634 nan 8.310 nan 0.000 0.509 196 D N 2.178 122.615 120.400 0.062 0.000 2.401 196 D HA 0.070 4.710 4.640 -0.000 0.000 0.254 196 D C 0.922 177.263 176.300 0.069 0.000 1.192 196 D CA 0.230 54.266 54.000 0.061 0.000 0.885 196 D CB 0.574 41.407 40.800 0.054 0.000 1.147 196 D HN -0.023 nan 8.370 nan 0.000 0.478 197 E N 1.657 121.908 120.200 0.084 0.000 2.216 197 E HA -0.109 4.240 4.350 -0.000 0.000 0.192 197 E C 1.840 178.522 176.600 0.137 0.000 0.988 197 E CA 0.603 57.077 56.400 0.122 0.000 0.834 197 E CB -0.061 29.720 29.700 0.135 0.000 0.772 197 E HN 0.608 nan 8.360 nan 0.000 0.479 198 S N 0.606 116.367 115.700 0.101 0.000 2.428 198 S HA -0.000 4.470 4.470 -0.000 0.000 0.230 198 S C 1.726 176.295 174.600 -0.051 0.000 1.014 198 S CA 0.535 58.804 58.200 0.115 0.000 0.957 198 S CB 0.042 63.286 63.200 0.073 0.000 0.784 198 S HN -0.006 nan 8.310 nan 0.000 0.499 199 K N 1.234 121.581 120.400 -0.087 0.000 2.418 199 K HA 0.236 4.556 4.320 -0.000 0.000 0.195 199 K C 0.404 176.858 176.600 -0.244 0.000 1.035 199 K CA 0.311 56.451 56.287 -0.245 0.000 1.003 199 K CB -0.004 32.400 32.500 -0.159 0.000 0.793 199 K HN 0.467 nan 8.250 nan 0.000 0.494 200 K N 0.939 121.277 120.400 -0.104 0.000 2.202 200 K HA 0.171 4.491 4.320 -0.000 0.000 0.264 200 K C -0.509 175.966 176.600 -0.209 0.000 1.010 200 K CA -0.357 55.825 56.287 -0.175 0.000 0.940 200 K CB 0.589 32.967 32.500 -0.203 0.000 0.983 200 K HN -0.196 nan 8.250 nan 0.000 0.475 201 L N 3.536 124.544 121.223 -0.358 0.000 2.555 201 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 201 L C -1.743 174.922 176.870 -0.342 0.000 0.972 201 L CA -0.332 54.362 54.840 -0.244 0.000 0.876 201 L CB 0.659 42.606 42.059 -0.187 0.000 1.216 201 L HN 0.474 nan 8.230 nan 0.000 0.415 202 Y N 2.757 122.940 120.300 -0.194 0.000 2.304 202 Y HA 0.512 5.062 4.550 -0.000 0.000 0.327 202 Y C 0.531 176.331 175.900 -0.166 0.000 1.209 202 Y CA -0.057 57.894 58.100 -0.248 0.000 1.299 202 Y CB 1.053 39.054 38.460 -0.766 0.000 1.249 202 Y HN 0.500 nan 8.280 nan 0.000 0.519 203 C N 2.488 121.867 119.300 0.132 0.000 2.417 203 C HA 0.705 5.165 4.460 -0.000 0.000 0.324 203 C C -0.466 174.568 174.990 0.074 0.000 1.240 203 C CA -1.152 57.925 59.018 0.098 0.000 1.632 203 C CB 0.662 28.501 27.740 0.165 0.000 2.241 203 C HN 0.537 nan 8.230 nan 0.000 0.499 204 V N 3.199 123.139 119.914 0.043 0.000 2.378 204 V HA 0.312 4.432 4.120 -0.000 0.000 0.288 204 V C -0.963 175.148 176.094 0.030 0.000 1.016 204 V CA -0.529 61.796 62.300 0.043 0.000 0.840 204 V CB 1.075 32.913 31.823 0.025 0.000 0.994 204 V HN 0.810 nan 8.190 nan 0.000 0.431 205 Y N 5.170 125.440 120.300 -0.049 0.000 2.331 205 Y HA 0.651 5.201 4.550 -0.000 0.000 0.338 205 Y C -0.298 175.578 175.900 -0.039 0.000 0.976 205 Y CA -0.680 57.386 58.100 -0.057 0.000 1.137 205 Y CB 1.652 40.090 38.460 -0.037 0.000 1.172 205 Y HN 0.434 nan 8.280 nan 0.000 0.478 206 V N 6.053 125.650 119.914 -0.528 0.000 2.328 206 V HA 0.640 4.760 4.120 -0.000 0.000 0.278 206 V C 0.005 175.838 176.094 -0.435 0.000 1.021 206 V CA -0.803 61.310 62.300 -0.313 0.000 0.838 206 V CB 0.738 32.494 31.823 -0.112 0.000 0.999 206 V HN 0.930 nan 8.190 nan 0.000 0.447 207 A N 5.194 127.896 122.820 -0.196 0.000 2.294 207 A HA 0.723 5.043 4.320 -0.000 0.000 0.316 207 A C -0.412 177.160 177.584 -0.019 0.000 1.359 207 A CA -0.377 51.615 52.037 -0.075 0.000 0.956 207 A CB 0.573 19.647 19.000 0.124 0.000 1.155 207 A HN 0.695 nan 8.150 nan 0.000 0.544 208 V N 2.704 122.606 119.914 -0.021 0.000 2.350 208 V HA 0.610 4.730 4.120 -0.000 0.000 0.285 208 V C 1.174 177.291 176.094 0.038 0.000 1.014 208 V CA 0.611 62.920 62.300 0.015 0.000 0.831 208 V CB 0.693 32.522 31.823 0.009 0.000 1.000 208 V HN 1.734 nan 8.190 nan 0.000 0.433 209 G N 4.052 112.884 108.800 0.053 0.000 2.179 209 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 209 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 209 G C 0.210 175.142 174.900 0.054 0.000 0.977 209 G CA 0.389 45.525 45.100 0.060 0.000 0.641 209 G HN 0.618 nan 8.290 nan 0.000 0.533 210 Q N -0.125 119.708 119.800 0.055 0.000 2.318 210 Q HA 0.541 4.881 4.340 -0.000 0.000 0.222 210 Q C 0.411 176.443 176.000 0.053 0.000 1.003 210 Q CA -0.356 55.482 55.803 0.058 0.000 0.936 210 Q CB 0.700 29.485 28.738 0.077 0.000 1.204 210 Q HN 0.338 nan 8.270 nan 0.000 0.524 211 K N 0.919 121.348 120.400 0.049 0.000 2.298 211 K HA 0.108 4.428 4.320 -0.000 0.000 0.280 211 K C 0.975 177.600 176.600 0.041 0.000 1.032 211 K CA -0.136 56.176 56.287 0.041 0.000 0.958 211 K CB 0.730 33.252 32.500 0.035 0.000 0.978 211 K HN 0.425 nan 8.250 nan 0.000 0.472 212 R N 0.829 121.350 120.500 0.036 0.000 2.103 212 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 212 R C 2.221 178.537 176.300 0.026 0.000 1.142 212 R CA 2.262 58.382 56.100 0.032 0.000 0.960 212 R CB -0.407 29.909 30.300 0.026 0.000 0.858 212 R HN 0.795 nan 8.270 nan 0.000 0.439 213 S N -0.136 115.577 115.700 0.022 0.000 2.382 213 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 213 S C 1.979 176.588 174.600 0.015 0.000 1.027 213 S CA 1.782 59.992 58.200 0.016 0.000 0.991 213 S CB -0.524 62.685 63.200 0.015 0.000 0.823 213 S HN 0.223 nan 8.310 nan 0.000 0.469 214 T N 2.370 116.939 114.554 0.024 0.000 2.737 214 T HA -0.008 4.342 4.350 -0.000 0.000 0.265 214 T C 1.940 176.654 174.700 0.022 0.000 1.038 214 T CA 1.451 63.567 62.100 0.026 0.000 1.144 214 T CB -0.607 68.286 68.868 0.041 0.000 0.866 214 T HN 0.311 nan 8.240 nan 0.000 0.434 215 V N 1.814 121.752 119.914 0.041 0.000 2.343 215 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 215 V C 2.882 178.977 176.094 0.000 0.000 1.051 215 V CA 1.661 63.987 62.300 0.043 0.000 1.036 215 V CB -1.203 30.666 31.823 0.077 0.000 0.654 215 V HN 0.525 nan 8.190 nan 0.000 0.451 216 A N -0.931 121.889 122.820 0.001 0.000 1.969 216 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 216 A C 2.178 179.743 177.584 -0.033 0.000 1.169 216 A CA 1.573 53.602 52.037 -0.014 0.000 0.635 216 A CB -0.370 18.626 19.000 -0.006 0.000 0.810 216 A HN 0.624 nan 8.150 nan 0.000 0.445 217 Q N -1.066 118.715 119.800 -0.031 0.000 2.245 217 Q HA 0.094 4.434 4.340 -0.000 0.000 0.201 217 Q C 2.009 177.964 176.000 -0.075 0.000 0.955 217 Q CA 0.898 56.673 55.803 -0.045 0.000 0.870 217 Q CB -0.120 28.602 28.738 -0.026 0.000 0.945 217 Q HN 0.710 nan 8.270 nan 0.000 0.461 218 L N -0.104 121.068 121.223 -0.085 0.000 2.109 218 L HA -0.118 4.221 4.340 -0.000 0.000 0.207 218 L C 2.014 178.781 176.870 -0.171 0.000 1.086 218 L CA 0.614 55.365 54.840 -0.149 0.000 0.760 218 L CB 0.030 41.961 42.059 -0.214 0.000 0.910 218 L HN 0.018 nan 8.230 nan 0.000 0.437 219 V N -0.115 119.724 119.914 -0.125 0.000 2.295 219 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 219 V C 2.493 178.520 176.094 -0.112 0.000 1.049 219 V CA 1.987 64.220 62.300 -0.111 0.000 1.024 219 V CB -0.528 31.255 31.823 -0.066 0.000 0.648 219 V HN 0.548 nan 8.190 nan 0.000 0.447 220 Q N 0.234 119.975 119.800 -0.098 0.000 2.135 220 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 220 Q C 2.130 178.049 176.000 -0.135 0.000 0.981 220 Q CA 2.606 58.351 55.803 -0.096 0.000 0.856 220 Q CB -0.757 27.935 28.738 -0.077 0.000 0.902 220 Q HN 0.623 nan 8.270 nan 0.000 0.425 221 T N 0.896 115.341 114.554 -0.180 0.000 2.708 221 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 221 T C 1.702 176.218 174.700 -0.307 0.000 1.037 221 T CA 1.474 63.399 62.100 -0.291 0.000 1.146 221 T CB -0.331 68.358 68.868 -0.297 0.000 0.865 221 T HN 0.251 nan 8.240 nan 0.000 0.435 222 L N 0.620 121.706 121.223 -0.229 0.000 2.042 222 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 222 L C 2.752 179.537 176.870 -0.142 0.000 1.076 222 L CA 1.554 56.277 54.840 -0.195 0.000 0.749 222 L CB -0.573 41.369 42.059 -0.195 0.000 0.893 222 L HN 0.360 nan 8.230 nan 0.000 0.432 223 E N -0.475 119.655 120.200 -0.117 0.000 2.072 223 E HA -0.255 4.095 4.350 -0.000 0.000 0.191 223 E C 2.244 178.821 176.600 -0.038 0.000 0.985 223 E CA 0.863 57.218 56.400 -0.076 0.000 0.801 223 E CB -0.057 29.604 29.700 -0.065 0.000 0.750 223 E HN 0.481 nan 8.360 nan 0.000 0.452 224 Q N -0.192 119.586 119.800 -0.038 0.000 2.181 224 Q HA -0.182 4.158 4.340 -0.000 0.000 0.205 224 Q C 1.135 177.250 176.000 0.192 0.000 0.980 224 Q CA 1.170 56.997 55.803 0.039 0.000 0.862 224 Q CB 0.049 28.790 28.738 0.005 0.000 0.905 224 Q HN 0.354 nan 8.270 nan 0.000 0.429 225 H N -0.918 118.101 119.070 -0.084 0.000 2.529 225 H HA 0.073 4.629 4.556 -0.000 0.000 0.277 225 H C -0.257 175.047 175.328 -0.041 0.000 1.004 225 H CA 0.360 56.375 56.048 -0.056 0.000 1.167 225 H CB 0.344 30.083 29.762 -0.038 0.000 1.445 225 H HN 0.197 nan 8.280 nan 0.000 0.554 226 D N -0.873 119.561 120.400 0.056 0.000 2.945 226 D HA -0.201 4.439 4.640 -0.000 0.000 0.225 226 D C 1.107 177.382 176.300 -0.042 0.000 1.158 226 D CA 0.807 54.811 54.000 0.008 0.000 0.805 226 D CB -1.153 39.663 40.800 0.026 0.000 1.098 226 D HN 0.460 nan 8.370 nan 0.000 0.426 227 A N -0.986 121.747 122.820 -0.145 0.000 2.220 227 A HA 0.172 4.492 4.320 -0.000 0.000 0.211 227 A C 1.949 179.073 177.584 -0.766 0.000 1.176 227 A CA 1.029 52.750 52.037 -0.526 0.000 0.834 227 A CB -0.129 18.715 19.000 -0.260 0.000 0.868 227 A HN 0.291 nan 8.150 nan 0.000 0.488 228 M N 1.338 120.719 119.600 -0.364 0.000 2.213 228 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 228 M C 2.001 178.169 176.300 -0.220 0.000 1.062 228 M CA 2.041 57.185 55.300 -0.260 0.000 1.105 228 M CB -0.484 32.031 32.600 -0.142 0.000 1.385 228 M HN 0.517 nan 8.290 nan 0.000 0.417 229 K N -0.488 119.805 120.400 -0.179 0.000 2.211 229 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 229 K C 0.924 177.570 176.600 0.077 0.000 1.047 229 K CA 1.897 58.168 56.287 -0.027 0.000 0.935 229 K CB -0.917 31.607 32.500 0.040 0.000 0.728 229 K HN 0.623 nan 8.250 nan 0.000 0.452 230 Y N 0.304 120.648 120.300 0.074 0.000 2.584 230 Y HA 0.400 4.949 4.550 -0.000 0.000 0.254 230 Y C -0.188 175.782 175.900 0.117 0.000 1.177 230 Y CA -1.000 57.170 58.100 0.118 0.000 1.216 230 Y CB -0.007 38.449 38.460 -0.007 0.000 1.172 230 Y HN 0.088 nan 8.280 nan 0.000 0.529 231 S N 0.206 115.915 115.700 0.015 0.000 2.634 231 S HA 0.811 5.281 4.470 -0.000 0.000 0.296 231 S C -1.035 173.592 174.600 0.046 0.000 1.104 231 S CA -0.813 57.411 58.200 0.039 0.000 0.920 231 S CB 2.175 65.341 63.200 -0.055 0.000 1.111 231 S HN 0.212 nan 8.310 nan 0.000 0.493 232 I N 1.586 122.198 120.570 0.070 0.000 2.478 232 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 232 I C -1.098 175.065 176.117 0.076 0.000 1.042 232 I CA -0.797 60.545 61.300 0.070 0.000 1.067 232 I CB 1.680 39.739 38.000 0.098 0.000 1.233 232 I HN 0.506 nan 8.210 nan 0.000 0.431 233 I N 6.890 127.499 120.570 0.065 0.000 2.331 233 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 233 I C -0.087 176.071 176.117 0.069 0.000 0.998 233 I CA -0.759 60.599 61.300 0.096 0.000 1.267 233 I CB 1.466 39.516 38.000 0.084 0.000 1.386 233 I HN 0.147 nan 8.210 nan 0.000 0.476 234 V N 5.611 125.565 119.914 0.067 0.000 2.378 234 V HA 0.711 4.831 4.120 -0.000 0.000 0.288 234 V C 0.184 176.298 176.094 0.033 0.000 1.016 234 V CA -0.601 61.720 62.300 0.034 0.000 0.840 234 V CB 1.595 33.429 31.823 0.018 0.000 0.994 234 V HN 0.884 nan 8.190 nan 0.000 0.431 235 A N 4.134 126.973 122.820 0.032 0.000 2.335 235 A HA 0.885 5.205 4.320 -0.000 0.000 0.304 235 A C -0.049 177.553 177.584 0.030 0.000 1.118 235 A CA -0.292 51.768 52.037 0.039 0.000 0.757 235 A CB 1.416 20.447 19.000 0.052 0.000 1.188 235 A HN 1.313 nan 8.150 nan 0.000 0.460 236 A N 3.165 126.005 122.820 0.033 0.000 2.842 236 A HA 0.613 4.933 4.320 -0.000 0.000 0.339 236 A C 0.524 178.139 177.584 0.052 0.000 1.177 236 A CA 0.016 52.079 52.037 0.043 0.000 0.797 236 A CB -0.493 18.535 19.000 0.047 0.000 1.094 236 A HN 1.186 nan 8.150 nan 0.000 0.474 237 T N -1.179 113.405 114.554 0.051 0.000 2.726 237 T HA 0.469 4.819 4.350 -0.000 0.000 0.294 237 T C 1.642 176.374 174.700 0.055 0.000 1.013 237 T CA 0.042 62.173 62.100 0.052 0.000 0.996 237 T CB 0.880 69.776 68.868 0.047 0.000 1.016 237 T HN 1.076 nan 8.240 nan 0.000 0.529 238 A N 0.894 123.745 122.820 0.051 0.000 1.997 238 A HA -0.125 4.195 4.320 -0.000 0.000 0.221 238 A C 2.498 180.111 177.584 0.049 0.000 1.172 238 A CA 2.236 54.303 52.037 0.051 0.000 0.645 238 A CB -1.393 17.633 19.000 0.045 0.000 0.813 238 A HN 1.076 nan 8.150 nan 0.000 0.454 239 S N -0.834 114.893 115.700 0.045 0.000 2.503 239 S HA 0.116 4.585 4.470 -0.000 0.000 0.217 239 S C 0.564 175.193 174.600 0.047 0.000 0.999 239 S CA -0.088 58.136 58.200 0.041 0.000 0.914 239 S CB -0.114 63.107 63.200 0.034 0.000 0.782 239 S HN 0.633 nan 8.310 nan 0.000 0.520 240 E N 1.591 121.824 120.200 0.056 0.000 2.408 240 E HA 0.495 4.845 4.350 -0.000 0.000 0.259 240 E C 0.176 176.826 176.600 0.083 0.000 1.110 240 E CA -0.160 56.281 56.400 0.068 0.000 0.929 240 E CB 0.512 30.254 29.700 0.071 0.000 0.971 240 E HN 0.497 nan 8.360 nan 0.000 0.438 241 A N 1.624 124.504 122.820 0.099 0.000 2.483 241 A HA 0.247 4.567 4.320 -0.000 0.000 0.238 241 A C 1.236 178.905 177.584 0.141 0.000 1.070 241 A CA 0.549 52.650 52.037 0.107 0.000 0.770 241 A CB 0.376 19.444 19.000 0.113 0.000 1.008 241 A HN 0.791 nan 8.150 nan 0.000 0.497 242 A N 3.057 125.950 122.820 0.122 0.000 1.884 242 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 242 A C -0.140 177.594 177.584 0.251 0.000 1.197 242 A CA 2.226 54.355 52.037 0.152 0.000 0.637 242 A CB -1.822 17.239 19.000 0.102 0.000 0.827 242 A HN 0.641 nan 8.150 nan 0.000 0.450 243 P HA -0.125 nan 4.420 nan 0.000 0.218 243 P C 1.333 178.973 177.300 0.567 0.000 1.148 243 P CA 0.866 64.259 63.100 0.487 0.000 0.822 243 P CB -0.129 31.770 31.700 0.332 0.000 0.784 244 L N -1.157 120.315 121.223 0.415 0.000 2.109 244 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 244 L C 2.632 179.597 176.870 0.157 0.000 1.086 244 L CA 1.436 56.413 54.840 0.230 0.000 0.760 244 L CB -0.833 41.320 42.059 0.156 0.000 0.910 244 L HN 0.009 nan 8.230 nan 0.000 0.437 245 Q N -0.900 119.014 119.800 0.190 0.000 2.016 245 Q HA -0.262 4.078 4.340 -0.000 0.000 0.200 245 Q C 2.171 178.284 176.000 0.188 0.000 0.978 245 Q CA 2.043 57.940 55.803 0.157 0.000 0.833 245 Q CB -0.459 28.373 28.738 0.157 0.000 0.895 245 Q HN 0.495 nan 8.270 nan 0.000 0.427 246 Y N 1.377 121.786 120.300 0.182 0.000 2.151 246 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 246 Y C 1.902 177.968 175.900 0.275 0.000 1.166 246 Y CA 1.448 59.687 58.100 0.231 0.000 1.163 246 Y CB -0.406 38.245 38.460 0.318 0.000 0.974 246 Y HN 0.108 nan 8.280 nan 0.000 0.511 247 L N 0.711 121.842 121.223 -0.153 0.000 2.240 247 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 247 L C 2.498 179.345 176.870 -0.039 0.000 1.106 247 L CA 1.647 56.368 54.840 -0.198 0.000 0.793 247 L CB -1.212 40.787 42.059 -0.100 0.000 0.927 247 L HN 0.328 nan 8.230 nan 0.000 0.446 248 A N 0.451 123.246 122.820 -0.041 0.000 1.908 248 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 248 A C -0.019 177.532 177.584 -0.055 0.000 1.181 248 A CA 1.944 53.959 52.037 -0.036 0.000 0.627 248 A CB -1.994 16.997 19.000 -0.015 0.000 0.818 248 A HN 0.412 nan 8.150 nan 0.000 0.445 249 P HA -0.125 nan 4.420 nan 0.000 0.216 249 P C 0.949 178.100 177.300 -0.249 0.000 1.150 249 P CA 1.052 64.008 63.100 -0.241 0.000 0.837 249 P CB -0.174 31.097 31.700 -0.716 0.000 0.786 250 F N -0.172 119.699 119.950 -0.131 0.000 2.163 250 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 250 F C 2.438 178.206 175.800 -0.052 0.000 1.094 250 F CA 1.861 59.791 58.000 -0.118 0.000 1.290 250 F CB -2.072 36.806 39.000 -0.202 0.000 1.017 250 F HN -0.041 nan 8.300 nan 0.000 0.483 251 T N -2.071 112.554 114.554 0.119 0.000 2.951 251 T HA 0.021 4.371 4.350 -0.000 0.000 0.268 251 T C 2.057 176.794 174.700 0.061 0.000 1.073 251 T CA 0.808 62.943 62.100 0.058 0.000 1.134 251 T CB -0.640 68.228 68.868 -0.000 0.000 0.884 251 T HN 0.192 nan 8.240 nan 0.000 0.479 252 A N 1.555 124.417 122.820 0.069 0.000 1.968 252 A HA 0.495 4.815 4.320 -0.000 0.000 0.217 252 A C 2.761 180.413 177.584 0.113 0.000 1.169 252 A CA 1.342 53.426 52.037 0.079 0.000 0.638 252 A CB -1.208 17.834 19.000 0.070 0.000 0.812 252 A HN 0.678 nan 8.150 nan 0.000 0.446 253 A N -0.146 122.764 122.820 0.150 0.000 1.877 253 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 253 A C 2.422 180.090 177.584 0.139 0.000 1.186 253 A CA 2.067 54.203 52.037 0.165 0.000 0.620 253 A CB -0.902 18.205 19.000 0.178 0.000 0.822 253 A HN 0.454 nan 8.150 nan 0.000 0.443 254 S N 0.042 115.814 115.700 0.120 0.000 2.383 254 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 254 S C 1.770 176.441 174.600 0.119 0.000 1.030 254 S CA 1.513 59.776 58.200 0.105 0.000 1.002 254 S CB -0.537 62.709 63.200 0.076 0.000 0.829 254 S HN 0.550 nan 8.310 nan 0.000 0.467 255 I N 1.504 122.141 120.570 0.111 0.000 2.226 255 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 255 I C 2.699 178.966 176.117 0.251 0.000 1.100 255 I CA 1.210 62.584 61.300 0.124 0.000 1.374 255 I CB -0.899 37.160 38.000 0.097 0.000 1.057 255 I HN 0.376 nan 8.210 nan 0.000 0.413 256 G N 0.306 109.254 108.800 0.246 0.000 2.402 256 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 256 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 256 G C 1.500 176.599 174.900 0.331 0.000 1.162 256 G CA 0.371 45.661 45.100 0.316 0.000 0.777 256 G HN 0.386 nan 8.290 nan 0.000 0.539 257 E N -0.623 119.702 120.200 0.210 0.000 2.160 257 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 257 E C 1.936 178.607 176.600 0.119 0.000 0.991 257 E CA 0.752 57.238 56.400 0.143 0.000 0.810 257 E CB -0.224 29.535 29.700 0.099 0.000 0.742 257 E HN 0.661 nan 8.360 nan 0.000 0.466 258 W N 0.659 121.919 121.300 -0.066 0.000 2.318 258 W HA -0.272 4.388 4.660 -0.000 0.000 0.313 258 W C 1.591 177.950 176.519 -0.267 0.000 1.221 258 W CA 1.786 58.993 57.345 -0.229 0.000 1.266 258 W CB -0.387 28.827 29.460 -0.409 0.000 1.150 258 W HN 0.003 nan 8.180 nan 0.000 0.496 259 F N 0.086 120.148 119.950 0.186 0.000 2.113 259 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 259 F C 2.736 178.433 175.800 -0.171 0.000 1.103 259 F CA 2.101 60.097 58.000 -0.006 0.000 1.248 259 F CB -1.340 37.738 39.000 0.130 0.000 0.999 259 F HN -0.194 nan 8.300 nan 0.000 0.475 260 R N 0.736 121.290 120.500 0.090 0.000 2.103 260 R HA -0.191 4.148 4.340 -0.000 0.000 0.242 260 R C 1.573 177.793 176.300 -0.134 0.000 1.142 260 R CA 2.212 58.296 56.100 -0.026 0.000 0.960 260 R CB -0.491 29.824 30.300 0.025 0.000 0.858 260 R HN 0.206 nan 8.270 nan 0.000 0.439 261 D N -0.027 120.258 120.400 -0.192 0.000 2.224 261 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 261 D C 0.541 176.640 176.300 -0.334 0.000 0.965 261 D CA 0.877 54.734 54.000 -0.239 0.000 0.852 261 D CB -0.184 40.470 40.800 -0.244 0.000 0.947 261 D HN 0.311 nan 8.370 nan 0.000 0.494 262 N N 0.180 118.578 118.700 -0.504 0.000 2.376 262 N HA 0.171 4.911 4.740 -0.000 0.000 0.249 262 N C 0.677 175.984 175.510 -0.338 0.000 1.140 262 N CA 0.136 52.859 53.050 -0.546 0.000 0.870 262 N CB 1.223 39.078 38.487 -1.053 0.000 1.124 262 N HN 0.084 nan 8.380 nan 0.000 0.505 263 G N 1.281 109.931 108.800 -0.250 0.000 2.198 263 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 263 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 263 G C 0.091 174.871 174.900 -0.201 0.000 1.025 263 G CA 0.617 45.602 45.100 -0.192 0.000 0.769 263 G HN 0.349 nan 8.290 nan 0.000 0.507 264 K N -0.804 119.470 120.400 -0.210 0.000 2.331 264 K HA 0.719 5.039 4.320 -0.000 0.000 0.238 264 K C -0.357 176.066 176.600 -0.295 0.000 1.058 264 K CA -1.037 55.194 56.287 -0.094 0.000 0.871 264 K CB 1.237 33.885 32.500 0.246 0.000 1.292 264 K HN 0.311 nan 8.250 nan 0.000 0.470 265 H N -0.432 118.750 119.070 0.186 0.000 2.589 265 H HA 0.564 5.120 4.556 -0.000 0.000 0.351 265 H C -1.122 174.264 175.328 0.097 0.000 1.074 265 H CA -0.837 55.269 56.048 0.096 0.000 1.203 265 H CB 2.011 31.769 29.762 -0.006 0.000 1.558 265 H HN 0.671 nan 8.280 nan 0.000 0.522 266 A N 2.845 125.760 122.820 0.158 0.000 2.413 266 A HA 0.573 4.893 4.320 -0.000 0.000 0.307 266 A C -1.373 176.235 177.584 0.039 0.000 1.087 266 A CA -0.690 51.379 52.037 0.053 0.000 0.750 266 A CB 1.967 21.012 19.000 0.074 0.000 1.296 266 A HN 0.471 nan 8.150 nan 0.000 0.423 267 L N 1.734 122.958 121.223 0.002 0.000 2.362 267 L HA 0.803 5.143 4.340 -0.000 0.000 0.275 267 L C -1.083 175.755 176.870 -0.053 0.000 0.998 267 L CA -0.438 54.391 54.840 -0.019 0.000 0.820 267 L CB 1.366 43.419 42.059 -0.010 0.000 1.270 267 L HN 0.686 nan 8.230 nan 0.000 0.415 268 I N 5.190 125.680 120.570 -0.134 0.000 2.465 268 I HA 0.597 4.767 4.170 -0.000 0.000 0.291 268 I C -1.304 174.550 176.117 -0.439 0.000 1.014 268 I CA -0.650 60.474 61.300 -0.294 0.000 1.093 268 I CB 1.830 39.596 38.000 -0.390 0.000 1.267 268 I HN 0.396 nan 8.210 nan 0.000 0.431 269 V N 7.920 127.592 119.914 -0.404 0.000 2.357 269 V HA 0.305 4.425 4.120 -0.000 0.000 0.284 269 V C -1.061 174.728 176.094 -0.507 0.000 1.018 269 V CA -0.498 61.590 62.300 -0.352 0.000 0.841 269 V CB 0.999 32.770 31.823 -0.086 0.000 0.991 269 V HN 0.483 nan 8.190 nan 0.000 0.437 270 Y N 2.389 122.572 120.300 -0.195 0.000 2.594 270 Y HA 0.443 4.993 4.550 -0.000 0.000 0.342 270 Y C 0.331 176.095 175.900 -0.227 0.000 1.010 270 Y CA -1.052 56.909 58.100 -0.232 0.000 1.270 270 Y CB 0.576 38.913 38.460 -0.206 0.000 1.125 270 Y HN 0.552 nan 8.280 nan 0.000 0.513 271 D N 3.372 123.662 120.400 -0.183 0.000 2.462 271 D HA 0.206 4.845 4.640 -0.000 0.000 0.249 271 D C -1.144 175.104 176.300 -0.086 0.000 1.117 271 D CA -0.367 53.540 54.000 -0.154 0.000 0.900 271 D CB 0.217 40.858 40.800 -0.267 0.000 1.039 271 D HN 0.668 nan 8.370 nan 0.000 0.516 272 D N 0.128 120.510 120.400 -0.029 0.000 2.552 272 D HA 0.246 4.886 4.640 -0.000 0.000 0.239 272 D C 0.928 177.213 176.300 -0.024 0.000 1.139 272 D CA -0.743 53.243 54.000 -0.024 0.000 0.914 272 D CB 1.163 41.957 40.800 -0.011 0.000 1.461 272 D HN 0.044 nan 8.370 nan 0.000 0.462 273 L N 0.169 121.347 121.223 -0.075 0.000 2.313 273 L HA -0.040 4.300 4.340 -0.000 0.000 0.214 273 L C 1.938 178.813 176.870 0.007 0.000 1.119 273 L CA 0.549 55.314 54.840 -0.126 0.000 0.809 273 L CB -0.399 41.357 42.059 -0.505 0.000 0.933 273 L HN 0.456 nan 8.230 nan 0.000 0.449 274 S N 0.351 116.054 115.700 0.004 0.000 2.365 274 S HA -0.223 4.247 4.470 -0.000 0.000 0.225 274 S C 1.962 176.639 174.600 0.128 0.000 1.039 274 S CA 1.568 59.812 58.200 0.074 0.000 1.033 274 S CB -0.089 63.145 63.200 0.056 0.000 0.887 274 S HN 0.385 nan 8.310 nan 0.000 0.447 275 K N 0.713 121.172 120.400 0.098 0.000 2.228 275 K HA 0.008 4.328 4.320 -0.000 0.000 0.202 275 K C 2.438 179.122 176.600 0.140 0.000 1.051 275 K CA 0.524 56.878 56.287 0.111 0.000 0.960 275 K CB -0.094 32.453 32.500 0.079 0.000 0.743 275 K HN 0.338 nan 8.250 nan 0.000 0.458 276 Q N 0.687 120.568 119.800 0.136 0.000 2.020 276 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 276 Q C 2.084 178.227 176.000 0.239 0.000 0.982 276 Q CA 1.723 57.627 55.803 0.170 0.000 0.838 276 Q CB -0.119 28.690 28.738 0.118 0.000 0.899 276 Q HN 0.330 nan 8.270 nan 0.000 0.423 277 A N -0.017 122.957 122.820 0.256 0.000 1.940 277 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 277 A C 2.233 180.076 177.584 0.431 0.000 1.176 277 A CA 1.569 53.781 52.037 0.291 0.000 0.631 277 A CB -0.770 18.365 19.000 0.225 0.000 0.814 277 A HN 0.315 nan 8.150 nan 0.000 0.446 278 V N -0.254 119.865 119.914 0.343 0.000 2.295 278 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 278 V C 3.085 179.291 176.094 0.186 0.000 1.049 278 V CA 2.005 64.456 62.300 0.251 0.000 1.024 278 V CB -1.195 30.734 31.823 0.176 0.000 0.648 278 V HN 0.637 nan 8.190 nan 0.000 0.447 279 A N -1.066 121.872 122.820 0.197 0.000 1.917 279 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 279 A C 2.167 179.872 177.584 0.202 0.000 1.182 279 A CA 2.387 54.538 52.037 0.189 0.000 0.633 279 A CB -0.843 18.291 19.000 0.224 0.000 0.819 279 A HN 0.654 nan 8.150 nan 0.000 0.448 280 Y N 0.174 120.547 120.300 0.121 0.000 2.242 280 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 280 Y C 2.489 178.399 175.900 0.018 0.000 1.137 280 Y CA 1.895 60.011 58.100 0.026 0.000 1.181 280 Y CB -0.331 38.155 38.460 0.044 0.000 0.989 280 Y HN 0.334 nan 8.280 nan 0.000 0.527 281 R N 0.204 120.768 120.500 0.105 0.000 2.120 281 R HA -0.220 4.120 4.340 -0.000 0.000 0.234 281 R C 2.376 178.610 176.300 -0.110 0.000 1.123 281 R CA 1.677 57.763 56.100 -0.024 0.000 0.975 281 R CB -0.277 29.991 30.300 -0.052 0.000 0.866 281 R HN 0.541 nan 8.270 nan 0.000 0.446 282 Q N 0.494 120.256 119.800 -0.063 0.000 2.050 282 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 282 Q C 2.148 178.081 176.000 -0.112 0.000 0.980 282 Q CA 1.599 57.362 55.803 -0.066 0.000 0.840 282 Q CB -0.066 28.663 28.738 -0.015 0.000 0.898 282 Q HN 0.419 nan 8.270 nan 0.000 0.424 283 L N 0.121 121.248 121.223 -0.160 0.000 2.012 283 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 283 L C 2.572 179.290 176.870 -0.253 0.000 1.073 283 L CA 1.411 56.123 54.840 -0.213 0.000 0.748 283 L CB -0.441 41.432 42.059 -0.309 0.000 0.891 283 L HN 0.212 nan 8.230 nan 0.000 0.431 284 S N -0.210 115.277 115.700 -0.355 0.000 2.402 284 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 284 S C 1.934 176.428 174.600 -0.176 0.000 1.021 284 S CA 1.044 59.052 58.200 -0.320 0.000 0.974 284 S CB -0.133 62.829 63.200 -0.396 0.000 0.800 284 S HN 0.271 nan 8.310 nan 0.000 0.484 285 L N 0.735 121.871 121.223 -0.145 0.000 2.162 285 L HA 0.100 4.440 4.340 -0.000 0.000 0.205 285 L C 2.044 178.863 176.870 -0.086 0.000 1.086 285 L CA 0.615 55.395 54.840 -0.099 0.000 0.778 285 L CB -0.390 41.615 42.059 -0.090 0.000 0.928 285 L HN 0.258 nan 8.230 nan 0.000 0.446 286 L N -0.399 120.768 121.223 -0.093 0.000 2.131 286 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 286 L C 2.068 178.893 176.870 -0.076 0.000 1.092 286 L CA 1.155 55.949 54.840 -0.077 0.000 0.759 286 L CB -0.320 41.694 42.059 -0.075 0.000 0.903 286 L HN 0.300 nan 8.230 nan 0.000 0.435 287 L N -0.610 120.556 121.223 -0.095 0.000 2.599 287 L HA 0.053 4.393 4.340 -0.000 0.000 0.230 287 L C 0.867 177.698 176.870 -0.064 0.000 1.141 287 L CA 0.176 54.967 54.840 -0.082 0.000 0.877 287 L CB -0.205 41.792 42.059 -0.103 0.000 1.009 287 L HN 0.229 nan 8.230 nan 0.000 0.447 288 R N -0.906 119.557 120.500 -0.063 0.000 3.875 288 R HA -0.149 4.191 4.340 -0.000 0.000 0.321 288 R C -0.286 175.989 176.300 -0.043 0.000 1.196 288 R CA 0.268 56.339 56.100 -0.048 0.000 0.868 288 R CB -1.724 28.554 30.300 -0.035 0.000 1.333 288 R HN 0.258 nan 8.270 nan 0.000 0.522 289 R N 1.279 121.746 120.500 -0.055 0.000 2.522 289 R HA 0.101 4.441 4.340 -0.000 0.000 0.284 289 R C -2.095 174.190 176.300 -0.026 0.000 1.032 289 R CA -1.589 54.488 56.100 -0.038 0.000 1.049 289 R CB -0.200 30.068 30.300 -0.053 0.000 0.956 289 R HN -0.038 nan 8.270 nan 0.000 0.422 290 P HA 0.037 nan 4.420 nan 0.000 0.263 290 P C -2.145 175.157 177.300 0.004 0.000 1.195 290 P CA -0.697 62.400 63.100 -0.004 0.000 0.762 290 P CB 0.048 31.750 31.700 0.004 0.000 0.799 291 P HA 0.113 nan 4.420 nan 0.000 0.276 291 P C 0.314 177.618 177.300 0.007 0.000 1.235 291 P CA 0.199 63.298 63.100 -0.002 0.000 0.772 291 P CB 1.212 32.894 31.700 -0.029 0.000 0.871 292 G N 3.638 112.458 108.800 0.034 0.000 3.365 292 G HA2 0.233 4.193 3.960 -0.000 0.000 0.185 292 G HA3 0.233 4.193 3.960 -0.000 0.000 0.185 292 G C -0.231 174.642 174.900 -0.045 0.000 1.565 292 G CA -0.680 44.421 45.100 0.001 0.000 0.984 292 G HN 0.414 nan 8.290 nan 0.000 0.604 293 R N 0.813 121.216 120.500 -0.161 0.000 2.449 293 R HA 0.218 4.558 4.340 -0.000 0.000 0.296 293 R C -0.014 176.294 176.300 0.014 0.000 1.047 293 R CA 0.504 56.469 56.100 -0.225 0.000 1.018 293 R CB -0.005 29.866 30.300 -0.716 0.000 0.962 293 R HN 0.662 nan 8.270 nan 0.000 0.428 294 E N 2.504 122.724 120.200 0.033 0.000 2.539 294 E HA -0.338 4.012 4.350 -0.000 0.000 0.253 294 E C 0.226 176.787 176.600 -0.065 0.000 1.145 294 E CA 0.438 56.880 56.400 0.070 0.000 0.738 294 E CB -1.090 28.760 29.700 0.251 0.000 1.308 294 E HN 0.883 nan 8.360 nan 0.000 0.409 295 A N -2.329 120.456 122.820 -0.058 0.000 2.945 295 A HA -0.313 4.007 4.320 -0.000 0.000 0.263 295 A C 0.103 177.611 177.584 -0.126 0.000 1.293 295 A CA 1.798 53.771 52.037 -0.106 0.000 0.944 295 A CB -2.074 16.837 19.000 -0.148 0.000 1.093 295 A HN 0.457 nan 8.150 nan 0.000 0.786 296 Y N 0.219 120.577 120.300 0.096 0.000 2.314 296 Y HA 0.455 5.005 4.550 -0.000 0.000 0.334 296 Y C -1.418 174.565 175.900 0.139 0.000 1.266 296 Y CA -1.281 56.916 58.100 0.162 0.000 1.391 296 Y CB 0.294 38.947 38.460 0.322 0.000 1.306 296 Y HN 0.222 nan 8.280 nan 0.000 0.558 297 P HA 0.059 nan 4.420 nan 0.000 0.277 297 P C 0.632 178.102 177.300 0.283 0.000 1.240 297 P CA -0.063 63.167 63.100 0.217 0.000 0.798 297 P CB 0.994 32.794 31.700 0.166 0.000 0.979 298 G N 2.260 111.184 108.800 0.207 0.000 2.517 298 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.222 298 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.222 298 G C 0.688 175.743 174.900 0.257 0.000 1.109 298 G CA 0.960 46.186 45.100 0.209 0.000 0.746 298 G HN 0.664 nan 8.290 nan 0.000 0.576 299 D N 0.021 120.591 120.400 0.283 0.000 2.491 299 D HA 0.132 4.772 4.640 -0.000 0.000 0.228 299 D C 1.658 178.123 176.300 0.275 0.000 1.183 299 D CA -0.357 53.828 54.000 0.309 0.000 0.827 299 D CB 0.210 41.201 40.800 0.319 0.000 0.989 299 D HN 0.133 nan 8.370 nan 0.000 0.494 300 V N -0.205 119.863 119.914 0.258 0.000 2.591 300 V HA -0.074 4.046 4.120 -0.000 0.000 0.249 300 V C 1.799 177.846 176.094 -0.078 0.000 1.053 300 V CA 0.998 63.345 62.300 0.079 0.000 1.068 300 V CB -0.725 31.175 31.823 0.128 0.000 0.689 300 V HN 0.227 nan 8.190 nan 0.000 0.462 301 F N 0.387 120.290 119.950 -0.079 0.000 2.069 301 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 301 F C 2.194 178.010 175.800 0.028 0.000 1.113 301 F CA 2.530 60.498 58.000 -0.054 0.000 1.214 301 F CB -0.772 38.220 39.000 -0.013 0.000 0.978 301 F HN 0.358 nan 8.300 nan 0.000 0.474 302 Y N 0.772 121.022 120.300 -0.082 0.000 2.256 302 Y HA -0.211 4.339 4.550 -0.000 0.000 0.288 302 Y C 2.153 177.913 175.900 -0.233 0.000 1.155 302 Y CA 1.608 59.604 58.100 -0.174 0.000 1.203 302 Y CB -0.955 37.519 38.460 0.022 0.000 0.980 302 Y HN 0.270 nan 8.280 nan 0.000 0.530 303 L N -0.138 120.870 121.223 -0.359 0.000 2.013 303 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 303 L C 2.160 178.801 176.870 -0.381 0.000 1.073 303 L CA 2.509 57.067 54.840 -0.470 0.000 0.753 303 L CB -0.876 40.776 42.059 -0.679 0.000 0.890 303 L HN 0.365 nan 8.230 nan 0.000 0.432 304 H N -1.714 117.152 119.070 -0.341 0.000 2.415 304 H HA -0.023 4.533 4.556 -0.000 0.000 0.297 304 H C 2.395 177.483 175.328 -0.401 0.000 1.048 304 H CA 0.936 56.757 56.048 -0.378 0.000 1.365 304 H CB 0.015 29.573 29.762 -0.340 0.000 1.421 304 H HN 0.551 nan 8.280 nan 0.000 0.533 305 S N 1.598 117.037 115.700 -0.435 0.000 2.356 305 S HA -0.240 4.229 4.470 -0.000 0.000 0.223 305 S C 2.127 176.612 174.600 -0.192 0.000 1.032 305 S CA 1.249 59.204 58.200 -0.409 0.000 1.005 305 S CB -0.280 62.489 63.200 -0.719 0.000 0.867 305 S HN 0.551 nan 8.310 nan 0.000 0.449 306 R N 0.897 121.263 120.500 -0.223 0.000 2.120 306 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 306 R C 2.344 178.619 176.300 -0.042 0.000 1.123 306 R CA 1.367 57.382 56.100 -0.141 0.000 0.975 306 R CB -0.742 29.332 30.300 -0.377 0.000 0.866 306 R HN 0.471 nan 8.270 nan 0.000 0.446 307 L N 1.073 122.270 121.223 -0.044 0.000 2.005 307 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 307 L C 2.143 178.952 176.870 -0.102 0.000 1.072 307 L CA 1.565 56.349 54.840 -0.093 0.000 0.744 307 L CB -0.247 41.522 42.059 -0.483 0.000 0.895 307 L HN 0.225 nan 8.230 nan 0.000 0.433 308 L N -0.588 120.563 121.223 -0.119 0.000 2.217 308 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 308 L C 2.498 179.373 176.870 0.007 0.000 1.107 308 L CA 0.572 55.388 54.840 -0.041 0.000 0.783 308 L CB -0.644 41.378 42.059 -0.062 0.000 0.919 308 L HN 0.305 nan 8.230 nan 0.000 0.442 309 E N 0.563 120.761 120.200 -0.003 0.000 2.267 309 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 309 E C 2.151 178.775 176.600 0.039 0.000 0.998 309 E CA 0.968 57.382 56.400 0.024 0.000 0.830 309 E CB -0.053 29.665 29.700 0.029 0.000 0.751 309 E HN 0.510 nan 8.360 nan 0.000 0.491 310 R N 0.449 120.977 120.500 0.046 0.000 2.237 310 R HA 0.031 4.371 4.340 -0.000 0.000 0.219 310 R C 0.943 177.282 176.300 0.065 0.000 1.080 310 R CA 0.515 56.651 56.100 0.060 0.000 0.995 310 R CB -0.001 30.346 30.300 0.077 0.000 0.875 310 R HN -0.069 nan 8.270 nan 0.000 0.462 311 A N 1.258 124.119 122.820 0.068 0.000 2.396 311 A HA 0.609 4.929 4.320 -0.000 0.000 0.279 311 A C -0.229 177.384 177.584 0.049 0.000 1.165 311 A CA -0.032 52.043 52.037 0.064 0.000 0.824 311 A CB 0.339 19.380 19.000 0.069 0.000 1.100 311 A HN 0.295 nan 8.150 nan 0.000 0.516 312 A N 2.529 125.376 122.820 0.045 0.000 2.610 312 A HA 0.741 5.061 4.320 -0.000 0.000 0.291 312 A C -0.832 176.776 177.584 0.039 0.000 1.086 312 A CA -0.783 51.278 52.037 0.039 0.000 0.677 312 A CB 1.097 20.118 19.000 0.035 0.000 1.278 312 A HN 0.801 nan 8.150 nan 0.000 0.414 313 K N 1.351 121.774 120.400 0.039 0.000 2.316 313 K HA 0.658 4.978 4.320 -0.000 0.000 0.267 313 K C -1.121 175.503 176.600 0.040 0.000 1.025 313 K CA -0.236 56.078 56.287 0.044 0.000 0.896 313 K CB 0.205 32.734 32.500 0.047 0.000 1.124 313 K HN 0.587 nan 8.250 nan 0.000 0.451 314 L N 2.937 124.176 121.223 0.026 0.000 2.453 314 L HA 0.295 4.635 4.340 -0.000 0.000 0.261 314 L C 0.817 177.704 176.870 0.028 0.000 1.179 314 L CA -0.607 54.242 54.840 0.015 0.000 0.813 314 L CB 1.166 43.217 42.059 -0.013 0.000 1.110 314 L HN 0.889 nan 8.230 nan 0.000 0.466 315 S N 0.262 115.975 115.700 0.021 0.000 2.617 315 S HA 0.019 4.489 4.470 -0.000 0.000 0.255 315 S C 0.841 175.453 174.600 0.019 0.000 1.318 315 S CA -0.332 57.882 58.200 0.025 0.000 0.978 315 S CB 0.699 63.907 63.200 0.014 0.000 0.961 315 S HN 0.693 nan 8.310 nan 0.000 0.582 316 E N 0.292 120.504 120.200 0.020 0.000 2.106 316 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 316 E C 2.022 178.621 176.600 -0.001 0.000 0.984 316 E CA 0.941 57.349 56.400 0.013 0.000 0.806 316 E CB -0.152 29.555 29.700 0.012 0.000 0.750 316 E HN 0.685 nan 8.360 nan 0.000 0.458 317 K N 0.704 121.102 120.400 -0.003 0.000 2.147 317 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 317 K C 1.236 177.825 176.600 -0.018 0.000 1.049 317 K CA 0.997 57.278 56.287 -0.009 0.000 0.936 317 K CB 0.257 32.753 32.500 -0.007 0.000 0.722 317 K HN -0.038 nan 8.250 nan 0.000 0.446 318 E N -0.862 119.327 120.200 -0.019 0.000 2.437 318 E HA 0.059 4.409 4.350 -0.000 0.000 0.189 318 E C 0.820 177.389 176.600 -0.051 0.000 1.054 318 E CA 0.610 56.990 56.400 -0.033 0.000 0.874 318 E CB 0.964 30.648 29.700 -0.027 0.000 1.011 318 E HN 0.563 nan 8.360 nan 0.000 0.474 319 G N 0.765 109.539 108.800 -0.044 0.000 2.194 319 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.236 319 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.236 319 G C 0.694 175.560 174.900 -0.057 0.000 0.987 319 G CA 0.319 45.383 45.100 -0.060 0.000 0.635 319 G HN 0.147 nan 8.290 nan 0.000 0.520 320 S N -1.447 114.233 115.700 -0.034 0.000 2.929 320 S HA -0.174 4.296 4.470 -0.000 0.000 0.271 320 S C 1.828 176.383 174.600 -0.076 0.000 1.295 320 S CA 1.618 59.814 58.200 -0.006 0.000 1.277 320 S CB -1.489 61.736 63.200 0.042 0.000 1.557 320 S HN 2.278 nan 8.310 nan 0.000 0.666 321 G N 1.336 110.037 108.800 -0.164 0.000 2.690 321 G HA2 0.441 4.401 3.960 -0.000 0.000 0.239 321 G HA3 0.441 4.401 3.960 -0.000 0.000 0.239 321 G C -0.009 174.794 174.900 -0.163 0.000 1.233 321 G CA 0.559 45.480 45.100 -0.297 0.000 0.847 321 G HN 1.343 nan 8.290 nan 0.000 0.588 322 S N -0.931 114.685 115.700 -0.139 0.000 2.556 322 S HA 0.622 5.092 4.470 -0.000 0.000 0.271 322 S C -1.337 173.309 174.600 0.077 0.000 1.135 322 S CA -0.894 57.338 58.200 0.053 0.000 0.858 322 S CB 2.023 65.333 63.200 0.184 0.000 1.114 322 S HN 1.101 nan 8.310 nan 0.000 0.468 323 L N 1.747 123.013 121.223 0.070 0.000 2.372 323 L HA 0.721 5.061 4.340 -0.000 0.000 0.274 323 L C -0.802 176.097 176.870 0.049 0.000 0.988 323 L CA 0.210 55.094 54.840 0.072 0.000 0.833 323 L CB 1.903 44.010 42.059 0.080 0.000 1.236 323 L HN 0.924 nan 8.230 nan 0.000 0.410 324 T N 4.140 118.712 114.554 0.030 0.000 2.824 324 T HA 0.838 5.188 4.350 -0.000 0.000 0.280 324 T C -0.363 174.325 174.700 -0.019 0.000 0.995 324 T CA -0.307 61.797 62.100 0.007 0.000 1.009 324 T CB 1.506 70.369 68.868 -0.008 0.000 0.955 324 T HN 0.784 nan 8.240 nan 0.000 0.452 325 A N 3.153 125.967 122.820 -0.011 0.000 2.330 325 A HA 0.733 5.053 4.320 -0.000 0.000 0.313 325 A C -0.492 177.077 177.584 -0.025 0.000 1.124 325 A CA -0.728 51.287 52.037 -0.037 0.000 0.774 325 A CB 0.572 19.614 19.000 0.071 0.000 1.198 325 A HN 0.869 nan 8.150 nan 0.000 0.465 326 L N 4.710 125.890 121.223 -0.072 0.000 2.506 326 L HA 0.313 4.653 4.340 -0.000 0.000 0.247 326 L C -2.245 174.614 176.870 -0.019 0.000 1.141 326 L CA -1.717 53.104 54.840 -0.032 0.000 0.973 326 L CB 1.178 43.220 42.059 -0.028 0.000 1.319 326 L HN 0.487 nan 8.230 nan 0.000 0.455 327 P HA 0.134 nan 4.420 nan 0.000 0.275 327 P C -0.443 176.861 177.300 0.006 0.000 1.228 327 P CA -0.105 63.044 63.100 0.083 0.000 0.786 327 P CB 1.954 33.685 31.700 0.053 0.000 0.927 328 V N 4.049 123.957 119.914 -0.010 0.000 2.581 328 V HA 0.450 4.570 4.120 -0.000 0.000 0.303 328 V C 0.369 176.437 176.094 -0.044 0.000 1.041 328 V CA -0.593 61.694 62.300 -0.022 0.000 0.907 328 V CB 1.727 33.542 31.823 -0.013 0.000 0.994 328 V HN 0.426 nan 8.190 nan 0.000 0.442 329 I N 3.030 123.582 120.570 -0.029 0.000 2.534 329 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 329 I C -0.191 175.929 176.117 0.005 0.000 1.077 329 I CA -0.353 60.932 61.300 -0.024 0.000 1.051 329 I CB 2.146 40.126 38.000 -0.032 0.000 1.234 329 I HN 0.773 nan 8.210 nan 0.000 0.425 330 E N 5.202 125.410 120.200 0.013 0.000 2.130 330 E HA 0.355 4.705 4.350 -0.000 0.000 0.284 330 E C -0.343 176.287 176.600 0.049 0.000 1.018 330 E CA -0.348 56.064 56.400 0.021 0.000 0.817 330 E CB 1.065 30.776 29.700 0.019 0.000 1.078 330 E HN 0.684 nan 8.360 nan 0.000 0.396 331 T N 2.172 116.765 114.554 0.065 0.000 2.788 331 T HA 0.265 4.614 4.350 -0.000 0.000 0.280 331 T C 0.027 174.771 174.700 0.074 0.000 0.984 331 T CA -0.908 61.248 62.100 0.094 0.000 0.972 331 T CB 1.204 70.169 68.868 0.161 0.000 1.039 331 T HN 0.368 nan 8.240 nan 0.000 0.530 332 Q N 0.323 120.171 119.800 0.080 0.000 2.339 332 Q HA 0.473 4.813 4.340 -0.000 0.000 0.268 332 Q C 0.763 176.803 176.000 0.066 0.000 1.027 332 Q CA -0.044 55.798 55.803 0.065 0.000 0.759 332 Q CB 1.292 30.070 28.738 0.067 0.000 1.244 332 Q HN 1.295 nan 8.270 nan 0.000 0.464 333 G N 1.602 110.436 108.800 0.057 0.000 2.160 333 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 333 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 333 G C 0.765 175.718 174.900 0.087 0.000 1.008 333 G CA 0.584 45.719 45.100 0.058 0.000 0.724 333 G HN 1.277 nan 8.290 nan 0.000 0.514 334 G N -0.776 108.100 108.800 0.127 0.000 2.168 334 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 334 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 334 G C 0.170 175.187 174.900 0.196 0.000 0.997 334 G CA 1.072 46.316 45.100 0.240 0.000 0.708 334 G HN 1.505 nan 8.290 nan 0.000 0.520 335 D N 0.323 120.796 120.400 0.122 0.000 2.374 335 D HA 0.407 5.047 4.640 -0.000 0.000 0.240 335 D C 1.755 178.091 176.300 0.060 0.000 1.229 335 D CA 0.282 54.324 54.000 0.070 0.000 0.895 335 D CB 0.859 41.697 40.800 0.063 0.000 1.046 335 D HN 0.551 nan 8.370 nan 0.000 0.498 336 V N 1.288 121.199 119.914 -0.005 0.000 3.306 336 V HA 0.007 4.127 4.120 -0.000 0.000 0.264 336 V C 1.640 177.731 176.094 -0.005 0.000 1.149 336 V CA 0.636 62.920 62.300 -0.026 0.000 1.143 336 V CB -0.216 31.509 31.823 -0.163 0.000 0.767 336 V HN 0.334 nan 8.190 nan 0.000 0.476 337 S N 1.055 116.758 115.700 0.004 0.000 2.555 337 S HA 0.400 4.869 4.470 -0.000 0.000 0.230 337 S C 1.223 175.860 174.600 0.061 0.000 0.978 337 S CA 0.595 58.808 58.200 0.023 0.000 0.934 337 S CB -0.427 62.783 63.200 0.018 0.000 0.766 337 S HN 0.918 nan 8.310 nan 0.000 0.533 338 A N 0.399 123.264 122.820 0.076 0.000 2.366 338 A HA 0.396 4.716 4.320 -0.000 0.000 0.249 338 A C 0.875 178.557 177.584 0.163 0.000 1.084 338 A CA -0.394 51.716 52.037 0.122 0.000 0.794 338 A CB -0.105 18.967 19.000 0.120 0.000 1.034 338 A HN 0.282 nan 8.150 nan 0.000 0.491 339 Y N 1.520 121.845 120.300 0.043 0.000 2.002 339 Y HA -0.295 4.255 4.550 -0.000 0.000 0.268 339 Y C 1.952 177.850 175.900 -0.003 0.000 1.177 339 Y CA 2.623 60.738 58.100 0.025 0.000 1.111 339 Y CB -0.216 38.270 38.460 0.044 0.000 0.952 339 Y HN 0.536 nan 8.280 nan 0.000 0.491 340 I N 0.089 120.603 120.570 -0.094 0.000 2.202 340 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 340 I C -0.383 175.674 176.117 -0.100 0.000 1.091 340 I CA 1.304 62.474 61.300 -0.217 0.000 1.368 340 I CB -2.864 35.026 38.000 -0.184 0.000 1.058 340 I HN 0.178 nan 8.210 nan 0.000 0.410 341 P HA -0.170 nan 4.420 nan 0.000 0.214 341 P C 1.879 179.176 177.300 -0.005 0.000 1.163 341 P CA 2.692 65.791 63.100 -0.002 0.000 0.889 341 P CB -0.365 31.357 31.700 0.037 0.000 0.790 342 T N -3.444 111.113 114.554 0.004 0.000 2.788 342 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 342 T C 1.719 176.426 174.700 0.012 0.000 1.044 342 T CA 1.429 63.536 62.100 0.011 0.000 1.139 342 T CB -1.224 67.662 68.868 0.031 0.000 0.867 342 T HN -0.037 nan 8.240 nan 0.000 0.454 343 N N 1.478 120.162 118.700 -0.027 0.000 2.043 343 N HA -0.069 4.671 4.740 -0.000 0.000 0.193 343 N C 1.974 177.560 175.510 0.127 0.000 1.037 343 N CA 1.435 54.531 53.050 0.077 0.000 0.851 343 N CB -0.887 37.599 38.487 -0.002 0.000 1.027 343 N HN 0.368 nan 8.380 nan 0.000 0.422 344 V N 1.351 121.272 119.914 0.011 0.000 2.548 344 V HA -0.084 4.036 4.120 -0.000 0.000 0.249 344 V C 2.195 178.292 176.094 0.005 0.000 1.055 344 V CA 0.880 63.157 62.300 -0.037 0.000 1.065 344 V CB -0.376 31.357 31.823 -0.149 0.000 0.681 344 V HN 0.234 nan 8.190 nan 0.000 0.462 345 I N 1.265 121.846 120.570 0.019 0.000 2.286 345 I HA -0.182 3.987 4.170 -0.000 0.000 0.248 345 I C 2.332 178.478 176.117 0.050 0.000 1.115 345 I CA 1.802 63.119 61.300 0.027 0.000 1.392 345 I CB -0.323 37.687 38.000 0.017 0.000 1.065 345 I HN 0.469 nan 8.210 nan 0.000 0.418 346 S N -0.250 115.499 115.700 0.082 0.000 2.701 346 S HA 0.174 4.644 4.470 -0.000 0.000 0.220 346 S C 1.347 176.054 174.600 0.179 0.000 0.954 346 S CA 0.147 58.416 58.200 0.115 0.000 0.936 346 S CB -0.322 62.939 63.200 0.102 0.000 0.777 346 S HN 0.431 nan 8.310 nan 0.000 0.518 347 I N 1.027 121.675 120.570 0.130 0.000 3.673 347 I HA 0.089 4.259 4.170 -0.000 0.000 0.281 347 I C 1.419 177.564 176.117 0.046 0.000 1.182 347 I CA 0.471 61.824 61.300 0.088 0.000 1.391 347 I CB -0.159 37.844 38.000 0.005 0.000 1.383 347 I HN 0.327 nan 8.210 nan 0.000 0.456 348 T N -1.366 113.206 114.554 0.028 0.000 2.698 348 T HA 0.093 4.443 4.350 -0.000 0.000 0.295 348 T C 0.185 174.904 174.700 0.032 0.000 1.007 348 T CA -0.305 61.809 62.100 0.024 0.000 0.980 348 T CB 0.580 69.457 68.868 0.015 0.000 1.036 348 T HN 0.026 nan 8.240 nan 0.000 0.526 349 D N 0.626 121.044 120.400 0.030 0.000 2.894 349 D HA 0.453 5.092 4.640 -0.000 0.000 0.248 349 D C 0.817 177.135 176.300 0.029 0.000 1.291 349 D CA 0.186 54.204 54.000 0.030 0.000 0.840 349 D CB -0.261 40.556 40.800 0.028 0.000 1.044 349 D HN 1.039 nan 8.370 nan 0.000 0.484 350 G N 0.897 109.715 108.800 0.031 0.000 2.362 350 G HA2 0.092 4.052 3.960 -0.000 0.000 0.656 350 G HA3 0.092 4.052 3.960 -0.000 0.000 0.656 350 G C -1.584 173.339 174.900 0.039 0.000 1.376 350 G CA -1.109 44.011 45.100 0.034 0.000 0.971 350 G HN 0.077 nan 8.290 nan 0.000 0.636 351 Q N -0.788 119.042 119.800 0.051 0.000 2.372 351 Q HA 0.763 5.103 4.340 -0.000 0.000 0.273 351 Q C -0.272 175.783 176.000 0.091 0.000 1.078 351 Q CA -0.661 55.184 55.803 0.071 0.000 0.806 351 Q CB 2.443 31.233 28.738 0.087 0.000 1.332 351 Q HN 0.665 nan 8.270 nan 0.000 0.435 352 I N 2.186 122.811 120.570 0.093 0.000 2.307 352 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 352 I C -0.942 175.264 176.117 0.147 0.000 1.021 352 I CA -0.656 60.706 61.300 0.103 0.000 1.224 352 I CB 0.468 38.504 38.000 0.060 0.000 1.376 352 I HN 0.519 nan 8.210 nan 0.000 0.470 353 F N 8.033 127.997 119.950 0.024 0.000 2.391 353 F HA 0.482 5.009 4.527 -0.000 0.000 0.359 353 F C -0.610 175.208 175.800 0.030 0.000 1.122 353 F CA -0.587 57.426 58.000 0.022 0.000 1.120 353 F CB 0.649 39.663 39.000 0.023 0.000 1.142 353 F HN 0.228 nan 8.300 nan 0.000 0.483 354 L N 6.198 127.052 121.223 -0.615 0.000 2.257 354 L HA 0.347 4.687 4.340 -0.000 0.000 0.290 354 L C -0.026 176.397 176.870 -0.745 0.000 1.044 354 L CA -0.379 54.166 54.840 -0.491 0.000 0.810 354 L CB 1.171 43.063 42.059 -0.279 0.000 1.193 354 L HN 0.594 nan 8.230 nan 0.000 0.425 355 E N 1.842 121.797 120.200 -0.409 0.000 2.197 355 E HA 0.325 4.675 4.350 -0.000 0.000 0.281 355 E C 0.501 177.073 176.600 -0.046 0.000 0.995 355 E CA -0.210 56.051 56.400 -0.231 0.000 0.808 355 E CB 1.895 31.612 29.700 0.028 0.000 1.093 355 E HN 0.733 nan 8.360 nan 0.000 0.394 356 A N 4.309 127.116 122.820 -0.022 0.000 1.933 356 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 356 A C 1.887 179.573 177.584 0.169 0.000 1.175 356 A CA 1.722 53.797 52.037 0.064 0.000 0.628 356 A CB -0.336 18.682 19.000 0.029 0.000 0.814 356 A HN 0.879 nan 8.150 nan 0.000 0.444 357 E N -0.176 120.098 120.200 0.124 0.000 2.077 357 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 357 E C 1.909 178.615 176.600 0.178 0.000 0.989 357 E CA 1.148 57.630 56.400 0.137 0.000 0.800 357 E CB -0.186 29.569 29.700 0.091 0.000 0.746 357 E HN 0.658 nan 8.360 nan 0.000 0.452 358 L N -0.231 121.084 121.223 0.154 0.000 2.056 358 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 358 L C 2.409 179.371 176.870 0.154 0.000 1.078 358 L CA 0.791 55.713 54.840 0.137 0.000 0.749 358 L CB -0.440 41.689 42.059 0.116 0.000 0.901 358 L HN 0.204 nan 8.230 nan 0.000 0.433 359 F N -0.200 119.777 119.950 0.044 0.000 2.171 359 F HA -0.306 4.221 4.527 -0.000 0.000 0.300 359 F C 2.561 178.400 175.800 0.065 0.000 1.090 359 F CA 1.498 59.518 58.000 0.035 0.000 1.293 359 F CB -0.295 38.715 39.000 0.016 0.000 1.013 359 F HN -0.010 nan 8.300 nan 0.000 0.486 360 Y N 1.119 121.499 120.300 0.134 0.000 2.200 360 Y HA -0.179 4.371 4.550 -0.000 0.000 0.290 360 Y C 2.272 178.150 175.900 -0.036 0.000 1.137 360 Y CA 1.918 60.047 58.100 0.048 0.000 1.163 360 Y CB -0.414 38.097 38.460 0.084 0.000 0.988 360 Y HN -0.056 nan 8.280 nan 0.000 0.518 361 K N -0.758 119.684 120.400 0.071 0.000 2.209 361 K HA -0.013 4.306 4.320 -0.000 0.000 0.204 361 K C 1.376 177.895 176.600 -0.134 0.000 1.048 361 K CA 1.126 57.402 56.287 -0.019 0.000 0.940 361 K CB -0.314 32.225 32.500 0.066 0.000 0.729 361 K HN 0.586 nan 8.250 nan 0.000 0.451 362 G N 0.853 109.543 108.800 -0.183 0.000 2.192 362 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.193 362 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.193 362 G C 0.085 174.894 174.900 -0.150 0.000 0.999 362 G CA -0.500 44.466 45.100 -0.223 0.000 0.659 362 G HN 0.156 nan 8.290 nan 0.000 0.503 363 I N 2.097 122.619 120.570 -0.080 0.000 2.372 363 I HA 0.336 4.506 4.170 -0.000 0.000 0.298 363 I C 0.682 176.786 176.117 -0.020 0.000 1.137 363 I CA 0.240 61.526 61.300 -0.022 0.000 1.314 363 I CB 0.122 38.142 38.000 0.034 0.000 1.444 363 I HN 0.050 nan 8.210 nan 0.000 0.541 364 R N 6.490 126.967 120.500 -0.037 0.000 2.532 364 R HA 0.450 4.790 4.340 -0.000 0.000 0.297 364 R C -2.698 173.611 176.300 0.014 0.000 0.984 364 R CA -1.920 54.178 56.100 -0.002 0.000 0.884 364 R CB 1.725 31.977 30.300 -0.080 0.000 1.182 364 R HN 0.183 nan 8.270 nan 0.000 0.442 365 P HA -0.020 nan 4.420 nan 0.000 0.267 365 P C -0.437 176.915 177.300 0.085 0.000 1.200 365 P CA 0.001 63.143 63.100 0.071 0.000 0.772 365 P CB 0.714 32.444 31.700 0.051 0.000 0.855 366 A N 3.763 126.657 122.820 0.123 0.000 3.197 366 A HA 0.219 4.539 4.320 -0.000 0.000 0.263 366 A C 0.346 177.964 177.584 0.055 0.000 1.524 366 A CA -0.304 51.803 52.037 0.116 0.000 1.176 366 A CB -1.373 17.750 19.000 0.205 0.000 1.096 366 A HN 0.476 nan 8.150 nan 0.000 0.655 367 I N 1.434 122.043 120.570 0.064 0.000 2.452 367 I HA 0.011 4.181 4.170 -0.000 0.000 0.287 367 I C 0.578 176.759 176.117 0.106 0.000 1.079 367 I CA -0.226 61.116 61.300 0.071 0.000 1.387 367 I CB 0.501 38.545 38.000 0.074 0.000 1.404 367 I HN 0.376 nan 8.210 nan 0.000 0.522 368 N N 6.470 125.260 118.700 0.150 0.000 2.402 368 N HA 0.059 4.799 4.740 -0.000 0.000 0.252 368 N C 0.807 176.421 175.510 0.173 0.000 1.118 368 N CA -0.000 53.172 53.050 0.203 0.000 0.945 368 N CB 1.397 40.108 38.487 0.373 0.000 1.147 368 N HN 0.410 nan 8.380 nan 0.000 0.495 369 V N 3.727 123.720 119.914 0.131 0.000 2.358 369 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 369 V C 2.301 178.450 176.094 0.092 0.000 1.047 369 V CA 2.136 64.501 62.300 0.109 0.000 1.035 369 V CB -0.740 31.146 31.823 0.106 0.000 0.658 369 V HN 0.757 nan 8.190 nan 0.000 0.452 370 G N -0.686 108.163 108.800 0.081 0.000 2.484 370 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.218 370 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.218 370 G C 1.462 176.384 174.900 0.038 0.000 1.130 370 G CA 0.470 45.601 45.100 0.052 0.000 0.784 370 G HN 0.499 nan 8.290 nan 0.000 0.543 371 L N 0.505 121.762 121.223 0.056 0.000 2.590 371 L HA 0.241 4.581 4.340 -0.000 0.000 0.227 371 L C 0.773 177.679 176.870 0.060 0.000 1.099 371 L CA -0.119 54.726 54.840 0.008 0.000 0.872 371 L CB 0.399 42.402 42.059 -0.092 0.000 1.088 371 L HN -0.003 nan 8.230 nan 0.000 0.479 372 S N -0.457 115.308 115.700 0.108 0.000 2.616 372 S HA 0.594 5.064 4.470 -0.000 0.000 0.277 372 S C -0.475 174.167 174.600 0.071 0.000 1.234 372 S CA -0.397 57.868 58.200 0.109 0.000 1.028 372 S CB 2.680 65.954 63.200 0.122 0.000 0.988 372 S HN -0.039 nan 8.310 nan 0.000 0.522 373 V N 1.050 121.001 119.914 0.061 0.000 3.177 373 V HA 0.637 4.757 4.120 -0.000 0.000 0.287 373 V C -1.406 174.714 176.094 0.043 0.000 1.465 373 V CA -0.515 61.813 62.300 0.047 0.000 1.020 373 V CB 2.472 34.317 31.823 0.037 0.000 1.152 373 V HN 0.818 nan 8.190 nan 0.000 0.448 374 S N 4.485 120.208 115.700 0.038 0.000 2.640 374 S HA 0.512 4.982 4.470 -0.000 0.000 0.320 374 S C 0.746 175.363 174.600 0.029 0.000 1.097 374 S CA -0.606 57.614 58.200 0.032 0.000 1.092 374 S CB 1.183 64.401 63.200 0.030 0.000 0.988 374 S HN 0.757 nan 8.310 nan 0.000 0.470 375 R N 2.406 122.923 120.500 0.028 0.000 2.148 375 R HA -0.008 4.332 4.340 -0.000 0.000 0.227 375 R C 1.333 177.649 176.300 0.026 0.000 1.103 375 R CA 1.678 57.794 56.100 0.027 0.000 0.983 375 R CB -0.090 30.227 30.300 0.028 0.000 0.874 375 R HN 0.634 nan 8.270 nan 0.000 0.451 376 V N -5.580 114.349 119.914 0.025 0.000 3.372 376 V HA 0.394 4.514 4.120 -0.000 0.000 0.304 376 V C 1.121 177.228 176.094 0.022 0.000 1.530 376 V CA 0.377 62.692 62.300 0.025 0.000 1.080 376 V CB 0.809 32.648 31.823 0.026 0.000 0.929 376 V HN 0.135 nan 8.190 nan 0.000 0.455 377 G N 0.574 109.386 108.800 0.019 0.000 2.683 377 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.213 377 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.213 377 G C 1.367 176.276 174.900 0.015 0.000 1.142 377 G CA 1.066 46.174 45.100 0.013 0.000 0.793 377 G HN 0.459 nan 8.290 nan 0.000 0.534 378 S N 1.159 116.872 115.700 0.021 0.000 2.370 378 S HA -0.093 4.377 4.470 -0.000 0.000 0.226 378 S C 2.741 177.354 174.600 0.023 0.000 1.033 378 S CA 1.192 59.405 58.200 0.022 0.000 1.011 378 S CB -0.275 62.939 63.200 0.024 0.000 0.852 378 S HN 0.545 nan 8.310 nan 0.000 0.457 379 A N 0.645 123.481 122.820 0.027 0.000 2.070 379 A HA 0.204 4.524 4.320 -0.000 0.000 0.220 379 A C 2.034 179.643 177.584 0.042 0.000 1.159 379 A CA 1.551 53.609 52.037 0.036 0.000 0.656 379 A CB -0.499 18.527 19.000 0.044 0.000 0.800 379 A HN 0.517 nan 8.150 nan 0.000 0.453 380 A N -1.460 121.373 122.820 0.023 0.000 2.252 380 A HA 0.246 4.566 4.320 -0.000 0.000 0.213 380 A C 1.091 178.664 177.584 -0.020 0.000 1.188 380 A CA 0.194 52.230 52.037 -0.002 0.000 0.863 380 A CB -0.196 18.784 19.000 -0.034 0.000 0.893 380 A HN 0.568 nan 8.150 nan 0.000 0.495 381 Q N 0.999 120.797 119.800 -0.004 0.000 2.300 381 Q HA 0.306 4.646 4.340 -0.000 0.000 0.280 381 Q C -0.579 175.421 176.000 -0.001 0.000 1.033 381 Q CA -0.230 55.572 55.803 -0.002 0.000 0.903 381 Q CB 0.622 29.367 28.738 0.012 0.000 1.195 381 Q HN 0.227 nan 8.270 nan 0.000 0.386 382 V N 5.652 125.563 119.914 -0.005 0.000 2.644 382 V HA -0.150 3.970 4.120 -0.000 0.000 0.305 382 V C 1.340 177.443 176.094 0.014 0.000 1.053 382 V CA 0.670 62.971 62.300 0.001 0.000 1.186 382 V CB 0.505 32.332 31.823 0.007 0.000 0.895 382 V HN 0.920 nan 8.190 nan 0.000 0.490 383 K N 3.437 123.846 120.400 0.015 0.000 2.147 383 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 383 K C 2.168 178.783 176.600 0.026 0.000 1.049 383 K CA 1.381 57.679 56.287 0.019 0.000 0.936 383 K CB -0.158 32.352 32.500 0.016 0.000 0.722 383 K HN 0.851 nan 8.250 nan 0.000 0.446 384 A N 1.525 124.360 122.820 0.025 0.000 1.877 384 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 384 A C 2.114 179.724 177.584 0.044 0.000 1.186 384 A CA 1.220 53.276 52.037 0.031 0.000 0.620 384 A CB -0.633 18.381 19.000 0.024 0.000 0.822 384 A HN 0.172 nan 8.150 nan 0.000 0.443 385 L N -0.793 120.455 121.223 0.042 0.000 2.012 385 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 385 L C 2.693 179.591 176.870 0.047 0.000 1.073 385 L CA 2.059 56.928 54.840 0.049 0.000 0.748 385 L CB -0.381 41.704 42.059 0.043 0.000 0.891 385 L HN 0.452 nan 8.230 nan 0.000 0.431 386 K N -0.329 120.094 120.400 0.039 0.000 2.074 386 K HA -0.265 4.055 4.320 -0.000 0.000 0.209 386 K C 2.113 178.737 176.600 0.039 0.000 1.048 386 K CA 1.773 58.082 56.287 0.036 0.000 0.926 386 K CB 0.011 32.528 32.500 0.029 0.000 0.713 386 K HN 0.396 nan 8.250 nan 0.000 0.444 387 Q N -0.311 119.516 119.800 0.045 0.000 2.079 387 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 387 Q C 2.052 178.090 176.000 0.064 0.000 0.974 387 Q CA 1.620 57.453 55.803 0.051 0.000 0.840 387 Q CB 0.064 28.835 28.738 0.055 0.000 0.898 387 Q HN 0.354 nan 8.270 nan 0.000 0.430 388 V N -2.843 117.121 119.914 0.084 0.000 3.406 388 V HA 0.311 4.431 4.120 -0.000 0.000 0.263 388 V C 1.166 177.293 176.094 0.054 0.000 1.172 388 V CA 0.938 63.304 62.300 0.110 0.000 1.140 388 V CB 0.087 32.021 31.823 0.185 0.000 0.784 388 V HN 0.176 nan 8.190 nan 0.000 0.467 389 A N 0.897 123.743 122.820 0.043 0.000 2.713 389 A HA 0.680 5.000 4.320 -0.000 0.000 0.296 389 A C 1.156 178.753 177.584 0.021 0.000 1.255 389 A CA 0.271 52.325 52.037 0.028 0.000 0.955 389 A CB -0.969 18.055 19.000 0.041 0.000 1.149 389 A HN 0.769 nan 8.150 nan 0.000 0.538 390 G N -0.642 108.165 108.800 0.011 0.000 2.255 390 G HA2 0.393 4.353 3.960 -0.000 0.000 0.267 390 G HA3 0.393 4.353 3.960 -0.000 0.000 0.267 390 G C 0.776 175.679 174.900 0.004 0.000 1.177 390 G CA 0.796 45.902 45.100 0.009 0.000 1.027 390 G HN 0.893 nan 8.290 nan 0.000 0.437 391 S N 0.819 116.538 115.700 0.030 0.000 2.261 391 S HA -0.255 4.214 4.470 -0.000 0.000 0.247 391 S C 1.721 176.379 174.600 0.096 0.000 1.195 391 S CA 0.839 59.073 58.200 0.056 0.000 1.464 391 S CB -1.269 61.956 63.200 0.041 0.000 1.835 391 S HN 0.832 nan 8.310 nan 0.000 0.598 392 L N 2.276 123.537 121.223 0.063 0.000 2.034 392 L HA -0.187 4.153 4.340 -0.000 0.000 0.217 392 L C 2.118 179.082 176.870 0.155 0.000 1.077 392 L CA 3.092 57.990 54.840 0.097 0.000 0.769 392 L CB -0.584 41.506 42.059 0.052 0.000 0.890 392 L HN 0.489 nan 8.230 nan 0.000 0.435 393 K N -0.671 119.796 120.400 0.112 0.000 1.991 393 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 393 K C 2.031 178.699 176.600 0.115 0.000 1.049 393 K CA 2.151 58.500 56.287 0.104 0.000 0.932 393 K CB -0.510 32.035 32.500 0.076 0.000 0.717 393 K HN 0.408 nan 8.250 nan 0.000 0.441 394 L N -0.201 121.091 121.223 0.115 0.000 2.083 394 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 394 L C 2.340 179.289 176.870 0.133 0.000 1.083 394 L CA 1.258 56.161 54.840 0.105 0.000 0.752 394 L CB -0.479 41.638 42.059 0.096 0.000 0.899 394 L HN 0.216 nan 8.230 nan 0.000 0.433 395 F N 0.448 120.420 119.950 0.038 0.000 2.075 395 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 395 F C 2.209 178.064 175.800 0.092 0.000 1.113 395 F CA 1.553 59.582 58.000 0.048 0.000 1.218 395 F CB -0.197 38.815 39.000 0.021 0.000 0.984 395 F HN -0.153 nan 8.300 nan 0.000 0.472 396 L N 0.055 121.381 121.223 0.172 0.000 2.042 396 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 396 L C 2.720 179.639 176.870 0.082 0.000 1.076 396 L CA 1.318 56.238 54.840 0.133 0.000 0.749 396 L CB -1.135 41.031 42.059 0.179 0.000 0.893 396 L HN 0.253 nan 8.230 nan 0.000 0.432 397 A N -1.110 121.745 122.820 0.057 0.000 2.125 397 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 397 A C 2.180 179.751 177.584 -0.022 0.000 1.156 397 A CA 1.311 53.367 52.037 0.031 0.000 0.671 397 A CB -0.259 18.764 19.000 0.039 0.000 0.794 397 A HN 0.529 nan 8.150 nan 0.000 0.459 398 Q N -2.371 117.383 119.800 -0.076 0.000 2.259 398 Q HA -0.037 4.302 4.340 -0.000 0.000 0.201 398 Q C 1.905 177.794 176.000 -0.185 0.000 0.938 398 Q CA 0.962 56.687 55.803 -0.130 0.000 0.872 398 Q CB -0.248 28.406 28.738 -0.140 0.000 0.971 398 Q HN 0.842 nan 8.270 nan 0.000 0.494 399 Y N 1.869 121.918 120.300 -0.417 0.000 2.151 399 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 399 Y C 2.185 177.995 175.900 -0.150 0.000 1.166 399 Y CA 1.698 59.577 58.100 -0.368 0.000 1.163 399 Y CB -0.123 38.076 38.460 -0.435 0.000 0.974 399 Y HN -0.118 nan 8.280 nan 0.000 0.511 400 R N 0.361 120.644 120.500 -0.361 0.000 2.120 400 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 400 R C 2.078 178.239 176.300 -0.231 0.000 1.123 400 R CA 1.764 57.637 56.100 -0.378 0.000 0.975 400 R CB -0.150 30.076 30.300 -0.122 0.000 0.866 400 R HN 0.562 nan 8.270 nan 0.000 0.446 401 E N -0.490 119.629 120.200 -0.135 0.000 2.216 401 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 401 E C 1.790 178.395 176.600 0.009 0.000 0.988 401 E CA 1.043 57.430 56.400 -0.022 0.000 0.834 401 E CB 0.333 30.017 29.700 -0.025 0.000 0.772 401 E HN 0.199 nan 8.360 nan 0.000 0.479 402 V N 0.914 120.765 119.914 -0.104 0.000 2.591 402 V HA -0.096 4.024 4.120 -0.000 0.000 0.249 402 V C 2.311 178.370 176.094 -0.058 0.000 1.053 402 V CA 1.338 63.600 62.300 -0.062 0.000 1.068 402 V CB -0.556 31.225 31.823 -0.071 0.000 0.689 402 V HN 0.207 nan 8.190 nan 0.000 0.462 403 A N 0.871 123.551 122.820 -0.233 0.000 1.877 403 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 403 A C 2.471 179.998 177.584 -0.095 0.000 1.186 403 A CA 2.112 54.006 52.037 -0.239 0.000 0.620 403 A CB -0.931 17.766 19.000 -0.505 0.000 0.822 403 A HN 0.570 nan 8.150 nan 0.000 0.443 404 A N -1.417 121.363 122.820 -0.068 0.000 1.940 404 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 404 A C 1.808 179.337 177.584 -0.092 0.000 1.176 404 A CA 1.588 53.586 52.037 -0.066 0.000 0.631 404 A CB -0.728 18.240 19.000 -0.054 0.000 0.814 404 A HN 0.484 nan 8.150 nan 0.000 0.446 405 F N -0.592 119.313 119.950 -0.074 0.000 2.811 405 F HA 0.235 4.762 4.527 -0.000 0.000 0.301 405 F C 2.351 178.126 175.800 -0.042 0.000 1.151 405 F CA 0.330 58.300 58.000 -0.051 0.000 1.412 405 F CB -0.032 38.940 39.000 -0.047 0.000 1.113 405 F HN 0.267 nan 8.300 nan 0.000 0.579 406 A N -0.718 122.151 122.820 0.081 0.000 1.903 406 A HA -0.023 4.297 4.320 -0.000 0.000 0.213 406 A C 1.467 179.058 177.584 0.013 0.000 1.185 406 A CA 0.406 52.470 52.037 0.044 0.000 0.628 406 A CB -0.372 18.644 19.000 0.026 0.000 0.830 406 A HN 0.282 nan 8.150 nan 0.000 0.446 412 L N 2.280 123.515 121.223 0.019 0.000 2.376 412 L HA 0.117 4.457 4.340 -0.000 0.000 0.250 412 L C 0.434 177.315 176.870 0.017 0.000 1.335 412 L CA -0.163 54.688 54.840 0.019 0.000 1.214 412 L CB -0.553 41.516 42.059 0.016 0.000 1.395 412 L HN 0.226 nan 8.230 nan 0.000 0.424 413 D N 0.938 121.349 120.400 0.019 0.000 2.351 413 D HA 0.218 4.858 4.640 -0.000 0.000 0.251 413 D C 1.051 177.362 176.300 0.017 0.000 1.137 413 D CA 0.215 54.225 54.000 0.016 0.000 0.879 413 D CB 1.772 42.580 40.800 0.015 0.000 1.181 413 D HN 0.345 nan 8.370 nan 0.000 0.448 414 A N 3.164 125.992 122.820 0.013 0.000 1.877 414 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 414 A C 2.156 179.750 177.584 0.016 0.000 1.186 414 A CA 1.923 53.967 52.037 0.012 0.000 0.620 414 A CB -0.834 18.170 19.000 0.007 0.000 0.822 414 A HN 0.570 nan 8.150 nan 0.000 0.443 415 S N -0.698 115.012 115.700 0.016 0.000 2.406 415 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 415 S C 2.059 176.680 174.600 0.036 0.000 1.020 415 S CA 2.104 60.317 58.200 0.022 0.000 0.965 415 S CB -0.622 62.588 63.200 0.017 0.000 0.798 415 S HN 0.800 nan 8.310 nan 0.000 0.488 416 T N -1.133 113.441 114.554 0.033 0.000 3.023 416 T HA 0.163 4.513 4.350 -0.000 0.000 0.266 416 T C 1.695 176.431 174.700 0.060 0.000 1.093 416 T CA 0.736 62.862 62.100 0.044 0.000 1.129 416 T CB -0.208 68.677 68.868 0.027 0.000 0.899 416 T HN 0.346 nan 8.240 nan 0.000 0.491 417 K N 0.882 121.311 120.400 0.049 0.000 2.155 417 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 417 K C 2.540 179.173 176.600 0.056 0.000 1.052 417 K CA 0.848 57.165 56.287 0.051 0.000 0.948 417 K CB -0.101 32.419 32.500 0.033 0.000 0.728 417 K HN 0.454 nan 8.250 nan 0.000 0.448 418 Q N -0.003 119.827 119.800 0.050 0.000 2.123 418 Q HA -0.126 4.214 4.340 -0.000 0.000 0.199 418 Q C 1.749 177.798 176.000 0.083 0.000 0.966 418 Q CA 1.954 57.783 55.803 0.044 0.000 0.845 418 Q CB 0.043 28.796 28.738 0.026 0.000 0.907 418 Q HN 0.440 nan 8.270 nan 0.000 0.439 419 T N -1.314 113.322 114.554 0.136 0.000 2.951 419 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 419 T C 1.697 176.540 174.700 0.238 0.000 1.073 419 T CA 0.677 62.930 62.100 0.254 0.000 1.134 419 T CB -0.116 68.908 68.868 0.259 0.000 0.884 419 T HN 0.216 nan 8.240 nan 0.000 0.479 420 L N 1.016 122.356 121.223 0.195 0.000 2.109 420 L HA 0.176 4.516 4.340 -0.000 0.000 0.207 420 L C 2.650 179.603 176.870 0.138 0.000 1.086 420 L CA 1.086 56.075 54.840 0.248 0.000 0.760 420 L CB -0.519 41.645 42.059 0.175 0.000 0.910 420 L HN 0.153 nan 8.230 nan 0.000 0.437 421 V N -0.541 119.416 119.914 0.072 0.000 2.307 421 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 421 V C 2.783 178.859 176.094 -0.031 0.000 1.045 421 V CA 1.441 63.751 62.300 0.016 0.000 1.024 421 V CB -0.635 31.188 31.823 0.001 0.000 0.651 421 V HN 0.389 nan 8.190 nan 0.000 0.449 422 R N 0.339 120.832 120.500 -0.011 0.000 2.070 422 R HA -0.119 4.221 4.340 -0.000 0.000 0.233 422 R C 2.467 178.701 176.300 -0.111 0.000 1.137 422 R CA 1.716 57.788 56.100 -0.047 0.000 0.945 422 R CB -1.325 28.977 30.300 0.002 0.000 0.845 422 R HN 0.569 nan 8.270 nan 0.000 0.430 423 G N 1.064 109.726 108.800 -0.230 0.000 2.446 423 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 423 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 423 G C 1.325 175.775 174.900 -0.749 0.000 1.168 423 G CA 0.745 45.301 45.100 -0.907 0.000 0.771 423 G HN 0.393 nan 8.290 nan 0.000 0.551 424 E N -0.035 119.920 120.200 -0.408 0.000 2.085 424 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 424 E C 2.873 179.414 176.600 -0.098 0.000 0.994 424 E CA 0.618 56.947 56.400 -0.119 0.000 0.801 424 E CB -0.038 29.667 29.700 0.009 0.000 0.743 424 E HN 0.152 nan 8.360 nan 0.000 0.453 425 R N 0.519 120.952 120.500 -0.112 0.000 2.081 425 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 425 R C 2.459 178.704 176.300 -0.092 0.000 1.131 425 R CA 0.932 56.971 56.100 -0.100 0.000 0.960 425 R CB -0.881 29.347 30.300 -0.121 0.000 0.856 425 R HN 0.265 nan 8.270 nan 0.000 0.436 426 L N 0.215 121.373 121.223 -0.108 0.000 2.093 426 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 426 L C 2.356 179.207 176.870 -0.033 0.000 1.085 426 L CA 1.401 56.201 54.840 -0.067 0.000 0.755 426 L CB -0.650 41.376 42.059 -0.054 0.000 0.904 426 L HN 0.180 nan 8.230 nan 0.000 0.435 427 T N -1.242 113.281 114.554 -0.051 0.000 2.708 427 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 427 T C 1.927 176.637 174.700 0.017 0.000 1.037 427 T CA 1.042 63.149 62.100 0.011 0.000 1.146 427 T CB -0.142 68.755 68.868 0.049 0.000 0.865 427 T HN 0.256 nan 8.240 nan 0.000 0.435 428 Q N 0.414 120.214 119.800 -0.000 0.000 2.096 428 Q HA -0.042 4.298 4.340 -0.000 0.000 0.204 428 Q C 2.413 178.422 176.000 0.015 0.000 0.982 428 Q CA 1.022 56.829 55.803 0.006 0.000 0.850 428 Q CB -0.713 28.022 28.738 -0.006 0.000 0.901 428 Q HN 0.376 nan 8.270 nan 0.000 0.422 429 L N 0.329 121.556 121.223 0.007 0.000 2.083 429 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 429 L C 2.014 178.910 176.870 0.044 0.000 1.083 429 L CA 1.411 56.267 54.840 0.028 0.000 0.752 429 L CB -0.345 41.720 42.059 0.011 0.000 0.899 429 L HN 0.151 nan 8.230 nan 0.000 0.433 430 L N -1.009 120.237 121.223 0.037 0.000 2.492 430 L HA -0.019 4.321 4.340 -0.000 0.000 0.223 430 L C 0.928 177.823 176.870 0.041 0.000 1.132 430 L CA -0.021 54.846 54.840 0.045 0.000 0.850 430 L CB -0.421 41.668 42.059 0.049 0.000 0.966 430 L HN 0.107 nan 8.230 nan 0.000 0.454 431 K N 1.519 121.939 120.400 0.034 0.000 2.489 431 K HA 0.064 4.384 4.320 -0.000 0.000 0.278 431 K C -0.030 176.586 176.600 0.026 0.000 1.000 431 K CA 0.597 56.898 56.287 0.023 0.000 1.012 431 K CB 0.461 32.969 32.500 0.013 0.000 0.903 431 K HN 0.046 nan 8.250 nan 0.000 0.485 432 Q N 2.350 122.160 119.800 0.016 0.000 2.320 432 Q HA 0.163 4.502 4.340 -0.000 0.000 0.272 432 Q C -1.317 174.683 176.000 -0.001 0.000 1.023 432 Q CA -0.840 54.974 55.803 0.017 0.000 0.855 432 Q CB 1.393 30.145 28.738 0.024 0.000 1.367 432 Q HN 0.509 nan 8.270 nan 0.000 0.406 433 N N 2.164 120.866 118.700 0.004 0.000 2.453 433 N HA 0.037 4.777 4.740 -0.000 0.000 0.253 433 N C -0.556 174.932 175.510 -0.037 0.000 1.252 433 N CA 0.065 53.111 53.050 -0.007 0.000 0.917 433 N CB 0.698 39.199 38.487 0.023 0.000 1.117 433 N HN 0.563 nan 8.380 nan 0.000 0.442 434 Q N 0.260 119.999 119.800 -0.102 0.000 2.394 434 Q HA 0.020 4.360 4.340 -0.000 0.000 0.248 434 Q C -0.424 175.451 176.000 -0.208 0.000 0.992 434 Q CA -0.142 55.469 55.803 -0.321 0.000 0.888 434 Q CB 0.252 28.628 28.738 -0.605 0.000 1.257 434 Q HN 0.574 nan 8.270 nan 0.000 0.462 435 Y N -0.472 119.872 120.300 0.074 0.000 4.409 435 Y HA -0.251 4.299 4.550 -0.000 0.000 0.228 435 Y C -0.157 175.808 175.900 0.109 0.000 1.108 435 Y CA 0.832 59.014 58.100 0.137 0.000 1.955 435 Y CB -2.201 36.392 38.460 0.221 0.000 1.615 435 Y HN 0.356 nan 8.280 nan 0.000 0.665 436 S N 0.247 116.026 115.700 0.133 0.000 2.204 436 S HA 0.348 4.818 4.470 -0.000 0.000 0.178 436 S C -2.517 172.114 174.600 0.052 0.000 1.493 436 S CA -0.929 57.321 58.200 0.083 0.000 1.266 436 S CB 1.057 64.294 63.200 0.062 0.000 1.232 436 S HN 0.023 nan 8.310 nan 0.000 0.406 437 P HA 0.361 nan 4.420 nan 0.000 0.280 437 P C -0.709 176.602 177.300 0.018 0.000 1.244 437 P CA -0.402 62.724 63.100 0.043 0.000 0.784 437 P CB 0.701 32.436 31.700 0.059 0.000 0.913 438 L N 1.930 123.167 121.223 0.023 0.000 2.322 438 L HA 0.621 4.961 4.340 -0.000 0.000 0.279 438 L C 0.886 177.762 176.870 0.011 0.000 1.036 438 L CA -1.115 53.730 54.840 0.009 0.000 0.807 438 L CB 1.312 43.383 42.059 0.020 0.000 1.226 438 L HN 0.373 nan 8.230 nan 0.000 0.433 439 A N 1.643 124.451 122.820 -0.020 0.000 2.466 439 A HA 0.201 4.521 4.320 -0.000 0.000 0.238 439 A C 1.212 178.814 177.584 0.030 0.000 1.074 439 A CA -0.038 51.991 52.037 -0.012 0.000 0.774 439 A CB 0.197 19.160 19.000 -0.061 0.000 1.015 439 A HN 0.879 nan 8.150 nan 0.000 0.498 440 T N 0.834 115.430 114.554 0.071 0.000 2.833 440 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 440 T C 1.741 176.462 174.700 0.035 0.000 1.054 440 T CA 1.691 63.831 62.100 0.067 0.000 1.135 440 T CB -0.187 68.735 68.868 0.091 0.000 0.869 440 T HN 0.882 nan 8.240 nan 0.000 0.466 441 E N 1.798 122.007 120.200 0.015 0.000 2.268 441 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 441 E C 1.501 178.083 176.600 -0.031 0.000 0.995 441 E CA 1.131 57.523 56.400 -0.014 0.000 0.836 441 E CB -0.237 29.444 29.700 -0.031 0.000 0.763 441 E HN 0.573 nan 8.360 nan 0.000 0.491 442 E N 0.504 120.689 120.200 -0.025 0.000 2.250 442 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 442 E C 2.155 178.761 176.600 0.009 0.000 0.986 442 E CA 0.434 56.814 56.400 -0.033 0.000 0.849 442 E CB 0.136 29.813 29.700 -0.038 0.000 0.797 442 E HN 0.374 nan 8.360 nan 0.000 0.482 443 Q N 0.311 120.129 119.800 0.031 0.000 2.137 443 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 443 Q C 2.564 178.612 176.000 0.079 0.000 0.960 443 Q CA 1.454 57.293 55.803 0.059 0.000 0.847 443 Q CB -0.018 28.755 28.738 0.058 0.000 0.915 443 Q HN 0.261 nan 8.270 nan 0.000 0.448 444 V N -0.923 119.030 119.914 0.065 0.000 2.332 444 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 444 V C -0.885 175.287 176.094 0.130 0.000 1.055 444 V CA 1.262 63.612 62.300 0.083 0.000 1.038 444 V CB -2.140 29.713 31.823 0.050 0.000 0.651 444 V HN 0.181 nan 8.190 nan 0.000 0.450 445 P HA 0.028 nan 4.420 nan 0.000 0.218 445 P C 2.073 179.579 177.300 0.345 0.000 1.152 445 P CA 1.174 64.396 63.100 0.203 0.000 0.826 445 P CB -0.107 31.654 31.700 0.102 0.000 0.790 446 L N -1.158 120.235 121.223 0.284 0.000 2.046 446 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 446 L C 2.423 179.413 176.870 0.200 0.000 1.077 446 L CA 1.445 56.460 54.840 0.292 0.000 0.747 446 L CB -0.851 41.344 42.059 0.227 0.000 0.896 446 L HN -0.097 nan 8.230 nan 0.000 0.432 447 I N -1.744 118.924 120.570 0.164 0.000 2.353 447 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 447 I C 2.522 178.708 176.117 0.114 0.000 1.119 447 I CA 1.135 62.502 61.300 0.111 0.000 1.417 447 I CB -0.329 37.726 38.000 0.093 0.000 1.078 447 I HN 0.150 nan 8.210 nan 0.000 0.421 448 Y N 1.913 122.252 120.300 0.066 0.000 2.070 448 Y HA -0.352 4.198 4.550 -0.000 0.000 0.280 448 Y C 2.623 178.573 175.900 0.084 0.000 1.148 448 Y CA 1.857 59.995 58.100 0.064 0.000 1.125 448 Y CB -0.359 38.140 38.460 0.066 0.000 0.975 448 Y HN 0.121 nan 8.280 nan 0.000 0.492 449 A N -0.077 122.894 122.820 0.252 0.000 1.978 449 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 449 A C 2.390 179.986 177.584 0.019 0.000 1.170 449 A CA 1.811 53.936 52.037 0.147 0.000 0.636 449 A CB -1.664 17.391 19.000 0.091 0.000 0.810 449 A HN 0.637 nan 8.150 nan 0.000 0.448 450 G N -0.675 108.110 108.800 -0.024 0.000 2.454 450 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.214 450 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.214 450 G C 1.491 176.302 174.900 -0.148 0.000 1.217 450 G CA 1.096 46.142 45.100 -0.091 0.000 0.799 450 G HN 0.293 nan 8.290 nan 0.000 0.538 451 V N 1.908 121.726 119.914 -0.160 0.000 2.392 451 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 451 V C 2.290 178.216 176.094 -0.281 0.000 1.059 451 V CA 1.760 63.919 62.300 -0.234 0.000 1.051 451 V CB -0.426 31.279 31.823 -0.196 0.000 0.658 451 V HN 0.375 nan 8.190 nan 0.000 0.455 452 N N -0.017 118.500 118.700 -0.305 0.000 2.467 452 N HA 0.063 4.803 4.740 -0.000 0.000 0.184 452 N C 1.473 176.787 175.510 -0.326 0.000 1.106 452 N CA 1.039 53.893 53.050 -0.326 0.000 0.892 452 N CB 0.838 39.058 38.487 -0.444 0.000 0.969 452 N HN 0.619 nan 8.380 nan 0.000 0.454 453 G N 0.721 109.362 108.800 -0.265 0.000 2.130 453 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 453 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 453 G C 0.301 175.027 174.900 -0.290 0.000 0.999 453 G CA 0.032 44.973 45.100 -0.265 0.000 0.686 453 G HN 0.476 nan 8.290 nan 0.000 0.515 454 H N -0.510 118.464 119.070 -0.159 0.000 2.547 454 H HA 0.327 4.882 4.556 -0.000 0.000 0.272 454 H C 2.467 177.665 175.328 -0.216 0.000 0.989 454 H CA 1.146 57.110 56.048 -0.140 0.000 1.214 454 H CB 0.162 29.872 29.762 -0.087 0.000 1.389 454 H HN 0.470 nan 8.280 nan 0.000 0.577 455 L N -0.258 120.861 121.223 -0.174 0.000 2.607 455 L HA 0.042 4.382 4.340 -0.000 0.000 0.228 455 L C 0.966 177.721 176.870 -0.191 0.000 1.123 455 L CA 0.037 54.710 54.840 -0.279 0.000 0.890 455 L CB 0.291 42.154 42.059 -0.328 0.000 1.103 455 L HN 0.136 nan 8.230 nan 0.000 0.468 456 D N 0.937 121.246 120.400 -0.152 0.000 2.178 456 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 456 D C 2.093 178.337 176.300 -0.093 0.000 0.980 456 D CA 1.319 55.249 54.000 -0.118 0.000 0.842 456 D CB -0.010 40.720 40.800 -0.117 0.000 0.948 456 D HN 0.283 nan 8.370 nan 0.000 0.472 457 G N -0.540 108.204 108.800 -0.092 0.000 3.042 457 G HA2 0.156 4.116 3.960 -0.000 0.000 0.212 457 G HA3 0.156 4.116 3.960 -0.000 0.000 0.212 457 G C 0.473 175.334 174.900 -0.065 0.000 1.166 457 G CA -0.223 44.837 45.100 -0.068 0.000 0.767 457 G HN 0.171 nan 8.290 nan 0.000 0.546 458 I N 1.011 121.528 120.570 -0.088 0.000 2.353 458 I HA 0.202 4.372 4.170 -0.000 0.000 0.293 458 I C 0.031 176.113 176.117 -0.059 0.000 0.992 458 I CA -0.753 60.501 61.300 -0.078 0.000 1.268 458 I CB 1.693 39.617 38.000 -0.127 0.000 1.387 458 I HN 0.044 nan 8.210 nan 0.000 0.478 459 E N 3.577 123.757 120.200 -0.033 0.000 2.467 459 E HA -0.094 4.256 4.350 -0.000 0.000 0.264 459 E C 0.654 177.241 176.600 -0.020 0.000 1.020 459 E CA -0.202 56.185 56.400 -0.021 0.000 0.945 459 E CB 0.734 30.429 29.700 -0.008 0.000 0.942 459 E HN 0.423 nan 8.360 nan 0.000 0.449 460 L N 2.943 124.157 121.223 -0.015 0.000 2.083 460 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 460 L C 2.200 179.070 176.870 -0.000 0.000 1.083 460 L CA 2.098 56.931 54.840 -0.012 0.000 0.752 460 L CB -0.574 41.482 42.059 -0.004 0.000 0.899 460 L HN 0.653 nan 8.230 nan 0.000 0.433 461 S N -1.267 114.436 115.700 0.005 0.000 2.474 461 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 461 S C 1.730 176.346 174.600 0.026 0.000 0.997 461 S CA 0.535 58.742 58.200 0.012 0.000 0.949 461 S CB -0.411 62.794 63.200 0.010 0.000 0.766 461 S HN 0.485 nan 8.310 nan 0.000 0.517 462 R N 0.116 120.635 120.500 0.031 0.000 2.468 462 R HA 0.362 4.702 4.340 -0.000 0.000 0.280 462 R C 0.785 177.146 176.300 0.102 0.000 0.963 462 R CA -0.234 55.904 56.100 0.063 0.000 1.083 462 R CB 0.024 30.360 30.300 0.059 0.000 1.200 462 R HN 0.375 nan 8.270 nan 0.000 0.541 463 I N 0.266 120.875 120.570 0.066 0.000 2.252 463 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 463 I C 2.360 178.573 176.117 0.161 0.000 1.102 463 I CA 1.522 62.868 61.300 0.076 0.000 1.385 463 I CB -1.289 36.713 38.000 0.003 0.000 1.064 463 I HN 0.211 nan 8.210 nan 0.000 0.414 464 G N 0.336 109.205 108.800 0.114 0.000 2.422 464 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 464 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 464 G C 1.612 176.595 174.900 0.139 0.000 1.146 464 G CA 0.674 45.843 45.100 0.114 0.000 0.769 464 G HN 0.484 nan 8.290 nan 0.000 0.547 465 E N -0.578 119.705 120.200 0.140 0.000 2.204 465 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 465 E C 1.963 178.686 176.600 0.204 0.000 0.989 465 E CA 0.405 56.889 56.400 0.139 0.000 0.824 465 E CB -0.205 29.562 29.700 0.111 0.000 0.756 465 E HN 0.446 nan 8.360 nan 0.000 0.477 466 F N 1.923 121.942 119.950 0.115 0.000 2.084 466 F HA -0.155 4.372 4.527 -0.000 0.000 0.296 466 F C 2.237 178.167 175.800 0.216 0.000 1.111 466 F CA 2.091 60.202 58.000 0.185 0.000 1.224 466 F CB -0.327 38.747 39.000 0.124 0.000 0.991 466 F HN 0.024 nan 8.300 nan 0.000 0.471 467 E N 0.383 120.793 120.200 0.351 0.000 2.021 467 E HA -0.287 4.063 4.350 -0.000 0.000 0.200 467 E C 2.234 178.871 176.600 0.061 0.000 1.015 467 E CA 2.430 58.967 56.400 0.227 0.000 0.824 467 E CB -0.401 29.432 29.700 0.222 0.000 0.762 467 E HN 0.536 nan 8.360 nan 0.000 0.454 468 S N 0.110 115.850 115.700 0.067 0.000 2.387 468 S HA -0.183 4.286 4.470 -0.000 0.000 0.230 468 S C 2.252 176.854 174.600 0.003 0.000 1.035 468 S CA 1.576 59.793 58.200 0.028 0.000 1.014 468 S CB -0.406 62.819 63.200 0.043 0.000 0.836 468 S HN 0.170 nan 8.310 nan 0.000 0.466 469 S N 0.837 116.556 115.700 0.031 0.000 2.387 469 S HA 0.152 4.622 4.470 -0.000 0.000 0.226 469 S C 1.365 175.894 174.600 -0.117 0.000 1.026 469 S CA 0.741 58.996 58.200 0.093 0.000 0.972 469 S CB -0.439 62.935 63.200 0.290 0.000 0.814 469 S HN 0.546 nan 8.310 nan 0.000 0.477 470 F N 2.262 121.806 119.950 -0.677 0.000 2.206 470 F HA 0.159 4.686 4.527 -0.000 0.000 0.298 470 F C 1.648 177.130 175.800 -0.532 0.000 1.090 470 F CA 0.698 57.981 58.000 -1.195 0.000 1.323 470 F CB -0.527 37.706 39.000 -1.277 0.000 1.028 470 F HN 0.084 nan 8.300 nan 0.000 0.492 471 L N -0.995 120.010 121.223 -0.364 0.000 2.093 471 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 471 L C 2.567 179.290 176.870 -0.245 0.000 1.085 471 L CA 1.283 55.931 54.840 -0.320 0.000 0.755 471 L CB -0.928 41.033 42.059 -0.164 0.000 0.904 471 L HN 0.006 nan 8.230 nan 0.000 0.435 472 S N -1.075 114.531 115.700 -0.156 0.000 2.359 472 S HA -0.250 4.220 4.470 -0.000 0.000 0.224 472 S C 1.894 176.443 174.600 -0.085 0.000 1.035 472 S CA 1.411 59.558 58.200 -0.087 0.000 1.018 472 S CB -0.387 62.804 63.200 -0.014 0.000 0.876 472 S HN 0.423 nan 8.310 nan 0.000 0.448 473 Y N 2.036 122.192 120.300 -0.240 0.000 2.145 473 Y HA -0.091 4.458 4.550 -0.000 0.000 0.286 473 Y C 1.861 177.636 175.900 -0.209 0.000 1.145 473 Y CA 1.373 59.358 58.100 -0.191 0.000 1.148 473 Y CB -0.438 37.858 38.460 -0.272 0.000 0.981 473 Y HN 0.156 nan 8.280 nan 0.000 0.507 474 L N -0.127 120.862 121.223 -0.389 0.000 2.141 474 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 474 L C 2.406 179.101 176.870 -0.291 0.000 1.094 474 L CA 1.484 56.085 54.840 -0.397 0.000 0.763 474 L CB -0.429 41.323 42.059 -0.512 0.000 0.908 474 L HN 0.133 nan 8.230 nan 0.000 0.437 475 K N -0.246 120.005 120.400 -0.247 0.000 2.062 475 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 475 K C 2.376 178.867 176.600 -0.181 0.000 1.051 475 K CA 1.632 57.809 56.287 -0.184 0.000 0.941 475 K CB -0.084 32.329 32.500 -0.146 0.000 0.719 475 K HN 0.342 nan 8.250 nan 0.000 0.440 476 S N 0.530 116.113 115.700 -0.194 0.000 2.387 476 S HA -0.036 4.434 4.470 -0.000 0.000 0.226 476 S C 1.429 175.880 174.600 -0.249 0.000 1.026 476 S CA 1.111 59.204 58.200 -0.178 0.000 0.972 476 S CB -0.153 62.972 63.200 -0.124 0.000 0.814 476 S HN 0.194 nan 8.310 nan 0.000 0.477 477 N N 0.763 119.224 118.700 -0.397 0.000 2.660 477 N HA 0.166 4.906 4.740 -0.000 0.000 0.231 477 N C 0.345 175.547 175.510 -0.513 0.000 1.022 477 N CA 0.617 53.341 53.050 -0.542 0.000 1.178 477 N CB -0.338 37.614 38.487 -0.891 0.000 1.536 477 N HN 0.344 nan 8.380 nan 0.000 0.582 478 H N 1.046 119.902 119.070 -0.355 0.000 3.001 478 H HA 0.144 4.700 4.556 -0.000 0.000 0.248 478 H C 0.285 175.489 175.328 -0.207 0.000 1.663 478 H CA 0.029 55.933 56.048 -0.240 0.000 1.258 478 H CB -0.402 29.226 29.762 -0.223 0.000 1.547 478 H HN 0.274 nan 8.280 nan 0.000 0.557 479 N N 1.342 119.965 118.700 -0.129 0.000 2.381 479 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 479 N C 1.528 176.989 175.510 -0.080 0.000 1.025 479 N CA 0.802 53.784 53.050 -0.113 0.000 0.888 479 N CB 0.280 38.696 38.487 -0.119 0.000 0.965 479 N HN 0.494 nan 8.380 nan 0.000 0.438 480 E N -0.365 119.797 120.200 -0.063 0.000 2.150 480 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 480 E C 1.731 178.306 176.600 -0.042 0.000 0.985 480 E CA 0.669 57.040 56.400 -0.047 0.000 0.814 480 E CB 0.016 29.693 29.700 -0.037 0.000 0.752 480 E HN 0.445 nan 8.360 nan 0.000 0.466 481 L N 0.457 121.656 121.223 -0.040 0.000 2.072 481 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 481 L C 2.457 179.287 176.870 -0.066 0.000 1.079 481 L CA 0.847 55.654 54.840 -0.055 0.000 0.752 481 L CB -0.603 41.412 42.059 -0.074 0.000 0.906 481 L HN 0.158 nan 8.230 nan 0.000 0.436 482 L N -0.286 120.890 121.223 -0.079 0.000 2.079 482 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 482 L C 2.663 179.497 176.870 -0.059 0.000 1.081 482 L CA 1.444 56.235 54.840 -0.081 0.000 0.752 482 L CB -1.025 40.973 42.059 -0.103 0.000 0.896 482 L HN 0.314 nan 8.230 nan 0.000 0.433 483 T N -0.897 113.624 114.554 -0.055 0.000 2.777 483 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 483 T C 1.737 176.419 174.700 -0.029 0.000 1.040 483 T CA 1.198 63.272 62.100 -0.042 0.000 1.141 483 T CB -0.134 68.709 68.868 -0.043 0.000 0.868 483 T HN 0.394 nan 8.240 nan 0.000 0.444 484 E N 0.699 120.881 120.200 -0.031 0.000 2.077 484 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 484 E C 2.200 178.789 176.600 -0.017 0.000 0.989 484 E CA 0.979 57.365 56.400 -0.023 0.000 0.800 484 E CB -0.340 29.345 29.700 -0.026 0.000 0.746 484 E HN 0.485 nan 8.360 nan 0.000 0.452 485 I N 0.792 121.348 120.570 -0.023 0.000 2.163 485 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 485 I C 2.783 178.902 176.117 0.002 0.000 1.085 485 I CA 1.098 62.390 61.300 -0.014 0.000 1.347 485 I CB -0.321 37.666 38.000 -0.023 0.000 1.044 485 I HN 0.045 nan 8.210 nan 0.000 0.408 486 R N 1.102 121.602 120.500 0.001 0.000 2.080 486 R HA -0.207 4.133 4.340 -0.000 0.000 0.236 486 R C 2.130 178.448 176.300 0.030 0.000 1.137 486 R CA 1.943 58.056 56.100 0.021 0.000 0.943 486 R CB -0.134 30.169 30.300 0.004 0.000 0.846 486 R HN 0.433 nan 8.270 nan 0.000 0.431 487 E N -0.562 119.646 120.200 0.013 0.000 2.158 487 E HA -0.104 4.245 4.350 -0.000 0.000 0.191 487 E C 1.890 178.498 176.600 0.013 0.000 0.982 487 E CA 0.840 57.249 56.400 0.015 0.000 0.823 487 E CB 0.269 29.971 29.700 0.004 0.000 0.766 487 E HN 0.294 nan 8.360 nan 0.000 0.468 488 K N -1.107 119.298 120.400 0.008 0.000 2.287 488 K HA 0.078 4.398 4.320 -0.000 0.000 0.199 488 K C 1.263 177.868 176.600 0.008 0.000 1.061 488 K CA 0.657 56.947 56.287 0.006 0.000 0.976 488 K CB 0.868 33.368 32.500 0.001 0.000 0.898 488 K HN 0.199 nan 8.250 nan 0.000 0.492 489 G N 2.017 110.823 108.800 0.011 0.000 2.184 489 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 489 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 489 G C -0.144 174.762 174.900 0.011 0.000 0.975 489 G CA 0.647 45.755 45.100 0.013 0.000 0.642 489 G HN 0.379 nan 8.290 nan 0.000 0.536 490 E N -1.183 119.022 120.200 0.007 0.000 2.378 490 E HA 0.749 5.099 4.350 -0.000 0.000 0.265 490 E C -0.606 175.996 176.600 0.003 0.000 0.932 490 E CA -1.029 55.375 56.400 0.008 0.000 0.795 490 E CB 1.727 31.431 29.700 0.007 0.000 1.296 490 E HN 0.138 nan 8.360 nan 0.000 0.438 491 L N 1.870 123.097 121.223 0.006 0.000 2.345 491 L HA 0.290 4.630 4.340 -0.000 0.000 0.274 491 L C -0.058 176.813 176.870 0.002 0.000 0.999 491 L CA -0.639 54.200 54.840 -0.002 0.000 0.849 491 L CB 1.537 43.595 42.059 -0.001 0.000 1.220 491 L HN 0.509 nan 8.230 nan 0.000 0.422 492 S N 1.758 117.456 115.700 -0.004 0.000 2.593 492 S HA 0.240 4.710 4.470 -0.000 0.000 0.269 492 S C 1.048 175.647 174.600 -0.001 0.000 1.334 492 S CA -0.588 57.611 58.200 -0.001 0.000 1.015 492 S CB 1.250 64.448 63.200 -0.003 0.000 0.912 492 S HN 0.640 nan 8.310 nan 0.000 0.541 493 K N 0.728 121.131 120.400 0.005 0.000 2.089 493 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 493 K C 2.127 178.727 176.600 0.001 0.000 1.048 493 K CA 1.985 58.278 56.287 0.009 0.000 0.926 493 K CB -0.332 32.175 32.500 0.012 0.000 0.714 493 K HN 0.838 nan 8.250 nan 0.000 0.448 494 E N 1.476 121.674 120.200 -0.004 0.000 2.038 494 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 494 E C 1.821 178.408 176.600 -0.023 0.000 1.000 494 E CA 1.149 57.544 56.400 -0.009 0.000 0.803 494 E CB -0.270 29.426 29.700 -0.007 0.000 0.750 494 E HN 0.151 nan 8.360 nan 0.000 0.448 495 L N -0.155 121.050 121.223 -0.030 0.000 2.217 495 L HA 0.065 4.405 4.340 -0.000 0.000 0.211 495 L C 2.127 178.945 176.870 -0.087 0.000 1.107 495 L CA 1.138 55.946 54.840 -0.052 0.000 0.783 495 L CB -0.510 41.522 42.059 -0.044 0.000 0.919 495 L HN 0.347 nan 8.230 nan 0.000 0.442 496 L N -0.526 120.655 121.223 -0.069 0.000 2.056 496 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 496 L C 2.451 179.256 176.870 -0.108 0.000 1.078 496 L CA 1.881 56.662 54.840 -0.098 0.000 0.749 496 L CB -0.808 41.247 42.059 -0.007 0.000 0.901 496 L HN 0.244 nan 8.230 nan 0.000 0.433 497 A N -2.187 120.606 122.820 -0.045 0.000 1.968 497 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 497 A C 2.489 180.044 177.584 -0.048 0.000 1.169 497 A CA 1.581 53.606 52.037 -0.020 0.000 0.638 497 A CB -0.747 18.255 19.000 0.005 0.000 0.812 497 A HN 0.438 nan 8.150 nan 0.000 0.446 498 S N -0.924 114.732 115.700 -0.072 0.000 2.406 498 S HA -0.057 4.413 4.470 -0.000 0.000 0.228 498 S C 1.795 176.300 174.600 -0.160 0.000 1.020 498 S CA 1.125 59.275 58.200 -0.084 0.000 0.965 498 S CB -0.344 62.818 63.200 -0.064 0.000 0.798 498 S HN 0.450 nan 8.310 nan 0.000 0.488 499 L N 1.955 123.045 121.223 -0.221 0.000 2.141 499 L HA 0.142 4.482 4.340 -0.000 0.000 0.209 499 L C 2.115 178.804 176.870 -0.300 0.000 1.094 499 L CA 1.783 56.427 54.840 -0.326 0.000 0.763 499 L CB -0.581 41.168 42.059 -0.516 0.000 0.908 499 L HN 0.165 nan 8.230 nan 0.000 0.437 500 K N -1.385 118.887 120.400 -0.214 0.000 2.097 500 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 500 K C 2.120 178.720 176.600 0.000 0.000 1.050 500 K CA 1.373 57.649 56.287 -0.019 0.000 0.938 500 K CB 0.007 32.571 32.500 0.107 0.000 0.718 500 K HN 0.321 nan 8.250 nan 0.000 0.442 501 S N 0.327 116.015 115.700 -0.020 0.000 2.345 501 S HA -0.120 4.350 4.470 -0.000 0.000 0.220 501 S C 1.988 176.600 174.600 0.019 0.000 1.031 501 S CA 1.182 59.391 58.200 0.016 0.000 0.996 501 S CB -0.272 62.941 63.200 0.022 0.000 0.882 501 S HN 0.511 nan 8.310 nan 0.000 0.445 502 A N 1.147 123.901 122.820 -0.111 0.000 1.940 502 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 502 A C 2.292 180.021 177.584 0.241 0.000 1.176 502 A CA 2.205 54.168 52.037 -0.123 0.000 0.631 502 A CB -1.338 17.273 19.000 -0.648 0.000 0.814 502 A HN 0.516 nan 8.150 nan 0.000 0.446 503 T N -0.132 114.507 114.554 0.141 0.000 2.668 503 T HA -0.130 4.220 4.350 -0.000 0.000 0.262 503 T C 1.788 176.501 174.700 0.022 0.000 1.045 503 T CA 1.556 63.697 62.100 0.067 0.000 1.152 503 T CB -0.344 68.425 68.868 -0.164 0.000 0.864 503 T HN 0.648 nan 8.240 nan 0.000 0.419 504 E N 0.874 121.079 120.200 0.010 0.000 2.130 504 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 504 E C 2.461 179.116 176.600 0.093 0.000 0.998 504 E CA 1.219 57.674 56.400 0.092 0.000 0.806 504 E CB -0.189 29.589 29.700 0.129 0.000 0.738 504 E HN 0.304 nan 8.360 nan 0.000 0.459 505 S N -0.184 115.585 115.700 0.114 0.000 2.368 505 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 505 S C 1.673 176.291 174.600 0.031 0.000 1.029 505 S CA 0.853 59.115 58.200 0.104 0.000 0.988 505 S CB -0.238 63.077 63.200 0.191 0.000 0.838 505 S HN 0.322 nan 8.310 nan 0.000 0.462 506 F N 1.818 121.674 119.950 -0.157 0.000 2.146 506 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 506 F C 2.092 177.803 175.800 -0.149 0.000 1.096 506 F CA 1.196 59.005 58.000 -0.318 0.000 1.275 506 F CB -0.479 38.272 39.000 -0.415 0.000 1.008 506 F HN 0.030 nan 8.300 nan 0.000 0.480 507 V N 0.508 120.438 119.914 0.027 0.000 2.332 507 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 507 V C 2.724 178.780 176.094 -0.064 0.000 1.055 507 V CA 1.769 64.083 62.300 0.023 0.000 1.038 507 V CB -1.537 30.346 31.823 0.100 0.000 0.651 507 V HN 0.478 nan 8.190 nan 0.000 0.450 508 A N -0.528 122.262 122.820 -0.050 0.000 1.865 508 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 508 A C 1.871 179.394 177.584 -0.101 0.000 1.191 508 A CA 2.263 54.269 52.037 -0.052 0.000 0.623 508 A CB -0.815 18.174 19.000 -0.018 0.000 0.826 508 A HN 0.555 nan 8.150 nan 0.000 0.444 509 T N 0.000 114.454 114.554 -0.167 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.986 62.100 -0.191 0.000 1.349 509 T CB 0.000 68.727 68.868 -0.235 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658