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 1kv3_1_F DATA FIRST_RESID 15 DATA SEQUENCE ETNGRDHHTA DLCREKLVVR RGQPFWLTLX XXXXXXXXXX XSLTFSVVTG DATA SEQUENCE PAPSQEAGTK ARFPLRDAVE EGDWTATVVD QQDCTLSLQL TTPANAPIGL DATA SEQUENCE YRLSLEASXX XXXXXXXXGH FILLFNAWCP ADAVYLDSEE ERQEYVLTQQ DATA SEQUENCE GFIYQGSAKF IKNIPWNFGQ FQDGILDICL ILLDVNPKFL KNAGRDCSRR DATA SEQUENCE SSPVYVGRVG SGMVNCNDDQ GVLLGRWDNN YGDGVSPMSW IGSVDILRRW DATA SEQUENCE KNHGCQRVKY GQCWVFAAVA CTVLRCLGIP TRVVTNYNSA HDQNSNLLIE DATA SEQUENCE YFRNEFGEIQ GDKSEMIWNF HCWVESWMTR PDLQPGYEGW QALDPTPQEK DATA SEQUENCE SEGTYCCGPV PVRAIKEGDL STKYDAPFVF AEVNADVVDW IQQDDGSVHK DATA SEQUENCE SINRSLIVGL KISTKSVGRD EREDITHTYK YPEGSSEERE AFTRANHLNK DATA SEQUENCE LAEKEETGMA MRIRVGQSMN MGSDFDVFAH ITNNTAEEYV CRLLLCARTV DATA SEQUENCE SYNGILGPEC GTKYLLNLTL EPFSEKSVPL CILYEKYRDC LTESNLIKVR DATA SEQUENCE ALLVEPVINS YLLAERDLYL ENPEIKIRIL GEPKQKRKLV AEVSLQNPLP DATA SEQUENCE VALEGCTFTV EGAGLTEEQK TVEIPDPVEA GEEVKVRMDL VPLHMGLHKL DATA SEQUENCE VVNFESDKLK AVKGFRNVII GPA 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 15 E HA 0.000 nan 4.350 nan 0.000 0.291 15 E C 0.000 176.605 176.600 0.008 0.000 1.382 15 E CA 0.000 56.410 56.400 0.017 0.000 0.976 15 E CB 0.000 29.705 29.700 0.008 0.000 0.812 16 T N -0.915 113.642 114.554 0.005 0.000 3.155 16 T HA 0.046 4.396 4.350 0.000 0.000 0.264 16 T C 0.904 175.636 174.700 0.053 0.000 1.160 16 T CA 1.175 63.268 62.100 -0.012 0.000 1.075 16 T CB -0.520 68.297 68.868 -0.085 0.000 0.921 16 T HN 0.175 nan 8.240 nan 0.000 0.533 17 N N 1.270 120.025 118.700 0.093 0.000 2.290 17 N HA 0.076 4.816 4.740 0.000 0.000 0.179 17 N C 2.207 177.752 175.510 0.059 0.000 1.016 17 N CA 1.153 54.293 53.050 0.149 0.000 0.871 17 N CB -0.847 37.666 38.487 0.043 0.000 0.987 17 N HN 0.591 nan 8.380 nan 0.000 0.431 18 G N 1.954 110.743 108.800 -0.019 0.000 2.545 18 G HA2 -0.319 3.641 3.960 0.000 0.000 0.217 18 G HA3 -0.319 3.641 3.960 0.000 0.000 0.217 18 G C 1.509 176.359 174.900 -0.083 0.000 1.218 18 G CA 0.888 45.953 45.100 -0.057 0.000 0.787 18 G HN 0.308 nan 8.290 nan 0.000 0.571 19 R N 0.418 120.876 120.500 -0.069 0.000 2.139 19 R HA -0.130 4.210 4.340 0.000 0.000 0.243 19 R C 1.850 178.021 176.300 -0.215 0.000 1.145 19 R CA 2.024 58.060 56.100 -0.107 0.000 0.976 19 R CB -0.351 29.913 30.300 -0.060 0.000 0.866 19 R HN 0.278 nan 8.270 nan 0.000 0.449 20 D N -0.974 119.340 120.400 -0.143 0.000 2.183 20 D HA -0.046 4.594 4.640 0.000 0.000 0.205 20 D C 1.236 177.214 176.300 -0.536 0.000 0.962 20 D CA 1.012 54.880 54.000 -0.221 0.000 0.849 20 D CB -0.031 40.805 40.800 0.060 0.000 0.978 20 D HN 0.406 nan 8.370 nan 0.000 0.488 21 H N -0.736 118.072 119.070 -0.436 0.000 2.526 21 H HA 0.105 4.661 4.556 0.000 0.000 0.274 21 H C -0.226 174.799 175.328 -0.505 0.000 0.999 21 H CA 0.147 55.941 56.048 -0.423 0.000 1.157 21 H CB 0.101 29.735 29.762 -0.213 0.000 1.407 21 H HN 0.315 nan 8.280 nan 0.000 0.568 22 H N 0.281 119.144 119.070 -0.345 0.000 2.748 22 H HA -0.141 4.415 4.556 0.000 0.000 0.322 22 H C 0.371 175.540 175.328 -0.265 0.000 1.208 22 H CA 0.885 56.694 56.048 -0.399 0.000 1.151 22 H CB -1.859 27.359 29.762 -0.906 0.000 1.505 22 H HN 0.443 nan 8.280 nan 0.000 0.429 23 T N -4.471 109.991 114.554 -0.153 0.000 3.403 23 T HA 0.603 4.953 4.350 0.000 0.000 0.308 23 T C 1.741 176.329 174.700 -0.187 0.000 0.952 23 T CA 0.093 62.070 62.100 -0.204 0.000 0.970 23 T CB 0.449 69.249 68.868 -0.113 0.000 1.189 23 T HN 0.505 nan 8.240 nan 0.000 0.528 24 A N 2.642 125.379 122.820 -0.139 0.000 1.903 24 A HA -0.180 4.140 4.320 0.000 0.000 0.219 24 A C 2.016 179.574 177.584 -0.045 0.000 1.191 24 A CA 2.154 54.149 52.037 -0.070 0.000 0.638 24 A CB -0.812 18.172 19.000 -0.027 0.000 0.823 24 A HN 0.457 nan 8.150 nan 0.000 0.451 25 D N -0.903 119.454 120.400 -0.073 0.000 2.264 25 D HA -0.050 4.590 4.640 0.000 0.000 0.208 25 D C 1.587 177.890 176.300 0.004 0.000 0.966 25 D CA 0.649 54.666 54.000 0.029 0.000 0.864 25 D CB -0.128 40.697 40.800 0.042 0.000 0.933 25 D HN 0.293 nan 8.370 nan 0.000 0.499 26 L N 0.007 121.164 121.223 -0.111 0.000 2.209 26 L HA 0.036 4.376 4.340 0.000 0.000 0.207 26 L C 0.849 177.714 176.870 -0.009 0.000 1.094 26 L CA 0.467 55.279 54.840 -0.047 0.000 0.790 26 L CB -0.139 41.855 42.059 -0.108 0.000 0.932 26 L HN -0.028 nan 8.230 nan 0.000 0.447 27 C N 1.955 121.238 119.300 -0.029 0.000 2.896 27 C HA 0.288 4.748 4.460 0.000 0.000 0.499 27 C C 0.705 175.701 174.990 0.011 0.000 1.022 27 C CA -0.438 58.573 59.018 -0.011 0.000 1.127 27 C CB -2.254 25.468 27.740 -0.030 0.000 1.452 27 C HN 0.223 nan 8.230 nan 0.000 0.580 28 R N 1.262 121.777 120.500 0.025 0.000 2.518 28 R HA 0.259 4.599 4.340 0.000 0.000 0.296 28 R C -0.007 176.314 176.300 0.035 0.000 1.080 28 R CA -0.354 55.763 56.100 0.030 0.000 0.922 28 R CB 0.779 31.100 30.300 0.036 0.000 1.184 28 R HN 0.617 nan 8.270 nan 0.000 0.445 29 E N 1.519 121.740 120.200 0.035 0.000 2.694 29 E HA -0.255 4.095 4.350 0.000 0.000 0.272 29 E C -0.805 175.824 176.600 0.049 0.000 1.040 29 E CA 1.070 57.494 56.400 0.040 0.000 0.809 29 E CB -0.636 29.085 29.700 0.035 0.000 1.389 29 E HN 0.553 nan 8.360 nan 0.000 0.413 30 K N 0.121 120.554 120.400 0.055 0.000 2.806 30 K HA 0.221 4.541 4.320 0.000 0.000 0.293 30 K C -1.778 174.861 176.600 0.064 0.000 1.135 30 K CA -0.688 55.642 56.287 0.071 0.000 0.960 30 K CB 0.700 33.236 32.500 0.061 0.000 1.374 30 K HN 0.015 nan 8.250 nan 0.000 0.400 31 L N 4.104 125.381 121.223 0.089 0.000 2.371 31 L HA 0.661 5.001 4.340 0.000 0.000 0.272 31 L C -1.087 175.801 176.870 0.031 0.000 1.124 31 L CA 0.077 54.946 54.840 0.049 0.000 0.816 31 L CB 1.600 43.701 42.059 0.071 0.000 1.129 31 L HN 0.379 nan 8.230 nan 0.000 0.448 32 V N 6.963 126.844 119.914 -0.054 0.000 2.612 32 V HA 0.770 4.890 4.120 0.000 0.000 0.301 32 V C -1.043 174.940 176.094 -0.185 0.000 1.059 32 V CA 0.145 62.412 62.300 -0.054 0.000 0.886 32 V CB 1.892 33.717 31.823 0.002 0.000 1.007 32 V HN 0.903 nan 8.190 nan 0.000 0.426 33 V N 4.140 123.901 119.914 -0.255 0.000 3.156 33 V HA 0.770 4.890 4.120 0.000 0.000 0.311 33 V C -0.631 175.412 176.094 -0.086 0.000 1.208 33 V CA -1.289 60.765 62.300 -0.411 0.000 1.063 33 V CB 2.277 33.458 31.823 -1.070 0.000 1.098 33 V HN 0.931 nan 8.190 nan 0.000 0.452 34 R N 0.973 121.584 120.500 0.184 0.000 2.589 34 R HA 0.570 4.910 4.340 0.000 0.000 0.293 34 R C -0.181 176.189 176.300 0.116 0.000 0.963 34 R CA -0.860 55.358 56.100 0.196 0.000 0.905 34 R CB 1.966 32.434 30.300 0.279 0.000 1.144 34 R HN 0.961 nan 8.270 nan 0.000 0.459 35 R N 0.262 120.783 120.500 0.034 0.000 2.827 35 R HA 0.179 4.519 4.340 0.000 0.000 0.269 35 R C 0.551 176.826 176.300 -0.041 0.000 1.048 35 R CA 0.547 56.608 56.100 -0.065 0.000 1.173 35 R CB 0.061 30.301 30.300 -0.100 0.000 1.070 35 R HN 0.799 nan 8.270 nan 0.000 0.498 36 G N -0.278 108.442 108.800 -0.132 0.000 2.189 36 G HA2 -0.373 3.587 3.960 0.000 0.000 0.267 36 G HA3 -0.373 3.587 3.960 0.000 0.000 0.267 36 G C -0.065 174.780 174.900 -0.092 0.000 0.975 36 G CA 0.841 45.874 45.100 -0.113 0.000 0.644 36 G HN 0.841 nan 8.290 nan 0.000 0.537 37 Q N 0.441 120.202 119.800 -0.065 0.000 2.331 37 Q HA 0.572 4.912 4.340 0.000 0.000 0.272 37 Q C -2.792 173.225 176.000 0.028 0.000 1.062 37 Q CA -2.350 53.415 55.803 -0.064 0.000 0.806 37 Q CB 2.960 31.607 28.738 -0.152 0.000 1.312 37 Q HN 0.171 nan 8.270 nan 0.000 0.431 38 P HA 0.098 nan 4.420 nan 0.000 0.271 38 P C -1.194 176.158 177.300 0.087 0.000 1.216 38 P CA 0.175 63.221 63.100 -0.091 0.000 0.771 38 P CB 0.028 31.580 31.700 -0.246 0.000 0.864 39 F N 0.360 120.196 119.950 -0.190 0.000 2.529 39 F HA 0.587 5.114 4.527 0.000 0.000 0.320 39 F C -0.880 174.786 175.800 -0.223 0.000 1.118 39 F CA -1.868 56.049 58.000 -0.137 0.000 0.915 39 F CB 0.583 39.430 39.000 -0.254 0.000 1.161 39 F HN 0.185 nan 8.300 nan 0.000 0.445 40 W N 4.561 125.889 121.300 0.047 0.000 2.193 40 W HA 0.445 5.105 4.660 0.000 0.000 0.338 40 W C -0.703 175.780 176.519 -0.060 0.000 1.310 40 W CA -0.145 57.173 57.345 -0.045 0.000 1.243 40 W CB 0.637 30.101 29.460 0.006 0.000 1.165 40 W HN 0.535 nan 8.180 nan 0.000 0.566 41 L N 3.437 124.731 121.223 0.119 0.000 2.470 41 L HA 0.524 4.864 4.340 0.000 0.000 0.268 41 L C -0.652 176.282 176.870 0.108 0.000 0.964 41 L CA -0.561 54.314 54.840 0.058 0.000 0.839 41 L CB 1.921 43.902 42.059 -0.130 0.000 1.276 41 L HN 0.342 nan 8.230 nan 0.000 0.403 42 T N 5.396 120.019 114.554 0.114 0.000 2.841 42 T HA 0.790 5.140 4.350 0.000 0.000 0.283 42 T C -0.606 174.146 174.700 0.085 0.000 1.000 42 T CA -0.332 61.828 62.100 0.101 0.000 0.977 42 T CB 0.660 69.579 68.868 0.085 0.000 0.979 42 T HN 0.544 nan 8.240 nan 0.000 0.446 57 L N 0.534 121.677 121.223 -0.134 0.000 2.330 57 L HA 1.018 5.358 4.340 0.000 0.000 0.271 57 L C -0.172 176.526 176.870 -0.287 0.000 1.013 57 L CA -0.604 54.106 54.840 -0.217 0.000 0.816 57 L CB 0.421 42.315 42.059 -0.275 0.000 1.287 57 L HN 1.020 nan 8.230 nan 0.000 0.435 58 T N -1.367 112.987 114.554 -0.334 0.000 2.876 58 T HA 0.704 5.054 4.350 0.000 0.000 0.289 58 T C -0.451 173.948 174.700 -0.503 0.000 1.014 58 T CA -0.394 61.502 62.100 -0.340 0.000 0.986 58 T CB 1.331 70.096 68.868 -0.173 0.000 1.021 58 T HN 0.359 nan 8.240 nan 0.000 0.458 59 F N 1.769 121.427 119.950 -0.487 0.000 2.378 59 F HA 0.632 5.159 4.527 0.000 0.000 0.325 59 F C 1.091 176.566 175.800 -0.542 0.000 1.097 59 F CA -0.312 57.306 58.000 -0.638 0.000 1.079 59 F CB 1.792 40.107 39.000 -1.143 0.000 1.240 59 F HN 0.887 nan 8.300 nan 0.000 0.519 60 S N 0.980 116.656 115.700 -0.040 0.000 2.548 60 S HA 0.787 5.257 4.470 0.000 0.000 0.276 60 S C -1.234 173.430 174.600 0.106 0.000 1.129 60 S CA -0.859 57.359 58.200 0.029 0.000 0.931 60 S CB 1.243 64.441 63.200 -0.004 0.000 1.068 60 S HN 0.731 nan 8.310 nan 0.000 0.480 61 V N -0.142 119.811 119.914 0.066 0.000 2.656 61 V HA 0.981 5.101 4.120 0.000 0.000 0.307 61 V C -0.825 175.303 176.094 0.057 0.000 1.051 61 V CA -0.752 61.588 62.300 0.067 0.000 0.893 61 V CB 1.340 33.111 31.823 -0.087 0.000 0.999 61 V HN 0.849 nan 8.190 nan 0.000 0.426 62 V N 3.015 123.007 119.914 0.131 0.000 2.686 62 V HA 0.573 4.693 4.120 0.000 0.000 0.306 62 V C 0.569 176.648 176.094 -0.025 0.000 1.065 62 V CA 0.729 63.065 62.300 0.060 0.000 0.894 62 V CB 2.236 34.072 31.823 0.022 0.000 1.004 62 V HN 1.182 nan 8.190 nan 0.000 0.424 63 T N 2.777 117.221 114.554 -0.184 0.000 3.182 63 T HA 0.313 4.663 4.350 0.000 0.000 0.244 63 T C 0.976 175.556 174.700 -0.200 0.000 0.981 63 T CA 0.970 62.804 62.100 -0.442 0.000 1.182 63 T CB 0.028 68.241 68.868 -1.092 0.000 1.043 63 T HN 0.850 nan 8.240 nan 0.000 0.424 64 G N 1.663 110.400 108.800 -0.105 0.000 2.570 64 G HA2 0.402 4.362 3.960 0.000 0.000 0.276 64 G HA3 0.402 4.362 3.960 0.000 0.000 0.276 64 G C -1.576 173.333 174.900 0.015 0.000 1.346 64 G CA -0.300 44.798 45.100 -0.003 0.000 1.034 64 G HN 0.384 nan 8.290 nan 0.000 0.512 65 P HA 0.298 nan 4.420 nan 0.000 0.268 65 P C -0.199 177.087 177.300 -0.024 0.000 1.329 65 P CA 0.541 63.653 63.100 0.019 0.000 0.899 65 P CB 1.010 32.738 31.700 0.048 0.000 1.378 66 A N 0.986 123.785 122.820 -0.035 0.000 3.448 66 A HA 0.426 4.746 4.320 0.000 0.000 0.232 66 A C -2.518 175.049 177.584 -0.029 0.000 1.018 66 A CA -0.874 51.139 52.037 -0.040 0.000 0.996 66 A CB -0.076 18.884 19.000 -0.066 0.000 1.283 66 A HN -0.004 nan 8.150 nan 0.000 0.586 67 P HA 0.295 nan 4.420 nan 0.000 0.269 67 P C 0.035 177.331 177.300 -0.006 0.000 1.211 67 P CA 0.600 63.694 63.100 -0.010 0.000 0.781 67 P CB 1.100 32.795 31.700 -0.008 0.000 0.877 68 S N -0.244 115.458 115.700 0.003 0.000 2.537 68 S HA 0.132 4.602 4.470 0.000 0.000 0.271 68 S C 0.619 175.229 174.600 0.017 0.000 1.148 68 S CA -0.651 57.553 58.200 0.006 0.000 0.868 68 S CB 1.528 64.729 63.200 0.002 0.000 1.115 68 S HN 0.365 nan 8.310 nan 0.000 0.461 69 Q N 1.786 121.596 119.800 0.016 0.000 1.990 69 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 69 Q C 1.973 177.995 176.000 0.037 0.000 0.980 69 Q CA 2.150 57.967 55.803 0.023 0.000 0.832 69 Q CB -0.400 28.351 28.738 0.021 0.000 0.897 69 Q HN 0.951 nan 8.270 nan 0.000 0.427 70 E N -0.186 120.032 120.200 0.030 0.000 2.268 70 E HA -0.087 4.263 4.350 0.000 0.000 0.195 70 E C 1.281 177.903 176.600 0.036 0.000 0.995 70 E CA 1.077 57.497 56.400 0.033 0.000 0.836 70 E CB -0.080 29.633 29.700 0.023 0.000 0.763 70 E HN 0.188 nan 8.360 nan 0.000 0.491 71 A N 0.889 123.728 122.820 0.032 0.000 2.238 71 A HA 0.327 4.647 4.320 0.000 0.000 0.208 71 A C 1.921 179.540 177.584 0.059 0.000 1.177 71 A CA 0.900 52.955 52.037 0.030 0.000 0.804 71 A CB -0.647 18.360 19.000 0.013 0.000 0.823 71 A HN 0.497 nan 8.150 nan 0.000 0.482 72 G N -1.190 107.662 108.800 0.087 0.000 2.220 72 G HA2 -0.374 3.586 3.960 0.000 0.000 0.269 72 G HA3 -0.374 3.586 3.960 0.000 0.000 0.269 72 G C 1.145 176.162 174.900 0.195 0.000 0.977 72 G CA 1.452 46.644 45.100 0.154 0.000 0.634 72 G HN 1.019 nan 8.290 nan 0.000 0.539 73 T N -0.675 113.951 114.554 0.120 0.000 3.148 73 T HA 0.331 4.681 4.350 0.000 0.000 0.253 73 T C 0.704 175.457 174.700 0.087 0.000 1.134 73 T CA 1.670 63.833 62.100 0.105 0.000 1.051 73 T CB -0.213 68.674 68.868 0.032 0.000 0.959 73 T HN 0.658 nan 8.240 nan 0.000 0.525 74 K N 0.220 120.655 120.400 0.057 0.000 2.525 74 K HA 0.648 4.968 4.320 0.000 0.000 0.254 74 K C -2.041 174.500 176.600 -0.099 0.000 0.934 74 K CA -0.798 55.483 56.287 -0.010 0.000 0.802 74 K CB 2.010 34.508 32.500 -0.003 0.000 1.295 74 K HN 0.043 nan 8.250 nan 0.000 0.433 75 A N 3.013 125.700 122.820 -0.222 0.000 2.488 75 A HA 0.657 4.977 4.320 0.000 0.000 0.298 75 A C -1.687 175.886 177.584 -0.019 0.000 1.044 75 A CA -0.758 51.113 52.037 -0.276 0.000 0.693 75 A CB 1.792 20.236 19.000 -0.925 0.000 1.272 75 A HN 0.669 nan 8.150 nan 0.000 0.402 76 R N 1.355 121.918 120.500 0.105 0.000 2.437 76 R HA 0.801 5.141 4.340 0.000 0.000 0.310 76 R C -1.430 175.073 176.300 0.338 0.000 0.955 76 R CA -0.695 55.504 56.100 0.165 0.000 0.851 76 R CB 0.456 30.794 30.300 0.063 0.000 1.161 76 R HN 0.903 nan 8.270 nan 0.000 0.446 77 F N 2.804 122.785 119.950 0.051 0.000 2.628 77 F HA 0.687 5.214 4.527 0.000 0.000 0.309 77 F C -2.772 173.106 175.800 0.131 0.000 1.108 77 F CA -2.505 55.552 58.000 0.095 0.000 0.971 77 F CB 1.943 41.019 39.000 0.127 0.000 1.279 77 F HN 0.375 nan 8.300 nan 0.000 0.441 78 P HA 0.122 nan 4.420 nan 0.000 0.277 78 P C -0.605 176.761 177.300 0.110 0.000 1.240 78 P CA -0.390 62.742 63.100 0.053 0.000 0.798 78 P CB 2.396 34.132 31.700 0.061 0.000 0.979 79 L N 2.676 123.932 121.223 0.055 0.000 2.437 79 L HA 0.101 4.441 4.340 0.000 0.000 0.243 79 L C 1.208 178.124 176.870 0.076 0.000 1.346 79 L CA -0.449 54.461 54.840 0.116 0.000 1.233 79 L CB -0.369 41.729 42.059 0.064 0.000 1.436 79 L HN 0.331 nan 8.230 nan 0.000 0.416 80 R N 0.522 121.075 120.500 0.088 0.000 3.151 80 R HA -0.039 4.301 4.340 0.000 0.000 0.283 80 R C 0.469 176.794 176.300 0.041 0.000 1.140 80 R CA 0.030 56.164 56.100 0.057 0.000 1.162 80 R CB 0.307 30.644 30.300 0.062 0.000 1.121 80 R HN 0.472 nan 8.270 nan 0.000 0.552 81 D N -1.850 118.566 120.400 0.027 0.000 2.449 81 D HA 0.177 4.817 4.640 0.000 0.000 0.255 81 D C 0.724 177.030 176.300 0.009 0.000 1.121 81 D CA 0.379 54.389 54.000 0.017 0.000 0.830 81 D CB 0.696 41.505 40.800 0.015 0.000 1.280 81 D HN 0.435 nan 8.370 nan 0.000 0.522 82 A N 0.301 123.127 122.820 0.011 0.000 2.353 82 A HA 0.503 4.823 4.320 0.000 0.000 0.218 82 A C 1.468 179.051 177.584 -0.002 0.000 1.760 82 A CA 1.542 53.582 52.037 0.004 0.000 0.638 82 A CB -0.008 18.996 19.000 0.007 0.000 1.280 82 A HN 0.121 nan 8.150 nan 0.000 0.511 83 V N -2.751 117.165 119.914 0.002 0.000 6.977 83 V HA 0.235 4.355 4.120 0.000 0.000 0.059 83 V C -1.056 175.039 176.094 0.002 0.000 0.824 83 V CA 1.239 63.535 62.300 -0.007 0.000 0.593 83 V CB -0.593 31.215 31.823 -0.025 0.000 1.032 83 V HN 0.927 nan 8.190 nan 0.000 0.734 84 E N 1.750 121.947 120.200 -0.006 0.000 2.302 84 E HA -0.168 4.182 4.350 0.000 0.000 0.186 84 E C 0.670 177.267 176.600 -0.006 0.000 1.444 84 E CA 0.946 57.344 56.400 -0.002 0.000 0.671 84 E CB -0.923 28.783 29.700 0.009 0.000 1.122 84 E HN 0.613 nan 8.360 nan 0.000 0.366 85 E N 0.258 120.442 120.200 -0.026 0.000 1.907 85 E HA -0.284 4.066 4.350 0.000 0.000 0.234 85 E C 1.838 178.416 176.600 -0.036 0.000 0.881 85 E CA 1.780 58.153 56.400 -0.046 0.000 0.985 85 E CB -0.944 28.719 29.700 -0.061 0.000 0.795 85 E HN 0.773 nan 8.360 nan 0.000 0.595 86 G N 1.024 109.801 108.800 -0.038 0.000 3.879 86 G HA2 -0.335 3.625 3.960 0.000 0.000 0.318 86 G HA3 -0.335 3.625 3.960 0.000 0.000 0.318 86 G C 0.551 175.425 174.900 -0.044 0.000 1.344 86 G CA 1.081 46.166 45.100 -0.024 0.000 1.024 86 G HN 0.430 nan 8.290 nan 0.000 0.681 87 D N -0.549 119.836 120.400 -0.025 0.000 3.443 87 D HA 0.466 5.106 4.640 0.000 0.000 0.199 87 D C 0.152 176.366 176.300 -0.143 0.000 1.137 87 D CA -0.271 53.702 54.000 -0.046 0.000 1.258 87 D CB -0.328 40.552 40.800 0.132 0.000 1.001 87 D HN 0.369 nan 8.370 nan 0.000 0.320 88 W N 1.164 122.273 121.300 -0.319 0.000 2.238 88 W HA 0.421 5.081 4.660 0.000 0.000 0.321 88 W C 0.540 176.688 176.519 -0.617 0.000 1.293 88 W CA -0.165 56.786 57.345 -0.657 0.000 1.204 88 W CB 0.142 28.915 29.460 -1.145 0.000 1.167 88 W HN 0.055 nan 8.180 nan 0.000 0.553 89 T N -0.690 113.683 114.554 -0.301 0.000 2.883 89 T HA 0.814 5.164 4.350 0.000 0.000 0.301 89 T C -0.916 173.903 174.700 0.198 0.000 1.158 89 T CA -1.034 61.090 62.100 0.040 0.000 1.007 89 T CB 1.980 70.839 68.868 -0.015 0.000 1.186 89 T HN 0.788 nan 8.240 nan 0.000 0.499 90 A N 1.862 124.862 122.820 0.302 0.000 3.266 90 A HA 0.602 4.922 4.320 0.000 0.000 0.310 90 A C 0.189 177.816 177.584 0.071 0.000 1.066 90 A CA -0.702 51.424 52.037 0.149 0.000 0.839 90 A CB -0.057 19.046 19.000 0.171 0.000 1.192 90 A HN 0.849 nan 8.150 nan 0.000 0.496 91 T N 0.721 115.269 114.554 -0.010 0.000 2.919 91 T HA 0.337 4.687 4.350 0.000 0.000 0.302 91 T C 0.359 175.038 174.700 -0.035 0.000 1.031 91 T CA 0.201 62.290 62.100 -0.018 0.000 1.127 91 T CB 1.483 70.321 68.868 -0.050 0.000 0.952 91 T HN 0.633 nan 8.240 nan 0.000 0.540 92 V N 4.066 123.980 119.914 0.000 0.000 2.644 92 V HA 0.368 4.488 4.120 0.000 0.000 0.295 92 V C 0.382 176.482 176.094 0.011 0.000 1.053 92 V CA 0.070 62.378 62.300 0.014 0.000 0.987 92 V CB 1.441 33.286 31.823 0.036 0.000 1.006 92 V HN 0.791 nan 8.190 nan 0.000 0.472 93 V N 4.160 124.097 119.914 0.038 0.000 2.996 93 V HA 0.362 4.482 4.120 0.000 0.000 0.235 93 V C 0.201 176.349 176.094 0.089 0.000 1.205 93 V CA 0.662 63.004 62.300 0.070 0.000 1.225 93 V CB 0.730 32.628 31.823 0.125 0.000 0.995 93 V HN 0.920 nan 8.190 nan 0.000 0.484 94 D N -1.136 119.325 120.400 0.101 0.000 2.552 94 D HA 0.507 5.147 4.640 0.000 0.000 0.239 94 D C -0.820 175.516 176.300 0.060 0.000 1.139 94 D CA -0.343 53.703 54.000 0.077 0.000 0.914 94 D CB 2.130 42.981 40.800 0.084 0.000 1.461 94 D HN 0.054 nan 8.370 nan 0.000 0.462 95 Q N 1.287 121.113 119.800 0.042 0.000 3.316 95 Q HA 0.113 4.453 4.340 0.000 0.000 0.295 95 Q C -0.792 175.223 176.000 0.024 0.000 0.805 95 Q CA -0.377 55.447 55.803 0.033 0.000 0.914 95 Q CB 1.298 30.052 28.738 0.027 0.000 1.514 95 Q HN 0.308 nan 8.270 nan 0.000 0.387 96 Q N 1.707 121.520 119.800 0.022 0.000 2.667 96 Q HA -0.138 4.202 4.340 0.000 0.000 0.185 96 Q C 0.076 176.082 176.000 0.011 0.000 1.117 96 Q CA 0.920 56.731 55.803 0.014 0.000 0.937 96 Q CB -0.402 28.342 28.738 0.009 0.000 1.710 96 Q HN 0.585 nan 8.270 nan 0.000 0.447 97 D N -1.289 119.118 120.400 0.011 0.000 4.331 97 D HA -0.309 4.331 4.640 0.000 0.000 0.234 97 D C 0.844 177.149 176.300 0.009 0.000 1.221 97 D CA 2.465 56.470 54.000 0.009 0.000 2.279 97 D CB -0.962 39.842 40.800 0.006 0.000 1.210 97 D HN 0.600 nan 8.370 nan 0.000 0.417 98 C N 0.850 120.155 119.300 0.009 0.000 2.634 98 C HA 0.224 4.684 4.460 0.000 0.000 0.268 98 C C 1.461 176.459 174.990 0.014 0.000 1.322 98 C CA 0.505 59.528 59.018 0.009 0.000 1.737 98 C CB -0.608 27.137 27.740 0.008 0.000 1.976 98 C HN 0.630 nan 8.230 nan 0.000 0.547 99 T N -0.854 113.711 114.554 0.017 0.000 2.938 99 T HA 0.713 5.063 4.350 0.000 0.000 0.285 99 T C -1.093 173.627 174.700 0.033 0.000 1.028 99 T CA -0.520 61.595 62.100 0.025 0.000 1.005 99 T CB 1.864 70.746 68.868 0.024 0.000 1.157 99 T HN 0.128 nan 8.240 nan 0.000 0.550 100 L N 0.644 121.894 121.223 0.045 0.000 2.596 100 L HA 0.607 4.947 4.340 0.000 0.000 0.265 100 L C -1.111 175.807 176.870 0.081 0.000 0.962 100 L CA -0.243 54.632 54.840 0.057 0.000 0.891 100 L CB 2.058 44.150 42.059 0.054 0.000 1.248 100 L HN 0.791 nan 8.230 nan 0.000 0.410 101 S N 5.970 121.729 115.700 0.098 0.000 2.429 101 S HA 0.860 5.330 4.470 0.000 0.000 0.302 101 S C -0.460 174.226 174.600 0.143 0.000 1.115 101 S CA -0.571 57.722 58.200 0.155 0.000 1.095 101 S CB 0.671 63.993 63.200 0.203 0.000 0.987 101 S HN 0.672 nan 8.310 nan 0.000 0.474 102 L N 1.335 122.618 121.223 0.101 0.000 2.322 102 L HA 0.714 5.054 4.340 0.000 0.000 0.252 102 L C -1.116 175.643 176.870 -0.184 0.000 1.055 102 L CA -1.103 53.725 54.840 -0.020 0.000 0.849 102 L CB 1.749 43.805 42.059 -0.004 0.000 1.446 102 L HN 0.347 nan 8.230 nan 0.000 0.416 103 Q N 1.600 121.214 119.800 -0.310 0.000 2.347 103 Q HA 0.516 4.856 4.340 0.000 0.000 0.265 103 Q C -1.586 174.128 176.000 -0.476 0.000 1.024 103 Q CA -0.715 54.786 55.803 -0.502 0.000 0.731 103 Q CB 2.483 30.866 28.738 -0.592 0.000 1.245 103 Q HN 0.446 nan 8.270 nan 0.000 0.472 104 L N 1.709 122.500 121.223 -0.720 0.000 2.371 104 L HA 0.405 4.745 4.340 0.000 0.000 0.272 104 L C 0.259 176.813 176.870 -0.527 0.000 1.124 104 L CA 0.501 54.959 54.840 -0.638 0.000 0.816 104 L CB 1.425 42.911 42.059 -0.955 0.000 1.129 104 L HN 0.448 nan 8.230 nan 0.000 0.448 105 T N 0.931 115.294 114.554 -0.318 0.000 2.881 105 T HA 0.483 4.833 4.350 0.000 0.000 0.291 105 T C -0.110 174.339 174.700 -0.419 0.000 0.990 105 T CA -0.754 61.178 62.100 -0.281 0.000 0.976 105 T CB 1.225 69.948 68.868 -0.241 0.000 0.970 105 T HN 0.716 nan 8.240 nan 0.000 0.438 106 T N 2.131 116.385 114.554 -0.500 0.000 2.918 106 T HA 0.633 4.983 4.350 0.000 0.000 0.283 106 T C -2.681 171.559 174.700 -0.767 0.000 1.001 106 T CA -2.101 59.378 62.100 -1.034 0.000 1.041 106 T CB 1.033 69.356 68.868 -0.909 0.000 1.028 106 T HN 0.229 nan 8.240 nan 0.000 0.511 107 P HA 0.294 nan 4.420 nan 0.000 0.277 107 P C 0.534 177.658 177.300 -0.293 0.000 1.240 107 P CA -0.563 62.255 63.100 -0.469 0.000 0.798 107 P CB 0.773 32.234 31.700 -0.398 0.000 0.979 108 A N 2.693 125.410 122.820 -0.171 0.000 2.178 108 A HA -0.162 4.158 4.320 0.000 0.000 0.218 108 A C 1.185 178.747 177.584 -0.037 0.000 1.157 108 A CA 1.393 53.378 52.037 -0.085 0.000 0.689 108 A CB -1.123 17.843 19.000 -0.056 0.000 0.787 108 A HN 0.721 nan 8.150 nan 0.000 0.465 109 N N -0.860 117.810 118.700 -0.051 0.000 2.291 109 N HA 0.362 5.102 4.740 0.000 0.000 0.244 109 N C 0.011 175.522 175.510 0.003 0.000 1.216 109 N CA 0.347 53.400 53.050 0.004 0.000 0.879 109 N CB -0.519 37.984 38.487 0.028 0.000 1.167 109 N HN 0.222 nan 8.380 nan 0.000 0.515 110 A N 1.982 124.769 122.820 -0.054 0.000 2.511 110 A HA 0.355 4.675 4.320 0.000 0.000 0.242 110 A C -2.050 175.580 177.584 0.078 0.000 1.069 110 A CA -0.761 51.291 52.037 0.025 0.000 0.763 110 A CB -0.182 18.730 19.000 -0.147 0.000 1.001 110 A HN 0.257 nan 8.150 nan 0.000 0.498 111 P HA 0.138 nan 4.420 nan 0.000 0.271 111 P C -0.388 176.994 177.300 0.136 0.000 1.218 111 P CA -0.106 63.066 63.100 0.119 0.000 0.780 111 P CB 0.504 32.288 31.700 0.140 0.000 0.901 112 I N 1.153 121.705 120.570 -0.029 0.000 2.575 112 I HA 0.524 4.694 4.170 0.000 0.000 0.285 112 I C 1.410 177.552 176.117 0.042 0.000 1.085 112 I CA 0.748 62.021 61.300 -0.044 0.000 1.403 112 I CB -0.211 37.659 38.000 -0.216 0.000 1.409 112 I HN 0.718 nan 8.210 nan 0.000 0.557 113 G N 5.382 114.233 108.800 0.085 0.000 2.350 113 G HA2 0.064 4.024 3.960 0.000 0.000 0.282 113 G HA3 0.064 4.024 3.960 0.000 0.000 0.282 113 G C -1.587 173.313 174.900 0.000 0.000 1.314 113 G CA -0.978 44.123 45.100 0.001 0.000 0.915 113 G HN 0.497 nan 8.290 nan 0.000 0.499 114 L N 0.559 121.723 121.223 -0.097 0.000 2.319 114 L HA 0.638 4.979 4.340 0.000 0.000 0.280 114 L C -0.786 175.945 176.870 -0.231 0.000 1.099 114 L CA -0.615 54.169 54.840 -0.093 0.000 0.828 114 L CB 0.467 42.469 42.059 -0.096 0.000 1.150 114 L HN 0.583 nan 8.230 nan 0.000 0.442 115 Y N 3.815 123.956 120.300 -0.266 0.000 2.485 115 Y HA 0.466 5.016 4.550 0.000 0.000 0.345 115 Y C -0.117 175.560 175.900 -0.373 0.000 0.998 115 Y CA -0.813 57.039 58.100 -0.413 0.000 1.059 115 Y CB 1.784 39.723 38.460 -0.868 0.000 1.234 115 Y HN 0.430 nan 8.280 nan 0.000 0.461 116 R N 2.700 123.194 120.500 -0.011 0.000 2.255 116 R HA 0.475 4.815 4.340 0.000 0.000 0.326 116 R C -1.619 174.661 176.300 -0.034 0.000 0.986 116 R CA -1.002 55.065 56.100 -0.055 0.000 0.847 116 R CB 1.460 31.769 30.300 0.014 0.000 1.111 116 R HN 0.424 nan 8.270 nan 0.000 0.452 117 L N 1.859 123.060 121.223 -0.035 0.000 2.298 117 L HA 0.440 4.780 4.340 0.000 0.000 0.284 117 L C -0.845 176.091 176.870 0.110 0.000 1.013 117 L CA 0.192 55.137 54.840 0.174 0.000 0.824 117 L CB 1.742 44.055 42.059 0.422 0.000 1.221 117 L HN 0.489 nan 8.230 nan 0.000 0.418 118 S N 4.727 120.502 115.700 0.124 0.000 2.546 118 S HA 0.836 5.306 4.470 0.000 0.000 0.274 118 S C -1.361 173.264 174.600 0.041 0.000 1.121 118 S CA -0.683 57.557 58.200 0.067 0.000 0.887 118 S CB 1.341 64.543 63.200 0.004 0.000 1.094 118 S HN 0.633 nan 8.310 nan 0.000 0.474 119 L N 1.085 122.267 121.223 -0.069 0.000 2.301 119 L HA 0.800 5.140 4.340 0.000 0.000 0.264 119 L C -0.426 176.304 176.870 -0.232 0.000 1.016 119 L CA -0.705 53.951 54.840 -0.306 0.000 0.821 119 L CB 0.456 42.062 42.059 -0.754 0.000 1.346 119 L HN 0.661 nan 8.230 nan 0.000 0.429 120 E N 0.556 120.596 120.200 -0.265 0.000 2.202 120 E HA 0.687 5.037 4.350 0.000 0.000 0.272 120 E C 0.080 176.574 176.600 -0.177 0.000 0.951 120 E CA -0.723 55.571 56.400 -0.177 0.000 0.813 120 E CB 2.181 31.796 29.700 -0.141 0.000 1.151 120 E HN 0.871 nan 8.360 nan 0.000 0.398 121 A N 2.389 125.135 122.820 -0.122 0.000 3.370 121 A HA 0.248 4.568 4.320 0.000 0.000 0.144 121 A C 0.604 178.131 177.584 -0.096 0.000 1.018 121 A CA 0.646 52.622 52.037 -0.102 0.000 1.131 121 A CB -0.012 18.945 19.000 -0.071 0.000 1.121 121 A HN 0.467 nan 8.150 nan 0.000 0.590 134 H N -0.810 118.329 119.070 0.115 0.000 2.895 134 H HA 0.625 5.181 4.556 0.000 0.000 0.373 134 H C -1.219 174.188 175.328 0.130 0.000 1.174 134 H CA -0.412 55.656 56.048 0.033 0.000 1.144 134 H CB 2.318 32.061 29.762 -0.033 0.000 1.793 134 H HN 0.606 nan 8.280 nan 0.000 0.551 135 F N -0.478 119.616 119.950 0.241 0.000 2.620 135 F HA 0.712 5.239 4.527 0.000 0.000 0.320 135 F C -0.993 174.892 175.800 0.143 0.000 1.069 135 F CA -1.284 56.772 58.000 0.094 0.000 0.953 135 F CB 1.348 40.306 39.000 -0.070 0.000 1.322 135 F HN 0.239 nan 8.300 nan 0.000 0.479 136 I N 2.840 123.577 120.570 0.278 0.000 2.389 136 I HA 0.318 4.488 4.170 0.000 0.000 0.288 136 I C -1.385 174.880 176.117 0.246 0.000 0.999 136 I CA -0.837 60.594 61.300 0.218 0.000 1.129 136 I CB 1.883 39.956 38.000 0.122 0.000 1.288 136 I HN 0.486 nan 8.210 nan 0.000 0.444 137 L N 8.149 129.575 121.223 0.338 0.000 2.257 137 L HA 0.533 4.873 4.340 0.000 0.000 0.290 137 L C -0.623 176.321 176.870 0.124 0.000 1.044 137 L CA 0.071 55.045 54.840 0.223 0.000 0.810 137 L CB 0.683 42.928 42.059 0.310 0.000 1.193 137 L HN 0.441 nan 8.230 nan 0.000 0.425 138 L N 3.531 124.809 121.223 0.092 0.000 2.335 138 L HA 0.523 4.863 4.340 0.000 0.000 0.268 138 L C -0.281 176.653 176.870 0.106 0.000 1.016 138 L CA -0.954 53.955 54.840 0.116 0.000 0.805 138 L CB 0.934 43.124 42.059 0.218 0.000 1.311 138 L HN 0.308 nan 8.230 nan 0.000 0.456 139 F N 0.406 120.467 119.950 0.185 0.000 2.490 139 F HA 0.070 4.597 4.527 0.000 0.000 0.336 139 F C 0.734 176.673 175.800 0.232 0.000 1.178 139 F CA 0.226 58.335 58.000 0.181 0.000 1.301 139 F CB 0.205 39.305 39.000 0.166 0.000 1.175 139 F HN 0.370 nan 8.300 nan 0.000 0.593 140 N N 1.081 120.041 118.700 0.435 0.000 2.626 140 N HA 0.359 5.099 4.740 0.000 0.000 0.249 140 N C 0.235 176.000 175.510 0.425 0.000 1.021 140 N CA -0.163 53.151 53.050 0.439 0.000 0.886 140 N CB 1.276 39.956 38.487 0.323 0.000 1.149 140 N HN 0.612 nan 8.380 nan 0.000 0.517 141 A N 2.929 125.970 122.820 0.368 0.000 2.178 141 A HA -0.043 4.277 4.320 0.000 0.000 0.218 141 A C 1.236 178.827 177.584 0.013 0.000 1.157 141 A CA 0.624 52.679 52.037 0.029 0.000 0.689 141 A CB -0.402 18.376 19.000 -0.370 0.000 0.787 141 A HN 0.766 nan 8.150 nan 0.000 0.465 142 W N -1.755 119.673 121.300 0.214 0.000 3.077 142 W HA 0.162 4.822 4.660 0.000 0.000 0.266 142 W C 0.675 177.365 176.519 0.285 0.000 1.300 142 W CA -0.447 57.044 57.345 0.244 0.000 1.586 142 W CB -0.363 29.204 29.460 0.178 0.000 1.103 142 W HN 0.291 nan 8.180 nan 0.000 0.652 143 C N 3.368 122.913 119.300 0.409 0.000 2.281 143 C HA 0.243 4.703 4.460 0.000 0.000 0.336 143 C C -0.650 174.221 174.990 -0.197 0.000 1.217 143 C CA -1.977 57.107 59.018 0.109 0.000 1.730 143 C CB 0.245 28.038 27.740 0.088 0.000 2.338 143 C HN -0.074 nan 8.230 nan 0.000 0.521 144 P HA -0.151 nan 4.420 nan 0.000 0.218 144 P C 1.214 178.219 177.300 -0.492 0.000 1.147 144 P CA 2.300 64.653 63.100 -1.245 0.000 0.827 144 P CB 0.164 31.416 31.700 -0.746 0.000 0.778 145 A N -1.775 120.903 122.820 -0.237 0.000 2.147 145 A HA -0.011 4.309 4.320 0.000 0.000 0.211 145 A C 1.220 178.793 177.584 -0.019 0.000 1.160 145 A CA 0.128 52.103 52.037 -0.103 0.000 0.781 145 A CB -0.684 18.264 19.000 -0.087 0.000 0.842 145 A HN 0.083 nan 8.150 nan 0.000 0.475 146 D N -0.051 120.366 120.400 0.028 0.000 2.399 146 D HA 0.324 4.964 4.640 0.000 0.000 0.241 146 D C 1.327 177.711 176.300 0.140 0.000 1.133 146 D CA 0.643 54.713 54.000 0.116 0.000 0.890 146 D CB 1.323 42.238 40.800 0.191 0.000 1.201 146 D HN 0.104 nan 8.370 nan 0.000 0.432 147 A N 2.751 125.656 122.820 0.142 0.000 2.067 147 A HA -0.110 4.210 4.320 0.000 0.000 0.219 147 A C 1.797 179.415 177.584 0.057 0.000 1.158 147 A CA 1.527 53.617 52.037 0.088 0.000 0.661 147 A CB -0.375 18.679 19.000 0.090 0.000 0.801 147 A HN 0.550 nan 8.150 nan 0.000 0.452 148 V N -3.890 116.099 119.914 0.125 0.000 3.421 148 V HA 0.274 4.394 4.120 0.000 0.000 0.316 148 V C 0.517 176.747 176.094 0.227 0.000 1.347 148 V CA -0.803 61.561 62.300 0.108 0.000 1.183 148 V CB -1.674 30.181 31.823 0.053 0.000 1.092 148 V HN 0.359 nan 8.190 nan 0.000 0.433 149 Y N 1.666 122.031 120.300 0.108 0.000 2.717 149 Y HA 0.375 4.925 4.550 0.000 0.000 0.330 149 Y C -0.014 175.978 175.900 0.153 0.000 1.217 149 Y CA -0.534 57.624 58.100 0.097 0.000 1.506 149 Y CB 0.374 38.881 38.460 0.077 0.000 1.268 149 Y HN 0.324 nan 8.280 nan 0.000 0.561 150 L N 7.532 128.435 121.223 -0.535 0.000 2.298 150 L HA 0.140 4.480 4.340 0.000 0.000 0.284 150 L C 1.323 177.557 176.870 -1.060 0.000 1.013 150 L CA -0.357 54.059 54.840 -0.707 0.000 0.824 150 L CB 1.103 42.772 42.059 -0.649 0.000 1.221 150 L HN 0.798 nan 8.230 nan 0.000 0.418 151 D N 1.727 121.612 120.400 -0.858 0.000 2.239 151 D HA -0.158 4.482 4.640 0.000 0.000 0.202 151 D C 0.441 176.523 176.300 -0.363 0.000 0.993 151 D CA 1.106 54.758 54.000 -0.580 0.000 0.874 151 D CB 0.541 41.186 40.800 -0.258 0.000 0.922 151 D HN 0.481 nan 8.370 nan 0.000 0.464 152 S N -1.050 114.428 115.700 -0.369 0.000 2.536 152 S HA 0.280 4.750 4.470 0.000 0.000 0.287 152 S C 0.640 175.086 174.600 -0.256 0.000 1.101 152 S CA -0.874 57.182 58.200 -0.239 0.000 0.950 152 S CB 2.411 65.504 63.200 -0.179 0.000 1.056 152 S HN -0.130 nan 8.310 nan 0.000 0.481 153 E N 2.084 122.194 120.200 -0.151 0.000 2.038 153 E HA -0.212 4.138 4.350 0.000 0.000 0.195 153 E C 1.895 178.409 176.600 -0.144 0.000 1.000 153 E CA 2.188 58.520 56.400 -0.113 0.000 0.803 153 E CB -0.360 29.343 29.700 0.005 0.000 0.750 153 E HN 0.979 nan 8.360 nan 0.000 0.448 154 E N 0.439 120.562 120.200 -0.129 0.000 2.118 154 E HA -0.209 4.141 4.350 0.000 0.000 0.195 154 E C 1.823 178.270 176.600 -0.254 0.000 0.992 154 E CA 1.349 57.660 56.400 -0.147 0.000 0.804 154 E CB -0.322 29.308 29.700 -0.116 0.000 0.741 154 E HN 0.315 nan 8.360 nan 0.000 0.458 155 E N 0.647 120.669 120.200 -0.296 0.000 2.152 155 E HA -0.058 4.292 4.350 0.000 0.000 0.192 155 E C 2.243 178.615 176.600 -0.380 0.000 0.983 155 E CA 0.498 56.660 56.400 -0.397 0.000 0.818 155 E CB 0.014 29.566 29.700 -0.247 0.000 0.758 155 E HN 0.282 nan 8.360 nan 0.000 0.467 156 R N 0.563 120.825 120.500 -0.398 0.000 2.090 156 R HA -0.060 4.280 4.340 0.000 0.000 0.228 156 R C 2.379 178.505 176.300 -0.290 0.000 1.110 156 R CA 0.745 56.537 56.100 -0.513 0.000 0.973 156 R CB -0.065 29.645 30.300 -0.983 0.000 0.869 156 R HN 0.126 nan 8.270 nan 0.000 0.440 157 Q N 0.674 120.366 119.800 -0.180 0.000 2.050 157 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 157 Q C 1.961 177.908 176.000 -0.089 0.000 0.980 157 Q CA 1.565 57.345 55.803 -0.037 0.000 0.840 157 Q CB -0.052 28.670 28.738 -0.027 0.000 0.898 157 Q HN 0.260 nan 8.270 nan 0.000 0.424 158 E N -0.029 120.014 120.200 -0.261 0.000 2.016 158 E HA -0.144 4.206 4.350 0.000 0.000 0.190 158 E C 1.484 177.939 176.600 -0.243 0.000 0.985 158 E CA 1.222 57.413 56.400 -0.348 0.000 0.802 158 E CB -0.249 29.050 29.700 -0.668 0.000 0.762 158 E HN 0.331 nan 8.360 nan 0.000 0.448 159 Y N -0.743 119.517 120.300 -0.067 0.000 2.583 159 Y HA 0.124 4.674 4.550 0.000 0.000 0.293 159 Y C 1.695 177.556 175.900 -0.065 0.000 1.157 159 Y CA 0.272 58.340 58.100 -0.054 0.000 1.315 159 Y CB 0.192 38.669 38.460 0.028 0.000 1.021 159 Y HN -0.018 nan 8.280 nan 0.000 0.536 160 V N -2.036 117.920 119.914 0.070 0.000 3.102 160 V HA -0.008 4.112 4.120 0.000 0.000 0.225 160 V C 1.780 177.992 176.094 0.197 0.000 1.301 160 V CA 0.310 62.683 62.300 0.122 0.000 1.308 160 V CB -0.109 31.797 31.823 0.138 0.000 1.129 160 V HN 0.112 nan 8.190 nan 0.000 0.502 161 L N 0.833 122.206 121.223 0.248 0.000 2.102 161 L HA 0.082 4.422 4.340 0.000 0.000 0.202 161 L C 1.571 178.556 176.870 0.191 0.000 1.076 161 L CA 1.309 56.377 54.840 0.381 0.000 0.761 161 L CB -0.612 41.695 42.059 0.412 0.000 0.921 161 L HN 0.523 nan 8.230 nan 0.000 0.444 162 T N -1.522 113.081 114.554 0.083 0.000 2.867 162 T HA 0.005 4.355 4.350 0.000 0.000 0.297 162 T C 0.576 175.293 174.700 0.028 0.000 0.989 162 T CA -0.204 61.930 62.100 0.056 0.000 1.159 162 T CB 0.980 69.859 68.868 0.019 0.000 0.928 162 T HN 0.264 nan 8.240 nan 0.000 0.538 163 Q N 1.412 121.246 119.800 0.056 0.000 2.280 163 Q HA 0.128 4.468 4.340 0.000 0.000 0.201 163 Q C 0.196 176.305 176.000 0.182 0.000 0.890 163 Q CA -0.063 55.785 55.803 0.076 0.000 0.947 163 Q CB 0.368 29.106 28.738 -0.001 0.000 1.081 163 Q HN 0.666 nan 8.270 nan 0.000 0.502 164 Q N -0.302 119.585 119.800 0.144 0.000 2.387 164 Q HA 0.740 5.080 4.340 0.000 0.000 0.273 164 Q C -0.145 175.856 176.000 0.003 0.000 1.089 164 Q CA -0.480 55.328 55.803 0.010 0.000 0.824 164 Q CB 2.382 31.072 28.738 -0.080 0.000 1.367 164 Q HN 0.167 nan 8.270 nan 0.000 0.443 165 G N 0.097 108.759 108.800 -0.230 0.000 2.561 165 G HA2 0.690 4.650 3.960 0.000 0.000 0.310 165 G HA3 0.690 4.650 3.960 0.000 0.000 0.310 165 G C -1.842 172.662 174.900 -0.660 0.000 1.292 165 G CA -0.608 44.335 45.100 -0.262 0.000 0.811 165 G HN 0.310 nan 8.290 nan 0.000 0.482 166 F N -0.123 119.749 119.950 -0.130 0.000 2.565 166 F HA 0.610 5.137 4.527 0.000 0.000 0.313 166 F C -0.348 175.192 175.800 -0.433 0.000 1.091 166 F CA -1.030 56.736 58.000 -0.389 0.000 0.915 166 F CB 2.547 41.188 39.000 -0.598 0.000 1.208 166 F HN 0.035 nan 8.300 nan 0.000 0.453 167 I N 3.446 123.838 120.570 -0.296 0.000 2.355 167 I HA 0.208 4.378 4.170 0.000 0.000 0.288 167 I C -0.738 175.042 176.117 -0.561 0.000 0.999 167 I CA -0.975 60.119 61.300 -0.343 0.000 1.163 167 I CB 0.932 38.743 38.000 -0.315 0.000 1.316 167 I HN 0.487 nan 8.210 nan 0.000 0.454 168 Y N 5.801 125.936 120.300 -0.275 0.000 2.377 168 Y HA 0.239 4.789 4.550 0.000 0.000 0.330 168 Y C 0.974 176.499 175.900 -0.625 0.000 1.108 168 Y CA 0.285 58.174 58.100 -0.352 0.000 1.308 168 Y CB 0.812 39.135 38.460 -0.228 0.000 1.216 168 Y HN 0.555 nan 8.280 nan 0.000 0.518 169 Q N 0.968 120.425 119.800 -0.570 0.000 3.317 169 Q HA 0.670 5.010 4.340 0.000 0.000 0.322 169 Q C 0.560 176.275 176.000 -0.475 0.000 0.945 169 Q CA -0.529 54.661 55.803 -1.022 0.000 0.793 169 Q CB 1.605 29.791 28.738 -0.920 0.000 2.225 169 Q HN 0.803 nan 8.270 nan 0.000 0.392 170 G N 1.223 109.814 108.800 -0.349 0.000 2.527 170 G HA2 -0.258 3.702 3.960 0.000 0.000 0.262 170 G HA3 -0.258 3.702 3.960 0.000 0.000 0.262 170 G C -0.326 174.673 174.900 0.165 0.000 1.153 170 G CA 0.058 45.005 45.100 -0.256 0.000 0.954 170 G HN 0.842 nan 8.290 nan 0.000 0.552 171 S N -0.990 114.752 115.700 0.070 0.000 2.564 171 S HA 0.764 5.234 4.470 0.000 0.000 0.274 171 S C 1.249 175.675 174.600 -0.289 0.000 1.124 171 S CA 0.749 59.021 58.200 0.119 0.000 0.869 171 S CB 1.316 64.632 63.200 0.193 0.000 1.105 171 S HN 2.313 nan 8.310 nan 0.000 0.472 172 A N 2.888 125.528 122.820 -0.300 0.000 1.997 172 A HA -0.085 4.235 4.320 0.000 0.000 0.221 172 A C 1.781 179.186 177.584 -0.298 0.000 1.172 172 A CA 1.779 53.516 52.037 -0.499 0.000 0.645 172 A CB -0.564 18.365 19.000 -0.118 0.000 0.813 172 A HN 0.832 nan 8.150 nan 0.000 0.454 173 K N -3.124 117.211 120.400 -0.108 0.000 2.393 173 K HA 0.220 4.540 4.320 0.000 0.000 0.193 173 K C -0.693 175.953 176.600 0.077 0.000 1.026 173 K CA 0.060 56.336 56.287 -0.019 0.000 1.064 173 K CB 0.286 32.807 32.500 0.036 0.000 0.833 173 K HN 0.387 nan 8.250 nan 0.000 0.521 174 F N 1.326 121.176 119.950 -0.166 0.000 3.065 174 F HA 0.318 4.845 4.527 0.000 0.000 0.383 174 F C -0.919 174.732 175.800 -0.248 0.000 1.259 174 F CA -0.852 57.058 58.000 -0.151 0.000 1.217 174 F CB 0.510 39.475 39.000 -0.057 0.000 2.042 174 F HN -0.230 nan 8.300 nan 0.000 0.641 175 I N 5.060 125.324 120.570 -0.509 0.000 2.598 175 I HA 0.103 4.273 4.170 0.000 0.000 0.284 175 I C 0.158 175.978 176.117 -0.495 0.000 1.140 175 I CA 0.156 61.182 61.300 -0.457 0.000 1.420 175 I CB 0.328 38.098 38.000 -0.383 0.000 1.387 175 I HN 0.224 nan 8.210 nan 0.000 0.553 176 K N 6.078 126.220 120.400 -0.430 0.000 2.164 176 K HA 0.344 4.664 4.320 0.000 0.000 0.258 176 K C -0.611 175.776 176.600 -0.356 0.000 0.951 176 K CA -0.706 55.313 56.287 -0.447 0.000 0.844 176 K CB 1.657 33.799 32.500 -0.596 0.000 1.099 176 K HN 0.570 nan 8.250 nan 0.000 0.435 177 N N 2.663 121.118 118.700 -0.408 0.000 2.511 177 N HA 0.193 4.933 4.740 0.000 0.000 0.249 177 N C -0.649 174.611 175.510 -0.417 0.000 0.971 177 N CA -0.578 52.080 53.050 -0.653 0.000 0.938 177 N CB 0.750 38.655 38.487 -0.970 0.000 1.131 177 N HN 0.211 nan 8.380 nan 0.000 0.505 178 I N 3.572 123.949 120.570 -0.320 0.000 2.371 178 I HA 0.282 4.452 4.170 0.000 0.000 0.290 178 I C -1.833 174.320 176.117 0.060 0.000 1.028 178 I CA -2.373 58.862 61.300 -0.107 0.000 1.345 178 I CB 0.977 38.879 38.000 -0.165 0.000 1.407 178 I HN 0.416 nan 8.210 nan 0.000 0.501 179 P HA 0.038 nan 4.420 nan 0.000 0.272 179 P C -1.007 176.293 177.300 -0.001 0.000 1.223 179 P CA -0.378 62.687 63.100 -0.057 0.000 0.784 179 P CB 1.006 32.673 31.700 -0.056 0.000 0.923 180 W N 2.913 123.965 121.300 -0.413 0.000 3.425 180 W HA 0.204 4.864 4.660 0.000 0.000 0.318 180 W C -1.662 174.511 176.519 -0.575 0.000 1.201 180 W CA -0.503 56.563 57.345 -0.465 0.000 1.212 180 W CB 1.949 31.038 29.460 -0.618 0.000 1.355 180 W HN 0.280 nan 8.180 nan 0.000 0.515 181 N N 3.890 122.202 118.700 -0.647 0.000 2.589 181 N HA 0.224 4.964 4.740 0.000 0.000 0.232 181 N C 0.377 175.712 175.510 -0.292 0.000 1.015 181 N CA -0.168 52.651 53.050 -0.385 0.000 0.931 181 N CB 0.102 38.406 38.487 -0.306 0.000 1.150 181 N HN 0.185 nan 8.380 nan 0.000 0.512 182 F N 2.154 122.177 119.950 0.121 0.000 2.186 182 F HA 0.156 4.683 4.527 0.000 0.000 0.299 182 F C 2.133 177.934 175.800 0.003 0.000 1.090 182 F CA 1.000 59.089 58.000 0.149 0.000 1.307 182 F CB -0.694 38.353 39.000 0.078 0.000 1.019 182 F HN 0.626 nan 8.300 nan 0.000 0.489 183 G N 1.353 110.217 108.800 0.107 0.000 2.422 183 G HA2 -0.349 3.611 3.960 0.000 0.000 0.301 183 G HA3 -0.349 3.611 3.960 0.000 0.000 0.301 183 G C 1.254 176.143 174.900 -0.019 0.000 0.981 183 G CA 0.720 45.824 45.100 0.007 0.000 0.994 183 G HN 0.503 nan 8.290 nan 0.000 0.514 184 Q N -0.995 118.719 119.800 -0.142 0.000 2.234 184 Q HA -0.094 4.246 4.340 0.000 0.000 0.206 184 Q C 1.494 177.475 176.000 -0.031 0.000 0.980 184 Q CA 1.435 57.130 55.803 -0.180 0.000 0.869 184 Q CB -0.306 28.204 28.738 -0.380 0.000 0.912 184 Q HN 0.625 nan 8.270 nan 0.000 0.436 185 F N 1.573 121.568 119.950 0.076 0.000 2.660 185 F HA 0.346 4.873 4.527 0.000 0.000 0.302 185 F C 0.894 176.716 175.800 0.037 0.000 1.103 185 F CA -0.886 57.149 58.000 0.059 0.000 1.340 185 F CB -0.246 38.783 39.000 0.049 0.000 1.048 185 F HN -0.023 nan 8.300 nan 0.000 0.551 186 Q N 0.531 120.429 119.800 0.165 0.000 2.454 186 Q HA -0.003 4.337 4.340 0.000 0.000 0.247 186 Q C -0.189 175.885 176.000 0.123 0.000 1.028 186 Q CA -0.244 55.624 55.803 0.110 0.000 0.910 186 Q CB 0.587 29.360 28.738 0.059 0.000 1.276 186 Q HN 0.100 nan 8.270 nan 0.000 0.489 187 D N -0.465 119.998 120.400 0.105 0.000 2.520 187 D HA 0.065 4.705 4.640 0.000 0.000 0.243 187 D C 0.865 177.215 176.300 0.083 0.000 1.160 187 D CA 1.850 55.906 54.000 0.094 0.000 0.877 187 D CB -0.017 40.830 40.800 0.079 0.000 1.150 187 D HN 0.693 nan 8.370 nan 0.000 0.494 188 G N 3.684 112.534 108.800 0.083 0.000 2.179 188 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 188 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 188 G C 1.111 176.065 174.900 0.090 0.000 0.977 188 G CA 0.277 45.422 45.100 0.075 0.000 0.641 188 G HN 0.521 nan 8.290 nan 0.000 0.533 189 I N 0.475 121.109 120.570 0.106 0.000 2.353 189 I HA 0.049 4.219 4.170 0.000 0.000 0.248 189 I C 2.714 178.905 176.117 0.123 0.000 1.119 189 I CA 1.091 62.459 61.300 0.114 0.000 1.417 189 I CB -1.016 37.051 38.000 0.113 0.000 1.078 189 I HN 0.368 nan 8.210 nan 0.000 0.421 190 L N 0.669 121.973 121.223 0.136 0.000 2.046 190 L HA -0.242 4.098 4.340 0.000 0.000 0.208 190 L C 2.169 179.101 176.870 0.103 0.000 1.077 190 L CA 1.763 56.685 54.840 0.136 0.000 0.747 190 L CB -0.337 41.805 42.059 0.139 0.000 0.896 190 L HN 0.240 nan 8.230 nan 0.000 0.432 191 D N -0.001 120.450 120.400 0.085 0.000 2.144 191 D HA -0.179 4.461 4.640 0.000 0.000 0.199 191 D C 2.227 178.573 176.300 0.077 0.000 0.984 191 D CA 1.304 55.340 54.000 0.061 0.000 0.834 191 D CB 0.014 40.839 40.800 0.041 0.000 0.955 191 D HN 0.430 nan 8.370 nan 0.000 0.465 192 I N 0.567 121.202 120.570 0.108 0.000 2.315 192 I HA -0.231 3.939 4.170 0.000 0.000 0.248 192 I C 2.370 178.598 176.117 0.185 0.000 1.117 192 I CA 0.490 61.892 61.300 0.171 0.000 1.404 192 I CB -0.128 37.992 38.000 0.200 0.000 1.071 192 I HN 0.059 nan 8.210 nan 0.000 0.419 193 C N 0.665 120.040 119.300 0.125 0.000 2.440 193 C HA -0.105 4.355 4.460 0.000 0.000 0.278 193 C C 2.725 177.764 174.990 0.083 0.000 1.295 193 C CA 0.478 59.553 59.018 0.095 0.000 1.738 193 C CB -0.957 26.840 27.740 0.095 0.000 1.987 193 C HN 0.449 nan 8.230 nan 0.000 0.492 194 L N 0.382 121.648 121.223 0.071 0.000 2.027 194 L HA -0.130 4.210 4.340 0.000 0.000 0.206 194 L C 2.483 179.350 176.870 -0.005 0.000 1.074 194 L CA 1.509 56.365 54.840 0.027 0.000 0.745 194 L CB -0.541 41.526 42.059 0.013 0.000 0.898 194 L HN 0.330 nan 8.230 nan 0.000 0.433 195 I N -0.359 120.232 120.570 0.036 0.000 2.208 195 I HA -0.332 3.838 4.170 0.000 0.000 0.245 195 I C 2.547 178.734 176.117 0.117 0.000 1.097 195 I CA 1.012 62.328 61.300 0.028 0.000 1.363 195 I CB -0.298 37.733 38.000 0.051 0.000 1.051 195 I HN 0.310 nan 8.210 nan 0.000 0.413 196 L N 1.018 122.386 121.223 0.242 0.000 2.043 196 L HA -0.232 4.108 4.340 0.000 0.000 0.212 196 L C 2.356 179.267 176.870 0.069 0.000 1.075 196 L CA 2.128 57.105 54.840 0.228 0.000 0.752 196 L CB -0.599 41.475 42.059 0.025 0.000 0.891 196 L HN 0.284 nan 8.230 nan 0.000 0.432 197 L N -0.671 120.554 121.223 0.004 0.000 2.095 197 L HA -0.148 4.192 4.340 0.000 0.000 0.204 197 L C 1.899 178.655 176.870 -0.190 0.000 1.080 197 L CA 0.893 55.710 54.840 -0.038 0.000 0.759 197 L CB -0.601 41.457 42.059 -0.001 0.000 0.914 197 L HN 0.177 nan 8.230 nan 0.000 0.439 198 D N -0.654 119.518 120.400 -0.380 0.000 2.392 198 D HA -0.081 4.559 4.640 0.000 0.000 0.228 198 D C 1.416 177.294 176.300 -0.703 0.000 1.003 198 D CA 0.711 54.105 54.000 -1.011 0.000 0.917 198 D CB 0.541 40.859 40.800 -0.803 0.000 0.890 198 D HN 0.094 nan 8.370 nan 0.000 0.532 199 V N 0.559 120.351 119.914 -0.203 0.000 3.252 199 V HA 0.064 4.184 4.120 0.000 0.000 0.320 199 V C -0.001 176.152 176.094 0.098 0.000 1.459 199 V CA -0.348 61.953 62.300 0.002 0.000 1.095 199 V CB -0.063 31.788 31.823 0.046 0.000 0.997 199 V HN 0.098 nan 8.190 nan 0.000 0.469 200 N N 0.492 119.244 118.700 0.086 0.000 2.503 200 N HA 0.265 5.005 4.740 0.000 0.000 0.267 200 N C -1.480 174.122 175.510 0.153 0.000 1.214 200 N CA -0.860 52.254 53.050 0.105 0.000 0.959 200 N CB 1.121 39.646 38.487 0.064 0.000 1.142 200 N HN -0.095 nan 8.380 nan 0.000 0.455 201 P HA -0.265 nan 4.420 nan 0.000 0.219 201 P C 0.460 177.840 177.300 0.133 0.000 1.158 201 P CA 2.215 65.381 63.100 0.111 0.000 0.895 201 P CB 0.083 31.830 31.700 0.078 0.000 0.792 202 K N -2.394 118.093 120.400 0.145 0.000 2.280 202 K HA -0.134 4.186 4.320 0.000 0.000 0.202 202 K C 1.964 178.692 176.600 0.215 0.000 1.047 202 K CA 1.002 57.394 56.287 0.174 0.000 0.942 202 K CB -0.533 32.098 32.500 0.219 0.000 0.739 202 K HN 0.188 nan 8.250 nan 0.000 0.457 203 F N 1.196 121.198 119.950 0.086 0.000 2.335 203 F HA 0.007 4.534 4.527 0.000 0.000 0.296 203 F C 1.606 177.437 175.800 0.051 0.000 1.091 203 F CA 0.705 58.749 58.000 0.072 0.000 1.399 203 F CB 0.151 39.195 39.000 0.072 0.000 1.067 203 F HN -0.142 nan 8.300 nan 0.000 0.520 204 L N -0.184 121.175 121.223 0.227 0.000 2.093 204 L HA -0.156 4.184 4.340 0.000 0.000 0.208 204 L C 2.412 179.295 176.870 0.021 0.000 1.085 204 L CA 0.944 55.855 54.840 0.118 0.000 0.755 204 L CB -0.679 41.460 42.059 0.133 0.000 0.904 204 L HN -0.002 nan 8.230 nan 0.000 0.435 205 K N 0.197 120.615 120.400 0.030 0.000 2.031 205 K HA -0.026 4.294 4.320 0.000 0.000 0.205 205 K C 0.679 177.256 176.600 -0.038 0.000 1.049 205 K CA 0.876 57.166 56.287 0.006 0.000 0.939 205 K CB -0.163 32.354 32.500 0.028 0.000 0.717 205 K HN 0.294 nan 8.250 nan 0.000 0.438 206 N N -0.926 117.735 118.700 -0.065 0.000 2.827 206 N HA 0.182 4.922 4.740 0.000 0.000 0.240 206 N C -0.024 175.371 175.510 -0.191 0.000 1.352 206 N CA -0.002 52.984 53.050 -0.107 0.000 0.760 206 N CB 0.858 39.316 38.487 -0.049 0.000 1.426 206 N HN -0.056 nan 8.380 nan 0.000 0.561 207 A N 1.839 124.410 122.820 -0.415 0.000 1.978 207 A HA -0.075 4.245 4.320 0.000 0.000 0.220 207 A C 1.990 179.379 177.584 -0.325 0.000 1.170 207 A CA 2.081 53.655 52.037 -0.771 0.000 0.636 207 A CB -0.727 17.546 19.000 -1.211 0.000 0.810 207 A HN 0.701 nan 8.150 nan 0.000 0.448 208 G N -0.965 107.714 108.800 -0.201 0.000 2.402 208 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 208 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 208 G C 1.708 176.572 174.900 -0.060 0.000 1.162 208 G CA 0.665 45.704 45.100 -0.102 0.000 0.777 208 G HN 0.378 nan 8.290 nan 0.000 0.539 209 R N 0.381 120.846 120.500 -0.057 0.000 2.115 209 R HA 0.006 4.346 4.340 0.000 0.000 0.226 209 R C 2.120 178.378 176.300 -0.070 0.000 1.100 209 R CA 1.233 57.300 56.100 -0.055 0.000 0.980 209 R CB -0.791 29.485 30.300 -0.040 0.000 0.875 209 R HN 0.475 nan 8.270 nan 0.000 0.445 210 D N -0.284 120.127 120.400 0.019 0.000 2.078 210 D HA -0.147 4.493 4.640 0.000 0.000 0.193 210 D C 1.663 178.033 176.300 0.117 0.000 0.990 210 D CA 1.575 55.663 54.000 0.146 0.000 0.827 210 D CB -0.048 40.962 40.800 0.350 0.000 0.975 210 D HN 0.103 nan 8.370 nan 0.000 0.451 211 C N -0.281 119.106 119.300 0.144 0.000 2.411 211 C HA -0.085 4.375 4.460 0.000 0.000 0.279 211 C C 2.960 177.972 174.990 0.036 0.000 1.288 211 C CA 1.192 60.279 59.018 0.115 0.000 1.764 211 C CB -1.242 26.564 27.740 0.108 0.000 1.974 211 C HN 0.451 nan 8.230 nan 0.000 0.498 212 S N 0.114 115.806 115.700 -0.013 0.000 2.357 212 S HA -0.063 4.407 4.470 0.000 0.000 0.221 212 S C 1.975 176.524 174.600 -0.084 0.000 1.031 212 S CA 0.913 59.097 58.200 -0.027 0.000 0.982 212 S CB -0.247 62.931 63.200 -0.037 0.000 0.853 212 S HN 0.618 nan 8.310 nan 0.000 0.458 213 R N 0.509 120.860 120.500 -0.249 0.000 2.328 213 R HA 0.157 4.497 4.340 0.000 0.000 0.207 213 R C 1.559 177.671 176.300 -0.313 0.000 1.056 213 R CA 0.451 56.257 56.100 -0.490 0.000 1.016 213 R CB -0.131 29.506 30.300 -1.105 0.000 0.872 213 R HN 0.339 nan 8.270 nan 0.000 0.471 214 R N 0.539 121.015 120.500 -0.040 0.000 2.391 214 R HA -0.011 4.329 4.340 0.000 0.000 0.225 214 R C 1.491 177.876 176.300 0.142 0.000 1.079 214 R CA 0.587 56.812 56.100 0.207 0.000 1.147 214 R CB 0.103 30.517 30.300 0.190 0.000 1.103 214 R HN 0.200 nan 8.270 nan 0.000 0.499 215 S N -1.472 114.293 115.700 0.108 0.000 2.492 215 S HA 0.003 4.473 4.470 0.000 0.000 0.218 215 S C 0.997 175.742 174.600 0.241 0.000 1.016 215 S CA -0.341 57.913 58.200 0.091 0.000 0.916 215 S CB 0.468 63.713 63.200 0.074 0.000 0.791 215 S HN 0.096 nan 8.310 nan 0.000 0.513 216 S N 3.393 119.265 115.700 0.288 0.000 2.452 216 S HA 0.398 4.868 4.470 0.000 0.000 0.284 216 S C -1.368 173.481 174.600 0.414 0.000 1.171 216 S CA -1.662 56.736 58.200 0.330 0.000 1.064 216 S CB 1.301 64.648 63.200 0.244 0.000 0.967 216 S HN 0.207 nan 8.310 nan 0.000 0.484 217 P HA -0.088 nan 4.420 nan 0.000 0.221 217 P C 1.646 178.945 177.300 -0.001 0.000 1.150 217 P CA 0.871 63.918 63.100 -0.090 0.000 0.800 217 P CB -0.137 31.337 31.700 -0.375 0.000 0.787 218 V N -1.569 118.386 119.914 0.068 0.000 2.427 218 V HA -0.222 3.898 4.120 0.000 0.000 0.248 218 V C 2.443 178.579 176.094 0.069 0.000 1.051 218 V CA 1.364 63.700 62.300 0.059 0.000 1.048 218 V CB -1.628 30.261 31.823 0.110 0.000 0.666 218 V HN -0.061 nan 8.190 nan 0.000 0.456 219 Y N 0.849 121.182 120.300 0.055 0.000 2.163 219 Y HA -0.094 4.456 4.550 0.000 0.000 0.288 219 Y C 2.375 178.305 175.900 0.050 0.000 1.136 219 Y CA 2.474 60.602 58.100 0.047 0.000 1.147 219 Y CB -0.300 38.211 38.460 0.084 0.000 0.987 219 Y HN 0.139 nan 8.280 nan 0.000 0.509 220 V N 0.308 120.329 119.914 0.178 0.000 2.490 220 V HA -0.248 3.872 4.120 0.000 0.000 0.250 220 V C 2.567 178.637 176.094 -0.040 0.000 1.061 220 V CA 1.769 64.137 62.300 0.113 0.000 1.064 220 V CB -1.553 30.468 31.823 0.330 0.000 0.670 220 V HN 0.648 nan 8.190 nan 0.000 0.461 221 G N 0.014 108.780 108.800 -0.057 0.000 2.433 221 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 221 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 221 G C 1.736 176.552 174.900 -0.141 0.000 1.186 221 G CA 0.723 45.770 45.100 -0.089 0.000 0.779 221 G HN 0.419 nan 8.290 nan 0.000 0.543 222 R N -0.282 120.089 120.500 -0.216 0.000 2.127 222 R HA -0.031 4.309 4.340 0.000 0.000 0.238 222 R C 2.642 178.784 176.300 -0.262 0.000 1.134 222 R CA 1.112 57.045 56.100 -0.278 0.000 0.975 222 R CB -0.406 29.659 30.300 -0.392 0.000 0.865 222 R HN 0.339 nan 8.270 nan 0.000 0.447 223 V N -0.091 119.642 119.914 -0.303 0.000 2.283 223 V HA -0.119 4.001 4.120 0.000 0.000 0.243 223 V C 2.437 178.446 176.094 -0.142 0.000 1.039 223 V CA 2.048 64.208 62.300 -0.234 0.000 1.016 223 V CB -1.018 30.654 31.823 -0.252 0.000 0.650 223 V HN 0.502 nan 8.190 nan 0.000 0.449 224 G N -0.610 108.123 108.800 -0.111 0.000 2.529 224 G HA2 -0.380 3.580 3.960 0.000 0.000 0.219 224 G HA3 -0.380 3.580 3.960 0.000 0.000 0.219 224 G C 1.948 176.783 174.900 -0.108 0.000 1.177 224 G CA 1.591 46.638 45.100 -0.089 0.000 0.773 224 G HN 0.480 nan 8.290 nan 0.000 0.573 225 S N 0.493 116.131 115.700 -0.103 0.000 2.359 225 S HA -0.060 4.410 4.470 0.000 0.000 0.223 225 S C 2.523 177.054 174.600 -0.115 0.000 1.039 225 S CA 2.109 60.253 58.200 -0.095 0.000 1.042 225 S CB -0.881 62.265 63.200 -0.090 0.000 0.915 225 S HN 0.542 nan 8.310 nan 0.000 0.439 226 G N 0.794 109.522 108.800 -0.120 0.000 2.422 226 G HA2 -0.100 3.860 3.960 0.000 0.000 0.218 226 G HA3 -0.100 3.860 3.960 0.000 0.000 0.218 226 G C 1.377 176.207 174.900 -0.116 0.000 1.140 226 G CA 0.691 45.728 45.100 -0.105 0.000 0.775 226 G HN 0.440 nan 8.290 nan 0.000 0.545 227 M N 0.573 120.096 119.600 -0.128 0.000 2.557 227 M HA 0.096 4.576 4.480 0.000 0.000 0.259 227 M C 2.519 178.683 176.300 -0.226 0.000 1.086 227 M CA 0.334 55.546 55.300 -0.147 0.000 1.096 227 M CB -0.251 32.259 32.600 -0.150 0.000 1.424 227 M HN 0.108 nan 8.290 nan 0.000 0.488 228 V N 0.762 120.536 119.914 -0.233 0.000 2.307 228 V HA -0.222 3.898 4.120 0.000 0.000 0.245 228 V C 2.025 177.909 176.094 -0.351 0.000 1.045 228 V CA 1.943 64.075 62.300 -0.279 0.000 1.024 228 V CB -0.385 31.319 31.823 -0.199 0.000 0.651 228 V HN 0.609 nan 8.190 nan 0.000 0.449 229 N N -3.069 115.380 118.700 -0.419 0.000 2.200 229 N HA -0.027 4.713 4.740 0.000 0.000 0.233 229 N C 1.618 176.967 175.510 -0.269 0.000 1.236 229 N CA 0.542 53.297 53.050 -0.491 0.000 0.845 229 N CB 0.526 38.334 38.487 -1.131 0.000 1.257 229 N HN 0.386 nan 8.380 nan 0.000 0.472 230 C N 1.995 121.165 119.300 -0.218 0.000 3.617 230 C HA -0.015 4.446 4.460 0.000 0.000 0.295 230 C C 0.752 175.691 174.990 -0.084 0.000 1.224 230 C CA 0.631 59.568 59.018 -0.136 0.000 1.817 230 C CB -1.440 26.243 27.740 -0.096 0.000 2.043 230 C HN 0.468 nan 8.230 nan 0.000 0.427 231 N N 2.548 121.220 118.700 -0.048 0.000 2.316 231 N HA -0.065 4.675 4.740 0.000 0.000 0.296 231 N C 0.517 176.034 175.510 0.011 0.000 1.291 231 N CA 0.626 53.674 53.050 -0.003 0.000 1.096 231 N CB -0.403 38.094 38.487 0.016 0.000 1.494 231 N HN 0.668 nan 8.380 nan 0.000 0.486 232 D N -0.168 120.235 120.400 0.006 0.000 2.397 232 D HA -0.207 4.433 4.640 0.000 0.000 0.219 232 D C 0.295 176.627 176.300 0.053 0.000 0.975 232 D CA 1.124 55.139 54.000 0.025 0.000 0.940 232 D CB 0.277 41.086 40.800 0.015 0.000 0.884 232 D HN 0.321 nan 8.370 nan 0.000 0.505 233 D N 0.074 120.513 120.400 0.064 0.000 2.355 233 D HA -0.037 4.603 4.640 0.000 0.000 0.233 233 D C 1.776 178.145 176.300 0.115 0.000 0.997 233 D CA 0.581 54.626 54.000 0.075 0.000 0.920 233 D CB -0.071 40.768 40.800 0.065 0.000 1.063 233 D HN 0.140 nan 8.370 nan 0.000 0.465 234 Q N 0.957 120.845 119.800 0.148 0.000 2.365 234 Q HA 0.198 4.538 4.340 0.000 0.000 0.203 234 Q C 0.777 177.006 176.000 0.381 0.000 0.929 234 Q CA -0.127 55.837 55.803 0.268 0.000 0.948 234 Q CB 0.138 29.024 28.738 0.248 0.000 1.043 234 Q HN 0.079 nan 8.270 nan 0.000 0.505 235 G N 0.384 109.296 108.800 0.186 0.000 2.391 235 G HA2 0.154 4.114 3.960 0.000 0.000 0.234 235 G HA3 0.154 4.114 3.960 0.000 0.000 0.234 235 G C 1.129 176.036 174.900 0.012 0.000 1.284 235 G CA -0.344 44.783 45.100 0.046 0.000 0.873 235 G HN 0.104 nan 8.290 nan 0.000 0.549 236 V N 2.674 122.387 119.914 -0.335 0.000 2.323 236 V HA 0.044 4.164 4.120 0.000 0.000 0.244 236 V C 1.264 177.236 176.094 -0.203 0.000 1.041 236 V CA 1.271 63.206 62.300 -0.609 0.000 1.025 236 V CB -0.674 30.680 31.823 -0.782 0.000 0.656 236 V HN 0.441 nan 8.190 nan 0.000 0.451 237 L N -0.220 120.930 121.223 -0.122 0.000 2.354 237 L HA 0.573 4.913 4.340 0.000 0.000 0.269 237 L C -1.025 175.893 176.870 0.081 0.000 1.005 237 L CA -0.700 54.150 54.840 0.017 0.000 0.819 237 L CB 2.315 44.455 42.059 0.135 0.000 1.311 237 L HN 0.097 nan 8.230 nan 0.000 0.423 238 L N 1.700 123.012 121.223 0.148 0.000 2.280 238 L HA 0.685 5.025 4.340 0.000 0.000 0.287 238 L C 0.258 177.318 176.870 0.316 0.000 1.023 238 L CA 0.088 55.049 54.840 0.203 0.000 0.819 238 L CB 1.222 43.390 42.059 0.182 0.000 1.212 238 L HN 0.548 nan 8.230 nan 0.000 0.420 239 G N 4.319 113.319 108.800 0.332 0.000 2.527 239 G HA2 0.487 4.447 3.960 0.000 0.000 0.248 239 G HA3 0.487 4.447 3.960 0.000 0.000 0.248 239 G C -0.869 174.069 174.900 0.064 0.000 1.231 239 G CA -0.490 44.694 45.100 0.140 0.000 0.838 239 G HN 0.791 nan 8.290 nan 0.000 0.570 240 R N 0.746 121.023 120.500 -0.373 0.000 2.561 240 R HA 0.236 4.576 4.340 0.000 0.000 0.266 240 R C -0.940 175.270 176.300 -0.151 0.000 1.091 240 R CA -0.858 55.186 56.100 -0.093 0.000 0.927 240 R CB 1.287 31.364 30.300 -0.371 0.000 1.240 240 R HN 0.692 nan 8.270 nan 0.000 0.449 241 W N 2.877 124.245 121.300 0.113 0.000 2.518 241 W HA 0.061 4.721 4.660 0.000 0.000 0.352 241 W C 0.357 176.901 176.519 0.041 0.000 0.952 241 W CA -0.075 57.340 57.345 0.117 0.000 1.624 241 W CB 1.031 30.506 29.460 0.025 0.000 1.135 241 W HN 0.647 nan 8.180 nan 0.000 0.540 242 D N -0.953 119.493 120.400 0.077 0.000 2.328 242 D HA -0.055 4.585 4.640 0.000 0.000 0.221 242 D C 0.783 176.947 176.300 -0.227 0.000 1.072 242 D CA 0.107 54.066 54.000 -0.068 0.000 0.850 242 D CB -0.324 40.422 40.800 -0.091 0.000 0.922 242 D HN -0.047 nan 8.370 nan 0.000 0.516 243 N N -0.544 117.914 118.700 -0.405 0.000 2.878 243 N HA -0.240 4.500 4.740 0.000 0.000 0.247 243 N C -1.126 173.939 175.510 -0.741 0.000 1.021 243 N CA 0.833 53.611 53.050 -0.453 0.000 0.873 243 N CB -2.015 36.425 38.487 -0.079 0.000 1.128 243 N HN 0.438 nan 8.380 nan 0.000 0.571 244 N N 0.098 118.174 118.700 -1.039 0.000 2.898 244 N HA 0.313 5.053 4.740 0.000 0.000 0.245 244 N C -0.884 174.205 175.510 -0.701 0.000 1.185 244 N CA -0.352 52.323 53.050 -0.625 0.000 0.879 244 N CB 0.190 38.468 38.487 -0.347 0.000 1.157 244 N HN 0.200 nan 8.380 nan 0.000 0.503 245 Y N -0.132 120.127 120.300 -0.067 0.000 2.720 245 Y HA 0.382 4.932 4.550 0.000 0.000 0.268 245 Y C 1.839 177.812 175.900 0.122 0.000 1.142 245 Y CA -0.818 57.287 58.100 0.010 0.000 1.193 245 Y CB 0.403 38.866 38.460 0.006 0.000 1.176 245 Y HN 0.449 nan 8.280 nan 0.000 0.542 246 G N 0.926 109.808 108.800 0.136 0.000 2.469 246 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 246 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 246 G C 1.128 176.093 174.900 0.108 0.000 1.150 246 G CA 1.331 46.490 45.100 0.098 0.000 0.763 246 G HN 0.497 nan 8.290 nan 0.000 0.561 247 D N 0.428 120.918 120.400 0.150 0.000 2.519 247 D HA 0.371 5.011 4.640 0.000 0.000 0.238 247 D C 0.843 177.187 176.300 0.073 0.000 1.192 247 D CA 0.498 54.560 54.000 0.104 0.000 0.835 247 D CB -0.081 40.782 40.800 0.105 0.000 0.975 247 D HN 0.379 nan 8.370 nan 0.000 0.490 248 G N -1.262 107.596 108.800 0.097 0.000 2.427 248 G HA2 0.349 4.309 3.960 0.000 0.000 0.306 248 G HA3 0.349 4.309 3.960 0.000 0.000 0.306 248 G C -1.777 173.130 174.900 0.011 0.000 1.280 248 G CA -0.658 44.430 45.100 -0.020 0.000 0.837 248 G HN 0.049 nan 8.290 nan 0.000 0.482 249 V N 1.740 121.608 119.914 -0.075 0.000 2.370 249 V HA 0.530 4.650 4.120 0.000 0.000 0.279 249 V C 1.018 176.966 176.094 -0.242 0.000 1.029 249 V CA -0.118 61.994 62.300 -0.315 0.000 0.870 249 V CB 0.993 32.288 31.823 -0.880 0.000 0.984 249 V HN 1.175 nan 8.190 nan 0.000 0.451 250 S N 5.858 121.411 115.700 -0.245 0.000 2.568 250 S HA 0.168 4.638 4.470 0.000 0.000 0.282 250 S C -1.588 172.758 174.600 -0.424 0.000 1.338 250 S CA -0.568 57.416 58.200 -0.361 0.000 1.045 250 S CB 0.915 63.977 63.200 -0.231 0.000 0.873 250 S HN 0.551 nan 8.310 nan 0.000 0.516 251 P HA -0.106 nan 4.420 nan 0.000 0.216 251 P C 1.530 178.961 177.300 0.219 0.000 1.150 251 P CA 1.236 64.266 63.100 -0.115 0.000 0.843 251 P CB 0.020 31.476 31.700 -0.407 0.000 0.787 252 M N -1.465 118.244 119.600 0.181 0.000 2.557 252 M HA -0.009 4.471 4.480 0.000 0.000 0.259 252 M C 1.744 178.118 176.300 0.124 0.000 1.086 252 M CA 1.304 56.779 55.300 0.290 0.000 1.096 252 M CB -1.268 31.425 32.600 0.155 0.000 1.424 252 M HN -0.097 nan 8.290 nan 0.000 0.488 253 S N -0.933 114.713 115.700 -0.091 0.000 2.414 253 S HA -0.054 4.416 4.470 0.000 0.000 0.227 253 S C 0.051 174.548 174.600 -0.171 0.000 1.022 253 S CA 0.020 58.100 58.200 -0.201 0.000 0.958 253 S CB -0.138 62.836 63.200 -0.378 0.000 0.797 253 S HN 0.476 nan 8.310 nan 0.000 0.493 254 W N 2.154 123.470 121.300 0.027 0.000 2.343 254 W HA 0.144 4.804 4.660 0.000 0.000 0.337 254 W C 1.125 177.464 176.519 -0.301 0.000 1.320 254 W CA -0.409 56.877 57.345 -0.099 0.000 1.290 254 W CB 0.024 29.494 29.460 0.015 0.000 1.206 254 W HN 0.208 nan 8.180 nan 0.000 0.565 255 I N 1.328 121.739 120.570 -0.265 0.000 4.009 255 I HA 0.665 4.835 4.170 0.000 0.000 0.331 255 I C 0.653 176.153 176.117 -1.028 0.000 1.462 255 I CA -0.280 60.717 61.300 -0.504 0.000 1.117 255 I CB -0.098 37.771 38.000 -0.219 0.000 1.091 255 I HN 0.404 nan 8.210 nan 0.000 0.410 256 G N 0.101 108.031 108.800 -1.451 0.000 2.368 256 G HA2 0.250 4.210 3.960 0.000 0.000 0.293 256 G HA3 0.250 4.210 3.960 0.000 0.000 0.293 256 G C -0.324 174.181 174.900 -0.658 0.000 1.467 256 G CA -0.093 44.148 45.100 -1.431 0.000 0.804 256 G HN -0.122 nan 8.290 nan 0.000 0.535 257 S N -0.691 114.952 115.700 -0.095 0.000 2.436 257 S HA -0.032 4.438 4.470 0.000 0.000 0.228 257 S C 2.614 177.206 174.600 -0.014 0.000 1.014 257 S CA 1.067 59.346 58.200 0.131 0.000 0.950 257 S CB 0.002 63.391 63.200 0.314 0.000 0.784 257 S HN 0.516 nan 8.310 nan 0.000 0.504 258 V N 2.493 122.391 119.914 -0.027 0.000 2.231 258 V HA -0.277 3.843 4.120 0.000 0.000 0.250 258 V C 2.321 178.415 176.094 0.001 0.000 1.058 258 V CA 2.353 64.650 62.300 -0.004 0.000 1.022 258 V CB -0.715 31.102 31.823 -0.009 0.000 0.640 258 V HN 0.421 nan 8.190 nan 0.000 0.445 259 D N -0.623 119.776 120.400 -0.001 0.000 2.182 259 D HA -0.141 4.499 4.640 0.000 0.000 0.201 259 D C 1.910 178.218 176.300 0.013 0.000 0.986 259 D CA 1.217 55.255 54.000 0.063 0.000 0.847 259 D CB -0.144 40.756 40.800 0.167 0.000 0.942 259 D HN 0.491 nan 8.370 nan 0.000 0.467 260 I N -0.404 120.055 120.570 -0.185 0.000 2.133 260 I HA -0.221 3.949 4.170 0.000 0.000 0.238 260 I C 2.027 178.094 176.117 -0.083 0.000 1.074 260 I CA 0.327 61.417 61.300 -0.351 0.000 1.342 260 I CB -0.179 37.458 38.000 -0.604 0.000 1.053 260 I HN 0.092 nan 8.210 nan 0.000 0.404 261 L N 0.800 122.001 121.223 -0.037 0.000 2.081 261 L HA -0.210 4.130 4.340 0.000 0.000 0.212 261 L C 2.603 179.596 176.870 0.205 0.000 1.080 261 L CA 1.810 56.697 54.840 0.079 0.000 0.754 261 L CB -1.194 40.899 42.059 0.057 0.000 0.893 261 L HN 0.205 nan 8.230 nan 0.000 0.433 262 R N -1.108 119.472 120.500 0.135 0.000 2.062 262 R HA -0.062 4.278 4.340 0.000 0.000 0.229 262 R C 2.268 178.670 176.300 0.170 0.000 1.128 262 R CA 0.887 57.069 56.100 0.137 0.000 0.960 262 R CB -0.223 30.134 30.300 0.095 0.000 0.855 262 R HN 0.303 nan 8.270 nan 0.000 0.432 263 R N -0.599 120.019 120.500 0.196 0.000 2.152 263 R HA -0.186 4.154 4.340 0.000 0.000 0.232 263 R C 1.801 178.310 176.300 0.348 0.000 1.117 263 R CA 1.373 57.644 56.100 0.285 0.000 0.981 263 R CB -0.222 30.219 30.300 0.235 0.000 0.870 263 R HN 0.338 nan 8.270 nan 0.000 0.451 264 W N 2.066 123.410 121.300 0.073 0.000 2.380 264 W HA -0.155 4.505 4.660 0.000 0.000 0.317 264 W C 2.191 178.748 176.519 0.062 0.000 1.196 264 W CA 1.270 58.646 57.345 0.051 0.000 1.307 264 W CB -0.251 29.209 29.460 0.000 0.000 1.157 264 W HN -0.154 nan 8.180 nan 0.000 0.483 265 K N 0.312 120.729 120.400 0.029 0.000 2.057 265 K HA -0.194 4.126 4.320 0.000 0.000 0.207 265 K C 1.509 178.004 176.600 -0.175 0.000 1.049 265 K CA 1.991 58.143 56.287 -0.224 0.000 0.931 265 K CB -0.750 31.723 32.500 -0.045 0.000 0.714 265 K HN 0.289 nan 8.250 nan 0.000 0.440 266 N N -0.422 118.228 118.700 -0.083 0.000 2.609 266 N HA -0.097 4.643 4.740 0.000 0.000 0.190 266 N C -0.157 175.111 175.510 -0.403 0.000 1.157 266 N CA 0.325 53.256 53.050 -0.198 0.000 0.918 266 N CB 0.042 38.422 38.487 -0.180 0.000 0.978 266 N HN 0.312 nan 8.380 nan 0.000 0.448 267 H N -1.282 117.728 119.070 -0.100 0.000 2.637 267 H HA 0.264 4.820 4.556 0.000 0.000 0.245 267 H C 0.634 175.875 175.328 -0.145 0.000 1.190 267 H CA -0.044 55.952 56.048 -0.087 0.000 0.934 267 H CB 0.698 30.436 29.762 -0.040 0.000 1.950 267 H HN 0.112 nan 8.280 nan 0.000 0.614 268 G N 0.444 109.156 108.800 -0.147 0.000 2.246 268 G HA2 -0.345 3.615 3.960 0.000 0.000 0.273 268 G HA3 -0.345 3.615 3.960 0.000 0.000 0.273 268 G C 0.608 175.318 174.900 -0.318 0.000 1.055 268 G CA 0.081 45.061 45.100 -0.201 0.000 0.851 268 G HN 0.609 nan 8.290 nan 0.000 0.500 269 C N -1.243 117.682 119.300 -0.625 0.000 4.350 269 C HA -0.139 4.321 4.460 0.000 0.000 0.302 269 C C 0.913 175.714 174.990 -0.315 0.000 1.390 269 C CA 1.329 59.700 59.018 -1.077 0.000 2.016 269 C CB -2.201 24.984 27.740 -0.925 0.000 1.271 269 C HN 0.826 nan 8.230 nan 0.000 0.760 270 Q N -0.600 119.135 119.800 -0.109 0.000 2.256 270 Q HA 0.449 4.789 4.340 0.000 0.000 0.257 270 Q C 0.370 176.505 176.000 0.225 0.000 0.936 270 Q CA -0.623 55.230 55.803 0.082 0.000 0.903 270 Q CB 1.084 29.845 28.738 0.038 0.000 1.263 270 Q HN 0.514 nan 8.270 nan 0.000 0.440 271 R N 0.726 121.349 120.500 0.206 0.000 2.494 271 R HA -0.012 4.328 4.340 0.000 0.000 0.291 271 R C -0.464 175.894 176.300 0.097 0.000 0.953 271 R CA 0.033 56.232 56.100 0.166 0.000 1.098 271 R CB -0.021 30.341 30.300 0.102 0.000 0.911 271 R HN 0.297 nan 8.270 nan 0.000 0.407 272 V N 4.204 124.172 119.914 0.090 0.000 2.583 272 V HA 0.078 4.198 4.120 0.000 0.000 0.287 272 V C 0.309 176.396 176.094 -0.011 0.000 1.051 272 V CA -0.273 62.050 62.300 0.039 0.000 1.010 272 V CB 1.393 33.239 31.823 0.038 0.000 0.988 272 V HN 0.557 nan 8.190 nan 0.000 0.478 273 K N 4.233 124.546 120.400 -0.145 0.000 2.262 273 K HA 0.569 4.889 4.320 0.000 0.000 0.282 273 K C -1.252 175.296 176.600 -0.086 0.000 1.066 273 K CA 0.147 56.100 56.287 -0.556 0.000 0.901 273 K CB 0.501 32.360 32.500 -1.070 0.000 1.089 273 K HN 0.549 nan 8.250 nan 0.000 0.476 274 Y N -0.303 120.170 120.300 0.288 0.000 2.655 274 Y HA 0.670 5.220 4.550 0.000 0.000 0.336 274 Y C 0.563 176.533 175.900 0.116 0.000 1.154 274 Y CA -1.060 57.121 58.100 0.134 0.000 1.055 274 Y CB 2.456 40.929 38.460 0.022 0.000 1.295 274 Y HN 0.596 nan 8.280 nan 0.000 0.465 275 G N 0.080 108.935 108.800 0.092 0.000 2.730 275 G HA2 0.742 4.702 3.960 0.000 0.000 0.289 275 G HA3 0.742 4.702 3.960 0.000 0.000 0.289 275 G C -1.692 172.686 174.900 -0.870 0.000 1.341 275 G CA -0.660 44.263 45.100 -0.296 0.000 0.932 275 G HN 0.473 nan 8.290 nan 0.000 0.481 276 Q N -1.800 117.159 119.800 -1.402 0.000 2.857 276 Q HA 0.267 4.607 4.340 0.000 0.000 0.319 276 Q C 1.624 176.751 176.000 -1.456 0.000 0.963 276 Q CA -0.445 54.551 55.803 -1.344 0.000 0.770 276 Q CB 1.874 30.009 28.738 -1.004 0.000 1.492 276 Q HN 0.825 nan 8.270 nan 0.000 0.493 277 C N -0.488 118.615 119.300 -0.329 0.000 2.393 277 C HA -0.146 4.314 4.460 0.000 0.000 0.276 277 C C 2.173 177.068 174.990 -0.159 0.000 1.215 277 C CA 1.521 60.556 59.018 0.027 0.000 1.743 277 C CB -1.661 26.513 27.740 0.724 0.000 2.044 277 C HN 1.002 nan 8.230 nan 0.000 0.464 278 W N 2.213 123.469 121.300 -0.074 0.000 2.392 278 W HA 0.081 4.741 4.660 0.000 0.000 0.279 278 W C 1.787 178.112 176.519 -0.323 0.000 1.225 278 W CA 1.379 58.617 57.345 -0.178 0.000 1.233 278 W CB -1.153 28.198 29.460 -0.180 0.000 1.122 278 W HN 0.222 nan 8.180 nan 0.000 0.561 279 V N 1.316 120.504 119.914 -1.210 0.000 2.307 279 V HA -0.290 3.830 4.120 0.000 0.000 0.245 279 V C 2.347 178.231 176.094 -0.350 0.000 1.045 279 V CA 1.827 63.665 62.300 -0.769 0.000 1.024 279 V CB -1.214 30.157 31.823 -0.754 0.000 0.651 279 V HN 0.074 nan 8.190 nan 0.000 0.449 280 F N 1.412 121.202 119.950 -0.266 0.000 2.069 280 F HA -0.163 4.364 4.527 0.000 0.000 0.298 280 F C 2.572 178.304 175.800 -0.113 0.000 1.113 280 F CA 1.175 59.089 58.000 -0.144 0.000 1.214 280 F CB -1.730 37.246 39.000 -0.040 0.000 0.978 280 F HN 0.125 nan 8.300 nan 0.000 0.474 281 A N 0.027 122.906 122.820 0.099 0.000 1.933 281 A HA -0.041 4.279 4.320 0.000 0.000 0.218 281 A C 2.466 180.028 177.584 -0.036 0.000 1.175 281 A CA 1.990 54.050 52.037 0.039 0.000 0.628 281 A CB -1.298 17.719 19.000 0.028 0.000 0.814 281 A HN 0.325 nan 8.150 nan 0.000 0.444 282 A N -0.208 122.516 122.820 -0.161 0.000 1.877 282 A HA -0.021 4.299 4.320 0.000 0.000 0.216 282 A C 2.396 180.022 177.584 0.070 0.000 1.186 282 A CA 2.189 54.105 52.037 -0.201 0.000 0.620 282 A CB -1.222 17.180 19.000 -0.997 0.000 0.822 282 A HN 1.240 nan 8.150 nan 0.000 0.443 283 V N -1.870 118.072 119.914 0.046 0.000 2.548 283 V HA 0.030 4.150 4.120 0.000 0.000 0.249 283 V C 2.426 178.535 176.094 0.025 0.000 1.055 283 V CA 1.912 64.258 62.300 0.077 0.000 1.065 283 V CB -1.021 30.795 31.823 -0.012 0.000 0.681 283 V HN 0.549 nan 8.190 nan 0.000 0.462 284 A N -0.395 122.426 122.820 0.002 0.000 1.902 284 A HA -0.258 4.062 4.320 0.000 0.000 0.217 284 A C 2.505 180.076 177.584 -0.022 0.000 1.181 284 A CA 2.103 54.128 52.037 -0.019 0.000 0.623 284 A CB -1.463 17.533 19.000 -0.007 0.000 0.818 284 A HN 0.773 nan 8.150 nan 0.000 0.443 285 C N -1.164 118.118 119.300 -0.030 0.000 2.429 285 C HA -0.081 4.379 4.460 0.000 0.000 0.277 285 C C 2.941 177.856 174.990 -0.125 0.000 1.262 285 C CA 1.970 60.913 59.018 -0.125 0.000 1.733 285 C CB -1.526 26.056 27.740 -0.263 0.000 2.010 285 C HN 0.606 nan 8.230 nan 0.000 0.483 286 T N 0.479 115.046 114.554 0.022 0.000 2.652 286 T HA -0.161 4.189 4.350 0.000 0.000 0.267 286 T C 1.797 176.507 174.700 0.017 0.000 1.039 286 T CA 2.081 64.222 62.100 0.069 0.000 1.153 286 T CB -0.395 68.596 68.868 0.205 0.000 0.863 286 T HN 0.435 nan 8.240 nan 0.000 0.428 287 V N 1.580 121.505 119.914 0.019 0.000 2.255 287 V HA -0.156 3.964 4.120 0.000 0.000 0.247 287 V C 2.526 178.643 176.094 0.038 0.000 1.051 287 V CA 1.656 63.969 62.300 0.022 0.000 1.018 287 V CB -0.737 31.079 31.823 -0.012 0.000 0.641 287 V HN 0.441 nan 8.190 nan 0.000 0.445 288 L N -0.779 120.450 121.223 0.010 0.000 2.127 288 L HA -0.191 4.149 4.340 0.000 0.000 0.211 288 L C 2.762 179.655 176.870 0.039 0.000 1.089 288 L CA 1.605 56.455 54.840 0.016 0.000 0.757 288 L CB -0.584 41.463 42.059 -0.020 0.000 0.899 288 L HN 0.246 nan 8.230 nan 0.000 0.434 289 R N -1.136 119.364 120.500 0.001 0.000 2.073 289 R HA -0.141 4.199 4.340 0.000 0.000 0.229 289 R C 2.498 178.862 176.300 0.108 0.000 1.120 289 R CA 1.442 57.548 56.100 0.010 0.000 0.967 289 R CB -0.710 29.515 30.300 -0.125 0.000 0.862 289 R HN 0.433 nan 8.270 nan 0.000 0.436 290 C N 0.951 120.308 119.300 0.095 0.000 2.413 290 C HA -0.102 4.358 4.460 0.000 0.000 0.277 290 C C 2.293 177.465 174.990 0.303 0.000 1.228 290 C CA 0.699 59.853 59.018 0.226 0.000 1.731 290 C CB -0.882 26.960 27.740 0.169 0.000 2.042 290 C HN 0.357 nan 8.230 nan 0.000 0.468 291 L N 1.133 122.505 121.223 0.249 0.000 2.549 291 L HA 0.173 4.513 4.340 0.000 0.000 0.229 291 L C 2.135 179.264 176.870 0.433 0.000 1.158 291 L CA 1.961 56.995 54.840 0.324 0.000 0.842 291 L CB -1.338 40.913 42.059 0.319 0.000 0.952 291 L HN 0.715 nan 8.230 nan 0.000 0.452 292 G N -1.056 107.952 108.800 0.348 0.000 2.157 292 G HA2 -0.251 3.709 3.960 0.000 0.000 0.239 292 G HA3 -0.251 3.709 3.960 0.000 0.000 0.239 292 G C 0.447 175.470 174.900 0.206 0.000 0.982 292 G CA -0.028 45.289 45.100 0.362 0.000 0.650 292 G HN 0.279 nan 8.290 nan 0.000 0.527 293 I N 2.068 122.664 120.570 0.044 0.000 2.337 293 I HA 0.246 4.416 4.170 0.000 0.000 0.291 293 I C -2.020 174.099 176.117 0.003 0.000 1.046 293 I CA -2.194 59.037 61.300 -0.115 0.000 1.324 293 I CB 1.335 39.176 38.000 -0.264 0.000 1.409 293 I HN -0.152 nan 8.210 nan 0.000 0.494 294 P HA 0.053 nan 4.420 nan 0.000 0.262 294 P C -0.870 176.525 177.300 0.159 0.000 1.199 294 P CA 0.439 63.598 63.100 0.097 0.000 0.763 294 P CB 0.476 32.197 31.700 0.035 0.000 0.790 295 T N 3.817 118.451 114.554 0.134 0.000 2.923 295 T HA 0.621 4.971 4.350 0.000 0.000 0.311 295 T C -0.682 173.987 174.700 -0.052 0.000 1.183 295 T CA -0.971 61.175 62.100 0.078 0.000 1.020 295 T CB 1.657 70.518 68.868 -0.012 0.000 1.165 295 T HN 0.393 nan 8.240 nan 0.000 0.482 296 R N 0.058 120.456 120.500 -0.169 0.000 2.651 296 R HA 0.799 5.139 4.340 0.000 0.000 0.278 296 R C -1.186 174.987 176.300 -0.212 0.000 1.010 296 R CA -0.965 55.004 56.100 -0.220 0.000 0.896 296 R CB 1.539 31.632 30.300 -0.346 0.000 1.211 296 R HN 0.467 nan 8.270 nan 0.000 0.456 297 V N 2.946 122.772 119.914 -0.148 0.000 2.498 297 V HA 0.460 4.580 4.120 0.000 0.000 0.279 297 V C -0.608 175.375 176.094 -0.186 0.000 1.048 297 V CA -0.199 62.019 62.300 -0.137 0.000 0.967 297 V CB 1.421 33.201 31.823 -0.071 0.000 0.988 297 V HN 0.621 nan 8.190 nan 0.000 0.473 298 V N 5.404 125.119 119.914 -0.331 0.000 2.769 298 V HA 0.633 4.753 4.120 0.000 0.000 0.312 298 V C 0.245 175.976 176.094 -0.605 0.000 1.058 298 V CA -0.318 61.692 62.300 -0.484 0.000 0.952 298 V CB 2.538 33.951 31.823 -0.683 0.000 1.019 298 V HN 1.064 nan 8.190 nan 0.000 0.445 299 T N 3.249 117.481 114.554 -0.537 0.000 2.861 299 T HA 0.439 4.789 4.350 0.000 0.000 0.287 299 T C -0.778 173.536 174.700 -0.644 0.000 1.003 299 T CA -0.573 61.190 62.100 -0.561 0.000 0.977 299 T CB 1.364 69.951 68.868 -0.468 0.000 0.996 299 T HN 0.667 nan 8.240 nan 0.000 0.448 300 N N 1.356 119.690 118.700 -0.610 0.000 2.354 300 N HA 0.423 5.163 4.740 0.000 0.000 0.287 300 N C -1.769 173.614 175.510 -0.212 0.000 1.016 300 N CA -0.580 52.242 53.050 -0.381 0.000 0.871 300 N CB 0.724 39.019 38.487 -0.321 0.000 1.299 300 N HN 0.470 nan 8.380 nan 0.000 0.482 301 Y N 2.048 122.390 120.300 0.069 0.000 2.334 301 Y HA 0.337 4.887 4.550 0.000 0.000 0.328 301 Y C 0.478 176.475 175.900 0.161 0.000 1.130 301 Y CA -0.520 57.679 58.100 0.165 0.000 1.163 301 Y CB 0.951 39.475 38.460 0.108 0.000 1.207 301 Y HN 0.563 nan 8.280 nan 0.000 0.471 302 N N 0.816 119.720 118.700 0.340 0.000 2.681 302 N HA -0.211 4.529 4.740 0.000 0.000 0.259 302 N C -0.894 174.747 175.510 0.217 0.000 1.066 302 N CA 0.520 53.721 53.050 0.251 0.000 0.717 302 N CB -1.052 37.555 38.487 0.200 0.000 0.885 302 N HN 0.445 nan 8.380 nan 0.000 0.547 303 S N -0.236 115.616 115.700 0.253 0.000 2.452 303 S HA 0.639 5.109 4.470 0.000 0.000 0.284 303 S C 0.529 175.214 174.600 0.140 0.000 1.171 303 S CA -0.231 58.098 58.200 0.215 0.000 1.064 303 S CB 0.676 64.056 63.200 0.300 0.000 0.967 303 S HN 0.435 nan 8.310 nan 0.000 0.484 304 A N 4.652 127.521 122.820 0.082 0.000 3.037 304 A HA 0.285 4.605 4.320 0.000 0.000 0.272 304 A C -0.033 177.517 177.584 -0.057 0.000 1.723 304 A CA -0.132 51.922 52.037 0.028 0.000 1.413 304 A CB -0.758 18.244 19.000 0.002 0.000 1.112 304 A HN 0.938 nan 8.150 nan 0.000 0.606 305 H N 0.437 119.297 119.070 -0.349 0.000 2.496 305 H HA 0.359 4.915 4.556 0.000 0.000 0.342 305 H C 0.452 175.505 175.328 -0.459 0.000 1.170 305 H CA 0.214 55.905 56.048 -0.595 0.000 1.274 305 H CB 0.772 29.692 29.762 -1.403 0.000 1.538 305 H HN 0.574 nan 8.280 nan 0.000 0.542 306 D N 1.086 120.964 120.400 -0.869 0.000 3.059 306 D HA -0.192 4.448 4.640 0.000 0.000 0.220 306 D C -0.646 175.545 176.300 -0.181 0.000 1.169 306 D CA 0.779 54.493 54.000 -0.477 0.000 0.902 306 D CB -0.325 40.288 40.800 -0.312 0.000 1.116 306 D HN 0.569 nan 8.370 nan 0.000 0.417 307 Q N 0.089 119.803 119.800 -0.144 0.000 2.222 307 Q HA 0.231 4.571 4.340 0.000 0.000 0.252 307 Q C 0.740 176.692 176.000 -0.081 0.000 0.926 307 Q CA -0.440 55.314 55.803 -0.082 0.000 0.899 307 Q CB 0.675 29.365 28.738 -0.079 0.000 1.250 307 Q HN 0.051 nan 8.270 nan 0.000 0.441 308 N N 1.492 120.151 118.700 -0.069 0.000 3.210 308 N HA -0.077 4.663 4.740 0.000 0.000 0.314 308 N C -0.145 175.181 175.510 -0.306 0.000 1.291 308 N CA 0.576 53.588 53.050 -0.063 0.000 1.202 308 N CB -0.244 38.231 38.487 -0.021 0.000 1.475 308 N HN 0.740 nan 8.380 nan 0.000 0.554 309 S N -0.596 114.846 115.700 -0.430 0.000 3.382 309 S HA -0.276 4.194 4.470 0.000 0.000 0.293 309 S C 0.107 174.510 174.600 -0.328 0.000 1.262 309 S CA 0.844 58.684 58.200 -0.600 0.000 0.969 309 S CB -2.389 60.069 63.200 -1.236 0.000 1.136 309 S HN 0.658 nan 8.310 nan 0.000 0.635 310 N N 1.218 119.786 118.700 -0.220 0.000 2.483 310 N HA 0.358 5.098 4.740 0.000 0.000 0.264 310 N C 0.880 176.309 175.510 -0.135 0.000 1.197 310 N CA 0.180 53.140 53.050 -0.149 0.000 0.927 310 N CB 0.235 38.659 38.487 -0.105 0.000 1.065 310 N HN 0.519 nan 8.380 nan 0.000 0.461 311 L N 2.869 124.020 121.223 -0.119 0.000 2.607 311 L HA 0.251 4.591 4.340 0.000 0.000 0.228 311 L C 0.146 177.004 176.870 -0.020 0.000 1.123 311 L CA 0.062 54.824 54.840 -0.130 0.000 0.890 311 L CB 0.045 41.965 42.059 -0.232 0.000 1.103 311 L HN 0.456 nan 8.230 nan 0.000 0.468 312 L N 1.512 122.723 121.223 -0.020 0.000 2.529 312 L HA 0.479 4.819 4.340 0.000 0.000 0.260 312 L C -0.991 175.854 176.870 -0.042 0.000 0.997 312 L CA -0.214 54.626 54.840 -0.000 0.000 0.885 312 L CB 1.457 43.534 42.059 0.030 0.000 1.185 312 L HN -0.018 nan 8.230 nan 0.000 0.442 313 I N 3.761 124.281 120.570 -0.084 0.000 2.331 313 I HA 0.326 4.496 4.170 0.000 0.000 0.292 313 I C 0.032 175.972 176.117 -0.294 0.000 0.998 313 I CA -0.284 60.899 61.300 -0.195 0.000 1.267 313 I CB 1.664 39.541 38.000 -0.204 0.000 1.386 313 I HN 0.498 nan 8.210 nan 0.000 0.476 314 E N 5.673 125.672 120.200 -0.334 0.000 2.222 314 E HA 0.516 4.866 4.350 0.000 0.000 0.267 314 E C -1.640 174.678 176.600 -0.472 0.000 0.884 314 E CA -0.747 55.482 56.400 -0.285 0.000 0.764 314 E CB 2.322 32.053 29.700 0.052 0.000 1.169 314 E HN 0.391 nan 8.360 nan 0.000 0.413 315 Y N 0.901 121.120 120.300 -0.136 0.000 2.485 315 Y HA 0.471 5.021 4.550 0.000 0.000 0.345 315 Y C -0.687 175.013 175.900 -0.334 0.000 0.998 315 Y CA -1.070 56.978 58.100 -0.086 0.000 1.059 315 Y CB 1.431 39.879 38.460 -0.020 0.000 1.234 315 Y HN 0.415 nan 8.280 nan 0.000 0.461 316 F N 2.061 122.201 119.950 0.317 0.000 2.449 316 F HA 0.623 5.150 4.527 0.000 0.000 0.342 316 F C -0.090 175.808 175.800 0.162 0.000 1.127 316 F CA -0.947 57.187 58.000 0.224 0.000 0.975 316 F CB 1.403 40.470 39.000 0.112 0.000 1.146 316 F HN 0.269 nan 8.300 nan 0.000 0.444 317 R N 1.518 122.154 120.500 0.227 0.000 2.787 317 R HA 0.457 4.797 4.340 0.000 0.000 0.271 317 R C -0.144 176.237 176.300 0.135 0.000 0.993 317 R CA -1.122 55.069 56.100 0.153 0.000 0.993 317 R CB 1.248 31.607 30.300 0.098 0.000 1.155 317 R HN 0.687 nan 8.270 nan 0.000 0.486 318 N N 0.323 119.099 118.700 0.128 0.000 2.443 318 N HA -0.089 4.651 4.740 0.000 0.000 0.294 318 N C 0.645 176.222 175.510 0.111 0.000 1.289 318 N CA -0.380 52.745 53.050 0.126 0.000 0.966 318 N CB 0.107 38.687 38.487 0.154 0.000 1.122 318 N HN 0.665 nan 8.380 nan 0.000 0.569 319 E N -0.857 119.405 120.200 0.104 0.000 2.472 319 E HA -0.138 4.212 4.350 0.000 0.000 0.200 319 E C 0.082 176.604 176.600 -0.131 0.000 1.046 319 E CA 0.922 57.314 56.400 -0.013 0.000 0.871 319 E CB -0.500 29.144 29.700 -0.094 0.000 0.806 319 E HN 0.602 nan 8.360 nan 0.000 0.533 320 F N 0.086 120.019 119.950 -0.028 0.000 2.678 320 F HA 0.385 4.912 4.527 0.000 0.000 0.305 320 F C 1.652 177.460 175.800 0.014 0.000 1.090 320 F CA 0.343 58.310 58.000 -0.055 0.000 1.272 320 F CB 1.068 39.997 39.000 -0.119 0.000 1.060 320 F HN 0.188 nan 8.300 nan 0.000 0.576 321 G N 0.749 109.660 108.800 0.185 0.000 2.157 321 G HA2 -0.311 3.649 3.960 0.000 0.000 0.248 321 G HA3 -0.311 3.649 3.960 0.000 0.000 0.248 321 G C 0.192 175.161 174.900 0.115 0.000 0.979 321 G CA 0.039 45.217 45.100 0.131 0.000 0.650 321 G HN 0.398 nan 8.290 nan 0.000 0.529 322 E N 0.543 120.823 120.200 0.133 0.000 2.257 322 E HA 0.431 4.781 4.350 0.000 0.000 0.278 322 E C 0.850 177.496 176.600 0.077 0.000 1.049 322 E CA -0.802 55.648 56.400 0.083 0.000 0.876 322 E CB 0.196 29.932 29.700 0.060 0.000 1.035 322 E HN 0.369 nan 8.360 nan 0.000 0.419 323 I N 4.543 125.141 120.570 0.046 0.000 2.741 323 I HA -0.119 4.051 4.170 0.000 0.000 0.288 323 I C 0.519 176.692 176.117 0.093 0.000 1.192 323 I CA 0.299 61.639 61.300 0.067 0.000 1.426 323 I CB 0.529 38.518 38.000 -0.019 0.000 1.367 323 I HN 0.417 nan 8.210 nan 0.000 0.563 324 Q N 6.320 126.208 119.800 0.147 0.000 2.369 324 Q HA 0.214 4.554 4.340 0.000 0.000 0.247 324 Q C 0.447 176.518 176.000 0.118 0.000 1.083 324 Q CA -0.198 55.678 55.803 0.122 0.000 0.905 324 Q CB 0.928 29.744 28.738 0.129 0.000 1.305 324 Q HN 0.797 nan 8.270 nan 0.000 0.465 325 G N 3.326 112.173 108.800 0.077 0.000 2.707 325 G HA2 0.122 4.082 3.960 0.000 0.000 0.231 325 G HA3 0.122 4.082 3.960 0.000 0.000 0.231 325 G C 0.303 175.240 174.900 0.061 0.000 1.246 325 G CA 0.559 45.697 45.100 0.064 0.000 0.852 325 G HN 0.799 nan 8.290 nan 0.000 0.584 326 D N -0.708 119.726 120.400 0.057 0.000 5.300 326 D HA -0.082 4.558 4.640 0.000 0.000 0.374 326 D C 0.641 176.969 176.300 0.046 0.000 1.838 326 D CA -0.452 53.575 54.000 0.045 0.000 1.058 326 D CB -0.593 40.235 40.800 0.047 0.000 1.481 326 D HN 0.329 nan 8.370 nan 0.000 0.678 327 K N 0.296 120.724 120.400 0.046 0.000 2.393 327 K HA 0.362 4.682 4.320 0.000 0.000 0.193 327 K C 0.544 177.183 176.600 0.065 0.000 1.026 327 K CA 0.095 56.406 56.287 0.041 0.000 1.064 327 K CB 0.265 32.779 32.500 0.023 0.000 0.833 327 K HN 0.207 nan 8.250 nan 0.000 0.521 328 S N 1.649 117.413 115.700 0.107 0.000 2.533 328 S HA 0.025 4.495 4.470 0.000 0.000 0.282 328 S C -0.141 174.572 174.600 0.189 0.000 1.304 328 S CA -0.351 57.946 58.200 0.162 0.000 1.063 328 S CB 0.457 63.817 63.200 0.267 0.000 0.881 328 S HN 0.203 nan 8.310 nan 0.000 0.493 329 E N 3.478 123.790 120.200 0.186 0.000 2.266 329 E HA 0.277 4.627 4.350 0.000 0.000 0.277 329 E C -0.311 176.466 176.600 0.294 0.000 1.018 329 E CA -0.529 55.983 56.400 0.187 0.000 0.840 329 E CB 0.466 30.251 29.700 0.142 0.000 1.082 329 E HN 0.385 nan 8.360 nan 0.000 0.395 330 M N 3.316 123.039 119.600 0.205 0.000 2.255 330 M HA 0.243 4.723 4.480 0.000 0.000 0.336 330 M C 0.044 176.509 176.300 0.275 0.000 1.135 330 M CA -0.742 54.649 55.300 0.150 0.000 1.145 330 M CB 0.423 33.016 32.600 -0.012 0.000 1.473 330 M HN 0.514 nan 8.290 nan 0.000 0.462 331 I N 1.597 122.310 120.570 0.238 0.000 2.648 331 I HA -0.054 4.116 4.170 0.000 0.000 0.284 331 I C -0.299 176.023 176.117 0.343 0.000 1.153 331 I CA -0.237 61.236 61.300 0.288 0.000 1.426 331 I CB -0.023 38.104 38.000 0.212 0.000 1.381 331 I HN 0.530 nan 8.210 nan 0.000 0.571 332 W N 5.815 127.130 121.300 0.025 0.000 2.238 332 W HA 0.205 4.865 4.660 0.000 0.000 0.321 332 W C 1.473 178.015 176.519 0.040 0.000 1.293 332 W CA -0.475 56.846 57.345 -0.040 0.000 1.204 332 W CB -0.381 29.026 29.460 -0.089 0.000 1.167 332 W HN 0.480 nan 8.180 nan 0.000 0.553 333 N N 1.664 120.469 118.700 0.174 0.000 2.137 333 N HA -0.119 4.621 4.740 0.000 0.000 0.190 333 N C -0.261 175.529 175.510 0.467 0.000 1.017 333 N CA 1.668 54.883 53.050 0.274 0.000 0.859 333 N CB -0.240 38.390 38.487 0.238 0.000 1.002 333 N HN 0.321 nan 8.380 nan 0.000 0.428 334 F N -3.444 116.735 119.950 0.382 0.000 2.725 334 F HA 0.547 5.074 4.527 0.000 0.000 0.309 334 F C -1.321 174.779 175.800 0.501 0.000 1.132 334 F CA -1.393 56.732 58.000 0.208 0.000 0.957 334 F CB 0.906 39.814 39.000 -0.153 0.000 1.286 334 F HN -0.143 nan 8.300 nan 0.000 0.440 335 H N 1.066 120.396 119.070 0.434 0.000 2.894 335 H HA 0.777 5.333 4.556 0.000 0.000 0.367 335 H C -1.759 173.727 175.328 0.264 0.000 1.144 335 H CA -1.212 55.084 56.048 0.412 0.000 1.180 335 H CB 1.928 31.768 29.762 0.129 0.000 1.758 335 H HN 1.107 nan 8.280 nan 0.000 0.541 336 C N 4.322 123.530 119.300 -0.154 0.000 2.493 336 C HA 0.771 5.231 4.460 0.000 0.000 0.326 336 C C -0.896 173.955 174.990 -0.231 0.000 1.200 336 C CA -0.470 58.395 59.018 -0.256 0.000 1.739 336 C CB -0.541 27.223 27.740 0.040 0.000 2.300 336 C HN 0.899 nan 8.230 nan 0.000 0.500 337 W N 1.000 122.139 121.300 -0.268 0.000 2.940 337 W HA 0.763 5.423 4.660 0.000 0.000 0.394 337 W C -1.104 175.354 176.519 -0.102 0.000 1.155 337 W CA -0.964 56.282 57.345 -0.165 0.000 1.165 337 W CB -0.178 29.187 29.460 -0.158 0.000 1.492 337 W HN 0.658 nan 8.180 nan 0.000 0.593 338 V N -1.366 118.715 119.914 0.279 0.000 3.103 338 V HA 0.780 4.900 4.120 0.000 0.000 0.318 338 V C -0.927 175.286 176.094 0.198 0.000 1.114 338 V CA -1.147 61.217 62.300 0.106 0.000 1.020 338 V CB 1.884 33.732 31.823 0.041 0.000 1.085 338 V HN 0.739 nan 8.190 nan 0.000 0.446 339 E N 0.952 121.186 120.200 0.057 0.000 2.234 339 E HA 0.643 4.993 4.350 0.000 0.000 0.266 339 E C -1.276 175.481 176.600 0.260 0.000 0.877 339 E CA -0.533 55.947 56.400 0.134 0.000 0.758 339 E CB 2.299 31.934 29.700 -0.108 0.000 1.170 339 E HN 0.815 nan 8.360 nan 0.000 0.415 340 S N 2.204 118.119 115.700 0.357 0.000 2.500 340 S HA 0.334 4.804 4.470 0.000 0.000 0.301 340 S C -1.377 173.375 174.600 0.253 0.000 1.092 340 S CA -0.811 57.573 58.200 0.306 0.000 1.030 340 S CB 1.110 64.365 63.200 0.092 0.000 1.031 340 S HN 0.456 nan 8.310 nan 0.000 0.483 341 W N 6.936 128.115 121.300 -0.201 0.000 2.331 341 W HA 0.588 5.248 4.660 0.000 0.000 0.306 341 W C -0.840 175.476 176.519 -0.337 0.000 1.162 341 W CA -0.575 56.421 57.345 -0.582 0.000 1.232 341 W CB 0.506 29.337 29.460 -1.049 0.000 1.235 341 W HN 0.777 nan 8.180 nan 0.000 0.479 342 M N 3.851 122.994 119.600 -0.763 0.000 3.012 342 M HA 0.321 4.801 4.480 0.000 0.000 0.272 342 M C -1.360 174.639 176.300 -0.503 0.000 1.187 342 M CA -0.713 54.291 55.300 -0.492 0.000 0.813 342 M CB 1.919 34.369 32.600 -0.251 0.000 1.626 342 M HN 0.107 nan 8.290 nan 0.000 0.507 343 T N 0.266 114.652 114.554 -0.279 0.000 2.918 343 T HA 0.600 4.950 4.350 0.000 0.000 0.283 343 T C -0.544 174.090 174.700 -0.110 0.000 1.001 343 T CA -0.520 61.459 62.100 -0.202 0.000 1.041 343 T CB 0.720 69.521 68.868 -0.111 0.000 1.028 343 T HN 0.635 nan 8.240 nan 0.000 0.511 344 R N 3.785 124.245 120.500 -0.068 0.000 2.587 344 R HA 0.258 4.598 4.340 0.000 0.000 0.283 344 R C -1.878 174.427 176.300 0.009 0.000 1.472 344 R CA -2.105 53.988 56.100 -0.012 0.000 1.578 344 R CB 1.002 31.311 30.300 0.015 0.000 1.130 344 R HN 0.594 nan 8.270 nan 0.000 0.602 345 P HA -0.125 nan 4.420 nan 0.000 0.226 345 P C 0.368 177.679 177.300 0.019 0.000 1.153 345 P CA 0.925 64.032 63.100 0.013 0.000 0.777 345 P CB 0.337 32.049 31.700 0.020 0.000 0.794 346 D N -0.531 119.886 120.400 0.029 0.000 2.324 346 D HA 0.025 4.665 4.640 0.000 0.000 0.235 346 D C 0.641 176.941 176.300 0.001 0.000 1.095 346 D CA 0.191 54.204 54.000 0.021 0.000 0.871 346 D CB -0.306 40.520 40.800 0.043 0.000 0.906 346 D HN 0.230 nan 8.370 nan 0.000 0.522 347 L N -0.967 120.267 121.223 0.018 0.000 2.301 347 L HA 0.269 4.609 4.340 0.000 0.000 0.249 347 L C 0.147 177.033 176.870 0.025 0.000 1.069 347 L CA -1.386 53.477 54.840 0.038 0.000 0.865 347 L CB 1.150 43.277 42.059 0.113 0.000 1.467 347 L HN -0.280 nan 8.230 nan 0.000 0.419 348 Q N 1.976 121.789 119.800 0.021 0.000 2.386 348 Q HA 0.148 4.488 4.340 0.000 0.000 0.282 348 Q C -2.256 173.677 176.000 -0.112 0.000 1.050 348 Q CA -1.185 54.581 55.803 -0.062 0.000 0.918 348 Q CB -0.283 28.384 28.738 -0.118 0.000 1.266 348 Q HN 0.235 nan 8.270 nan 0.000 0.423 349 P HA 0.030 nan 4.420 nan 0.000 0.269 349 P C 0.460 177.640 177.300 -0.200 0.000 1.215 349 P CA 0.579 63.611 63.100 -0.114 0.000 0.780 349 P CB 0.505 32.155 31.700 -0.083 0.000 0.898 350 G N 0.962 109.669 108.800 -0.154 0.000 2.176 350 G HA2 -0.258 3.702 3.960 0.000 0.000 0.232 350 G HA3 -0.258 3.702 3.960 0.000 0.000 0.232 350 G C 0.135 174.946 174.900 -0.148 0.000 0.986 350 G CA -0.317 44.676 45.100 -0.179 0.000 0.643 350 G HN 0.455 nan 8.290 nan 0.000 0.522 351 Y N 2.498 122.753 120.300 -0.075 0.000 2.645 351 Y HA 0.301 4.851 4.550 0.000 0.000 0.307 351 Y C 1.344 177.148 175.900 -0.161 0.000 1.151 351 Y CA -0.616 57.427 58.100 -0.094 0.000 1.291 351 Y CB -0.051 38.365 38.460 -0.072 0.000 1.135 351 Y HN 0.550 nan 8.280 nan 0.000 0.523 352 E N -0.489 119.674 120.200 -0.062 0.000 2.371 352 E HA 0.544 4.894 4.350 0.000 0.000 0.257 352 E C 0.777 177.098 176.600 -0.465 0.000 1.134 352 E CA 0.395 56.632 56.400 -0.273 0.000 0.919 352 E CB 1.809 31.344 29.700 -0.274 0.000 1.025 352 E HN 0.296 nan 8.360 nan 0.000 0.438 353 G N 0.518 108.721 108.800 -0.995 0.000 2.255 353 G HA2 -0.148 3.812 3.960 0.000 0.000 0.216 353 G HA3 -0.148 3.812 3.960 0.000 0.000 0.216 353 G C -1.581 172.675 174.900 -1.074 0.000 1.307 353 G CA -0.556 43.636 45.100 -1.514 0.000 1.162 353 G HN 0.519 nan 8.290 nan 0.000 0.494 354 W N 1.888 123.057 121.300 -0.219 0.000 2.238 354 W HA 0.608 5.268 4.660 0.000 0.000 0.321 354 W C 0.314 176.767 176.519 -0.110 0.000 1.293 354 W CA -0.199 57.130 57.345 -0.026 0.000 1.204 354 W CB 0.998 30.497 29.460 0.065 0.000 1.167 354 W HN 0.312 nan 8.180 nan 0.000 0.553 355 Q N 2.566 122.494 119.800 0.214 0.000 2.330 355 Q HA 0.502 4.842 4.340 0.000 0.000 0.269 355 Q C -0.462 175.635 176.000 0.160 0.000 1.022 355 Q CA -0.829 55.032 55.803 0.097 0.000 0.796 355 Q CB 1.770 30.521 28.738 0.023 0.000 1.271 355 Q HN 0.545 nan 8.270 nan 0.000 0.450 356 A N 3.848 126.753 122.820 0.142 0.000 2.362 356 A HA 0.553 4.873 4.320 0.000 0.000 0.276 356 A C -0.428 177.197 177.584 0.067 0.000 1.153 356 A CA -0.242 51.907 52.037 0.187 0.000 0.813 356 A CB 0.250 19.355 19.000 0.174 0.000 1.081 356 A HN 0.695 nan 8.150 nan 0.000 0.507 357 L N 3.005 124.293 121.223 0.108 0.000 2.343 357 L HA 0.314 4.654 4.340 0.000 0.000 0.278 357 L C -0.935 175.973 176.870 0.064 0.000 0.996 357 L CA -0.604 54.260 54.840 0.039 0.000 0.831 357 L CB 1.845 43.929 42.059 0.042 0.000 1.232 357 L HN 0.706 nan 8.230 nan 0.000 0.413 358 D N 6.239 126.632 120.400 -0.012 0.000 2.485 358 D HA 0.233 4.873 4.640 0.000 0.000 0.229 358 D C -1.634 174.718 176.300 0.085 0.000 1.101 358 D CA -1.880 52.158 54.000 0.064 0.000 0.906 358 D CB 1.582 42.365 40.800 -0.028 0.000 1.019 358 D HN 0.221 nan 8.370 nan 0.000 0.516 359 P HA -0.024 nan 4.420 nan 0.000 0.239 359 P C -0.094 177.251 177.300 0.075 0.000 1.184 359 P CA 0.130 63.261 63.100 0.053 0.000 0.760 359 P CB 0.021 31.747 31.700 0.044 0.000 0.884 360 T N 4.392 119.097 114.554 0.252 0.000 2.727 360 T HA 0.264 4.614 4.350 0.000 0.000 0.298 360 T C -2.346 172.469 174.700 0.192 0.000 0.942 360 T CA -1.509 60.810 62.100 0.364 0.000 0.997 360 T CB 0.707 69.930 68.868 0.592 0.000 0.917 360 T HN 0.125 nan 8.240 nan 0.000 0.487 361 P HA 0.101 nan 4.420 nan 0.000 0.271 361 P C -0.753 176.522 177.300 -0.041 0.000 1.216 361 P CA -0.319 62.765 63.100 -0.026 0.000 0.771 361 P CB 0.651 32.300 31.700 -0.085 0.000 0.864 362 Q N 0.703 120.414 119.800 -0.149 0.000 2.451 362 Q HA 0.399 4.739 4.340 0.000 0.000 0.281 362 Q C -0.555 175.324 176.000 -0.202 0.000 1.099 362 Q CA -1.106 54.555 55.803 -0.237 0.000 0.806 362 Q CB 1.671 30.138 28.738 -0.453 0.000 1.419 362 Q HN 0.392 nan 8.270 nan 0.000 0.427 363 E N 1.576 121.689 120.200 -0.145 0.000 2.415 363 E HA 0.040 4.390 4.350 0.000 0.000 0.260 363 E C -1.012 175.602 176.600 0.024 0.000 1.016 363 E CA 0.397 56.759 56.400 -0.062 0.000 0.924 363 E CB 0.589 30.266 29.700 -0.037 0.000 0.961 363 E HN 0.369 nan 8.360 nan 0.000 0.459 364 K N 1.608 122.023 120.400 0.026 0.000 2.313 364 K HA 0.195 4.515 4.320 0.000 0.000 0.235 364 K C 1.324 178.025 176.600 0.169 0.000 1.035 364 K CA -0.170 56.202 56.287 0.140 0.000 0.868 364 K CB 1.303 33.784 32.500 -0.032 0.000 1.232 364 K HN 0.569 nan 8.250 nan 0.000 0.459 365 S N 0.428 116.263 115.700 0.225 0.000 2.392 365 S HA -0.233 4.237 4.470 0.000 0.000 0.232 365 S C 0.333 174.987 174.600 0.090 0.000 1.041 365 S CA 1.373 59.651 58.200 0.130 0.000 1.026 365 S CB -0.562 62.710 63.200 0.120 0.000 0.845 365 S HN 0.714 nan 8.310 nan 0.000 0.465 366 E N 0.122 120.383 120.200 0.101 0.000 3.352 366 E HA 0.583 4.933 4.350 0.000 0.000 0.254 366 E C 0.144 176.842 176.600 0.163 0.000 1.229 366 E CA -0.591 55.867 56.400 0.096 0.000 0.949 366 E CB 0.445 30.186 29.700 0.069 0.000 1.373 366 E HN 0.475 nan 8.360 nan 0.000 0.392 367 G N 0.809 109.690 108.800 0.134 0.000 2.408 367 G HA2 -0.082 3.878 3.960 0.000 0.000 0.682 367 G HA3 -0.082 3.878 3.960 0.000 0.000 0.682 367 G C -0.749 174.157 174.900 0.011 0.000 1.303 367 G CA -0.709 44.468 45.100 0.127 0.000 0.966 367 G HN 0.157 nan 8.290 nan 0.000 0.560 368 T N 1.553 115.950 114.554 -0.263 0.000 2.912 368 T HA 0.664 5.014 4.350 0.000 0.000 0.326 368 T C -1.099 173.246 174.700 -0.592 0.000 1.080 368 T CA -0.029 61.893 62.100 -0.297 0.000 1.000 368 T CB 0.355 69.088 68.868 -0.225 0.000 1.008 368 T HN 0.512 nan 8.240 nan 0.000 0.473 369 Y N 0.402 120.618 120.300 -0.140 0.000 2.634 369 Y HA 0.567 5.117 4.550 0.000 0.000 0.340 369 Y C 1.111 176.901 175.900 -0.184 0.000 1.058 369 Y CA -1.422 56.592 58.100 -0.144 0.000 1.081 369 Y CB 0.814 39.189 38.460 -0.140 0.000 1.295 369 Y HN 0.726 nan 8.280 nan 0.000 0.487 370 C N -1.114 118.189 119.300 0.005 0.000 2.641 370 C HA 0.760 5.220 4.460 0.000 0.000 0.318 370 C C 0.168 175.090 174.990 -0.113 0.000 1.490 370 C CA -0.964 58.018 59.018 -0.061 0.000 2.260 370 C CB -0.131 27.576 27.740 -0.053 0.000 2.103 370 C HN 0.779 nan 8.230 nan 0.000 0.641 371 C N 0.207 119.433 119.300 -0.123 0.000 2.889 371 C HA 0.961 5.421 4.460 0.000 0.000 0.307 371 C C 0.723 175.653 174.990 -0.100 0.000 1.251 371 C CA 0.900 59.830 59.018 -0.147 0.000 1.593 371 C CB 0.612 28.238 27.740 -0.191 0.000 2.104 371 C HN 1.974 nan 8.230 nan 0.000 0.476 372 G N 2.599 111.368 108.800 -0.051 0.000 2.725 372 G HA2 -0.060 3.900 3.960 0.000 0.000 0.220 372 G HA3 -0.060 3.900 3.960 0.000 0.000 0.220 372 G C -3.091 171.763 174.900 -0.077 0.000 1.357 372 G CA -0.723 44.376 45.100 -0.003 0.000 0.866 372 G HN 0.647 nan 8.290 nan 0.000 0.548 373 P HA 0.476 nan 4.420 nan 0.000 0.276 373 P C -0.473 176.902 177.300 0.125 0.000 1.230 373 P CA -0.031 63.104 63.100 0.058 0.000 0.776 373 P CB 1.798 33.524 31.700 0.042 0.000 0.888 374 V N 4.829 124.770 119.914 0.045 0.000 2.656 374 V HA 0.473 4.593 4.120 0.000 0.000 0.307 374 V C -2.662 173.390 176.094 -0.071 0.000 1.051 374 V CA -2.969 59.322 62.300 -0.015 0.000 0.893 374 V CB 2.287 34.102 31.823 -0.013 0.000 0.999 374 V HN 0.365 nan 8.190 nan 0.000 0.426 375 P HA 0.170 nan 4.420 nan 0.000 0.271 375 P C 0.811 177.996 177.300 -0.192 0.000 1.220 375 P CA 0.076 63.044 63.100 -0.219 0.000 0.768 375 P CB 1.167 32.593 31.700 -0.457 0.000 0.848 376 V N 4.309 124.147 119.914 -0.126 0.000 2.343 376 V HA -0.240 3.880 4.120 0.000 0.000 0.247 376 V C 2.410 178.382 176.094 -0.203 0.000 1.051 376 V CA 1.717 63.881 62.300 -0.227 0.000 1.036 376 V CB -0.909 30.691 31.823 -0.372 0.000 0.654 376 V HN 0.635 nan 8.190 nan 0.000 0.451 377 R N -0.187 120.241 120.500 -0.120 0.000 2.159 377 R HA -0.171 4.169 4.340 0.000 0.000 0.237 377 R C 2.297 178.591 176.300 -0.010 0.000 1.131 377 R CA 1.434 57.519 56.100 -0.025 0.000 0.982 377 R CB -0.342 30.027 30.300 0.115 0.000 0.868 377 R HN 0.550 nan 8.270 nan 0.000 0.453 378 A N 1.047 123.736 122.820 -0.218 0.000 1.898 378 A HA -0.130 4.190 4.320 0.000 0.000 0.216 378 A C 1.965 179.530 177.584 -0.032 0.000 1.181 378 A CA 1.005 52.890 52.037 -0.252 0.000 0.620 378 A CB -0.298 18.332 19.000 -0.616 0.000 0.819 378 A HN 0.175 nan 8.150 nan 0.000 0.442 379 I N 0.165 120.735 120.570 0.001 0.000 2.226 379 I HA -0.213 3.957 4.170 0.000 0.000 0.245 379 I C 2.342 178.631 176.117 0.287 0.000 1.100 379 I CA 1.937 63.354 61.300 0.196 0.000 1.374 379 I CB -1.185 36.943 38.000 0.214 0.000 1.057 379 I HN 0.453 nan 8.210 nan 0.000 0.413 380 K N 0.900 121.373 120.400 0.122 0.000 2.097 380 K HA -0.207 4.113 4.320 0.000 0.000 0.205 380 K C 1.850 178.575 176.600 0.209 0.000 1.050 380 K CA 1.393 57.734 56.287 0.090 0.000 0.938 380 K CB 0.111 32.528 32.500 -0.138 0.000 0.718 380 K HN 0.022 nan 8.250 nan 0.000 0.442 381 E N -0.813 119.515 120.200 0.215 0.000 2.435 381 E HA 0.052 4.402 4.350 0.000 0.000 0.195 381 E C 0.668 177.413 176.600 0.242 0.000 1.029 381 E CA 0.822 57.389 56.400 0.278 0.000 0.865 381 E CB 0.479 30.326 29.700 0.245 0.000 0.833 381 E HN 0.546 nan 8.360 nan 0.000 0.510 382 G N 1.158 110.076 108.800 0.197 0.000 2.143 382 G HA2 -0.283 3.677 3.960 0.000 0.000 0.249 382 G HA3 -0.283 3.677 3.960 0.000 0.000 0.249 382 G C 0.104 174.939 174.900 -0.109 0.000 0.981 382 G CA 0.283 45.370 45.100 -0.021 0.000 0.665 382 G HN 0.309 nan 8.290 nan 0.000 0.528 383 D N 0.689 121.078 120.400 -0.018 0.000 2.688 383 D HA 0.350 4.990 4.640 0.000 0.000 0.228 383 D C 1.873 178.125 176.300 -0.081 0.000 1.116 383 D CA -0.594 53.400 54.000 -0.009 0.000 1.023 383 D CB -0.178 40.688 40.800 0.111 0.000 1.100 383 D HN 0.077 nan 8.370 nan 0.000 0.487 384 L N 1.303 122.429 121.223 -0.160 0.000 2.549 384 L HA -0.115 4.225 4.340 0.000 0.000 0.230 384 L C 2.345 179.153 176.870 -0.103 0.000 1.162 384 L CA 1.000 55.737 54.840 -0.171 0.000 0.834 384 L CB -0.949 40.953 42.059 -0.262 0.000 0.947 384 L HN 0.302 nan 8.230 nan 0.000 0.452 385 S N -3.767 111.890 115.700 -0.072 0.000 2.527 385 S HA 0.034 4.504 4.470 0.000 0.000 0.222 385 S C 1.065 175.631 174.600 -0.058 0.000 0.985 385 S CA -0.128 58.039 58.200 -0.054 0.000 0.921 385 S CB -0.717 62.461 63.200 -0.036 0.000 0.772 385 S HN 0.350 nan 8.310 nan 0.000 0.529 386 T N 3.434 117.951 114.554 -0.062 0.000 2.932 386 T HA 0.214 4.564 4.350 0.000 0.000 0.312 386 T C 0.035 174.653 174.700 -0.137 0.000 1.071 386 T CA 0.067 62.111 62.100 -0.092 0.000 1.128 386 T CB 0.499 69.271 68.868 -0.159 0.000 0.984 386 T HN 0.362 nan 8.240 nan 0.000 0.549 387 K N 1.496 121.765 120.400 -0.218 0.000 2.098 387 K HA 0.433 4.753 4.320 0.000 0.000 0.261 387 K C -1.019 175.444 176.600 -0.229 0.000 0.987 387 K CA -0.460 55.599 56.287 -0.379 0.000 0.916 387 K CB 0.771 32.759 32.500 -0.853 0.000 1.039 387 K HN 0.525 nan 8.250 nan 0.000 0.455 388 Y N 0.724 120.995 120.300 -0.048 0.000 2.393 388 Y HA 0.128 4.678 4.550 0.000 0.000 0.341 388 Y C -0.083 175.800 175.900 -0.028 0.000 0.988 388 Y CA -0.569 57.509 58.100 -0.037 0.000 1.078 388 Y CB 1.513 39.943 38.460 -0.049 0.000 1.203 388 Y HN 0.707 nan 8.280 nan 0.000 0.453 389 D N 0.905 121.395 120.400 0.149 0.000 2.981 389 D HA -0.246 4.394 4.640 0.000 0.000 0.223 389 D C 1.259 177.666 176.300 0.179 0.000 1.151 389 D CA 0.818 54.925 54.000 0.178 0.000 0.827 389 D CB -1.034 39.809 40.800 0.071 0.000 1.101 389 D HN 0.759 nan 8.370 nan 0.000 0.426 390 A N 0.608 123.478 122.820 0.082 0.000 1.927 390 A HA -0.169 4.151 4.320 0.000 0.000 0.220 390 A C 0.283 177.907 177.584 0.066 0.000 1.185 390 A CA 2.112 54.174 52.037 0.042 0.000 0.639 390 A CB -1.060 17.920 19.000 -0.033 0.000 0.820 390 A HN 0.366 nan 8.150 nan 0.000 0.451 391 P HA -0.123 nan 4.420 nan 0.000 0.220 391 P C 1.116 178.354 177.300 -0.103 0.000 1.148 391 P CA 0.912 63.967 63.100 -0.076 0.000 0.803 391 P CB -0.217 31.363 31.700 -0.200 0.000 0.782 392 F N 0.062 119.993 119.950 -0.032 0.000 2.128 392 F HA -0.109 4.418 4.527 0.000 0.000 0.295 392 F C 2.607 178.347 175.800 -0.100 0.000 1.100 392 F CA 1.028 58.981 58.000 -0.077 0.000 1.260 392 F CB -1.323 37.614 39.000 -0.105 0.000 1.009 392 F HN -0.313 nan 8.300 nan 0.000 0.476 393 V N -0.326 119.639 119.914 0.084 0.000 2.407 393 V HA -0.312 3.808 4.120 0.000 0.000 0.248 393 V C 2.114 178.216 176.094 0.014 0.000 1.055 393 V CA 1.664 63.916 62.300 -0.080 0.000 1.049 393 V CB -0.863 30.895 31.823 -0.108 0.000 0.662 393 V HN 0.314 nan 8.190 nan 0.000 0.455 394 F N 1.511 121.433 119.950 -0.047 0.000 2.161 394 F HA -0.201 4.326 4.527 0.000 0.000 0.300 394 F C 2.232 177.973 175.800 -0.098 0.000 1.089 394 F CA 1.429 59.403 58.000 -0.043 0.000 1.282 394 F CB -0.401 38.551 39.000 -0.080 0.000 1.010 394 F HN 0.085 nan 8.300 nan 0.000 0.485 395 A N 0.115 122.896 122.820 -0.065 0.000 1.873 395 A HA -0.141 4.179 4.320 0.000 0.000 0.215 395 A C 2.134 179.624 177.584 -0.156 0.000 1.186 395 A CA 1.479 53.413 52.037 -0.173 0.000 0.616 395 A CB -0.782 18.128 19.000 -0.151 0.000 0.823 395 A HN 0.424 nan 8.150 nan 0.000 0.442 396 E N -0.334 119.810 120.200 -0.092 0.000 2.147 396 E HA -0.178 4.172 4.350 0.000 0.000 0.199 396 E C 1.863 178.464 176.600 0.002 0.000 1.005 396 E CA 1.670 58.060 56.400 -0.018 0.000 0.810 396 E CB -0.358 29.334 29.700 -0.014 0.000 0.736 396 E HN 0.403 nan 8.360 nan 0.000 0.460 397 V N 1.132 121.003 119.914 -0.071 0.000 3.431 397 V HA 0.016 4.136 4.120 0.000 0.000 0.253 397 V C 1.174 177.184 176.094 -0.140 0.000 1.184 397 V CA 0.673 62.934 62.300 -0.066 0.000 1.104 397 V CB 0.054 31.851 31.823 -0.043 0.000 0.799 397 V HN 0.172 nan 8.190 nan 0.000 0.462 398 N N -0.158 118.350 118.700 -0.321 0.000 2.166 398 N HA 0.269 5.009 4.740 0.000 0.000 0.213 398 N C 0.757 176.124 175.510 -0.238 0.000 1.222 398 N CA 0.483 53.321 53.050 -0.354 0.000 0.900 398 N CB 0.903 38.873 38.487 -0.862 0.000 1.055 398 N HN 0.349 nan 8.380 nan 0.000 0.515 399 A N 1.081 123.777 122.820 -0.207 0.000 2.583 399 A HA 0.023 4.343 4.320 0.000 0.000 0.231 399 A C 0.010 177.593 177.584 -0.001 0.000 1.065 399 A CA 0.612 52.578 52.037 -0.120 0.000 0.760 399 A CB 0.070 19.020 19.000 -0.084 0.000 1.001 399 A HN 0.118 nan 8.150 nan 0.000 0.509 400 D N -0.108 120.318 120.400 0.042 0.000 2.256 400 D HA 0.551 5.191 4.640 0.000 0.000 0.246 400 D C -0.948 175.362 176.300 0.018 0.000 1.042 400 D CA -0.100 53.935 54.000 0.059 0.000 0.841 400 D CB 1.616 42.471 40.800 0.092 0.000 1.223 400 D HN 0.223 nan 8.370 nan 0.000 0.470 401 V N 3.273 123.198 119.914 0.018 0.000 2.513 401 V HA 0.533 4.653 4.120 0.000 0.000 0.299 401 V C -0.261 175.802 176.094 -0.053 0.000 1.035 401 V CA -0.804 61.500 62.300 0.007 0.000 0.889 401 V CB 1.899 33.786 31.823 0.107 0.000 0.988 401 V HN 0.404 nan 8.190 nan 0.000 0.440 402 V N 3.247 123.086 119.914 -0.124 0.000 2.444 402 V HA 0.447 4.567 4.120 0.000 0.000 0.294 402 V C -0.728 175.154 176.094 -0.352 0.000 1.022 402 V CA -0.661 61.462 62.300 -0.294 0.000 0.850 402 V CB 1.904 33.495 31.823 -0.387 0.000 0.992 402 V HN 0.832 nan 8.190 nan 0.000 0.426 403 D N 4.274 124.459 120.400 -0.358 0.000 2.373 403 D HA 0.288 4.928 4.640 0.000 0.000 0.227 403 D C -0.879 175.204 176.300 -0.361 0.000 1.091 403 D CA -0.068 53.792 54.000 -0.233 0.000 0.840 403 D CB 1.435 42.188 40.800 -0.078 0.000 1.060 403 D HN 0.453 nan 8.370 nan 0.000 0.502 404 W N 2.499 123.644 121.300 -0.259 0.000 2.438 404 W HA 0.382 5.042 4.660 0.000 0.000 0.324 404 W C 0.217 176.651 176.519 -0.141 0.000 1.119 404 W CA -0.815 56.391 57.345 -0.233 0.000 1.221 404 W CB 1.232 30.454 29.460 -0.397 0.000 1.253 404 W HN 0.127 nan 8.180 nan 0.000 0.555 405 I N 3.609 124.235 120.570 0.093 0.000 2.328 405 I HA 0.123 4.293 4.170 0.000 0.000 0.287 405 I C 0.239 176.351 176.117 -0.007 0.000 1.012 405 I CA -1.218 60.030 61.300 -0.086 0.000 1.195 405 I CB 0.700 38.363 38.000 -0.561 0.000 1.350 405 I HN 0.526 nan 8.210 nan 0.000 0.464 406 Q N 6.014 125.862 119.800 0.080 0.000 2.299 406 Q HA 0.487 4.827 4.340 0.000 0.000 0.246 406 Q C -0.922 175.110 176.000 0.054 0.000 0.935 406 Q CA -0.429 55.425 55.803 0.086 0.000 0.887 406 Q CB 2.534 31.337 28.738 0.108 0.000 1.223 406 Q HN 0.673 nan 8.270 nan 0.000 0.439 407 Q N 0.593 120.436 119.800 0.072 0.000 3.274 407 Q HA 0.271 4.611 4.340 0.000 0.000 0.303 407 Q C -1.119 174.919 176.000 0.064 0.000 1.005 407 Q CA -0.927 54.928 55.803 0.086 0.000 0.831 407 Q CB 1.627 30.465 28.738 0.168 0.000 1.538 407 Q HN 0.715 nan 8.270 nan 0.000 0.481 408 D N 1.613 122.053 120.400 0.067 0.000 2.312 408 D HA 0.136 4.776 4.640 0.000 0.000 0.252 408 D C -0.635 175.693 176.300 0.047 0.000 1.150 408 D CA 0.596 54.624 54.000 0.047 0.000 0.870 408 D CB 1.122 41.947 40.800 0.042 0.000 1.153 408 D HN 0.667 nan 8.370 nan 0.000 0.457 409 D N 0.988 121.403 120.400 0.026 0.000 3.108 409 D HA -0.119 4.521 4.640 0.000 0.000 0.214 409 D C 1.013 177.314 176.300 0.001 0.000 1.098 409 D CA 1.106 55.116 54.000 0.016 0.000 0.901 409 D CB -1.191 39.625 40.800 0.027 0.000 1.091 409 D HN 0.711 nan 8.370 nan 0.000 0.435 410 G N -0.098 108.699 108.800 -0.005 0.000 2.280 410 G HA2 -0.344 3.616 3.960 0.000 0.000 0.282 410 G HA3 -0.344 3.616 3.960 0.000 0.000 0.282 410 G C 0.376 175.247 174.900 -0.049 0.000 1.000 410 G CA 1.248 46.330 45.100 -0.030 0.000 0.751 410 G HN 1.519 nan 8.290 nan 0.000 0.515 411 S N -1.409 114.276 115.700 -0.025 0.000 2.564 411 S HA 0.590 5.060 4.470 0.000 0.000 0.278 411 S C 0.014 174.524 174.600 -0.150 0.000 1.333 411 S CA -0.437 57.711 58.200 -0.087 0.000 1.048 411 S CB 2.587 65.784 63.200 -0.005 0.000 0.900 411 S HN 0.791 nan 8.310 nan 0.000 0.505 412 V N 4.565 124.303 119.914 -0.294 0.000 2.448 412 V HA 0.428 4.548 4.120 0.000 0.000 0.295 412 V C -0.589 175.328 176.094 -0.295 0.000 1.025 412 V CA -0.619 61.560 62.300 -0.202 0.000 0.859 412 V CB 1.381 33.086 31.823 -0.196 0.000 0.988 412 V HN 0.960 nan 8.190 nan 0.000 0.431 413 H N 3.686 122.885 119.070 0.213 0.000 2.529 413 H HA 0.358 4.914 4.556 0.000 0.000 0.348 413 H C -0.434 175.063 175.328 0.282 0.000 1.079 413 H CA -0.865 55.336 56.048 0.254 0.000 1.198 413 H CB 2.207 32.047 29.762 0.130 0.000 1.521 413 H HN 0.514 nan 8.280 nan 0.000 0.514 414 K N 2.500 123.072 120.400 0.286 0.000 2.349 414 K HA 0.120 4.440 4.320 0.000 0.000 0.289 414 K C 0.120 176.662 176.600 -0.097 0.000 1.064 414 K CA -0.365 55.760 56.287 -0.271 0.000 0.947 414 K CB 0.449 32.614 32.500 -0.558 0.000 1.007 414 K HN 0.658 nan 8.250 nan 0.000 0.478 415 S N 4.071 119.693 115.700 -0.130 0.000 2.617 415 S HA 0.352 4.822 4.470 0.000 0.000 0.269 415 S C 0.250 174.813 174.600 -0.062 0.000 1.292 415 S CA -0.897 57.301 58.200 -0.004 0.000 1.010 415 S CB 0.617 63.831 63.200 0.023 0.000 0.944 415 S HN 0.544 nan 8.310 nan 0.000 0.536 416 I N 2.771 123.333 120.570 -0.012 0.000 2.352 416 I HA 0.288 4.458 4.170 0.000 0.000 0.290 416 I C 0.099 176.207 176.117 -0.016 0.000 1.036 416 I CA -0.240 61.043 61.300 -0.028 0.000 1.336 416 I CB 0.657 38.648 38.000 -0.016 0.000 1.407 416 I HN 0.635 nan 8.210 nan 0.000 0.497 417 N N 6.301 124.987 118.700 -0.024 0.000 2.576 417 N HA 0.302 5.042 4.740 0.000 0.000 0.269 417 N C 0.127 175.640 175.510 0.006 0.000 1.058 417 N CA -0.539 52.509 53.050 -0.004 0.000 0.860 417 N CB 1.042 39.523 38.487 -0.009 0.000 1.249 417 N HN 0.433 nan 8.380 nan 0.000 0.525 418 R N 0.529 121.039 120.500 0.017 0.000 2.312 418 R HA 0.062 4.402 4.340 0.000 0.000 0.205 418 R C 1.491 177.812 176.300 0.034 0.000 0.904 418 R CA 0.560 56.674 56.100 0.024 0.000 1.052 418 R CB 0.311 30.626 30.300 0.024 0.000 1.014 418 R HN 0.564 nan 8.270 nan 0.000 0.503 419 S N 0.231 115.953 115.700 0.037 0.000 2.461 419 S HA -0.009 4.461 4.470 0.000 0.000 0.228 419 S C 0.742 175.373 174.600 0.051 0.000 1.005 419 S CA 0.070 58.298 58.200 0.045 0.000 0.942 419 S CB 0.061 63.291 63.200 0.049 0.000 0.776 419 S HN 0.116 nan 8.310 nan 0.000 0.514 420 L N 1.816 123.069 121.223 0.050 0.000 2.272 420 L HA 0.659 4.999 4.340 0.000 0.000 0.289 420 L C -1.198 175.712 176.870 0.065 0.000 1.032 420 L CA -0.605 54.272 54.840 0.063 0.000 0.810 420 L CB 0.978 43.076 42.059 0.064 0.000 1.205 420 L HN 0.261 nan 8.230 nan 0.000 0.422 421 I N 5.739 126.355 120.570 0.076 0.000 2.500 421 I HA 0.295 4.465 4.170 0.000 0.000 0.286 421 I C -0.558 175.614 176.117 0.092 0.000 1.063 421 I CA -0.844 60.502 61.300 0.078 0.000 1.062 421 I CB 2.035 40.078 38.000 0.072 0.000 1.223 421 I HN 0.200 nan 8.210 nan 0.000 0.435 422 V N 5.042 125.009 119.914 0.089 0.000 2.715 422 V HA 0.421 4.541 4.120 0.000 0.000 0.299 422 V C 0.952 177.095 176.094 0.083 0.000 1.054 422 V CA 0.317 62.671 62.300 0.091 0.000 1.077 422 V CB 0.938 32.801 31.823 0.066 0.000 0.972 422 V HN 1.076 nan 8.190 nan 0.000 0.484 423 G N 4.114 112.972 108.800 0.096 0.000 2.587 423 G HA2 -0.169 3.791 3.960 0.000 0.000 0.274 423 G HA3 -0.169 3.791 3.960 0.000 0.000 0.274 423 G C 0.056 175.007 174.900 0.085 0.000 1.046 423 G CA 0.173 45.318 45.100 0.075 0.000 1.308 423 G HN 0.592 nan 8.290 nan 0.000 0.529 424 L N -0.104 121.195 121.223 0.126 0.000 2.276 424 L HA 0.346 4.686 4.340 0.000 0.000 0.194 424 L C 1.665 178.591 176.870 0.094 0.000 1.099 424 L CA 0.986 55.896 54.840 0.117 0.000 0.800 424 L CB 0.127 42.261 42.059 0.125 0.000 0.994 424 L HN 0.356 nan 8.230 nan 0.000 0.475 425 K N 1.126 121.632 120.400 0.176 0.000 2.920 425 K HA 0.370 4.690 4.320 0.000 0.000 0.175 425 K C -0.822 175.824 176.600 0.077 0.000 1.099 425 K CA -0.196 56.135 56.287 0.074 0.000 0.939 425 K CB 1.058 33.524 32.500 -0.057 0.000 1.148 425 K HN 0.118 nan 8.250 nan 0.000 0.613 426 I N 2.062 122.612 120.570 -0.033 0.000 2.769 426 I HA -0.068 4.102 4.170 0.000 0.000 0.285 426 I C 0.071 176.075 176.117 -0.189 0.000 1.173 426 I CA 0.803 62.000 61.300 -0.171 0.000 1.389 426 I CB -0.120 37.752 38.000 -0.214 0.000 1.404 426 I HN 0.294 nan 8.210 nan 0.000 0.544 427 S N 4.342 119.893 115.700 -0.249 0.000 2.566 427 S HA 0.723 5.193 4.470 0.000 0.000 0.298 427 S C -0.125 174.297 174.600 -0.298 0.000 1.083 427 S CA -0.648 57.338 58.200 -0.357 0.000 0.978 427 S CB 2.596 65.446 63.200 -0.583 0.000 1.073 427 S HN 0.727 nan 8.310 nan 0.000 0.491 428 T N 0.875 115.270 114.554 -0.265 0.000 2.885 428 T HA 0.375 4.726 4.350 0.000 0.000 0.322 428 T C -1.403 173.354 174.700 0.094 0.000 1.387 428 T CA -0.792 61.298 62.100 -0.016 0.000 1.041 428 T CB 1.159 69.953 68.868 -0.124 0.000 1.287 428 T HN 0.638 nan 8.240 nan 0.000 0.491 429 K N 2.282 122.879 120.400 0.328 0.000 2.436 429 K HA 0.335 4.655 4.320 0.000 0.000 0.275 429 K C 0.075 176.767 176.600 0.154 0.000 0.999 429 K CA -0.106 56.373 56.287 0.321 0.000 0.980 429 K CB 0.287 32.990 32.500 0.339 0.000 0.919 429 K HN 0.558 nan 8.250 nan 0.000 0.484 430 S N 1.786 117.559 115.700 0.120 0.000 2.579 430 S HA 0.018 4.488 4.470 0.000 0.000 0.275 430 S C -0.425 174.186 174.600 0.018 0.000 1.345 430 S CA -0.770 57.465 58.200 0.057 0.000 1.031 430 S CB 1.211 64.436 63.200 0.042 0.000 0.892 430 S HN 0.530 nan 8.310 nan 0.000 0.529 431 V N 2.964 122.857 119.914 -0.034 0.000 2.470 431 V HA 0.547 4.667 4.120 0.000 0.000 0.276 431 V C 1.108 177.143 176.094 -0.099 0.000 1.040 431 V CA 0.897 63.109 62.300 -0.147 0.000 1.008 431 V CB -0.280 31.409 31.823 -0.222 0.000 0.990 431 V HN 1.254 nan 8.190 nan 0.000 0.477 432 G N 5.227 113.966 108.800 -0.102 0.000 2.205 432 G HA2 -0.261 3.699 3.960 0.000 0.000 0.261 432 G HA3 -0.261 3.699 3.960 0.000 0.000 0.261 432 G C 0.280 175.174 174.900 -0.011 0.000 0.980 432 G CA 0.681 45.747 45.100 -0.057 0.000 0.632 432 G HN 1.429 nan 8.290 nan 0.000 0.533 433 R N -1.528 118.981 120.500 0.015 0.000 2.846 433 R HA 0.695 5.035 4.340 0.000 0.000 0.263 433 R C -0.426 175.943 176.300 0.115 0.000 1.080 433 R CA -0.466 55.668 56.100 0.055 0.000 0.961 433 R CB 0.295 30.622 30.300 0.045 0.000 1.231 433 R HN -0.123 nan 8.270 nan 0.000 0.465 434 D N 0.306 120.808 120.400 0.169 0.000 2.349 434 D HA 0.053 4.693 4.640 0.000 0.000 0.224 434 D C -0.504 175.915 176.300 0.199 0.000 1.029 434 D CA 0.608 54.794 54.000 0.310 0.000 0.879 434 D CB 0.144 41.180 40.800 0.392 0.000 0.906 434 D HN 0.354 nan 8.370 nan 0.000 0.528 435 E N 0.549 120.814 120.200 0.108 0.000 2.392 435 E HA 0.128 4.478 4.350 0.000 0.000 0.259 435 E C 0.456 177.085 176.600 0.049 0.000 1.108 435 E CA -0.243 56.181 56.400 0.041 0.000 0.916 435 E CB 1.038 30.745 29.700 0.011 0.000 0.989 435 E HN -0.050 nan 8.360 nan 0.000 0.432 436 R N 1.796 122.275 120.500 -0.036 0.000 2.308 436 R HA 0.103 4.443 4.340 0.000 0.000 0.305 436 R C -0.496 175.705 176.300 -0.165 0.000 1.053 436 R CA -0.204 55.798 56.100 -0.163 0.000 0.957 436 R CB 0.657 30.712 30.300 -0.408 0.000 1.022 436 R HN 0.598 nan 8.270 nan 0.000 0.461 437 E N 3.322 123.429 120.200 -0.156 0.000 2.156 437 E HA 0.033 4.383 4.350 0.000 0.000 0.279 437 E C -1.245 175.269 176.600 -0.144 0.000 0.965 437 E CA -0.667 55.675 56.400 -0.097 0.000 0.789 437 E CB 1.182 30.863 29.700 -0.030 0.000 1.098 437 E HN 0.520 nan 8.360 nan 0.000 0.397 438 D N 5.474 125.823 120.400 -0.085 0.000 2.313 438 D HA 0.100 4.740 4.640 0.000 0.000 0.239 438 D C 0.710 177.011 176.300 0.001 0.000 1.142 438 D CA -0.302 53.656 54.000 -0.070 0.000 0.847 438 D CB 0.727 41.505 40.800 -0.037 0.000 1.082 438 D HN 0.617 nan 8.370 nan 0.000 0.480 439 I N 0.961 121.481 120.570 -0.082 0.000 3.914 439 I HA 0.093 4.263 4.170 0.000 0.000 0.333 439 I C 1.082 177.103 176.117 -0.160 0.000 1.449 439 I CA -0.458 60.732 61.300 -0.183 0.000 1.135 439 I CB 0.171 38.058 38.000 -0.189 0.000 1.073 439 I HN 0.044 nan 8.210 nan 0.000 0.401 440 T N 1.964 116.502 114.554 -0.027 0.000 2.737 440 T HA -0.242 4.108 4.350 0.000 0.000 0.269 440 T C 1.889 176.621 174.700 0.055 0.000 1.040 440 T CA 2.445 64.572 62.100 0.045 0.000 1.142 440 T CB -0.741 68.162 68.868 0.058 0.000 0.861 440 T HN 0.669 nan 8.240 nan 0.000 0.456 441 H N 1.155 120.258 119.070 0.055 0.000 2.489 441 H HA -0.043 4.513 4.556 0.000 0.000 0.293 441 H C 2.121 177.442 175.328 -0.012 0.000 1.066 441 H CA 1.641 57.704 56.048 0.025 0.000 1.305 441 H CB -0.842 28.932 29.762 0.020 0.000 1.386 441 H HN 0.537 nan 8.280 nan 0.000 0.551 442 T N -2.665 111.612 114.554 -0.461 0.000 3.067 442 T HA -0.056 4.294 4.350 0.000 0.000 0.261 442 T C 1.429 175.964 174.700 -0.274 0.000 1.110 442 T CA 0.353 62.251 62.100 -0.337 0.000 1.113 442 T CB -0.504 68.134 68.868 -0.383 0.000 0.917 442 T HN 0.352 nan 8.240 nan 0.000 0.499 443 Y N 1.108 121.342 120.300 -0.109 0.000 2.507 443 Y HA 0.495 5.045 4.550 0.000 0.000 0.263 443 Y C 0.834 176.718 175.900 -0.027 0.000 1.093 443 Y CA -0.258 57.826 58.100 -0.027 0.000 1.285 443 Y CB 0.630 39.107 38.460 0.028 0.000 1.115 443 Y HN 0.109 nan 8.280 nan 0.000 0.533 444 K N -0.966 119.484 120.400 0.084 0.000 2.498 444 K HA 0.327 4.647 4.320 0.000 0.000 0.254 444 K C -1.806 174.795 176.600 0.002 0.000 0.933 444 K CA -0.800 55.526 56.287 0.067 0.000 0.806 444 K CB 1.813 34.398 32.500 0.142 0.000 1.301 444 K HN -0.261 nan 8.250 nan 0.000 0.432 445 Y N 1.400 121.764 120.300 0.107 0.000 2.300 445 Y HA 0.212 4.762 4.550 0.000 0.000 0.328 445 Y C -1.856 174.066 175.900 0.036 0.000 1.270 445 Y CA -1.825 56.313 58.100 0.063 0.000 1.352 445 Y CB 0.140 38.612 38.460 0.020 0.000 1.286 445 Y HN 0.401 nan 8.280 nan 0.000 0.536 446 P HA -0.048 nan 4.420 nan 0.000 0.265 446 P C -0.892 176.448 177.300 0.066 0.000 1.187 446 P CA 0.207 63.377 63.100 0.117 0.000 0.766 446 P CB 0.354 32.109 31.700 0.091 0.000 0.820 447 E N 1.700 121.931 120.200 0.051 0.000 2.465 447 E HA 0.167 4.517 4.350 0.000 0.000 0.260 447 E C 1.224 177.823 176.600 -0.003 0.000 0.980 447 E CA 0.605 57.021 56.400 0.026 0.000 0.927 447 E CB -0.217 29.511 29.700 0.046 0.000 0.934 447 E HN 0.786 nan 8.360 nan 0.000 0.459 448 G N 2.857 111.634 108.800 -0.038 0.000 2.168 448 G HA2 -0.341 3.619 3.960 0.000 0.000 0.257 448 G HA3 -0.341 3.619 3.960 0.000 0.000 0.257 448 G C 0.334 175.203 174.900 -0.052 0.000 0.997 448 G CA 0.618 45.693 45.100 -0.043 0.000 0.708 448 G HN 0.654 nan 8.290 nan 0.000 0.520 449 S N -0.785 114.875 115.700 -0.066 0.000 2.669 449 S HA 0.703 5.173 4.470 0.000 0.000 0.270 449 S C 1.781 176.310 174.600 -0.118 0.000 1.225 449 S CA 0.715 58.871 58.200 -0.073 0.000 0.991 449 S CB 1.709 64.877 63.200 -0.054 0.000 0.987 449 S HN 1.489 nan 8.310 nan 0.000 0.552 450 S N 0.726 116.353 115.700 -0.122 0.000 2.368 450 S HA -0.165 4.305 4.470 0.000 0.000 0.224 450 S C 1.596 176.081 174.600 -0.192 0.000 1.029 450 S CA 0.976 59.099 58.200 -0.129 0.000 0.988 450 S CB -0.871 62.267 63.200 -0.103 0.000 0.838 450 S HN 0.847 nan 8.310 nan 0.000 0.462 451 E N 1.739 121.748 120.200 -0.318 0.000 2.150 451 E HA -0.187 4.163 4.350 0.000 0.000 0.193 451 E C 2.001 178.380 176.600 -0.369 0.000 0.985 451 E CA 1.219 57.296 56.400 -0.539 0.000 0.814 451 E CB -0.564 28.387 29.700 -1.249 0.000 0.752 451 E HN 0.868 nan 8.360 nan 0.000 0.466 452 E N 1.565 121.613 120.200 -0.252 0.000 2.077 452 E HA -0.209 4.141 4.350 0.000 0.000 0.193 452 E C 2.332 178.709 176.600 -0.372 0.000 0.989 452 E CA 0.846 57.093 56.400 -0.255 0.000 0.800 452 E CB -0.019 29.474 29.700 -0.345 0.000 0.746 452 E HN 0.132 nan 8.360 nan 0.000 0.452 453 R N 0.309 120.663 120.500 -0.242 0.000 2.091 453 R HA -0.168 4.172 4.340 0.000 0.000 0.238 453 R C 2.235 178.532 176.300 -0.005 0.000 1.136 453 R CA 1.796 57.827 56.100 -0.117 0.000 0.959 453 R CB 0.036 30.291 30.300 -0.076 0.000 0.856 453 R HN 0.152 nan 8.270 nan 0.000 0.437 454 E N 0.281 120.467 120.200 -0.024 0.000 2.031 454 E HA -0.184 4.166 4.350 0.000 0.000 0.193 454 E C 1.962 178.635 176.600 0.122 0.000 0.994 454 E CA 1.499 57.917 56.400 0.031 0.000 0.800 454 E CB -0.559 29.135 29.700 -0.010 0.000 0.752 454 E HN 0.465 nan 8.360 nan 0.000 0.447 455 A N 0.717 123.646 122.820 0.182 0.000 1.908 455 A HA -0.151 4.169 4.320 0.000 0.000 0.218 455 A C 2.225 180.099 177.584 0.483 0.000 1.181 455 A CA 1.257 53.496 52.037 0.336 0.000 0.627 455 A CB -1.015 18.270 19.000 0.475 0.000 0.818 455 A HN 0.253 nan 8.150 nan 0.000 0.445 456 F N -0.124 119.956 119.950 0.217 0.000 2.259 456 F HA -0.133 4.394 4.527 0.000 0.000 0.298 456 F C 2.679 178.557 175.800 0.130 0.000 1.088 456 F CA 0.992 59.136 58.000 0.240 0.000 1.358 456 F CB -0.188 38.928 39.000 0.194 0.000 1.040 456 F HN 0.190 nan 8.300 nan 0.000 0.505 457 T N -0.190 114.526 114.554 0.269 0.000 2.770 457 T HA -0.125 4.225 4.350 0.000 0.000 0.263 457 T C 1.765 176.521 174.700 0.093 0.000 1.039 457 T CA 0.917 63.102 62.100 0.143 0.000 1.142 457 T CB -0.246 68.679 68.868 0.095 0.000 0.868 457 T HN 0.209 nan 8.240 nan 0.000 0.435 458 R N 1.126 121.680 120.500 0.089 0.000 2.285 458 R HA 0.153 4.493 4.340 0.000 0.000 0.213 458 R C 1.956 178.235 176.300 -0.036 0.000 1.068 458 R CA 0.867 56.987 56.100 0.032 0.000 1.004 458 R CB -0.110 30.217 30.300 0.045 0.000 0.873 458 R HN 0.291 nan 8.270 nan 0.000 0.467 459 A N 0.627 123.421 122.820 -0.044 0.000 2.431 459 A HA 0.109 4.429 4.320 0.000 0.000 0.239 459 A C -0.135 177.393 177.584 -0.093 0.000 1.230 459 A CA -0.461 51.450 52.037 -0.211 0.000 0.928 459 A CB 0.205 18.874 19.000 -0.552 0.000 1.006 459 A HN 0.291 nan 8.150 nan 0.000 0.520 460 N N 0.357 119.062 118.700 0.010 0.000 2.696 460 N HA -0.221 4.519 4.740 0.000 0.000 0.256 460 N C -0.318 175.253 175.510 0.101 0.000 1.031 460 N CA 1.229 54.301 53.050 0.037 0.000 0.730 460 N CB -1.183 37.302 38.487 -0.003 0.000 0.894 460 N HN 0.776 nan 8.380 nan 0.000 0.544 461 H N -0.212 118.855 119.070 -0.005 0.000 2.924 461 H HA 0.313 4.869 4.556 0.000 0.000 0.229 461 H C 0.782 176.124 175.328 0.024 0.000 1.345 461 H CA -0.340 55.678 56.048 -0.050 0.000 1.044 461 H CB -0.226 29.445 29.762 -0.152 0.000 2.221 461 H HN 0.291 nan 8.280 nan 0.000 0.574 462 L N 0.145 121.377 121.223 0.016 0.000 2.675 462 L HA 0.044 4.384 4.340 0.000 0.000 0.238 462 L C 0.106 176.955 176.870 -0.035 0.000 1.155 462 L CA 0.048 54.916 54.840 0.046 0.000 0.881 462 L CB -0.346 41.756 42.059 0.073 0.000 1.008 462 L HN 0.328 nan 8.230 nan 0.000 0.443 463 N N 2.998 121.597 118.700 -0.168 0.000 2.406 463 N HA 0.061 4.801 4.740 0.000 0.000 0.265 463 N C 0.310 175.741 175.510 -0.132 0.000 1.203 463 N CA 0.300 53.274 53.050 -0.127 0.000 0.945 463 N CB 0.387 38.814 38.487 -0.100 0.000 1.165 463 N HN 0.362 nan 8.380 nan 0.000 0.485 464 K N -0.147 120.237 120.400 -0.026 0.000 3.477 464 K HA 0.071 4.391 4.320 0.000 0.000 0.127 464 K C -0.104 176.510 176.600 0.023 0.000 0.937 464 K CA -0.214 56.084 56.287 0.020 0.000 0.929 464 K CB -1.028 31.527 32.500 0.091 0.000 0.648 464 K HN 0.123 nan 8.250 nan 0.000 0.373 465 L N 1.571 122.801 121.223 0.012 0.000 2.376 465 L HA 0.140 4.480 4.340 0.000 0.000 0.219 465 L C 0.712 177.589 176.870 0.012 0.000 1.133 465 L CA 0.841 55.689 54.840 0.014 0.000 0.816 465 L CB -0.448 41.618 42.059 0.013 0.000 0.933 465 L HN 0.596 nan 8.230 nan 0.000 0.449 466 A N 0.434 123.259 122.820 0.009 0.000 2.277 466 A HA -0.179 4.141 4.320 0.000 0.000 0.627 466 A C 1.178 178.763 177.584 0.001 0.000 0.242 466 A CA 0.325 52.365 52.037 0.006 0.000 0.209 466 A CB -0.437 18.571 19.000 0.013 0.000 3.637 466 A HN 0.373 nan 8.150 nan 0.000 0.501 467 E N 1.932 122.127 120.200 -0.009 0.000 2.106 467 E HA -0.162 4.188 4.350 0.000 0.000 0.192 467 E C 1.355 177.955 176.600 0.000 0.000 0.984 467 E CA 1.359 57.753 56.400 -0.009 0.000 0.806 467 E CB -0.206 29.477 29.700 -0.028 0.000 0.750 467 E HN 0.900 nan 8.360 nan 0.000 0.458 468 K N -0.333 120.067 120.400 0.001 0.000 3.290 468 K HA -0.329 3.991 4.320 0.000 0.000 0.309 468 K C 1.067 177.672 176.600 0.008 0.000 1.207 468 K CA 1.379 57.670 56.287 0.007 0.000 0.939 468 K CB -1.312 31.195 32.500 0.011 0.000 1.230 468 K HN 0.271 nan 8.250 nan 0.000 0.428 469 E N 1.377 121.580 120.200 0.005 0.000 2.217 469 E HA -0.284 4.066 4.350 0.000 0.000 0.219 469 E C 0.310 176.913 176.600 0.005 0.000 1.070 469 E CA 1.507 57.911 56.400 0.007 0.000 0.889 469 E CB -0.305 29.397 29.700 0.004 0.000 0.768 469 E HN 0.502 nan 8.360 nan 0.000 0.465 470 E N 0.320 120.520 120.200 0.000 0.000 2.401 470 E HA -0.243 4.107 4.350 0.000 0.000 0.272 470 E C -0.465 176.131 176.600 -0.006 0.000 1.895 470 E CA 0.409 56.809 56.400 -0.000 0.000 0.997 470 E CB -0.274 29.433 29.700 0.013 0.000 0.834 470 E HN 0.190 nan 8.360 nan 0.000 0.334 471 T N 2.933 117.466 114.554 -0.035 0.000 3.228 471 T HA 0.142 4.492 4.350 0.000 0.000 0.261 471 T C 1.571 176.260 174.700 -0.017 0.000 1.171 471 T CA 0.717 62.781 62.100 -0.061 0.000 1.056 471 T CB -0.089 68.673 68.868 -0.177 0.000 0.938 471 T HN 0.915 nan 8.240 nan 0.000 0.539 472 G N 1.151 109.955 108.800 0.007 0.000 2.267 472 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 472 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 472 G C 0.196 175.112 174.900 0.026 0.000 0.998 472 G CA 0.004 45.126 45.100 0.036 0.000 0.620 472 G HN 0.488 nan 8.290 nan 0.000 0.529 473 M N 0.963 120.551 119.600 -0.019 0.000 2.274 473 M HA 0.634 5.114 4.480 0.000 0.000 0.344 473 M C 0.332 176.620 176.300 -0.021 0.000 1.161 473 M CA 0.372 55.649 55.300 -0.038 0.000 1.126 473 M CB 1.706 34.224 32.600 -0.137 0.000 1.522 473 M HN 0.707 nan 8.290 nan 0.000 0.461 474 A N 3.336 126.156 122.820 -0.001 0.000 2.556 474 A HA 0.950 5.270 4.320 0.000 0.000 0.294 474 A C -1.365 176.236 177.584 0.028 0.000 1.091 474 A CA -0.770 51.278 52.037 0.018 0.000 0.704 474 A CB 2.536 21.560 19.000 0.041 0.000 1.300 474 A HN 0.930 nan 8.150 nan 0.000 0.406 475 M N 1.456 121.082 119.600 0.043 0.000 2.414 475 M HA 0.633 5.113 4.480 0.000 0.000 0.287 475 M C -1.517 174.832 176.300 0.081 0.000 1.181 475 M CA -0.368 54.970 55.300 0.063 0.000 0.933 475 M CB 1.869 34.491 32.600 0.037 0.000 1.732 475 M HN 1.071 nan 8.290 nan 0.000 0.486 476 R N 3.229 123.800 120.500 0.117 0.000 2.734 476 R HA 0.624 4.964 4.340 0.000 0.000 0.271 476 R C -1.783 174.599 176.300 0.136 0.000 1.021 476 R CA -1.030 55.135 56.100 0.108 0.000 0.893 476 R CB 1.095 31.449 30.300 0.090 0.000 1.244 476 R HN 0.552 nan 8.270 nan 0.000 0.464 477 I N 1.775 122.413 120.570 0.114 0.000 2.365 477 I HA 0.391 4.561 4.170 0.000 0.000 0.291 477 I C 0.176 176.373 176.117 0.133 0.000 1.004 477 I CA -0.546 60.832 61.300 0.130 0.000 1.311 477 I CB 1.050 39.110 38.000 0.099 0.000 1.401 477 I HN 0.584 nan 8.210 nan 0.000 0.491 478 R N 3.390 124.005 120.500 0.192 0.000 2.711 478 R HA 0.500 4.840 4.340 0.000 0.000 0.284 478 R C 0.727 177.186 176.300 0.265 0.000 0.968 478 R CA -0.446 55.761 56.100 0.177 0.000 0.924 478 R CB 2.072 32.461 30.300 0.148 0.000 1.162 478 R HN 0.516 nan 8.270 nan 0.000 0.465 479 V N -0.032 119.991 119.914 0.182 0.000 3.570 479 V HA 0.431 4.551 4.120 0.000 0.000 0.257 479 V C 1.003 177.229 176.094 0.220 0.000 1.272 479 V CA 1.174 63.583 62.300 0.181 0.000 1.079 479 V CB 0.190 32.033 31.823 0.034 0.000 0.829 479 V HN 0.971 nan 8.190 nan 0.000 0.454 480 G N 1.060 109.947 108.800 0.145 0.000 4.655 480 G HA2 -0.311 3.649 3.960 0.000 0.000 0.220 480 G HA3 -0.311 3.649 3.960 0.000 0.000 0.220 480 G C 0.115 175.042 174.900 0.046 0.000 1.403 480 G CA 0.782 45.940 45.100 0.097 0.000 0.931 480 G HN 1.061 nan 8.290 nan 0.000 0.654 481 Q N -0.307 119.515 119.800 0.037 0.000 2.590 481 Q HA 0.704 5.044 4.340 0.000 0.000 0.295 481 Q C -0.183 175.756 176.000 -0.102 0.000 0.973 481 Q CA -0.055 55.737 55.803 -0.018 0.000 0.768 481 Q CB 1.084 29.821 28.738 -0.001 0.000 1.479 481 Q HN 0.901 nan 8.270 nan 0.000 0.419 482 S N 0.436 116.054 115.700 -0.138 0.000 2.558 482 S HA 0.366 4.836 4.470 0.000 0.000 0.291 482 S C -0.606 173.833 174.600 -0.268 0.000 1.306 482 S CA 0.014 58.056 58.200 -0.264 0.000 1.056 482 S CB 0.019 63.121 63.200 -0.164 0.000 0.836 482 S HN 0.423 nan 8.310 nan 0.000 0.504 483 M N 4.314 123.660 119.600 -0.424 0.000 2.602 483 M HA 0.566 5.046 4.480 0.000 0.000 0.312 483 M C -0.503 175.578 176.300 -0.366 0.000 1.181 483 M CA -0.748 54.276 55.300 -0.460 0.000 0.910 483 M CB 1.452 33.414 32.600 -1.065 0.000 1.723 483 M HN 0.391 nan 8.290 nan 0.000 0.459 484 N N 1.083 119.657 118.700 -0.211 0.000 2.384 484 N HA 0.437 5.177 4.740 0.000 0.000 0.301 484 N C -1.052 174.416 175.510 -0.071 0.000 1.133 484 N CA -0.615 52.351 53.050 -0.139 0.000 0.853 484 N CB 1.341 39.784 38.487 -0.074 0.000 1.241 484 N HN 0.704 nan 8.380 nan 0.000 0.502 485 M N 1.412 120.969 119.600 -0.072 0.000 2.327 485 M HA 0.081 4.561 4.480 0.000 0.000 0.353 485 M C 0.935 177.282 176.300 0.078 0.000 1.539 485 M CA 1.076 56.401 55.300 0.042 0.000 1.039 485 M CB -1.009 31.594 32.600 0.006 0.000 1.967 485 M HN 0.932 nan 8.290 nan 0.000 0.459 486 G N 3.064 111.986 108.800 0.202 0.000 2.211 486 G HA2 -0.192 3.768 3.960 0.000 0.000 0.201 486 G HA3 -0.192 3.768 3.960 0.000 0.000 0.201 486 G C 0.013 174.801 174.900 -0.188 0.000 0.997 486 G CA 0.298 45.252 45.100 -0.245 0.000 0.652 486 G HN 0.990 nan 8.290 nan 0.000 0.500 487 S N -0.133 115.653 115.700 0.142 0.000 2.689 487 S HA 0.774 5.244 4.470 0.000 0.000 0.306 487 S C -0.924 173.889 174.600 0.355 0.000 1.104 487 S CA -0.570 57.724 58.200 0.156 0.000 0.973 487 S CB 2.594 65.868 63.200 0.123 0.000 1.121 487 S HN 0.071 nan 8.310 nan 0.000 0.523 488 D N 0.824 121.358 120.400 0.224 0.000 2.253 488 D HA 0.712 5.352 4.640 0.000 0.000 0.249 488 D C -0.445 175.983 176.300 0.213 0.000 1.049 488 D CA 0.031 54.113 54.000 0.137 0.000 0.929 488 D CB 1.094 41.913 40.800 0.031 0.000 1.176 488 D HN 0.607 nan 8.370 nan 0.000 0.437 489 F N -1.882 118.089 119.950 0.036 0.000 2.741 489 F HA 0.423 4.950 4.527 0.000 0.000 0.311 489 F C -1.357 174.398 175.800 -0.075 0.000 1.149 489 F CA -1.144 56.848 58.000 -0.014 0.000 0.930 489 F CB 1.251 40.237 39.000 -0.024 0.000 1.312 489 F HN -0.090 nan 8.300 nan 0.000 0.450 490 D N 1.769 122.202 120.400 0.054 0.000 2.198 490 D HA 0.613 5.253 4.640 0.000 0.000 0.247 490 D C -0.478 175.628 176.300 -0.324 0.000 1.010 490 D CA -0.218 53.635 54.000 -0.245 0.000 0.880 490 D CB 2.539 43.133 40.800 -0.342 0.000 1.209 490 D HN 0.688 nan 8.370 nan 0.000 0.451 491 V N -1.727 117.861 119.914 -0.543 0.000 3.126 491 V HA 0.809 4.929 4.120 0.000 0.000 0.314 491 V C -1.117 174.505 176.094 -0.787 0.000 1.138 491 V CA -0.843 61.222 62.300 -0.392 0.000 1.034 491 V CB 1.758 33.561 31.823 -0.034 0.000 1.075 491 V HN 0.344 nan 8.190 nan 0.000 0.442 492 F N -0.051 119.949 119.950 0.084 0.000 2.578 492 F HA 0.855 5.382 4.527 0.000 0.000 0.311 492 F C 0.337 176.195 175.800 0.096 0.000 1.094 492 F CA -0.571 57.481 58.000 0.087 0.000 0.923 492 F CB 2.094 41.159 39.000 0.108 0.000 1.230 492 F HN 0.841 nan 8.300 nan 0.000 0.450 493 A N 1.303 124.268 122.820 0.243 0.000 2.252 493 A HA 0.504 4.824 4.320 0.000 0.000 0.309 493 A C -1.397 176.309 177.584 0.202 0.000 1.285 493 A CA -0.323 51.819 52.037 0.176 0.000 0.900 493 A CB -0.235 18.830 19.000 0.108 0.000 1.157 493 A HN 0.853 nan 8.150 nan 0.000 0.536 494 H N 2.500 121.637 119.070 0.111 0.000 2.595 494 H HA 0.602 5.158 4.556 0.000 0.000 0.313 494 H C -0.805 174.555 175.328 0.054 0.000 1.023 494 H CA -0.320 55.776 56.048 0.081 0.000 1.218 494 H CB 0.448 30.250 29.762 0.067 0.000 1.403 494 H HN 0.568 nan 8.280 nan 0.000 0.477 495 I N 4.391 124.818 120.570 -0.239 0.000 2.392 495 I HA 0.246 4.416 4.170 0.000 0.000 0.295 495 I C -0.087 175.939 176.117 -0.153 0.000 0.985 495 I CA -0.372 60.854 61.300 -0.124 0.000 1.221 495 I CB 1.871 39.820 38.000 -0.084 0.000 1.366 495 I HN 0.550 nan 8.210 nan 0.000 0.467 496 T N 4.282 118.820 114.554 -0.027 0.000 2.809 496 T HA 0.235 4.585 4.350 0.000 0.000 0.284 496 T C -0.314 174.400 174.700 0.023 0.000 0.992 496 T CA -0.537 61.573 62.100 0.016 0.000 0.957 496 T CB 0.675 69.593 68.868 0.083 0.000 0.942 496 T HN 0.429 nan 8.240 nan 0.000 0.439 497 N N 3.286 122.002 118.700 0.026 0.000 2.816 497 N HA 0.158 4.898 4.740 0.000 0.000 0.236 497 N C -0.424 175.088 175.510 0.004 0.000 1.076 497 N CA -0.566 52.502 53.050 0.031 0.000 0.902 497 N CB 0.270 38.779 38.487 0.037 0.000 1.149 497 N HN 0.314 nan 8.380 nan 0.000 0.506 498 N N 1.981 120.706 118.700 0.041 0.000 3.331 498 N HA 0.207 4.947 4.740 0.000 0.000 0.303 498 N C -1.255 174.236 175.510 -0.031 0.000 1.326 498 N CA 0.143 53.260 53.050 0.110 0.000 1.207 498 N CB 0.042 38.622 38.487 0.156 0.000 1.477 498 N HN 0.343 nan 8.380 nan 0.000 0.541 499 T N -1.131 113.146 114.554 -0.462 0.000 2.864 499 T HA 0.518 4.868 4.350 0.000 0.000 0.299 499 T C 0.728 174.615 174.700 -1.355 0.000 1.166 499 T CA -0.399 61.328 62.100 -0.621 0.000 1.007 499 T CB 1.545 70.290 68.868 -0.205 0.000 1.219 499 T HN 0.125 nan 8.240 nan 0.000 0.506 500 A N 0.697 122.995 122.820 -0.869 0.000 2.123 500 A HA 0.288 4.608 4.320 0.000 0.000 0.214 500 A C 0.707 178.049 177.584 -0.403 0.000 1.152 500 A CA 0.773 52.457 52.037 -0.588 0.000 0.728 500 A CB -0.215 18.743 19.000 -0.070 0.000 0.814 500 A HN 0.724 nan 8.150 nan 0.000 0.464 501 E N 0.790 120.712 120.200 -0.463 0.000 2.349 501 E HA 0.358 4.708 4.350 0.000 0.000 0.265 501 E C -0.198 176.025 176.600 -0.628 0.000 1.064 501 E CA -0.197 55.888 56.400 -0.525 0.000 0.886 501 E CB 0.610 29.897 29.700 -0.688 0.000 1.036 501 E HN 0.592 nan 8.360 nan 0.000 0.413 502 E N 1.866 121.777 120.200 -0.482 0.000 2.133 502 E HA 0.287 4.637 4.350 0.000 0.000 0.274 502 E C -1.008 175.397 176.600 -0.325 0.000 0.930 502 E CA -0.622 55.575 56.400 -0.338 0.000 0.770 502 E CB 0.768 30.368 29.700 -0.166 0.000 1.104 502 E HN 0.399 nan 8.360 nan 0.000 0.403 503 Y N 1.481 121.734 120.300 -0.079 0.000 2.403 503 Y HA 0.459 5.009 4.550 0.000 0.000 0.323 503 Y C -0.054 175.809 175.900 -0.062 0.000 1.226 503 Y CA -1.190 56.866 58.100 -0.073 0.000 1.235 503 Y CB 1.939 40.350 38.460 -0.082 0.000 1.248 503 Y HN 0.301 nan 8.280 nan 0.000 0.489 504 V N 2.441 122.428 119.914 0.122 0.000 2.419 504 V HA 0.349 4.469 4.120 0.000 0.000 0.287 504 V C -0.697 175.403 176.094 0.010 0.000 1.017 504 V CA -0.782 61.543 62.300 0.042 0.000 0.844 504 V CB 0.484 32.316 31.823 0.016 0.000 1.011 504 V HN 0.906 nan 8.190 nan 0.000 0.429 505 C N 4.063 123.356 119.300 -0.012 0.000 2.967 505 C HA 0.851 5.311 4.460 0.000 0.000 0.372 505 C C 0.004 174.965 174.990 -0.049 0.000 1.455 505 C CA -1.148 57.836 59.018 -0.058 0.000 1.638 505 C CB 2.138 29.826 27.740 -0.086 0.000 2.096 505 C HN 0.962 nan 8.230 nan 0.000 0.466 506 R N 0.481 120.937 120.500 -0.072 0.000 2.599 506 R HA 0.835 5.175 4.340 0.000 0.000 0.295 506 R C -1.746 174.529 176.300 -0.042 0.000 0.963 506 R CA -0.520 55.548 56.100 -0.053 0.000 0.883 506 R CB 1.201 31.453 30.300 -0.079 0.000 1.171 506 R HN 0.544 nan 8.270 nan 0.000 0.450 507 L N 3.653 124.880 121.223 0.006 0.000 2.349 507 L HA 0.421 4.761 4.340 0.000 0.000 0.278 507 L C -1.570 175.367 176.870 0.111 0.000 0.996 507 L CA -0.941 53.922 54.840 0.039 0.000 0.825 507 L CB 1.872 43.955 42.059 0.041 0.000 1.243 507 L HN 0.590 nan 8.230 nan 0.000 0.412 508 L N 6.476 127.778 121.223 0.131 0.000 2.276 508 L HA 0.474 4.814 4.340 0.000 0.000 0.286 508 L C -0.625 176.431 176.870 0.310 0.000 1.024 508 L CA -0.495 54.525 54.840 0.301 0.000 0.826 508 L CB 1.055 43.200 42.059 0.144 0.000 1.211 508 L HN 0.497 nan 8.230 nan 0.000 0.422 509 L N 3.566 124.982 121.223 0.323 0.000 2.307 509 L HA 0.613 4.953 4.340 0.000 0.000 0.284 509 L C -0.199 176.766 176.870 0.159 0.000 1.023 509 L CA -0.084 54.858 54.840 0.169 0.000 0.810 509 L CB 1.732 43.828 42.059 0.063 0.000 1.231 509 L HN 0.741 nan 8.230 nan 0.000 0.423 510 C N 3.561 122.937 119.300 0.126 0.000 2.701 510 C HA 0.902 5.362 4.460 0.000 0.000 0.336 510 C C -0.620 174.396 174.990 0.043 0.000 1.123 510 C CA -0.499 58.573 59.018 0.091 0.000 1.326 510 C CB 0.556 28.395 27.740 0.165 0.000 1.833 510 C HN 0.976 nan 8.230 nan 0.000 0.473 511 A N 6.117 128.941 122.820 0.006 0.000 2.331 511 A HA 0.974 5.294 4.320 0.000 0.000 0.320 511 A C -0.650 176.936 177.584 0.003 0.000 1.138 511 A CA -0.552 51.486 52.037 0.002 0.000 0.790 511 A CB 0.860 19.846 19.000 -0.023 0.000 1.206 511 A HN 0.922 nan 8.150 nan 0.000 0.470 512 R N 0.822 121.329 120.500 0.011 0.000 2.651 512 R HA 0.543 4.883 4.340 0.000 0.000 0.278 512 R C -0.504 175.805 176.300 0.014 0.000 1.010 512 R CA -0.637 55.469 56.100 0.010 0.000 0.896 512 R CB 1.994 32.296 30.300 0.005 0.000 1.211 512 R HN 0.817 nan 8.270 nan 0.000 0.456 513 T N -0.810 113.757 114.554 0.021 0.000 2.900 513 T HA 0.390 4.740 4.350 0.000 0.000 0.307 513 T C 0.434 175.145 174.700 0.019 0.000 1.065 513 T CA -0.555 61.560 62.100 0.024 0.000 1.105 513 T CB 0.671 69.564 68.868 0.043 0.000 0.979 513 T HN 0.313 nan 8.240 nan 0.000 0.544 514 V N -0.328 119.601 119.914 0.026 0.000 2.971 514 V HA 0.703 4.823 4.120 0.000 0.000 0.309 514 V C 0.200 176.316 176.094 0.038 0.000 1.130 514 V CA -1.285 61.024 62.300 0.016 0.000 0.964 514 V CB 1.554 33.383 31.823 0.009 0.000 1.029 514 V HN 1.221 nan 8.190 nan 0.000 0.427 515 S N 1.678 117.383 115.700 0.009 0.000 2.632 515 S HA 0.357 4.827 4.470 0.000 0.000 0.267 515 S C 0.825 175.425 174.600 -0.000 0.000 1.276 515 S CA 0.203 58.431 58.200 0.047 0.000 0.998 515 S CB 0.470 63.673 63.200 0.004 0.000 0.953 515 S HN 1.321 nan 8.310 nan 0.000 0.547 516 Y N 1.216 121.471 120.300 -0.076 0.000 2.333 516 Y HA -0.060 4.490 4.550 0.000 0.000 0.290 516 Y C 1.551 177.217 175.900 -0.389 0.000 1.144 516 Y CA 1.361 59.331 58.100 -0.217 0.000 1.228 516 Y CB -0.610 37.634 38.460 -0.360 0.000 0.985 516 Y HN 0.703 nan 8.280 nan 0.000 0.542 517 N N 0.334 118.268 118.700 -1.276 0.000 2.370 517 N HA 0.152 4.892 4.740 0.000 0.000 0.198 517 N C 1.345 176.184 175.510 -1.118 0.000 1.156 517 N CA 0.825 52.783 53.050 -1.820 0.000 0.839 517 N CB 0.272 37.279 38.487 -2.465 0.000 0.989 517 N HN 0.686 nan 8.380 nan 0.000 0.468 518 G N 0.390 108.869 108.800 -0.535 0.000 2.238 518 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 518 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 518 G C -0.081 174.705 174.900 -0.190 0.000 0.996 518 G CA -0.094 44.835 45.100 -0.286 0.000 0.632 518 G HN 0.352 nan 8.290 nan 0.000 0.503 519 I N 2.924 123.372 120.570 -0.204 0.000 2.574 519 I HA 0.219 4.389 4.170 0.000 0.000 0.291 519 I C 0.973 177.051 176.117 -0.065 0.000 1.131 519 I CA -0.078 61.153 61.300 -0.116 0.000 1.352 519 I CB 0.253 38.196 38.000 -0.095 0.000 1.431 519 I HN 0.062 nan 8.210 nan 0.000 0.543 520 L N 6.436 127.628 121.223 -0.052 0.000 2.410 520 L HA 0.317 4.657 4.340 0.000 0.000 0.273 520 L C 1.120 177.978 176.870 -0.020 0.000 1.152 520 L CA -0.022 54.799 54.840 -0.031 0.000 0.855 520 L CB 0.339 42.380 42.059 -0.030 0.000 1.129 520 L HN 0.670 nan 8.230 nan 0.000 0.463 521 G N 2.932 111.726 108.800 -0.010 0.000 2.642 521 G HA2 0.583 4.543 3.960 0.000 0.000 0.291 521 G HA3 0.583 4.543 3.960 0.000 0.000 0.291 521 G C -2.636 172.258 174.900 -0.009 0.000 1.345 521 G CA -1.131 43.965 45.100 -0.007 0.000 1.043 521 G HN 0.400 nan 8.290 nan 0.000 0.528 522 P HA 0.165 nan 4.420 nan 0.000 0.269 522 P C -0.315 176.978 177.300 -0.012 0.000 1.215 522 P CA -0.186 62.905 63.100 -0.016 0.000 0.780 522 P CB 0.763 32.450 31.700 -0.022 0.000 0.898 523 E N 0.969 121.158 120.200 -0.018 0.000 2.452 523 E HA 0.042 4.392 4.350 0.000 0.000 0.261 523 E C 0.106 176.692 176.600 -0.023 0.000 0.987 523 E CA -0.360 56.030 56.400 -0.018 0.000 0.926 523 E CB -0.537 29.149 29.700 -0.024 0.000 0.934 523 E HN 0.529 nan 8.360 nan 0.000 0.452 524 C N 1.838 121.128 119.300 -0.016 0.000 2.859 524 C HA 0.855 5.315 4.460 0.000 0.000 0.256 524 C C 0.416 175.379 174.990 -0.045 0.000 1.660 524 C CA -0.096 58.914 59.018 -0.015 0.000 1.755 524 C CB -1.077 26.695 27.740 0.053 0.000 3.127 524 C HN 0.952 nan 8.230 nan 0.000 0.494 525 G N 1.059 109.817 108.800 -0.070 0.000 2.046 525 G HA2 0.495 4.455 3.960 0.000 0.000 0.245 525 G HA3 0.495 4.455 3.960 0.000 0.000 0.245 525 G C -0.899 173.929 174.900 -0.120 0.000 1.723 525 G CA 0.298 45.335 45.100 -0.105 0.000 0.909 525 G HN 1.136 nan 8.290 nan 0.000 0.737 526 T N -1.366 113.079 114.554 -0.183 0.000 2.900 526 T HA 0.843 5.193 4.350 0.000 0.000 0.303 526 T C -0.833 173.616 174.700 -0.419 0.000 1.142 526 T CA -1.005 60.910 62.100 -0.307 0.000 1.007 526 T CB 2.858 71.477 68.868 -0.414 0.000 1.156 526 T HN 0.896 nan 8.240 nan 0.000 0.490 527 K N 1.339 121.428 120.400 -0.518 0.000 2.571 527 K HA 0.479 4.799 4.320 0.000 0.000 0.252 527 K C -2.193 174.267 176.600 -0.234 0.000 0.956 527 K CA -0.747 55.332 56.287 -0.347 0.000 0.822 527 K CB 1.639 34.056 32.500 -0.139 0.000 1.286 527 K HN 0.832 nan 8.250 nan 0.000 0.439 528 Y N 4.911 125.253 120.300 0.069 0.000 2.332 528 Y HA 0.398 4.949 4.550 0.000 0.000 0.326 528 Y C -0.522 175.400 175.900 0.038 0.000 0.978 528 Y CA -1.195 56.951 58.100 0.077 0.000 1.205 528 Y CB 1.527 40.072 38.460 0.141 0.000 1.131 528 Y HN 0.188 nan 8.280 nan 0.000 0.462 529 L N 4.957 126.277 121.223 0.162 0.000 2.296 529 L HA 0.379 4.719 4.340 0.000 0.000 0.286 529 L C 0.331 177.234 176.870 0.055 0.000 1.023 529 L CA -0.393 54.497 54.840 0.084 0.000 0.812 529 L CB 1.706 43.799 42.059 0.055 0.000 1.223 529 L HN 0.787 nan 8.230 nan 0.000 0.421 530 L N 2.450 123.696 121.223 0.038 0.000 2.590 530 L HA 0.223 4.563 4.340 0.000 0.000 0.227 530 L C 0.601 177.469 176.870 -0.003 0.000 1.099 530 L CA 0.302 55.145 54.840 0.006 0.000 0.872 530 L CB 0.079 42.141 42.059 0.005 0.000 1.088 530 L HN 0.612 nan 8.230 nan 0.000 0.479 531 N N 0.695 119.399 118.700 0.006 0.000 2.642 531 N HA 0.222 4.962 4.740 0.000 0.000 0.308 531 N C -0.723 174.790 175.510 0.005 0.000 1.914 531 N CA -0.081 52.970 53.050 0.002 0.000 0.893 531 N CB 1.441 39.930 38.487 0.003 0.000 1.322 531 N HN 0.116 nan 8.380 nan 0.000 0.490 532 L N 1.906 123.132 121.223 0.005 0.000 2.500 532 L HA 0.128 4.468 4.340 0.000 0.000 0.272 532 L C -0.027 176.848 176.870 0.009 0.000 1.149 532 L CA 0.626 55.471 54.840 0.007 0.000 0.897 532 L CB 0.202 42.264 42.059 0.005 0.000 1.178 532 L HN 0.107 nan 8.230 nan 0.000 0.473 533 T N 5.824 120.383 114.554 0.009 0.000 2.743 533 T HA 0.415 4.765 4.350 0.000 0.000 0.293 533 T C 0.020 174.727 174.700 0.011 0.000 0.945 533 T CA -0.483 61.623 62.100 0.010 0.000 1.030 533 T CB 0.819 69.688 68.868 0.002 0.000 0.912 533 T HN 0.369 nan 8.240 nan 0.000 0.483 534 L N 3.807 125.046 121.223 0.028 0.000 2.262 534 L HA 0.367 4.707 4.340 0.000 0.000 0.288 534 L C 0.624 177.495 176.870 0.003 0.000 1.035 534 L CA -0.935 53.921 54.840 0.027 0.000 0.820 534 L CB 0.837 42.939 42.059 0.071 0.000 1.204 534 L HN 0.528 nan 8.230 nan 0.000 0.424 535 E N 4.794 124.985 120.200 -0.015 0.000 2.374 535 E HA 0.236 4.586 4.350 0.000 0.000 0.260 535 E C -2.276 174.286 176.600 -0.064 0.000 1.101 535 E CA -1.762 54.616 56.400 -0.036 0.000 0.907 535 E CB 0.362 30.054 29.700 -0.013 0.000 1.014 535 E HN 0.285 nan 8.360 nan 0.000 0.427 536 P HA -0.005 nan 4.420 nan 0.000 0.271 536 P C -0.266 176.986 177.300 -0.080 0.000 1.216 536 P CA -0.021 62.945 63.100 -0.224 0.000 0.776 536 P CB 0.101 31.661 31.700 -0.233 0.000 0.881 537 F N -0.936 119.012 119.950 -0.004 0.000 3.004 537 F HA -0.234 4.293 4.527 0.000 0.000 0.264 537 F C 0.301 176.106 175.800 0.008 0.000 0.979 537 F CA 0.619 58.622 58.000 0.006 0.000 0.896 537 F CB -1.987 37.013 39.000 -0.001 0.000 0.813 537 F HN 0.215 nan 8.300 nan 0.000 0.804 538 S N -1.207 114.553 115.700 0.100 0.000 2.685 538 S HA 0.695 5.165 4.470 0.000 0.000 0.282 538 S C -0.548 174.072 174.600 0.032 0.000 1.159 538 S CA -1.206 57.034 58.200 0.067 0.000 0.833 538 S CB 2.826 66.048 63.200 0.036 0.000 1.151 538 S HN 0.234 nan 8.310 nan 0.000 0.485 539 E N 0.579 120.784 120.200 0.008 0.000 2.288 539 E HA 0.549 4.899 4.350 0.000 0.000 0.268 539 E C -1.142 175.383 176.600 -0.125 0.000 0.885 539 E CA -0.736 55.623 56.400 -0.068 0.000 0.767 539 E CB 2.407 32.110 29.700 0.005 0.000 1.220 539 E HN 0.313 nan 8.360 nan 0.000 0.427 540 K N 0.841 121.099 120.400 -0.235 0.000 2.422 540 K HA 0.432 4.752 4.320 0.000 0.000 0.251 540 K C -1.457 174.989 176.600 -0.256 0.000 0.933 540 K CA -0.526 55.661 56.287 -0.167 0.000 0.798 540 K CB 2.084 34.536 32.500 -0.080 0.000 1.238 540 K HN 0.353 nan 8.250 nan 0.000 0.428 541 S N 2.751 118.395 115.700 -0.093 0.000 2.596 541 S HA 0.431 4.901 4.470 0.000 0.000 0.318 541 S C -1.334 173.351 174.600 0.141 0.000 1.097 541 S CA -0.607 57.613 58.200 0.034 0.000 1.080 541 S CB 0.962 64.213 63.200 0.085 0.000 0.991 541 S HN 0.315 nan 8.310 nan 0.000 0.471 542 V N 8.279 128.297 119.914 0.173 0.000 2.370 542 V HA 0.547 4.667 4.120 0.000 0.000 0.283 542 V C -2.018 174.196 176.094 0.201 0.000 1.023 542 V CA -1.816 60.578 62.300 0.156 0.000 0.857 542 V CB 1.533 33.405 31.823 0.083 0.000 0.985 542 V HN 0.710 nan 8.190 nan 0.000 0.443 543 P HA 0.439 nan 4.420 nan 0.000 0.281 543 P C -1.203 176.018 177.300 -0.132 0.000 1.249 543 P CA -0.583 62.480 63.100 -0.063 0.000 0.810 543 P CB 2.204 33.920 31.700 0.028 0.000 1.008 544 L N 3.554 124.628 121.223 -0.249 0.000 2.404 544 L HA 0.425 4.765 4.340 0.000 0.000 0.272 544 L C -1.118 175.605 176.870 -0.245 0.000 0.980 544 L CA -0.773 53.955 54.840 -0.187 0.000 0.836 544 L CB 1.230 43.203 42.059 -0.143 0.000 1.238 544 L HN 0.456 nan 8.230 nan 0.000 0.408 545 C N 6.799 125.975 119.300 -0.206 0.000 2.394 545 C HA 0.590 5.050 4.460 0.000 0.000 0.362 545 C C 0.181 175.009 174.990 -0.270 0.000 1.268 545 C CA -0.641 58.240 59.018 -0.229 0.000 1.828 545 C CB -1.180 26.467 27.740 -0.156 0.000 2.442 545 C HN 0.731 nan 8.230 nan 0.000 0.549 546 I N 7.803 128.106 120.570 -0.444 0.000 2.328 546 I HA 0.324 4.494 4.170 0.000 0.000 0.287 546 I C -0.277 175.610 176.117 -0.384 0.000 1.012 546 I CA -0.112 60.903 61.300 -0.476 0.000 1.195 546 I CB 0.903 38.428 38.000 -0.791 0.000 1.350 546 I HN 0.497 nan 8.210 nan 0.000 0.464 547 L N 5.847 126.979 121.223 -0.152 0.000 2.307 547 L HA 0.261 4.601 4.340 0.000 0.000 0.282 547 L C 0.905 177.636 176.870 -0.231 0.000 1.051 547 L CA -0.572 54.205 54.840 -0.105 0.000 0.804 547 L CB 1.080 43.071 42.059 -0.114 0.000 1.197 547 L HN 0.529 nan 8.230 nan 0.000 0.431 548 Y N 1.685 121.718 120.300 -0.445 0.000 2.114 548 Y HA -0.283 4.267 4.550 0.000 0.000 0.282 548 Y C 2.198 177.666 175.900 -0.721 0.000 1.165 548 Y CA 1.888 59.398 58.100 -0.984 0.000 1.148 548 Y CB 0.157 38.367 38.460 -0.415 0.000 0.972 548 Y HN 0.632 nan 8.280 nan 0.000 0.504 549 E N 0.348 120.286 120.200 -0.438 0.000 2.219 549 E HA -0.183 4.167 4.350 0.000 0.000 0.198 549 E C 1.876 178.244 176.600 -0.387 0.000 0.998 549 E CA 1.242 57.402 56.400 -0.400 0.000 0.818 549 E CB -0.111 29.483 29.700 -0.176 0.000 0.741 549 E HN 0.479 nan 8.360 nan 0.000 0.477 550 K N -0.065 120.130 120.400 -0.341 0.000 2.314 550 K HA -0.050 4.270 4.320 0.000 0.000 0.198 550 K C 1.804 178.311 176.600 -0.155 0.000 1.045 550 K CA 0.555 56.716 56.287 -0.209 0.000 0.988 550 K CB -0.045 32.384 32.500 -0.119 0.000 0.783 550 K HN 0.356 nan 8.250 nan 0.000 0.484 551 Y N -0.416 119.782 120.300 -0.169 0.000 2.481 551 Y HA 0.293 4.843 4.550 0.000 0.000 0.247 551 Y C 1.672 177.476 175.900 -0.161 0.000 1.151 551 Y CA -0.732 57.296 58.100 -0.121 0.000 1.238 551 Y CB -0.327 38.105 38.460 -0.048 0.000 1.179 551 Y HN -0.089 nan 8.280 nan 0.000 0.524 552 R N 0.537 120.732 120.500 -0.507 0.000 2.096 552 R HA -0.119 4.221 4.340 0.000 0.000 0.235 552 R C 0.720 176.915 176.300 -0.175 0.000 1.127 552 R CA 1.867 57.696 56.100 -0.451 0.000 0.968 552 R CB -0.615 29.056 30.300 -1.048 0.000 0.861 552 R HN 0.184 nan 8.270 nan 0.000 0.440 553 D N 1.054 121.355 120.400 -0.165 0.000 2.097 553 D HA -0.097 4.543 4.640 0.000 0.000 0.195 553 D C 1.492 177.773 176.300 -0.032 0.000 0.989 553 D CA 1.433 55.380 54.000 -0.088 0.000 0.827 553 D CB -0.187 40.560 40.800 -0.088 0.000 0.966 553 D HN 0.351 nan 8.370 nan 0.000 0.456 554 C N 0.336 119.632 119.300 -0.007 0.000 2.906 554 C HA 0.339 4.799 4.460 0.000 0.000 0.274 554 C C 0.851 175.871 174.990 0.050 0.000 1.257 554 C CA -1.014 58.013 59.018 0.016 0.000 1.695 554 C CB -0.951 26.793 27.740 0.007 0.000 1.958 554 C HN 0.161 nan 8.230 nan 0.000 0.619 555 L N 2.925 124.200 121.223 0.086 0.000 2.499 555 L HA 0.251 4.591 4.340 0.000 0.000 0.273 555 L C 1.070 177.998 176.870 0.096 0.000 1.195 555 L CA 0.947 55.849 54.840 0.103 0.000 0.882 555 L CB 0.588 42.747 42.059 0.166 0.000 1.133 555 L HN 0.414 nan 8.230 nan 0.000 0.483 556 T N 0.267 114.881 114.554 0.100 0.000 2.824 556 T HA 0.229 4.579 4.350 0.000 0.000 0.277 556 T C 0.839 175.618 174.700 0.131 0.000 0.975 556 T CA -0.323 61.855 62.100 0.130 0.000 0.966 556 T CB 0.610 69.576 68.868 0.164 0.000 1.054 556 T HN 0.718 nan 8.240 nan 0.000 0.533 557 E N -0.012 120.278 120.200 0.150 0.000 2.472 557 E HA -0.021 4.329 4.350 0.000 0.000 0.200 557 E C 1.781 178.457 176.600 0.126 0.000 1.046 557 E CA 0.403 56.879 56.400 0.126 0.000 0.871 557 E CB -0.095 29.676 29.700 0.119 0.000 0.806 557 E HN 0.539 nan 8.360 nan 0.000 0.533 558 S N 0.660 116.454 115.700 0.156 0.000 2.558 558 S HA -0.016 4.454 4.470 0.000 0.000 0.217 558 S C 0.126 174.863 174.600 0.229 0.000 0.975 558 S CA -0.100 58.222 58.200 0.204 0.000 0.912 558 S CB 0.069 63.421 63.200 0.254 0.000 0.776 558 S HN 0.310 nan 8.310 nan 0.000 0.526 559 N N 1.166 119.919 118.700 0.088 0.000 2.725 559 N HA -0.144 4.596 4.740 0.000 0.000 0.251 559 N C -1.106 174.367 175.510 -0.062 0.000 1.031 559 N CA 0.566 53.568 53.050 -0.080 0.000 0.720 559 N CB -1.802 36.465 38.487 -0.367 0.000 0.930 559 N HN 0.420 nan 8.380 nan 0.000 0.543 560 L N 0.053 121.310 121.223 0.057 0.000 2.317 560 L HA 0.630 4.970 4.340 0.000 0.000 0.281 560 L C 0.493 177.377 176.870 0.022 0.000 1.024 560 L CA -0.617 54.273 54.840 0.083 0.000 0.810 560 L CB 1.548 43.711 42.059 0.173 0.000 1.240 560 L HN 0.033 nan 8.230 nan 0.000 0.427 561 I N 2.908 123.483 120.570 0.009 0.000 2.533 561 I HA 0.323 4.493 4.170 0.000 0.000 0.290 561 I C -0.497 175.640 176.117 0.034 0.000 1.056 561 I CA -0.639 60.662 61.300 0.002 0.000 1.057 561 I CB 2.491 40.475 38.000 -0.027 0.000 1.240 561 I HN 0.534 nan 8.210 nan 0.000 0.423 562 K N 6.214 126.634 120.400 0.032 0.000 2.293 562 K HA 0.566 4.886 4.320 0.000 0.000 0.267 562 K C -1.339 175.282 176.600 0.036 0.000 1.010 562 K CA -0.455 55.855 56.287 0.039 0.000 0.875 562 K CB 1.394 33.912 32.500 0.029 0.000 1.106 562 K HN 0.384 nan 8.250 nan 0.000 0.450 563 V N 4.809 124.750 119.914 0.045 0.000 2.509 563 V HA 0.418 4.538 4.120 0.000 0.000 0.284 563 V C 0.086 176.210 176.094 0.051 0.000 1.047 563 V CA -0.613 61.713 62.300 0.045 0.000 0.952 563 V CB 1.310 33.163 31.823 0.050 0.000 0.988 563 V HN 0.766 nan 8.190 nan 0.000 0.469 564 R N 2.864 123.398 120.500 0.056 0.000 2.686 564 R HA 0.814 5.154 4.340 0.000 0.000 0.286 564 R C -1.184 175.168 176.300 0.087 0.000 0.969 564 R CA -0.459 55.681 56.100 0.067 0.000 0.898 564 R CB 2.012 32.352 30.300 0.067 0.000 1.183 564 R HN 0.827 nan 8.270 nan 0.000 0.456 565 A N 4.077 126.948 122.820 0.085 0.000 2.427 565 A HA 0.544 4.864 4.320 0.000 0.000 0.298 565 A C -2.019 175.617 177.584 0.086 0.000 1.036 565 A CA -0.610 51.483 52.037 0.093 0.000 0.701 565 A CB 1.673 20.721 19.000 0.081 0.000 1.250 565 A HN 0.525 nan 8.150 nan 0.000 0.412 566 L N 2.691 123.970 121.223 0.094 0.000 2.376 566 L HA 0.786 5.126 4.340 0.000 0.000 0.275 566 L C -1.485 175.415 176.870 0.049 0.000 0.987 566 L CA -0.611 54.280 54.840 0.085 0.000 0.828 566 L CB 1.590 43.715 42.059 0.110 0.000 1.249 566 L HN 0.708 nan 8.230 nan 0.000 0.409 567 L N 6.397 127.629 121.223 0.015 0.000 2.313 567 L HA 0.804 5.144 4.340 0.000 0.000 0.283 567 L C -1.269 175.530 176.870 -0.119 0.000 1.013 567 L CA -0.414 54.400 54.840 -0.043 0.000 0.816 567 L CB 1.810 43.838 42.059 -0.051 0.000 1.236 567 L HN 0.487 nan 8.230 nan 0.000 0.419 568 V N 4.314 124.117 119.914 -0.185 0.000 2.588 568 V HA 0.717 4.837 4.120 0.000 0.000 0.304 568 V C -1.034 174.861 176.094 -0.330 0.000 1.042 568 V CA -0.392 61.680 62.300 -0.381 0.000 0.877 568 V CB 1.893 33.397 31.823 -0.531 0.000 0.996 568 V HN 0.940 nan 8.190 nan 0.000 0.425 569 E N 9.250 129.221 120.200 -0.382 0.000 2.073 569 E HA 0.531 4.881 4.350 0.000 0.000 0.269 569 E C -2.013 174.423 176.600 -0.273 0.000 0.917 569 E CA -2.120 54.108 56.400 -0.287 0.000 0.757 569 E CB 1.829 31.316 29.700 -0.356 0.000 1.111 569 E HN 0.493 nan 8.360 nan 0.000 0.410 570 P HA -0.201 nan 4.420 nan 0.000 0.218 570 P C 1.147 178.382 177.300 -0.107 0.000 1.148 570 P CA 0.709 63.716 63.100 -0.156 0.000 0.822 570 P CB 0.298 31.935 31.700 -0.104 0.000 0.784 571 V N 1.174 121.045 119.914 -0.071 0.000 2.214 571 V HA -0.238 3.882 4.120 0.000 0.000 0.244 571 V C 2.700 178.769 176.094 -0.042 0.000 1.045 571 V CA 2.103 64.383 62.300 -0.033 0.000 0.993 571 V CB -1.128 30.702 31.823 0.011 0.000 0.633 571 V HN -0.023 nan 8.190 nan 0.000 0.449 572 I N 0.096 120.635 120.570 -0.051 0.000 3.001 572 I HA -0.021 4.149 4.170 0.000 0.000 0.268 572 I C 1.049 177.112 176.117 -0.090 0.000 1.267 572 I CA 0.795 62.065 61.300 -0.049 0.000 1.472 572 I CB -0.574 37.400 38.000 -0.045 0.000 1.089 572 I HN 0.595 nan 8.210 nan 0.000 0.468 573 N N 1.144 119.746 118.700 -0.163 0.000 2.746 573 N HA -0.200 4.540 4.740 0.000 0.000 0.250 573 N C -0.216 175.106 175.510 -0.315 0.000 1.055 573 N CA 0.675 53.570 53.050 -0.260 0.000 0.699 573 N CB -0.963 37.410 38.487 -0.191 0.000 0.919 573 N HN 0.315 nan 8.380 nan 0.000 0.548 574 S N 0.734 116.213 115.700 -0.368 0.000 2.489 574 S HA 0.622 5.092 4.470 0.000 0.000 0.291 574 S C -0.989 173.309 174.600 -0.503 0.000 1.151 574 S CA -0.441 57.585 58.200 -0.289 0.000 1.082 574 S CB 0.443 63.518 63.200 -0.209 0.000 1.019 574 S HN 0.271 nan 8.310 nan 0.000 0.492 575 Y N 3.648 123.902 120.300 -0.077 0.000 2.328 575 Y HA 0.554 5.104 4.550 0.000 0.000 0.333 575 Y C -0.370 175.497 175.900 -0.054 0.000 0.958 575 Y CA -0.840 57.225 58.100 -0.059 0.000 1.167 575 Y CB 1.367 39.814 38.460 -0.021 0.000 1.151 575 Y HN 0.472 nan 8.280 nan 0.000 0.470 576 L N 5.192 126.435 121.223 0.032 0.000 2.287 576 L HA 0.522 4.862 4.340 0.000 0.000 0.287 576 L C -1.252 175.644 176.870 0.043 0.000 1.022 576 L CA -0.648 54.200 54.840 0.014 0.000 0.814 576 L CB 0.941 42.977 42.059 -0.037 0.000 1.217 576 L HN 0.633 nan 8.230 nan 0.000 0.420 577 L N 4.573 125.822 121.223 0.043 0.000 2.329 577 L HA 0.900 5.240 4.340 0.000 0.000 0.279 577 L C -0.867 176.027 176.870 0.040 0.000 1.014 577 L CA -0.531 54.337 54.840 0.047 0.000 0.814 577 L CB 1.766 43.849 42.059 0.039 0.000 1.257 577 L HN 0.783 nan 8.230 nan 0.000 0.424 578 A N 4.540 127.389 122.820 0.049 0.000 2.459 578 A HA 0.716 5.036 4.320 0.000 0.000 0.296 578 A C -1.265 176.352 177.584 0.055 0.000 1.039 578 A CA -0.554 51.514 52.037 0.052 0.000 0.698 578 A CB 1.669 20.705 19.000 0.060 0.000 1.261 578 A HN 0.774 nan 8.150 nan 0.000 0.405 579 E N 0.589 120.820 120.200 0.052 0.000 2.393 579 E HA 0.734 5.084 4.350 0.000 0.000 0.273 579 E C -0.894 175.741 176.600 0.059 0.000 0.918 579 E CA -0.948 55.483 56.400 0.052 0.000 0.773 579 E CB 2.958 32.681 29.700 0.038 0.000 1.275 579 E HN 0.596 nan 8.360 nan 0.000 0.451 580 R N 1.251 121.787 120.500 0.061 0.000 2.594 580 R HA 0.193 4.533 4.340 0.000 0.000 0.265 580 R C -1.842 174.501 176.300 0.072 0.000 1.070 580 R CA -0.545 55.595 56.100 0.068 0.000 0.909 580 R CB 1.479 31.820 30.300 0.068 0.000 1.243 580 R HN 0.503 nan 8.270 nan 0.000 0.455 581 D N 4.337 124.789 120.400 0.088 0.000 2.373 581 D HA 0.235 4.875 4.640 0.000 0.000 0.227 581 D C -0.383 175.980 176.300 0.104 0.000 1.091 581 D CA -0.425 53.637 54.000 0.103 0.000 0.840 581 D CB 1.609 42.495 40.800 0.143 0.000 1.060 581 D HN 0.143 nan 8.370 nan 0.000 0.502 582 L N 2.477 123.743 121.223 0.071 0.000 2.350 582 L HA 0.220 4.560 4.340 0.000 0.000 0.275 582 L C -0.338 176.565 176.870 0.056 0.000 1.099 582 L CA -0.541 54.312 54.840 0.022 0.000 0.808 582 L CB 0.286 42.324 42.059 -0.035 0.000 1.149 582 L HN 0.309 nan 8.230 nan 0.000 0.442 583 Y N 3.591 123.828 120.300 -0.105 0.000 2.334 583 Y HA 0.534 5.084 4.550 0.000 0.000 0.336 583 Y C -0.791 174.985 175.900 -0.208 0.000 0.960 583 Y CA -0.866 57.198 58.100 -0.060 0.000 1.164 583 Y CB 0.903 39.431 38.460 0.114 0.000 1.155 583 Y HN 0.386 nan 8.280 nan 0.000 0.478 584 L N 5.648 126.396 121.223 -0.792 0.000 2.290 584 L HA 0.293 4.633 4.340 0.000 0.000 0.284 584 L C 0.038 176.419 176.870 -0.815 0.000 1.078 584 L CA -0.546 53.886 54.840 -0.679 0.000 0.815 584 L CB 1.028 42.807 42.059 -0.467 0.000 1.162 584 L HN 0.637 nan 8.230 nan 0.000 0.435 585 E N 2.949 122.891 120.200 -0.430 0.000 2.338 585 E HA 0.111 4.461 4.350 0.000 0.000 0.272 585 E C -0.409 176.133 176.600 -0.096 0.000 1.029 585 E CA -0.228 56.087 56.400 -0.142 0.000 0.872 585 E CB 0.656 30.355 29.700 -0.001 0.000 1.015 585 E HN 0.383 nan 8.360 nan 0.000 0.417 586 N N 3.988 122.689 118.700 0.002 0.000 2.463 586 N HA 0.329 5.069 4.740 0.000 0.000 0.270 586 N C -2.341 173.178 175.510 0.014 0.000 1.205 586 N CA -1.342 51.714 53.050 0.010 0.000 0.974 586 N CB 0.462 38.986 38.487 0.061 0.000 1.197 586 N HN 0.432 nan 8.380 nan 0.000 0.504 587 P HA 0.067 nan 4.420 nan 0.000 0.272 587 P C -0.393 176.900 177.300 -0.013 0.000 1.223 587 P CA -0.108 62.972 63.100 -0.032 0.000 0.784 587 P CB 0.966 32.618 31.700 -0.080 0.000 0.923 588 E N 1.373 121.568 120.200 -0.009 0.000 2.366 588 E HA 0.227 4.577 4.350 0.000 0.000 0.266 588 E C -0.517 176.080 176.600 -0.006 0.000 1.051 588 E CA -0.543 55.858 56.400 0.002 0.000 0.884 588 E CB 0.384 30.080 29.700 -0.007 0.000 1.006 588 E HN 0.349 nan 8.360 nan 0.000 0.417 589 I N 5.089 125.669 120.570 0.017 0.000 2.307 589 I HA 0.137 4.307 4.170 0.000 0.000 0.289 589 I C -0.051 176.058 176.117 -0.013 0.000 1.021 589 I CA -0.800 60.523 61.300 0.037 0.000 1.224 589 I CB 0.869 38.942 38.000 0.121 0.000 1.376 589 I HN 0.260 nan 8.210 nan 0.000 0.470 590 K N 7.852 128.232 120.400 -0.032 0.000 2.368 590 K HA 0.453 4.773 4.320 0.000 0.000 0.282 590 K C -0.457 176.100 176.600 -0.073 0.000 1.035 590 K CA -0.041 56.212 56.287 -0.057 0.000 0.973 590 K CB 1.252 33.719 32.500 -0.055 0.000 0.957 590 K HN 0.542 nan 8.250 nan 0.000 0.474 591 I N 3.528 124.051 120.570 -0.078 0.000 2.476 591 I HA 0.253 4.423 4.170 0.000 0.000 0.281 591 I C -0.076 176.001 176.117 -0.068 0.000 1.040 591 I CA -0.594 60.659 61.300 -0.079 0.000 1.094 591 I CB 1.423 39.378 38.000 -0.075 0.000 1.219 591 I HN 0.265 nan 8.210 nan 0.000 0.450 592 R N 5.623 126.085 120.500 -0.064 0.000 2.368 592 R HA 0.584 4.924 4.340 0.000 0.000 0.302 592 R C -0.723 175.553 176.300 -0.040 0.000 1.002 592 R CA -0.741 55.329 56.100 -0.049 0.000 0.929 592 R CB 1.747 32.018 30.300 -0.047 0.000 1.073 592 R HN 0.405 nan 8.270 nan 0.000 0.464 593 I N 5.581 126.134 120.570 -0.028 0.000 2.330 593 I HA 0.206 4.376 4.170 0.000 0.000 0.286 593 I C -0.183 175.926 176.117 -0.013 0.000 1.025 593 I CA -0.389 60.901 61.300 -0.016 0.000 1.197 593 I CB 0.838 38.834 38.000 -0.005 0.000 1.358 593 I HN 0.448 nan 8.210 nan 0.000 0.467 594 L N 5.894 127.108 121.223 -0.014 0.000 2.292 594 L HA 0.749 5.089 4.340 0.000 0.000 0.284 594 L C 0.842 177.709 176.870 -0.004 0.000 1.065 594 L CA -0.283 54.550 54.840 -0.011 0.000 0.806 594 L CB 0.925 42.975 42.059 -0.015 0.000 1.175 594 L HN 0.811 nan 8.230 nan 0.000 0.431 595 G N 2.788 111.586 108.800 -0.002 0.000 2.661 595 G HA2 -0.149 3.811 3.960 0.000 0.000 0.685 595 G HA3 -0.149 3.811 3.960 0.000 0.000 0.685 595 G C -0.865 174.038 174.900 0.006 0.000 1.298 595 G CA -0.858 44.243 45.100 0.002 0.000 0.855 595 G HN 0.643 nan 8.290 nan 0.000 0.560 596 E N 1.596 121.800 120.200 0.008 0.000 2.229 596 E HA 0.361 4.711 4.350 0.000 0.000 0.283 596 E C -1.928 174.682 176.600 0.017 0.000 1.030 596 E CA -1.472 54.935 56.400 0.011 0.000 0.836 596 E CB 1.464 31.170 29.700 0.010 0.000 1.068 596 E HN 0.342 nan 8.360 nan 0.000 0.401 597 P HA 0.077 nan 4.420 nan 0.000 0.263 597 P C -1.105 176.217 177.300 0.037 0.000 1.601 597 P CA 0.137 63.257 63.100 0.034 0.000 1.161 597 P CB 0.174 31.895 31.700 0.035 0.000 1.730 598 K N 1.719 122.141 120.400 0.036 0.000 2.371 598 K HA 0.273 4.593 4.320 0.000 0.000 0.251 598 K C -0.033 176.592 176.600 0.041 0.000 0.934 598 K CA -0.929 55.379 56.287 0.035 0.000 0.798 598 K CB 2.243 34.757 32.500 0.023 0.000 1.204 598 K HN 0.267 nan 8.250 nan 0.000 0.427 599 Q N 2.197 122.023 119.800 0.044 0.000 2.304 599 Q HA -0.116 4.224 4.340 0.000 0.000 0.301 599 Q C -0.626 175.386 176.000 0.020 0.000 1.063 599 Q CA 0.642 56.469 55.803 0.040 0.000 0.947 599 Q CB 0.311 29.070 28.738 0.034 0.000 1.201 599 Q HN 0.457 nan 8.270 nan 0.000 0.389 600 K N 2.268 122.675 120.400 0.012 0.000 3.974 600 K HA -0.228 4.092 4.320 0.000 0.000 0.280 600 K C -1.809 174.796 176.600 0.009 0.000 0.949 600 K CA 1.143 57.432 56.287 0.002 0.000 0.817 600 K CB -0.822 31.672 32.500 -0.010 0.000 1.535 600 K HN 0.724 nan 8.250 nan 0.000 0.444 601 R N 1.725 122.233 120.500 0.015 0.000 2.579 601 R HA 0.185 4.525 4.340 0.000 0.000 0.260 601 R C -0.769 175.540 176.300 0.015 0.000 1.103 601 R CA -1.097 55.011 56.100 0.014 0.000 0.942 601 R CB 0.884 31.194 30.300 0.016 0.000 1.251 601 R HN 0.147 nan 8.270 nan 0.000 0.450 602 K N 2.556 122.963 120.400 0.011 0.000 2.530 602 K HA 0.028 4.348 4.320 0.000 0.000 0.280 602 K C -0.402 176.206 176.600 0.012 0.000 1.004 602 K CA 0.271 56.565 56.287 0.010 0.000 1.071 602 K CB 0.245 32.749 32.500 0.007 0.000 0.876 602 K HN 0.253 nan 8.250 nan 0.000 0.487 603 L N 3.808 125.039 121.223 0.013 0.000 2.438 603 L HA 0.350 4.690 4.340 0.000 0.000 0.270 603 L C -1.043 175.831 176.870 0.006 0.000 0.972 603 L CA -0.852 53.996 54.840 0.013 0.000 0.831 603 L CB 2.103 44.176 42.059 0.024 0.000 1.273 603 L HN 0.214 nan 8.230 nan 0.000 0.405 604 V N 3.575 123.488 119.914 -0.001 0.000 2.459 604 V HA 0.794 4.914 4.120 0.000 0.000 0.295 604 V C 0.223 176.307 176.094 -0.017 0.000 1.029 604 V CA -0.688 61.606 62.300 -0.010 0.000 0.874 604 V CB 1.685 33.500 31.823 -0.014 0.000 0.985 604 V HN 0.891 nan 8.190 nan 0.000 0.438 605 A N 3.734 126.538 122.820 -0.026 0.000 2.287 605 A HA 0.658 4.978 4.320 0.000 0.000 0.317 605 A C -0.258 177.283 177.584 -0.072 0.000 1.220 605 A CA -0.523 51.490 52.037 -0.040 0.000 0.835 605 A CB 0.703 19.684 19.000 -0.031 0.000 1.180 605 A HN 0.845 nan 8.150 nan 0.000 0.500 606 E N 2.543 122.694 120.200 -0.082 0.000 2.109 606 E HA 0.469 4.819 4.350 0.000 0.000 0.278 606 E C -0.716 175.786 176.600 -0.163 0.000 0.954 606 E CA -0.490 55.841 56.400 -0.115 0.000 0.779 606 E CB 1.025 30.674 29.700 -0.084 0.000 1.093 606 E HN 0.633 nan 8.360 nan 0.000 0.401 607 V N 1.887 121.633 119.914 -0.280 0.000 2.581 607 V HA 0.859 4.979 4.120 0.000 0.000 0.303 607 V C -0.422 175.378 176.094 -0.490 0.000 1.041 607 V CA -0.402 61.670 62.300 -0.380 0.000 0.907 607 V CB 1.409 32.925 31.823 -0.512 0.000 0.994 607 V HN 0.671 nan 8.190 nan 0.000 0.442 608 S N 4.427 119.967 115.700 -0.266 0.000 2.588 608 S HA 0.919 5.389 4.470 0.000 0.000 0.269 608 S C -1.172 173.444 174.600 0.026 0.000 1.157 608 S CA -0.485 57.651 58.200 -0.108 0.000 0.824 608 S CB 1.700 64.852 63.200 -0.081 0.000 1.126 608 S HN 2.316 nan 8.310 nan 0.000 0.464 609 L N -1.458 119.790 121.223 0.042 0.000 2.600 609 L HA 0.793 5.133 4.340 0.000 0.000 0.257 609 L C -1.183 175.631 176.870 -0.094 0.000 1.048 609 L CA -0.712 54.091 54.840 -0.062 0.000 0.869 609 L CB 1.608 43.551 42.059 -0.194 0.000 1.482 609 L HN 0.956 nan 8.230 nan 0.000 0.408 610 Q N 1.428 121.165 119.800 -0.105 0.000 2.331 610 Q HA 0.422 4.762 4.340 0.000 0.000 0.267 610 Q C -0.876 175.061 176.000 -0.105 0.000 1.006 610 Q CA -0.661 55.092 55.803 -0.083 0.000 0.818 610 Q CB 1.370 30.075 28.738 -0.055 0.000 1.276 610 Q HN 0.795 nan 8.270 nan 0.000 0.450 611 N N 5.653 124.300 118.700 -0.089 0.000 2.417 611 N HA 0.002 4.742 4.740 0.000 0.000 0.272 611 N C -1.832 173.633 175.510 -0.074 0.000 1.304 611 N CA -1.135 51.867 53.050 -0.080 0.000 0.906 611 N CB 0.979 39.442 38.487 -0.039 0.000 1.135 611 N HN 0.496 nan 8.380 nan 0.000 0.483 612 P HA 0.002 nan 4.420 nan 0.000 0.240 612 P C 0.121 177.337 177.300 -0.141 0.000 1.190 612 P CA 0.461 63.506 63.100 -0.093 0.000 0.781 612 P CB 0.499 32.151 31.700 -0.081 0.000 0.931 613 L N 1.969 123.103 121.223 -0.147 0.000 2.439 613 L HA 0.243 4.583 4.340 0.000 0.000 0.261 613 L C -0.931 175.826 176.870 -0.188 0.000 1.153 613 L CA -1.963 52.731 54.840 -0.243 0.000 0.808 613 L CB 0.522 42.492 42.059 -0.149 0.000 1.126 613 L HN -0.207 nan 8.230 nan 0.000 0.460 614 P HA 0.007 nan 4.420 nan 0.000 0.249 614 P C -0.133 177.139 177.300 -0.046 0.000 1.229 614 P CA 0.464 63.494 63.100 -0.116 0.000 0.788 614 P CB 0.262 31.896 31.700 -0.111 0.000 1.072 615 V N -4.009 115.887 119.914 -0.030 0.000 3.164 615 V HA 0.903 5.023 4.120 0.000 0.000 0.313 615 V C -0.361 175.740 176.094 0.011 0.000 1.188 615 V CA -1.630 60.678 62.300 0.012 0.000 1.058 615 V CB 1.161 33.015 31.823 0.052 0.000 1.110 615 V HN -0.011 nan 8.190 nan 0.000 0.453 616 A N 1.156 123.989 122.820 0.022 0.000 2.322 616 A HA 0.750 5.070 4.320 0.000 0.000 0.269 616 A C -0.641 176.967 177.584 0.041 0.000 1.094 616 A CA -0.406 51.647 52.037 0.027 0.000 0.807 616 A CB 0.325 19.339 19.000 0.023 0.000 1.047 616 A HN 0.825 nan 8.150 nan 0.000 0.487 617 L N 1.670 122.925 121.223 0.053 0.000 2.289 617 L HA 0.468 4.808 4.340 0.000 0.000 0.285 617 L C 0.323 177.226 176.870 0.056 0.000 1.049 617 L CA 0.443 55.328 54.840 0.075 0.000 0.804 617 L CB 1.043 43.182 42.059 0.134 0.000 1.195 617 L HN 0.822 nan 8.230 nan 0.000 0.428 618 E N 1.119 121.337 120.200 0.030 0.000 2.288 618 E HA 0.600 4.950 4.350 0.000 0.000 0.268 618 E C 0.138 176.722 176.600 -0.027 0.000 0.885 618 E CA -0.332 56.072 56.400 0.008 0.000 0.767 618 E CB 1.766 31.469 29.700 0.006 0.000 1.220 618 E HN 0.718 nan 8.360 nan 0.000 0.427 619 G N 1.492 110.270 108.800 -0.037 0.000 2.198 619 G HA2 -0.281 3.679 3.960 0.000 0.000 0.257 619 G HA3 -0.281 3.679 3.960 0.000 0.000 0.257 619 G C 0.143 174.954 174.900 -0.149 0.000 1.042 619 G CA -0.144 44.911 45.100 -0.074 0.000 0.791 619 G HN 0.557 nan 8.290 nan 0.000 0.502 620 C N 0.758 119.978 119.300 -0.134 0.000 2.642 620 C HA 0.572 5.032 4.460 0.000 0.000 0.420 620 C C 0.977 175.789 174.990 -0.296 0.000 1.349 620 C CA 0.647 59.496 59.018 -0.282 0.000 1.821 620 C CB -0.128 27.610 27.740 -0.003 0.000 2.637 620 C HN 0.609 nan 8.230 nan 0.000 0.605 621 T N 3.586 117.801 114.554 -0.565 0.000 3.071 621 T HA 0.423 4.773 4.350 0.000 0.000 0.311 621 T C -0.852 173.611 174.700 -0.394 0.000 1.042 621 T CA -0.189 61.717 62.100 -0.323 0.000 1.028 621 T CB 0.619 69.331 68.868 -0.261 0.000 1.068 621 T HN 0.336 nan 8.240 nan 0.000 0.451 622 F N 1.962 121.885 119.950 -0.045 0.000 2.422 622 F HA 0.657 5.184 4.527 0.000 0.000 0.333 622 F C 0.888 176.686 175.800 -0.002 0.000 1.095 622 F CA -0.313 57.709 58.000 0.036 0.000 1.038 622 F CB 1.919 40.983 39.000 0.106 0.000 1.156 622 F HN 0.397 nan 8.300 nan 0.000 0.483 623 T N 2.425 117.101 114.554 0.203 0.000 2.886 623 T HA 0.717 5.067 4.350 0.000 0.000 0.292 623 T C -1.086 173.677 174.700 0.106 0.000 1.012 623 T CA -0.707 61.451 62.100 0.097 0.000 0.982 623 T CB 1.857 70.732 68.868 0.013 0.000 1.018 623 T HN 0.294 nan 8.240 nan 0.000 0.451 624 V N 2.344 122.298 119.914 0.067 0.000 3.007 624 V HA 0.853 4.973 4.120 0.000 0.000 0.311 624 V C -0.755 175.347 176.094 0.013 0.000 1.120 624 V CA -0.854 61.475 62.300 0.048 0.000 0.980 624 V CB 2.255 34.108 31.823 0.050 0.000 1.033 624 V HN 1.108 nan 8.190 nan 0.000 0.429 625 E N 1.653 121.851 120.200 -0.004 0.000 2.427 625 E HA 0.723 5.073 4.350 0.000 0.000 0.279 625 E C -0.746 175.833 176.600 -0.036 0.000 1.120 625 E CA -0.623 55.762 56.400 -0.026 0.000 0.869 625 E CB 1.950 31.620 29.700 -0.049 0.000 1.393 625 E HN 1.385 nan 8.360 nan 0.000 0.443 626 G N -0.209 108.562 108.800 -0.048 0.000 2.046 626 G HA2 0.485 4.445 3.960 0.000 0.000 0.245 626 G HA3 0.485 4.445 3.960 0.000 0.000 0.245 626 G C -0.856 173.999 174.900 -0.076 0.000 1.723 626 G CA -0.372 44.697 45.100 -0.052 0.000 0.909 626 G HN 0.804 nan 8.290 nan 0.000 0.737 627 A N 0.879 123.646 122.820 -0.088 0.000 2.515 627 A HA 0.649 4.969 4.320 0.000 0.000 0.263 627 A C 1.665 179.052 177.584 -0.328 0.000 1.096 627 A CA 1.598 53.554 52.037 -0.136 0.000 0.769 627 A CB -0.018 18.930 19.000 -0.086 0.000 1.040 627 A HN 2.828 nan 8.150 nan 0.000 0.505 628 G N 1.086 109.649 108.800 -0.395 0.000 2.278 628 G HA2 -0.162 3.798 3.960 0.000 0.000 0.210 628 G HA3 -0.162 3.798 3.960 0.000 0.000 0.210 628 G C 0.417 175.110 174.900 -0.345 0.000 1.000 628 G CA 0.324 44.988 45.100 -0.726 0.000 0.635 628 G HN 0.709 nan 8.290 nan 0.000 0.495 629 L N 1.564 122.683 121.223 -0.174 0.000 2.575 629 L HA 0.426 4.766 4.340 0.000 0.000 0.228 629 L C 1.188 178.059 176.870 0.000 0.000 1.075 629 L CA 1.952 56.775 54.840 -0.028 0.000 0.867 629 L CB 0.062 42.129 42.059 0.013 0.000 1.097 629 L HN 0.621 nan 8.230 nan 0.000 0.485 630 T N -4.653 109.897 114.554 -0.008 0.000 2.942 630 T HA 0.334 4.684 4.350 0.000 0.000 0.327 630 T C 0.310 175.019 174.700 0.015 0.000 1.360 630 T CA -0.676 61.430 62.100 0.011 0.000 1.055 630 T CB 1.992 70.865 68.868 0.009 0.000 1.261 630 T HN -0.170 nan 8.240 nan 0.000 0.485 631 E N 0.371 120.588 120.200 0.029 0.000 2.415 631 E HA 0.149 4.499 4.350 0.000 0.000 0.197 631 E C 0.156 176.772 176.600 0.028 0.000 1.007 631 E CA 0.491 56.913 56.400 0.037 0.000 0.890 631 E CB 0.578 30.306 29.700 0.048 0.000 0.891 631 E HN 0.637 nan 8.360 nan 0.000 0.496 632 E N 1.025 121.239 120.200 0.022 0.000 2.256 632 E HA 0.209 4.559 4.350 0.000 0.000 0.267 632 E C -0.449 176.161 176.600 0.016 0.000 0.892 632 E CA -0.542 55.871 56.400 0.021 0.000 0.775 632 E CB 2.156 31.869 29.700 0.022 0.000 1.207 632 E HN -0.029 nan 8.360 nan 0.000 0.420 633 Q N 2.506 122.317 119.800 0.018 0.000 2.304 633 Q HA 0.092 4.432 4.340 0.000 0.000 0.260 633 Q C -0.719 175.293 176.000 0.019 0.000 0.965 633 Q CA -0.156 55.656 55.803 0.014 0.000 0.898 633 Q CB 0.636 29.386 28.738 0.019 0.000 1.196 633 Q HN 0.146 nan 8.270 nan 0.000 0.402 634 K N 2.857 123.270 120.400 0.021 0.000 2.123 634 K HA 0.469 4.789 4.320 0.000 0.000 0.259 634 K C -0.846 175.776 176.600 0.036 0.000 0.960 634 K CA -0.448 55.855 56.287 0.027 0.000 0.872 634 K CB 2.017 34.532 32.500 0.025 0.000 1.079 634 K HN 0.627 nan 8.250 nan 0.000 0.440 635 T N 0.530 115.106 114.554 0.037 0.000 2.912 635 T HA 0.466 4.816 4.350 0.000 0.000 0.299 635 T C -0.996 173.737 174.700 0.054 0.000 1.052 635 T CA -0.633 61.493 62.100 0.044 0.000 0.996 635 T CB 1.847 70.727 68.868 0.019 0.000 1.070 635 T HN 0.183 nan 8.240 nan 0.000 0.465 636 V N 2.778 122.742 119.914 0.085 0.000 2.612 636 V HA 0.370 4.490 4.120 0.000 0.000 0.301 636 V C -0.435 175.716 176.094 0.096 0.000 1.059 636 V CA -0.910 61.444 62.300 0.089 0.000 0.886 636 V CB 1.929 33.817 31.823 0.108 0.000 1.007 636 V HN 0.874 nan 8.190 nan 0.000 0.426 637 E N 4.641 124.874 120.200 0.054 0.000 2.250 637 E HA 0.572 4.922 4.350 0.000 0.000 0.269 637 E C -1.050 175.585 176.600 0.059 0.000 1.018 637 E CA -0.837 55.582 56.400 0.031 0.000 0.873 637 E CB 1.895 31.597 29.700 0.002 0.000 1.134 637 E HN 0.395 nan 8.360 nan 0.000 0.403 638 I N 3.398 124.001 120.570 0.055 0.000 2.354 638 I HA 0.134 4.304 4.170 0.000 0.000 0.286 638 I C -1.389 174.753 176.117 0.042 0.000 1.007 638 I CA -2.358 58.987 61.300 0.075 0.000 1.167 638 I CB 0.671 38.743 38.000 0.121 0.000 1.320 638 I HN 0.411 nan 8.210 nan 0.000 0.458 639 P HA -0.116 nan 4.420 nan 0.000 0.215 639 P C 0.044 177.358 177.300 0.023 0.000 1.157 639 P CA 1.323 64.437 63.100 0.023 0.000 0.874 639 P CB 0.441 32.154 31.700 0.023 0.000 0.790 640 D N 0.745 121.164 120.400 0.032 0.000 2.229 640 D HA 0.256 4.896 4.640 0.000 0.000 0.249 640 D C -2.011 174.311 176.300 0.037 0.000 1.027 640 D CA -1.624 52.394 54.000 0.030 0.000 0.923 640 D CB 0.608 41.425 40.800 0.028 0.000 1.174 640 D HN 0.169 nan 8.370 nan 0.000 0.443 641 P HA 0.039 nan 4.420 nan 0.000 0.269 641 P C -0.443 176.884 177.300 0.046 0.000 1.209 641 P CA -0.282 62.840 63.100 0.037 0.000 0.776 641 P CB 0.766 32.482 31.700 0.026 0.000 0.876 642 V N 2.756 122.705 119.914 0.059 0.000 2.333 642 V HA 0.154 4.274 4.120 0.000 0.000 0.274 642 V C 0.788 176.905 176.094 0.038 0.000 1.028 642 V CA -0.409 61.926 62.300 0.058 0.000 0.851 642 V CB 0.371 32.246 31.823 0.087 0.000 1.000 642 V HN 0.504 nan 8.190 nan 0.000 0.456 643 E N 3.077 123.292 120.200 0.025 0.000 2.408 643 E HA 0.388 4.738 4.350 0.000 0.000 0.259 643 E C 1.422 178.024 176.600 0.003 0.000 1.110 643 E CA 0.709 57.117 56.400 0.014 0.000 0.929 643 E CB 1.014 30.720 29.700 0.010 0.000 0.971 643 E HN 0.706 nan 8.360 nan 0.000 0.438 644 A N 2.439 125.256 122.820 -0.004 0.000 1.944 644 A HA -0.299 4.021 4.320 0.000 0.000 0.222 644 A C 1.870 179.439 177.584 -0.026 0.000 1.237 644 A CA 2.704 54.730 52.037 -0.020 0.000 0.668 644 A CB -1.190 17.797 19.000 -0.022 0.000 0.830 644 A HN 0.677 nan 8.150 nan 0.000 0.471 645 G N -1.410 107.379 108.800 -0.019 0.000 2.762 645 G HA2 0.256 4.216 3.960 0.000 0.000 0.209 645 G HA3 0.256 4.216 3.960 0.000 0.000 0.209 645 G C 0.351 175.239 174.900 -0.019 0.000 1.134 645 G CA 0.124 45.211 45.100 -0.022 0.000 0.781 645 G HN 0.435 nan 8.290 nan 0.000 0.528 646 E N 1.231 121.425 120.200 -0.010 0.000 2.461 646 E HA 0.141 4.491 4.350 0.000 0.000 0.263 646 E C 0.432 177.028 176.600 -0.007 0.000 1.143 646 E CA 0.175 56.573 56.400 -0.003 0.000 0.994 646 E CB 0.575 30.280 29.700 0.009 0.000 0.973 646 E HN 0.738 nan 8.360 nan 0.000 0.457 647 E N -0.831 119.369 120.200 -0.001 0.000 2.235 647 E HA 0.555 4.905 4.350 0.000 0.000 0.265 647 E C -1.101 175.518 176.600 0.031 0.000 0.940 647 E CA -0.951 55.448 56.400 -0.002 0.000 0.819 647 E CB 1.430 31.125 29.700 -0.008 0.000 1.206 647 E HN 0.100 nan 8.360 nan 0.000 0.409 648 V N 1.261 121.211 119.914 0.059 0.000 2.604 648 V HA 0.566 4.686 4.120 0.000 0.000 0.305 648 V C -0.493 175.683 176.094 0.137 0.000 1.043 648 V CA -0.857 61.532 62.300 0.148 0.000 0.888 648 V CB 1.307 33.303 31.823 0.288 0.000 0.995 648 V HN 0.785 nan 8.190 nan 0.000 0.429 649 K N 3.234 123.686 120.400 0.088 0.000 2.525 649 K HA 0.825 5.145 4.320 0.000 0.000 0.254 649 K C -1.442 175.131 176.600 -0.045 0.000 0.934 649 K CA -0.534 55.737 56.287 -0.027 0.000 0.802 649 K CB 2.512 34.992 32.500 -0.034 0.000 1.295 649 K HN 0.792 nan 8.250 nan 0.000 0.433 650 V N -0.062 119.753 119.914 -0.165 0.000 3.206 650 V HA 0.718 4.838 4.120 0.000 0.000 0.305 650 V C -1.664 174.341 176.094 -0.148 0.000 1.257 650 V CA -1.118 61.113 62.300 -0.114 0.000 1.057 650 V CB 2.056 33.845 31.823 -0.057 0.000 1.075 650 V HN 0.848 nan 8.190 nan 0.000 0.443 651 R N 2.801 123.251 120.500 -0.083 0.000 2.534 651 R HA 0.734 5.074 4.340 0.000 0.000 0.301 651 R C -1.272 175.000 176.300 -0.047 0.000 0.961 651 R CA -0.852 55.205 56.100 -0.071 0.000 0.871 651 R CB 1.890 32.162 30.300 -0.046 0.000 1.170 651 R HN 0.720 nan 8.270 nan 0.000 0.446 652 M N 2.036 121.608 119.600 -0.047 0.000 2.336 652 M HA 0.340 4.820 4.480 0.000 0.000 0.342 652 M C -0.530 175.763 176.300 -0.012 0.000 1.128 652 M CA -0.435 54.853 55.300 -0.021 0.000 1.016 652 M CB 1.635 34.226 32.600 -0.016 0.000 1.665 652 M HN 0.433 nan 8.290 nan 0.000 0.445 653 D N 4.109 124.507 120.400 -0.002 0.000 2.274 653 D HA 0.592 5.232 4.640 0.000 0.000 0.239 653 D C -0.561 175.744 176.300 0.007 0.000 1.104 653 D CA -0.168 53.833 54.000 0.001 0.000 0.840 653 D CB 1.880 42.682 40.800 0.003 0.000 1.100 653 D HN 0.438 nan 8.370 nan 0.000 0.477 654 L N 0.905 122.133 121.223 0.009 0.000 2.319 654 L HA 0.591 4.931 4.340 0.000 0.000 0.267 654 L C -0.165 176.715 176.870 0.017 0.000 1.011 654 L CA -1.125 53.724 54.840 0.015 0.000 0.818 654 L CB 2.204 44.275 42.059 0.018 0.000 1.316 654 L HN 0.043 nan 8.230 nan 0.000 0.432 655 V N 1.569 121.496 119.914 0.021 0.000 2.467 655 V HA 0.214 4.334 4.120 0.000 0.000 0.260 655 V C -2.333 173.778 176.094 0.029 0.000 0.963 655 V CA -1.138 61.175 62.300 0.021 0.000 0.856 655 V CB 0.944 32.776 31.823 0.015 0.000 1.087 655 V HN 0.582 nan 8.190 nan 0.000 0.467 656 P HA 0.148 nan 4.420 nan 0.000 0.267 656 P C -0.001 177.331 177.300 0.053 0.000 1.209 656 P CA -0.006 63.130 63.100 0.061 0.000 0.763 656 P CB 1.848 33.601 31.700 0.088 0.000 0.816 657 L N 3.120 124.379 121.223 0.060 0.000 2.640 657 L HA 0.238 4.578 4.340 0.000 0.000 0.230 657 L C 0.483 177.220 176.870 -0.220 0.000 1.123 657 L CA 0.449 55.240 54.840 -0.082 0.000 0.900 657 L CB -1.106 40.856 42.059 -0.163 0.000 1.146 657 L HN 0.462 nan 8.230 nan 0.000 0.484 658 H N -1.830 117.276 119.070 0.060 0.000 2.768 658 H HA 0.557 5.113 4.556 0.000 0.000 0.371 658 H C -0.156 175.331 175.328 0.265 0.000 1.151 658 H CA -0.710 55.423 56.048 0.141 0.000 1.165 658 H CB 1.357 31.203 29.762 0.139 0.000 1.722 658 H HN -0.129 nan 8.280 nan 0.000 0.543 659 M N 1.189 120.974 119.600 0.309 0.000 2.197 659 M HA 0.444 4.924 4.480 0.000 0.000 0.305 659 M C 0.687 177.075 176.300 0.147 0.000 1.162 659 M CA 0.556 55.974 55.300 0.197 0.000 1.099 659 M CB 0.962 33.627 32.600 0.109 0.000 1.430 659 M HN 0.976 nan 8.290 nan 0.000 0.481 660 G N 0.636 109.428 108.800 -0.013 0.000 2.655 660 G HA2 -0.124 3.836 3.960 0.000 0.000 0.680 660 G HA3 -0.124 3.836 3.960 0.000 0.000 0.680 660 G C -1.461 173.158 174.900 -0.469 0.000 1.302 660 G CA -0.947 44.056 45.100 -0.162 0.000 0.872 660 G HN 0.779 nan 8.290 nan 0.000 0.540 661 L N 1.505 122.509 121.223 -0.365 0.000 2.416 661 L HA 0.705 5.045 4.340 0.000 0.000 0.272 661 L C 0.063 176.620 176.870 -0.523 0.000 1.161 661 L CA -0.093 54.547 54.840 -0.333 0.000 0.845 661 L CB 0.276 42.260 42.059 -0.125 0.000 1.119 661 L HN 0.748 nan 8.230 nan 0.000 0.464 662 H N 3.776 122.873 119.070 0.044 0.000 2.974 662 H HA 0.396 4.952 4.556 0.000 0.000 0.366 662 H C -0.972 174.379 175.328 0.039 0.000 1.155 662 H CA -0.885 55.182 56.048 0.033 0.000 1.186 662 H CB 1.413 31.197 29.762 0.037 0.000 1.799 662 H HN 0.549 nan 8.280 nan 0.000 0.541 663 K N 1.986 122.474 120.400 0.146 0.000 2.211 663 K HA 0.268 4.588 4.320 0.000 0.000 0.275 663 K C -0.330 176.333 176.600 0.105 0.000 1.024 663 K CA -0.873 55.486 56.287 0.120 0.000 0.887 663 K CB 1.711 34.226 32.500 0.024 0.000 1.084 663 K HN 0.223 nan 8.250 nan 0.000 0.463 664 L N 5.295 126.595 121.223 0.129 0.000 2.261 664 L HA 0.242 4.582 4.340 0.000 0.000 0.289 664 L C -0.679 176.258 176.870 0.112 0.000 1.059 664 L CA -0.423 54.470 54.840 0.088 0.000 0.816 664 L CB 1.149 43.252 42.059 0.073 0.000 1.191 664 L HN 0.382 nan 8.230 nan 0.000 0.431 665 V N 6.427 126.377 119.914 0.061 0.000 2.472 665 V HA 0.769 4.889 4.120 0.000 0.000 0.290 665 V C -0.956 175.181 176.094 0.071 0.000 1.037 665 V CA -0.257 62.091 62.300 0.079 0.000 0.908 665 V CB 1.822 33.638 31.823 -0.012 0.000 0.985 665 V HN 0.705 nan 8.190 nan 0.000 0.454 666 V N 5.223 125.210 119.914 0.122 0.000 2.823 666 V HA 0.732 4.852 4.120 0.000 0.000 0.312 666 V C -0.907 175.285 176.094 0.163 0.000 1.072 666 V CA -0.498 61.889 62.300 0.145 0.000 0.937 666 V CB 2.152 34.084 31.823 0.182 0.000 1.013 666 V HN 1.210 nan 8.190 nan 0.000 0.430 667 N N 3.688 122.484 118.700 0.160 0.000 2.258 667 N HA 0.598 5.338 4.740 0.000 0.000 0.299 667 N C -1.775 173.801 175.510 0.110 0.000 1.047 667 N CA -0.517 52.602 53.050 0.116 0.000 0.814 667 N CB 1.864 40.365 38.487 0.023 0.000 1.413 667 N HN 0.742 nan 8.380 nan 0.000 0.478 668 F N 2.149 122.025 119.950 -0.122 0.000 2.458 668 F HA 0.600 5.127 4.527 0.000 0.000 0.336 668 F C -0.481 175.169 175.800 -0.250 0.000 1.114 668 F CA -0.532 57.238 58.000 -0.384 0.000 0.987 668 F CB 1.533 40.229 39.000 -0.506 0.000 1.130 668 F HN 0.488 nan 8.300 nan 0.000 0.458 669 E N 3.165 122.751 120.200 -1.022 0.000 2.317 669 E HA 0.706 5.056 4.350 0.000 0.000 0.270 669 E C -1.467 174.617 176.600 -0.860 0.000 0.885 669 E CA -0.453 55.548 56.400 -0.666 0.000 0.760 669 E CB 2.015 31.478 29.700 -0.395 0.000 1.227 669 E HN 0.745 nan 8.360 nan 0.000 0.434 670 S N 1.898 117.341 115.700 -0.428 0.000 2.703 670 S HA 0.269 4.739 4.470 0.000 0.000 0.273 670 S C 0.021 174.559 174.600 -0.104 0.000 1.178 670 S CA -0.140 57.899 58.200 -0.268 0.000 0.838 670 S CB 0.447 63.559 63.200 -0.145 0.000 1.178 670 S HN 0.528 nan 8.310 nan 0.000 0.494 671 D N 0.664 121.035 120.400 -0.049 0.000 2.149 671 D HA -0.040 4.600 4.640 0.000 0.000 0.201 671 D C 0.970 177.281 176.300 0.019 0.000 0.972 671 D CA 1.100 55.091 54.000 -0.015 0.000 0.835 671 D CB -0.206 40.590 40.800 -0.007 0.000 0.966 671 D HN 0.640 nan 8.370 nan 0.000 0.476 672 K N -0.657 119.772 120.400 0.048 0.000 2.402 672 K HA 0.292 4.612 4.320 0.000 0.000 0.204 672 K C 0.145 176.815 176.600 0.116 0.000 1.056 672 K CA -0.263 56.074 56.287 0.085 0.000 1.069 672 K CB 1.806 34.367 32.500 0.101 0.000 0.888 672 K HN 0.086 nan 8.250 nan 0.000 0.546 673 L N 2.273 123.566 121.223 0.116 0.000 2.471 673 L HA 0.366 4.706 4.340 0.000 0.000 0.263 673 L C -1.508 175.447 176.870 0.142 0.000 0.985 673 L CA -0.275 54.656 54.840 0.153 0.000 0.868 673 L CB 1.176 43.355 42.059 0.200 0.000 1.203 673 L HN 0.002 nan 8.230 nan 0.000 0.429 674 K N 2.761 123.220 120.400 0.098 0.000 2.221 674 K HA 0.697 5.017 4.320 0.000 0.000 0.243 674 K C 0.693 177.334 176.600 0.068 0.000 0.968 674 K CA -0.140 56.177 56.287 0.051 0.000 0.846 674 K CB 2.000 34.517 32.500 0.029 0.000 1.141 674 K HN 0.575 nan 8.250 nan 0.000 0.434 675 A N 0.192 123.029 122.820 0.028 0.000 2.748 675 A HA -0.143 4.177 4.320 0.000 0.000 0.297 675 A C 0.205 177.843 177.584 0.089 0.000 1.508 675 A CA 0.824 52.886 52.037 0.042 0.000 0.799 675 A CB -2.209 16.818 19.000 0.044 0.000 1.011 675 A HN 0.507 nan 8.150 nan 0.000 0.500 676 V N -0.033 119.962 119.914 0.136 0.000 2.455 676 V HA 0.572 4.692 4.120 0.000 0.000 0.273 676 V C 0.424 176.605 176.094 0.146 0.000 1.045 676 V CA -0.605 61.780 62.300 0.141 0.000 0.976 676 V CB 0.785 32.685 31.823 0.129 0.000 0.993 676 V HN 0.401 nan 8.190 nan 0.000 0.475 677 K N 4.891 125.370 120.400 0.133 0.000 2.148 677 K HA 0.891 5.211 4.320 0.000 0.000 0.239 677 K C 0.218 176.921 176.600 0.172 0.000 1.018 677 K CA 0.060 56.435 56.287 0.147 0.000 0.923 677 K CB 1.512 34.091 32.500 0.131 0.000 1.117 677 K HN 1.153 nan 8.250 nan 0.000 0.477 678 G N -0.017 108.910 108.800 0.211 0.000 2.519 678 G HA2 0.579 4.539 3.960 0.000 0.000 0.292 678 G HA3 0.579 4.539 3.960 0.000 0.000 0.292 678 G C -1.759 173.321 174.900 0.300 0.000 1.507 678 G CA -0.878 44.347 45.100 0.208 0.000 0.806 678 G HN 0.448 nan 8.290 nan 0.000 0.523 679 F N -0.916 119.080 119.950 0.076 0.000 2.773 679 F HA 0.943 5.470 4.527 0.000 0.000 0.314 679 F C -1.160 174.676 175.800 0.060 0.000 1.160 679 F CA -1.460 56.580 58.000 0.067 0.000 0.920 679 F CB 2.088 41.142 39.000 0.089 0.000 1.323 679 F HN 0.751 nan 8.300 nan 0.000 0.457 680 R N 1.969 122.508 120.500 0.064 0.000 2.522 680 R HA 0.402 4.742 4.340 0.000 0.000 0.273 680 R C -2.212 174.166 176.300 0.130 0.000 1.133 680 R CA -0.530 55.542 56.100 -0.047 0.000 0.969 680 R CB 1.010 31.273 30.300 -0.062 0.000 1.235 680 R HN 0.753 nan 8.270 nan 0.000 0.433 681 N N 2.681 121.465 118.700 0.141 0.000 2.470 681 N HA 0.214 4.954 4.740 0.000 0.000 0.268 681 N C -0.979 174.576 175.510 0.076 0.000 1.136 681 N CA 0.015 53.147 53.050 0.137 0.000 0.961 681 N CB 1.594 40.161 38.487 0.135 0.000 1.067 681 N HN 0.277 nan 8.380 nan 0.000 0.468 682 V N 4.224 124.184 119.914 0.078 0.000 2.448 682 V HA 0.274 4.394 4.120 0.000 0.000 0.295 682 V C 1.414 177.528 176.094 0.033 0.000 1.025 682 V CA -0.655 61.683 62.300 0.062 0.000 0.859 682 V CB 1.873 33.750 31.823 0.090 0.000 0.988 682 V HN 0.509 nan 8.190 nan 0.000 0.431 683 I N 3.335 123.914 120.570 0.015 0.000 2.339 683 I HA 0.139 4.309 4.170 0.000 0.000 0.245 683 I C 1.056 177.170 176.117 -0.004 0.000 1.096 683 I CA 0.986 62.276 61.300 -0.016 0.000 1.408 683 I CB -0.178 37.818 38.000 -0.008 0.000 1.092 683 I HN 0.609 nan 8.210 nan 0.000 0.423 684 I N 1.183 121.776 120.570 0.038 0.000 8.319 684 I HA -0.222 3.948 4.170 0.000 0.000 0.126 684 I C 0.692 176.839 176.117 0.050 0.000 1.836 684 I CA 0.297 61.636 61.300 0.065 0.000 2.073 684 I CB -1.138 36.946 38.000 0.140 0.000 3.775 684 I HN 0.341 nan 8.210 nan 0.000 0.180 685 G N 7.141 115.965 108.800 0.040 0.000 2.702 685 G HA2 0.743 4.703 3.960 0.000 0.000 0.254 685 G HA3 0.743 4.703 3.960 0.000 0.000 0.254 685 G C -2.518 172.404 174.900 0.036 0.000 1.380 685 G CA -0.800 44.320 45.100 0.033 0.000 1.042 685 G HN 0.428 nan 8.290 nan 0.000 0.557 686 P HA 0.220 nan 4.420 nan 0.000 0.266 686 P C 0.280 177.592 177.300 0.020 0.000 1.195 686 P CA 0.166 63.280 63.100 0.023 0.000 0.768 686 P CB 0.745 32.456 31.700 0.017 0.000 0.838 687 A N 0.000 122.830 122.820 0.017 0.000 2.254 687 A HA 0.000 4.320 4.320 0.000 0.000 0.244 687 A CA 0.000 52.045 52.037 0.013 0.000 0.836 687 A CB 0.000 19.005 19.000 0.008 0.000 0.831 687 A HN 0.000 nan 8.150 nan 0.000 0.486