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 1ex0_1_B DATA FIRST_RESID 5 DATA SEQUENCE RTAFGGRRAV PPNNSNAAED DLPTVELQGV NLXXXXXQEF LNVTSVHLFK DATA SEQUENCE ERWDTNKVDH HTDKYENNKL IVRRGQSFYV QIDFSRPYDP RRDLFRVEYV DATA SEQUENCE IGRYPQENKG TYIPVPIVSE LQSGKWGAKI VMREDRSVRL SIQSSPKCIV DATA SEQUENCE GKFRMYVAVW TPYGVLRTSR NPETDTYILF NPWCEDDAVY LDNEKEREEY DATA SEQUENCE VLNDIGVIFY GEVNDIKTRS WSYGQFEDGI LDTCLYVMDR AQMDLSGRGN DATA SEQUENCE PIKVSRVGSA MVNAKDDEGV LVGSFDNIYA YGVPPSAWTG SVDILLEYRS DATA SEQUENCE SENPVRYGQC WVFAGVFNTF LRCLGIPARI VTNYFSAHDN DANLQMDIFL DATA SEQUENCE EEDGNVNSKL TKDSVWNYHC WNEAWMTRPD LPVGFGGWQA VDSTPQENSD DATA SEQUENCE GMYRCGPASV QAIKHGHVCF QFDAPFVFAE VNSDLIYITA KKDGTHVVEN DATA SEQUENCE VDATHIGKLI VTKQIGGDGM MDITDTYKFQ EGQEEERLAL ETALMYGAKK DATA SEQUENCE PLNTSRSXXX XXNVDMDFEV ENAVLGKDFK LSITFRNNSH NRYTITAYLS DATA SEQUENCE ANITFYTGVP KAEFKKETFD VTLEPLSFKK EAVLIQAGEY MGQLLEQASL DATA SEQUENCE HFFVTARINE TRDVLAKQKS TVLTIPEIII KVRGTQVVGS DMTVTVQFTN DATA SEQUENCE PLKETLRNVW VHLDGPGVTR PMKKMFREIR PNSTVQWEEV CRPWVSGHRK DATA SEQUENCE LIASMSSDSL RHVYGELDVQ IQRRPS 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.301 176.300 0.002 0.000 0.893 5 R CA 0.000 56.102 56.100 0.003 0.000 0.921 5 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 6 T N 0.208 114.776 114.554 0.024 0.000 3.797 6 T HA 0.298 4.648 4.350 -0.001 0.000 0.246 6 T C 0.265 175.009 174.700 0.074 0.000 0.833 6 T CA 0.474 62.599 62.100 0.043 0.000 1.120 6 T CB -0.399 68.499 68.868 0.049 0.000 0.984 6 T HN 1.542 nan 8.240 nan 0.000 0.381 7 A N 1.421 124.298 122.820 0.095 0.000 3.040 7 A HA 0.191 4.511 4.320 -0.001 0.000 0.279 7 A C -0.290 177.383 177.584 0.147 0.000 1.380 7 A CA 0.213 52.305 52.037 0.092 0.000 0.734 7 A CB -2.399 16.636 19.000 0.057 0.000 1.061 7 A HN 1.150 nan 8.150 nan 0.000 0.446 8 F N 0.450 120.396 119.950 -0.007 0.000 2.523 8 F HA 0.677 5.204 4.527 -0.001 0.000 0.329 8 F C 0.792 176.583 175.800 -0.013 0.000 1.061 8 F CA -0.261 57.733 58.000 -0.009 0.000 0.967 8 F CB 1.667 40.662 39.000 -0.009 0.000 1.218 8 F HN 0.627 nan 8.300 nan 0.000 0.480 9 G N 1.854 110.136 108.800 -0.863 0.000 3.058 9 G HA2 0.400 4.359 3.960 -0.001 0.000 0.316 9 G HA3 0.400 4.359 3.960 -0.001 0.000 0.316 9 G C 0.536 174.963 174.900 -0.788 0.000 0.951 9 G CA -0.054 44.663 45.100 -0.639 0.000 1.535 9 G HN 1.076 nan 8.290 nan 0.000 0.500 10 G N 1.471 110.056 108.800 -0.357 0.000 2.939 10 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.210 10 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.210 10 G C 1.597 176.469 174.900 -0.047 0.000 1.160 10 G CA -0.106 44.950 45.100 -0.074 0.000 0.770 10 G HN 0.541 nan 8.290 nan 0.000 0.543 11 R N 1.210 121.652 120.500 -0.096 0.000 2.090 11 R HA 0.087 4.426 4.340 -0.001 0.000 0.228 11 R C 1.049 177.306 176.300 -0.072 0.000 1.110 11 R CA 0.800 56.862 56.100 -0.063 0.000 0.973 11 R CB -0.086 30.174 30.300 -0.067 0.000 0.869 11 R HN 0.475 nan 8.270 nan 0.000 0.440 12 R N -3.807 116.622 120.500 -0.119 0.000 2.687 12 R HA 0.476 4.816 4.340 -0.001 0.000 0.265 12 R C -0.218 175.986 176.300 -0.161 0.000 1.048 12 R CA -0.151 55.883 56.100 -0.110 0.000 0.884 12 R CB 0.485 30.725 30.300 -0.100 0.000 1.258 12 R HN -0.095 nan 8.270 nan 0.000 0.469 13 A N 1.336 124.083 122.820 -0.123 0.000 1.968 13 A HA 0.187 4.507 4.320 -0.001 0.000 0.217 13 A C 0.497 177.980 177.584 -0.168 0.000 1.169 13 A CA 1.130 53.087 52.037 -0.133 0.000 0.638 13 A CB 0.221 19.184 19.000 -0.062 0.000 0.812 13 A HN 0.255 nan 8.150 nan 0.000 0.446 14 V N 1.350 121.156 119.914 -0.180 0.000 2.487 14 V HA 0.342 4.462 4.120 -0.001 0.000 0.298 14 V C -2.600 173.261 176.094 -0.389 0.000 1.028 14 V CA -1.948 60.187 62.300 -0.275 0.000 0.860 14 V CB 1.567 33.285 31.823 -0.176 0.000 0.991 14 V HN 0.164 nan 8.190 nan 0.000 0.427 15 P HA 0.165 nan 4.420 nan 0.000 0.266 15 P C -2.637 174.401 177.300 -0.437 0.000 1.193 15 P CA -0.910 61.862 63.100 -0.546 0.000 0.770 15 P CB -0.332 30.959 31.700 -0.680 0.000 0.836 16 P HA -0.025 nan 4.420 nan 0.000 0.264 16 P C -0.125 177.198 177.300 0.040 0.000 1.183 16 P CA 0.415 63.476 63.100 -0.065 0.000 0.763 16 P CB 0.090 31.772 31.700 -0.030 0.000 0.807 17 N N 3.215 121.973 118.700 0.097 0.000 2.868 17 N HA 0.044 4.784 4.740 -0.001 0.000 0.252 17 N C -0.037 175.534 175.510 0.102 0.000 1.130 17 N CA -0.240 52.923 53.050 0.188 0.000 1.026 17 N CB -0.848 37.737 38.487 0.164 0.000 1.335 17 N HN 0.267 nan 8.380 nan 0.000 0.516 18 N N -0.162 118.593 118.700 0.092 0.000 2.241 18 N HA 0.099 4.838 4.740 -0.001 0.000 0.238 18 N C -0.927 174.606 175.510 0.038 0.000 1.244 18 N CA -0.462 52.619 53.050 0.052 0.000 0.880 18 N CB 0.351 38.861 38.487 0.039 0.000 1.179 18 N HN 0.082 nan 8.380 nan 0.000 0.513 19 S N -0.480 115.241 115.700 0.035 0.000 2.614 19 S HA 0.348 4.818 4.470 -0.001 0.000 0.288 19 S C 0.027 174.621 174.600 -0.010 0.000 1.137 19 S CA -0.760 57.450 58.200 0.016 0.000 0.992 19 S CB 0.921 64.133 63.200 0.019 0.000 1.026 19 S HN 0.292 nan 8.310 nan 0.000 0.486 20 N N 3.543 122.234 118.700 -0.015 0.000 2.300 20 N HA 0.014 4.753 4.740 -0.001 0.000 0.179 20 N C 1.712 177.191 175.510 -0.051 0.000 1.016 20 N CA 0.967 53.980 53.050 -0.061 0.000 0.876 20 N CB -0.130 38.325 38.487 -0.053 0.000 0.979 20 N HN 0.686 nan 8.380 nan 0.000 0.432 21 A N 0.594 123.410 122.820 -0.006 0.000 2.014 21 A HA 0.302 4.622 4.320 -0.001 0.000 0.218 21 A C 1.065 178.636 177.584 -0.021 0.000 1.163 21 A CA 0.590 52.627 52.037 -0.000 0.000 0.652 21 A CB -0.428 18.601 19.000 0.048 0.000 0.808 21 A HN 0.387 nan 8.150 nan 0.000 0.449 22 A N 0.143 122.945 122.820 -0.030 0.000 2.386 22 A HA 0.517 4.837 4.320 -0.001 0.000 0.248 22 A C -0.052 177.480 177.584 -0.087 0.000 1.082 22 A CA -0.099 51.903 52.037 -0.058 0.000 0.789 22 A CB 0.110 19.069 19.000 -0.068 0.000 1.025 22 A HN 0.547 nan 8.150 nan 0.000 0.490 23 E N 0.434 120.573 120.200 -0.103 0.000 2.356 23 E HA 0.371 4.720 4.350 -0.001 0.000 0.275 23 E C -1.566 174.956 176.600 -0.130 0.000 0.904 23 E CA -0.946 55.398 56.400 -0.094 0.000 0.757 23 E CB 1.758 31.432 29.700 -0.043 0.000 1.232 23 E HN 0.787 nan 8.360 nan 0.000 0.442 24 D N 0.580 120.904 120.400 -0.126 0.000 2.388 24 D HA 0.206 4.846 4.640 -0.001 0.000 0.254 24 D C -0.752 175.499 176.300 -0.082 0.000 1.111 24 D CA -0.505 53.412 54.000 -0.139 0.000 0.993 24 D CB 0.688 41.399 40.800 -0.148 0.000 1.118 24 D HN 0.198 nan 8.370 nan 0.000 0.502 25 D N -0.213 120.136 120.400 -0.085 0.000 2.317 25 D HA 0.299 4.939 4.640 -0.001 0.000 0.234 25 D C -0.384 175.848 176.300 -0.115 0.000 1.112 25 D CA -0.352 53.606 54.000 -0.070 0.000 0.840 25 D CB 1.124 41.890 40.800 -0.057 0.000 1.078 25 D HN 0.170 nan 8.370 nan 0.000 0.486 26 L N 4.253 125.377 121.223 -0.165 0.000 2.305 26 L HA 0.349 4.689 4.340 -0.001 0.000 0.281 26 L C -1.909 174.840 176.870 -0.203 0.000 1.085 26 L CA -1.875 52.802 54.840 -0.272 0.000 0.813 26 L CB 0.641 42.361 42.059 -0.566 0.000 1.157 26 L HN 0.156 nan 8.230 nan 0.000 0.436 27 P HA 0.012 nan 4.420 nan 0.000 0.265 27 P C 0.736 177.951 177.300 -0.143 0.000 1.193 27 P CA -0.103 62.913 63.100 -0.140 0.000 0.765 27 P CB 0.677 32.293 31.700 -0.141 0.000 0.823 28 T N -0.964 113.535 114.554 -0.092 0.000 3.055 28 T HA 0.077 4.426 4.350 -0.001 0.000 0.265 28 T C 0.525 175.175 174.700 -0.083 0.000 1.111 28 T CA 0.410 62.468 62.100 -0.069 0.000 1.118 28 T CB -0.102 68.748 68.868 -0.030 0.000 0.909 28 T HN 0.156 nan 8.240 nan 0.000 0.501 29 V N 2.413 122.270 119.914 -0.095 0.000 2.612 29 V HA 0.447 4.566 4.120 -0.001 0.000 0.301 29 V C -1.218 174.805 176.094 -0.119 0.000 1.059 29 V CA -1.087 61.151 62.300 -0.103 0.000 0.886 29 V CB 1.927 33.706 31.823 -0.073 0.000 1.007 29 V HN 0.578 nan 8.190 nan 0.000 0.426 30 E N 5.993 126.104 120.200 -0.148 0.000 2.460 30 E HA 0.605 4.954 4.350 -0.001 0.000 0.249 30 E C -1.654 174.869 176.600 -0.128 0.000 0.962 30 E CA -0.688 55.630 56.400 -0.137 0.000 0.787 30 E CB 1.900 31.507 29.700 -0.156 0.000 1.341 30 E HN 0.518 nan 8.360 nan 0.000 0.407 31 L N 2.238 123.409 121.223 -0.088 0.000 2.317 31 L HA 0.490 4.830 4.340 -0.001 0.000 0.281 31 L C -0.041 176.807 176.870 -0.037 0.000 1.024 31 L CA -0.834 53.974 54.840 -0.053 0.000 0.810 31 L CB 1.766 43.800 42.059 -0.043 0.000 1.240 31 L HN 0.527 nan 8.230 nan 0.000 0.427 32 Q N 1.279 121.072 119.800 -0.011 0.000 2.394 32 Q HA 0.590 4.929 4.340 -0.001 0.000 0.273 32 Q C 0.116 176.128 176.000 0.021 0.000 1.089 32 Q CA 0.478 56.277 55.803 -0.006 0.000 0.812 32 Q CB 2.559 31.290 28.738 -0.010 0.000 1.353 32 Q HN 0.834 nan 8.270 nan 0.000 0.438 33 G N 1.484 110.290 108.800 0.010 0.000 3.355 33 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.247 33 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.247 33 G C -0.633 174.269 174.900 0.002 0.000 1.818 33 G CA 0.138 45.251 45.100 0.022 0.000 1.309 33 G HN 1.473 nan 8.290 nan 0.000 0.546 34 V N -0.465 119.447 119.914 -0.003 0.000 2.841 34 V HA 0.787 4.907 4.120 -0.001 0.000 0.258 34 V C -0.062 175.926 176.094 -0.176 0.000 0.973 34 V CA 1.074 63.342 62.300 -0.054 0.000 0.921 34 V CB 0.530 32.344 31.823 -0.015 0.000 1.053 34 V HN 2.123 nan 8.190 nan 0.000 0.498 35 N N 3.305 121.845 118.700 -0.266 0.000 2.434 35 N HA 0.829 5.569 4.740 -0.001 0.000 0.273 35 N C 0.549 175.850 175.510 -0.348 0.000 1.210 35 N CA 1.067 53.811 53.050 -0.509 0.000 0.992 35 N CB 0.212 38.480 38.487 -0.366 0.000 1.355 35 N HN 2.712 nan 8.380 nan 0.000 0.495 43 E N 2.892 123.156 120.200 0.106 0.000 2.546 43 E HA 0.247 4.597 4.350 -0.001 0.000 0.227 43 E C -0.475 176.118 176.600 -0.012 0.000 1.009 43 E CA -0.226 56.226 56.400 0.087 0.000 0.813 43 E CB 0.162 29.882 29.700 0.034 0.000 1.269 43 E HN 0.328 nan 8.360 nan 0.000 0.432 44 F N 0.573 120.543 119.950 0.035 0.000 2.426 44 F HA 0.054 4.581 4.527 -0.001 0.000 0.309 44 F C 1.180 176.991 175.800 0.019 0.000 1.246 44 F CA -0.643 57.376 58.000 0.030 0.000 1.229 44 F CB 0.262 39.293 39.000 0.051 0.000 1.255 44 F HN 0.190 nan 8.300 nan 0.000 0.558 45 L N 1.836 123.171 121.223 0.188 0.000 2.578 45 L HA -0.046 4.294 4.340 -0.001 0.000 0.279 45 L C -0.163 176.807 176.870 0.167 0.000 1.227 45 L CA 0.443 55.320 54.840 0.061 0.000 0.900 45 L CB -0.794 41.176 42.059 -0.147 0.000 1.144 45 L HN 0.566 nan 8.230 nan 0.000 0.496 46 N N 2.325 121.139 118.700 0.189 0.000 2.342 46 N HA 0.415 5.155 4.740 -0.001 0.000 0.293 46 N C -1.249 174.420 175.510 0.266 0.000 1.026 46 N CA -0.617 52.551 53.050 0.197 0.000 0.857 46 N CB 1.502 40.066 38.487 0.128 0.000 1.256 46 N HN 0.275 nan 8.380 nan 0.000 0.484 47 V N 2.933 122.945 119.914 0.163 0.000 2.508 47 V HA 0.118 4.238 4.120 -0.001 0.000 0.281 47 V C 1.456 177.527 176.094 -0.039 0.000 1.041 47 V CA 0.249 62.539 62.300 -0.016 0.000 1.016 47 V CB 0.728 32.488 31.823 -0.105 0.000 0.984 47 V HN 0.997 nan 8.190 nan 0.000 0.478 48 T N 0.406 114.917 114.554 -0.071 0.000 3.033 48 T HA 0.184 4.533 4.350 -0.001 0.000 0.248 48 T C 0.631 175.275 174.700 -0.092 0.000 1.040 48 T CA 0.547 62.618 62.100 -0.048 0.000 1.133 48 T CB 0.291 69.157 68.868 -0.004 0.000 0.895 48 T HN 0.783 nan 8.240 nan 0.000 0.465 49 S N -0.590 115.013 115.700 -0.163 0.000 2.615 49 S HA 0.692 5.161 4.470 -0.001 0.000 0.269 49 S C -1.671 172.681 174.600 -0.414 0.000 1.161 49 S CA -0.899 57.148 58.200 -0.255 0.000 0.817 49 S CB 1.950 65.025 63.200 -0.210 0.000 1.131 49 S HN 0.216 nan 8.310 nan 0.000 0.467 50 V N 2.205 121.775 119.914 -0.572 0.000 2.638 50 V HA 0.570 4.689 4.120 -0.001 0.000 0.306 50 V C -1.269 174.337 176.094 -0.813 0.000 1.052 50 V CA -0.510 61.470 62.300 -0.533 0.000 0.885 50 V CB 1.764 33.399 31.823 -0.313 0.000 0.999 50 V HN 0.972 nan 8.190 nan 0.000 0.424 51 H N 5.539 124.462 119.070 -0.244 0.000 2.547 51 H HA 0.475 5.030 4.556 -0.001 0.000 0.342 51 H C -0.007 175.056 175.328 -0.442 0.000 1.048 51 H CA -0.527 55.279 56.048 -0.404 0.000 1.204 51 H CB 2.481 31.865 29.762 -0.630 0.000 1.493 51 H HN 0.474 nan 8.280 nan 0.000 0.511 52 L N 2.534 123.619 121.223 -0.231 0.000 2.693 52 L HA 0.109 4.449 4.340 -0.001 0.000 0.235 52 L C -0.172 176.745 176.870 0.078 0.000 1.127 52 L CA -0.080 54.743 54.840 -0.028 0.000 0.914 52 L CB 0.020 42.079 42.059 0.001 0.000 1.193 52 L HN 0.496 nan 8.230 nan 0.000 0.502 53 F N 1.416 121.403 119.950 0.063 0.000 2.866 53 F HA -0.281 4.246 4.527 -0.001 0.000 0.254 53 F C 1.264 177.003 175.800 -0.101 0.000 1.009 53 F CA 1.007 59.002 58.000 -0.007 0.000 0.907 53 F CB -1.528 37.504 39.000 0.053 0.000 0.859 53 F HN 0.309 nan 8.300 nan 0.000 0.842 54 K N -0.933 119.443 120.400 -0.041 0.000 2.399 54 K HA 0.210 4.529 4.320 -0.001 0.000 0.204 54 K C 0.248 176.726 176.600 -0.203 0.000 1.023 54 K CA -0.323 55.904 56.287 -0.100 0.000 1.127 54 K CB 0.628 33.082 32.500 -0.076 0.000 0.856 54 K HN 0.150 nan 8.250 nan 0.000 0.514 55 E N 1.886 121.865 120.200 -0.368 0.000 2.398 55 E HA 0.053 4.403 4.350 -0.001 0.000 0.263 55 E C 0.402 176.618 176.600 -0.640 0.000 1.046 55 E CA 0.058 56.113 56.400 -0.575 0.000 0.908 55 E CB 0.952 30.045 29.700 -1.013 0.000 0.963 55 E HN 0.237 nan 8.360 nan 0.000 0.431 56 R N 1.743 121.996 120.500 -0.412 0.000 2.189 56 R HA -0.075 4.265 4.340 -0.001 0.000 0.223 56 R C 1.873 178.071 176.300 -0.170 0.000 1.092 56 R CA 1.199 57.173 56.100 -0.211 0.000 0.989 56 R CB 0.007 30.279 30.300 -0.046 0.000 0.876 56 R HN 0.675 nan 8.270 nan 0.000 0.457 57 W N 0.162 121.476 121.300 0.024 0.000 3.139 57 W HA 0.205 4.865 4.660 -0.001 0.000 0.260 57 W C 0.059 176.588 176.519 0.018 0.000 1.312 57 W CA -0.617 56.737 57.345 0.015 0.000 1.606 57 W CB -0.322 29.148 29.460 0.017 0.000 1.118 57 W HN -0.143 nan 8.180 nan 0.000 0.675 58 D N 1.412 121.604 120.400 -0.347 0.000 2.451 58 D HA 0.038 4.678 4.640 -0.001 0.000 0.259 58 D C 1.750 178.024 176.300 -0.044 0.000 1.201 58 D CA 1.094 54.989 54.000 -0.174 0.000 1.028 58 D CB 1.856 42.314 40.800 -0.570 0.000 1.095 58 D HN -0.122 nan 8.370 nan 0.000 0.539 59 T N -1.308 113.260 114.554 0.023 0.000 2.985 59 T HA -0.074 4.276 4.350 -0.001 0.000 0.266 59 T C 1.383 176.114 174.700 0.053 0.000 1.076 59 T CA 0.614 62.742 62.100 0.046 0.000 1.135 59 T CB -0.072 68.848 68.868 0.086 0.000 0.890 59 T HN 0.189 nan 8.240 nan 0.000 0.480 60 N N 1.989 120.730 118.700 0.068 0.000 2.013 60 N HA -0.039 4.701 4.740 -0.001 0.000 0.195 60 N C 1.884 177.393 175.510 -0.003 0.000 1.051 60 N CA 1.472 54.560 53.050 0.063 0.000 0.851 60 N CB -0.279 38.222 38.487 0.024 0.000 1.044 60 N HN 0.512 nan 8.380 nan 0.000 0.422 61 K N 0.374 120.730 120.400 -0.074 0.000 2.097 61 K HA 0.009 4.328 4.320 -0.001 0.000 0.205 61 K C 2.013 178.555 176.600 -0.097 0.000 1.050 61 K CA 0.561 56.799 56.287 -0.081 0.000 0.938 61 K CB -0.091 32.349 32.500 -0.101 0.000 0.718 61 K HN -0.031 nan 8.250 nan 0.000 0.442 62 V N 1.927 121.778 119.914 -0.106 0.000 2.343 62 V HA -0.230 3.890 4.120 -0.001 0.000 0.247 62 V C 1.413 177.310 176.094 -0.329 0.000 1.051 62 V CA 1.904 64.107 62.300 -0.161 0.000 1.036 62 V CB -0.338 31.436 31.823 -0.082 0.000 0.654 62 V HN 0.261 nan 8.190 nan 0.000 0.451 63 D N -1.608 118.641 120.400 -0.251 0.000 2.234 63 D HA -0.066 4.574 4.640 -0.001 0.000 0.205 63 D C 1.946 177.856 176.300 -0.650 0.000 0.962 63 D CA 0.868 54.630 54.000 -0.396 0.000 0.855 63 D CB -0.223 40.482 40.800 -0.159 0.000 0.951 63 D HN 0.501 nan 8.370 nan 0.000 0.500 64 H N 0.130 118.937 119.070 -0.439 0.000 2.539 64 H HA 0.034 4.590 4.556 -0.001 0.000 0.267 64 H C -0.028 175.095 175.328 -0.341 0.000 0.982 64 H CA 0.358 56.221 56.048 -0.308 0.000 1.146 64 H CB 0.161 29.827 29.762 -0.159 0.000 1.382 64 H HN 0.334 nan 8.280 nan 0.000 0.577 65 H N 0.140 119.018 119.070 -0.320 0.000 2.692 65 H HA -0.121 4.434 4.556 -0.001 0.000 0.316 65 H C 0.657 175.915 175.328 -0.117 0.000 1.176 65 H CA 1.077 56.897 56.048 -0.381 0.000 1.142 65 H CB -2.224 26.957 29.762 -0.969 0.000 1.475 65 H HN 0.480 nan 8.280 nan 0.000 0.423 66 T N -3.428 111.150 114.554 0.040 0.000 3.111 66 T HA 0.009 4.358 4.350 -0.001 0.000 0.284 66 T C 1.251 176.038 174.700 0.146 0.000 0.983 66 T CA 0.178 62.409 62.100 0.218 0.000 0.900 66 T CB 0.452 69.412 68.868 0.154 0.000 1.132 66 T HN 0.365 nan 8.240 nan 0.000 0.531 67 D N 2.216 122.606 120.400 -0.018 0.000 2.312 67 D HA -0.083 4.557 4.640 -0.001 0.000 0.211 67 D C 1.476 177.723 176.300 -0.088 0.000 0.964 67 D CA 0.489 54.462 54.000 -0.045 0.000 0.877 67 D CB -0.052 40.708 40.800 -0.065 0.000 0.924 67 D HN 0.377 nan 8.370 nan 0.000 0.515 68 K N -0.541 119.693 120.400 -0.276 0.000 2.365 68 K HA -0.034 4.286 4.320 -0.001 0.000 0.199 68 K C 0.077 176.530 176.600 -0.244 0.000 1.045 68 K CA 0.099 56.109 56.287 -0.462 0.000 0.962 68 K CB -0.160 31.655 32.500 -1.143 0.000 0.759 68 K HN 0.170 nan 8.250 nan 0.000 0.469 69 Y N 2.416 122.699 120.300 -0.027 0.000 2.620 69 Y HA -0.058 4.492 4.550 -0.001 0.000 0.330 69 Y C 0.692 176.635 175.900 0.070 0.000 1.186 69 Y CA -0.012 58.170 58.100 0.136 0.000 1.467 69 Y CB 0.379 38.884 38.460 0.075 0.000 1.262 69 Y HN -0.074 nan 8.280 nan 0.000 0.550 70 E N 4.100 124.442 120.200 0.237 0.000 1.972 70 E HA 0.037 4.386 4.350 -0.001 0.000 0.292 70 E C -0.617 176.038 176.600 0.093 0.000 1.193 70 E CA -0.001 56.481 56.400 0.136 0.000 1.228 70 E CB -0.430 29.333 29.700 0.104 0.000 1.167 70 E HN 0.470 nan 8.360 nan 0.000 0.479 71 N N 1.522 120.269 118.700 0.078 0.000 2.600 71 N HA -0.007 4.733 4.740 -0.001 0.000 0.272 71 N C -0.055 175.469 175.510 0.023 0.000 1.095 71 N CA -0.210 52.862 53.050 0.035 0.000 0.993 71 N CB 0.841 39.313 38.487 -0.025 0.000 1.603 71 N HN 0.292 nan 8.380 nan 0.000 0.526 72 N N 1.256 119.971 118.700 0.025 0.000 2.398 72 N HA 0.004 4.743 4.740 -0.001 0.000 0.188 72 N C -0.231 175.289 175.510 0.017 0.000 1.122 72 N CA -0.112 52.946 53.050 0.014 0.000 0.866 72 N CB 0.460 38.955 38.487 0.013 0.000 0.970 72 N HN 0.167 nan 8.380 nan 0.000 0.462 73 K N 0.973 121.406 120.400 0.055 0.000 2.090 73 K HA 0.181 4.500 4.320 -0.001 0.000 0.250 73 K C -0.181 176.443 176.600 0.040 0.000 1.004 73 K CA -0.920 55.416 56.287 0.081 0.000 0.919 73 K CB 1.487 34.118 32.500 0.219 0.000 1.045 73 K HN 0.034 nan 8.250 nan 0.000 0.471 74 L N 1.920 123.148 121.223 0.009 0.000 2.455 74 L HA 0.174 4.514 4.340 -0.001 0.000 0.272 74 L C -0.529 176.310 176.870 -0.052 0.000 1.174 74 L CA 0.723 55.520 54.840 -0.070 0.000 0.869 74 L CB -0.115 41.867 42.059 -0.128 0.000 1.130 74 L HN 0.404 nan 8.230 nan 0.000 0.474 75 I N 6.481 126.964 120.570 -0.146 0.000 2.468 75 I HA 0.430 4.599 4.170 -0.001 0.000 0.285 75 I C -0.572 175.386 176.117 -0.265 0.000 1.039 75 I CA -0.754 60.442 61.300 -0.173 0.000 1.074 75 I CB 1.757 39.586 38.000 -0.284 0.000 1.228 75 I HN 0.505 nan 8.210 nan 0.000 0.436 76 V N 2.795 122.510 119.914 -0.331 0.000 3.113 76 V HA 0.677 4.797 4.120 -0.001 0.000 0.316 76 V C -0.440 175.629 176.094 -0.042 0.000 1.125 76 V CA -1.018 61.038 62.300 -0.406 0.000 1.026 76 V CB 2.118 33.380 31.823 -0.935 0.000 1.080 76 V HN 0.655 nan 8.190 nan 0.000 0.444 77 R N 1.366 122.052 120.500 0.309 0.000 2.460 77 R HA 0.521 4.860 4.340 -0.001 0.000 0.303 77 R C -0.039 176.340 176.300 0.132 0.000 0.968 77 R CA -0.819 55.412 56.100 0.219 0.000 0.889 77 R CB 1.768 32.233 30.300 0.275 0.000 1.123 77 R HN 0.961 nan 8.270 nan 0.000 0.455 78 R N 0.645 121.154 120.500 0.016 0.000 2.734 78 R HA 0.173 4.513 4.340 -0.001 0.000 0.266 78 R C 0.450 176.709 176.300 -0.068 0.000 1.044 78 R CA 0.664 56.711 56.100 -0.088 0.000 1.128 78 R CB 0.202 30.429 30.300 -0.123 0.000 1.010 78 R HN 0.811 nan 8.270 nan 0.000 0.461 79 G N 0.155 108.849 108.800 -0.177 0.000 2.176 79 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.253 79 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.253 79 G C -0.122 174.709 174.900 -0.115 0.000 0.979 79 G CA 0.556 45.568 45.100 -0.146 0.000 0.641 79 G HN 0.812 nan 8.290 nan 0.000 0.530 80 Q N 0.486 120.245 119.800 -0.068 0.000 2.389 80 Q HA 0.624 4.963 4.340 -0.001 0.000 0.277 80 Q C 0.283 176.324 176.000 0.069 0.000 1.082 80 Q CA -0.067 55.709 55.803 -0.045 0.000 0.810 80 Q CB 1.709 30.343 28.738 -0.172 0.000 1.374 80 Q HN 0.707 nan 8.270 nan 0.000 0.422 81 S N 2.328 118.016 115.700 -0.021 0.000 2.580 81 S HA 0.666 5.135 4.470 -0.001 0.000 0.274 81 S C -0.419 174.228 174.600 0.078 0.000 1.329 81 S CA -0.479 57.667 58.200 -0.090 0.000 1.036 81 S CB 0.277 63.342 63.200 -0.224 0.000 0.919 81 S HN 0.468 nan 8.310 nan 0.000 0.515 82 F N -1.121 118.711 119.950 -0.198 0.000 2.613 82 F HA 0.753 5.279 4.527 -0.001 0.000 0.314 82 F C -1.665 173.946 175.800 -0.316 0.000 1.075 82 F CA -1.870 55.969 58.000 -0.269 0.000 0.945 82 F CB 0.535 39.373 39.000 -0.269 0.000 1.310 82 F HN 0.470 nan 8.300 nan 0.000 0.467 83 Y N 1.590 121.998 120.300 0.180 0.000 2.334 83 Y HA 0.656 5.206 4.550 -0.001 0.000 0.328 83 Y C 0.244 176.370 175.900 0.377 0.000 1.130 83 Y CA -1.022 57.159 58.100 0.135 0.000 1.163 83 Y CB 1.754 40.224 38.460 0.017 0.000 1.207 83 Y HN 0.705 nan 8.280 nan 0.000 0.471 84 V N 0.375 120.577 119.914 0.481 0.000 3.130 84 V HA 0.673 4.793 4.120 -0.001 0.000 0.310 84 V C -1.270 175.086 176.094 0.436 0.000 1.158 84 V CA -1.096 61.484 62.300 0.467 0.000 1.029 84 V CB 2.019 34.013 31.823 0.285 0.000 1.057 84 V HN 0.774 nan 8.190 nan 0.000 0.436 85 Q N 1.406 121.373 119.800 0.278 0.000 2.337 85 Q HA 0.741 5.081 4.340 -0.001 0.000 0.270 85 Q C -1.848 174.170 176.000 0.029 0.000 1.043 85 Q CA -0.776 55.162 55.803 0.224 0.000 0.794 85 Q CB 2.290 31.206 28.738 0.297 0.000 1.281 85 Q HN 0.877 nan 8.270 nan 0.000 0.446 86 I N 3.338 123.870 120.570 -0.063 0.000 2.389 86 I HA 0.302 4.471 4.170 -0.001 0.000 0.288 86 I C -1.074 174.797 176.117 -0.409 0.000 0.999 86 I CA -0.886 60.212 61.300 -0.337 0.000 1.129 86 I CB 1.820 39.488 38.000 -0.554 0.000 1.288 86 I HN 0.557 nan 8.210 nan 0.000 0.444 87 D N 7.105 127.302 120.400 -0.339 0.000 2.373 87 D HA 0.398 5.038 4.640 -0.001 0.000 0.227 87 D C -0.465 175.683 176.300 -0.254 0.000 1.091 87 D CA 0.054 53.949 54.000 -0.175 0.000 0.840 87 D CB 0.950 41.745 40.800 -0.008 0.000 1.060 87 D HN 0.068 nan 8.370 nan 0.000 0.502 88 F N 0.162 120.099 119.950 -0.021 0.000 2.410 88 F HA 0.182 4.709 4.527 -0.001 0.000 0.324 88 F C 2.104 177.905 175.800 0.003 0.000 1.093 88 F CA -0.813 57.170 58.000 -0.028 0.000 1.028 88 F CB 0.833 39.808 39.000 -0.040 0.000 1.309 88 F HN 0.179 nan 8.300 nan 0.000 0.499 89 S N -0.354 115.485 115.700 0.232 0.000 2.461 89 S HA 0.043 4.513 4.470 -0.001 0.000 0.228 89 S C 0.519 175.181 174.600 0.103 0.000 1.005 89 S CA 0.201 58.476 58.200 0.126 0.000 0.942 89 S CB -0.392 62.867 63.200 0.098 0.000 0.776 89 S HN 0.711 nan 8.310 nan 0.000 0.514 90 R N -0.009 120.558 120.500 0.111 0.000 2.947 90 R HA 0.693 5.033 4.340 -0.001 0.000 0.253 90 R C -3.598 172.757 176.300 0.092 0.000 1.208 90 R CA -2.291 53.853 56.100 0.073 0.000 1.012 90 R CB -0.239 30.076 30.300 0.025 0.000 1.267 90 R HN -0.099 nan 8.270 nan 0.000 0.473 91 P HA 0.050 nan 4.420 nan 0.000 0.281 91 P C -1.287 176.031 177.300 0.030 0.000 1.252 91 P CA -0.246 62.903 63.100 0.081 0.000 0.778 91 P CB 0.110 31.847 31.700 0.063 0.000 0.895 92 Y N 3.104 123.370 120.300 -0.057 0.000 2.904 92 Y HA 0.026 4.576 4.550 -0.001 0.000 0.336 92 Y C 0.154 176.029 175.900 -0.042 0.000 1.263 92 Y CA 0.693 58.708 58.100 -0.141 0.000 1.547 92 Y CB 0.042 38.490 38.460 -0.020 0.000 1.272 92 Y HN 0.292 nan 8.280 nan 0.000 0.596 93 D N 8.822 128.770 120.400 -0.753 0.000 2.389 93 D HA 0.253 4.893 4.640 -0.001 0.000 0.256 93 D C -2.129 173.697 176.300 -0.791 0.000 1.239 93 D CA -2.239 51.405 54.000 -0.593 0.000 0.925 93 D CB 1.600 42.225 40.800 -0.292 0.000 1.145 93 D HN 0.345 nan 8.370 nan 0.000 0.542 94 P HA -0.139 nan 4.420 nan 0.000 0.221 94 P C 1.312 178.495 177.300 -0.195 0.000 1.145 94 P CA 0.447 63.283 63.100 -0.440 0.000 0.795 94 P CB 0.525 32.140 31.700 -0.142 0.000 0.775 95 R N 0.512 120.903 120.500 -0.181 0.000 2.091 95 R HA -0.118 4.222 4.340 -0.001 0.000 0.238 95 R C 2.119 178.366 176.300 -0.089 0.000 1.136 95 R CA 1.445 57.481 56.100 -0.107 0.000 0.959 95 R CB -0.445 29.797 30.300 -0.096 0.000 0.856 95 R HN 0.363 nan 8.270 nan 0.000 0.437 96 R N -0.224 120.210 120.500 -0.110 0.000 2.551 96 R HA 0.158 4.498 4.340 -0.001 0.000 0.316 96 R C -0.847 175.448 176.300 -0.008 0.000 0.934 96 R CA -0.140 55.927 56.100 -0.056 0.000 1.117 96 R CB 0.024 30.283 30.300 -0.068 0.000 1.626 96 R HN -0.096 nan 8.270 nan 0.000 0.513 97 D N 2.413 122.795 120.400 -0.029 0.000 2.308 97 D HA 0.213 4.852 4.640 -0.001 0.000 0.251 97 D C -0.526 175.920 176.300 0.242 0.000 1.127 97 D CA -0.056 54.015 54.000 0.120 0.000 0.876 97 D CB 2.140 42.993 40.800 0.089 0.000 1.176 97 D HN 0.095 nan 8.370 nan 0.000 0.446 98 L N 4.232 125.629 121.223 0.290 0.000 2.343 98 L HA 0.489 4.829 4.340 -0.001 0.000 0.278 98 L C -1.299 175.812 176.870 0.402 0.000 0.996 98 L CA -0.733 54.247 54.840 0.234 0.000 0.831 98 L CB 0.409 42.540 42.059 0.119 0.000 1.232 98 L HN 0.321 nan 8.230 nan 0.000 0.413 99 F N 3.796 123.877 119.950 0.218 0.000 2.664 99 F HA 0.878 5.404 4.527 -0.001 0.000 0.317 99 F C -1.218 174.698 175.800 0.193 0.000 1.108 99 F CA -0.972 57.203 58.000 0.292 0.000 0.957 99 F CB 1.467 40.646 39.000 0.299 0.000 1.365 99 F HN 0.494 nan 8.300 nan 0.000 0.475 100 R N 0.537 121.262 120.500 0.374 0.000 2.712 100 R HA 0.704 5.043 4.340 -0.001 0.000 0.272 100 R C -2.229 174.254 176.300 0.305 0.000 1.032 100 R CA -1.201 54.979 56.100 0.132 0.000 0.874 100 R CB 1.441 31.719 30.300 -0.036 0.000 1.256 100 R HN 0.567 nan 8.270 nan 0.000 0.468 101 V N 1.197 121.203 119.914 0.154 0.000 2.775 101 V HA 0.216 4.336 4.120 -0.001 0.000 0.299 101 V C 0.118 176.172 176.094 -0.067 0.000 1.062 101 V CA -0.041 62.286 62.300 0.045 0.000 1.063 101 V CB 1.150 32.978 31.823 0.010 0.000 0.994 101 V HN 0.682 nan 8.190 nan 0.000 0.483 102 E N 2.390 122.494 120.200 -0.161 0.000 2.266 102 E HA 0.568 4.917 4.350 -0.001 0.000 0.268 102 E C -1.873 174.481 176.600 -0.409 0.000 0.879 102 E CA -0.623 55.657 56.400 -0.199 0.000 0.762 102 E CB 2.368 32.102 29.700 0.056 0.000 1.199 102 E HN 0.599 nan 8.360 nan 0.000 0.422 103 Y N 0.516 120.721 120.300 -0.159 0.000 2.391 103 Y HA 0.456 5.005 4.550 -0.001 0.000 0.341 103 Y C -0.390 175.586 175.900 0.126 0.000 0.965 103 Y CA -0.922 57.159 58.100 -0.032 0.000 1.067 103 Y CB 1.973 40.246 38.460 -0.311 0.000 1.199 103 Y HN 0.305 nan 8.280 nan 0.000 0.450 104 V N 2.588 122.788 119.914 0.478 0.000 2.841 104 V HA 0.781 4.901 4.120 -0.001 0.000 0.310 104 V C -1.307 174.928 176.094 0.234 0.000 1.090 104 V CA -0.947 61.574 62.300 0.369 0.000 0.930 104 V CB 2.157 34.195 31.823 0.358 0.000 1.014 104 V HN 0.773 nan 8.190 nan 0.000 0.425 105 I N 3.104 123.717 120.570 0.071 0.000 2.692 105 I HA 0.809 4.978 4.170 -0.001 0.000 0.293 105 I C 0.181 176.247 176.117 -0.085 0.000 1.200 105 I CA 0.756 61.956 61.300 -0.167 0.000 1.036 105 I CB 1.658 39.282 38.000 -0.627 0.000 1.258 105 I HN 1.705 nan 8.210 nan 0.000 0.421 106 G N 5.661 114.400 108.800 -0.101 0.000 2.756 106 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.678 106 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.678 106 G C -0.019 174.813 174.900 -0.113 0.000 1.349 106 G CA 0.162 45.216 45.100 -0.077 0.000 0.847 106 G HN 0.950 nan 8.290 nan 0.000 0.548 107 R N -0.836 119.540 120.500 -0.207 0.000 2.200 107 R HA 0.171 4.510 4.340 -0.001 0.000 0.208 107 R C 0.332 176.230 176.300 -0.670 0.000 1.033 107 R CA 1.056 56.877 56.100 -0.466 0.000 1.000 107 R CB -0.023 29.889 30.300 -0.647 0.000 0.906 107 R HN 0.571 nan 8.270 nan 0.000 0.462 108 Y N 1.391 121.684 120.300 -0.010 0.000 2.553 108 Y HA 0.401 4.951 4.550 -0.000 0.000 0.369 108 Y C -2.287 173.615 175.900 0.004 0.000 0.964 108 Y CA -3.157 54.936 58.100 -0.012 0.000 1.156 108 Y CB 0.646 39.097 38.460 -0.015 0.000 1.218 108 Y HN 0.030 nan 8.280 nan 0.000 0.630 109 P HA 0.129 nan 4.420 nan 0.000 0.271 109 P C -0.634 176.733 177.300 0.112 0.000 1.216 109 P CA 0.039 63.206 63.100 0.113 0.000 0.776 109 P CB 1.331 33.107 31.700 0.126 0.000 0.881 110 Q N 0.576 120.463 119.800 0.144 0.000 2.315 110 Q HA 0.127 4.466 4.340 -0.001 0.000 0.273 110 Q C 0.754 176.867 176.000 0.188 0.000 1.053 110 Q CA -0.538 55.341 55.803 0.128 0.000 0.817 110 Q CB 2.418 31.210 28.738 0.091 0.000 1.326 110 Q HN 0.480 nan 8.270 nan 0.000 0.423 111 E N 1.744 122.085 120.200 0.234 0.000 2.085 111 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 111 E C 1.087 177.769 176.600 0.136 0.000 0.994 111 E CA 1.998 58.543 56.400 0.243 0.000 0.801 111 E CB 0.259 30.140 29.700 0.302 0.000 0.743 111 E HN 0.624 nan 8.360 nan 0.000 0.453 112 N N 0.112 118.878 118.700 0.109 0.000 2.521 112 N HA -0.094 4.646 4.740 -0.001 0.000 0.188 112 N C 0.555 176.115 175.510 0.083 0.000 1.146 112 N CA 0.524 53.625 53.050 0.084 0.000 0.893 112 N CB 0.269 38.796 38.487 0.066 0.000 0.975 112 N HN 0.028 nan 8.380 nan 0.000 0.451 113 K N -0.551 119.906 120.400 0.095 0.000 2.373 113 K HA 0.275 4.594 4.320 -0.001 0.000 0.202 113 K C 0.881 177.548 176.600 0.111 0.000 1.025 113 K CA 0.329 56.672 56.287 0.093 0.000 1.115 113 K CB 0.230 32.783 32.500 0.089 0.000 0.858 113 K HN 0.315 nan 8.250 nan 0.000 0.525 114 G N 1.714 110.584 108.800 0.117 0.000 2.179 114 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.260 114 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.260 114 G C 0.858 175.857 174.900 0.166 0.000 0.977 114 G CA 1.107 46.287 45.100 0.133 0.000 0.641 114 G HN 0.374 nan 8.290 nan 0.000 0.533 115 T N -3.614 111.039 114.554 0.166 0.000 3.023 115 T HA 0.456 4.805 4.350 -0.001 0.000 0.253 115 T C 0.439 175.276 174.700 0.229 0.000 1.038 115 T CA 0.649 62.862 62.100 0.189 0.000 0.962 115 T CB 0.494 69.440 68.868 0.130 0.000 1.018 115 T HN 0.885 nan 8.240 nan 0.000 0.521 116 Y N 1.765 122.112 120.300 0.079 0.000 2.328 116 Y HA 0.672 5.221 4.550 -0.001 0.000 0.336 116 Y C -1.357 174.541 175.900 -0.003 0.000 0.960 116 Y CA -2.458 55.672 58.100 0.050 0.000 1.134 116 Y CB 0.909 39.385 38.460 0.027 0.000 1.166 116 Y HN 0.115 nan 8.280 nan 0.000 0.464 117 I N 9.781 129.925 120.570 -0.710 0.000 2.493 117 I HA 0.321 4.490 4.170 -0.001 0.000 0.279 117 I C -2.638 172.985 176.117 -0.823 0.000 1.045 117 I CA -2.070 58.789 61.300 -0.735 0.000 1.106 117 I CB 1.787 39.296 38.000 -0.819 0.000 1.216 117 I HN 0.460 nan 8.210 nan 0.000 0.459 118 P HA 0.166 nan 4.420 nan 0.000 0.287 118 P C -0.420 176.726 177.300 -0.256 0.000 1.294 118 P CA -0.227 62.637 63.100 -0.393 0.000 0.776 118 P CB 1.439 33.038 31.700 -0.167 0.000 0.889 119 V N 7.018 126.831 119.914 -0.168 0.000 2.334 119 V HA 0.257 4.377 4.120 -0.001 0.000 0.267 119 V C -1.719 174.339 176.094 -0.059 0.000 1.040 119 V CA -1.821 60.453 62.300 -0.043 0.000 0.866 119 V CB 0.948 32.815 31.823 0.074 0.000 1.019 119 V HN 0.534 nan 8.190 nan 0.000 0.468 120 P HA 0.307 nan 4.420 nan 0.000 0.278 120 P C -0.570 176.649 177.300 -0.135 0.000 1.238 120 P CA -0.481 62.536 63.100 -0.139 0.000 0.794 120 P CB 1.286 32.914 31.700 -0.121 0.000 0.955 121 I N 2.582 123.023 120.570 -0.214 0.000 2.471 121 I HA 0.184 4.354 4.170 -0.001 0.000 0.286 121 I C 0.757 176.802 176.117 -0.120 0.000 1.079 121 I CA -0.263 60.914 61.300 -0.204 0.000 1.398 121 I CB 0.507 38.319 38.000 -0.313 0.000 1.403 121 I HN 0.115 nan 8.210 nan 0.000 0.530 122 V N 6.148 126.015 119.914 -0.078 0.000 2.876 122 V HA 0.311 4.430 4.120 -0.001 0.000 0.312 122 V C 1.012 177.088 176.094 -0.031 0.000 1.085 122 V CA -0.031 62.239 62.300 -0.050 0.000 0.945 122 V CB 2.516 34.314 31.823 -0.041 0.000 1.017 122 V HN 0.932 nan 8.190 nan 0.000 0.428 123 S N 3.630 119.317 115.700 -0.020 0.000 2.387 123 S HA 0.112 4.582 4.470 -0.001 0.000 0.226 123 S C 0.466 175.062 174.600 -0.007 0.000 1.026 123 S CA 0.845 59.041 58.200 -0.007 0.000 0.972 123 S CB 0.042 63.240 63.200 -0.004 0.000 0.814 123 S HN 0.717 nan 8.310 nan 0.000 0.477 124 E N -0.225 119.967 120.200 -0.014 0.000 2.308 124 E HA 0.572 4.922 4.350 -0.001 0.000 0.275 124 E C -1.217 175.368 176.600 -0.025 0.000 0.890 124 E CA -0.528 55.862 56.400 -0.016 0.000 0.754 124 E CB 1.651 31.343 29.700 -0.013 0.000 1.207 124 E HN 0.344 nan 8.360 nan 0.000 0.426 125 L N 2.755 123.958 121.223 -0.033 0.000 2.514 125 L HA 0.112 4.451 4.340 -0.001 0.000 0.280 125 L C 0.374 177.219 176.870 -0.042 0.000 1.223 125 L CA 0.457 55.270 54.840 -0.046 0.000 0.864 125 L CB 0.257 42.276 42.059 -0.065 0.000 1.118 125 L HN 0.433 nan 8.230 nan 0.000 0.494 126 Q N 1.308 121.082 119.800 -0.043 0.000 2.309 126 Q HA 0.305 4.644 4.340 -0.001 0.000 0.264 126 Q C -0.559 175.409 176.000 -0.053 0.000 1.008 126 Q CA -0.691 55.088 55.803 -0.039 0.000 0.853 126 Q CB 2.102 30.824 28.738 -0.026 0.000 1.314 126 Q HN 0.581 nan 8.270 nan 0.000 0.448 127 S N 0.985 116.655 115.700 -0.050 0.000 2.575 127 S HA 0.171 4.641 4.470 -0.001 0.000 0.295 127 S C 1.082 175.647 174.600 -0.058 0.000 1.267 127 S CA 1.053 59.218 58.200 -0.058 0.000 1.074 127 S CB 0.016 63.187 63.200 -0.050 0.000 0.829 127 S HN 0.969 nan 8.310 nan 0.000 0.497 128 G N 3.246 111.999 108.800 -0.078 0.000 2.179 128 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.260 128 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.260 128 G C -0.126 174.730 174.900 -0.073 0.000 0.977 128 G CA 0.331 45.387 45.100 -0.074 0.000 0.641 128 G HN 0.603 nan 8.290 nan 0.000 0.533 129 K N -1.082 119.274 120.400 -0.074 0.000 2.318 129 K HA 0.484 4.803 4.320 -0.001 0.000 0.249 129 K C -0.592 175.980 176.600 -0.046 0.000 0.942 129 K CA -1.075 55.198 56.287 -0.023 0.000 0.808 129 K CB 1.466 33.976 32.500 0.017 0.000 1.189 129 K HN 0.102 nan 8.250 nan 0.000 0.428 130 W N 0.834 122.107 121.300 -0.045 0.000 2.210 130 W HA 0.333 4.993 4.660 -0.001 0.000 0.330 130 W C 0.770 177.253 176.519 -0.060 0.000 1.334 130 W CA 0.988 58.302 57.345 -0.053 0.000 1.227 130 W CB 1.097 30.528 29.460 -0.048 0.000 1.178 130 W HN 0.707 nan 8.180 nan 0.000 0.560 131 G N 0.536 109.451 108.800 0.191 0.000 2.547 131 G HA2 0.648 4.607 3.960 -0.001 0.000 0.291 131 G HA3 0.648 4.607 3.960 -0.001 0.000 0.291 131 G C -2.230 172.690 174.900 0.033 0.000 1.471 131 G CA -0.575 44.573 45.100 0.080 0.000 0.798 131 G HN 0.717 nan 8.290 nan 0.000 0.504 132 A N 0.734 123.550 122.820 -0.008 0.000 2.359 132 A HA 0.815 5.134 4.320 -0.001 0.000 0.303 132 A C -0.450 177.106 177.584 -0.047 0.000 1.066 132 A CA -0.667 51.348 52.037 -0.036 0.000 0.730 132 A CB 1.829 20.817 19.000 -0.018 0.000 1.211 132 A HN 0.675 nan 8.150 nan 0.000 0.439 133 K N 3.539 123.916 120.400 -0.038 0.000 2.206 133 K HA 0.544 4.864 4.320 -0.001 0.000 0.264 133 K C -1.026 175.585 176.600 0.017 0.000 0.967 133 K CA -0.539 55.739 56.287 -0.015 0.000 0.844 133 K CB 0.814 33.308 32.500 -0.010 0.000 1.099 133 K HN 0.723 nan 8.250 nan 0.000 0.441 134 I N 5.785 126.367 120.570 0.020 0.000 2.421 134 I HA -0.058 4.112 4.170 -0.001 0.000 0.291 134 I C 1.407 177.563 176.117 0.067 0.000 1.089 134 I CA -0.194 61.137 61.300 0.051 0.000 1.354 134 I CB 0.925 38.952 38.000 0.045 0.000 1.413 134 I HN 0.525 nan 8.210 nan 0.000 0.513 135 V N 3.829 123.793 119.914 0.083 0.000 3.431 135 V HA 0.336 4.456 4.120 -0.001 0.000 0.253 135 V C 0.605 176.730 176.094 0.053 0.000 1.184 135 V CA 0.289 62.632 62.300 0.072 0.000 1.104 135 V CB 0.021 31.904 31.823 0.099 0.000 0.799 135 V HN 0.661 nan 8.190 nan 0.000 0.462 136 M N 1.154 120.792 119.600 0.064 0.000 2.378 136 M HA 0.622 5.101 4.480 -0.001 0.000 0.289 136 M C -1.313 175.045 176.300 0.097 0.000 1.136 136 M CA -0.419 54.917 55.300 0.060 0.000 0.917 136 M CB 3.114 35.731 32.600 0.028 0.000 1.669 136 M HN 0.089 nan 8.290 nan 0.000 0.461 137 R N 2.012 122.574 120.500 0.104 0.000 2.480 137 R HA 0.598 4.938 4.340 -0.001 0.000 0.306 137 R C -1.105 175.260 176.300 0.108 0.000 0.958 137 R CA -0.829 55.352 56.100 0.136 0.000 0.861 137 R CB 2.404 32.811 30.300 0.178 0.000 1.171 137 R HN 0.559 nan 8.270 nan 0.000 0.445 138 E N 2.711 122.978 120.200 0.111 0.000 2.278 138 E HA 0.146 4.496 4.350 -0.001 0.000 0.272 138 E C -0.667 175.988 176.600 0.092 0.000 0.890 138 E CA -0.298 56.153 56.400 0.085 0.000 0.770 138 E CB 1.535 31.276 29.700 0.068 0.000 1.212 138 E HN 0.543 nan 8.360 nan 0.000 0.415 139 D N 1.759 122.205 120.400 0.077 0.000 3.574 139 D HA -0.295 4.344 4.640 -0.001 0.000 0.153 139 D C 0.608 176.971 176.300 0.105 0.000 0.965 139 D CA 1.442 55.487 54.000 0.075 0.000 1.047 139 D CB -0.234 40.603 40.800 0.062 0.000 0.492 139 D HN 0.559 nan 8.370 nan 0.000 0.492 140 R N 0.270 120.837 120.500 0.112 0.000 2.449 140 R HA 0.341 4.680 4.340 -0.001 0.000 0.262 140 R C -0.325 176.097 176.300 0.203 0.000 1.006 140 R CA 0.033 56.227 56.100 0.157 0.000 1.104 140 R CB 0.277 30.655 30.300 0.129 0.000 1.206 140 R HN 0.072 nan 8.270 nan 0.000 0.538 141 S N 0.306 116.113 115.700 0.178 0.000 2.536 141 S HA 0.495 4.965 4.470 -0.001 0.000 0.298 141 S C -0.433 174.284 174.600 0.194 0.000 1.083 141 S CA -0.924 57.371 58.200 0.159 0.000 0.995 141 S CB 2.506 65.773 63.200 0.111 0.000 1.058 141 S HN 0.096 nan 8.310 nan 0.000 0.488 142 V N 0.352 120.374 119.914 0.179 0.000 2.604 142 V HA 0.707 4.826 4.120 -0.001 0.000 0.305 142 V C -0.452 175.732 176.094 0.149 0.000 1.043 142 V CA -1.006 61.399 62.300 0.175 0.000 0.888 142 V CB 1.577 33.516 31.823 0.193 0.000 0.995 142 V HN 0.889 nan 8.190 nan 0.000 0.429 143 R N 3.810 124.399 120.500 0.149 0.000 2.346 143 R HA 0.738 5.078 4.340 -0.001 0.000 0.311 143 R C -1.344 175.056 176.300 0.167 0.000 0.983 143 R CA -0.714 55.490 56.100 0.174 0.000 0.880 143 R CB 1.386 31.757 30.300 0.119 0.000 1.100 143 R HN 0.909 nan 8.270 nan 0.000 0.453 144 L N 2.033 123.375 121.223 0.199 0.000 2.334 144 L HA 0.387 4.727 4.340 -0.001 0.000 0.276 144 L C -0.013 176.948 176.870 0.152 0.000 1.014 144 L CA -0.795 54.131 54.840 0.143 0.000 0.815 144 L CB 2.011 44.135 42.059 0.108 0.000 1.268 144 L HN 0.530 nan 8.230 nan 0.000 0.428 145 S N 3.466 119.204 115.700 0.062 0.000 2.423 145 S HA 0.567 5.037 4.470 -0.001 0.000 0.317 145 S C -0.452 174.000 174.600 -0.246 0.000 1.065 145 S CA -0.534 57.583 58.200 -0.139 0.000 1.111 145 S CB -0.052 63.103 63.200 -0.074 0.000 0.968 145 S HN 0.414 nan 8.310 nan 0.000 0.474 146 I N 4.704 124.987 120.570 -0.479 0.000 2.331 146 I HA 0.352 4.522 4.170 -0.001 0.000 0.292 146 I C 0.346 176.152 176.117 -0.518 0.000 0.998 146 I CA -0.407 60.600 61.300 -0.488 0.000 1.267 146 I CB 1.397 38.995 38.000 -0.669 0.000 1.386 146 I HN 0.522 nan 8.210 nan 0.000 0.476 147 Q N 5.478 125.106 119.800 -0.285 0.000 2.322 147 Q HA 0.398 4.738 4.340 -0.001 0.000 0.265 147 Q C -0.608 175.080 176.000 -0.521 0.000 0.985 147 Q CA -0.650 54.970 55.803 -0.305 0.000 0.849 147 Q CB 1.820 30.427 28.738 -0.218 0.000 1.274 147 Q HN 0.824 nan 8.270 nan 0.000 0.449 148 S N 2.071 117.278 115.700 -0.821 0.000 2.632 148 S HA 0.346 4.816 4.470 -0.001 0.000 0.271 148 S C 0.114 173.992 174.600 -1.203 0.000 1.260 148 S CA -0.770 56.303 58.200 -1.879 0.000 1.010 148 S CB 1.705 64.020 63.200 -1.474 0.000 0.965 148 S HN 0.581 nan 8.310 nan 0.000 0.534 149 S N 1.832 116.702 115.700 -1.385 0.000 2.572 149 S HA 0.247 4.716 4.470 -0.001 0.000 0.279 149 S C -1.424 172.988 174.600 -0.315 0.000 1.341 149 S CA -1.335 56.562 58.200 -0.507 0.000 1.043 149 S CB 0.294 63.387 63.200 -0.179 0.000 0.887 149 S HN 0.692 nan 8.310 nan 0.000 0.516 150 P HA 0.090 nan 4.420 nan 0.000 0.245 150 P C 0.045 177.335 177.300 -0.017 0.000 1.212 150 P CA 0.601 63.650 63.100 -0.084 0.000 0.774 150 P CB 0.007 31.671 31.700 -0.059 0.000 0.999 151 K N -1.108 119.290 120.400 -0.005 0.000 2.387 151 K HA 0.105 4.425 4.320 -0.001 0.000 0.198 151 K C 0.686 177.326 176.600 0.068 0.000 1.022 151 K CA -0.303 56.015 56.287 0.051 0.000 1.128 151 K CB -0.198 32.340 32.500 0.063 0.000 0.853 151 K HN 0.084 nan 8.250 nan 0.000 0.523 152 C N 1.893 121.217 119.300 0.040 0.000 2.634 152 C HA 0.090 4.550 4.460 -0.001 0.000 0.417 152 C C 0.904 175.949 174.990 0.091 0.000 1.334 152 C CA -0.812 58.276 59.018 0.118 0.000 1.829 152 C CB -0.678 27.098 27.740 0.061 0.000 2.665 152 C HN 0.367 nan 8.230 nan 0.000 0.614 153 I N 5.669 126.361 120.570 0.203 0.000 2.845 153 I HA 0.001 4.171 4.170 -0.001 0.000 0.296 153 I C 0.403 176.643 176.117 0.205 0.000 1.216 153 I CA 0.483 61.907 61.300 0.206 0.000 1.438 153 I CB 0.275 38.444 38.000 0.282 0.000 1.342 153 I HN 0.364 nan 8.210 nan 0.000 0.577 154 V N 6.118 126.028 119.914 -0.006 0.000 2.481 154 V HA 0.841 4.960 4.120 -0.001 0.000 0.286 154 V C 0.584 176.709 176.094 0.052 0.000 1.042 154 V CA 0.274 62.535 62.300 -0.064 0.000 0.928 154 V CB 0.937 32.493 31.823 -0.444 0.000 0.986 154 V HN 1.086 nan 8.190 nan 0.000 0.462 155 G N 4.128 113.002 108.800 0.124 0.000 2.343 155 G HA2 0.240 4.199 3.960 -0.001 0.000 0.289 155 G HA3 0.240 4.199 3.960 -0.001 0.000 0.289 155 G C -1.484 173.425 174.900 0.015 0.000 1.295 155 G CA -0.842 44.262 45.100 0.007 0.000 0.869 155 G HN 0.654 nan 8.290 nan 0.000 0.522 156 K N 0.166 120.451 120.400 -0.193 0.000 2.263 156 K HA 0.664 4.984 4.320 -0.001 0.000 0.272 156 K C -1.150 175.279 176.600 -0.284 0.000 1.033 156 K CA -0.559 55.518 56.287 -0.351 0.000 0.884 156 K CB 0.451 32.590 32.500 -0.602 0.000 1.107 156 K HN 0.224 nan 8.250 nan 0.000 0.460 157 F N 2.471 122.331 119.950 -0.151 0.000 2.425 157 F HA 0.456 4.983 4.527 -0.000 0.000 0.331 157 F C 0.665 176.462 175.800 -0.004 0.000 1.085 157 F CA -0.735 57.261 58.000 -0.007 0.000 1.028 157 F CB 1.398 40.468 39.000 0.117 0.000 1.177 157 F HN 0.322 nan 8.300 nan 0.000 0.487 158 R N 2.244 122.856 120.500 0.187 0.000 2.410 158 R HA 0.482 4.822 4.340 -0.001 0.000 0.288 158 R C -0.410 175.875 176.300 -0.025 0.000 1.051 158 R CA -0.542 55.570 56.100 0.020 0.000 1.021 158 R CB 1.218 31.522 30.300 0.006 0.000 1.032 158 R HN 0.651 nan 8.270 nan 0.000 0.481 159 M N 3.326 122.756 119.600 -0.283 0.000 2.336 159 M HA 0.368 4.848 4.480 -0.001 0.000 0.342 159 M C -1.629 174.297 176.300 -0.623 0.000 1.128 159 M CA -0.455 54.599 55.300 -0.409 0.000 1.016 159 M CB 0.928 33.373 32.600 -0.259 0.000 1.665 159 M HN 0.526 nan 8.290 nan 0.000 0.445 160 Y N 2.214 122.391 120.300 -0.204 0.000 2.605 160 Y HA 0.655 5.205 4.550 -0.001 0.000 0.343 160 Y C -0.615 175.236 175.900 -0.083 0.000 1.036 160 Y CA -0.925 57.113 58.100 -0.103 0.000 1.065 160 Y CB 1.924 40.358 38.460 -0.043 0.000 1.288 160 Y HN 0.364 nan 8.280 nan 0.000 0.481 161 V N 1.680 121.675 119.914 0.135 0.000 2.459 161 V HA 0.859 4.978 4.120 -0.001 0.000 0.295 161 V C -0.442 175.777 176.094 0.208 0.000 1.029 161 V CA -0.770 61.628 62.300 0.163 0.000 0.874 161 V CB 1.154 33.029 31.823 0.087 0.000 0.985 161 V HN 0.849 nan 8.190 nan 0.000 0.438 162 A N 4.306 127.302 122.820 0.293 0.000 2.365 162 A HA 0.900 5.220 4.320 -0.001 0.000 0.318 162 A C -1.063 176.755 177.584 0.389 0.000 1.091 162 A CA -0.592 51.571 52.037 0.210 0.000 0.763 162 A CB 1.924 20.953 19.000 0.048 0.000 1.248 162 A HN 0.644 nan 8.150 nan 0.000 0.442 163 V N 2.514 122.548 119.914 0.200 0.000 2.409 163 V HA 0.307 4.426 4.120 -0.001 0.000 0.291 163 V C -0.697 175.495 176.094 0.163 0.000 1.020 163 V CA -0.549 61.943 62.300 0.319 0.000 0.848 163 V CB 1.357 33.326 31.823 0.244 0.000 0.990 163 V HN 0.881 nan 8.190 nan 0.000 0.430 164 W N 3.895 125.238 121.300 0.070 0.000 2.322 164 W HA 0.450 5.109 4.660 -0.001 0.000 0.307 164 W C 0.629 177.091 176.519 -0.096 0.000 1.220 164 W CA -0.248 57.089 57.345 -0.013 0.000 1.210 164 W CB 2.051 31.521 29.460 0.016 0.000 1.223 164 W HN 0.673 nan 8.180 nan 0.000 0.511 165 T N 0.329 114.781 114.554 -0.169 0.000 2.919 165 T HA 0.407 4.756 4.350 -0.001 0.000 0.282 165 T C -1.767 172.794 174.700 -0.233 0.000 1.020 165 T CA -1.706 60.105 62.100 -0.481 0.000 0.994 165 T CB 1.940 70.172 68.868 -1.061 0.000 1.180 165 T HN 0.071 nan 8.240 nan 0.000 0.566 166 P HA 0.032 nan 4.420 nan 0.000 0.220 166 P C 0.409 177.436 177.300 -0.454 0.000 1.148 166 P CA 0.969 63.806 63.100 -0.439 0.000 0.803 166 P CB -0.171 31.125 31.700 -0.674 0.000 0.782 167 Y N -1.380 118.884 120.300 -0.059 0.000 2.462 167 Y HA 0.480 5.030 4.550 -0.001 0.000 0.261 167 Y C 1.622 177.461 175.900 -0.102 0.000 1.146 167 Y CA 0.313 58.374 58.100 -0.065 0.000 1.283 167 Y CB -0.079 38.340 38.460 -0.069 0.000 1.090 167 Y HN -0.043 nan 8.280 nan 0.000 0.526 168 G N -0.339 108.421 108.800 -0.067 0.000 2.340 168 G HA2 0.245 4.205 3.960 -0.001 0.000 0.282 168 G HA3 0.245 4.205 3.960 -0.001 0.000 0.282 168 G C -1.745 172.967 174.900 -0.313 0.000 1.312 168 G CA -0.548 44.458 45.100 -0.158 0.000 0.942 168 G HN 0.330 nan 8.290 nan 0.000 0.495 169 V N -0.558 119.113 119.914 -0.405 0.000 2.732 169 V HA 0.916 5.035 4.120 -0.001 0.000 0.310 169 V C -0.204 175.694 176.094 -0.327 0.000 1.053 169 V CA -0.936 61.050 62.300 -0.523 0.000 0.957 169 V CB 1.285 32.534 31.823 -0.958 0.000 1.018 169 V HN 0.894 nan 8.190 nan 0.000 0.452 170 L N 5.214 126.285 121.223 -0.254 0.000 2.334 170 L HA 0.797 5.136 4.340 -0.001 0.000 0.273 170 L C -0.068 176.745 176.870 -0.095 0.000 1.013 170 L CA -0.716 54.041 54.840 -0.138 0.000 0.816 170 L CB 1.800 43.817 42.059 -0.070 0.000 1.278 170 L HN 0.878 nan 8.230 nan 0.000 0.431 171 R N 0.435 120.902 120.500 -0.055 0.000 2.604 171 R HA 0.406 4.746 4.340 -0.001 0.000 0.270 171 R C -0.832 175.491 176.300 0.039 0.000 1.052 171 R CA -0.500 55.589 56.100 -0.018 0.000 0.902 171 R CB 1.910 32.149 30.300 -0.102 0.000 1.233 171 R HN 0.791 nan 8.270 nan 0.000 0.455 172 T N 0.652 115.267 114.554 0.102 0.000 2.855 172 T HA 0.140 4.489 4.350 -0.001 0.000 0.322 172 T C 0.614 175.416 174.700 0.169 0.000 1.088 172 T CA -0.243 61.920 62.100 0.105 0.000 1.104 172 T CB 0.777 69.687 68.868 0.070 0.000 0.996 172 T HN 0.623 nan 8.240 nan 0.000 0.549 173 S N 0.531 116.290 115.700 0.099 0.000 2.652 173 S HA 0.438 4.907 4.470 -0.001 0.000 0.270 173 S C 0.140 174.801 174.600 0.101 0.000 1.243 173 S CA -1.204 57.061 58.200 0.109 0.000 0.999 173 S CB 0.693 63.917 63.200 0.040 0.000 0.973 173 S HN 0.900 nan 8.310 nan 0.000 0.544 174 R N 1.528 122.108 120.500 0.133 0.000 2.485 174 R HA -0.012 4.328 4.340 -0.001 0.000 0.304 174 R C -0.280 175.982 176.300 -0.062 0.000 0.934 174 R CA 0.979 57.105 56.100 0.044 0.000 1.102 174 R CB -0.871 29.463 30.300 0.056 0.000 0.906 174 R HN 0.867 nan 8.270 nan 0.000 0.407 175 N N 5.286 123.891 118.700 -0.158 0.000 2.549 175 N HA 0.267 5.007 4.740 -0.001 0.000 0.281 175 N C -2.241 173.183 175.510 -0.142 0.000 1.084 175 N CA -1.859 51.109 53.050 -0.135 0.000 0.862 175 N CB 1.756 40.154 38.487 -0.149 0.000 1.333 175 N HN 0.357 nan 8.380 nan 0.000 0.523 176 P HA -0.103 nan 4.420 nan 0.000 0.220 176 P C 0.716 177.969 177.300 -0.079 0.000 1.148 176 P CA 0.837 63.885 63.100 -0.086 0.000 0.803 176 P CB 0.325 31.991 31.700 -0.058 0.000 0.782 177 E N -0.698 119.456 120.200 -0.076 0.000 2.267 177 E HA -0.118 4.232 4.350 -0.001 0.000 0.197 177 E C 1.518 178.071 176.600 -0.079 0.000 0.998 177 E CA 1.701 58.061 56.400 -0.068 0.000 0.830 177 E CB -1.105 28.554 29.700 -0.069 0.000 0.751 177 E HN 0.422 nan 8.360 nan 0.000 0.491 178 T N -1.279 113.211 114.554 -0.105 0.000 3.105 178 T HA 0.068 4.418 4.350 -0.001 0.000 0.253 178 T C 0.234 174.894 174.700 -0.068 0.000 1.047 178 T CA -0.525 61.519 62.100 -0.093 0.000 0.944 178 T CB 0.060 68.849 68.868 -0.130 0.000 1.016 178 T HN -0.244 nan 8.240 nan 0.000 0.544 179 D N 3.063 123.410 120.400 -0.087 0.000 2.487 179 D HA 0.195 4.834 4.640 -0.001 0.000 0.243 179 D C -0.229 176.020 176.300 -0.085 0.000 1.154 179 D CA 0.786 54.729 54.000 -0.096 0.000 0.876 179 D CB 0.796 41.502 40.800 -0.156 0.000 1.161 179 D HN 0.189 nan 8.370 nan 0.000 0.478 180 T N 2.833 117.362 114.554 -0.041 0.000 2.840 180 T HA 0.246 4.596 4.350 -0.001 0.000 0.287 180 T C -0.405 174.272 174.700 -0.039 0.000 0.991 180 T CA -0.556 61.525 62.100 -0.032 0.000 0.964 180 T CB 0.267 69.149 68.868 0.023 0.000 0.954 180 T HN 0.076 nan 8.240 nan 0.000 0.438 181 Y N 2.688 122.948 120.300 -0.066 0.000 2.359 181 Y HA 0.454 5.004 4.550 -0.001 0.000 0.330 181 Y C 0.654 176.493 175.900 -0.101 0.000 1.143 181 Y CA -0.875 57.199 58.100 -0.043 0.000 1.318 181 Y CB 0.363 38.748 38.460 -0.126 0.000 1.234 181 Y HN 0.465 nan 8.280 nan 0.000 0.522 182 I N 5.381 126.038 120.570 0.145 0.000 2.382 182 I HA 0.327 4.496 4.170 -0.001 0.000 0.286 182 I C -0.612 175.507 176.117 0.004 0.000 1.002 182 I CA -0.331 60.964 61.300 -0.009 0.000 1.135 182 I CB 0.830 38.762 38.000 -0.113 0.000 1.288 182 I HN 0.430 nan 8.210 nan 0.000 0.448 183 L N 4.548 125.758 121.223 -0.020 0.000 2.298 183 L HA 0.583 4.922 4.340 -0.001 0.000 0.268 183 L C -0.373 176.479 176.870 -0.030 0.000 1.010 183 L CA -0.947 53.882 54.840 -0.018 0.000 0.812 183 L CB 1.113 43.227 42.059 0.092 0.000 1.331 183 L HN 0.266 nan 8.230 nan 0.000 0.450 184 F N 0.566 120.588 119.950 0.119 0.000 2.496 184 F HA 0.080 4.607 4.527 -0.001 0.000 0.344 184 F C 0.785 176.696 175.800 0.185 0.000 1.155 184 F CA 0.302 58.378 58.000 0.126 0.000 1.302 184 F CB 0.176 39.237 39.000 0.101 0.000 1.159 184 F HN 0.357 nan 8.300 nan 0.000 0.595 185 N N 2.811 121.744 118.700 0.389 0.000 2.716 185 N HA 0.318 5.058 4.740 -0.001 0.000 0.253 185 N C -2.372 173.349 175.510 0.351 0.000 1.170 185 N CA -2.130 51.149 53.050 0.381 0.000 0.807 185 N CB 1.208 39.857 38.487 0.269 0.000 1.183 185 N HN 0.036 nan 8.380 nan 0.000 0.524 186 P HA 0.006 nan 4.420 nan 0.000 0.225 186 P C 0.905 178.144 177.300 -0.101 0.000 1.148 186 P CA 0.860 63.929 63.100 -0.051 0.000 0.779 186 P CB 0.127 31.557 31.700 -0.451 0.000 0.780 187 W N -1.946 119.425 121.300 0.118 0.000 3.003 187 W HA 0.158 4.818 4.660 -0.001 0.000 0.257 187 W C 0.354 177.005 176.519 0.221 0.000 1.308 187 W CA -0.204 57.229 57.345 0.147 0.000 1.529 187 W CB -0.340 29.141 29.460 0.036 0.000 1.115 187 W HN -0.088 nan 8.180 nan 0.000 0.659 188 C N 3.256 122.767 119.300 0.352 0.000 2.265 188 C HA 0.165 4.625 4.460 -0.001 0.000 0.332 188 C C 1.811 176.701 174.990 -0.166 0.000 1.248 188 C CA -0.308 58.769 59.018 0.098 0.000 1.727 188 C CB -0.029 27.757 27.740 0.077 0.000 2.348 188 C HN 0.488 nan 8.230 nan 0.000 0.519 189 E N 2.095 121.961 120.200 -0.557 0.000 2.338 189 E HA -0.152 4.198 4.350 -0.001 0.000 0.197 189 E C 0.403 176.709 176.600 -0.489 0.000 1.007 189 E CA 1.114 56.825 56.400 -1.147 0.000 0.849 189 E CB -0.030 29.113 29.700 -0.928 0.000 0.774 189 E HN 0.716 nan 8.360 nan 0.000 0.506 190 D N 1.181 121.442 120.400 -0.232 0.000 2.339 190 D HA 0.000 4.640 4.640 -0.001 0.000 0.217 190 D C -0.149 176.132 176.300 -0.033 0.000 1.050 190 D CA 0.266 54.199 54.000 -0.113 0.000 0.856 190 D CB 0.050 40.797 40.800 -0.089 0.000 0.922 190 D HN 0.135 nan 8.370 nan 0.000 0.518 191 D N 0.316 120.723 120.400 0.012 0.000 2.256 191 D HA 0.211 4.851 4.640 -0.001 0.000 0.250 191 D C 1.179 177.559 176.300 0.132 0.000 1.093 191 D CA -0.371 53.690 54.000 0.101 0.000 0.882 191 D CB 1.722 42.620 40.800 0.165 0.000 1.185 191 D HN -0.069 nan 8.370 nan 0.000 0.437 192 A N 3.272 126.166 122.820 0.123 0.000 2.093 192 A HA -0.141 4.178 4.320 -0.001 0.000 0.222 192 A C 1.910 179.544 177.584 0.082 0.000 1.162 192 A CA 1.125 53.214 52.037 0.086 0.000 0.655 192 A CB -0.102 18.947 19.000 0.082 0.000 0.805 192 A HN 0.460 nan 8.150 nan 0.000 0.461 193 V N -0.988 119.016 119.914 0.151 0.000 3.596 193 V HA 0.072 4.192 4.120 -0.001 0.000 0.289 193 V C 0.575 176.818 176.094 0.248 0.000 1.336 193 V CA -0.420 61.971 62.300 0.151 0.000 1.137 193 V CB -1.082 30.806 31.823 0.108 0.000 0.966 193 V HN 0.587 nan 8.190 nan 0.000 0.428 194 Y N 1.363 121.725 120.300 0.105 0.000 2.895 194 Y HA 0.101 4.650 4.550 -0.001 0.000 0.334 194 Y C -0.163 175.797 175.900 0.100 0.000 1.261 194 Y CA 0.449 58.585 58.100 0.059 0.000 1.560 194 Y CB 0.096 38.586 38.460 0.051 0.000 1.253 194 Y HN 0.117 nan 8.280 nan 0.000 0.582 195 L N 6.655 127.487 121.223 -0.651 0.000 2.362 195 L HA 0.236 4.575 4.340 -0.001 0.000 0.275 195 L C 0.170 176.361 176.870 -1.133 0.000 0.998 195 L CA -0.721 53.602 54.840 -0.862 0.000 0.820 195 L CB 1.690 43.234 42.059 -0.858 0.000 1.270 195 L HN 0.758 nan 8.230 nan 0.000 0.415 196 D N 0.699 120.552 120.400 -0.912 0.000 2.340 196 D HA -0.006 4.634 4.640 -0.001 0.000 0.220 196 D C -0.125 175.963 176.300 -0.354 0.000 1.039 196 D CA 0.003 53.574 54.000 -0.715 0.000 0.866 196 D CB -0.093 40.511 40.800 -0.327 0.000 0.913 196 D HN 0.572 nan 8.370 nan 0.000 0.523 197 N N -1.805 116.678 118.700 -0.362 0.000 2.277 197 N HA 0.225 4.965 4.740 -0.001 0.000 0.286 197 N C 0.183 175.544 175.510 -0.248 0.000 1.140 197 N CA -0.835 52.083 53.050 -0.221 0.000 0.799 197 N CB 1.869 40.256 38.487 -0.167 0.000 1.596 197 N HN -0.279 nan 8.380 nan 0.000 0.473 198 E N 0.946 121.063 120.200 -0.137 0.000 2.150 198 E HA -0.077 4.272 4.350 -0.001 0.000 0.193 198 E C 0.885 177.409 176.600 -0.126 0.000 0.985 198 E CA 1.554 57.893 56.400 -0.102 0.000 0.814 198 E CB 0.093 29.809 29.700 0.027 0.000 0.752 198 E HN 0.649 nan 8.360 nan 0.000 0.466 199 K N 0.178 120.504 120.400 -0.123 0.000 2.032 199 K HA -0.174 4.145 4.320 -0.001 0.000 0.209 199 K C 2.144 178.605 176.600 -0.231 0.000 1.048 199 K CA 1.714 57.918 56.287 -0.138 0.000 0.927 199 K CB -0.116 32.315 32.500 -0.114 0.000 0.712 199 K HN 0.224 nan 8.250 nan 0.000 0.441 200 E N 0.222 120.260 120.200 -0.270 0.000 2.106 200 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 200 E C 2.124 178.520 176.600 -0.339 0.000 0.984 200 E CA 0.792 56.980 56.400 -0.354 0.000 0.806 200 E CB 0.028 29.591 29.700 -0.228 0.000 0.750 200 E HN 0.237 nan 8.360 nan 0.000 0.458 201 R N 1.004 121.281 120.500 -0.371 0.000 2.081 201 R HA -0.138 4.202 4.340 -0.001 0.000 0.235 201 R C 2.254 178.423 176.300 -0.218 0.000 1.131 201 R CA 1.289 57.116 56.100 -0.455 0.000 0.960 201 R CB -0.193 29.591 30.300 -0.859 0.000 0.856 201 R HN 0.246 nan 8.270 nan 0.000 0.436 202 E N 0.380 120.505 120.200 -0.124 0.000 2.058 202 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 202 E C 1.974 178.536 176.600 -0.064 0.000 0.997 202 E CA 1.339 57.731 56.400 -0.013 0.000 0.801 202 E CB -0.015 29.679 29.700 -0.009 0.000 0.746 202 E HN 0.245 nan 8.360 nan 0.000 0.450 203 E N 0.339 120.402 120.200 -0.228 0.000 2.047 203 E HA -0.164 4.186 4.350 -0.001 0.000 0.191 203 E C 1.325 177.825 176.600 -0.166 0.000 0.987 203 E CA 1.242 57.465 56.400 -0.295 0.000 0.799 203 E CB -0.141 29.182 29.700 -0.629 0.000 0.752 203 E HN 0.277 nan 8.360 nan 0.000 0.449 204 Y N -1.005 119.289 120.300 -0.011 0.000 2.482 204 Y HA 0.219 4.769 4.550 -0.001 0.000 0.270 204 Y C 1.524 177.414 175.900 -0.016 0.000 1.152 204 Y CA 0.071 58.175 58.100 0.008 0.000 1.292 204 Y CB 0.598 39.096 38.460 0.063 0.000 1.070 204 Y HN -0.027 nan 8.280 nan 0.000 0.528 205 V N -2.258 117.727 119.914 0.118 0.000 3.054 205 V HA 0.007 4.127 4.120 -0.001 0.000 0.227 205 V C 1.458 177.699 176.094 0.246 0.000 1.252 205 V CA 0.254 62.638 62.300 0.140 0.000 1.279 205 V CB -0.227 31.669 31.823 0.121 0.000 1.118 205 V HN -0.005 nan 8.190 nan 0.000 0.504 206 L N 0.727 122.126 121.223 0.294 0.000 2.341 206 L HA 0.258 4.598 4.340 -0.001 0.000 0.214 206 L C 1.025 178.110 176.870 0.359 0.000 1.115 206 L CA 0.794 55.879 54.840 0.408 0.000 0.820 206 L CB -1.115 41.111 42.059 0.278 0.000 0.944 206 L HN 0.306 nan 8.230 nan 0.000 0.452 207 N N 1.286 120.116 118.700 0.216 0.000 2.452 207 N HA -0.056 4.684 4.740 -0.001 0.000 0.266 207 N C 0.348 176.017 175.510 0.265 0.000 1.175 207 N CA 0.198 53.363 53.050 0.192 0.000 0.945 207 N CB 0.817 39.376 38.487 0.121 0.000 1.063 207 N HN 0.173 nan 8.380 nan 0.000 0.472 208 D N 2.952 123.508 120.400 0.259 0.000 2.368 208 D HA 0.117 4.757 4.640 -0.001 0.000 0.218 208 D C 0.189 176.597 176.300 0.180 0.000 1.112 208 D CA 0.098 54.250 54.000 0.253 0.000 0.834 208 D CB -0.057 40.878 40.800 0.226 0.000 0.953 208 D HN 0.386 nan 8.370 nan 0.000 0.505 209 I N 0.320 120.956 120.570 0.109 0.000 2.465 209 I HA 0.596 4.765 4.170 -0.001 0.000 0.291 209 I C 0.546 176.608 176.117 -0.092 0.000 1.014 209 I CA -0.924 60.326 61.300 -0.083 0.000 1.093 209 I CB 2.333 40.262 38.000 -0.118 0.000 1.267 209 I HN -0.021 nan 8.210 nan 0.000 0.431 210 G N 4.449 113.022 108.800 -0.379 0.000 3.013 210 G HA2 0.763 4.722 3.960 -0.001 0.000 0.278 210 G HA3 0.763 4.722 3.960 -0.001 0.000 0.278 210 G C -1.495 173.332 174.900 -0.123 0.000 1.353 210 G CA -0.543 44.462 45.100 -0.159 0.000 1.043 210 G HN 0.314 nan 8.290 nan 0.000 0.523 211 V N 0.301 120.176 119.914 -0.065 0.000 2.588 211 V HA 0.474 4.594 4.120 -0.001 0.000 0.304 211 V C -0.621 175.302 176.094 -0.285 0.000 1.042 211 V CA -0.493 61.670 62.300 -0.229 0.000 0.877 211 V CB 1.707 33.338 31.823 -0.320 0.000 0.996 211 V HN 0.571 nan 8.190 nan 0.000 0.425 212 I N 4.577 124.926 120.570 -0.368 0.000 2.362 212 I HA 0.460 4.630 4.170 -0.001 0.000 0.289 212 I C -0.954 174.907 176.117 -0.426 0.000 0.994 212 I CA -0.285 60.844 61.300 -0.284 0.000 1.158 212 I CB 1.503 39.373 38.000 -0.216 0.000 1.315 212 I HN 0.418 nan 8.210 nan 0.000 0.451 213 F N 6.990 126.860 119.950 -0.133 0.000 2.411 213 F HA 0.416 4.943 4.527 -0.001 0.000 0.350 213 F C 0.177 175.795 175.800 -0.303 0.000 1.114 213 F CA -0.230 57.677 58.000 -0.155 0.000 1.135 213 F CB 0.589 39.534 39.000 -0.093 0.000 1.120 213 F HN 0.381 nan 8.300 nan 0.000 0.495 214 Y N 0.350 120.416 120.300 -0.391 0.000 3.071 214 Y HA 0.909 5.459 4.550 -0.001 0.000 0.301 214 Y C 0.492 176.159 175.900 -0.388 0.000 1.657 214 Y CA -1.218 56.294 58.100 -0.979 0.000 1.078 214 Y CB 0.489 38.289 38.460 -1.100 0.000 1.465 214 Y HN 0.855 nan 8.280 nan 0.000 0.496 215 G N 1.060 109.676 108.800 -0.305 0.000 2.596 215 G HA2 0.149 4.109 3.960 -0.001 0.000 0.258 215 G HA3 0.149 4.109 3.960 -0.001 0.000 0.258 215 G C -0.704 174.306 174.900 0.183 0.000 1.207 215 G CA 0.697 45.752 45.100 -0.075 0.000 0.954 215 G HN 1.477 nan 8.290 nan 0.000 0.551 216 E N -1.606 118.622 120.200 0.047 0.000 2.437 216 E HA 0.635 4.984 4.350 -0.001 0.000 0.280 216 E C 0.901 177.244 176.600 -0.429 0.000 1.044 216 E CA -0.051 56.340 56.400 -0.014 0.000 0.826 216 E CB 0.883 30.591 29.700 0.013 0.000 1.358 216 E HN 1.392 nan 8.360 nan 0.000 0.459 217 V N 0.033 119.589 119.914 -0.597 0.000 2.324 217 V HA -0.307 3.812 4.120 -0.001 0.000 0.250 217 V C 1.232 177.036 176.094 -0.484 0.000 1.060 217 V CA 2.276 64.123 62.300 -0.755 0.000 1.042 217 V CB -1.259 30.307 31.823 -0.428 0.000 0.650 217 V HN 0.701 nan 8.190 nan 0.000 0.450 218 N N 0.021 118.547 118.700 -0.290 0.000 2.398 218 N HA 0.039 4.778 4.740 -0.001 0.000 0.188 218 N C 0.188 175.583 175.510 -0.192 0.000 1.122 218 N CA 0.648 53.580 53.050 -0.197 0.000 0.866 218 N CB 0.227 38.640 38.487 -0.122 0.000 0.970 218 N HN 0.491 nan 8.380 nan 0.000 0.462 219 D N 0.607 120.868 120.400 -0.233 0.000 2.823 219 D HA 0.178 4.818 4.640 -0.001 0.000 0.255 219 D C -0.956 175.195 176.300 -0.248 0.000 1.257 219 D CA -0.317 53.563 54.000 -0.200 0.000 0.803 219 D CB 0.048 40.757 40.800 -0.152 0.000 1.384 219 D HN -0.008 nan 8.370 nan 0.000 0.541 220 I N 2.346 122.752 120.570 -0.274 0.000 2.517 220 I HA 0.098 4.267 4.170 -0.001 0.000 0.285 220 I C 0.651 176.618 176.117 -0.250 0.000 1.106 220 I CA 0.034 61.179 61.300 -0.259 0.000 1.402 220 I CB 0.465 38.336 38.000 -0.216 0.000 1.399 220 I HN -0.155 nan 8.210 nan 0.000 0.535 221 K N 4.789 124.926 120.400 -0.438 0.000 2.156 221 K HA 0.615 4.935 4.320 -0.001 0.000 0.254 221 K C -0.249 175.948 176.600 -0.672 0.000 0.950 221 K CA -0.597 55.272 56.287 -0.696 0.000 0.849 221 K CB 2.062 33.759 32.500 -1.338 0.000 1.100 221 K HN 0.672 nan 8.250 nan 0.000 0.434 222 T N -0.565 113.726 114.554 -0.440 0.000 2.900 222 T HA 0.817 5.166 4.350 -0.001 0.000 0.295 222 T C -0.461 174.135 174.700 -0.174 0.000 1.044 222 T CA -1.076 60.799 62.100 -0.375 0.000 0.995 222 T CB 1.897 70.502 68.868 -0.438 0.000 1.072 222 T HN 0.603 nan 8.240 nan 0.000 0.473 223 R N 0.293 120.653 120.500 -0.233 0.000 2.799 223 R HA 0.847 5.187 4.340 -0.001 0.000 0.270 223 R C -1.003 175.131 176.300 -0.275 0.000 1.010 223 R CA -0.859 55.076 56.100 -0.274 0.000 0.916 223 R CB 0.724 30.671 30.300 -0.587 0.000 1.228 223 R HN 0.530 nan 8.270 nan 0.000 0.469 224 S N 0.102 115.676 115.700 -0.211 0.000 2.687 224 S HA 0.577 5.047 4.470 -0.001 0.000 0.283 224 S C -1.506 173.046 174.600 -0.080 0.000 1.170 224 S CA -0.637 57.472 58.200 -0.152 0.000 1.008 224 S CB 0.693 63.813 63.200 -0.132 0.000 1.026 224 S HN 0.499 nan 8.310 nan 0.000 0.541 225 W N 1.656 122.764 121.300 -0.321 0.000 3.042 225 W HA 0.353 5.013 4.660 -0.001 0.000 0.337 225 W C -0.716 175.556 176.519 -0.413 0.000 1.086 225 W CA -0.532 56.619 57.345 -0.323 0.000 1.236 225 W CB 1.754 31.014 29.460 -0.333 0.000 1.381 225 W HN 0.582 nan 8.180 nan 0.000 0.472 226 S N 4.797 120.152 115.700 -0.575 0.000 2.414 226 S HA 0.067 4.537 4.470 -0.001 0.000 0.290 226 S C 0.750 175.203 174.600 -0.244 0.000 1.160 226 S CA 0.018 57.993 58.200 -0.376 0.000 1.069 226 S CB 0.123 63.153 63.200 -0.284 0.000 1.012 226 S HN 0.402 nan 8.310 nan 0.000 0.510 227 Y N 4.108 124.492 120.300 0.140 0.000 2.114 227 Y HA 0.085 4.634 4.550 -0.001 0.000 0.284 227 Y C 2.322 178.248 175.900 0.044 0.000 1.143 227 Y CA 0.762 58.960 58.100 0.162 0.000 1.135 227 Y CB -0.935 37.592 38.460 0.112 0.000 0.980 227 Y HN 0.906 nan 8.280 nan 0.000 0.499 228 G N 0.370 109.253 108.800 0.138 0.000 2.198 228 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.257 228 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.257 228 G C 1.047 175.952 174.900 0.008 0.000 1.042 228 G CA 0.619 45.764 45.100 0.075 0.000 0.791 228 G HN 0.471 nan 8.290 nan 0.000 0.502 229 Q N -0.730 118.964 119.800 -0.176 0.000 2.364 229 Q HA 0.039 4.378 4.340 -0.001 0.000 0.207 229 Q C 1.613 177.333 176.000 -0.468 0.000 0.970 229 Q CA 1.324 56.908 55.803 -0.365 0.000 0.888 229 Q CB -0.306 28.072 28.738 -0.600 0.000 0.951 229 Q HN 0.631 nan 8.270 nan 0.000 0.469 230 F N 1.520 121.430 119.950 -0.066 0.000 2.727 230 F HA 0.296 4.822 4.527 -0.000 0.000 0.302 230 F C 0.753 176.583 175.800 0.051 0.000 1.097 230 F CA -0.552 57.352 58.000 -0.160 0.000 1.330 230 F CB 0.192 39.042 39.000 -0.251 0.000 1.084 230 F HN -0.120 nan 8.300 nan 0.000 0.578 231 E N 0.905 121.230 120.200 0.209 0.000 2.374 231 E HA -0.027 4.322 4.350 -0.001 0.000 0.260 231 E C -0.249 176.445 176.600 0.158 0.000 1.101 231 E CA -0.227 56.307 56.400 0.223 0.000 0.907 231 E CB 0.614 30.444 29.700 0.217 0.000 1.014 231 E HN -0.005 nan 8.360 nan 0.000 0.427 232 D N -0.072 120.390 120.400 0.102 0.000 2.533 232 D HA 0.015 4.654 4.640 -0.001 0.000 0.236 232 D C 1.070 177.407 176.300 0.062 0.000 1.137 232 D CA 1.540 55.572 54.000 0.054 0.000 0.867 232 D CB 0.441 41.227 40.800 -0.022 0.000 1.170 232 D HN 0.621 nan 8.370 nan 0.000 0.474 233 G N 3.776 112.615 108.800 0.064 0.000 2.253 233 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.251 233 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.251 233 G C 1.261 176.217 174.900 0.094 0.000 0.998 233 G CA 0.312 45.450 45.100 0.064 0.000 0.621 233 G HN 0.517 nan 8.290 nan 0.000 0.524 234 I N 0.754 121.392 120.570 0.113 0.000 2.277 234 I HA 0.089 4.259 4.170 -0.001 0.000 0.243 234 I C 2.788 178.991 176.117 0.145 0.000 1.094 234 I CA 1.206 62.585 61.300 0.132 0.000 1.393 234 I CB -1.219 36.852 38.000 0.119 0.000 1.078 234 I HN 0.349 nan 8.210 nan 0.000 0.417 235 L N 0.779 122.082 121.223 0.132 0.000 2.013 235 L HA -0.281 4.058 4.340 -0.001 0.000 0.212 235 L C 2.207 179.155 176.870 0.129 0.000 1.073 235 L CA 1.851 56.743 54.840 0.086 0.000 0.753 235 L CB -0.398 41.600 42.059 -0.101 0.000 0.890 235 L HN 0.260 nan 8.230 nan 0.000 0.432 236 D N -0.919 119.569 120.400 0.147 0.000 2.182 236 D HA -0.163 4.477 4.640 -0.001 0.000 0.201 236 D C 2.008 178.437 176.300 0.216 0.000 0.986 236 D CA 1.689 55.807 54.000 0.197 0.000 0.847 236 D CB -0.063 40.829 40.800 0.155 0.000 0.942 236 D HN 0.385 nan 8.370 nan 0.000 0.467 237 T N 0.037 114.714 114.554 0.206 0.000 2.821 237 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 237 T C 2.248 177.188 174.700 0.399 0.000 1.046 237 T CA 0.719 62.993 62.100 0.291 0.000 1.139 237 T CB -0.369 68.649 68.868 0.250 0.000 0.871 237 T HN 0.247 nan 8.240 nan 0.000 0.454 238 C N 1.025 120.525 119.300 0.334 0.000 2.440 238 C HA 0.051 4.510 4.460 -0.001 0.000 0.278 238 C C 2.541 177.768 174.990 0.395 0.000 1.295 238 C CA 0.122 59.387 59.018 0.411 0.000 1.738 238 C CB -1.292 26.546 27.740 0.163 0.000 1.987 238 C HN 0.383 nan 8.230 nan 0.000 0.492 239 L N -0.129 121.265 121.223 0.285 0.000 2.083 239 L HA -0.117 4.223 4.340 -0.001 0.000 0.209 239 L C 2.187 179.218 176.870 0.269 0.000 1.083 239 L CA 1.679 56.666 54.840 0.246 0.000 0.752 239 L CB -1.603 40.578 42.059 0.203 0.000 0.899 239 L HN 0.446 nan 8.230 nan 0.000 0.433 240 Y N -0.434 119.975 120.300 0.181 0.000 2.200 240 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 240 Y C 2.435 178.466 175.900 0.217 0.000 1.137 240 Y CA 1.348 59.543 58.100 0.159 0.000 1.163 240 Y CB -0.316 38.227 38.460 0.138 0.000 0.988 240 Y HN -0.066 nan 8.280 nan 0.000 0.518 241 V N 0.725 120.820 119.914 0.302 0.000 2.252 241 V HA -0.433 3.687 4.120 -0.001 0.000 0.249 241 V C 2.444 178.584 176.094 0.076 0.000 1.056 241 V CA 2.579 64.991 62.300 0.187 0.000 1.022 241 V CB -0.695 31.259 31.823 0.218 0.000 0.641 241 V HN 0.485 nan 8.190 nan 0.000 0.445 242 M N -0.604 119.107 119.600 0.184 0.000 2.117 242 M HA -0.173 4.307 4.480 -0.001 0.000 0.262 242 M C 1.966 178.294 176.300 0.046 0.000 1.065 242 M CA 1.798 57.184 55.300 0.142 0.000 1.114 242 M CB -0.645 32.085 32.600 0.216 0.000 1.361 242 M HN 0.335 nan 8.290 nan 0.000 0.408 243 D N 0.018 120.429 120.400 0.019 0.000 2.144 243 D HA -0.114 4.525 4.640 -0.001 0.000 0.199 243 D C 2.102 178.335 176.300 -0.112 0.000 0.984 243 D CA 1.002 54.981 54.000 -0.034 0.000 0.834 243 D CB -0.297 40.493 40.800 -0.017 0.000 0.955 243 D HN 0.179 nan 8.370 nan 0.000 0.465 244 R N 0.590 120.950 120.500 -0.234 0.000 2.148 244 R HA 0.106 4.445 4.340 -0.001 0.000 0.223 244 R C 1.907 178.152 176.300 -0.091 0.000 1.088 244 R CA 0.671 56.642 56.100 -0.215 0.000 0.985 244 R CB -0.622 29.497 30.300 -0.300 0.000 0.880 244 R HN 0.115 nan 8.270 nan 0.000 0.451 245 A N 0.757 123.539 122.820 -0.064 0.000 2.209 245 A HA -0.079 4.241 4.320 -0.001 0.000 0.212 245 A C 0.460 178.027 177.584 -0.028 0.000 1.158 245 A CA 0.179 52.190 52.037 -0.043 0.000 0.742 245 A CB -0.152 18.825 19.000 -0.038 0.000 0.790 245 A HN 0.406 nan 8.150 nan 0.000 0.472 246 Q N -2.021 117.766 119.800 -0.023 0.000 2.468 246 Q HA -0.195 4.144 4.340 -0.001 0.000 0.289 246 Q C -0.051 175.953 176.000 0.007 0.000 1.299 246 Q CA 0.757 56.557 55.803 -0.006 0.000 0.838 246 Q CB -1.603 27.129 28.738 -0.009 0.000 1.195 246 Q HN 0.806 nan 8.270 nan 0.000 0.456 247 M N 1.487 121.098 119.600 0.019 0.000 2.194 247 M HA 0.099 4.578 4.480 -0.001 0.000 0.347 247 M C 0.090 176.415 176.300 0.042 0.000 1.439 247 M CA -0.120 55.201 55.300 0.035 0.000 1.131 247 M CB 0.449 33.088 32.600 0.065 0.000 1.733 247 M HN 0.137 nan 8.290 nan 0.000 0.467 248 D N 3.837 124.260 120.400 0.038 0.000 2.586 248 D HA -0.091 4.549 4.640 -0.001 0.000 0.234 248 D C 0.880 177.214 176.300 0.056 0.000 1.132 248 D CA 0.446 54.472 54.000 0.045 0.000 0.860 248 D CB 0.642 41.466 40.800 0.040 0.000 1.159 248 D HN 0.687 nan 8.370 nan 0.000 0.490 249 L N 2.764 124.018 121.223 0.052 0.000 2.127 249 L HA -0.175 4.165 4.340 -0.001 0.000 0.211 249 L C 2.342 179.254 176.870 0.070 0.000 1.089 249 L CA 0.863 55.731 54.840 0.046 0.000 0.757 249 L CB -0.298 41.773 42.059 0.019 0.000 0.899 249 L HN 0.418 nan 8.230 nan 0.000 0.434 250 S N -0.220 115.526 115.700 0.076 0.000 2.442 250 S HA -0.088 4.382 4.470 -0.001 0.000 0.236 250 S C 1.802 176.460 174.600 0.096 0.000 1.007 250 S CA 1.063 59.317 58.200 0.090 0.000 0.965 250 S CB -0.245 63.003 63.200 0.080 0.000 0.773 250 S HN 0.618 nan 8.310 nan 0.000 0.504 251 G N 0.623 109.479 108.800 0.093 0.000 2.985 251 G HA2 0.020 3.979 3.960 -0.001 0.000 0.209 251 G HA3 0.020 3.979 3.960 -0.001 0.000 0.209 251 G C 1.190 176.177 174.900 0.145 0.000 1.165 251 G CA -0.361 44.805 45.100 0.110 0.000 0.776 251 G HN 0.363 nan 8.290 nan 0.000 0.541 252 R N 0.088 120.674 120.500 0.143 0.000 2.299 252 R HA 0.065 4.404 4.340 -0.001 0.000 0.197 252 R C 2.061 178.473 176.300 0.186 0.000 0.971 252 R CA 0.466 56.672 56.100 0.175 0.000 1.030 252 R CB 0.356 30.730 30.300 0.122 0.000 0.932 252 R HN 0.242 nan 8.270 nan 0.000 0.477 253 G N 0.434 109.328 108.800 0.157 0.000 3.284 253 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.236 253 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.236 253 G C -0.074 175.018 174.900 0.319 0.000 1.158 253 G CA -0.301 44.877 45.100 0.129 0.000 0.774 253 G HN 0.048 nan 8.290 nan 0.000 0.545 254 N N 1.106 120.000 118.700 0.324 0.000 2.501 254 N HA 0.260 4.999 4.740 -0.001 0.000 0.245 254 N C -1.219 174.442 175.510 0.252 0.000 0.974 254 N CA -2.437 50.772 53.050 0.265 0.000 0.941 254 N CB 2.543 41.134 38.487 0.173 0.000 1.122 254 N HN -0.101 nan 8.380 nan 0.000 0.507 255 P HA -0.116 nan 4.420 nan 0.000 0.220 255 P C 1.417 178.701 177.300 -0.025 0.000 1.148 255 P CA 0.999 64.014 63.100 -0.143 0.000 0.803 255 P CB 0.585 32.059 31.700 -0.377 0.000 0.782 256 I N 0.252 120.847 120.570 0.040 0.000 2.179 256 I HA -0.202 3.968 4.170 -0.001 0.000 0.242 256 I C 2.787 178.931 176.117 0.045 0.000 1.088 256 I CA 1.619 62.962 61.300 0.071 0.000 1.357 256 I CB -0.578 37.501 38.000 0.133 0.000 1.051 256 I HN -0.070 nan 8.210 nan 0.000 0.409 257 K N 0.692 121.134 120.400 0.070 0.000 2.228 257 K HA -0.054 4.266 4.320 -0.001 0.000 0.202 257 K C 2.044 178.692 176.600 0.079 0.000 1.051 257 K CA 0.628 56.937 56.287 0.036 0.000 0.960 257 K CB 0.251 32.793 32.500 0.070 0.000 0.743 257 K HN 0.080 nan 8.250 nan 0.000 0.458 258 V N 0.752 120.757 119.914 0.152 0.000 2.343 258 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 258 V C 2.094 178.361 176.094 0.289 0.000 1.051 258 V CA 1.999 64.447 62.300 0.247 0.000 1.036 258 V CB -0.350 31.638 31.823 0.276 0.000 0.654 258 V HN 0.312 nan 8.190 nan 0.000 0.451 259 S N -0.533 115.296 115.700 0.215 0.000 2.382 259 S HA -0.228 4.242 4.470 -0.001 0.000 0.228 259 S C 2.109 176.806 174.600 0.161 0.000 1.027 259 S CA 1.816 60.208 58.200 0.319 0.000 0.991 259 S CB -0.332 62.991 63.200 0.205 0.000 0.823 259 S HN 0.504 nan 8.310 nan 0.000 0.469 260 R N 1.328 121.807 120.500 -0.034 0.000 2.062 260 R HA 0.012 4.352 4.340 -0.001 0.000 0.231 260 R C 1.991 178.174 176.300 -0.194 0.000 1.136 260 R CA 1.608 57.565 56.100 -0.239 0.000 0.948 260 R CB -0.946 29.091 30.300 -0.438 0.000 0.845 260 R HN 0.258 nan 8.270 nan 0.000 0.430 261 V N 0.018 119.871 119.914 -0.102 0.000 2.407 261 V HA -0.002 4.117 4.120 -0.001 0.000 0.245 261 V C 2.264 178.289 176.094 -0.115 0.000 1.041 261 V CA 1.884 64.127 62.300 -0.094 0.000 1.040 261 V CB -0.970 30.838 31.823 -0.025 0.000 0.671 261 V HN 0.633 nan 8.190 nan 0.000 0.455 262 G N 0.625 109.406 108.800 -0.032 0.000 2.440 262 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 262 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 262 G C 1.834 176.487 174.900 -0.413 0.000 1.154 262 G CA 1.486 46.445 45.100 -0.236 0.000 0.767 262 G HN 0.645 nan 8.290 nan 0.000 0.552 263 S N 0.699 116.095 115.700 -0.507 0.000 2.453 263 S HA 0.321 4.790 4.470 -0.001 0.000 0.231 263 S C 2.415 176.688 174.600 -0.545 0.000 1.005 263 S CA 1.145 58.748 58.200 -0.995 0.000 0.949 263 S CB -0.107 62.421 63.200 -1.121 0.000 0.774 263 S HN 0.555 nan 8.310 nan 0.000 0.510 264 A N 1.442 124.047 122.820 -0.360 0.000 2.119 264 A HA 0.274 4.593 4.320 -0.001 0.000 0.217 264 A C 2.082 179.521 177.584 -0.241 0.000 1.153 264 A CA 0.830 52.712 52.037 -0.258 0.000 0.692 264 A CB -0.490 18.388 19.000 -0.204 0.000 0.799 264 A HN 0.479 nan 8.150 nan 0.000 0.458 265 M N -0.568 118.863 119.600 -0.282 0.000 2.558 265 M HA 0.025 4.504 4.480 -0.001 0.000 0.255 265 M C 1.876 177.989 176.300 -0.311 0.000 1.113 265 M CA 0.696 55.839 55.300 -0.261 0.000 1.097 265 M CB -0.646 31.790 32.600 -0.273 0.000 1.426 265 M HN 0.243 nan 8.290 nan 0.000 0.488 266 V N 0.592 120.285 119.914 -0.368 0.000 2.323 266 V HA -0.165 3.954 4.120 -0.001 0.000 0.244 266 V C 1.042 176.904 176.094 -0.386 0.000 1.041 266 V CA 1.099 63.185 62.300 -0.357 0.000 1.025 266 V CB -0.693 30.914 31.823 -0.359 0.000 0.656 266 V HN 0.481 nan 8.190 nan 0.000 0.451 267 N N 0.655 119.071 118.700 -0.474 0.000 2.419 267 N HA 0.421 5.161 4.740 -0.001 0.000 0.264 267 N C -0.365 175.013 175.510 -0.220 0.000 1.031 267 N CA 0.146 52.898 53.050 -0.497 0.000 0.951 267 N CB 1.060 39.203 38.487 -0.574 0.000 1.101 267 N HN 0.362 nan 8.380 nan 0.000 0.488 268 A N 3.892 126.648 122.820 -0.107 0.000 2.354 268 A HA 0.208 4.528 4.320 -0.001 0.000 0.281 268 A C 0.098 177.680 177.584 -0.002 0.000 1.174 268 A CA -0.354 51.664 52.037 -0.032 0.000 0.828 268 A CB 0.134 19.151 19.000 0.030 0.000 1.099 268 A HN 0.711 nan 8.150 nan 0.000 0.516 269 K N 3.371 123.766 120.400 -0.008 0.000 2.240 269 K HA 0.350 4.669 4.320 -0.001 0.000 0.271 269 K C -0.592 176.021 176.600 0.022 0.000 1.018 269 K CA -0.438 55.852 56.287 0.005 0.000 0.874 269 K CB 0.386 32.880 32.500 -0.011 0.000 1.098 269 K HN 0.919 nan 8.250 nan 0.000 0.458 270 D N 1.443 121.863 120.400 0.034 0.000 3.497 270 D HA -0.255 4.385 4.640 -0.001 0.000 0.178 270 D C 0.347 176.676 176.300 0.049 0.000 1.185 270 D CA 1.622 55.645 54.000 0.039 0.000 1.091 270 D CB -0.387 40.429 40.800 0.028 0.000 0.574 270 D HN 0.897 nan 8.370 nan 0.000 0.650 271 D N 1.208 121.635 120.400 0.046 0.000 2.336 271 D HA -0.040 4.599 4.640 -0.001 0.000 0.229 271 D C -0.002 176.339 176.300 0.069 0.000 1.061 271 D CA 0.642 54.676 54.000 0.058 0.000 0.875 271 D CB 0.077 40.905 40.800 0.047 0.000 0.904 271 D HN 0.226 nan 8.370 nan 0.000 0.525 272 E N 0.449 120.683 120.200 0.055 0.000 2.183 272 E HA 0.563 4.912 4.350 -0.001 0.000 0.271 272 E C 0.516 177.138 176.600 0.037 0.000 0.919 272 E CA -0.394 56.039 56.400 0.055 0.000 0.781 272 E CB 2.056 31.773 29.700 0.027 0.000 1.140 272 E HN 0.325 nan 8.360 nan 0.000 0.402 273 G N 0.357 109.185 108.800 0.048 0.000 2.440 273 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.684 273 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.684 273 G C 0.307 175.125 174.900 -0.137 0.000 1.309 273 G CA -0.419 44.636 45.100 -0.076 0.000 0.931 273 G HN 0.263 nan 8.290 nan 0.000 0.612 274 V N -0.000 119.699 119.914 -0.357 0.000 2.446 274 V HA 0.305 4.425 4.120 -0.001 0.000 0.244 274 V C 1.300 177.305 176.094 -0.149 0.000 1.039 274 V CA 1.596 63.575 62.300 -0.536 0.000 1.045 274 V CB -0.413 31.048 31.823 -0.603 0.000 0.681 274 V HN 0.527 nan 8.190 nan 0.000 0.459 275 L N -0.266 120.919 121.223 -0.064 0.000 2.386 275 L HA 0.504 4.843 4.340 -0.001 0.000 0.271 275 L C -0.948 176.019 176.870 0.162 0.000 0.993 275 L CA -0.580 54.311 54.840 0.085 0.000 0.819 275 L CB 2.481 44.671 42.059 0.217 0.000 1.294 275 L HN -0.120 nan 8.230 nan 0.000 0.414 276 V N 2.128 122.174 119.914 0.220 0.000 2.432 276 V HA 0.370 4.489 4.120 -0.001 0.000 0.271 276 V C 0.836 177.208 176.094 0.463 0.000 1.046 276 V CA -0.432 62.051 62.300 0.305 0.000 0.945 276 V CB 1.070 33.086 31.823 0.321 0.000 0.992 276 V HN 0.857 nan 8.190 nan 0.000 0.471 277 G N 3.168 112.253 108.800 0.475 0.000 2.415 277 G HA2 0.489 4.449 3.960 -0.001 0.000 0.269 277 G HA3 0.489 4.449 3.960 -0.001 0.000 0.269 277 G C -0.260 174.891 174.900 0.418 0.000 1.209 277 G CA -0.141 45.303 45.100 0.573 0.000 0.835 277 G HN 0.806 nan 8.290 nan 0.000 0.534 278 S N 0.358 116.194 115.700 0.225 0.000 2.566 278 S HA 0.563 5.032 4.470 -0.001 0.000 0.273 278 S C -1.207 173.489 174.600 0.160 0.000 1.157 278 S CA -0.690 57.623 58.200 0.189 0.000 0.938 278 S CB 0.736 63.844 63.200 -0.152 0.000 1.087 278 S HN 0.412 nan 8.310 nan 0.000 0.474 279 F N 3.186 123.224 119.950 0.147 0.000 2.879 279 F HA 0.299 4.825 4.527 -0.001 0.000 0.354 279 F C 1.024 176.670 175.800 -0.257 0.000 1.291 279 F CA -0.696 57.367 58.000 0.105 0.000 1.238 279 F CB 0.865 39.834 39.000 -0.052 0.000 1.005 279 F HN 0.663 nan 8.300 nan 0.000 0.508 280 D N -1.887 118.450 120.400 -0.105 0.000 2.398 280 D HA 0.065 4.705 4.640 -0.001 0.000 0.210 280 D C 0.934 177.021 176.300 -0.355 0.000 1.094 280 D CA 0.186 53.998 54.000 -0.313 0.000 0.839 280 D CB -0.103 40.510 40.800 -0.313 0.000 0.963 280 D HN 0.169 nan 8.370 nan 0.000 0.506 281 N N -1.221 117.286 118.700 -0.321 0.000 2.965 281 N HA -0.157 4.583 4.740 -0.001 0.000 0.232 281 N C 0.077 175.385 175.510 -0.337 0.000 0.913 281 N CA 1.207 54.231 53.050 -0.043 0.000 0.981 281 N CB -0.986 37.583 38.487 0.136 0.000 1.077 281 N HN 0.290 nan 8.380 nan 0.000 0.589 282 I N -1.970 118.099 120.570 -0.836 0.000 3.739 282 I HA 0.155 4.324 4.170 -0.001 0.000 0.272 282 I C 0.348 176.227 176.117 -0.396 0.000 1.167 282 I CA 0.957 61.995 61.300 -0.437 0.000 1.386 282 I CB -0.772 37.071 38.000 -0.262 0.000 1.490 282 I HN 0.166 nan 8.210 nan 0.000 0.452 283 Y N 0.950 121.218 120.300 -0.053 0.000 3.477 283 Y HA -0.135 4.414 4.550 -0.001 0.000 0.216 283 Y C 0.855 176.854 175.900 0.164 0.000 1.296 283 Y CA -0.059 58.029 58.100 -0.021 0.000 1.535 283 Y CB -2.610 35.908 38.460 0.095 0.000 1.482 283 Y HN 0.212 nan 8.280 nan 0.000 0.597 284 A N -0.803 122.083 122.820 0.111 0.000 2.511 284 A HA 0.380 4.700 4.320 -0.001 0.000 0.242 284 A C 0.478 178.232 177.584 0.283 0.000 1.069 284 A CA 0.718 52.785 52.037 0.051 0.000 0.763 284 A CB -0.237 18.772 19.000 0.015 0.000 1.001 284 A HN 0.853 nan 8.150 nan 0.000 0.498 285 Y N -0.947 119.479 120.300 0.210 0.000 4.644 285 Y HA -0.183 4.367 4.550 -0.000 0.000 0.241 285 Y C 1.017 176.992 175.900 0.124 0.000 1.077 285 Y CA 1.501 59.698 58.100 0.161 0.000 2.080 285 Y CB -1.559 36.994 38.460 0.156 0.000 1.613 285 Y HN 1.500 nan 8.280 nan 0.000 0.686 286 G N -1.692 107.255 108.800 0.245 0.000 2.578 286 G HA2 0.616 4.576 3.960 -0.001 0.000 0.302 286 G HA3 0.616 4.576 3.960 -0.001 0.000 0.302 286 G C -1.632 173.291 174.900 0.040 0.000 1.243 286 G CA -0.156 44.947 45.100 0.005 0.000 0.843 286 G HN 0.163 nan 8.290 nan 0.000 0.486 287 V N 2.045 121.919 119.914 -0.065 0.000 2.417 287 V HA 0.470 4.589 4.120 -0.001 0.000 0.291 287 V C -2.166 173.781 176.094 -0.246 0.000 1.024 287 V CA -1.413 60.700 62.300 -0.312 0.000 0.861 287 V CB 1.970 33.320 31.823 -0.787 0.000 0.985 287 V HN 0.511 nan 8.190 nan 0.000 0.436 288 P HA 0.099 nan 4.420 nan 0.000 0.265 288 P C -2.113 174.882 177.300 -0.508 0.000 1.187 288 P CA -0.832 61.976 63.100 -0.487 0.000 0.766 288 P CB 0.162 31.713 31.700 -0.249 0.000 0.820 289 P HA -0.155 nan 4.420 nan 0.000 0.216 289 P C 1.167 178.514 177.300 0.078 0.000 1.150 289 P CA 1.744 64.725 63.100 -0.199 0.000 0.843 289 P CB -0.161 31.242 31.700 -0.494 0.000 0.787 290 S N -1.008 114.762 115.700 0.116 0.000 2.481 290 S HA -0.007 4.463 4.470 -0.001 0.000 0.231 290 S C 1.910 176.546 174.600 0.061 0.000 0.996 290 S CA 0.966 59.352 58.200 0.310 0.000 0.942 290 S CB -0.692 62.673 63.200 0.276 0.000 0.768 290 S HN 0.146 nan 8.310 nan 0.000 0.520 291 A N 0.602 123.278 122.820 -0.239 0.000 2.016 291 A HA 0.067 4.386 4.320 -0.001 0.000 0.217 291 A C 0.477 177.739 177.584 -0.535 0.000 1.162 291 A CA -0.013 51.722 52.037 -0.503 0.000 0.662 291 A CB -0.489 18.058 19.000 -0.755 0.000 0.812 291 A HN 0.557 nan 8.150 nan 0.000 0.450 292 W N 0.535 121.729 121.300 -0.177 0.000 2.193 292 W HA 0.237 4.897 4.660 -0.001 0.000 0.338 292 W C 1.367 177.745 176.519 -0.235 0.000 1.310 292 W CA 0.527 57.754 57.345 -0.197 0.000 1.243 292 W CB 0.450 29.884 29.460 -0.043 0.000 1.165 292 W HN 0.242 nan 8.180 nan 0.000 0.566 293 T N -0.273 114.208 114.554 -0.121 0.000 3.054 293 T HA 0.533 4.882 4.350 -0.001 0.000 0.255 293 T C 0.509 174.663 174.700 -0.911 0.000 1.035 293 T CA 0.247 62.157 62.100 -0.316 0.000 0.941 293 T CB 0.217 69.018 68.868 -0.112 0.000 1.026 293 T HN 0.685 nan 8.240 nan 0.000 0.533 294 G N 0.052 108.049 108.800 -1.339 0.000 2.342 294 G HA2 0.407 4.366 3.960 -0.001 0.000 0.297 294 G HA3 0.407 4.366 3.960 -0.001 0.000 0.297 294 G C -0.027 174.394 174.900 -0.800 0.000 1.313 294 G CA -0.120 43.977 45.100 -1.671 0.000 0.830 294 G HN -0.103 nan 8.290 nan 0.000 0.506 295 S N -0.904 114.665 115.700 -0.218 0.000 2.501 295 S HA 0.040 4.509 4.470 -0.001 0.000 0.220 295 S C 2.405 177.008 174.600 0.005 0.000 0.997 295 S CA 0.927 59.192 58.200 0.109 0.000 0.919 295 S CB 0.227 63.632 63.200 0.341 0.000 0.778 295 S HN 0.458 nan 8.310 nan 0.000 0.523 296 V N 3.547 123.449 119.914 -0.020 0.000 2.270 296 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 296 V C 2.372 178.480 176.094 0.025 0.000 1.043 296 V CA 2.008 64.326 62.300 0.030 0.000 1.014 296 V CB -0.744 31.107 31.823 0.047 0.000 0.645 296 V HN 0.551 nan 8.190 nan 0.000 0.447 297 D N 0.231 120.640 120.400 0.016 0.000 2.178 297 D HA -0.179 4.460 4.640 -0.001 0.000 0.201 297 D C 1.962 178.244 176.300 -0.031 0.000 0.980 297 D CA 1.333 55.365 54.000 0.054 0.000 0.842 297 D CB -0.514 40.388 40.800 0.170 0.000 0.948 297 D HN 0.462 nan 8.370 nan 0.000 0.472 298 I N 0.218 120.655 120.570 -0.222 0.000 2.142 298 I HA -0.231 3.939 4.170 -0.001 0.000 0.240 298 I C 2.630 178.707 176.117 -0.067 0.000 1.078 298 I CA 0.816 61.911 61.300 -0.342 0.000 1.343 298 I CB -0.202 37.461 38.000 -0.562 0.000 1.046 298 I HN -0.044 nan 8.210 nan 0.000 0.405 299 L N 0.102 121.332 121.223 0.012 0.000 2.046 299 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 299 L C 2.473 179.443 176.870 0.167 0.000 1.077 299 L CA 1.300 56.222 54.840 0.137 0.000 0.747 299 L CB -0.392 41.759 42.059 0.153 0.000 0.896 299 L HN 0.258 nan 8.230 nan 0.000 0.432 300 L N -0.715 120.565 121.223 0.095 0.000 2.156 300 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 300 L C 2.526 179.427 176.870 0.052 0.000 1.095 300 L CA 0.727 55.607 54.840 0.066 0.000 0.770 300 L CB -0.383 41.707 42.059 0.051 0.000 0.914 300 L HN 0.242 nan 8.230 nan 0.000 0.439 301 E N 0.083 120.325 120.200 0.069 0.000 2.072 301 E HA -0.275 4.074 4.350 -0.001 0.000 0.191 301 E C 2.101 178.757 176.600 0.094 0.000 0.985 301 E CA 1.274 57.716 56.400 0.070 0.000 0.801 301 E CB -0.351 29.401 29.700 0.087 0.000 0.750 301 E HN 0.424 nan 8.360 nan 0.000 0.452 302 Y N 0.865 121.178 120.300 0.021 0.000 2.128 302 Y HA -0.230 4.320 4.550 -0.001 0.000 0.284 302 Y C 2.341 178.288 175.900 0.078 0.000 1.154 302 Y CA 2.434 60.572 58.100 0.064 0.000 1.149 302 Y CB -0.356 38.155 38.460 0.085 0.000 0.976 302 Y HN 0.015 nan 8.280 nan 0.000 0.505 303 R N 0.738 121.180 120.500 -0.097 0.000 2.066 303 R HA -0.120 4.219 4.340 -0.001 0.000 0.232 303 R C 2.567 178.655 176.300 -0.354 0.000 1.131 303 R CA 2.100 57.961 56.100 -0.398 0.000 0.955 303 R CB -0.943 29.218 30.300 -0.231 0.000 0.851 303 R HN 0.508 nan 8.270 nan 0.000 0.432 304 S N -0.801 114.797 115.700 -0.169 0.000 2.371 304 S HA -0.115 4.355 4.470 -0.001 0.000 0.224 304 S C 2.040 176.579 174.600 -0.102 0.000 1.029 304 S CA 0.986 59.110 58.200 -0.127 0.000 0.978 304 S CB -0.543 62.620 63.200 -0.063 0.000 0.833 304 S HN 0.474 nan 8.310 nan 0.000 0.466 305 S N 1.287 116.945 115.700 -0.070 0.000 2.436 305 S HA 0.041 4.510 4.470 -0.001 0.000 0.228 305 S C 0.713 175.275 174.600 -0.064 0.000 1.014 305 S CA 0.769 58.945 58.200 -0.041 0.000 0.950 305 S CB -0.762 62.441 63.200 0.005 0.000 0.784 305 S HN 0.623 nan 8.310 nan 0.000 0.504 306 E N 0.582 120.695 120.200 -0.145 0.000 3.070 306 E HA -0.145 4.204 4.350 -0.001 0.000 0.285 306 E C -0.777 175.785 176.600 -0.064 0.000 0.972 306 E CA 0.593 56.914 56.400 -0.131 0.000 0.915 306 E CB -1.765 27.927 29.700 -0.013 0.000 1.466 306 E HN 0.637 nan 8.360 nan 0.000 0.432 307 N N -0.464 118.238 118.700 0.003 0.000 2.525 307 N HA 0.384 5.124 4.740 -0.001 0.000 0.270 307 N C -2.870 172.784 175.510 0.240 0.000 1.321 307 N CA -1.626 51.492 53.050 0.114 0.000 0.797 307 N CB 1.990 40.519 38.487 0.070 0.000 1.529 307 N HN -0.248 nan 8.380 nan 0.000 0.491 308 P HA 0.109 nan 4.420 nan 0.000 0.269 308 P C -0.471 176.911 177.300 0.137 0.000 1.209 308 P CA -0.128 63.088 63.100 0.194 0.000 0.776 308 P CB 0.667 32.440 31.700 0.122 0.000 0.876 309 V N 4.442 124.423 119.914 0.111 0.000 2.481 309 V HA 0.339 4.458 4.120 -0.001 0.000 0.286 309 V C 0.685 176.807 176.094 0.047 0.000 1.042 309 V CA -0.429 61.917 62.300 0.077 0.000 0.928 309 V CB 0.982 32.826 31.823 0.035 0.000 0.986 309 V HN 0.426 nan 8.190 nan 0.000 0.462 310 R N 3.917 124.388 120.500 -0.049 0.000 2.295 310 R HA 0.663 5.002 4.340 -0.001 0.000 0.324 310 R C -1.542 174.691 176.300 -0.112 0.000 0.968 310 R CA -0.341 55.498 56.100 -0.434 0.000 0.837 310 R CB 1.254 30.906 30.300 -1.080 0.000 1.133 310 R HN 0.665 nan 8.270 nan 0.000 0.450 311 Y N -0.353 120.156 120.300 0.347 0.000 2.677 311 Y HA 0.676 5.225 4.550 -0.001 0.000 0.334 311 Y C 0.595 176.596 175.900 0.168 0.000 1.154 311 Y CA -1.056 57.177 58.100 0.221 0.000 1.070 311 Y CB 2.346 40.887 38.460 0.135 0.000 1.294 311 Y HN 0.649 nan 8.280 nan 0.000 0.475 312 G N 0.027 108.927 108.800 0.166 0.000 2.605 312 G HA2 0.705 4.665 3.960 -0.001 0.000 0.296 312 G HA3 0.705 4.665 3.960 -0.001 0.000 0.296 312 G C -1.634 172.808 174.900 -0.762 0.000 1.304 312 G CA -0.646 44.280 45.100 -0.290 0.000 0.941 312 G HN 0.495 nan 8.290 nan 0.000 0.475 313 Q N -1.237 117.804 119.800 -1.265 0.000 3.156 313 Q HA 0.284 4.623 4.340 -0.001 0.000 0.301 313 Q C 1.757 177.017 176.000 -1.232 0.000 1.026 313 Q CA -0.441 54.603 55.803 -1.265 0.000 0.827 313 Q CB 1.423 29.537 28.738 -1.040 0.000 1.490 313 Q HN 0.762 nan 8.270 nan 0.000 0.492 314 C N -1.035 118.152 119.300 -0.188 0.000 2.429 314 C HA -0.055 4.405 4.460 -0.001 0.000 0.277 314 C C 2.161 177.153 174.990 0.003 0.000 1.262 314 C CA 0.852 59.968 59.018 0.164 0.000 1.733 314 C CB -1.579 26.633 27.740 0.786 0.000 2.010 314 C HN 0.976 nan 8.230 nan 0.000 0.483 315 W N 1.895 123.165 121.300 -0.049 0.000 2.465 315 W HA 0.190 4.849 4.660 -0.000 0.000 0.268 315 W C 1.705 177.965 176.519 -0.431 0.000 1.242 315 W CA 0.977 58.205 57.345 -0.195 0.000 1.248 315 W CB -0.973 28.375 29.460 -0.186 0.000 1.118 315 W HN 0.153 nan 8.180 nan 0.000 0.587 316 V N 1.215 120.505 119.914 -1.040 0.000 2.346 316 V HA -0.245 3.874 4.120 -0.001 0.000 0.244 316 V C 2.294 178.192 176.094 -0.327 0.000 1.037 316 V CA 1.577 63.420 62.300 -0.762 0.000 1.029 316 V CB -1.087 30.313 31.823 -0.705 0.000 0.663 316 V HN 0.051 nan 8.190 nan 0.000 0.454 317 F N 1.437 121.256 119.950 -0.218 0.000 2.095 317 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 317 F C 2.552 178.336 175.800 -0.027 0.000 1.104 317 F CA 1.060 59.008 58.000 -0.087 0.000 1.232 317 F CB -1.730 37.253 39.000 -0.029 0.000 0.987 317 F HN 0.116 nan 8.300 nan 0.000 0.475 318 A N 0.581 123.487 122.820 0.144 0.000 1.883 318 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 318 A C 2.648 180.238 177.584 0.010 0.000 1.186 318 A CA 2.075 54.180 52.037 0.113 0.000 0.624 318 A CB -1.602 17.428 19.000 0.050 0.000 0.822 318 A HN 0.414 nan 8.150 nan 0.000 0.444 319 G N -0.516 108.113 108.800 -0.285 0.000 2.459 319 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.217 319 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.217 319 G C 1.542 176.568 174.900 0.211 0.000 1.183 319 G CA 1.417 46.286 45.100 -0.385 0.000 0.776 319 G HN 0.350 nan 8.290 nan 0.000 0.552 320 V N 0.322 120.380 119.914 0.241 0.000 2.287 320 V HA -0.171 3.948 4.120 -0.001 0.000 0.248 320 V C 2.381 178.646 176.094 0.285 0.000 1.053 320 V CA 1.925 64.391 62.300 0.276 0.000 1.027 320 V CB -0.622 31.306 31.823 0.175 0.000 0.646 320 V HN 0.348 nan 8.190 nan 0.000 0.447 321 F N 1.501 121.502 119.950 0.085 0.000 2.186 321 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 321 F C 2.149 178.026 175.800 0.130 0.000 1.090 321 F CA 1.809 59.860 58.000 0.086 0.000 1.307 321 F CB -0.642 38.382 39.000 0.040 0.000 1.019 321 F HN 0.203 nan 8.300 nan 0.000 0.489 322 N N -0.678 118.020 118.700 -0.004 0.000 2.120 322 N HA -0.169 4.570 4.740 -0.001 0.000 0.188 322 N C 1.756 177.117 175.510 -0.249 0.000 1.024 322 N CA 2.093 55.001 53.050 -0.237 0.000 0.852 322 N CB -0.355 37.929 38.487 -0.338 0.000 1.003 322 N HN 0.217 nan 8.380 nan 0.000 0.424 323 T N -0.111 114.434 114.554 -0.016 0.000 2.635 323 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 323 T C 1.527 176.254 174.700 0.045 0.000 1.040 323 T CA 1.464 63.600 62.100 0.061 0.000 1.156 323 T CB -0.675 68.335 68.868 0.235 0.000 0.863 323 T HN 0.321 nan 8.240 nan 0.000 0.430 324 F N 1.613 121.539 119.950 -0.039 0.000 2.091 324 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 324 F C 1.953 177.689 175.800 -0.107 0.000 1.103 324 F CA 1.320 59.307 58.000 -0.022 0.000 1.228 324 F CB -0.478 38.553 39.000 0.051 0.000 0.984 324 F HN 0.072 nan 8.300 nan 0.000 0.477 325 L N -0.018 121.101 121.223 -0.173 0.000 2.005 325 L HA -0.195 4.145 4.340 -0.001 0.000 0.207 325 L C 2.692 179.442 176.870 -0.201 0.000 1.072 325 L CA 1.654 56.321 54.840 -0.289 0.000 0.744 325 L CB -0.771 41.074 42.059 -0.358 0.000 0.895 325 L HN 0.020 nan 8.230 nan 0.000 0.433 326 R N -0.869 119.525 120.500 -0.176 0.000 2.096 326 R HA -0.193 4.147 4.340 -0.001 0.000 0.235 326 R C 2.444 178.698 176.300 -0.077 0.000 1.127 326 R CA 1.559 57.591 56.100 -0.113 0.000 0.968 326 R CB -0.936 29.269 30.300 -0.158 0.000 0.861 326 R HN 0.456 nan 8.270 nan 0.000 0.440 327 C N 0.868 120.099 119.300 -0.116 0.000 2.425 327 C HA -0.023 4.436 4.460 -0.001 0.000 0.277 327 C C 2.309 177.361 174.990 0.104 0.000 1.280 327 C CA 0.674 59.681 59.018 -0.019 0.000 1.744 327 C CB -0.848 26.877 27.740 -0.024 0.000 1.989 327 C HN 0.434 nan 8.230 nan 0.000 0.491 328 L N 0.049 121.265 121.223 -0.013 0.000 2.418 328 L HA 0.229 4.569 4.340 -0.001 0.000 0.218 328 L C 1.962 179.016 176.870 0.306 0.000 1.125 328 L CA 1.149 56.050 54.840 0.101 0.000 0.835 328 L CB -0.494 41.564 42.059 -0.001 0.000 0.953 328 L HN 0.574 nan 8.230 nan 0.000 0.454 329 G N 0.549 109.484 108.800 0.225 0.000 2.154 329 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.186 329 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.186 329 G C 0.070 175.066 174.900 0.160 0.000 1.000 329 G CA -0.589 44.686 45.100 0.291 0.000 0.664 329 G HN 0.190 nan 8.290 nan 0.000 0.513 330 I N 2.154 122.702 120.570 -0.036 0.000 2.325 330 I HA 0.289 4.459 4.170 -0.001 0.000 0.291 330 I C -1.932 174.155 176.117 -0.050 0.000 1.019 330 I CA -2.339 58.869 61.300 -0.155 0.000 1.302 330 I CB 1.431 39.234 38.000 -0.327 0.000 1.401 330 I HN -0.132 nan 8.210 nan 0.000 0.485 331 P HA 0.201 nan 4.420 nan 0.000 0.268 331 P C -0.887 176.505 177.300 0.153 0.000 1.205 331 P CA -0.023 63.108 63.100 0.053 0.000 0.771 331 P CB 0.819 32.483 31.700 -0.061 0.000 0.858 332 A N 2.843 125.765 122.820 0.170 0.000 2.612 332 A HA 0.823 5.143 4.320 -0.001 0.000 0.293 332 A C -1.106 176.464 177.584 -0.024 0.000 1.075 332 A CA -0.683 51.419 52.037 0.108 0.000 0.680 332 A CB 1.682 20.636 19.000 -0.078 0.000 1.279 332 A HN 0.667 nan 8.150 nan 0.000 0.411 333 R N 0.447 120.851 120.500 -0.160 0.000 2.692 333 R HA 0.758 5.098 4.340 -0.001 0.000 0.269 333 R C -1.865 174.336 176.300 -0.165 0.000 1.030 333 R CA -0.814 55.173 56.100 -0.188 0.000 0.882 333 R CB 0.999 31.105 30.300 -0.325 0.000 1.250 333 R HN 0.519 nan 8.270 nan 0.000 0.465 334 I N 2.124 122.644 120.570 -0.083 0.000 2.392 334 I HA 0.407 4.577 4.170 -0.001 0.000 0.295 334 I C 0.117 176.133 176.117 -0.167 0.000 0.985 334 I CA -1.214 60.036 61.300 -0.083 0.000 1.221 334 I CB 2.009 40.008 38.000 -0.002 0.000 1.366 334 I HN 0.524 nan 8.210 nan 0.000 0.467 335 V N 1.811 121.531 119.914 -0.324 0.000 2.715 335 V HA 0.672 4.792 4.120 -0.001 0.000 0.310 335 V C -0.307 175.438 176.094 -0.582 0.000 1.054 335 V CA -0.234 61.779 62.300 -0.478 0.000 0.928 335 V CB 1.816 33.251 31.823 -0.648 0.000 1.007 335 V HN 0.705 nan 8.190 nan 0.000 0.437 336 T N 3.869 118.126 114.554 -0.495 0.000 2.792 336 T HA 0.450 4.800 4.350 -0.001 0.000 0.280 336 T C -0.523 173.796 174.700 -0.635 0.000 0.990 336 T CA -0.160 61.631 62.100 -0.516 0.000 0.960 336 T CB 1.006 69.635 68.868 -0.397 0.000 0.939 336 T HN 0.939 nan 8.240 nan 0.000 0.439 337 N N 2.000 120.316 118.700 -0.639 0.000 2.424 337 N HA 0.294 5.034 4.740 -0.001 0.000 0.271 337 N C -1.560 173.782 175.510 -0.279 0.000 0.985 337 N CA -0.544 52.255 53.050 -0.417 0.000 0.921 337 N CB 0.369 38.696 38.487 -0.267 0.000 1.149 337 N HN 0.450 nan 8.380 nan 0.000 0.492 338 Y N 3.927 124.177 120.300 -0.085 0.000 2.336 338 Y HA 0.344 4.894 4.550 -0.001 0.000 0.335 338 Y C -0.217 175.620 175.900 -0.105 0.000 1.046 338 Y CA -0.166 57.840 58.100 -0.157 0.000 1.198 338 Y CB 0.293 38.565 38.460 -0.314 0.000 1.182 338 Y HN 0.387 nan 8.280 nan 0.000 0.502 339 F N 1.240 121.304 119.950 0.190 0.000 2.423 339 F HA -0.220 4.307 4.527 -0.001 0.000 0.403 339 F C 0.132 176.004 175.800 0.120 0.000 1.142 339 F CA -0.076 57.988 58.000 0.107 0.000 1.321 339 F CB -1.566 37.344 39.000 -0.150 0.000 1.934 339 F HN 0.370 nan 8.300 nan 0.000 0.782 340 S N 1.309 117.214 115.700 0.342 0.000 2.437 340 S HA 0.830 5.300 4.470 -0.001 0.000 0.305 340 S C 0.133 174.805 174.600 0.121 0.000 1.109 340 S CA 0.036 58.362 58.200 0.210 0.000 1.099 340 S CB 1.192 64.515 63.200 0.205 0.000 1.004 340 S HN 0.828 nan 8.310 nan 0.000 0.475 341 A N 4.438 127.312 122.820 0.090 0.000 2.922 341 A HA 0.377 4.696 4.320 -0.001 0.000 0.298 341 A C -0.149 177.417 177.584 -0.030 0.000 1.588 341 A CA -0.144 51.922 52.037 0.050 0.000 1.288 341 A CB -0.559 18.478 19.000 0.062 0.000 1.130 341 A HN 0.924 nan 8.150 nan 0.000 0.557 342 H N 1.258 120.123 119.070 -0.343 0.000 2.499 342 H HA 0.298 4.854 4.556 -0.000 0.000 0.352 342 H C 0.253 175.466 175.328 -0.191 0.000 1.237 342 H CA -0.081 55.691 56.048 -0.461 0.000 1.343 342 H CB 0.729 29.749 29.762 -1.237 0.000 1.578 342 H HN 0.714 nan 8.280 nan 0.000 0.577 343 D N 0.937 121.037 120.400 -0.501 0.000 2.737 343 D HA -0.246 4.394 4.640 -0.001 0.000 0.233 343 D C 0.420 176.673 176.300 -0.078 0.000 1.155 343 D CA 1.069 54.935 54.000 -0.223 0.000 0.667 343 D CB -1.495 39.242 40.800 -0.106 0.000 1.060 343 D HN 0.745 nan 8.370 nan 0.000 0.427 344 N N 0.456 119.131 118.700 -0.043 0.000 2.416 344 N HA -0.070 4.670 4.740 -0.001 0.000 0.177 344 N C 0.697 176.247 175.510 0.067 0.000 1.036 344 N CA 0.997 54.061 53.050 0.023 0.000 0.901 344 N CB 0.134 38.637 38.487 0.027 0.000 0.976 344 N HN 0.163 nan 8.380 nan 0.000 0.444 345 D N -1.314 119.182 120.400 0.161 0.000 2.945 345 D HA -0.270 4.369 4.640 -0.001 0.000 0.225 345 D C 0.395 176.774 176.300 0.131 0.000 1.158 345 D CA 1.147 55.297 54.000 0.250 0.000 0.805 345 D CB -1.421 39.448 40.800 0.115 0.000 1.098 345 D HN 0.711 nan 8.370 nan 0.000 0.426 346 A N -1.213 121.544 122.820 -0.105 0.000 2.861 346 A HA -0.342 3.978 4.320 -0.001 0.000 0.261 346 A C 0.578 178.076 177.584 -0.143 0.000 1.351 346 A CA 1.395 53.203 52.037 -0.383 0.000 0.904 346 A CB -2.061 16.456 19.000 -0.805 0.000 1.076 346 A HN 0.750 nan 8.150 nan 0.000 0.729 347 N N -0.189 118.483 118.700 -0.047 0.000 2.479 347 N HA 0.504 5.244 4.740 -0.001 0.000 0.285 347 N C 0.503 176.020 175.510 0.012 0.000 1.075 347 N CA -0.436 52.605 53.050 -0.014 0.000 0.967 347 N CB 0.623 39.110 38.487 0.001 0.000 1.137 347 N HN 0.386 nan 8.380 nan 0.000 0.472 348 L N 2.087 123.326 121.223 0.026 0.000 2.685 348 L HA 0.214 4.554 4.340 -0.001 0.000 0.233 348 L C 0.048 176.933 176.870 0.026 0.000 1.173 348 L CA 0.170 55.039 54.840 0.049 0.000 0.961 348 L CB 0.036 42.151 42.059 0.093 0.000 1.217 348 L HN 0.451 nan 8.230 nan 0.000 0.478 349 Q N 1.183 120.986 119.800 0.006 0.000 2.292 349 Q HA 0.496 4.835 4.340 -0.001 0.000 0.270 349 Q C -0.991 174.986 176.000 -0.039 0.000 1.024 349 Q CA -0.091 55.700 55.803 -0.019 0.000 0.768 349 Q CB 3.175 31.902 28.738 -0.019 0.000 1.250 349 Q HN 0.112 nan 8.270 nan 0.000 0.447 350 M N 2.309 121.867 119.600 -0.069 0.000 2.383 350 M HA 0.431 4.911 4.480 -0.001 0.000 0.325 350 M C -1.539 174.644 176.300 -0.195 0.000 1.092 350 M CA -0.567 54.680 55.300 -0.088 0.000 0.961 350 M CB 1.463 34.032 32.600 -0.052 0.000 1.672 350 M HN 0.504 nan 8.290 nan 0.000 0.438 351 D N 4.468 124.722 120.400 -0.243 0.000 2.163 351 D HA 0.493 5.132 4.640 -0.001 0.000 0.248 351 D C -0.988 175.003 176.300 -0.515 0.000 1.035 351 D CA -0.035 53.674 54.000 -0.485 0.000 0.872 351 D CB 1.805 42.159 40.800 -0.743 0.000 1.183 351 D HN 0.433 nan 8.370 nan 0.000 0.445 352 I N 1.891 122.081 120.570 -0.634 0.000 2.389 352 I HA 0.250 4.420 4.170 -0.001 0.000 0.288 352 I C -0.518 175.314 176.117 -0.476 0.000 0.999 352 I CA -0.513 60.527 61.300 -0.433 0.000 1.129 352 I CB 0.781 38.587 38.000 -0.323 0.000 1.288 352 I HN 0.107 nan 8.210 nan 0.000 0.444 353 F N 6.054 125.936 119.950 -0.115 0.000 2.394 353 F HA 0.515 5.042 4.527 -0.001 0.000 0.340 353 F C -0.133 175.587 175.800 -0.133 0.000 1.105 353 F CA -0.648 57.270 58.000 -0.136 0.000 1.124 353 F CB 0.866 39.765 39.000 -0.168 0.000 1.145 353 F HN 0.067 nan 8.300 nan 0.000 0.505 354 L N 2.612 123.868 121.223 0.055 0.000 2.331 354 L HA 0.394 4.734 4.340 -0.001 0.000 0.275 354 L C 0.271 177.116 176.870 -0.042 0.000 1.022 354 L CA -1.092 53.733 54.840 -0.025 0.000 0.812 354 L CB 1.136 43.183 42.059 -0.021 0.000 1.257 354 L HN 0.576 nan 8.230 nan 0.000 0.435 355 E N 1.506 121.650 120.200 -0.093 0.000 2.409 355 E HA 0.030 4.380 4.350 -0.001 0.000 0.257 355 E C 0.638 177.193 176.600 -0.076 0.000 1.150 355 E CA -0.274 56.070 56.400 -0.094 0.000 0.942 355 E CB 0.968 30.586 29.700 -0.137 0.000 0.979 355 E HN 0.480 nan 8.360 nan 0.000 0.447 356 E N 0.930 121.097 120.200 -0.055 0.000 2.160 356 E HA -0.218 4.132 4.350 -0.001 0.000 0.195 356 E C 1.167 177.744 176.600 -0.039 0.000 0.991 356 E CA 1.455 57.834 56.400 -0.034 0.000 0.810 356 E CB -0.037 29.651 29.700 -0.020 0.000 0.742 356 E HN 0.477 nan 8.360 nan 0.000 0.466 357 D N -0.834 119.524 120.400 -0.070 0.000 2.348 357 D HA -0.044 4.596 4.640 -0.001 0.000 0.216 357 D C 1.388 177.669 176.300 -0.030 0.000 0.970 357 D CA 1.051 55.024 54.000 -0.046 0.000 0.889 357 D CB 0.195 40.948 40.800 -0.078 0.000 0.912 357 D HN 0.272 nan 8.370 nan 0.000 0.524 358 G N -0.637 108.096 108.800 -0.111 0.000 2.284 358 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.201 358 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.201 358 G C 0.199 174.968 174.900 -0.219 0.000 0.998 358 G CA -0.220 44.855 45.100 -0.042 0.000 0.651 358 G HN 0.338 nan 8.290 nan 0.000 0.489 359 N N 0.568 118.919 118.700 -0.581 0.000 2.381 359 N HA 0.286 5.026 4.740 -0.001 0.000 0.241 359 N C 0.714 176.058 175.510 -0.278 0.000 1.279 359 N CA 0.370 53.108 53.050 -0.519 0.000 0.896 359 N CB 1.210 39.369 38.487 -0.546 0.000 1.118 359 N HN 0.136 nan 8.380 nan 0.000 0.438 360 V N 2.289 122.039 119.914 -0.273 0.000 2.637 360 V HA -0.028 4.092 4.120 -0.001 0.000 0.296 360 V C 0.846 176.822 176.094 -0.198 0.000 1.046 360 V CA -0.374 61.747 62.300 -0.298 0.000 1.066 360 V CB 0.691 32.156 31.823 -0.597 0.000 0.968 360 V HN 0.573 nan 8.190 nan 0.000 0.483 361 N N 3.142 121.766 118.700 -0.126 0.000 2.437 361 N HA 0.074 4.814 4.740 -0.001 0.000 0.243 361 N C 0.958 176.439 175.510 -0.047 0.000 1.041 361 N CA 0.237 53.243 53.050 -0.073 0.000 0.940 361 N CB 1.487 39.950 38.487 -0.039 0.000 1.133 361 N HN 0.747 nan 8.380 nan 0.000 0.506 362 S N 2.776 118.446 115.700 -0.048 0.000 2.558 362 S HA 0.020 4.490 4.470 -0.001 0.000 0.217 362 S C 1.488 176.089 174.600 0.001 0.000 0.975 362 S CA 0.128 58.321 58.200 -0.013 0.000 0.912 362 S CB 0.229 63.430 63.200 0.002 0.000 0.776 362 S HN 0.611 nan 8.310 nan 0.000 0.526 363 K N 1.250 121.639 120.400 -0.018 0.000 2.116 363 K HA 0.201 4.520 4.320 -0.001 0.000 0.203 363 K C 1.692 178.275 176.600 -0.028 0.000 1.052 363 K CA 0.841 57.114 56.287 -0.024 0.000 0.952 363 K CB -0.139 32.338 32.500 -0.038 0.000 0.729 363 K HN 0.393 nan 8.250 nan 0.000 0.446 364 L N 0.457 121.656 121.223 -0.041 0.000 2.416 364 L HA 0.051 4.390 4.340 -0.001 0.000 0.216 364 L C 0.476 177.427 176.870 0.136 0.000 1.098 364 L CA 0.202 54.996 54.840 -0.077 0.000 0.840 364 L CB 0.280 42.148 42.059 -0.319 0.000 0.981 364 L HN -0.031 nan 8.230 nan 0.000 0.462 365 T N 1.603 116.263 114.554 0.176 0.000 2.775 365 T HA 0.089 4.439 4.350 -0.001 0.000 0.287 365 T C 0.969 175.742 174.700 0.122 0.000 0.909 365 T CA 0.067 62.283 62.100 0.193 0.000 1.081 365 T CB 0.520 69.447 68.868 0.097 0.000 0.891 365 T HN 0.038 nan 8.240 nan 0.000 0.544 366 K N 1.434 121.909 120.400 0.125 0.000 2.491 366 K HA 0.168 4.488 4.320 -0.001 0.000 0.211 366 K C -0.118 176.518 176.600 0.061 0.000 1.210 366 K CA -0.034 56.298 56.287 0.075 0.000 1.003 366 K CB 0.879 33.415 32.500 0.060 0.000 1.009 366 K HN 0.460 nan 8.250 nan 0.000 0.577 367 D N 1.311 121.752 120.400 0.068 0.000 2.210 367 D HA 0.258 4.898 4.640 -0.001 0.000 0.249 367 D C -0.361 175.971 176.300 0.052 0.000 1.062 367 D CA 0.159 54.191 54.000 0.053 0.000 0.891 367 D CB 1.710 42.535 40.800 0.042 0.000 1.186 367 D HN -0.170 nan 8.370 nan 0.000 0.432 368 S N 0.359 116.098 115.700 0.064 0.000 2.542 368 S HA 0.503 4.973 4.470 -0.001 0.000 0.293 368 S C -0.224 174.467 174.600 0.153 0.000 1.089 368 S CA -0.851 57.385 58.200 0.060 0.000 0.961 368 S CB 2.045 65.253 63.200 0.013 0.000 1.062 368 S HN 0.155 nan 8.310 nan 0.000 0.483 369 V N 2.220 122.230 119.914 0.161 0.000 2.481 369 V HA 0.336 4.455 4.120 -0.001 0.000 0.286 369 V C -0.786 175.551 176.094 0.404 0.000 1.042 369 V CA -0.694 61.782 62.300 0.293 0.000 0.928 369 V CB 0.663 32.648 31.823 0.269 0.000 0.986 369 V HN 0.844 nan 8.190 nan 0.000 0.462 370 W N 3.365 124.724 121.300 0.097 0.000 2.216 370 W HA 0.310 4.970 4.660 -0.001 0.000 0.326 370 W C 1.500 178.124 176.519 0.174 0.000 1.319 370 W CA -0.745 56.614 57.345 0.024 0.000 1.213 370 W CB -0.573 28.836 29.460 -0.085 0.000 1.171 370 W HN 0.635 nan 8.180 nan 0.000 0.557 371 N N 0.958 119.861 118.700 0.338 0.000 2.094 371 N HA -0.198 4.541 4.740 -0.001 0.000 0.191 371 N C -0.370 175.342 175.510 0.336 0.000 1.023 371 N CA 1.680 54.948 53.050 0.364 0.000 0.857 371 N CB -0.182 38.531 38.487 0.377 0.000 1.013 371 N HN 0.496 nan 8.380 nan 0.000 0.426 372 Y N -2.701 117.779 120.300 0.300 0.000 2.655 372 Y HA 0.640 5.190 4.550 -0.000 0.000 0.336 372 Y C -1.235 174.936 175.900 0.453 0.000 1.154 372 Y CA -1.539 56.619 58.100 0.097 0.000 1.055 372 Y CB 1.029 39.343 38.460 -0.245 0.000 1.295 372 Y HN -0.101 nan 8.280 nan 0.000 0.465 373 H N 0.028 119.224 119.070 0.210 0.000 3.087 373 H HA 0.632 5.188 4.556 -0.001 0.000 0.348 373 H C -1.923 173.499 175.328 0.158 0.000 1.092 373 H CA -1.168 55.026 56.048 0.242 0.000 1.285 373 H CB 1.462 31.201 29.762 -0.039 0.000 1.875 373 H HN 1.135 nan 8.280 nan 0.000 0.512 374 C N 4.825 124.064 119.300 -0.102 0.000 2.370 374 C HA 0.724 5.184 4.460 -0.001 0.000 0.354 374 C C -0.518 174.307 174.990 -0.276 0.000 1.218 374 C CA -0.271 58.620 59.018 -0.212 0.000 2.154 374 C CB -1.069 26.723 27.740 0.086 0.000 2.391 374 C HN 0.868 nan 8.230 nan 0.000 0.540 375 W N 1.598 122.744 121.300 -0.256 0.000 3.069 375 W HA 0.665 5.325 4.660 -0.000 0.000 0.390 375 W C -1.426 175.080 176.519 -0.023 0.000 1.130 375 W CA -0.792 56.470 57.345 -0.139 0.000 1.138 375 W CB 0.142 29.510 29.460 -0.155 0.000 1.497 375 W HN 0.467 nan 8.180 nan 0.000 0.600 376 N N 0.184 119.130 118.700 0.409 0.000 2.362 376 N HA 0.489 5.229 4.740 -0.001 0.000 0.299 376 N C -1.509 174.189 175.510 0.313 0.000 1.170 376 N CA -0.993 52.214 53.050 0.261 0.000 0.825 376 N CB 2.095 40.798 38.487 0.360 0.000 1.299 376 N HN 0.412 nan 8.380 nan 0.000 0.502 377 E N 0.190 120.468 120.200 0.130 0.000 2.238 377 E HA 0.737 5.086 4.350 -0.001 0.000 0.267 377 E C -1.244 175.554 176.600 0.330 0.000 0.887 377 E CA -1.097 55.427 56.400 0.207 0.000 0.769 377 E CB 2.069 31.724 29.700 -0.075 0.000 1.187 377 E HN 0.548 nan 8.360 nan 0.000 0.416 378 A N 2.908 125.993 122.820 0.441 0.000 2.371 378 A HA 0.399 4.718 4.320 -0.001 0.000 0.311 378 A C -1.612 176.165 177.584 0.323 0.000 1.068 378 A CA -0.673 51.564 52.037 0.332 0.000 0.744 378 A CB 1.081 20.166 19.000 0.140 0.000 1.239 378 A HN 0.718 nan 8.150 nan 0.000 0.435 379 W N 5.723 126.953 121.300 -0.118 0.000 2.316 379 W HA 0.600 5.259 4.660 -0.001 0.000 0.308 379 W C -0.955 175.394 176.519 -0.282 0.000 1.106 379 W CA -0.223 56.848 57.345 -0.457 0.000 1.262 379 W CB 1.173 30.111 29.460 -0.871 0.000 1.233 379 W HN 0.856 nan 8.180 nan 0.000 0.447 380 M N 3.686 122.898 119.600 -0.648 0.000 2.833 380 M HA 0.316 4.796 4.480 -0.001 0.000 0.270 380 M C -0.595 175.408 176.300 -0.495 0.000 1.209 380 M CA -0.656 54.364 55.300 -0.467 0.000 0.826 380 M CB 1.462 33.936 32.600 -0.210 0.000 1.657 380 M HN 0.197 nan 8.290 nan 0.000 0.492 381 T N -0.192 114.190 114.554 -0.287 0.000 2.813 381 T HA 0.512 4.861 4.350 -0.001 0.000 0.297 381 T C -0.005 174.603 174.700 -0.154 0.000 1.036 381 T CA -0.606 61.362 62.100 -0.221 0.000 1.044 381 T CB 0.620 69.418 68.868 -0.116 0.000 0.993 381 T HN 0.665 nan 8.240 nan 0.000 0.535 382 R N 2.285 122.711 120.500 -0.123 0.000 2.477 382 R HA 0.274 4.614 4.340 -0.001 0.000 0.285 382 R C -2.187 174.074 176.300 -0.064 0.000 1.415 382 R CA -2.174 53.883 56.100 -0.071 0.000 1.446 382 R CB 1.085 31.350 30.300 -0.059 0.000 1.110 382 R HN 0.585 nan 8.270 nan 0.000 0.590 383 P HA -0.032 nan 4.420 nan 0.000 0.245 383 P C 0.341 177.620 177.300 -0.035 0.000 1.212 383 P CA 0.533 63.610 63.100 -0.039 0.000 0.774 383 P CB 0.346 32.036 31.700 -0.018 0.000 0.999 384 D N -0.780 119.601 120.400 -0.032 0.000 2.355 384 D HA -0.011 4.628 4.640 -0.001 0.000 0.218 384 D C 0.706 176.948 176.300 -0.097 0.000 1.004 384 D CA 0.389 54.364 54.000 -0.042 0.000 0.880 384 D CB -0.173 40.616 40.800 -0.020 0.000 0.911 384 D HN 0.213 nan 8.370 nan 0.000 0.528 385 L N -0.768 120.371 121.223 -0.141 0.000 2.235 385 L HA 0.497 4.837 4.340 -0.001 0.000 0.260 385 L C -2.313 174.417 176.870 -0.233 0.000 1.025 385 L CA -2.495 52.171 54.840 -0.290 0.000 0.836 385 L CB 1.294 43.168 42.059 -0.308 0.000 1.395 385 L HN -0.358 nan 8.230 nan 0.000 0.443 386 P HA 0.009 nan 4.420 nan 0.000 0.271 386 P C -0.549 176.602 177.300 -0.249 0.000 1.233 386 P CA -0.256 62.717 63.100 -0.212 0.000 0.789 386 P CB 0.592 32.188 31.700 -0.172 0.000 0.951 387 V N 1.323 121.086 119.914 -0.252 0.000 2.901 387 V HA 0.300 4.420 4.120 -0.001 0.000 0.307 387 V C 1.322 177.132 176.094 -0.473 0.000 1.084 387 V CA 1.951 64.088 62.300 -0.273 0.000 1.184 387 V CB -0.178 31.527 31.823 -0.196 0.000 0.941 387 V HN 0.958 nan 8.190 nan 0.000 0.493 388 G N 4.758 113.303 108.800 -0.426 0.000 2.218 388 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 388 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 388 G C 0.114 174.718 174.900 -0.494 0.000 0.994 388 G CA 0.358 45.145 45.100 -0.521 0.000 0.637 388 G HN 0.789 nan 8.290 nan 0.000 0.505 389 F N 2.534 122.356 119.950 -0.213 0.000 2.639 389 F HA 0.514 5.040 4.527 -0.000 0.000 0.302 389 F C 1.863 177.528 175.800 -0.224 0.000 1.097 389 F CA -0.581 57.296 58.000 -0.206 0.000 1.294 389 F CB 0.151 39.015 39.000 -0.227 0.000 1.027 389 F HN 0.323 nan 8.300 nan 0.000 0.550 390 G N -0.364 108.353 108.800 -0.138 0.000 2.653 390 G HA2 0.454 4.413 3.960 -0.001 0.000 0.265 390 G HA3 0.454 4.413 3.960 -0.001 0.000 0.265 390 G C 0.673 175.277 174.900 -0.493 0.000 1.237 390 G CA 0.359 45.275 45.100 -0.306 0.000 0.946 390 G HN 0.641 nan 8.290 nan 0.000 0.522 391 G N -1.377 106.827 108.800 -0.992 0.000 2.516 391 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.220 391 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.220 391 G C -0.219 174.049 174.900 -1.054 0.000 1.165 391 G CA -0.152 43.888 45.100 -1.766 0.000 1.013 391 G HN 0.813 nan 8.290 nan 0.000 0.590 392 W N 2.264 123.394 121.300 -0.284 0.000 2.216 392 W HA 0.578 5.237 4.660 -0.001 0.000 0.326 392 W C 0.467 176.950 176.519 -0.060 0.000 1.319 392 W CA -0.343 56.989 57.345 -0.021 0.000 1.213 392 W CB 0.827 30.340 29.460 0.087 0.000 1.171 392 W HN 0.338 nan 8.180 nan 0.000 0.557 393 Q N 2.849 122.819 119.800 0.283 0.000 2.333 393 Q HA 0.496 4.835 4.340 -0.001 0.000 0.268 393 Q C -0.272 175.894 176.000 0.277 0.000 1.007 393 Q CA -0.754 55.168 55.803 0.199 0.000 0.810 393 Q CB 1.655 30.472 28.738 0.133 0.000 1.264 393 Q HN 0.548 nan 8.270 nan 0.000 0.452 394 A N 2.421 125.404 122.820 0.270 0.000 2.450 394 A HA 0.496 4.816 4.320 -0.001 0.000 0.255 394 A C -0.198 177.518 177.584 0.221 0.000 1.096 394 A CA -0.290 51.948 52.037 0.335 0.000 0.778 394 A CB 0.407 19.615 19.000 0.346 0.000 1.031 394 A HN 0.444 nan 8.150 nan 0.000 0.494 395 V N 3.723 123.801 119.914 0.272 0.000 2.447 395 V HA 0.286 4.405 4.120 -0.001 0.000 0.292 395 V C -0.959 175.236 176.094 0.169 0.000 1.021 395 V CA -0.641 61.776 62.300 0.195 0.000 0.850 395 V CB 1.713 33.735 31.823 0.331 0.000 1.005 395 V HN 0.923 nan 8.190 nan 0.000 0.426 396 D N 3.005 123.414 120.400 0.015 0.000 2.460 396 D HA 0.256 4.896 4.640 -0.001 0.000 0.232 396 D C 1.161 177.462 176.300 0.001 0.000 1.079 396 D CA -0.059 53.970 54.000 0.049 0.000 0.864 396 D CB 1.922 42.687 40.800 -0.058 0.000 1.048 396 D HN 0.539 nan 8.370 nan 0.000 0.523 397 S N 1.539 117.220 115.700 -0.033 0.000 2.603 397 S HA -0.005 4.465 4.470 -0.001 0.000 0.220 397 S C 0.726 175.270 174.600 -0.093 0.000 0.967 397 S CA -0.131 57.958 58.200 -0.184 0.000 0.920 397 S CB -0.261 62.722 63.200 -0.362 0.000 0.773 397 S HN 0.339 nan 8.310 nan 0.000 0.529 398 T N 5.179 119.846 114.554 0.188 0.000 2.737 398 T HA 0.370 4.719 4.350 -0.001 0.000 0.296 398 T C -2.618 172.233 174.700 0.251 0.000 0.922 398 T CA -1.101 61.196 62.100 0.328 0.000 1.079 398 T CB 0.912 70.144 68.868 0.606 0.000 0.892 398 T HN 0.218 nan 8.240 nan 0.000 0.514 399 P HA 0.161 nan 4.420 nan 0.000 0.269 399 P C -0.320 176.975 177.300 -0.008 0.000 1.215 399 P CA -0.299 62.809 63.100 0.013 0.000 0.780 399 P CB 0.466 32.121 31.700 -0.075 0.000 0.898 400 Q N -0.760 118.932 119.800 -0.180 0.000 2.693 400 Q HA 0.523 4.862 4.340 -0.001 0.000 0.306 400 Q C -1.158 174.657 176.000 -0.309 0.000 0.969 400 Q CA -1.091 54.509 55.803 -0.338 0.000 0.757 400 Q CB 0.813 29.146 28.738 -0.675 0.000 1.494 400 Q HN 0.089 nan 8.270 nan 0.000 0.459 401 E N 1.444 121.474 120.200 -0.283 0.000 2.257 401 E HA 0.168 4.518 4.350 -0.001 0.000 0.278 401 E C -0.965 175.360 176.600 -0.459 0.000 1.049 401 E CA 0.196 56.436 56.400 -0.266 0.000 0.876 401 E CB 0.444 30.054 29.700 -0.150 0.000 1.035 401 E HN 0.625 nan 8.360 nan 0.000 0.419 402 N N 1.130 119.509 118.700 -0.536 0.000 3.312 402 N HA 0.177 4.916 4.740 -0.001 0.000 0.361 402 N C 0.435 175.711 175.510 -0.391 0.000 1.476 402 N CA 0.033 52.436 53.050 -1.079 0.000 0.669 402 N CB -0.227 37.660 38.487 -0.999 0.000 1.629 402 N HN 0.239 nan 8.380 nan 0.000 0.612 403 S N -2.177 113.416 115.700 -0.179 0.000 2.489 403 S HA 0.030 4.500 4.470 -0.001 0.000 0.228 403 S C 0.070 174.692 174.600 0.036 0.000 0.995 403 S CA 0.722 58.961 58.200 0.065 0.000 0.934 403 S CB -0.347 62.938 63.200 0.141 0.000 0.771 403 S HN 0.503 nan 8.310 nan 0.000 0.522 404 D N 0.801 121.219 120.400 0.030 0.000 2.388 404 D HA 0.461 5.101 4.640 -0.001 0.000 0.208 404 D C 1.174 177.598 176.300 0.206 0.000 1.035 404 D CA 1.028 55.090 54.000 0.103 0.000 0.875 404 D CB 0.832 41.667 40.800 0.058 0.000 0.984 404 D HN 0.572 nan 8.370 nan 0.000 0.508 405 G N 0.377 109.244 108.800 0.112 0.000 2.291 405 G HA2 0.052 4.012 3.960 -0.001 0.000 0.249 405 G HA3 0.052 4.012 3.960 -0.001 0.000 0.249 405 G C -1.443 173.272 174.900 -0.309 0.000 1.340 405 G CA -0.583 44.471 45.100 -0.077 0.000 1.017 405 G HN 0.016 nan 8.290 nan 0.000 0.470 406 M N 1.533 120.757 119.600 -0.626 0.000 2.435 406 M HA 0.764 5.244 4.480 -0.001 0.000 0.344 406 M C -1.577 174.270 176.300 -0.754 0.000 1.329 406 M CA -0.858 54.122 55.300 -0.533 0.000 1.320 406 M CB -1.111 31.264 32.600 -0.377 0.000 1.309 406 M HN 0.461 nan 8.290 nan 0.000 0.451 407 Y N 1.570 121.771 120.300 -0.164 0.000 2.655 407 Y HA 0.617 5.167 4.550 -0.001 0.000 0.336 407 Y C -0.322 175.475 175.900 -0.170 0.000 1.154 407 Y CA -1.441 56.562 58.100 -0.161 0.000 1.055 407 Y CB 0.955 39.319 38.460 -0.159 0.000 1.295 407 Y HN 0.620 nan 8.280 nan 0.000 0.465 408 R N -0.105 120.412 120.500 0.029 0.000 2.811 408 R HA 0.443 4.782 4.340 -0.001 0.000 0.265 408 R C -1.228 175.035 176.300 -0.062 0.000 1.026 408 R CA -0.205 55.856 56.100 -0.065 0.000 1.142 408 R CB -0.341 29.859 30.300 -0.166 0.000 1.027 408 R HN 0.531 nan 8.270 nan 0.000 0.465 409 C N 1.728 120.991 119.300 -0.061 0.000 2.408 409 C HA 0.938 5.398 4.460 -0.001 0.000 0.321 409 C C 0.409 175.395 174.990 -0.007 0.000 1.245 409 C CA 0.702 59.700 59.018 -0.034 0.000 1.523 409 C CB 0.590 28.312 27.740 -0.029 0.000 2.178 409 C HN 1.153 nan 8.230 nan 0.000 0.488 410 G N 4.737 113.576 108.800 0.064 0.000 2.462 410 G HA2 0.029 3.989 3.960 -0.001 0.000 0.685 410 G HA3 0.029 3.989 3.960 -0.001 0.000 0.685 410 G C -3.415 171.512 174.900 0.046 0.000 1.295 410 G CA -1.001 44.172 45.100 0.123 0.000 0.941 410 G HN 0.469 nan 8.290 nan 0.000 0.554 411 P HA 0.523 nan 4.420 nan 0.000 0.282 411 P C -0.314 177.160 177.300 0.290 0.000 1.262 411 P CA 0.465 63.694 63.100 0.214 0.000 0.773 411 P CB 1.385 33.201 31.700 0.193 0.000 0.879 412 A N 2.797 125.732 122.820 0.192 0.000 2.331 412 A HA 0.471 4.790 4.320 -0.001 0.000 0.320 412 A C 0.329 177.972 177.584 0.100 0.000 1.138 412 A CA -0.689 51.431 52.037 0.139 0.000 0.790 412 A CB 0.785 19.861 19.000 0.127 0.000 1.206 412 A HN 0.463 nan 8.150 nan 0.000 0.470 413 S N 2.093 117.814 115.700 0.034 0.000 2.525 413 S HA 0.153 4.622 4.470 -0.001 0.000 0.285 413 S C 1.263 175.871 174.600 0.013 0.000 1.283 413 S CA -0.236 57.969 58.200 0.009 0.000 1.072 413 S CB 0.201 63.361 63.200 -0.066 0.000 0.867 413 S HN 0.756 nan 8.310 nan 0.000 0.492 414 V N 5.231 125.146 119.914 0.002 0.000 2.427 414 V HA -0.123 3.997 4.120 -0.001 0.000 0.248 414 V C 2.650 178.704 176.094 -0.067 0.000 1.051 414 V CA 2.100 64.310 62.300 -0.150 0.000 1.048 414 V CB -0.980 30.662 31.823 -0.302 0.000 0.666 414 V HN 0.904 nan 8.190 nan 0.000 0.456 415 Q N 0.430 120.266 119.800 0.061 0.000 2.096 415 Q HA -0.170 4.170 4.340 -0.001 0.000 0.204 415 Q C 2.188 178.390 176.000 0.337 0.000 0.982 415 Q CA 2.161 58.097 55.803 0.223 0.000 0.850 415 Q CB -0.538 28.362 28.738 0.270 0.000 0.901 415 Q HN 0.626 nan 8.270 nan 0.000 0.422 416 A N -0.141 122.736 122.820 0.095 0.000 1.898 416 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 416 A C 2.065 179.726 177.584 0.129 0.000 1.181 416 A CA 1.370 53.310 52.037 -0.161 0.000 0.620 416 A CB -0.686 17.944 19.000 -0.617 0.000 0.819 416 A HN 0.461 nan 8.150 nan 0.000 0.442 417 I N -0.412 120.243 120.570 0.141 0.000 2.163 417 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 417 I C 2.541 178.876 176.117 0.363 0.000 1.085 417 I CA 1.946 63.422 61.300 0.292 0.000 1.347 417 I CB -0.213 37.939 38.000 0.253 0.000 1.044 417 I HN 0.358 nan 8.210 nan 0.000 0.408 418 K N 0.216 120.736 120.400 0.199 0.000 2.063 418 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 418 K C 1.866 178.550 176.600 0.139 0.000 1.048 418 K CA 1.819 58.135 56.287 0.048 0.000 0.928 418 K CB -0.092 32.298 32.500 -0.184 0.000 0.713 418 K HN 0.398 nan 8.250 nan 0.000 0.442 419 H N -1.889 117.385 119.070 0.340 0.000 2.548 419 H HA 0.169 4.724 4.556 -0.001 0.000 0.265 419 H C 0.964 176.597 175.328 0.509 0.000 0.969 419 H CA 0.844 57.162 56.048 0.450 0.000 1.155 419 H CB 1.009 30.881 29.762 0.184 0.000 1.394 419 H HN 0.554 nan 8.280 nan 0.000 0.570 420 G N 0.271 109.381 108.800 0.517 0.000 2.176 420 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.253 420 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.253 420 G C 0.038 175.081 174.900 0.238 0.000 0.979 420 G CA -0.032 45.231 45.100 0.273 0.000 0.641 420 G HN 0.608 nan 8.290 nan 0.000 0.530 421 H N 1.027 120.167 119.070 0.116 0.000 3.220 421 H HA 0.277 4.833 4.556 -0.001 0.000 0.225 421 H C 1.735 176.935 175.328 -0.214 0.000 1.869 421 H CA 0.404 56.436 56.048 -0.027 0.000 1.428 421 H CB 0.174 30.019 29.762 0.139 0.000 1.792 421 H HN 0.453 nan 8.280 nan 0.000 0.595 422 V N -1.434 118.396 119.914 -0.140 0.000 3.633 422 V HA -0.087 4.033 4.120 -0.001 0.000 0.283 422 V C 2.082 178.029 176.094 -0.245 0.000 1.305 422 V CA 0.101 62.306 62.300 -0.159 0.000 1.153 422 V CB -1.128 30.582 31.823 -0.189 0.000 0.950 422 V HN 0.661 nan 8.190 nan 0.000 0.432 423 C N -1.381 117.612 119.300 -0.513 0.000 2.432 423 C HA 0.200 4.660 4.460 -0.001 0.000 0.282 423 C C 1.096 175.771 174.990 -0.524 0.000 1.388 423 C CA -0.612 58.044 59.018 -0.602 0.000 1.777 423 C CB -1.839 25.254 27.740 -1.077 0.000 1.882 423 C HN 0.390 nan 8.230 nan 0.000 0.520 424 F N 3.382 123.163 119.950 -0.282 0.000 2.438 424 F HA 0.322 4.849 4.527 -0.001 0.000 0.356 424 F C 1.055 176.679 175.800 -0.294 0.000 1.099 424 F CA -0.935 56.890 58.000 -0.291 0.000 1.185 424 F CB 0.200 38.987 39.000 -0.353 0.000 1.115 424 F HN 0.382 nan 8.300 nan 0.000 0.526 425 Q N 2.162 121.838 119.800 -0.208 0.000 2.428 425 Q HA 0.257 4.597 4.340 -0.001 0.000 0.276 425 Q C -1.652 174.106 176.000 -0.404 0.000 1.059 425 Q CA 0.216 55.700 55.803 -0.532 0.000 0.923 425 Q CB 0.464 28.546 28.738 -1.094 0.000 1.283 425 Q HN 0.471 nan 8.270 nan 0.000 0.447 426 F N 0.505 120.477 119.950 0.037 0.000 2.520 426 F HA 0.245 4.771 4.527 -0.001 0.000 0.322 426 F C -0.199 175.638 175.800 0.062 0.000 1.103 426 F CA -0.836 57.187 58.000 0.037 0.000 0.926 426 F CB 1.700 40.709 39.000 0.015 0.000 1.154 426 F HN 0.751 nan 8.300 nan 0.000 0.453 427 D N 1.093 121.640 120.400 0.245 0.000 2.837 427 D HA -0.235 4.404 4.640 -0.001 0.000 0.230 427 D C 1.281 177.762 176.300 0.302 0.000 1.152 427 D CA 0.854 55.048 54.000 0.323 0.000 0.736 427 D CB -0.932 40.002 40.800 0.223 0.000 1.084 427 D HN 0.660 nan 8.370 nan 0.000 0.429 428 A N -0.302 122.613 122.820 0.159 0.000 1.972 428 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 428 A C -0.156 177.472 177.584 0.073 0.000 1.169 428 A CA 1.278 53.379 52.037 0.107 0.000 0.635 428 A CB -0.672 18.354 19.000 0.044 0.000 0.810 428 A HN 0.278 nan 8.150 nan 0.000 0.446 429 P HA -0.081 nan 4.420 nan 0.000 0.217 429 P C 0.945 178.063 177.300 -0.302 0.000 1.151 429 P CA 0.858 63.797 63.100 -0.268 0.000 0.828 429 P CB -0.174 31.210 31.700 -0.527 0.000 0.788 430 F N -0.847 119.128 119.950 0.042 0.000 2.146 430 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 430 F C 2.337 178.133 175.800 -0.006 0.000 1.096 430 F CA 1.086 59.089 58.000 0.004 0.000 1.275 430 F CB -1.683 37.292 39.000 -0.042 0.000 1.008 430 F HN -0.283 nan 8.300 nan 0.000 0.480 431 V N -0.297 119.700 119.914 0.138 0.000 2.358 431 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 431 V C 2.154 178.299 176.094 0.084 0.000 1.047 431 V CA 1.679 63.975 62.300 -0.007 0.000 1.035 431 V CB -0.912 30.893 31.823 -0.030 0.000 0.658 431 V HN 0.296 nan 8.190 nan 0.000 0.452 432 F N 1.730 121.692 119.950 0.020 0.000 2.065 432 F HA -0.257 4.270 4.527 -0.001 0.000 0.298 432 F C 2.330 178.145 175.800 0.023 0.000 1.112 432 F CA 1.893 59.920 58.000 0.046 0.000 1.212 432 F CB -0.499 38.511 39.000 0.017 0.000 0.975 432 F HN 0.082 nan 8.300 nan 0.000 0.476 433 A N -0.542 122.403 122.820 0.210 0.000 2.019 433 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 433 A C 1.979 179.577 177.584 0.022 0.000 1.164 433 A CA 1.613 53.706 52.037 0.093 0.000 0.644 433 A CB -0.909 18.127 19.000 0.060 0.000 0.805 433 A HN 0.528 nan 8.150 nan 0.000 0.449 434 E N -0.116 120.095 120.200 0.018 0.000 2.160 434 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 434 E C 1.621 178.247 176.600 0.044 0.000 0.991 434 E CA 1.871 58.282 56.400 0.019 0.000 0.810 434 E CB -0.126 29.545 29.700 -0.048 0.000 0.742 434 E HN 0.618 nan 8.360 nan 0.000 0.466 435 V N -3.013 116.896 119.914 -0.008 0.000 3.605 435 V HA 0.327 4.447 4.120 -0.001 0.000 0.284 435 V C 0.846 176.889 176.094 -0.084 0.000 1.386 435 V CA 0.197 62.489 62.300 -0.014 0.000 1.053 435 V CB 0.308 32.119 31.823 -0.020 0.000 0.857 435 V HN 0.084 nan 8.190 nan 0.000 0.436 436 N N 0.691 119.289 118.700 -0.171 0.000 2.200 436 N HA 0.289 5.029 4.740 -0.001 0.000 0.224 436 N C 0.328 175.805 175.510 -0.055 0.000 1.179 436 N CA 0.112 53.043 53.050 -0.198 0.000 0.877 436 N CB 1.057 39.204 38.487 -0.566 0.000 1.072 436 N HN 0.386 nan 8.380 nan 0.000 0.519 437 S N 0.949 116.647 115.700 -0.004 0.000 2.585 437 S HA 0.160 4.630 4.470 -0.001 0.000 0.273 437 S C -0.031 174.591 174.600 0.037 0.000 1.339 437 S CA -0.088 58.129 58.200 0.028 0.000 1.028 437 S CB 0.988 64.208 63.200 0.034 0.000 0.906 437 S HN 0.110 nan 8.310 nan 0.000 0.528 438 D N 1.068 121.484 120.400 0.028 0.000 2.217 438 D HA 0.426 5.066 4.640 -0.001 0.000 0.248 438 D C -0.245 176.042 176.300 -0.022 0.000 1.008 438 D CA -0.393 53.620 54.000 0.021 0.000 0.914 438 D CB 0.791 41.602 40.800 0.019 0.000 1.182 438 D HN 0.271 nan 8.370 nan 0.000 0.451 439 L N 1.486 122.681 121.223 -0.048 0.000 2.312 439 L HA 0.395 4.735 4.340 -0.001 0.000 0.281 439 L C -0.255 176.473 176.870 -0.237 0.000 1.070 439 L CA -0.673 54.053 54.840 -0.190 0.000 0.805 439 L CB 0.819 42.718 42.059 -0.267 0.000 1.174 439 L HN 0.120 nan 8.230 nan 0.000 0.434 440 I N 3.122 123.487 120.570 -0.341 0.000 2.410 440 I HA 0.268 4.438 4.170 -0.001 0.000 0.286 440 I C -0.633 175.223 176.117 -0.434 0.000 1.009 440 I CA -0.576 60.563 61.300 -0.269 0.000 1.111 440 I CB 1.134 39.027 38.000 -0.178 0.000 1.262 440 I HN 0.394 nan 8.210 nan 0.000 0.443 441 Y N 6.373 126.604 120.300 -0.114 0.000 2.341 441 Y HA 0.536 5.086 4.550 -0.000 0.000 0.340 441 Y C 0.430 176.254 175.900 -0.128 0.000 0.997 441 Y CA -0.318 57.702 58.100 -0.133 0.000 1.149 441 Y CB 1.280 39.697 38.460 -0.072 0.000 1.171 441 Y HN 0.350 nan 8.280 nan 0.000 0.494 442 I N 3.220 123.748 120.570 -0.070 0.000 2.447 442 I HA 0.229 4.398 4.170 -0.001 0.000 0.287 442 I C -0.467 175.660 176.117 0.017 0.000 1.023 442 I CA -0.731 60.542 61.300 -0.045 0.000 1.083 442 I CB 1.998 39.912 38.000 -0.144 0.000 1.245 442 I HN 0.515 nan 8.210 nan 0.000 0.434 443 T N 5.277 119.849 114.554 0.030 0.000 2.814 443 T HA 0.368 4.718 4.350 -0.001 0.000 0.297 443 T C 0.274 174.966 174.700 -0.012 0.000 0.956 443 T CA -0.338 61.772 62.100 0.018 0.000 1.123 443 T CB 0.843 69.723 68.868 0.020 0.000 0.902 443 T HN 0.652 nan 8.240 nan 0.000 0.528 444 A N 4.711 127.494 122.820 -0.061 0.000 2.253 444 A HA 0.454 4.774 4.320 -0.001 0.000 0.316 444 A C 0.352 177.937 177.584 0.001 0.000 1.327 444 A CA -0.764 51.194 52.037 -0.132 0.000 0.917 444 A CB 0.244 19.071 19.000 -0.289 0.000 1.162 444 A HN 0.779 nan 8.150 nan 0.000 0.535 445 K N 1.524 121.970 120.400 0.077 0.000 2.098 445 K HA 0.219 4.538 4.320 -0.001 0.000 0.257 445 K C 0.539 177.157 176.600 0.030 0.000 0.999 445 K CA -0.529 55.784 56.287 0.044 0.000 0.924 445 K CB 1.301 33.834 32.500 0.054 0.000 1.028 445 K HN 0.637 nan 8.250 nan 0.000 0.466 446 K N 1.039 121.445 120.400 0.009 0.000 2.281 446 K HA -0.169 4.151 4.320 -0.001 0.000 0.203 446 K C 0.995 177.597 176.600 0.004 0.000 1.046 446 K CA 1.717 58.004 56.287 0.001 0.000 0.938 446 K CB -0.055 32.441 32.500 -0.006 0.000 0.737 446 K HN 0.601 nan 8.250 nan 0.000 0.458 447 D N -0.866 119.540 120.400 0.010 0.000 2.349 447 D HA -0.003 4.637 4.640 -0.001 0.000 0.224 447 D C 1.125 177.427 176.300 0.002 0.000 1.029 447 D CA 0.838 54.840 54.000 0.004 0.000 0.879 447 D CB 0.258 41.060 40.800 0.004 0.000 0.906 447 D HN 0.260 nan 8.370 nan 0.000 0.528 448 G N -0.222 108.590 108.800 0.019 0.000 2.195 448 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.224 448 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.224 448 G C 0.509 175.398 174.900 -0.019 0.000 0.990 448 G CA 0.334 45.434 45.100 0.000 0.000 0.639 448 G HN 0.780 nan 8.290 nan 0.000 0.514 449 T N -1.318 113.254 114.554 0.031 0.000 2.874 449 T HA 0.669 5.018 4.350 -0.001 0.000 0.281 449 T C -0.332 174.521 174.700 0.254 0.000 0.994 449 T CA -0.305 61.814 62.100 0.032 0.000 1.015 449 T CB 2.029 70.916 68.868 0.033 0.000 1.028 449 T HN 0.299 nan 8.240 nan 0.000 0.523 450 H N -0.502 118.588 119.070 0.033 0.000 2.600 450 H HA 0.649 5.205 4.556 -0.001 0.000 0.357 450 H C -0.643 174.721 175.328 0.060 0.000 1.106 450 H CA -1.067 55.020 56.048 0.066 0.000 1.193 450 H CB 1.611 31.436 29.762 0.106 0.000 1.594 450 H HN 0.733 nan 8.280 nan 0.000 0.526 451 V N 2.039 122.048 119.914 0.160 0.000 2.577 451 V HA 0.484 4.603 4.120 -0.001 0.000 0.303 451 V C -0.850 175.289 176.094 0.074 0.000 1.042 451 V CA -0.766 61.594 62.300 0.099 0.000 0.872 451 V CB 1.479 33.342 31.823 0.067 0.000 0.998 451 V HN 0.483 nan 8.190 nan 0.000 0.423 452 V N 6.751 126.704 119.914 0.066 0.000 2.479 452 V HA 0.281 4.400 4.120 -0.001 0.000 0.281 452 V C 1.135 177.256 176.094 0.045 0.000 1.031 452 V CA 0.222 62.551 62.300 0.048 0.000 1.038 452 V CB 0.542 32.390 31.823 0.042 0.000 0.981 452 V HN 1.044 nan 8.190 nan 0.000 0.478 453 E N 3.704 123.937 120.200 0.054 0.000 2.132 453 E HA 0.115 4.464 4.350 -0.001 0.000 0.193 453 E C 0.215 176.846 176.600 0.053 0.000 0.951 453 E CA 0.660 57.088 56.400 0.047 0.000 0.843 453 E CB 0.367 30.091 29.700 0.040 0.000 0.807 453 E HN 0.943 nan 8.360 nan 0.000 0.467 454 N N -1.042 117.719 118.700 0.102 0.000 3.227 454 N HA 0.206 4.946 4.740 -0.001 0.000 0.241 454 N C -1.377 174.241 175.510 0.180 0.000 1.480 454 N CA -0.776 52.335 53.050 0.102 0.000 0.886 454 N CB 1.916 40.437 38.487 0.056 0.000 1.406 454 N HN -0.104 nan 8.380 nan 0.000 0.514 455 V N -1.177 118.817 119.914 0.134 0.000 2.588 455 V HA 0.631 4.751 4.120 -0.001 0.000 0.304 455 V C -1.361 174.814 176.094 0.135 0.000 1.042 455 V CA -0.568 61.803 62.300 0.118 0.000 0.877 455 V CB 1.604 33.461 31.823 0.058 0.000 0.996 455 V HN 0.836 nan 8.190 nan 0.000 0.425 456 D N 4.993 125.483 120.400 0.149 0.000 2.412 456 D HA 0.574 5.214 4.640 -0.001 0.000 0.224 456 D C 0.561 176.919 176.300 0.096 0.000 1.093 456 D CA 0.187 54.270 54.000 0.138 0.000 0.850 456 D CB 1.857 42.770 40.800 0.188 0.000 1.046 456 D HN 0.829 nan 8.370 nan 0.000 0.507 457 A N 2.764 125.636 122.820 0.088 0.000 2.275 457 A HA 0.050 4.370 4.320 -0.001 0.000 0.212 457 A C 1.535 179.172 177.584 0.089 0.000 1.201 457 A CA 0.691 52.774 52.037 0.077 0.000 0.843 457 A CB -0.060 18.980 19.000 0.066 0.000 0.873 457 A HN 0.573 nan 8.150 nan 0.000 0.492 458 T N -5.058 109.563 114.554 0.111 0.000 3.023 458 T HA 0.102 4.451 4.350 -0.001 0.000 0.253 458 T C 1.473 176.260 174.700 0.145 0.000 1.038 458 T CA 0.764 62.930 62.100 0.110 0.000 0.962 458 T CB -0.389 68.537 68.868 0.097 0.000 1.018 458 T HN 0.467 nan 8.240 nan 0.000 0.521 459 H N 1.237 120.335 119.070 0.047 0.000 2.326 459 H HA 0.343 4.899 4.556 -0.001 0.000 0.301 459 H C 0.479 175.874 175.328 0.113 0.000 1.081 459 H CA 0.898 56.958 56.048 0.019 0.000 1.334 459 H CB -0.283 29.419 29.762 -0.100 0.000 1.385 459 H HN 0.349 nan 8.280 nan 0.000 0.504 460 I N 0.321 120.985 120.570 0.157 0.000 2.575 460 I HA 0.130 4.300 4.170 -0.001 0.000 0.285 460 I C 1.119 177.310 176.117 0.123 0.000 1.085 460 I CA 0.571 61.963 61.300 0.153 0.000 1.403 460 I CB 1.186 39.270 38.000 0.139 0.000 1.409 460 I HN 0.638 nan 8.210 nan 0.000 0.557 461 G N 4.835 113.720 108.800 0.141 0.000 2.272 461 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.280 461 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.280 461 G C 0.875 175.820 174.900 0.075 0.000 1.067 461 G CA 0.586 45.735 45.100 0.082 0.000 0.902 461 G HN 0.822 nan 8.290 nan 0.000 0.500 462 K N -1.273 119.196 120.400 0.115 0.000 2.228 462 K HA 0.357 4.676 4.320 -0.001 0.000 0.202 462 K C 0.677 177.304 176.600 0.044 0.000 1.051 462 K CA 0.777 57.119 56.287 0.093 0.000 0.960 462 K CB 0.067 32.660 32.500 0.156 0.000 0.743 462 K HN 0.610 nan 8.250 nan 0.000 0.458 463 L N 1.067 122.319 121.223 0.048 0.000 2.588 463 L HA 0.436 4.776 4.340 -0.001 0.000 0.263 463 L C -1.876 175.016 176.870 0.037 0.000 0.935 463 L CA -0.484 54.371 54.840 0.024 0.000 0.891 463 L CB 1.956 44.004 42.059 -0.018 0.000 1.318 463 L HN -0.036 nan 8.230 nan 0.000 0.409 464 I N 5.211 125.748 120.570 -0.056 0.000 2.465 464 I HA 0.696 4.866 4.170 -0.001 0.000 0.291 464 I C -0.865 175.143 176.117 -0.181 0.000 1.014 464 I CA -0.939 60.257 61.300 -0.173 0.000 1.093 464 I CB 2.034 39.882 38.000 -0.252 0.000 1.267 464 I HN 0.321 nan 8.210 nan 0.000 0.431 465 V N 4.290 124.049 119.914 -0.260 0.000 3.078 465 V HA 0.685 4.805 4.120 -0.001 0.000 0.311 465 V C -0.505 175.354 176.094 -0.391 0.000 1.138 465 V CA -0.228 61.866 62.300 -0.343 0.000 1.007 465 V CB 2.813 34.418 31.823 -0.363 0.000 1.045 465 V HN 0.838 nan 8.190 nan 0.000 0.432 466 T N 2.278 116.605 114.554 -0.378 0.000 2.816 466 T HA 0.391 4.741 4.350 -0.001 0.000 0.299 466 T C -0.926 173.723 174.700 -0.085 0.000 1.230 466 T CA -0.626 61.349 62.100 -0.209 0.000 1.007 466 T CB 1.687 70.447 68.868 -0.182 0.000 1.289 466 T HN 0.781 nan 8.240 nan 0.000 0.508 467 K N 2.251 122.791 120.400 0.234 0.000 2.489 467 K HA 0.115 4.434 4.320 -0.001 0.000 0.278 467 K C 0.656 177.341 176.600 0.142 0.000 1.000 467 K CA -0.176 56.303 56.287 0.319 0.000 1.012 467 K CB 0.380 33.050 32.500 0.282 0.000 0.903 467 K HN 0.690 nan 8.250 nan 0.000 0.485 468 Q N 3.240 123.106 119.800 0.111 0.000 2.417 468 Q HA 0.019 4.358 4.340 -0.001 0.000 0.241 468 Q C 0.783 176.791 176.000 0.013 0.000 1.008 468 Q CA -0.230 55.600 55.803 0.046 0.000 0.901 468 Q CB 0.746 29.502 28.738 0.030 0.000 1.259 468 Q HN 0.674 nan 8.270 nan 0.000 0.489 469 I N 1.506 122.057 120.570 -0.032 0.000 2.163 469 I HA -0.145 4.025 4.170 -0.001 0.000 0.240 469 I C 1.895 177.974 176.117 -0.062 0.000 1.081 469 I CA 1.611 62.846 61.300 -0.109 0.000 1.353 469 I CB -0.412 37.498 38.000 -0.150 0.000 1.054 469 I HN 0.988 nan 8.210 nan 0.000 0.407 470 G N -0.000 108.781 108.800 -0.032 0.000 3.124 470 G HA2 0.409 4.368 3.960 -0.001 0.000 0.212 470 G HA3 0.409 4.368 3.960 -0.001 0.000 0.212 470 G C 0.403 175.309 174.900 0.009 0.000 1.181 470 G CA 0.630 45.720 45.100 -0.016 0.000 0.803 470 G HN 0.567 nan 8.290 nan 0.000 0.529 471 G N -0.709 108.104 108.800 0.021 0.000 2.321 471 G HA2 0.309 4.269 3.960 -0.001 0.000 0.296 471 G HA3 0.309 4.269 3.960 -0.001 0.000 0.296 471 G C -0.936 173.995 174.900 0.052 0.000 1.287 471 G CA -0.418 44.706 45.100 0.041 0.000 0.846 471 G HN -0.108 nan 8.290 nan 0.000 0.508 472 D N 0.024 120.457 120.400 0.054 0.000 2.339 472 D HA 0.256 4.895 4.640 -0.001 0.000 0.217 472 D C 1.500 177.871 176.300 0.118 0.000 1.050 472 D CA 0.774 54.807 54.000 0.055 0.000 0.856 472 D CB 0.289 41.095 40.800 0.009 0.000 0.922 472 D HN 0.595 nan 8.370 nan 0.000 0.518 473 G N 0.688 109.559 108.800 0.119 0.000 2.616 473 G HA2 0.438 4.398 3.960 -0.001 0.000 0.268 473 G HA3 0.438 4.398 3.960 -0.001 0.000 0.268 473 G C 0.251 175.268 174.900 0.195 0.000 1.213 473 G CA -0.602 44.581 45.100 0.138 0.000 0.926 473 G HN 0.131 nan 8.290 nan 0.000 0.523 474 M N -0.445 119.190 119.600 0.058 0.000 2.363 474 M HA 0.692 5.172 4.480 -0.001 0.000 0.343 474 M C -0.384 175.796 176.300 -0.201 0.000 1.165 474 M CA -0.593 54.552 55.300 -0.259 0.000 1.046 474 M CB 2.036 34.261 32.600 -0.626 0.000 1.648 474 M HN 0.373 nan 8.290 nan 0.000 0.452 475 M N 2.755 122.215 119.600 -0.233 0.000 2.268 475 M HA 0.306 4.785 4.480 -0.001 0.000 0.344 475 M C -1.175 175.015 176.300 -0.184 0.000 1.106 475 M CA -0.437 54.775 55.300 -0.146 0.000 1.010 475 M CB 1.358 33.911 32.600 -0.080 0.000 1.649 475 M HN 0.825 nan 8.290 nan 0.000 0.443 476 D N 5.514 125.834 120.400 -0.134 0.000 2.339 476 D HA 0.219 4.858 4.640 -0.001 0.000 0.241 476 D C 0.194 176.451 176.300 -0.071 0.000 1.183 476 D CA -0.132 53.799 54.000 -0.116 0.000 0.859 476 D CB 0.409 41.156 40.800 -0.089 0.000 1.067 476 D HN 0.669 nan 8.370 nan 0.000 0.484 477 I N 0.548 121.076 120.570 -0.068 0.000 3.856 477 I HA 0.168 4.338 4.170 -0.001 0.000 0.330 477 I C 1.083 177.227 176.117 0.044 0.000 1.546 477 I CA -0.565 60.727 61.300 -0.013 0.000 1.132 477 I CB 0.338 38.320 38.000 -0.030 0.000 1.157 477 I HN 0.007 nan 8.210 nan 0.000 0.440 478 T N 1.558 116.119 114.554 0.012 0.000 2.737 478 T HA -0.225 4.124 4.350 -0.001 0.000 0.269 478 T C 1.666 176.403 174.700 0.061 0.000 1.040 478 T CA 2.266 64.387 62.100 0.036 0.000 1.142 478 T CB -0.463 68.408 68.868 0.004 0.000 0.861 478 T HN 0.707 nan 8.240 nan 0.000 0.456 479 D N 1.911 122.326 120.400 0.025 0.000 2.218 479 D HA -0.153 4.486 4.640 -0.001 0.000 0.204 479 D C 2.053 178.324 176.300 -0.050 0.000 0.976 479 D CA 1.695 55.687 54.000 -0.013 0.000 0.853 479 D CB -0.695 40.102 40.800 -0.005 0.000 0.939 479 D HN 0.568 nan 8.370 nan 0.000 0.481 480 T N -3.011 111.551 114.554 0.014 0.000 3.055 480 T HA -0.097 4.252 4.350 -0.001 0.000 0.265 480 T C 1.606 176.231 174.700 -0.125 0.000 1.111 480 T CA 0.498 62.576 62.100 -0.037 0.000 1.118 480 T CB -0.510 68.357 68.868 -0.001 0.000 0.909 480 T HN 0.159 nan 8.240 nan 0.000 0.501 481 Y N 1.214 121.484 120.300 -0.050 0.000 2.524 481 Y HA 0.476 5.025 4.550 -0.001 0.000 0.270 481 Y C 0.793 176.626 175.900 -0.112 0.000 1.094 481 Y CA -0.227 57.856 58.100 -0.029 0.000 1.276 481 Y CB 0.679 39.159 38.460 0.033 0.000 1.130 481 Y HN 0.115 nan 8.280 nan 0.000 0.536 482 K N -0.124 120.264 120.400 -0.020 0.000 2.535 482 K HA 0.297 4.616 4.320 -0.001 0.000 0.250 482 K C -1.462 175.062 176.600 -0.126 0.000 0.948 482 K CA -0.656 55.599 56.287 -0.053 0.000 0.796 482 K CB 1.696 34.208 32.500 0.020 0.000 1.216 482 K HN -0.238 nan 8.250 nan 0.000 0.432 483 F N 1.511 121.470 119.950 0.016 0.000 2.485 483 F HA 0.033 4.560 4.527 -0.001 0.000 0.327 483 F C 1.430 177.244 175.800 0.024 0.000 1.203 483 F CA 0.115 58.121 58.000 0.010 0.000 1.295 483 F CB 0.469 39.468 39.000 -0.003 0.000 1.191 483 F HN 0.290 nan 8.300 nan 0.000 0.588 484 Q N 1.593 121.547 119.800 0.256 0.000 2.368 484 Q HA -0.099 4.241 4.340 -0.001 0.000 0.331 484 Q C -0.123 175.952 176.000 0.125 0.000 1.086 484 Q CA 0.133 56.025 55.803 0.149 0.000 1.031 484 Q CB 0.295 29.108 28.738 0.125 0.000 1.125 484 Q HN 0.593 nan 8.270 nan 0.000 0.389 485 E N 0.582 120.837 120.200 0.093 0.000 2.398 485 E HA 0.296 4.646 4.350 -0.001 0.000 0.263 485 E C 0.627 177.269 176.600 0.071 0.000 1.046 485 E CA 0.347 56.795 56.400 0.081 0.000 0.908 485 E CB 0.343 30.084 29.700 0.069 0.000 0.963 485 E HN 0.714 nan 8.360 nan 0.000 0.431 486 G N 1.958 110.797 108.800 0.066 0.000 2.221 486 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.265 486 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.265 486 G C -0.201 174.728 174.900 0.048 0.000 1.041 486 G CA 0.498 45.630 45.100 0.054 0.000 0.807 486 G HN 0.489 nan 8.290 nan 0.000 0.502 487 Q N -1.599 118.231 119.800 0.050 0.000 3.022 487 Q HA 0.455 4.795 4.340 -0.001 0.000 0.313 487 Q C 0.965 176.972 176.000 0.012 0.000 1.018 487 Q CA -0.831 54.991 55.803 0.031 0.000 0.799 487 Q CB 0.618 29.376 28.738 0.034 0.000 1.498 487 Q HN 0.098 nan 8.270 nan 0.000 0.494 488 E N 0.880 121.069 120.200 -0.019 0.000 2.076 488 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 488 E C 1.325 177.866 176.600 -0.098 0.000 0.979 488 E CA 1.095 57.471 56.400 -0.041 0.000 0.807 488 E CB 0.414 30.085 29.700 -0.047 0.000 0.761 488 E HN 0.542 nan 8.360 nan 0.000 0.454 489 E N 0.717 120.788 120.200 -0.215 0.000 2.085 489 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 489 E C 2.061 178.496 176.600 -0.275 0.000 0.994 489 E CA 1.146 57.236 56.400 -0.517 0.000 0.801 489 E CB -0.106 28.881 29.700 -1.189 0.000 0.743 489 E HN 0.302 nan 8.360 nan 0.000 0.453 490 E N 1.202 121.394 120.200 -0.014 0.000 2.058 490 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 490 E C 2.266 178.939 176.600 0.122 0.000 0.997 490 E CA 0.929 57.422 56.400 0.154 0.000 0.801 490 E CB 0.030 29.821 29.700 0.151 0.000 0.746 490 E HN 0.066 nan 8.360 nan 0.000 0.450 491 R N 0.232 120.768 120.500 0.061 0.000 2.081 491 R HA -0.170 4.170 4.340 -0.001 0.000 0.235 491 R C 2.602 178.938 176.300 0.060 0.000 1.131 491 R CA 1.299 57.434 56.100 0.059 0.000 0.960 491 R CB -0.335 29.984 30.300 0.030 0.000 0.856 491 R HN 0.252 nan 8.270 nan 0.000 0.436 492 L N 0.733 121.977 121.223 0.035 0.000 2.046 492 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 492 L C 2.260 179.199 176.870 0.115 0.000 1.077 492 L CA 2.168 57.038 54.840 0.050 0.000 0.747 492 L CB -0.748 41.322 42.059 0.019 0.000 0.896 492 L HN 0.207 nan 8.230 nan 0.000 0.432 493 A N -0.615 122.304 122.820 0.165 0.000 1.933 493 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 493 A C 2.355 180.095 177.584 0.260 0.000 1.175 493 A CA 1.904 54.116 52.037 0.291 0.000 0.628 493 A CB -0.921 18.333 19.000 0.422 0.000 0.814 493 A HN 0.526 nan 8.150 nan 0.000 0.444 494 L N -0.448 120.925 121.223 0.250 0.000 1.994 494 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 494 L C 2.600 179.503 176.870 0.054 0.000 1.071 494 L CA 2.504 57.471 54.840 0.211 0.000 0.745 494 L CB -0.571 41.604 42.059 0.194 0.000 0.892 494 L HN 0.708 nan 8.230 nan 0.000 0.431 495 E N -0.691 119.535 120.200 0.042 0.000 2.070 495 E HA -0.268 4.081 4.350 -0.001 0.000 0.197 495 E C 1.787 178.348 176.600 -0.065 0.000 1.004 495 E CA 2.371 58.762 56.400 -0.015 0.000 0.805 495 E CB -0.016 29.683 29.700 -0.001 0.000 0.744 495 E HN 0.500 nan 8.360 nan 0.000 0.451 496 T N 0.531 115.073 114.554 -0.019 0.000 2.788 496 T HA -0.090 4.259 4.350 -0.001 0.000 0.268 496 T C 1.877 176.497 174.700 -0.132 0.000 1.044 496 T CA 1.227 63.296 62.100 -0.051 0.000 1.139 496 T CB -0.301 68.612 68.868 0.075 0.000 0.867 496 T HN 0.372 nan 8.240 nan 0.000 0.454 497 A N 1.477 124.189 122.820 -0.179 0.000 1.902 497 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 497 A C 2.093 179.485 177.584 -0.321 0.000 1.181 497 A CA 1.050 52.862 52.037 -0.375 0.000 0.623 497 A CB -0.727 17.709 19.000 -0.941 0.000 0.818 497 A HN 0.336 nan 8.150 nan 0.000 0.443 498 L N -0.583 120.487 121.223 -0.255 0.000 2.353 498 L HA -0.015 4.325 4.340 -0.001 0.000 0.220 498 L C 2.329 179.027 176.870 -0.287 0.000 1.133 498 L CA 1.404 56.116 54.840 -0.215 0.000 0.798 498 L CB -0.907 41.068 42.059 -0.139 0.000 0.922 498 L HN 0.443 nan 8.230 nan 0.000 0.445 499 M N -2.686 116.643 119.600 -0.452 0.000 2.506 499 M HA -0.075 4.404 4.480 -0.001 0.000 0.260 499 M C 0.106 175.899 176.300 -0.845 0.000 1.104 499 M CA 0.864 55.740 55.300 -0.706 0.000 1.112 499 M CB 0.120 32.087 32.600 -1.054 0.000 1.401 499 M HN 0.059 nan 8.290 nan 0.000 0.473 500 Y N -0.269 119.903 120.300 -0.213 0.000 2.669 500 Y HA 0.490 5.039 4.550 -0.001 0.000 0.302 500 Y C 1.080 176.844 175.900 -0.226 0.000 1.000 500 Y CA -0.399 57.561 58.100 -0.232 0.000 1.222 500 Y CB 0.149 38.430 38.460 -0.297 0.000 1.209 500 Y HN 0.324 nan 8.280 nan 0.000 0.571 501 G N -0.309 108.420 108.800 -0.119 0.000 2.213 501 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.226 501 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.226 501 G C 0.522 175.299 174.900 -0.205 0.000 0.992 501 G CA -0.261 44.756 45.100 -0.139 0.000 0.632 501 G HN 0.685 nan 8.290 nan 0.000 0.511 502 A N 0.152 122.832 122.820 -0.234 0.000 2.386 502 A HA 0.710 5.030 4.320 -0.001 0.000 0.248 502 A C 0.329 177.828 177.584 -0.143 0.000 1.082 502 A CA 0.642 52.547 52.037 -0.219 0.000 0.789 502 A CB 0.437 19.271 19.000 -0.277 0.000 1.025 502 A HN 0.497 nan 8.150 nan 0.000 0.490 503 K N 0.409 120.754 120.400 -0.091 0.000 2.468 503 K HA 0.527 4.846 4.320 -0.001 0.000 0.252 503 K C -1.039 175.547 176.600 -0.023 0.000 0.932 503 K CA -0.525 55.726 56.287 -0.060 0.000 0.794 503 K CB 2.306 34.774 32.500 -0.053 0.000 1.241 503 K HN 0.607 nan 8.250 nan 0.000 0.428 504 K N 3.427 123.816 120.400 -0.018 0.000 3.088 504 K HA 0.170 4.490 4.320 -0.001 0.000 0.193 504 K C -2.066 174.531 176.600 -0.004 0.000 1.176 504 K CA -1.140 55.148 56.287 0.001 0.000 0.907 504 K CB 0.771 33.282 32.500 0.018 0.000 1.139 504 K HN 0.282 nan 8.250 nan 0.000 0.597 505 P HA -0.111 nan 4.420 nan 0.000 0.221 505 P C 0.300 177.601 177.300 0.002 0.000 1.150 505 P CA 0.147 63.244 63.100 -0.005 0.000 0.800 505 P CB 0.177 31.876 31.700 -0.002 0.000 0.787 506 L N 1.747 122.974 121.223 0.007 0.000 2.315 506 L HA 0.253 4.592 4.340 -0.001 0.000 0.283 506 L C 0.083 176.960 176.870 0.011 0.000 1.089 506 L CA -0.890 53.956 54.840 0.012 0.000 0.833 506 L CB -0.796 41.270 42.059 0.013 0.000 1.170 506 L HN -0.087 nan 8.230 nan 0.000 0.442 507 N N 2.927 121.634 118.700 0.011 0.000 2.483 507 N HA 0.035 4.774 4.740 -0.001 0.000 0.264 507 N C -0.752 174.768 175.510 0.016 0.000 1.197 507 N CA 0.312 53.369 53.050 0.012 0.000 0.927 507 N CB 0.694 39.186 38.487 0.009 0.000 1.065 507 N HN 0.742 nan 8.380 nan 0.000 0.461 508 T N 1.268 115.833 114.554 0.018 0.000 3.336 508 T HA 0.342 4.691 4.350 -0.001 0.000 0.384 508 T C 1.557 176.270 174.700 0.022 0.000 1.704 508 T CA -0.362 61.752 62.100 0.022 0.000 1.334 508 T CB 0.679 69.561 68.868 0.025 0.000 1.131 508 T HN 0.548 nan 8.240 nan 0.000 0.684 509 S N 2.310 118.022 115.700 0.020 0.000 2.392 509 S HA 0.191 4.661 4.470 -0.001 0.000 0.225 509 S C 1.672 176.285 174.600 0.021 0.000 1.041 509 S CA 3.120 61.331 58.200 0.019 0.000 1.100 509 S CB -0.914 62.297 63.200 0.018 0.000 1.029 509 S HN 1.852 nan 8.310 nan 0.000 0.424 510 R N -1.852 118.662 120.500 0.023 0.000 4.144 510 R HA 0.324 4.664 4.340 -0.001 0.000 0.299 510 R C 1.153 177.465 176.300 0.021 0.000 0.241 510 R CA 1.466 57.581 56.100 0.025 0.000 1.010 510 R CB -2.390 27.927 30.300 0.028 0.000 1.134 510 R HN 2.337 nan 8.270 nan 0.000 0.493 518 V N 2.604 122.499 119.914 -0.032 0.000 2.604 518 V HA 0.737 4.856 4.120 -0.001 0.000 0.305 518 V C -1.564 174.522 176.094 -0.013 0.000 1.043 518 V CA -0.193 62.095 62.300 -0.019 0.000 0.888 518 V CB 1.467 33.276 31.823 -0.024 0.000 0.995 518 V HN 0.564 nan 8.190 nan 0.000 0.429 519 D N 5.573 125.974 120.400 0.000 0.000 2.533 519 D HA 0.666 5.306 4.640 -0.001 0.000 0.247 519 D C -0.649 175.657 176.300 0.011 0.000 1.056 519 D CA -0.869 53.133 54.000 0.003 0.000 1.054 519 D CB 1.904 42.701 40.800 -0.005 0.000 1.400 519 D HN 0.715 nan 8.370 nan 0.000 0.533 520 M N 1.066 120.651 119.600 -0.026 0.000 2.421 520 M HA 0.463 4.943 4.480 -0.001 0.000 0.287 520 M C -2.251 174.016 176.300 -0.054 0.000 1.183 520 M CA -0.373 54.853 55.300 -0.124 0.000 0.916 520 M CB 2.184 34.645 32.600 -0.232 0.000 1.701 520 M HN 0.739 nan 8.290 nan 0.000 0.470 521 D N 2.689 123.061 120.400 -0.047 0.000 2.610 521 D HA 0.796 5.436 4.640 -0.001 0.000 0.271 521 D C -1.714 174.663 176.300 0.129 0.000 1.174 521 D CA 0.198 54.224 54.000 0.045 0.000 0.949 521 D CB 1.983 42.793 40.800 0.017 0.000 1.430 521 D HN 0.476 nan 8.370 nan 0.000 0.467 522 F N -0.869 119.037 119.950 -0.074 0.000 2.685 522 F HA 0.730 5.256 4.527 -0.001 0.000 0.315 522 F C -1.233 174.538 175.800 -0.048 0.000 1.126 522 F CA -0.926 57.030 58.000 -0.072 0.000 0.950 522 F CB 1.416 40.369 39.000 -0.079 0.000 1.360 522 F HN 0.202 nan 8.300 nan 0.000 0.469 523 E N 1.179 121.375 120.200 -0.006 0.000 2.314 523 E HA 0.686 5.036 4.350 -0.001 0.000 0.272 523 E C -2.213 174.365 176.600 -0.037 0.000 0.884 523 E CA -0.972 55.362 56.400 -0.110 0.000 0.753 523 E CB 2.870 32.541 29.700 -0.049 0.000 1.213 523 E HN 0.678 nan 8.360 nan 0.000 0.432 524 V N 3.336 123.191 119.914 -0.098 0.000 2.487 524 V HA 0.261 4.381 4.120 -0.001 0.000 0.298 524 V C -0.298 175.778 176.094 -0.030 0.000 1.028 524 V CA -0.900 61.361 62.300 -0.064 0.000 0.860 524 V CB 1.594 33.282 31.823 -0.223 0.000 0.991 524 V HN 0.719 nan 8.190 nan 0.000 0.427 525 E N 3.227 123.465 120.200 0.063 0.000 2.413 525 E HA 0.109 4.459 4.350 -0.001 0.000 0.263 525 E C -0.431 176.119 176.600 -0.083 0.000 1.015 525 E CA -0.226 56.194 56.400 0.033 0.000 0.916 525 E CB 0.531 30.311 29.700 0.133 0.000 0.947 525 E HN 0.548 nan 8.360 nan 0.000 0.440 526 N N 0.849 119.491 118.700 -0.097 0.000 2.529 526 N HA 0.357 5.097 4.740 -0.001 0.000 0.278 526 N C -0.839 174.594 175.510 -0.129 0.000 1.146 526 N CA -0.082 52.877 53.050 -0.152 0.000 0.980 526 N CB 1.508 39.929 38.487 -0.111 0.000 1.124 526 N HN 0.497 nan 8.380 nan 0.000 0.458 527 A N 1.038 123.753 122.820 -0.176 0.000 2.475 527 A HA 0.513 4.833 4.320 -0.001 0.000 0.301 527 A C -0.434 177.129 177.584 -0.035 0.000 1.059 527 A CA -0.678 51.319 52.037 -0.067 0.000 0.710 527 A CB 1.084 20.058 19.000 -0.043 0.000 1.288 527 A HN 0.364 nan 8.150 nan 0.000 0.408 528 V N 2.191 122.123 119.914 0.030 0.000 2.686 528 V HA 0.129 4.249 4.120 -0.001 0.000 0.295 528 V C 0.530 176.676 176.094 0.086 0.000 1.055 528 V CA -0.244 62.082 62.300 0.042 0.000 1.050 528 V CB 1.111 32.962 31.823 0.046 0.000 0.984 528 V HN 0.870 nan 8.190 nan 0.000 0.482 529 L N 5.522 126.794 121.223 0.082 0.000 2.667 529 L HA 0.354 4.693 4.340 -0.001 0.000 0.278 529 L C 1.154 178.133 176.870 0.183 0.000 1.217 529 L CA 1.880 56.803 54.840 0.138 0.000 0.935 529 L CB -0.329 41.796 42.059 0.109 0.000 1.193 529 L HN 1.010 nan 8.230 nan 0.000 0.493 530 G N 2.370 111.347 108.800 0.296 0.000 2.176 530 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.232 530 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.232 530 G C 0.304 175.302 174.900 0.163 0.000 0.986 530 G CA 0.133 45.340 45.100 0.179 0.000 0.643 530 G HN 0.600 nan 8.290 nan 0.000 0.522 531 K N 0.932 121.487 120.400 0.258 0.000 2.166 531 K HA 0.543 4.863 4.320 -0.001 0.000 0.245 531 K C -0.254 176.554 176.600 0.346 0.000 0.967 531 K CA -0.835 55.587 56.287 0.224 0.000 0.863 531 K CB 1.017 33.626 32.500 0.181 0.000 1.107 531 K HN 0.113 nan 8.250 nan 0.000 0.436 532 D N 1.203 121.746 120.400 0.239 0.000 2.357 532 D HA 0.347 4.987 4.640 -0.001 0.000 0.242 532 D C 0.094 176.597 176.300 0.339 0.000 1.153 532 D CA 0.280 54.413 54.000 0.221 0.000 0.918 532 D CB 0.252 41.105 40.800 0.088 0.000 1.181 532 D HN 0.321 nan 8.370 nan 0.000 0.435 533 F N -2.413 117.630 119.950 0.155 0.000 2.711 533 F HA 0.564 5.090 4.527 -0.001 0.000 0.313 533 F C -0.857 174.994 175.800 0.084 0.000 1.141 533 F CA -1.216 56.847 58.000 0.104 0.000 0.941 533 F CB 1.310 40.370 39.000 0.100 0.000 1.349 533 F HN -0.110 nan 8.300 nan 0.000 0.464 534 K N 1.408 121.929 120.400 0.202 0.000 2.221 534 K HA 0.753 5.073 4.320 -0.001 0.000 0.243 534 K C -1.768 174.907 176.600 0.125 0.000 0.968 534 K CA -1.029 55.294 56.287 0.060 0.000 0.846 534 K CB 2.843 35.366 32.500 0.040 0.000 1.141 534 K HN 0.833 nan 8.250 nan 0.000 0.434 535 L N 0.236 121.477 121.223 0.029 0.000 2.381 535 L HA 0.470 4.809 4.340 -0.001 0.000 0.268 535 L C -1.150 175.739 176.870 0.032 0.000 0.997 535 L CA -0.285 54.580 54.840 0.041 0.000 0.818 535 L CB 2.073 44.121 42.059 -0.018 0.000 1.310 535 L HN 0.634 nan 8.230 nan 0.000 0.416 536 S N 5.316 121.058 115.700 0.070 0.000 2.707 536 S HA 0.608 5.077 4.470 -0.001 0.000 0.303 536 S C -0.858 173.796 174.600 0.091 0.000 1.132 536 S CA -0.629 57.600 58.200 0.047 0.000 1.046 536 S CB 0.827 64.044 63.200 0.029 0.000 1.004 536 S HN 0.535 nan 8.310 nan 0.000 0.483 537 I N 4.232 124.832 120.570 0.050 0.000 2.331 537 I HA 0.339 4.508 4.170 -0.001 0.000 0.292 537 I C 0.086 176.178 176.117 -0.042 0.000 0.998 537 I CA -0.339 60.965 61.300 0.008 0.000 1.267 537 I CB 1.910 39.892 38.000 -0.029 0.000 1.386 537 I HN 0.496 nan 8.210 nan 0.000 0.476 538 T N 6.217 120.714 114.554 -0.096 0.000 2.807 538 T HA 0.539 4.888 4.350 -0.001 0.000 0.279 538 T C -0.612 173.978 174.700 -0.184 0.000 0.993 538 T CA -0.342 61.752 62.100 -0.010 0.000 0.970 538 T CB 0.680 69.615 68.868 0.112 0.000 0.950 538 T HN 0.102 nan 8.240 nan 0.000 0.441 539 F N 2.339 122.369 119.950 0.134 0.000 2.458 539 F HA 0.566 5.093 4.527 -0.001 0.000 0.336 539 F C 0.657 176.455 175.800 -0.003 0.000 1.114 539 F CA -1.049 56.990 58.000 0.066 0.000 0.987 539 F CB 1.456 40.490 39.000 0.058 0.000 1.130 539 F HN 0.271 nan 8.300 nan 0.000 0.458 540 R N 2.815 123.338 120.500 0.038 0.000 2.360 540 R HA 0.367 4.707 4.340 -0.001 0.000 0.318 540 R C -1.210 174.991 176.300 -0.165 0.000 0.950 540 R CA -0.636 55.289 56.100 -0.290 0.000 0.837 540 R CB 0.754 30.776 30.300 -0.462 0.000 1.165 540 R HN 0.589 nan 8.270 nan 0.000 0.458 541 N N 3.489 122.091 118.700 -0.164 0.000 2.527 541 N HA 0.118 4.858 4.740 -0.001 0.000 0.236 541 N C -0.597 174.838 175.510 -0.125 0.000 0.999 541 N CA -0.368 52.651 53.050 -0.051 0.000 0.935 541 N CB 0.982 39.486 38.487 0.030 0.000 1.132 541 N HN 0.596 nan 8.380 nan 0.000 0.511 542 N N 0.494 119.131 118.700 -0.105 0.000 2.461 542 N HA -0.047 4.692 4.740 -0.001 0.000 0.188 542 N C 0.095 175.528 175.510 -0.128 0.000 1.134 542 N CA 0.165 53.143 53.050 -0.120 0.000 0.878 542 N CB 0.188 38.626 38.487 -0.082 0.000 0.972 542 N HN 0.438 nan 8.380 nan 0.000 0.456 543 S N -0.999 114.660 115.700 -0.067 0.000 2.652 543 S HA 0.155 4.625 4.470 -0.001 0.000 0.270 543 S C 0.884 175.342 174.600 -0.236 0.000 1.243 543 S CA -0.338 57.823 58.200 -0.066 0.000 0.999 543 S CB 0.811 64.090 63.200 0.131 0.000 0.973 543 S HN 0.251 nan 8.310 nan 0.000 0.544 544 H N 1.085 120.134 119.070 -0.035 0.000 2.551 544 H HA 0.274 4.830 4.556 -0.001 0.000 0.266 544 H C 0.170 175.422 175.328 -0.125 0.000 0.977 544 H CA 0.247 56.258 56.048 -0.061 0.000 1.163 544 H CB 0.080 29.818 29.762 -0.039 0.000 1.381 544 H HN 0.363 nan 8.280 nan 0.000 0.581 545 N N 1.329 119.941 118.700 -0.145 0.000 2.524 545 N HA 0.071 4.811 4.740 -0.001 0.000 0.283 545 N C 0.053 175.260 175.510 -0.506 0.000 1.142 545 N CA -0.296 52.537 53.050 -0.361 0.000 0.984 545 N CB 1.216 39.346 38.487 -0.596 0.000 1.155 545 N HN 0.256 nan 8.380 nan 0.000 0.467 546 R N 1.666 121.918 120.500 -0.412 0.000 2.340 546 R HA 0.206 4.546 4.340 -0.001 0.000 0.300 546 R C -1.062 174.970 176.300 -0.446 0.000 1.069 546 R CA -0.065 55.843 56.100 -0.319 0.000 0.984 546 R CB 0.288 30.493 30.300 -0.158 0.000 1.003 546 R HN 0.449 nan 8.270 nan 0.000 0.459 547 Y N 0.404 120.676 120.300 -0.047 0.000 2.598 547 Y HA 0.322 4.872 4.550 -0.001 0.000 0.340 547 Y C 0.297 176.149 175.900 -0.080 0.000 1.038 547 Y CA -0.701 57.365 58.100 -0.058 0.000 1.100 547 Y CB 2.313 40.735 38.460 -0.064 0.000 1.281 547 Y HN 0.604 nan 8.280 nan 0.000 0.488 548 T N -0.137 114.489 114.554 0.119 0.000 2.856 548 T HA 0.874 5.224 4.350 -0.001 0.000 0.283 548 T C -0.840 173.821 174.700 -0.064 0.000 1.008 548 T CA -0.606 61.492 62.100 -0.003 0.000 0.997 548 T CB 1.308 70.166 68.868 -0.016 0.000 0.992 548 T HN 0.456 nan 8.240 nan 0.000 0.454 549 I N 1.203 121.680 120.570 -0.155 0.000 2.686 549 I HA 0.431 4.601 4.170 -0.001 0.000 0.295 549 I C -0.393 175.551 176.117 -0.288 0.000 1.114 549 I CA -0.827 60.332 61.300 -0.236 0.000 1.038 549 I CB 2.905 40.683 38.000 -0.371 0.000 1.238 549 I HN 0.663 nan 8.210 nan 0.000 0.420 550 T N 4.614 118.981 114.554 -0.312 0.000 2.772 550 T HA 0.691 5.041 4.350 -0.001 0.000 0.288 550 T C -0.360 173.908 174.700 -0.720 0.000 0.994 550 T CA -0.465 61.355 62.100 -0.467 0.000 0.951 550 T CB 1.194 69.858 68.868 -0.341 0.000 0.933 550 T HN 0.620 nan 8.240 nan 0.000 0.447 551 A N 3.513 125.746 122.820 -0.978 0.000 2.337 551 A HA 0.865 5.184 4.320 -0.001 0.000 0.331 551 A C -1.550 175.336 177.584 -1.164 0.000 1.137 551 A CA -0.684 50.757 52.037 -0.993 0.000 0.807 551 A CB 0.861 19.280 19.000 -0.968 0.000 1.250 551 A HN 0.779 nan 8.150 nan 0.000 0.468 552 Y N 0.365 120.504 120.300 -0.268 0.000 2.425 552 Y HA 0.576 5.126 4.550 -0.000 0.000 0.344 552 Y C -0.283 175.574 175.900 -0.070 0.000 0.969 552 Y CA -0.722 57.293 58.100 -0.141 0.000 1.052 552 Y CB 1.972 40.372 38.460 -0.100 0.000 1.215 552 Y HN 0.620 nan 8.280 nan 0.000 0.451 553 L N 3.042 124.345 121.223 0.133 0.000 2.333 553 L HA 0.652 4.992 4.340 -0.001 0.000 0.280 553 L C -0.746 176.193 176.870 0.116 0.000 1.004 553 L CA -0.365 54.535 54.840 0.100 0.000 0.820 553 L CB 1.558 43.679 42.059 0.104 0.000 1.247 553 L HN 0.698 nan 8.230 nan 0.000 0.416 554 S N 4.164 119.951 115.700 0.144 0.000 2.552 554 S HA 0.818 5.288 4.470 -0.001 0.000 0.314 554 S C -0.687 173.968 174.600 0.092 0.000 1.099 554 S CA -0.391 57.879 58.200 0.116 0.000 1.070 554 S CB 1.488 64.785 63.200 0.161 0.000 0.998 554 S HN 0.763 nan 8.310 nan 0.000 0.474 555 A N 4.850 127.589 122.820 -0.135 0.000 2.318 555 A HA 0.786 5.106 4.320 -0.001 0.000 0.317 555 A C -0.745 176.551 177.584 -0.481 0.000 1.159 555 A CA -0.802 50.975 52.037 -0.432 0.000 0.799 555 A CB 0.778 19.407 19.000 -0.618 0.000 1.194 555 A HN 0.774 nan 8.150 nan 0.000 0.479 556 N N 0.895 119.509 118.700 -0.144 0.000 2.272 556 N HA 0.564 5.304 4.740 -0.001 0.000 0.305 556 N C -1.089 174.615 175.510 0.323 0.000 1.103 556 N CA -0.455 52.685 53.050 0.151 0.000 0.791 556 N CB 1.600 40.190 38.487 0.172 0.000 1.356 556 N HN 0.517 nan 8.380 nan 0.000 0.486 557 I N 0.893 121.680 120.570 0.360 0.000 2.441 557 I HA 0.215 4.384 4.170 -0.001 0.000 0.287 557 I C 1.032 177.251 176.117 0.170 0.000 1.049 557 I CA 0.124 61.561 61.300 0.229 0.000 1.381 557 I CB 0.710 38.824 38.000 0.189 0.000 1.409 557 I HN 0.545 nan 8.210 nan 0.000 0.523 558 T N 2.500 117.140 114.554 0.143 0.000 2.887 558 T HA 0.582 4.932 4.350 -0.001 0.000 0.292 558 T C -0.344 174.468 174.700 0.186 0.000 1.087 558 T CA -0.702 61.484 62.100 0.142 0.000 1.009 558 T CB 1.168 70.097 68.868 0.100 0.000 1.203 558 T HN 0.142 nan 8.240 nan 0.000 0.518 559 F N 1.228 121.178 119.950 0.001 0.000 2.352 559 F HA 0.384 4.911 4.527 -0.000 0.000 0.304 559 F C 1.614 177.415 175.800 0.003 0.000 1.215 559 F CA -1.005 57.006 58.000 0.017 0.000 1.121 559 F CB 0.648 39.630 39.000 -0.030 0.000 1.329 559 F HN 0.803 nan 8.300 nan 0.000 0.528 560 Y N -0.960 119.129 120.300 -0.352 0.000 2.439 560 Y HA 0.004 4.554 4.550 -0.001 0.000 0.292 560 Y C 1.949 177.706 175.900 -0.238 0.000 1.130 560 Y CA 0.979 58.934 58.100 -0.241 0.000 1.254 560 Y CB -2.198 36.070 38.460 -0.320 0.000 1.000 560 Y HN 0.451 nan 8.280 nan 0.000 0.554 561 T N -3.078 110.910 114.554 -0.943 0.000 3.155 561 T HA 0.235 4.584 4.350 -0.001 0.000 0.264 561 T C 1.856 176.228 174.700 -0.547 0.000 1.160 561 T CA 0.774 62.078 62.100 -1.326 0.000 1.075 561 T CB -0.898 67.050 68.868 -1.532 0.000 0.921 561 T HN 0.928 nan 8.240 nan 0.000 0.533 562 G N 0.412 109.089 108.800 -0.204 0.000 2.225 562 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.254 562 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.254 562 G C 0.142 174.989 174.900 -0.087 0.000 0.988 562 G CA -0.082 44.960 45.100 -0.097 0.000 0.625 562 G HN 0.714 nan 8.290 nan 0.000 0.527 563 V N 3.996 123.859 119.914 -0.085 0.000 2.529 563 V HA 0.372 4.492 4.120 -0.001 0.000 0.292 563 V C -0.949 175.155 176.094 0.015 0.000 1.028 563 V CA -0.371 61.899 62.300 -0.050 0.000 1.074 563 V CB 1.065 32.825 31.823 -0.104 0.000 0.958 563 V HN 0.351 nan 8.190 nan 0.000 0.481 564 P HA 0.294 nan 4.420 nan 0.000 0.286 564 P C -0.149 177.193 177.300 0.069 0.000 1.261 564 P CA -0.617 62.525 63.100 0.069 0.000 0.821 564 P CB 2.200 33.953 31.700 0.089 0.000 1.013 565 K N 1.719 122.175 120.400 0.094 0.000 2.240 565 K HA 0.364 4.683 4.320 -0.001 0.000 0.202 565 K C 0.159 176.815 176.600 0.093 0.000 1.053 565 K CA 0.378 56.715 56.287 0.083 0.000 0.973 565 K CB 0.513 33.072 32.500 0.099 0.000 0.924 565 K HN 0.621 nan 8.250 nan 0.000 0.477 566 A N 0.936 123.834 122.820 0.129 0.000 2.605 566 A HA 0.268 4.588 4.320 -0.001 0.000 0.294 566 A C -1.761 175.928 177.584 0.175 0.000 1.062 566 A CA -0.679 51.440 52.037 0.136 0.000 0.682 566 A CB 1.351 20.431 19.000 0.135 0.000 1.278 566 A HN 0.219 nan 8.150 nan 0.000 0.410 567 E N 1.046 121.328 120.200 0.136 0.000 2.180 567 E HA 0.414 4.763 4.350 -0.001 0.000 0.283 567 E C 0.066 176.755 176.600 0.148 0.000 1.061 567 E CA -0.348 56.113 56.400 0.103 0.000 0.861 567 E CB 0.233 29.966 29.700 0.056 0.000 1.056 567 E HN 0.615 nan 8.360 nan 0.000 0.407 568 F N 3.744 123.757 119.950 0.104 0.000 2.714 568 F HA 0.390 4.916 4.527 -0.001 0.000 0.294 568 F C 0.273 176.147 175.800 0.123 0.000 1.120 568 F CA -0.530 57.541 58.000 0.117 0.000 1.398 568 F CB 0.444 39.536 39.000 0.153 0.000 1.120 568 F HN 0.136 nan 8.300 nan 0.000 0.589 569 K N 1.306 121.470 120.400 -0.394 0.000 2.535 569 K HA 0.447 4.766 4.320 -0.001 0.000 0.251 569 K C -1.843 174.675 176.600 -0.136 0.000 0.942 569 K CA -0.772 55.379 56.287 -0.228 0.000 0.798 569 K CB 1.961 34.298 32.500 -0.273 0.000 1.267 569 K HN 0.047 nan 8.250 nan 0.000 0.434 570 K N 2.813 123.202 120.400 -0.018 0.000 2.507 570 K HA 0.338 4.657 4.320 -0.001 0.000 0.251 570 K C -1.544 175.095 176.600 0.065 0.000 0.943 570 K CA -0.428 55.874 56.287 0.026 0.000 0.794 570 K CB 1.488 34.007 32.500 0.033 0.000 1.188 570 K HN 0.448 nan 8.250 nan 0.000 0.428 571 E N 1.798 122.058 120.200 0.100 0.000 2.340 571 E HA 0.346 4.695 4.350 -0.001 0.000 0.273 571 E C -1.176 175.523 176.600 0.165 0.000 0.891 571 E CA -0.750 55.729 56.400 0.132 0.000 0.757 571 E CB 2.205 31.991 29.700 0.145 0.000 1.231 571 E HN 0.701 nan 8.360 nan 0.000 0.439 572 T N 0.398 115.042 114.554 0.150 0.000 2.906 572 T HA 0.831 5.181 4.350 -0.001 0.000 0.295 572 T C -1.329 173.425 174.700 0.089 0.000 1.061 572 T CA -0.625 61.493 62.100 0.030 0.000 1.000 572 T CB 0.653 69.523 68.868 0.002 0.000 1.103 572 T HN 0.423 nan 8.240 nan 0.000 0.486 573 F N 0.012 119.868 119.950 -0.156 0.000 2.693 573 F HA 0.763 5.289 4.527 -0.001 0.000 0.309 573 F C -1.609 174.093 175.800 -0.164 0.000 1.129 573 F CA -1.151 56.780 58.000 -0.114 0.000 0.948 573 F CB 0.883 39.845 39.000 -0.064 0.000 1.315 573 F HN 0.359 nan 8.300 nan 0.000 0.447 574 D N 1.839 122.278 120.400 0.065 0.000 2.248 574 D HA 0.628 5.268 4.640 -0.001 0.000 0.246 574 D C -0.741 175.576 176.300 0.028 0.000 1.027 574 D CA -0.216 53.749 54.000 -0.057 0.000 0.853 574 D CB 2.470 43.242 40.800 -0.046 0.000 1.243 574 D HN 0.720 nan 8.370 nan 0.000 0.462 575 V N -1.327 118.525 119.914 -0.105 0.000 3.007 575 V HA 0.742 4.862 4.120 -0.001 0.000 0.311 575 V C -0.271 175.745 176.094 -0.130 0.000 1.120 575 V CA -0.689 61.548 62.300 -0.104 0.000 0.980 575 V CB 2.028 33.720 31.823 -0.219 0.000 1.033 575 V HN 0.420 nan 8.190 nan 0.000 0.429 576 T N 4.480 118.987 114.554 -0.079 0.000 2.807 576 T HA 0.695 5.045 4.350 -0.001 0.000 0.279 576 T C -0.494 174.178 174.700 -0.047 0.000 0.993 576 T CA -0.305 61.761 62.100 -0.056 0.000 0.970 576 T CB 1.073 69.922 68.868 -0.031 0.000 0.950 576 T HN 0.649 nan 8.240 nan 0.000 0.441 577 L N 3.467 124.673 121.223 -0.028 0.000 2.287 577 L HA 0.459 4.799 4.340 -0.001 0.000 0.287 577 L C 0.489 177.354 176.870 -0.009 0.000 1.022 577 L CA -1.143 53.697 54.840 -0.002 0.000 0.814 577 L CB 1.115 43.195 42.059 0.035 0.000 1.217 577 L HN 0.462 nan 8.230 nan 0.000 0.420 578 E N 3.237 123.432 120.200 -0.009 0.000 2.408 578 E HA 0.192 4.542 4.350 -0.001 0.000 0.259 578 E C -2.259 174.314 176.600 -0.045 0.000 1.110 578 E CA -2.033 54.351 56.400 -0.028 0.000 0.929 578 E CB -0.013 29.682 29.700 -0.008 0.000 0.971 578 E HN 0.263 nan 8.360 nan 0.000 0.438 579 P HA -0.082 nan 4.420 nan 0.000 0.264 579 P C 0.018 177.268 177.300 -0.082 0.000 1.179 579 P CA 0.440 63.485 63.100 -0.091 0.000 0.763 579 P CB 0.230 31.892 31.700 -0.064 0.000 0.806 580 L N -0.154 120.991 121.223 -0.131 0.000 3.795 580 L HA -0.264 4.075 4.340 -0.001 0.000 0.489 580 L C 0.241 177.079 176.870 -0.054 0.000 1.259 580 L CA 0.644 55.411 54.840 -0.121 0.000 0.765 580 L CB -2.329 39.663 42.059 -0.112 0.000 1.519 580 L HN 0.645 nan 8.230 nan 0.000 0.842 581 S N -1.915 113.741 115.700 -0.073 0.000 2.672 581 S HA 0.852 5.321 4.470 -0.001 0.000 0.271 581 S C -0.887 173.656 174.600 -0.096 0.000 1.171 581 S CA -1.005 57.203 58.200 0.013 0.000 0.817 581 S CB 2.254 65.487 63.200 0.055 0.000 1.150 581 S HN 0.088 nan 8.310 nan 0.000 0.478 582 F N 0.737 120.721 119.950 0.057 0.000 2.508 582 F HA 0.790 5.316 4.527 -0.001 0.000 0.325 582 F C 0.228 176.085 175.800 0.095 0.000 1.090 582 F CA -0.488 57.561 58.000 0.082 0.000 0.945 582 F CB 2.235 41.272 39.000 0.061 0.000 1.156 582 F HN 0.729 nan 8.300 nan 0.000 0.463 583 K N 2.439 123.031 120.400 0.320 0.000 2.468 583 K HA 0.436 4.755 4.320 -0.001 0.000 0.252 583 K C -1.459 175.328 176.600 0.312 0.000 0.932 583 K CA -0.840 55.602 56.287 0.258 0.000 0.794 583 K CB 1.983 34.600 32.500 0.195 0.000 1.241 583 K HN 0.635 nan 8.250 nan 0.000 0.428 584 K N 2.250 122.775 120.400 0.208 0.000 2.203 584 K HA 0.303 4.623 4.320 -0.001 0.000 0.251 584 K C -1.434 175.233 176.600 0.110 0.000 0.944 584 K CA -0.615 55.769 56.287 0.162 0.000 0.829 584 K CB 1.656 34.209 32.500 0.089 0.000 1.125 584 K HN 0.570 nan 8.250 nan 0.000 0.430 585 E N 1.927 122.165 120.200 0.064 0.000 2.263 585 E HA 0.487 4.837 4.350 -0.001 0.000 0.268 585 E C -1.975 174.540 176.600 -0.142 0.000 0.884 585 E CA -0.616 55.714 56.400 -0.116 0.000 0.766 585 E CB 1.851 31.337 29.700 -0.357 0.000 1.196 585 E HN 0.626 nan 8.360 nan 0.000 0.416 586 A N 3.207 125.938 122.820 -0.147 0.000 2.324 586 A HA 0.759 5.078 4.320 -0.001 0.000 0.330 586 A C -1.055 176.451 177.584 -0.130 0.000 1.165 586 A CA -0.666 51.312 52.037 -0.098 0.000 0.813 586 A CB 1.320 20.287 19.000 -0.056 0.000 1.197 586 A HN 0.427 nan 8.150 nan 0.000 0.484 587 V N 3.031 122.887 119.914 -0.096 0.000 2.638 587 V HA 0.380 4.500 4.120 -0.001 0.000 0.306 587 V C -0.382 175.664 176.094 -0.079 0.000 1.052 587 V CA -0.584 61.662 62.300 -0.090 0.000 0.885 587 V CB 1.662 33.443 31.823 -0.071 0.000 0.999 587 V HN 0.850 nan 8.190 nan 0.000 0.424 588 L N 5.416 126.593 121.223 -0.077 0.000 2.275 588 L HA 0.600 4.939 4.340 -0.001 0.000 0.288 588 L C -1.174 175.623 176.870 -0.123 0.000 1.046 588 L CA -0.440 54.344 54.840 -0.094 0.000 0.805 588 L CB 1.437 43.462 42.059 -0.057 0.000 1.193 588 L HN 0.568 nan 8.230 nan 0.000 0.426 589 I N 4.590 125.003 120.570 -0.262 0.000 2.330 589 I HA 0.277 4.447 4.170 -0.001 0.000 0.289 589 I C 0.126 176.147 176.117 -0.159 0.000 1.001 589 I CA -0.057 61.084 61.300 -0.265 0.000 1.193 589 I CB 1.630 39.219 38.000 -0.686 0.000 1.345 589 I HN 0.549 nan 8.210 nan 0.000 0.461 590 Q N 3.582 123.369 119.800 -0.022 0.000 2.230 590 Q HA 0.527 4.867 4.340 -0.001 0.000 0.248 590 Q C 1.219 177.195 176.000 -0.040 0.000 0.915 590 Q CA -0.342 55.452 55.803 -0.015 0.000 0.900 590 Q CB 1.640 30.369 28.738 -0.014 0.000 1.229 590 Q HN 0.811 nan 8.270 nan 0.000 0.439 591 A N 2.292 125.056 122.820 -0.094 0.000 1.927 591 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 591 A C 1.933 179.154 177.584 -0.605 0.000 1.185 591 A CA 2.244 54.029 52.037 -0.421 0.000 0.639 591 A CB -1.415 17.467 19.000 -0.196 0.000 0.820 591 A HN 1.002 nan 8.150 nan 0.000 0.451 592 G N -0.786 107.856 108.800 -0.263 0.000 2.485 592 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.221 592 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.221 592 G C 1.344 176.165 174.900 -0.133 0.000 1.115 592 G CA 1.055 46.049 45.100 -0.176 0.000 0.751 592 G HN 0.729 nan 8.290 nan 0.000 0.567 593 E N -0.848 119.305 120.200 -0.079 0.000 2.285 593 E HA -0.041 4.308 4.350 -0.001 0.000 0.194 593 E C 1.900 178.553 176.600 0.090 0.000 0.997 593 E CA 1.013 57.480 56.400 0.111 0.000 0.845 593 E CB -0.071 29.798 29.700 0.282 0.000 0.782 593 E HN 0.862 nan 8.360 nan 0.000 0.491 594 Y N -2.054 118.187 120.300 -0.099 0.000 2.483 594 Y HA 0.336 4.886 4.550 -0.001 0.000 0.258 594 Y C 0.777 176.589 175.900 -0.147 0.000 1.083 594 Y CA -0.638 57.249 58.100 -0.354 0.000 1.283 594 Y CB 0.090 38.134 38.460 -0.693 0.000 1.178 594 Y HN -0.216 nan 8.280 nan 0.000 0.515 595 M N 2.339 121.699 119.600 -0.400 0.000 2.252 595 M HA 0.240 4.719 4.480 -0.001 0.000 0.348 595 M C 1.378 177.656 176.300 -0.037 0.000 1.334 595 M CA 1.290 56.484 55.300 -0.175 0.000 1.071 595 M CB -0.125 32.326 32.600 -0.249 0.000 1.763 595 M HN 0.823 nan 8.290 nan 0.000 0.452 596 G N 3.334 112.151 108.800 0.029 0.000 2.195 596 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.246 596 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.246 596 G C 0.596 175.527 174.900 0.050 0.000 0.984 596 G CA 0.236 45.356 45.100 0.034 0.000 0.633 596 G HN 0.674 nan 8.290 nan 0.000 0.525 597 Q N -0.445 119.393 119.800 0.063 0.000 2.189 597 Q HA 0.424 4.763 4.340 -0.001 0.000 0.223 597 Q C 0.956 177.002 176.000 0.077 0.000 0.828 597 Q CA -0.289 55.556 55.803 0.070 0.000 0.967 597 Q CB 0.910 29.694 28.738 0.077 0.000 1.139 597 Q HN 0.550 nan 8.270 nan 0.000 0.497 598 L N 1.727 122.998 121.223 0.081 0.000 2.456 598 L HA 0.145 4.485 4.340 -0.001 0.000 0.272 598 L C 0.113 177.032 176.870 0.081 0.000 1.189 598 L CA 0.016 54.898 54.840 0.070 0.000 0.846 598 L CB 0.323 42.424 42.059 0.070 0.000 1.111 598 L HN 0.060 nan 8.230 nan 0.000 0.475 599 L N 1.649 122.925 121.223 0.089 0.000 2.431 599 L HA 0.292 4.631 4.340 -0.001 0.000 0.260 599 L C 0.561 177.462 176.870 0.053 0.000 1.098 599 L CA -0.866 54.047 54.840 0.121 0.000 0.800 599 L CB 0.784 42.979 42.059 0.225 0.000 1.210 599 L HN 0.640 nan 8.230 nan 0.000 0.465 600 E N 0.765 120.999 120.200 0.058 0.000 2.502 600 E HA -0.079 4.271 4.350 -0.001 0.000 0.261 600 E C -0.446 176.026 176.600 -0.214 0.000 0.974 600 E CA 0.019 56.399 56.400 -0.034 0.000 0.936 600 E CB 0.404 30.124 29.700 0.033 0.000 0.926 600 E HN 0.661 nan 8.360 nan 0.000 0.459 601 Q N 1.122 120.780 119.800 -0.236 0.000 2.402 601 Q HA -0.293 4.046 4.340 -0.001 0.000 0.156 601 Q C 0.395 176.341 176.000 -0.090 0.000 0.563 601 Q CA 0.661 56.281 55.803 -0.306 0.000 1.312 601 Q CB -2.067 26.359 28.738 -0.519 0.000 1.149 601 Q HN 1.395 nan 8.270 nan 0.000 1.029 602 A N 0.100 122.887 122.820 -0.056 0.000 2.687 602 A HA -0.201 4.118 4.320 -0.001 0.000 0.299 602 A C 0.200 177.762 177.584 -0.037 0.000 1.497 602 A CA 1.186 53.204 52.037 -0.032 0.000 0.751 602 A CB -1.613 17.375 19.000 -0.021 0.000 1.048 602 A HN 0.491 nan 8.150 nan 0.000 0.464 603 S N -0.509 115.188 115.700 -0.005 0.000 2.562 603 S HA 0.744 5.214 4.470 -0.001 0.000 0.275 603 S C -0.122 174.504 174.600 0.043 0.000 1.281 603 S CA -0.494 57.730 58.200 0.041 0.000 1.045 603 S CB 1.252 64.505 63.200 0.087 0.000 0.962 603 S HN 0.572 nan 8.310 nan 0.000 0.503 604 L N 2.274 123.532 121.223 0.058 0.000 2.370 604 L HA 0.560 4.900 4.340 -0.001 0.000 0.266 604 L C -0.559 176.296 176.870 -0.026 0.000 1.002 604 L CA -0.466 54.385 54.840 0.019 0.000 0.818 604 L CB 1.662 43.733 42.059 0.019 0.000 1.325 604 L HN 0.806 nan 8.230 nan 0.000 0.418 605 H N 1.322 120.207 119.070 -0.307 0.000 2.717 605 H HA 0.738 5.294 4.556 -0.001 0.000 0.366 605 H C -1.706 173.300 175.328 -0.536 0.000 1.132 605 H CA -0.482 55.403 56.048 -0.273 0.000 1.180 605 H CB 1.382 31.070 29.762 -0.123 0.000 1.678 605 H HN 0.305 nan 8.280 nan 0.000 0.537 606 F N 4.240 123.862 119.950 -0.547 0.000 2.518 606 F HA 0.395 4.922 4.527 -0.000 0.000 0.323 606 F C -1.139 174.474 175.800 -0.312 0.000 1.129 606 F CA -0.646 57.252 58.000 -0.171 0.000 0.920 606 F CB 1.060 40.187 39.000 0.212 0.000 1.160 606 F HN 0.352 nan 8.300 nan 0.000 0.440 607 F N 2.332 122.353 119.950 0.119 0.000 2.443 607 F HA 0.685 5.212 4.527 -0.001 0.000 0.335 607 F C -0.296 175.478 175.800 -0.043 0.000 1.104 607 F CA -1.148 56.917 58.000 0.108 0.000 1.013 607 F CB 1.808 40.882 39.000 0.122 0.000 1.136 607 F HN 0.024 nan 8.300 nan 0.000 0.470 608 V N 2.427 122.388 119.914 0.078 0.000 2.409 608 V HA 0.484 4.604 4.120 -0.001 0.000 0.290 608 V C -0.344 175.749 176.094 -0.001 0.000 1.017 608 V CA -0.676 61.539 62.300 -0.141 0.000 0.841 608 V CB 1.553 33.045 31.823 -0.552 0.000 1.003 608 V HN 0.866 nan 8.190 nan 0.000 0.426 609 T N 1.749 116.324 114.554 0.034 0.000 2.908 609 T HA 0.949 5.298 4.350 -0.001 0.000 0.290 609 T C -0.452 174.280 174.700 0.053 0.000 1.034 609 T CA -0.629 61.487 62.100 0.027 0.000 1.010 609 T CB 2.387 71.272 68.868 0.028 0.000 1.068 609 T HN 1.148 nan 8.240 nan 0.000 0.481 610 A N 1.758 124.593 122.820 0.024 0.000 2.547 610 A HA 0.757 5.076 4.320 -0.001 0.000 0.297 610 A C -0.655 176.919 177.584 -0.016 0.000 1.056 610 A CA -0.980 51.043 52.037 -0.024 0.000 0.688 610 A CB 1.627 20.650 19.000 0.039 0.000 1.282 610 A HN 0.902 nan 8.150 nan 0.000 0.400 611 R N 2.329 122.809 120.500 -0.034 0.000 2.346 611 R HA 0.582 4.921 4.340 -0.001 0.000 0.311 611 R C -1.087 175.157 176.300 -0.093 0.000 0.983 611 R CA -0.568 55.511 56.100 -0.036 0.000 0.880 611 R CB 0.649 30.958 30.300 0.015 0.000 1.100 611 R HN 0.717 nan 8.270 nan 0.000 0.453 612 I N 4.765 125.267 120.570 -0.113 0.000 2.396 612 I HA -0.027 4.143 4.170 -0.001 0.000 0.289 612 I C 1.193 177.251 176.117 -0.098 0.000 1.056 612 I CA -0.311 60.892 61.300 -0.161 0.000 1.365 612 I CB 1.085 38.905 38.000 -0.300 0.000 1.407 612 I HN 0.617 nan 8.210 nan 0.000 0.509 613 N N 4.149 122.815 118.700 -0.056 0.000 2.142 613 N HA -0.148 4.592 4.740 -0.001 0.000 0.186 613 N C 1.399 176.915 175.510 0.009 0.000 1.023 613 N CA 1.374 54.412 53.050 -0.019 0.000 0.852 613 N CB 0.083 38.566 38.487 -0.007 0.000 0.998 613 N HN 0.544 nan 8.380 nan 0.000 0.424 614 E N -0.784 119.449 120.200 0.055 0.000 2.208 614 E HA -0.040 4.309 4.350 -0.001 0.000 0.193 614 E C 1.629 178.268 176.600 0.064 0.000 0.988 614 E CA 1.158 57.615 56.400 0.095 0.000 0.828 614 E CB -0.102 29.724 29.700 0.209 0.000 0.763 614 E HN 0.538 nan 8.360 nan 0.000 0.478 615 T N -3.208 111.348 114.554 0.003 0.000 3.003 615 T HA 0.185 4.534 4.350 -0.001 0.000 0.261 615 T C 0.659 175.342 174.700 -0.029 0.000 1.003 615 T CA -0.503 61.590 62.100 -0.012 0.000 0.917 615 T CB 0.342 69.174 68.868 -0.061 0.000 1.084 615 T HN -0.118 nan 8.240 nan 0.000 0.522 616 R N 1.218 121.696 120.500 -0.035 0.000 3.932 616 R HA -0.117 4.223 4.340 -0.001 0.000 0.318 616 R C -0.996 175.278 176.300 -0.043 0.000 1.219 616 R CA 0.930 57.011 56.100 -0.032 0.000 0.889 616 R CB -2.714 27.579 30.300 -0.011 0.000 1.309 616 R HN 0.532 nan 8.270 nan 0.000 0.537 617 D N -0.005 120.350 120.400 -0.075 0.000 2.368 617 D HA 0.278 4.918 4.640 -0.001 0.000 0.240 617 D C 0.371 176.628 176.300 -0.071 0.000 1.169 617 D CA -0.031 53.924 54.000 -0.076 0.000 0.906 617 D CB 0.965 41.699 40.800 -0.111 0.000 1.187 617 D HN -0.190 nan 8.370 nan 0.000 0.435 618 V N 1.941 121.819 119.914 -0.059 0.000 2.495 618 V HA 0.372 4.491 4.120 -0.001 0.000 0.298 618 V C 0.040 176.083 176.094 -0.084 0.000 1.031 618 V CA -0.749 61.515 62.300 -0.061 0.000 0.871 618 V CB 1.534 33.326 31.823 -0.052 0.000 0.988 618 V HN 0.284 nan 8.190 nan 0.000 0.432 619 L N 3.922 125.098 121.223 -0.079 0.000 2.331 619 L HA 0.965 5.305 4.340 -0.001 0.000 0.275 619 L C 0.051 176.820 176.870 -0.168 0.000 1.022 619 L CA -0.485 54.299 54.840 -0.094 0.000 0.812 619 L CB 1.850 43.900 42.059 -0.015 0.000 1.257 619 L HN 0.749 nan 8.230 nan 0.000 0.435 620 A N 2.615 125.272 122.820 -0.272 0.000 2.520 620 A HA 0.855 5.175 4.320 -0.001 0.000 0.298 620 A C -1.263 176.193 177.584 -0.213 0.000 1.051 620 A CA -0.592 51.204 52.037 -0.401 0.000 0.690 620 A CB 2.143 20.421 19.000 -1.202 0.000 1.281 620 A HN 0.568 nan 8.150 nan 0.000 0.402 621 K N 0.520 120.934 120.400 0.024 0.000 2.562 621 K HA 0.593 4.913 4.320 -0.001 0.000 0.267 621 K C -1.379 175.432 176.600 0.351 0.000 0.938 621 K CA -0.156 56.244 56.287 0.187 0.000 0.840 621 K CB 1.919 34.591 32.500 0.287 0.000 1.390 621 K HN 0.788 nan 8.250 nan 0.000 0.428 622 Q N 1.849 121.748 119.800 0.165 0.000 2.423 622 Q HA 0.592 4.931 4.340 -0.001 0.000 0.278 622 Q C -1.101 174.865 176.000 -0.056 0.000 1.097 622 Q CA -1.302 54.523 55.803 0.036 0.000 0.809 622 Q CB 2.296 30.913 28.738 -0.201 0.000 1.391 622 Q HN 0.253 nan 8.270 nan 0.000 0.428 623 K N 0.627 121.001 120.400 -0.043 0.000 2.512 623 K HA 0.632 4.952 4.320 -0.001 0.000 0.263 623 K C -1.202 175.537 176.600 0.232 0.000 0.966 623 K CA -0.640 55.662 56.287 0.024 0.000 0.851 623 K CB 2.385 34.731 32.500 -0.256 0.000 1.395 623 K HN 0.545 nan 8.250 nan 0.000 0.440 624 S N -0.281 115.663 115.700 0.406 0.000 2.600 624 S HA 0.710 5.179 4.470 -0.001 0.000 0.300 624 S C -0.721 174.074 174.600 0.326 0.000 1.087 624 S CA -0.537 57.924 58.200 0.434 0.000 0.965 624 S CB 2.164 65.681 63.200 0.530 0.000 1.089 624 S HN 0.582 nan 8.310 nan 0.000 0.496 625 T N 0.655 115.387 114.554 0.296 0.000 2.843 625 T HA 0.686 5.036 4.350 -0.001 0.000 0.302 625 T C -1.711 173.024 174.700 0.059 0.000 1.232 625 T CA -0.564 61.613 62.100 0.128 0.000 1.009 625 T CB 1.188 70.104 68.868 0.079 0.000 1.254 625 T HN 0.674 nan 8.240 nan 0.000 0.504 626 V N 1.785 121.686 119.914 -0.022 0.000 2.656 626 V HA 0.730 4.850 4.120 -0.001 0.000 0.307 626 V C -0.417 175.614 176.094 -0.105 0.000 1.051 626 V CA -1.145 61.135 62.300 -0.034 0.000 0.893 626 V CB 1.254 33.086 31.823 0.014 0.000 0.999 626 V HN 0.891 nan 8.190 nan 0.000 0.426 627 L N 2.820 123.966 121.223 -0.128 0.000 2.456 627 L HA 0.323 4.662 4.340 -0.001 0.000 0.272 627 L C 0.946 177.791 176.870 -0.042 0.000 1.189 627 L CA 0.435 55.202 54.840 -0.122 0.000 0.846 627 L CB 0.732 42.712 42.059 -0.132 0.000 1.111 627 L HN 0.797 nan 8.230 nan 0.000 0.475 628 T N 4.284 118.818 114.554 -0.034 0.000 2.814 628 T HA 0.396 4.746 4.350 -0.001 0.000 0.297 628 T C 0.124 174.845 174.700 0.035 0.000 0.956 628 T CA -0.094 62.005 62.100 -0.002 0.000 1.123 628 T CB 0.095 68.953 68.868 -0.017 0.000 0.902 628 T HN 0.237 nan 8.240 nan 0.000 0.528 629 I N 6.337 126.944 120.570 0.062 0.000 2.385 629 I HA 0.316 4.486 4.170 -0.001 0.000 0.294 629 I C -1.572 174.597 176.117 0.086 0.000 0.988 629 I CA -2.494 58.855 61.300 0.082 0.000 1.265 629 I CB 1.336 39.395 38.000 0.099 0.000 1.388 629 I HN 0.438 nan 8.210 nan 0.000 0.480 630 P HA 0.100 nan 4.420 nan 0.000 0.269 630 P C -0.813 176.572 177.300 0.142 0.000 1.209 630 P CA -0.181 62.985 63.100 0.111 0.000 0.776 630 P CB 0.829 32.601 31.700 0.120 0.000 0.876 631 E N 1.654 121.923 120.200 0.115 0.000 2.313 631 E HA 0.307 4.656 4.350 -0.001 0.000 0.272 631 E C 0.448 177.144 176.600 0.161 0.000 1.038 631 E CA -0.805 55.663 56.400 0.112 0.000 0.863 631 E CB 1.255 31.000 29.700 0.076 0.000 1.060 631 E HN 0.421 nan 8.360 nan 0.000 0.402 632 I N 2.378 123.038 120.570 0.151 0.000 2.696 632 I HA 0.033 4.202 4.170 -0.001 0.000 0.284 632 I C 0.397 176.583 176.117 0.115 0.000 1.129 632 I CA -0.192 61.221 61.300 0.188 0.000 1.410 632 I CB 0.486 38.558 38.000 0.120 0.000 1.399 632 I HN 0.179 nan 8.210 nan 0.000 0.579 633 I N 6.317 126.948 120.570 0.102 0.000 2.359 633 I HA 0.409 4.578 4.170 -0.001 0.000 0.294 633 I C 0.025 176.166 176.117 0.040 0.000 0.987 633 I CA -0.334 60.998 61.300 0.053 0.000 1.225 633 I CB 1.223 39.242 38.000 0.032 0.000 1.366 633 I HN 0.359 nan 8.210 nan 0.000 0.466 634 I N 6.329 126.910 120.570 0.018 0.000 2.465 634 I HA 0.406 4.576 4.170 -0.001 0.000 0.291 634 I C -0.180 175.929 176.117 -0.013 0.000 1.014 634 I CA -0.678 60.620 61.300 -0.003 0.000 1.093 634 I CB 1.846 39.837 38.000 -0.015 0.000 1.267 634 I HN 0.467 nan 8.210 nan 0.000 0.431 635 K N 4.806 125.193 120.400 -0.023 0.000 2.444 635 K HA 0.848 5.168 4.320 -0.001 0.000 0.252 635 K C -1.364 175.215 176.600 -0.035 0.000 0.993 635 K CA -0.838 55.435 56.287 -0.023 0.000 0.847 635 K CB 3.194 35.684 32.500 -0.016 0.000 1.340 635 K HN 0.419 nan 8.250 nan 0.000 0.446 636 V N -1.716 118.180 119.914 -0.031 0.000 3.049 636 V HA 0.770 4.890 4.120 -0.001 0.000 0.309 636 V C -1.253 174.826 176.094 -0.025 0.000 1.148 636 V CA -1.005 61.275 62.300 -0.034 0.000 0.990 636 V CB 1.909 33.709 31.823 -0.038 0.000 1.039 636 V HN 0.968 nan 8.190 nan 0.000 0.430 637 R N 1.640 122.126 120.500 -0.023 0.000 2.781 637 R HA 0.970 5.309 4.340 -0.001 0.000 0.269 637 R C 0.044 176.335 176.300 -0.014 0.000 1.025 637 R CA -0.280 55.810 56.100 -0.016 0.000 0.914 637 R CB 1.667 31.960 30.300 -0.012 0.000 1.236 637 R HN 2.587 nan 8.270 nan 0.000 0.465 638 G N 0.421 109.214 108.800 -0.010 0.000 2.612 638 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.686 638 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.686 638 G C -0.540 174.355 174.900 -0.008 0.000 1.274 638 G CA -0.533 44.562 45.100 -0.007 0.000 0.849 638 G HN 1.016 nan 8.290 nan 0.000 0.595 639 T N -1.269 113.282 114.554 -0.004 0.000 2.916 639 T HA 0.484 4.834 4.350 -0.001 0.000 0.303 639 T C 0.480 175.176 174.700 -0.007 0.000 1.025 639 T CA 0.229 62.327 62.100 -0.005 0.000 1.142 639 T CB 1.331 70.199 68.868 -0.000 0.000 0.947 639 T HN 0.646 nan 8.240 nan 0.000 0.544 640 Q N 1.816 121.610 119.800 -0.010 0.000 2.771 640 Q HA 0.513 4.852 4.340 -0.001 0.000 0.239 640 Q C -1.065 174.929 176.000 -0.011 0.000 1.231 640 Q CA -0.529 55.265 55.803 -0.015 0.000 1.056 640 Q CB 0.757 29.483 28.738 -0.020 0.000 1.284 640 Q HN 0.540 nan 8.270 nan 0.000 0.558 641 V N 0.989 120.900 119.914 -0.004 0.000 2.841 641 V HA 0.270 4.390 4.120 -0.001 0.000 0.310 641 V C 0.175 176.277 176.094 0.013 0.000 1.090 641 V CA -1.039 61.262 62.300 0.003 0.000 0.930 641 V CB 2.241 34.069 31.823 0.007 0.000 1.014 641 V HN 0.271 nan 8.190 nan 0.000 0.425 642 V N 3.988 123.913 119.914 0.018 0.000 2.644 642 V HA 0.309 4.428 4.120 -0.001 0.000 0.305 642 V C 1.572 177.701 176.094 0.058 0.000 1.053 642 V CA 2.200 64.525 62.300 0.042 0.000 1.186 642 V CB 0.265 32.119 31.823 0.051 0.000 0.895 642 V HN 1.450 nan 8.190 nan 0.000 0.490 643 G N 3.966 112.817 108.800 0.086 0.000 2.225 643 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.254 643 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.254 643 G C 0.337 175.274 174.900 0.060 0.000 0.988 643 G CA 0.268 45.417 45.100 0.081 0.000 0.625 643 G HN 0.805 nan 8.290 nan 0.000 0.527 644 S N 0.446 116.174 115.700 0.047 0.000 2.681 644 S HA 0.624 5.094 4.470 -0.001 0.000 0.299 644 S C -0.685 173.936 174.600 0.035 0.000 1.113 644 S CA -0.698 57.523 58.200 0.035 0.000 1.013 644 S CB 1.664 64.877 63.200 0.022 0.000 1.076 644 S HN 0.257 nan 8.310 nan 0.000 0.534 645 D N 2.232 122.649 120.400 0.028 0.000 2.256 645 D HA 0.456 5.096 4.640 -0.001 0.000 0.250 645 D C -0.082 176.225 176.300 0.011 0.000 1.093 645 D CA 0.014 54.029 54.000 0.025 0.000 0.882 645 D CB 0.832 41.647 40.800 0.025 0.000 1.185 645 D HN 0.502 nan 8.370 nan 0.000 0.437 646 M N -0.918 118.685 119.600 0.004 0.000 2.501 646 M HA 0.521 5.001 4.480 -0.001 0.000 0.293 646 M C -1.042 175.248 176.300 -0.018 0.000 1.192 646 M CA -0.737 54.557 55.300 -0.010 0.000 0.886 646 M CB 2.275 34.863 32.600 -0.019 0.000 1.710 646 M HN -0.103 nan 8.290 nan 0.000 0.457 647 T N 2.344 116.884 114.554 -0.023 0.000 2.749 647 T HA 0.535 4.885 4.350 -0.001 0.000 0.287 647 T C -0.397 174.270 174.700 -0.054 0.000 0.970 647 T CA -0.486 61.594 62.100 -0.033 0.000 0.980 647 T CB 1.195 70.053 68.868 -0.018 0.000 0.924 647 T HN 0.505 nan 8.240 nan 0.000 0.456 648 V N 4.232 124.092 119.914 -0.090 0.000 2.407 648 V HA 0.391 4.510 4.120 -0.001 0.000 0.278 648 V C 0.508 176.519 176.094 -0.139 0.000 1.037 648 V CA -0.557 61.671 62.300 -0.120 0.000 0.900 648 V CB 1.558 33.280 31.823 -0.168 0.000 0.983 648 V HN 0.907 nan 8.190 nan 0.000 0.459 649 T N 4.798 119.296 114.554 -0.093 0.000 2.758 649 T HA 0.506 4.856 4.350 -0.001 0.000 0.285 649 T C -0.338 174.334 174.700 -0.047 0.000 0.981 649 T CA -0.279 61.784 62.100 -0.061 0.000 0.965 649 T CB 1.324 70.180 68.868 -0.020 0.000 0.927 649 T HN 0.351 nan 8.240 nan 0.000 0.448 650 V N 4.920 124.819 119.914 -0.025 0.000 2.370 650 V HA 0.421 4.541 4.120 -0.001 0.000 0.283 650 V C -0.123 176.043 176.094 0.119 0.000 1.023 650 V CA -0.727 61.601 62.300 0.047 0.000 0.857 650 V CB 1.485 33.350 31.823 0.071 0.000 0.985 650 V HN 0.807 nan 8.190 nan 0.000 0.443 651 Q N 3.684 123.541 119.800 0.096 0.000 2.353 651 Q HA 0.600 4.939 4.340 -0.001 0.000 0.268 651 Q C -1.543 174.545 176.000 0.147 0.000 1.045 651 Q CA -0.561 55.292 55.803 0.083 0.000 0.811 651 Q CB 3.018 31.772 28.738 0.027 0.000 1.305 651 Q HN 0.677 nan 8.270 nan 0.000 0.447 652 F N 1.284 121.198 119.950 -0.060 0.000 2.507 652 F HA 0.424 4.951 4.527 -0.001 0.000 0.328 652 F C -0.950 174.796 175.800 -0.090 0.000 1.136 652 F CA -0.406 57.553 58.000 -0.067 0.000 0.930 652 F CB 1.735 40.694 39.000 -0.069 0.000 1.166 652 F HN 0.305 nan 8.300 nan 0.000 0.436 653 T N 5.122 119.075 114.554 -1.002 0.000 2.767 653 T HA 0.169 4.518 4.350 -0.001 0.000 0.284 653 T C -0.390 173.593 174.700 -1.195 0.000 0.973 653 T CA -0.564 61.047 62.100 -0.816 0.000 0.996 653 T CB 0.557 69.178 68.868 -0.411 0.000 0.927 653 T HN 0.539 nan 8.240 nan 0.000 0.456 654 N N 4.833 123.097 118.700 -0.725 0.000 2.438 654 N HA 0.102 4.842 4.740 -0.001 0.000 0.267 654 N C -1.291 174.082 175.510 -0.229 0.000 1.222 654 N CA -2.012 50.811 53.050 -0.378 0.000 0.930 654 N CB 1.044 39.451 38.487 -0.133 0.000 1.083 654 N HN 0.239 nan 8.380 nan 0.000 0.476 655 P HA -0.009 nan 4.420 nan 0.000 0.231 655 P C 0.166 177.456 177.300 -0.016 0.000 1.168 655 P CA 0.471 63.533 63.100 -0.063 0.000 0.779 655 P CB 0.439 32.131 31.700 -0.013 0.000 0.844 656 L N -0.231 120.996 121.223 0.007 0.000 2.479 656 L HA 0.222 4.561 4.340 -0.001 0.000 0.249 656 L C 1.524 178.396 176.870 0.003 0.000 1.178 656 L CA 0.119 54.971 54.840 0.021 0.000 0.811 656 L CB -0.354 41.730 42.059 0.043 0.000 1.187 656 L HN -0.205 nan 8.230 nan 0.000 0.480 657 K N -0.746 119.658 120.400 0.006 0.000 2.374 657 K HA 0.154 4.473 4.320 -0.001 0.000 0.196 657 K C -0.029 176.573 176.600 0.004 0.000 1.023 657 K CA 0.105 56.392 56.287 -0.001 0.000 1.103 657 K CB 0.300 32.798 32.500 -0.003 0.000 0.848 657 K HN 0.515 nan 8.250 nan 0.000 0.528 658 E N 0.391 120.598 120.200 0.012 0.000 2.250 658 E HA 0.176 4.525 4.350 -0.001 0.000 0.269 658 E C -0.388 176.222 176.600 0.017 0.000 1.018 658 E CA -0.736 55.673 56.400 0.016 0.000 0.873 658 E CB 1.115 30.829 29.700 0.024 0.000 1.134 658 E HN 0.062 nan 8.360 nan 0.000 0.403 659 T N -0.403 114.160 114.554 0.016 0.000 2.780 659 T HA 0.375 4.725 4.350 -0.001 0.000 0.294 659 T C 0.188 174.906 174.700 0.030 0.000 0.949 659 T CA -0.723 61.387 62.100 0.017 0.000 1.074 659 T CB 0.129 69.003 68.868 0.010 0.000 0.910 659 T HN 0.243 nan 8.240 nan 0.000 0.501 660 L N 3.432 124.681 121.223 0.043 0.000 2.395 660 L HA 0.547 4.887 4.340 -0.001 0.000 0.269 660 L C 0.914 177.809 176.870 0.041 0.000 1.133 660 L CA -0.905 53.970 54.840 0.058 0.000 0.812 660 L CB 0.514 42.633 42.059 0.100 0.000 1.125 660 L HN 0.532 nan 8.230 nan 0.000 0.452 661 R N 2.216 122.737 120.500 0.035 0.000 2.686 661 R HA 0.311 4.651 4.340 -0.001 0.000 0.286 661 R C -0.604 175.701 176.300 0.008 0.000 0.969 661 R CA -1.028 55.082 56.100 0.016 0.000 0.898 661 R CB 1.384 31.693 30.300 0.015 0.000 1.183 661 R HN 0.636 nan 8.270 nan 0.000 0.456 662 N N 0.035 118.712 118.700 -0.037 0.000 2.696 662 N HA -0.143 4.596 4.740 -0.001 0.000 0.256 662 N C -0.675 174.766 175.510 -0.114 0.000 1.031 662 N CA 0.505 53.493 53.050 -0.103 0.000 0.730 662 N CB -1.036 37.442 38.487 -0.013 0.000 0.894 662 N HN 0.295 nan 8.380 nan 0.000 0.544 663 V N 0.890 120.739 119.914 -0.108 0.000 2.405 663 V HA 0.114 4.234 4.120 -0.001 0.000 0.264 663 V C 0.626 176.661 176.094 -0.098 0.000 1.048 663 V CA -0.273 62.017 62.300 -0.016 0.000 0.966 663 V CB -0.055 31.817 31.823 0.083 0.000 1.015 663 V HN 0.228 nan 8.190 nan 0.000 0.477 664 W N 3.783 125.105 121.300 0.035 0.000 2.361 664 W HA 0.592 5.251 4.660 -0.001 0.000 0.309 664 W C -0.331 176.246 176.519 0.097 0.000 1.122 664 W CA -0.562 56.797 57.345 0.023 0.000 1.208 664 W CB 1.549 31.026 29.460 0.028 0.000 1.246 664 W HN 0.283 nan 8.180 nan 0.000 0.490 665 V N 4.552 124.668 119.914 0.337 0.000 2.398 665 V HA 0.290 4.410 4.120 -0.001 0.000 0.286 665 V C 0.102 176.465 176.094 0.448 0.000 1.026 665 V CA -0.890 61.632 62.300 0.370 0.000 0.868 665 V CB 0.652 32.742 31.823 0.445 0.000 0.982 665 V HN 0.475 nan 8.190 nan 0.000 0.443 666 H N 4.283 123.519 119.070 0.277 0.000 2.472 666 H HA 0.590 5.145 4.556 -0.001 0.000 0.338 666 H C -1.009 174.499 175.328 0.300 0.000 1.133 666 H CA -0.818 55.406 56.048 0.294 0.000 1.216 666 H CB 2.668 32.510 29.762 0.133 0.000 1.497 666 H HN 0.386 nan 8.280 nan 0.000 0.500 667 L N 2.643 124.091 121.223 0.376 0.000 2.362 667 L HA 0.382 4.722 4.340 -0.001 0.000 0.275 667 L C -0.900 176.016 176.870 0.078 0.000 0.998 667 L CA -0.238 54.670 54.840 0.113 0.000 0.820 667 L CB 1.611 43.548 42.059 -0.203 0.000 1.270 667 L HN 0.677 nan 8.230 nan 0.000 0.415 668 D N 2.281 122.689 120.400 0.013 0.000 2.626 668 D HA 0.830 5.469 4.640 -0.001 0.000 0.278 668 D C -1.142 175.121 176.300 -0.063 0.000 1.211 668 D CA 0.247 54.240 54.000 -0.011 0.000 0.903 668 D CB 2.605 43.388 40.800 -0.028 0.000 1.408 668 D HN 0.793 nan 8.370 nan 0.000 0.454 669 G N 1.641 110.393 108.800 -0.080 0.000 2.040 669 G HA2 0.197 4.157 3.960 -0.001 0.000 0.195 669 G HA3 0.197 4.157 3.960 -0.001 0.000 0.195 669 G C -3.079 171.725 174.900 -0.160 0.000 2.245 669 G CA -0.842 44.183 45.100 -0.124 0.000 0.911 669 G HN 0.288 nan 8.290 nan 0.000 0.566 670 P HA 0.343 nan 4.420 nan 0.000 0.268 670 P C 1.234 178.361 177.300 -0.289 0.000 1.204 670 P CA 1.692 64.730 63.100 -0.102 0.000 0.768 670 P CB 1.346 33.034 31.700 -0.020 0.000 0.842 671 G N 1.647 110.116 108.800 -0.553 0.000 2.205 671 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.261 671 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.261 671 G C 0.545 174.545 174.900 -1.500 0.000 0.980 671 G CA 0.292 44.671 45.100 -1.202 0.000 0.632 671 G HN 0.429 nan 8.290 nan 0.000 0.533 672 V N -1.104 118.167 119.914 -1.072 0.000 3.058 672 V HA 0.519 4.639 4.120 -0.001 0.000 0.233 672 V C 0.987 176.814 176.094 -0.445 0.000 1.255 672 V CA 1.843 63.761 62.300 -0.637 0.000 1.267 672 V CB 1.174 32.805 31.823 -0.320 0.000 1.049 672 V HN 0.750 nan 8.190 nan 0.000 0.486 673 T N -0.599 113.802 114.554 -0.254 0.000 2.868 673 T HA 0.563 4.913 4.350 -0.001 0.000 0.306 673 T C -1.003 173.871 174.700 0.290 0.000 1.224 673 T CA -0.519 61.664 62.100 0.138 0.000 1.012 673 T CB 2.089 70.984 68.868 0.046 0.000 1.221 673 T HN 0.134 nan 8.240 nan 0.000 0.499 674 R N 2.106 122.834 120.500 0.380 0.000 2.707 674 R HA 0.508 4.847 4.340 -0.001 0.000 0.270 674 R C -2.455 173.941 176.300 0.161 0.000 1.083 674 R CA -1.286 54.965 56.100 0.252 0.000 1.182 674 R CB -0.031 30.379 30.300 0.183 0.000 1.084 674 R HN 0.402 nan 8.270 nan 0.000 0.528 675 P HA 0.092 nan 4.420 nan 0.000 0.268 675 P C -0.834 176.559 177.300 0.155 0.000 1.204 675 P CA 0.710 63.890 63.100 0.133 0.000 0.768 675 P CB 0.624 32.405 31.700 0.134 0.000 0.842 676 M N 2.491 122.207 119.600 0.193 0.000 2.618 676 M HA 0.502 4.981 4.480 -0.001 0.000 0.281 676 M C -0.447 176.021 176.300 0.279 0.000 1.267 676 M CA -0.661 54.786 55.300 0.246 0.000 0.845 676 M CB 3.062 35.883 32.600 0.368 0.000 1.732 676 M HN 0.236 nan 8.290 nan 0.000 0.461 677 K N 0.640 121.125 120.400 0.140 0.000 2.536 677 K HA 0.760 5.080 4.320 -0.001 0.000 0.269 677 K C -1.846 174.593 176.600 -0.268 0.000 0.965 677 K CA -1.130 55.104 56.287 -0.088 0.000 0.860 677 K CB 3.035 35.206 32.500 -0.548 0.000 1.423 677 K HN 0.588 nan 8.250 nan 0.000 0.438 678 K N 2.306 122.398 120.400 -0.513 0.000 2.498 678 K HA 0.374 4.693 4.320 -0.001 0.000 0.254 678 K C -1.491 174.654 176.600 -0.759 0.000 0.933 678 K CA -0.776 55.024 56.287 -0.812 0.000 0.806 678 K CB 2.325 33.799 32.500 -1.709 0.000 1.301 678 K HN 0.768 nan 8.250 nan 0.000 0.432 679 M N 4.032 122.960 119.600 -1.120 0.000 2.363 679 M HA 0.432 4.911 4.480 -0.001 0.000 0.343 679 M C -1.578 174.030 176.300 -1.155 0.000 1.165 679 M CA -0.688 53.788 55.300 -1.374 0.000 1.046 679 M CB 0.747 32.133 32.600 -2.024 0.000 1.648 679 M HN 0.568 nan 8.290 nan 0.000 0.452 680 F N 2.801 122.457 119.950 -0.490 0.000 2.403 680 F HA 0.386 4.913 4.527 -0.001 0.000 0.355 680 F C 0.782 176.429 175.800 -0.255 0.000 1.119 680 F CA -0.774 57.053 58.000 -0.289 0.000 1.007 680 F CB 1.138 40.037 39.000 -0.168 0.000 1.194 680 F HN 0.594 nan 8.300 nan 0.000 0.443 681 R N 2.106 122.547 120.500 -0.098 0.000 2.117 681 R HA -0.132 4.208 4.340 -0.001 0.000 0.243 681 R C -0.233 176.048 176.300 -0.032 0.000 1.143 681 R CA 1.759 57.801 56.100 -0.097 0.000 0.968 681 R CB -0.093 30.159 30.300 -0.079 0.000 0.863 681 R HN 0.799 nan 8.270 nan 0.000 0.444 682 E N -1.387 118.821 120.200 0.013 0.000 2.375 682 E HA 0.359 4.709 4.350 -0.001 0.000 0.280 682 E C -1.208 175.411 176.600 0.031 0.000 0.972 682 E CA -0.732 55.679 56.400 0.019 0.000 0.782 682 E CB 1.274 30.978 29.700 0.006 0.000 1.229 682 E HN 0.023 nan 8.360 nan 0.000 0.439 683 I N 2.060 122.646 120.570 0.026 0.000 2.436 683 I HA 0.453 4.622 4.170 -0.001 0.000 0.289 683 I C 0.039 176.154 176.117 -0.004 0.000 1.010 683 I CA -1.228 60.074 61.300 0.003 0.000 1.098 683 I CB 1.591 39.596 38.000 0.009 0.000 1.266 683 I HN 0.378 nan 8.210 nan 0.000 0.434 684 R N 4.812 125.298 120.500 -0.022 0.000 2.560 684 R HA 0.385 4.725 4.340 -0.001 0.000 0.270 684 R C -2.480 173.799 176.300 -0.035 0.000 1.074 684 R CA -2.016 54.071 56.100 -0.022 0.000 1.140 684 R CB 0.083 30.369 30.300 -0.023 0.000 1.073 684 R HN 0.199 nan 8.270 nan 0.000 0.527 685 P HA -0.126 nan 4.420 nan 0.000 0.259 685 P C 0.353 177.621 177.300 -0.053 0.000 1.163 685 P CA 0.811 63.891 63.100 -0.033 0.000 0.760 685 P CB 0.214 31.901 31.700 -0.021 0.000 0.762 686 N N 0.659 119.313 118.700 -0.076 0.000 2.857 686 N HA -0.194 4.546 4.740 -0.001 0.000 0.242 686 N C -0.659 174.783 175.510 -0.113 0.000 0.983 686 N CA 1.324 54.316 53.050 -0.097 0.000 0.934 686 N CB -1.481 36.967 38.487 -0.066 0.000 1.115 686 N HN 0.307 nan 8.380 nan 0.000 0.593 687 S N -0.327 115.307 115.700 -0.111 0.000 2.576 687 S HA 0.365 4.835 4.470 -0.001 0.000 0.276 687 S C 0.204 174.700 174.600 -0.173 0.000 1.339 687 S CA 0.077 58.209 58.200 -0.113 0.000 1.039 687 S CB 1.385 64.534 63.200 -0.086 0.000 0.902 687 S HN 0.244 nan 8.310 nan 0.000 0.516 688 T N 2.591 117.051 114.554 -0.156 0.000 2.779 688 T HA 0.512 4.862 4.350 -0.001 0.000 0.280 688 T C 0.060 174.657 174.700 -0.171 0.000 0.987 688 T CA -0.667 61.323 62.100 -0.184 0.000 0.966 688 T CB 0.893 69.678 68.868 -0.140 0.000 0.933 688 T HN 0.497 nan 8.240 nan 0.000 0.442 689 V N 1.999 121.773 119.914 -0.234 0.000 2.834 689 V HA 0.728 4.848 4.120 -0.001 0.000 0.313 689 V C -0.404 175.578 176.094 -0.187 0.000 1.060 689 V CA -0.940 61.156 62.300 -0.340 0.000 0.989 689 V CB 1.674 32.916 31.823 -0.968 0.000 1.041 689 V HN 0.874 nan 8.190 nan 0.000 0.459 690 Q N 1.673 121.428 119.800 -0.074 0.000 2.331 690 Q HA 0.474 4.813 4.340 -0.001 0.000 0.272 690 Q C -2.321 173.871 176.000 0.320 0.000 1.062 690 Q CA -0.597 55.265 55.803 0.098 0.000 0.806 690 Q CB 2.693 31.479 28.738 0.079 0.000 1.312 690 Q HN 0.937 nan 8.270 nan 0.000 0.431 691 W N 4.666 126.041 121.300 0.125 0.000 2.756 691 W HA 0.412 5.071 4.660 -0.001 0.000 0.333 691 W C -1.519 175.062 176.519 0.104 0.000 1.025 691 W CA -0.630 56.821 57.345 0.178 0.000 1.246 691 W CB 1.199 30.823 29.460 0.274 0.000 1.358 691 W HN 0.564 nan 8.180 nan 0.000 0.444 692 E N 4.011 124.329 120.200 0.196 0.000 2.191 692 E HA 0.314 4.663 4.350 -0.001 0.000 0.278 692 E C -0.598 175.946 176.600 -0.093 0.000 0.972 692 E CA -0.700 55.689 56.400 -0.018 0.000 0.804 692 E CB 2.231 31.959 29.700 0.046 0.000 1.110 692 E HN 0.207 nan 8.360 nan 0.000 0.394 693 E N 1.776 121.849 120.200 -0.212 0.000 2.246 693 E HA 0.250 4.599 4.350 -0.001 0.000 0.266 693 E C -1.026 175.529 176.600 -0.074 0.000 0.880 693 E CA -0.793 55.516 56.400 -0.151 0.000 0.762 693 E CB 2.446 31.972 29.700 -0.289 0.000 1.180 693 E HN 0.185 nan 8.360 nan 0.000 0.416 694 V N 3.203 123.113 119.914 -0.007 0.000 2.427 694 V HA 0.156 4.276 4.120 -0.001 0.000 0.268 694 V C 0.195 176.298 176.094 0.015 0.000 1.046 694 V CA -0.330 61.972 62.300 0.004 0.000 0.970 694 V CB 0.535 32.373 31.823 0.026 0.000 1.001 694 V HN 0.703 nan 8.190 nan 0.000 0.476 695 C N 5.405 124.708 119.300 0.005 0.000 2.435 695 C HA 0.652 5.112 4.460 -0.001 0.000 0.333 695 C C 0.463 175.485 174.990 0.053 0.000 1.202 695 C CA -0.892 58.144 59.018 0.031 0.000 1.830 695 C CB 1.267 28.997 27.740 -0.017 0.000 2.326 695 C HN 0.922 nan 8.230 nan 0.000 0.507 696 R N 2.494 123.064 120.500 0.116 0.000 2.407 696 R HA 0.353 4.693 4.340 -0.001 0.000 0.298 696 R C -2.719 173.703 176.300 0.203 0.000 1.166 696 R CA -1.037 55.141 56.100 0.130 0.000 1.006 696 R CB 0.930 31.314 30.300 0.140 0.000 1.145 696 R HN 0.496 nan 8.270 nan 0.000 0.538 697 P HA -0.014 nan 4.420 nan 0.000 0.269 697 P C -0.520 176.877 177.300 0.162 0.000 1.217 697 P CA -0.008 63.062 63.100 -0.051 0.000 0.783 697 P CB 0.255 31.885 31.700 -0.117 0.000 0.898 698 W N 0.013 121.320 121.300 0.013 0.000 2.714 698 W HA 0.523 5.183 4.660 -0.001 0.000 0.353 698 W C -1.220 175.308 176.519 0.015 0.000 0.999 698 W CA -0.330 57.025 57.345 0.017 0.000 1.629 698 W CB -0.209 29.265 29.460 0.022 0.000 1.106 698 W HN -0.150 nan 8.180 nan 0.000 0.545 699 V N 2.707 122.527 119.914 -0.156 0.000 2.709 699 V HA 0.551 4.670 4.120 -0.001 0.000 0.308 699 V C 0.303 176.340 176.094 -0.095 0.000 1.062 699 V CA -0.713 61.521 62.300 -0.110 0.000 0.901 699 V CB 1.684 33.391 31.823 -0.194 0.000 1.003 699 V HN 0.147 nan 8.190 nan 0.000 0.425 700 S N 2.756 118.433 115.700 -0.039 0.000 2.722 700 S HA 1.005 5.475 4.470 -0.001 0.000 0.292 700 S C 0.191 174.778 174.600 -0.022 0.000 1.135 700 S CA 0.173 58.357 58.200 -0.027 0.000 1.003 700 S CB 1.798 64.996 63.200 -0.003 0.000 1.067 700 S HN 2.347 nan 8.310 nan 0.000 0.546 701 G N 0.325 109.123 108.800 -0.003 0.000 2.466 701 G HA2 0.035 3.995 3.960 -0.001 0.000 0.316 701 G HA3 0.035 3.995 3.960 -0.001 0.000 0.316 701 G C -0.881 174.057 174.900 0.063 0.000 1.270 701 G CA -0.339 44.774 45.100 0.022 0.000 0.982 701 G HN 1.410 nan 8.290 nan 0.000 0.506 702 H N 2.113 121.161 119.070 -0.037 0.000 2.955 702 H HA 0.645 5.200 4.556 -0.001 0.000 0.290 702 H C 0.836 176.133 175.328 -0.050 0.000 1.047 702 H CA 0.214 56.239 56.048 -0.039 0.000 1.484 702 H CB 0.199 29.943 29.762 -0.029 0.000 1.501 702 H HN 0.590 nan 8.280 nan 0.000 0.521 703 R N 3.551 124.086 120.500 0.058 0.000 2.943 703 R HA 0.479 4.819 4.340 -0.001 0.000 0.246 703 R C -0.592 175.642 176.300 -0.110 0.000 1.201 703 R CA -1.081 54.947 56.100 -0.121 0.000 1.056 703 R CB 1.501 31.732 30.300 -0.115 0.000 1.243 703 R HN 0.693 nan 8.270 nan 0.000 0.498 704 K N 0.462 120.779 120.400 -0.138 0.000 2.498 704 K HA 0.438 4.757 4.320 -0.001 0.000 0.254 704 K C -1.519 175.022 176.600 -0.097 0.000 0.933 704 K CA -0.550 55.682 56.287 -0.092 0.000 0.806 704 K CB 1.550 33.978 32.500 -0.120 0.000 1.301 704 K HN 0.379 nan 8.250 nan 0.000 0.432 705 L N 5.557 126.737 121.223 -0.072 0.000 2.307 705 L HA 0.582 4.921 4.340 -0.001 0.000 0.284 705 L C -0.281 176.554 176.870 -0.059 0.000 1.023 705 L CA -0.817 53.977 54.840 -0.077 0.000 0.810 705 L CB 1.296 43.308 42.059 -0.079 0.000 1.231 705 L HN 0.610 nan 8.230 nan 0.000 0.423 706 I N 0.546 121.082 120.570 -0.057 0.000 2.689 706 I HA 0.999 5.169 4.170 -0.001 0.000 0.299 706 I C -0.846 175.275 176.117 0.008 0.000 1.059 706 I CA -0.670 60.610 61.300 -0.033 0.000 1.055 706 I CB 2.232 40.190 38.000 -0.070 0.000 1.243 706 I HN 0.598 nan 8.210 nan 0.000 0.425 707 A N 3.468 126.321 122.820 0.055 0.000 2.539 707 A HA 0.885 5.204 4.320 -0.001 0.000 0.296 707 A C -0.695 176.972 177.584 0.139 0.000 1.073 707 A CA -0.341 51.759 52.037 0.104 0.000 0.700 707 A CB 1.919 20.974 19.000 0.092 0.000 1.296 707 A HN 1.041 nan 8.150 nan 0.000 0.405 708 S N 1.208 116.979 115.700 0.119 0.000 2.599 708 S HA 0.847 5.316 4.470 -0.001 0.000 0.287 708 S C -0.650 173.890 174.600 -0.100 0.000 1.105 708 S CA -0.652 57.523 58.200 -0.042 0.000 0.899 708 S CB 1.880 65.067 63.200 -0.021 0.000 1.100 708 S HN 1.255 nan 8.310 nan 0.000 0.482 709 M N 2.506 121.917 119.600 -0.314 0.000 2.395 709 M HA 0.638 5.117 4.480 -0.001 0.000 0.307 709 M C -1.422 174.723 176.300 -0.258 0.000 1.091 709 M CA -0.236 54.891 55.300 -0.288 0.000 0.919 709 M CB 1.828 34.036 32.600 -0.653 0.000 1.662 709 M HN 0.982 nan 8.290 nan 0.000 0.440 710 S N 3.071 118.724 115.700 -0.079 0.000 2.547 710 S HA 0.866 5.336 4.470 -0.001 0.000 0.281 710 S C -0.813 173.826 174.600 0.065 0.000 1.118 710 S CA -0.147 58.029 58.200 -0.040 0.000 0.947 710 S CB 1.422 64.596 63.200 -0.044 0.000 1.053 710 S HN 0.933 nan 8.310 nan 0.000 0.482 711 S N 2.730 118.460 115.700 0.049 0.000 2.841 711 S HA 0.553 5.022 4.470 -0.001 0.000 0.318 711 S C -0.174 174.484 174.600 0.097 0.000 1.127 711 S CA -0.579 57.669 58.200 0.080 0.000 0.883 711 S CB 0.662 63.894 63.200 0.053 0.000 1.271 711 S HN 0.562 nan 8.310 nan 0.000 0.567 712 D N 0.710 121.160 120.400 0.082 0.000 2.347 712 D HA 0.121 4.760 4.640 -0.001 0.000 0.215 712 D C 1.575 177.917 176.300 0.070 0.000 0.976 712 D CA 1.317 55.363 54.000 0.077 0.000 0.884 712 D CB 0.096 40.929 40.800 0.055 0.000 0.915 712 D HN 0.547 nan 8.370 nan 0.000 0.526 713 S N -0.602 115.138 115.700 0.068 0.000 3.386 713 S HA 0.109 4.578 4.470 -0.001 0.000 0.181 713 S C 0.437 175.079 174.600 0.070 0.000 0.763 713 S CA -0.486 57.755 58.200 0.068 0.000 0.847 713 S CB 0.204 63.440 63.200 0.060 0.000 0.980 713 S HN 0.046 nan 8.310 nan 0.000 0.676 714 L N 4.664 125.924 121.223 0.063 0.000 2.499 714 L HA 0.428 4.767 4.340 -0.001 0.000 0.273 714 L C 0.138 177.015 176.870 0.011 0.000 1.195 714 L CA 0.384 55.255 54.840 0.052 0.000 0.882 714 L CB -0.180 41.924 42.059 0.075 0.000 1.133 714 L HN 0.754 nan 8.230 nan 0.000 0.483 715 R N 2.361 122.862 120.500 0.001 0.000 2.902 715 R HA 0.376 4.716 4.340 -0.001 0.000 0.264 715 R C -0.552 175.720 176.300 -0.047 0.000 1.059 715 R CA -0.756 55.309 56.100 -0.059 0.000 0.935 715 R CB 0.357 30.650 30.300 -0.013 0.000 1.325 715 R HN 0.536 nan 8.270 nan 0.000 0.438 716 H N -1.686 117.206 119.070 -0.296 0.000 2.933 716 H HA -0.076 4.480 4.556 -0.001 0.000 0.301 716 H C -1.742 173.242 175.328 -0.573 0.000 1.280 716 H CA 0.696 56.512 56.048 -0.387 0.000 1.155 716 H CB -0.730 28.916 29.762 -0.193 0.000 1.379 716 H HN 0.355 nan 8.280 nan 0.000 0.419 717 V N 2.013 121.415 119.914 -0.853 0.000 2.384 717 V HA 0.490 4.609 4.120 -0.001 0.000 0.287 717 V C -0.253 175.259 176.094 -0.971 0.000 1.020 717 V CA -0.399 61.502 62.300 -0.665 0.000 0.850 717 V CB 1.047 32.590 31.823 -0.465 0.000 0.987 717 V HN 0.292 nan 8.190 nan 0.000 0.436 718 Y N 2.160 122.393 120.300 -0.112 0.000 2.605 718 Y HA 0.916 5.466 4.550 -0.001 0.000 0.343 718 Y C 0.577 176.458 175.900 -0.032 0.000 1.036 718 Y CA -0.793 57.251 58.100 -0.094 0.000 1.065 718 Y CB 2.559 40.945 38.460 -0.123 0.000 1.288 718 Y HN 0.743 nan 8.280 nan 0.000 0.481 719 G N 0.013 108.903 108.800 0.150 0.000 2.660 719 G HA2 0.656 4.616 3.960 -0.001 0.000 0.290 719 G HA3 0.656 4.616 3.960 -0.001 0.000 0.290 719 G C -1.816 173.117 174.900 0.054 0.000 1.432 719 G CA -0.970 44.183 45.100 0.089 0.000 0.807 719 G HN 0.706 nan 8.290 nan 0.000 0.485 720 E N -1.260 118.955 120.200 0.026 0.000 2.449 720 E HA 0.734 5.084 4.350 -0.001 0.000 0.278 720 E C -1.931 174.668 176.600 -0.002 0.000 1.059 720 E CA -1.107 55.294 56.400 0.001 0.000 0.854 720 E CB 2.226 31.916 29.700 -0.018 0.000 1.465 720 E HN 0.560 nan 8.360 nan 0.000 0.462 721 L N 1.472 122.690 121.223 -0.009 0.000 2.614 721 L HA 0.342 4.681 4.340 -0.001 0.000 0.264 721 L C -1.644 175.234 176.870 0.013 0.000 0.940 721 L CA -0.696 54.142 54.840 -0.003 0.000 0.903 721 L CB 1.933 43.984 42.059 -0.014 0.000 1.306 721 L HN 0.725 nan 8.230 nan 0.000 0.410 722 D N 3.797 124.223 120.400 0.043 0.000 2.350 722 D HA 0.421 5.061 4.640 -0.001 0.000 0.249 722 D C -0.250 176.090 176.300 0.067 0.000 1.119 722 D CA 0.252 54.329 54.000 0.129 0.000 0.886 722 D CB 2.342 43.230 40.800 0.146 0.000 1.195 722 D HN 0.311 nan 8.370 nan 0.000 0.437 723 V N -0.435 119.538 119.914 0.097 0.000 2.841 723 V HA 0.359 4.479 4.120 -0.001 0.000 0.310 723 V C -0.721 175.409 176.094 0.061 0.000 1.090 723 V CA -1.048 61.272 62.300 0.034 0.000 0.930 723 V CB 2.428 34.247 31.823 -0.006 0.000 1.014 723 V HN 0.253 nan 8.190 nan 0.000 0.425 724 Q N 3.749 123.555 119.800 0.010 0.000 2.360 724 Q HA 0.528 4.868 4.340 -0.001 0.000 0.254 724 Q C -0.837 175.161 176.000 -0.005 0.000 0.975 724 Q CA -0.431 55.376 55.803 0.006 0.000 0.912 724 Q CB 1.650 30.372 28.738 -0.026 0.000 1.212 724 Q HN 0.722 nan 8.270 nan 0.000 0.452 725 I N 3.383 123.950 120.570 -0.005 0.000 2.315 725 I HA 0.189 4.359 4.170 -0.001 0.000 0.291 725 I C 0.634 176.744 176.117 -0.011 0.000 1.006 725 I CA -0.579 60.709 61.300 -0.020 0.000 1.265 725 I CB 0.992 38.966 38.000 -0.044 0.000 1.387 725 I HN 0.302 nan 8.210 nan 0.000 0.475 726 Q N 5.668 125.463 119.800 -0.009 0.000 2.312 726 Q HA 0.402 4.741 4.340 -0.001 0.000 0.236 726 Q C 0.236 176.237 176.000 0.002 0.000 0.965 726 Q CA -0.508 55.293 55.803 -0.003 0.000 0.894 726 Q CB 1.398 30.134 28.738 -0.004 0.000 1.225 726 Q HN 0.479 nan 8.270 nan 0.000 0.478 727 R N 0.397 120.900 120.500 0.005 0.000 2.747 727 R HA 0.129 4.468 4.340 -0.001 0.000 0.278 727 R C 1.571 177.877 176.300 0.011 0.000 1.153 727 R CA -0.053 56.054 56.100 0.011 0.000 1.206 727 R CB 0.389 30.696 30.300 0.011 0.000 1.161 727 R HN 0.635 nan 8.270 nan 0.000 0.589 728 R N -0.015 120.493 120.500 0.013 0.000 2.038 728 R HA 0.185 4.525 4.340 -0.001 0.000 0.214 728 R C -0.862 175.441 176.300 0.004 0.000 1.249 728 R CA -0.114 55.992 56.100 0.010 0.000 1.025 728 R CB -1.674 28.636 30.300 0.016 0.000 0.911 728 R HN 0.469 nan 8.270 nan 0.000 0.456 729 P HA 0.393 nan 4.420 nan 0.000 0.335 729 P C -0.536 176.759 177.300 -0.008 0.000 1.388 729 P CA -0.210 62.887 63.100 -0.005 0.000 0.859 729 P CB 0.578 32.272 31.700 -0.010 0.000 2.107 730 S N 0.000 115.693 115.700 -0.012 0.000 2.498 730 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 730 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 730 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 730 S HN 0.000 nan 8.310 nan 0.000 0.517