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 1ms4_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFDN SLIDTVAKYS VDDGETWETQ IAIKNSRASS VSRVVDPTVI DATA SEQUENCE VKGNKLYVLV GSYNSSRSYW TSHGDARDWD ILLAVGEVTK STAGGKITAS DATA SEQUENCE IKWGSPVSLK EFFPAEMEGM HTNQFLGGAG VAIVASNGNL VYPVQVTNKK DATA SEQUENCE KQVFSKIFYS EDEGKTWKFG KGRSAFGCSE PVALEWEGKL IINTRVDYRR DATA SEQUENCE RLVYESSDMG NTWLEAVGTL SRVWGPSPKS NQPGSQSSFT AVTIEGMRVM DATA SEQUENCE LFTHPLNFKG RWLRDRLNLW LTDNQRIYNV GQVSIGDENS AYSSVLYKDD DATA SEQUENCE KLYCLHEINS NEVYSLVFAR LVGELRIIKS VLQSWKNWDS HLSSIcTPAX DATA SEQUENCE XXXXXXXXGc GPAVTTVGLV GFLSHSATKT EWEDAYRCVN ASTANAERVP DATA SEQUENCE NGLKFAGVGG GALWPVSQQG QNQRYHFANH AFTLVASVTI HEVPKGASPL DATA SEQUENCE LGASLDSSGG KKLLGLSYDK RHQWQPIYGS TPVTPTGSWE MGKRYHVVLT DATA SEQUENCE MANKIGSVYI DGEPLEGSGQ TVVPDERTPD ISHFYVGGYK RSGMPTDSRV DATA SEQUENCE TVNNVLLYNR QLNAEEIRTL FLSQDLIGTE AH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.862 176.870 -0.013 0.000 1.165 1 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 1 L CB 0.000 42.051 42.059 -0.014 0.000 0.961 2 A N 2.047 124.856 122.820 -0.017 0.000 2.526 2 A HA 0.542 4.862 4.320 0.000 0.000 0.267 2 A C -2.049 175.528 177.584 -0.011 0.000 1.095 2 A CA -0.457 51.570 52.037 -0.017 0.000 0.775 2 A CB -1.410 17.575 19.000 -0.024 0.000 1.036 2 A HN 0.672 nan 8.150 nan 0.000 0.510 3 P HA 0.171 nan 4.420 nan 0.000 0.260 3 P C 1.233 178.528 177.300 -0.008 0.000 1.172 3 P CA 1.897 64.994 63.100 -0.005 0.000 0.760 3 P CB 0.540 32.238 31.700 -0.003 0.000 0.773 4 G N 2.012 110.809 108.800 -0.005 0.000 2.253 4 G HA2 -0.254 3.706 3.960 0.000 0.000 0.251 4 G HA3 -0.254 3.706 3.960 0.000 0.000 0.251 4 G C 0.511 175.404 174.900 -0.010 0.000 0.998 4 G CA 0.092 45.188 45.100 -0.007 0.000 0.621 4 G HN 0.595 nan 8.290 nan 0.000 0.524 5 S N 0.684 116.375 115.700 -0.014 0.000 2.580 5 S HA 0.658 5.128 4.470 0.000 0.000 0.274 5 S C 0.441 175.037 174.600 -0.006 0.000 1.329 5 S CA 0.520 58.708 58.200 -0.021 0.000 1.036 5 S CB 1.455 64.640 63.200 -0.025 0.000 0.919 5 S HN 1.620 nan 8.310 nan 0.000 0.515 6 S N 2.014 117.712 115.700 -0.004 0.000 2.618 6 S HA 0.824 5.294 4.470 0.000 0.000 0.277 6 S C -0.987 173.628 174.600 0.024 0.000 1.138 6 S CA -1.272 56.939 58.200 0.018 0.000 0.844 6 S CB 1.834 65.055 63.200 0.036 0.000 1.127 6 S HN 0.891 nan 8.310 nan 0.000 0.474 7 R N -0.613 119.909 120.500 0.038 0.000 2.808 7 R HA 0.868 5.209 4.340 0.000 0.000 0.272 7 R C -1.300 175.049 176.300 0.081 0.000 0.995 7 R CA -1.060 55.069 56.100 0.050 0.000 0.917 7 R CB 1.515 31.818 30.300 0.004 0.000 1.217 7 R HN 0.892 nan 8.270 nan 0.000 0.471 8 V N -2.165 117.825 119.914 0.128 0.000 2.914 8 V HA 0.497 4.618 4.120 0.000 0.000 0.314 8 V C -0.400 175.732 176.094 0.063 0.000 1.084 8 V CA -1.032 61.328 62.300 0.101 0.000 0.963 8 V CB 1.842 33.747 31.823 0.137 0.000 1.025 8 V HN 0.987 nan 8.190 nan 0.000 0.432 9 E N 1.614 121.823 120.200 0.014 0.000 1.893 9 E HA 0.239 4.589 4.350 0.000 0.000 0.269 9 E C 0.320 176.880 176.600 -0.067 0.000 1.129 9 E CA -0.516 55.874 56.400 -0.017 0.000 0.904 9 E CB 1.195 30.883 29.700 -0.020 0.000 1.077 9 E HN 0.758 nan 8.360 nan 0.000 0.407 10 L N 5.158 126.329 121.223 -0.087 0.000 2.068 10 L HA 0.115 4.455 4.340 0.000 0.000 0.204 10 L C 0.043 176.589 176.870 -0.541 0.000 1.076 10 L CA 1.590 56.236 54.840 -0.324 0.000 0.753 10 L CB 0.078 41.911 42.059 -0.377 0.000 0.910 10 L HN 0.451 nan 8.230 nan 0.000 0.439 11 F N 1.315 120.980 119.950 -0.475 0.000 2.309 11 F HA 0.325 4.852 4.527 0.000 0.000 0.366 11 F C 0.436 175.967 175.800 -0.448 0.000 1.104 11 F CA -0.504 57.022 58.000 -0.790 0.000 1.179 11 F CB 0.255 38.606 39.000 -1.082 0.000 1.437 11 F HN -0.136 nan 8.300 nan 0.000 0.528 12 K N 5.256 125.575 120.400 -0.135 0.000 2.267 12 K HA 0.256 4.576 4.320 0.000 0.000 0.282 12 K C 0.431 177.148 176.600 0.195 0.000 1.078 12 K CA -0.752 55.556 56.287 0.036 0.000 0.903 12 K CB 0.582 33.073 32.500 -0.015 0.000 1.111 12 K HN 0.628 nan 8.250 nan 0.000 0.475 13 R N 4.104 124.723 120.500 0.198 0.000 2.638 13 R HA -0.110 4.230 4.340 0.000 0.000 0.268 13 R C -0.350 175.970 176.300 0.033 0.000 1.006 13 R CA 0.459 56.638 56.100 0.131 0.000 1.088 13 R CB 0.095 30.403 30.300 0.013 0.000 0.950 13 R HN 0.813 nan 8.270 nan 0.000 0.419 14 Q N -0.316 119.472 119.800 -0.020 0.000 2.439 14 Q HA -0.297 4.044 4.340 0.000 0.000 0.247 14 Q C 0.334 176.351 176.000 0.029 0.000 0.899 14 Q CA 1.402 57.194 55.803 -0.019 0.000 1.201 14 Q CB -1.124 27.576 28.738 -0.064 0.000 1.608 14 Q HN 0.877 nan 8.270 nan 0.000 0.563 15 S N -1.931 113.812 115.700 0.072 0.000 3.552 15 S HA 0.145 4.615 4.470 0.000 0.000 0.251 15 S C 0.224 174.868 174.600 0.074 0.000 1.119 15 S CA 0.262 58.496 58.200 0.056 0.000 0.830 15 S CB 0.631 63.849 63.200 0.030 0.000 0.946 15 S HN 0.270 nan 8.310 nan 0.000 0.470 16 S N 2.646 118.417 115.700 0.118 0.000 2.562 16 S HA 0.338 4.808 4.470 0.000 0.000 0.281 16 S C -0.476 174.218 174.600 0.157 0.000 1.333 16 S CA 0.159 58.406 58.200 0.079 0.000 1.052 16 S CB 0.624 63.807 63.200 -0.028 0.000 0.884 16 S HN 0.360 nan 8.310 nan 0.000 0.506 17 K N 1.471 121.924 120.400 0.088 0.000 2.156 17 K HA 0.657 4.978 4.320 0.000 0.000 0.254 17 K C -0.522 176.151 176.600 0.121 0.000 0.950 17 K CA -0.819 55.536 56.287 0.114 0.000 0.849 17 K CB 1.535 34.081 32.500 0.077 0.000 1.100 17 K HN 0.464 nan 8.250 nan 0.000 0.434 18 V N -1.231 118.789 119.914 0.176 0.000 3.001 18 V HA 0.560 4.680 4.120 0.000 0.000 0.314 18 V C -2.728 173.488 176.094 0.204 0.000 1.099 18 V CA -2.902 59.507 62.300 0.183 0.000 0.989 18 V CB 1.703 33.661 31.823 0.224 0.000 1.040 18 V HN 0.600 nan 8.190 nan 0.000 0.434 19 P HA 0.211 nan 4.420 nan 0.000 0.273 19 P C -0.878 176.532 177.300 0.183 0.000 1.428 19 P CA 0.225 63.412 63.100 0.145 0.000 0.995 19 P CB -0.222 31.533 31.700 0.093 0.000 1.286 20 F N 3.650 123.653 119.950 0.087 0.000 2.434 20 F HA 0.238 4.766 4.527 0.000 0.000 0.358 20 F C 0.443 176.239 175.800 -0.006 0.000 1.136 20 F CA -0.748 57.278 58.000 0.043 0.000 1.157 20 F CB 0.514 39.492 39.000 -0.035 0.000 1.167 20 F HN 0.216 nan 8.300 nan 0.000 0.539 21 E N 7.265 127.094 120.200 -0.618 0.000 2.134 21 E HA 0.271 4.621 4.350 0.000 0.000 0.278 21 E C -1.354 174.807 176.600 -0.731 0.000 0.959 21 E CA -0.722 55.380 56.400 -0.497 0.000 0.783 21 E CB 0.934 30.491 29.700 -0.239 0.000 1.095 21 E HN 0.717 nan 8.360 nan 0.000 0.399 22 K N 4.437 124.509 120.400 -0.548 0.000 2.565 22 K HA 0.153 4.473 4.320 0.000 0.000 0.249 22 K C -1.214 175.282 176.600 -0.172 0.000 0.958 22 K CA -0.446 55.615 56.287 -0.377 0.000 0.806 22 K CB 0.928 33.236 32.500 -0.320 0.000 1.194 22 K HN 0.530 nan 8.250 nan 0.000 0.434 23 D N 3.198 123.525 120.400 -0.121 0.000 2.800 23 D HA -0.168 4.472 4.640 0.000 0.000 0.232 23 D C 0.619 176.884 176.300 -0.060 0.000 1.137 23 D CA 1.897 55.855 54.000 -0.069 0.000 0.718 23 D CB -1.141 39.632 40.800 -0.045 0.000 1.084 23 D HN 1.107 nan 8.370 nan 0.000 0.432 24 G N -0.086 108.671 108.800 -0.071 0.000 2.179 24 G HA2 -0.369 3.592 3.960 0.000 0.000 0.260 24 G HA3 -0.369 3.592 3.960 0.000 0.000 0.260 24 G C 0.286 175.156 174.900 -0.050 0.000 0.977 24 G CA 0.866 45.935 45.100 -0.052 0.000 0.641 24 G HN 0.655 nan 8.290 nan 0.000 0.533 25 K N 0.340 120.699 120.400 -0.067 0.000 2.244 25 K HA 0.663 4.983 4.320 0.000 0.000 0.260 25 K C -0.436 176.120 176.600 -0.073 0.000 0.951 25 K CA -0.744 55.514 56.287 -0.048 0.000 0.826 25 K CB 1.944 34.428 32.500 -0.026 0.000 1.108 25 K HN 0.052 nan 8.250 nan 0.000 0.433 26 V N 3.024 122.916 119.914 -0.037 0.000 2.513 26 V HA 0.463 4.583 4.120 0.000 0.000 0.299 26 V C -0.568 175.545 176.094 0.032 0.000 1.035 26 V CA -0.585 61.699 62.300 -0.027 0.000 0.889 26 V CB 1.795 33.611 31.823 -0.010 0.000 0.988 26 V HN 0.919 nan 8.190 nan 0.000 0.440 27 T N 2.863 117.469 114.554 0.086 0.000 2.916 27 T HA 0.335 4.686 4.350 0.000 0.000 0.298 27 T C -0.754 174.041 174.700 0.158 0.000 1.031 27 T CA -0.669 61.506 62.100 0.125 0.000 0.993 27 T CB 1.765 70.729 68.868 0.161 0.000 1.045 27 T HN 0.578 nan 8.240 nan 0.000 0.454 28 E N 2.559 122.826 120.200 0.113 0.000 2.328 28 E HA 0.151 4.501 4.350 0.000 0.000 0.265 28 E C -0.025 176.648 176.600 0.122 0.000 1.057 28 E CA 0.136 56.604 56.400 0.113 0.000 0.916 28 E CB 0.713 30.458 29.700 0.074 0.000 0.993 28 E HN 0.377 nan 8.360 nan 0.000 0.446 29 R N 2.401 122.999 120.500 0.164 0.000 2.561 29 R HA 0.316 4.656 4.340 0.000 0.000 0.297 29 R C -0.813 175.575 176.300 0.147 0.000 0.969 29 R CA -0.723 55.459 56.100 0.136 0.000 0.879 29 R CB 1.258 31.639 30.300 0.134 0.000 1.178 29 R HN 0.220 nan 8.270 nan 0.000 0.445 30 V N 4.782 124.753 119.914 0.094 0.000 2.585 30 V HA 0.070 4.190 4.120 0.000 0.000 0.296 30 V C 0.081 176.227 176.094 0.087 0.000 1.035 30 V CA -0.033 62.320 62.300 0.089 0.000 1.084 30 V CB 1.292 33.149 31.823 0.057 0.000 0.953 30 V HN 0.450 nan 8.190 nan 0.000 0.483 31 V N 5.012 124.953 119.914 0.045 0.000 2.398 31 V HA 0.224 4.345 4.120 0.000 0.000 0.286 31 V C 1.075 177.076 176.094 -0.156 0.000 1.026 31 V CA -0.366 61.836 62.300 -0.164 0.000 0.868 31 V CB 1.137 32.648 31.823 -0.521 0.000 0.982 31 V HN 0.986 nan 8.190 nan 0.000 0.443 32 H N 3.108 122.049 119.070 -0.216 0.000 2.276 32 H HA 0.047 4.604 4.556 0.000 0.000 0.301 32 H C 0.430 175.669 175.328 -0.147 0.000 1.073 32 H CA 1.538 57.511 56.048 -0.124 0.000 1.311 32 H CB 0.661 30.377 29.762 -0.077 0.000 1.379 32 H HN 0.584 nan 8.280 nan 0.000 0.494 33 S N -0.539 115.100 115.700 -0.102 0.000 2.536 33 S HA 0.446 4.917 4.470 0.000 0.000 0.287 33 S C -1.444 172.923 174.600 -0.388 0.000 1.101 33 S CA -0.640 57.499 58.200 -0.100 0.000 0.950 33 S CB 1.776 65.085 63.200 0.182 0.000 1.056 33 S HN 0.214 nan 8.310 nan 0.000 0.481 34 F N 1.951 121.891 119.950 -0.018 0.000 2.467 34 F HA 0.637 5.165 4.527 0.000 0.000 0.336 34 F C 0.823 176.528 175.800 -0.159 0.000 1.123 34 F CA -0.676 57.257 58.000 -0.111 0.000 0.964 34 F CB 1.378 40.314 39.000 -0.106 0.000 1.136 34 F HN 0.252 nan 8.300 nan 0.000 0.447 35 R N 1.341 121.795 120.500 -0.078 0.000 2.947 35 R HA 0.667 5.007 4.340 0.000 0.000 0.253 35 R C -0.882 175.364 176.300 -0.090 0.000 1.208 35 R CA -1.327 54.675 56.100 -0.163 0.000 1.012 35 R CB 1.574 31.646 30.300 -0.380 0.000 1.267 35 R HN 0.702 nan 8.270 nan 0.000 0.473 36 L N 1.049 122.284 121.223 0.020 0.000 3.533 36 L HA -0.128 4.212 4.340 0.000 0.000 0.477 36 L C -2.173 174.722 176.870 0.042 0.000 1.306 36 L CA -0.412 54.509 54.840 0.135 0.000 0.850 36 L CB -1.123 40.982 42.059 0.077 0.000 1.654 36 L HN 0.403 nan 8.230 nan 0.000 0.863 37 P HA 0.305 nan 4.420 nan 0.000 0.268 37 P C -0.447 176.881 177.300 0.046 0.000 1.204 37 P CA 0.187 63.276 63.100 -0.018 0.000 0.768 37 P CB 1.490 33.196 31.700 0.011 0.000 0.842 38 A N 3.864 126.715 122.820 0.051 0.000 2.414 38 A HA 0.511 4.832 4.320 0.000 0.000 0.286 38 A C -1.467 176.206 177.584 0.148 0.000 1.073 38 A CA -0.603 51.500 52.037 0.110 0.000 0.727 38 A CB 0.928 20.000 19.000 0.119 0.000 1.215 38 A HN 0.472 nan 8.150 nan 0.000 0.430 39 L N 4.248 125.579 121.223 0.180 0.000 2.298 39 L HA 0.792 5.132 4.340 0.000 0.000 0.284 39 L C -0.283 176.717 176.870 0.217 0.000 1.013 39 L CA -0.281 54.699 54.840 0.234 0.000 0.824 39 L CB 1.469 43.691 42.059 0.272 0.000 1.221 39 L HN 1.002 nan 8.230 nan 0.000 0.418 40 V N 2.028 122.071 119.914 0.214 0.000 3.160 40 V HA 0.743 4.864 4.120 0.000 0.000 0.310 40 V C -1.140 175.037 176.094 0.138 0.000 1.181 40 V CA -0.866 61.538 62.300 0.172 0.000 1.047 40 V CB 2.137 34.058 31.823 0.164 0.000 1.068 40 V HN 0.799 nan 8.190 nan 0.000 0.441 41 N N 0.475 119.236 118.700 0.101 0.000 2.372 41 N HA 0.659 5.399 4.740 0.000 0.000 0.285 41 N C -1.427 174.111 175.510 0.047 0.000 1.008 41 N CA -0.459 52.625 53.050 0.057 0.000 0.880 41 N CB 1.922 40.429 38.487 0.034 0.000 1.239 41 N HN 0.743 nan 8.380 nan 0.000 0.484 42 V N 3.413 123.341 119.914 0.024 0.000 2.349 42 V HA 0.263 4.383 4.120 0.000 0.000 0.284 42 V C -0.033 176.048 176.094 -0.022 0.000 1.014 42 V CA -0.676 61.626 62.300 0.003 0.000 0.826 42 V CB 0.839 32.652 31.823 -0.016 0.000 1.009 42 V HN 0.907 nan 8.190 nan 0.000 0.431 43 D N 4.366 124.754 120.400 -0.019 0.000 2.701 43 D HA -0.195 4.446 4.640 0.000 0.000 0.235 43 D C 1.309 177.588 176.300 -0.035 0.000 1.155 43 D CA 2.208 56.191 54.000 -0.029 0.000 0.649 43 D CB -1.023 39.753 40.800 -0.040 0.000 1.050 43 D HN 1.386 nan 8.370 nan 0.000 0.425 44 G N -2.433 106.347 108.800 -0.033 0.000 2.234 44 G HA2 -0.268 3.692 3.960 0.000 0.000 0.235 44 G HA3 -0.268 3.692 3.960 0.000 0.000 0.235 44 G C 0.342 175.207 174.900 -0.057 0.000 0.997 44 G CA 0.110 45.184 45.100 -0.043 0.000 0.623 44 G HN 0.906 nan 8.290 nan 0.000 0.514 45 V N 2.698 122.582 119.914 -0.051 0.000 2.406 45 V HA 0.579 4.699 4.120 0.000 0.000 0.272 45 V C 0.968 177.042 176.094 -0.034 0.000 1.043 45 V CA -0.231 62.038 62.300 -0.052 0.000 0.915 45 V CB 1.443 33.236 31.823 -0.051 0.000 0.988 45 V HN 0.372 nan 8.190 nan 0.000 0.466 46 M N 4.567 124.115 119.600 -0.087 0.000 2.233 46 M HA 0.424 4.905 4.480 0.000 0.000 0.350 46 M C -0.794 175.587 176.300 0.135 0.000 1.176 46 M CA 0.002 55.278 55.300 -0.039 0.000 1.150 46 M CB 1.356 33.826 32.600 -0.217 0.000 1.530 46 M HN 0.426 nan 8.290 nan 0.000 0.459 47 V N 2.529 122.597 119.914 0.257 0.000 2.569 47 V HA 0.623 4.744 4.120 0.000 0.000 0.301 47 V C -0.570 175.767 176.094 0.404 0.000 1.044 47 V CA -0.914 61.612 62.300 0.377 0.000 0.874 47 V CB 1.639 33.633 31.823 0.285 0.000 1.002 47 V HN 0.921 nan 8.190 nan 0.000 0.424 48 A N 6.336 129.435 122.820 0.465 0.000 2.271 48 A HA 0.905 5.225 4.320 0.000 0.000 0.317 48 A C -0.780 176.978 177.584 0.290 0.000 1.245 48 A CA -0.362 51.881 52.037 0.343 0.000 0.857 48 A CB 0.531 19.715 19.000 0.306 0.000 1.175 48 A HN 0.779 nan 8.150 nan 0.000 0.512 49 I N 1.631 122.296 120.570 0.158 0.000 2.530 49 I HA 0.754 4.924 4.170 0.000 0.000 0.297 49 I C 0.311 176.399 176.117 -0.048 0.000 1.011 49 I CA -0.100 61.256 61.300 0.093 0.000 1.107 49 I CB 2.195 40.277 38.000 0.136 0.000 1.285 49 I HN 0.851 nan 8.210 nan 0.000 0.436 50 A N 3.721 126.497 122.820 -0.074 0.000 2.540 50 A HA 0.486 4.806 4.320 0.000 0.000 0.291 50 A C -1.932 175.615 177.584 -0.062 0.000 1.083 50 A CA -0.752 51.208 52.037 -0.129 0.000 0.650 50 A CB 0.990 19.768 19.000 -0.370 0.000 1.292 50 A HN 0.523 nan 8.150 nan 0.000 0.435 51 D N 1.383 121.741 120.400 -0.069 0.000 2.383 51 D HA 0.479 5.119 4.640 0.000 0.000 0.252 51 D C 0.203 176.446 176.300 -0.095 0.000 1.166 51 D CA 0.990 54.938 54.000 -0.088 0.000 0.879 51 D CB 1.331 42.057 40.800 -0.123 0.000 1.164 51 D HN 0.821 nan 8.370 nan 0.000 0.462 52 A N 4.367 127.074 122.820 -0.188 0.000 2.444 52 A HA 0.288 4.608 4.320 0.000 0.000 0.332 52 A C 0.204 177.407 177.584 -0.635 0.000 1.430 52 A CA -0.707 51.035 52.037 -0.491 0.000 0.975 52 A CB 0.168 18.899 19.000 -0.448 0.000 1.147 52 A HN 0.385 nan 8.150 nan 0.000 0.524 53 R N 2.860 123.040 120.500 -0.533 0.000 2.235 53 R HA 0.211 4.551 4.340 0.000 0.000 0.338 53 R C -0.339 175.785 176.300 -0.295 0.000 1.087 53 R CA -0.130 55.779 56.100 -0.320 0.000 0.948 53 R CB 0.221 30.394 30.300 -0.211 0.000 1.099 53 R HN 0.827 nan 8.270 nan 0.000 0.483 54 Y N 1.138 121.349 120.300 -0.148 0.000 2.165 54 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 54 Y C 1.931 177.764 175.900 -0.113 0.000 1.155 54 Y CA 1.354 59.364 58.100 -0.150 0.000 1.164 54 Y CB 0.308 38.661 38.460 -0.178 0.000 0.978 54 Y HN 0.452 nan 8.280 nan 0.000 0.513 55 E N -1.576 118.634 120.200 0.016 0.000 2.465 55 E HA 0.144 4.495 4.350 0.000 0.000 0.209 55 E C 0.309 176.704 176.600 -0.343 0.000 0.951 55 E CA 0.514 56.862 56.400 -0.086 0.000 0.997 55 E CB 1.038 30.698 29.700 -0.068 0.000 1.025 55 E HN 0.208 nan 8.360 nan 0.000 0.500 56 T N -1.082 113.242 114.554 -0.383 0.000 2.827 56 T HA 0.109 4.459 4.350 0.000 0.000 0.328 56 T C 0.220 174.796 174.700 -0.207 0.000 1.598 56 T CA 0.128 61.855 62.100 -0.622 0.000 1.043 56 T CB 1.012 69.700 68.868 -0.300 0.000 1.447 56 T HN -0.080 nan 8.240 nan 0.000 0.491 57 S N 1.786 117.467 115.700 -0.032 0.000 2.561 57 S HA 0.163 4.633 4.470 0.000 0.000 0.225 57 S C 0.669 175.249 174.600 -0.032 0.000 0.977 57 S CA -0.269 57.947 58.200 0.026 0.000 0.926 57 S CB -0.631 62.705 63.200 0.226 0.000 0.769 57 S HN 0.578 nan 8.310 nan 0.000 0.533 58 F N 4.030 123.899 119.950 -0.136 0.000 2.623 58 F HA 0.098 4.625 4.527 0.000 0.000 0.383 58 F C 0.938 176.655 175.800 -0.137 0.000 1.077 58 F CA -0.747 57.171 58.000 -0.137 0.000 1.268 58 F CB 0.255 39.187 39.000 -0.113 0.000 1.053 58 F HN -0.007 nan 8.300 nan 0.000 0.571 59 D N 2.836 122.783 120.400 -0.755 0.000 2.149 59 D HA -0.202 4.439 4.640 0.000 0.000 0.198 59 D C 0.283 176.341 176.300 -0.404 0.000 0.990 59 D CA 1.465 55.147 54.000 -0.530 0.000 0.839 59 D CB -0.152 40.341 40.800 -0.512 0.000 0.948 59 D HN 0.449 nan 8.370 nan 0.000 0.460 60 N N 1.084 119.430 118.700 -0.591 0.000 2.918 60 N HA 0.130 4.870 4.740 0.000 0.000 0.247 60 N C -0.290 175.273 175.510 0.088 0.000 1.117 60 N CA -0.007 52.958 53.050 -0.142 0.000 1.005 60 N CB 0.913 39.371 38.487 -0.049 0.000 1.297 60 N HN 0.068 nan 8.380 nan 0.000 0.513 61 S N -0.478 115.248 115.700 0.044 0.000 2.790 61 S HA 0.427 4.898 4.470 0.000 0.000 0.292 61 S C -0.679 173.959 174.600 0.063 0.000 1.197 61 S CA -0.942 57.306 58.200 0.081 0.000 0.851 61 S CB 1.216 64.468 63.200 0.086 0.000 1.217 61 S HN 0.164 nan 8.310 nan 0.000 0.526 62 L N 1.493 122.763 121.223 0.077 0.000 2.500 62 L HA 0.537 4.877 4.340 0.000 0.000 0.272 62 L C -1.088 175.901 176.870 0.199 0.000 1.149 62 L CA 0.408 55.327 54.840 0.132 0.000 0.897 62 L CB -0.786 41.340 42.059 0.112 0.000 1.178 62 L HN 0.558 nan 8.230 nan 0.000 0.473 63 I N 4.122 124.795 120.570 0.171 0.000 2.569 63 I HA 0.391 4.562 4.170 0.000 0.000 0.290 63 I C -0.982 175.222 176.117 0.145 0.000 1.088 63 I CA -0.827 60.528 61.300 0.093 0.000 1.047 63 I CB 2.008 40.002 38.000 -0.010 0.000 1.237 63 I HN 0.414 nan 8.210 nan 0.000 0.421 64 D N 2.921 123.392 120.400 0.118 0.000 2.350 64 D HA 0.421 5.061 4.640 0.000 0.000 0.238 64 D C -0.536 175.752 176.300 -0.020 0.000 0.989 64 D CA -0.242 53.822 54.000 0.106 0.000 0.921 64 D CB 2.315 43.269 40.800 0.257 0.000 1.297 64 D HN 0.345 nan 8.370 nan 0.000 0.490 65 T N 0.427 114.950 114.554 -0.051 0.000 2.780 65 T HA 0.368 4.718 4.350 0.000 0.000 0.294 65 T C 0.008 174.653 174.700 -0.091 0.000 0.949 65 T CA -0.394 61.653 62.100 -0.088 0.000 1.074 65 T CB 1.096 69.880 68.868 -0.140 0.000 0.910 65 T HN 0.076 nan 8.240 nan 0.000 0.501 66 V N 2.252 122.156 119.914 -0.017 0.000 2.732 66 V HA 0.898 5.018 4.120 0.000 0.000 0.310 66 V C -0.743 175.398 176.094 0.079 0.000 1.053 66 V CA -0.762 61.571 62.300 0.054 0.000 0.957 66 V CB 1.569 33.528 31.823 0.226 0.000 1.018 66 V HN 1.076 nan 8.190 nan 0.000 0.452 67 A N 5.449 128.333 122.820 0.107 0.000 2.374 67 A HA 0.800 5.120 4.320 0.000 0.000 0.305 67 A C -0.807 176.927 177.584 0.250 0.000 1.053 67 A CA -0.813 51.360 52.037 0.226 0.000 0.726 67 A CB 1.358 20.526 19.000 0.281 0.000 1.229 67 A HN 0.813 nan 8.150 nan 0.000 0.431 68 K N 1.083 121.638 120.400 0.258 0.000 2.207 68 K HA 0.634 4.955 4.320 0.000 0.000 0.255 68 K C -1.501 175.398 176.600 0.499 0.000 0.941 68 K CA -0.490 55.870 56.287 0.122 0.000 0.825 68 K CB 2.075 34.320 32.500 -0.426 0.000 1.119 68 K HN 0.766 nan 8.250 nan 0.000 0.430 69 Y N -2.036 118.533 120.300 0.447 0.000 2.553 69 Y HA 0.676 5.226 4.550 0.000 0.000 0.347 69 Y C -0.765 175.172 175.900 0.061 0.000 1.019 69 Y CA -1.035 57.269 58.100 0.339 0.000 1.032 69 Y CB 2.115 40.685 38.460 0.184 0.000 1.284 69 Y HN 0.449 nan 8.280 nan 0.000 0.466 70 S N 1.419 117.002 115.700 -0.196 0.000 2.548 70 S HA 0.499 4.970 4.470 0.000 0.000 0.276 70 S C -0.240 174.175 174.600 -0.308 0.000 1.129 70 S CA -0.202 57.677 58.200 -0.536 0.000 0.931 70 S CB 1.499 63.852 63.200 -1.411 0.000 1.068 70 S HN 1.357 nan 8.310 nan 0.000 0.480 71 V N 0.683 120.468 119.914 -0.215 0.000 3.621 71 V HA 0.403 4.523 4.120 0.000 0.000 0.285 71 V C 0.363 176.356 176.094 -0.167 0.000 1.346 71 V CA 0.597 62.812 62.300 -0.141 0.000 1.104 71 V CB -0.179 31.603 31.823 -0.067 0.000 0.913 71 V HN 0.815 nan 8.190 nan 0.000 0.432 72 D N -0.675 119.577 120.400 -0.246 0.000 2.892 72 D HA 0.154 4.794 4.640 0.000 0.000 0.291 72 D C 0.046 176.218 176.300 -0.213 0.000 1.341 72 D CA -0.369 53.514 54.000 -0.194 0.000 0.844 72 D CB -0.552 40.148 40.800 -0.166 0.000 1.093 72 D HN 0.294 nan 8.370 nan 0.000 0.480 73 D N 0.267 120.521 120.400 -0.243 0.000 2.837 73 D HA -0.160 4.480 4.640 0.000 0.000 0.230 73 D C 1.206 177.358 176.300 -0.247 0.000 1.152 73 D CA 1.387 55.267 54.000 -0.200 0.000 0.736 73 D CB -1.486 39.316 40.800 0.003 0.000 1.084 73 D HN 0.747 nan 8.370 nan 0.000 0.429 74 G N -0.490 107.922 108.800 -0.647 0.000 2.136 74 G HA2 -0.346 3.614 3.960 0.000 0.000 0.242 74 G HA3 -0.346 3.614 3.960 0.000 0.000 0.242 74 G C 0.772 175.459 174.900 -0.356 0.000 0.989 74 G CA 0.512 45.090 45.100 -0.870 0.000 0.682 74 G HN 0.388 nan 8.290 nan 0.000 0.522 75 E N -0.111 119.919 120.200 -0.283 0.000 2.190 75 E HA 0.098 4.448 4.350 0.000 0.000 0.191 75 E C 1.511 178.042 176.600 -0.115 0.000 0.978 75 E CA 1.643 57.985 56.400 -0.096 0.000 0.839 75 E CB 0.327 29.990 29.700 -0.061 0.000 0.787 75 E HN 0.870 nan 8.360 nan 0.000 0.473 76 T N -2.418 111.961 114.554 -0.291 0.000 2.903 76 T HA 0.581 4.931 4.350 0.000 0.000 0.299 76 T C -1.231 173.265 174.700 -0.340 0.000 1.093 76 T CA -0.915 61.085 62.100 -0.167 0.000 1.002 76 T CB 1.401 70.203 68.868 -0.111 0.000 1.127 76 T HN -0.028 nan 8.240 nan 0.000 0.488 77 W N 0.105 121.263 121.300 -0.237 0.000 3.127 77 W HA 0.573 5.234 4.660 0.000 0.000 0.330 77 W C -0.479 175.827 176.519 -0.355 0.000 1.187 77 W CA -0.761 56.395 57.345 -0.316 0.000 1.198 77 W CB 1.445 30.694 29.460 -0.351 0.000 1.408 77 W HN 0.593 nan 8.180 nan 0.000 0.529 78 E N 1.160 121.180 120.200 -0.301 0.000 2.277 78 E HA 0.571 4.921 4.350 0.000 0.000 0.274 78 E C -0.654 175.768 176.600 -0.298 0.000 1.022 78 E CA -0.380 55.770 56.400 -0.417 0.000 0.853 78 E CB 1.808 30.996 29.700 -0.853 0.000 1.086 78 E HN 0.231 nan 8.360 nan 0.000 0.397 79 T N 2.758 117.228 114.554 -0.140 0.000 2.848 79 T HA 0.385 4.735 4.350 0.000 0.000 0.285 79 T C -0.257 174.475 174.700 0.053 0.000 0.995 79 T CA -0.857 61.210 62.100 -0.055 0.000 0.970 79 T CB 1.375 70.189 68.868 -0.090 0.000 0.976 79 T HN 0.405 nan 8.240 nan 0.000 0.441 80 Q N 2.004 121.873 119.800 0.116 0.000 2.553 80 Q HA 0.635 4.975 4.340 0.000 0.000 0.293 80 Q C -1.527 174.504 176.000 0.052 0.000 1.038 80 Q CA -1.189 54.690 55.803 0.126 0.000 0.777 80 Q CB 1.480 30.356 28.738 0.230 0.000 1.487 80 Q HN 0.336 nan 8.270 nan 0.000 0.426 81 I N 1.700 122.276 120.570 0.010 0.000 2.315 81 I HA 0.264 4.434 4.170 0.000 0.000 0.291 81 I C 0.707 176.652 176.117 -0.287 0.000 1.006 81 I CA -0.217 61.045 61.300 -0.064 0.000 1.265 81 I CB 0.893 38.903 38.000 0.018 0.000 1.387 81 I HN 0.994 nan 8.210 nan 0.000 0.475 82 A N 7.617 130.099 122.820 -0.564 0.000 1.935 82 A HA 0.262 4.582 4.320 0.000 0.000 0.214 82 A C 0.843 178.028 177.584 -0.665 0.000 1.178 82 A CA 1.004 52.249 52.037 -1.321 0.000 0.640 82 A CB 0.171 17.986 19.000 -1.975 0.000 0.825 82 A HN 0.610 nan 8.150 nan 0.000 0.447 83 I N -0.076 120.283 120.570 -0.351 0.000 2.644 83 I HA 0.237 4.408 4.170 0.000 0.000 0.291 83 I C -0.930 175.136 176.117 -0.086 0.000 1.180 83 I CA -0.857 60.341 61.300 -0.169 0.000 1.040 83 I CB 2.409 40.326 38.000 -0.138 0.000 1.255 83 I HN 0.232 nan 8.210 nan 0.000 0.422 84 K N 5.058 125.428 120.400 -0.050 0.000 2.123 84 K HA 0.497 4.818 4.320 0.000 0.000 0.259 84 K C -0.517 176.074 176.600 -0.014 0.000 0.960 84 K CA -0.791 55.488 56.287 -0.012 0.000 0.872 84 K CB 1.535 34.014 32.500 -0.035 0.000 1.079 84 K HN 0.696 nan 8.250 nan 0.000 0.440 85 N N 0.737 119.451 118.700 0.022 0.000 2.294 85 N HA -0.102 4.638 4.740 0.000 0.000 0.248 85 N C 0.639 176.145 175.510 -0.007 0.000 1.300 85 N CA -0.179 52.878 53.050 0.012 0.000 0.925 85 N CB 0.721 39.240 38.487 0.053 0.000 1.188 85 N HN 0.771 nan 8.380 nan 0.000 0.512 86 S N -0.670 115.023 115.700 -0.012 0.000 2.447 86 S HA -0.089 4.381 4.470 0.000 0.000 0.233 86 S C 0.671 175.265 174.600 -0.009 0.000 1.006 86 S CA 0.077 58.265 58.200 -0.021 0.000 0.957 86 S CB -0.368 62.817 63.200 -0.025 0.000 0.773 86 S HN 0.702 nan 8.310 nan 0.000 0.507 87 R N -0.524 119.983 120.500 0.012 0.000 3.951 87 R HA -0.181 4.160 4.340 0.000 0.000 0.352 87 R C 1.154 177.464 176.300 0.016 0.000 1.178 87 R CA 0.865 56.975 56.100 0.018 0.000 0.949 87 R CB -2.621 27.674 30.300 -0.009 0.000 1.452 87 R HN 0.667 nan 8.270 nan 0.000 0.540 88 A N 0.362 123.192 122.820 0.017 0.000 1.929 88 A HA 0.022 4.342 4.320 0.000 0.000 0.216 88 A C 1.173 178.771 177.584 0.023 0.000 1.176 88 A CA 1.692 53.738 52.037 0.016 0.000 0.628 88 A CB 0.097 19.107 19.000 0.016 0.000 0.816 88 A HN 0.663 nan 8.150 nan 0.000 0.444 89 S N -2.855 112.864 115.700 0.032 0.000 2.776 89 S HA 0.390 4.860 4.470 0.000 0.000 0.292 89 S C 0.803 175.422 174.600 0.032 0.000 1.187 89 S CA 0.373 58.591 58.200 0.031 0.000 0.834 89 S CB 0.728 63.951 63.200 0.037 0.000 1.199 89 S HN 0.786 nan 8.310 nan 0.000 0.514 90 S N -0.199 115.515 115.700 0.024 0.000 2.474 90 S HA -0.062 4.408 4.470 0.000 0.000 0.235 90 S C 1.326 175.948 174.600 0.036 0.000 0.997 90 S CA 0.915 59.125 58.200 0.017 0.000 0.949 90 S CB -0.995 62.206 63.200 0.001 0.000 0.766 90 S HN 1.695 nan 8.310 nan 0.000 0.517 91 V N -1.752 118.195 119.914 0.054 0.000 3.176 91 V HA 0.455 4.576 4.120 0.000 0.000 0.332 91 V C 0.128 176.274 176.094 0.086 0.000 1.414 91 V CA -0.719 61.626 62.300 0.075 0.000 1.133 91 V CB -0.435 31.443 31.823 0.093 0.000 1.088 91 V HN 0.245 nan 8.190 nan 0.000 0.473 92 S N 3.269 119.017 115.700 0.079 0.000 2.537 92 S HA 0.545 5.015 4.470 0.000 0.000 0.286 92 S C 0.207 174.863 174.600 0.094 0.000 1.299 92 S CA -0.104 58.148 58.200 0.086 0.000 1.067 92 S CB 0.167 63.405 63.200 0.062 0.000 0.864 92 S HN 0.943 nan 8.310 nan 0.000 0.494 93 R N 0.016 120.579 120.500 0.105 0.000 2.604 93 R HA 0.649 4.989 4.340 0.000 0.000 0.270 93 R C -1.528 174.815 176.300 0.072 0.000 1.052 93 R CA -1.097 55.058 56.100 0.091 0.000 0.902 93 R CB 0.725 31.072 30.300 0.080 0.000 1.233 93 R HN 0.355 nan 8.270 nan 0.000 0.455 94 V N -0.021 119.908 119.914 0.025 0.000 2.483 94 V HA 0.845 4.965 4.120 0.000 0.000 0.295 94 V C 0.342 176.418 176.094 -0.029 0.000 1.035 94 V CA -0.710 61.575 62.300 -0.026 0.000 0.896 94 V CB 1.156 32.943 31.823 -0.061 0.000 0.986 94 V HN 0.734 nan 8.190 nan 0.000 0.447 95 V N -0.369 119.515 119.914 -0.049 0.000 3.078 95 V HA 0.733 4.854 4.120 0.000 0.000 0.311 95 V C -0.279 175.756 176.094 -0.097 0.000 1.138 95 V CA -0.754 61.511 62.300 -0.058 0.000 1.007 95 V CB 1.630 33.430 31.823 -0.038 0.000 1.045 95 V HN 0.859 nan 8.190 nan 0.000 0.432 96 D N 0.918 121.277 120.400 -0.069 0.000 2.686 96 D HA -0.100 4.540 4.640 0.000 0.000 0.235 96 D C -2.311 173.950 176.300 -0.065 0.000 1.160 96 D CA 1.298 55.265 54.000 -0.055 0.000 0.645 96 D CB -0.968 39.769 40.800 -0.105 0.000 1.039 96 D HN 0.805 nan 8.370 nan 0.000 0.423 97 P HA 0.006 nan 4.420 nan 0.000 0.263 97 P C -0.294 177.021 177.300 0.024 0.000 1.195 97 P CA 0.397 63.480 63.100 -0.028 0.000 0.762 97 P CB 0.806 32.497 31.700 -0.015 0.000 0.799 98 T N 2.805 117.380 114.554 0.036 0.000 2.792 98 T HA 0.404 4.754 4.350 0.000 0.000 0.280 98 T C -0.064 174.844 174.700 0.347 0.000 0.990 98 T CA -0.513 61.682 62.100 0.159 0.000 0.960 98 T CB 1.252 70.178 68.868 0.097 0.000 0.939 98 T HN 0.083 nan 8.240 nan 0.000 0.439 99 V N 4.494 124.625 119.914 0.363 0.000 2.495 99 V HA 0.585 4.705 4.120 0.000 0.000 0.298 99 V C -0.320 175.955 176.094 0.303 0.000 1.031 99 V CA -0.824 61.688 62.300 0.354 0.000 0.871 99 V CB 1.553 33.535 31.823 0.263 0.000 0.988 99 V HN 0.811 nan 8.190 nan 0.000 0.432 100 I N 3.963 124.704 120.570 0.286 0.000 2.569 100 I HA 0.542 4.712 4.170 0.000 0.000 0.296 100 I C -0.842 175.412 176.117 0.229 0.000 1.028 100 I CA -0.978 60.413 61.300 0.152 0.000 1.082 100 I CB 2.461 40.441 38.000 -0.034 0.000 1.264 100 I HN 0.266 nan 8.210 nan 0.000 0.429 101 V N 5.631 125.640 119.914 0.159 0.000 2.417 101 V HA 0.404 4.524 4.120 0.000 0.000 0.291 101 V C -0.247 175.924 176.094 0.129 0.000 1.024 101 V CA -0.603 61.791 62.300 0.157 0.000 0.861 101 V CB 1.636 33.525 31.823 0.111 0.000 0.985 101 V HN 0.605 nan 8.190 nan 0.000 0.436 102 K N 3.462 123.969 120.400 0.178 0.000 2.579 102 K HA 0.600 4.920 4.320 0.000 0.000 0.250 102 K C 0.673 177.329 176.600 0.094 0.000 0.952 102 K CA 0.415 56.775 56.287 0.121 0.000 0.857 102 K CB 1.401 33.969 32.500 0.114 0.000 1.123 102 K HN 0.928 nan 8.250 nan 0.000 0.433 103 G N 3.583 112.409 108.800 0.043 0.000 2.596 103 G HA2 -0.356 3.605 3.960 0.000 0.000 0.304 103 G HA3 -0.356 3.605 3.960 0.000 0.000 0.304 103 G C 0.304 175.203 174.900 -0.003 0.000 1.189 103 G CA 0.311 45.420 45.100 0.015 0.000 0.986 103 G HN 0.670 nan 8.290 nan 0.000 0.548 104 N N 1.980 120.663 118.700 -0.027 0.000 2.268 104 N HA 0.160 4.900 4.740 0.000 0.000 0.204 104 N C 0.280 175.727 175.510 -0.105 0.000 1.124 104 N CA 0.559 53.569 53.050 -0.068 0.000 0.838 104 N CB 0.371 38.809 38.487 -0.083 0.000 0.994 104 N HN 0.513 nan 8.380 nan 0.000 0.489 105 K N 0.475 120.834 120.400 -0.068 0.000 2.159 105 K HA 0.437 4.757 4.320 0.000 0.000 0.266 105 K C -0.436 176.099 176.600 -0.108 0.000 0.975 105 K CA -0.493 55.694 56.287 -0.166 0.000 0.865 105 K CB 1.940 34.301 32.500 -0.232 0.000 1.087 105 K HN -0.113 nan 8.250 nan 0.000 0.446 106 L N 4.086 125.172 121.223 -0.230 0.000 2.276 106 L HA 0.335 4.675 4.340 0.000 0.000 0.286 106 L C -1.046 175.795 176.870 -0.049 0.000 1.024 106 L CA -0.685 54.125 54.840 -0.050 0.000 0.826 106 L CB 0.295 42.318 42.059 -0.059 0.000 1.211 106 L HN 0.505 nan 8.230 nan 0.000 0.422 107 Y N 3.087 123.500 120.300 0.189 0.000 2.367 107 Y HA 0.430 4.980 4.550 0.000 0.000 0.342 107 Y C -0.003 176.112 175.900 0.358 0.000 0.979 107 Y CA -0.655 57.611 58.100 0.276 0.000 1.161 107 Y CB 1.406 40.037 38.460 0.286 0.000 1.155 107 Y HN 0.173 nan 8.280 nan 0.000 0.503 108 V N 5.934 126.115 119.914 0.444 0.000 2.378 108 V HA 0.292 4.413 4.120 0.000 0.000 0.288 108 V C -0.730 175.473 176.094 0.180 0.000 1.016 108 V CA -0.810 61.687 62.300 0.327 0.000 0.840 108 V CB 1.538 33.526 31.823 0.276 0.000 0.994 108 V HN 0.496 nan 8.190 nan 0.000 0.431 109 L N 7.889 129.134 121.223 0.037 0.000 2.282 109 L HA 0.854 5.194 4.340 0.000 0.000 0.288 109 L C -0.352 176.374 176.870 -0.240 0.000 1.033 109 L CA 0.015 54.713 54.840 -0.237 0.000 0.807 109 L CB 1.561 43.175 42.059 -0.742 0.000 1.209 109 L HN 0.588 nan 8.230 nan 0.000 0.423 110 V N 2.028 121.792 119.914 -0.250 0.000 2.971 110 V HA 0.918 5.038 4.120 0.000 0.000 0.309 110 V C 0.277 176.168 176.094 -0.338 0.000 1.130 110 V CA -0.329 61.821 62.300 -0.249 0.000 0.964 110 V CB 1.054 32.778 31.823 -0.165 0.000 1.029 110 V HN 0.896 nan 8.190 nan 0.000 0.427 111 G N 1.075 109.675 108.800 -0.332 0.000 2.569 111 G HA2 0.489 4.450 3.960 0.000 0.000 0.249 111 G HA3 0.489 4.450 3.960 0.000 0.000 0.249 111 G C -0.259 174.435 174.900 -0.344 0.000 1.216 111 G CA 0.052 44.917 45.100 -0.391 0.000 0.845 111 G HN 1.230 nan 8.290 nan 0.000 0.568 112 S N -0.058 115.294 115.700 -0.581 0.000 2.594 112 S HA 0.655 5.126 4.470 0.000 0.000 0.296 112 S C -1.559 172.684 174.600 -0.596 0.000 1.124 112 S CA -0.587 57.361 58.200 -0.420 0.000 1.011 112 S CB 0.583 63.561 63.200 -0.371 0.000 1.016 112 S HN 0.430 nan 8.310 nan 0.000 0.485 113 Y N 3.164 123.424 120.300 -0.067 0.000 2.462 113 Y HA 0.479 5.029 4.550 0.000 0.000 0.346 113 Y C 1.077 176.986 175.900 0.014 0.000 0.976 113 Y CA -0.886 57.223 58.100 0.014 0.000 1.044 113 Y CB 1.748 40.245 38.460 0.062 0.000 1.230 113 Y HN 0.578 nan 8.280 nan 0.000 0.455 114 N N -0.142 118.652 118.700 0.156 0.000 2.428 114 N HA 0.028 4.768 4.740 0.000 0.000 0.181 114 N C 0.505 176.076 175.510 0.103 0.000 1.028 114 N CA 0.882 53.987 53.050 0.093 0.000 0.877 114 N CB 0.373 38.888 38.487 0.046 0.000 1.064 114 N HN 0.499 nan 8.380 nan 0.000 0.434 115 S N -0.624 115.148 115.700 0.121 0.000 2.700 115 S HA 0.071 4.541 4.470 0.000 0.000 0.272 115 S C 0.145 174.800 174.600 0.092 0.000 1.052 115 S CA -0.473 57.780 58.200 0.089 0.000 1.317 115 S CB 0.539 63.775 63.200 0.059 0.000 1.212 115 S HN 0.336 nan 8.310 nan 0.000 0.675 116 S N 1.471 117.244 115.700 0.121 0.000 2.562 116 S HA 0.383 4.853 4.470 0.000 0.000 0.281 116 S C 0.438 175.108 174.600 0.116 0.000 1.333 116 S CA -0.242 58.014 58.200 0.093 0.000 1.052 116 S CB 0.923 64.184 63.200 0.101 0.000 0.884 116 S HN 0.129 nan 8.310 nan 0.000 0.506 117 R N 1.076 121.643 120.500 0.111 0.000 2.393 117 R HA 0.261 4.601 4.340 0.000 0.000 0.244 117 R C 0.296 176.722 176.300 0.210 0.000 0.920 117 R CA 0.199 56.398 56.100 0.165 0.000 1.076 117 R CB 0.217 30.593 30.300 0.126 0.000 1.119 117 R HN 0.851 nan 8.270 nan 0.000 0.524 118 S N -1.607 114.204 115.700 0.186 0.000 2.578 118 S HA 0.332 4.803 4.470 0.000 0.000 0.301 118 S C -0.640 174.105 174.600 0.240 0.000 1.091 118 S CA -0.856 57.472 58.200 0.212 0.000 1.032 118 S CB 1.327 64.638 63.200 0.186 0.000 1.064 118 S HN 0.126 nan 8.310 nan 0.000 0.508 119 Y N 3.522 123.825 120.300 0.004 0.000 2.497 119 Y HA 0.137 4.687 4.550 0.001 0.000 0.334 119 Y C 1.616 177.409 175.900 -0.179 0.000 1.199 119 Y CA -0.721 57.316 58.100 -0.106 0.000 1.425 119 Y CB 0.486 38.859 38.460 -0.144 0.000 1.291 119 Y HN 0.922 nan 8.280 nan 0.000 0.562 120 W N 3.686 124.347 121.300 -1.065 0.000 2.308 120 W HA -0.264 4.397 4.660 0.000 0.000 0.301 120 W C 1.332 177.407 176.519 -0.739 0.000 1.220 120 W CA 2.327 58.947 57.345 -1.209 0.000 1.240 120 W CB -1.886 26.959 29.460 -1.026 0.000 1.142 120 W HN 0.613 nan 8.180 nan 0.000 0.521 121 T N -0.213 113.519 114.554 -1.371 0.000 3.007 121 T HA -0.148 4.202 4.350 0.000 0.000 0.270 121 T C 1.918 176.369 174.700 -0.414 0.000 1.107 121 T CA 1.697 63.182 62.100 -1.025 0.000 1.118 121 T CB -0.825 67.564 68.868 -0.799 0.000 0.889 121 T HN 0.321 nan 8.240 nan 0.000 0.506 122 S N -0.003 115.565 115.700 -0.220 0.000 2.558 122 S HA 0.061 4.531 4.470 0.000 0.000 0.217 122 S C 0.334 175.013 174.600 0.132 0.000 0.975 122 S CA -0.632 57.565 58.200 -0.005 0.000 0.912 122 S CB -0.634 62.612 63.200 0.076 0.000 0.776 122 S HN 0.556 nan 8.310 nan 0.000 0.526 123 H N 1.653 120.684 119.070 -0.066 0.000 2.929 123 H HA 0.424 4.980 4.556 0.000 0.000 0.317 123 H C 1.489 176.811 175.328 -0.009 0.000 1.031 123 H CA 0.088 56.134 56.048 -0.003 0.000 1.466 123 H CB 0.642 30.435 29.762 0.053 0.000 1.482 123 H HN 0.331 nan 8.280 nan 0.000 0.561 124 G N 2.106 110.962 108.800 0.093 0.000 2.813 124 G HA2 -0.008 3.952 3.960 0.000 0.000 0.209 124 G HA3 -0.008 3.952 3.960 0.000 0.000 0.209 124 G C -0.078 174.860 174.900 0.063 0.000 1.150 124 G CA 0.539 45.670 45.100 0.052 0.000 0.785 124 G HN 0.736 nan 8.290 nan 0.000 0.535 125 D N -2.799 117.658 120.400 0.096 0.000 2.759 125 D HA 0.542 5.183 4.640 0.000 0.000 0.321 125 D C 0.135 176.539 176.300 0.173 0.000 1.267 125 D CA -0.171 53.894 54.000 0.108 0.000 0.933 125 D CB 0.818 41.664 40.800 0.076 0.000 1.431 125 D HN -0.039 nan 8.370 nan 0.000 0.504 126 A N -0.704 122.227 122.820 0.185 0.000 2.564 126 A HA 0.253 4.573 4.320 0.000 0.000 0.279 126 A C 1.335 179.091 177.584 0.287 0.000 1.232 126 A CA -0.363 51.839 52.037 0.274 0.000 0.950 126 A CB -0.324 18.857 19.000 0.300 0.000 1.138 126 A HN 0.415 nan 8.150 nan 0.000 0.526 127 R N -0.208 120.406 120.500 0.190 0.000 2.148 127 R HA -0.094 4.246 4.340 0.000 0.000 0.227 127 R C 0.703 177.086 176.300 0.138 0.000 1.103 127 R CA 1.457 57.640 56.100 0.138 0.000 0.983 127 R CB -0.030 30.320 30.300 0.083 0.000 0.874 127 R HN 0.421 nan 8.270 nan 0.000 0.451 128 D N -1.000 119.517 120.400 0.195 0.000 2.340 128 D HA -0.009 4.632 4.640 0.000 0.000 0.217 128 D C -0.795 175.618 176.300 0.189 0.000 1.081 128 D CA -0.165 53.956 54.000 0.202 0.000 0.842 128 D CB 0.292 41.241 40.800 0.247 0.000 0.934 128 D HN 0.102 nan 8.370 nan 0.000 0.511 129 W N 0.703 121.958 121.300 -0.075 0.000 2.666 129 W HA 0.541 5.202 4.660 0.000 0.000 0.334 129 W C -1.158 175.175 176.519 -0.310 0.000 1.051 129 W CA -0.684 56.448 57.345 -0.355 0.000 1.224 129 W CB 1.264 30.587 29.460 -0.228 0.000 1.405 129 W HN -0.306 nan 8.180 nan 0.000 0.513 130 D N 3.629 123.242 120.400 -1.312 0.000 2.579 130 D HA 0.407 5.047 4.640 0.000 0.000 0.257 130 D C -1.901 173.370 176.300 -1.714 0.000 1.176 130 D CA -0.649 52.490 54.000 -1.435 0.000 0.914 130 D CB 2.377 42.757 40.800 -0.700 0.000 1.431 130 D HN 0.348 nan 8.370 nan 0.000 0.454 131 I N 2.109 121.893 120.570 -1.310 0.000 2.468 131 I HA 0.423 4.593 4.170 0.000 0.000 0.285 131 I C -1.672 174.116 176.117 -0.548 0.000 1.039 131 I CA -0.379 60.344 61.300 -0.961 0.000 1.074 131 I CB 0.875 38.211 38.000 -1.107 0.000 1.228 131 I HN 0.293 nan 8.210 nan 0.000 0.436 132 L N 7.028 128.003 121.223 -0.413 0.000 2.354 132 L HA 0.649 4.990 4.340 0.000 0.000 0.269 132 L C -1.213 175.570 176.870 -0.144 0.000 1.005 132 L CA -1.083 53.620 54.840 -0.228 0.000 0.819 132 L CB 1.971 43.915 42.059 -0.191 0.000 1.311 132 L HN 0.468 nan 8.230 nan 0.000 0.423 133 L N 2.285 123.494 121.223 -0.025 0.000 2.325 133 L HA 0.842 5.182 4.340 0.000 0.000 0.281 133 L C -0.405 176.546 176.870 0.134 0.000 1.004 133 L CA -0.099 54.792 54.840 0.085 0.000 0.823 133 L CB 1.435 43.609 42.059 0.191 0.000 1.236 133 L HN 0.734 nan 8.230 nan 0.000 0.415 134 A N 4.614 127.530 122.820 0.161 0.000 2.340 134 A HA 0.860 5.180 4.320 0.000 0.000 0.331 134 A C -1.281 176.439 177.584 0.226 0.000 1.140 134 A CA -0.577 51.578 52.037 0.197 0.000 0.801 134 A CB 1.634 20.763 19.000 0.215 0.000 1.234 134 A HN 0.479 nan 8.150 nan 0.000 0.469 135 V N 1.125 121.114 119.914 0.125 0.000 2.495 135 V HA 0.678 4.798 4.120 0.000 0.000 0.298 135 V C 0.647 176.619 176.094 -0.204 0.000 1.031 135 V CA -0.176 62.054 62.300 -0.116 0.000 0.871 135 V CB 1.812 33.488 31.823 -0.245 0.000 0.988 135 V HN 1.173 nan 8.190 nan 0.000 0.432 136 G N 2.422 110.909 108.800 -0.521 0.000 2.368 136 G HA2 0.604 4.564 3.960 0.000 0.000 0.320 136 G HA3 0.604 4.564 3.960 0.000 0.000 0.320 136 G C -0.861 173.620 174.900 -0.698 0.000 1.158 136 G CA -0.314 44.128 45.100 -1.097 0.000 0.912 136 G HN 0.634 nan 8.290 nan 0.000 0.456 137 E N 1.635 121.508 120.200 -0.545 0.000 2.115 137 E HA 0.416 4.767 4.350 0.000 0.000 0.282 137 E C -0.319 176.070 176.600 -0.353 0.000 0.987 137 E CA -0.305 55.883 56.400 -0.353 0.000 0.797 137 E CB 1.501 31.057 29.700 -0.240 0.000 1.086 137 E HN 0.190 nan 8.360 nan 0.000 0.397 138 V N 4.842 124.579 119.914 -0.296 0.000 2.383 138 V HA 0.429 4.549 4.120 0.000 0.000 0.275 138 V C 0.106 176.086 176.094 -0.190 0.000 1.036 138 V CA -0.380 61.758 62.300 -0.269 0.000 0.889 138 V CB 1.217 32.903 31.823 -0.228 0.000 0.985 138 V HN 0.859 nan 8.190 nan 0.000 0.459 139 T N 2.473 116.921 114.554 -0.176 0.000 2.893 139 T HA 0.656 5.006 4.350 0.000 0.000 0.291 139 T C -0.788 173.848 174.700 -0.106 0.000 1.028 139 T CA -1.034 60.994 62.100 -0.120 0.000 0.995 139 T CB 2.088 70.896 68.868 -0.099 0.000 1.051 139 T HN 0.486 nan 8.240 nan 0.000 0.470 140 K N 1.288 121.641 120.400 -0.077 0.000 2.270 140 K HA 0.666 4.986 4.320 0.000 0.000 0.255 140 K C -0.777 175.797 176.600 -0.042 0.000 0.936 140 K CA -0.812 55.440 56.287 -0.059 0.000 0.809 140 K CB 2.183 34.651 32.500 -0.054 0.000 1.131 140 K HN 0.643 nan 8.250 nan 0.000 0.427 141 S N 0.349 116.031 115.700 -0.031 0.000 2.513 141 S HA 0.243 4.713 4.470 0.000 0.000 0.299 141 S C 0.550 175.139 174.600 -0.019 0.000 1.087 141 S CA -0.614 57.572 58.200 -0.023 0.000 1.012 141 S CB 1.133 64.323 63.200 -0.017 0.000 1.044 141 S HN 0.681 nan 8.310 nan 0.000 0.485 142 T N 1.346 115.889 114.554 -0.018 0.000 3.122 142 T HA 0.453 4.804 4.350 0.000 0.000 0.250 142 T C 0.708 175.401 174.700 -0.012 0.000 1.067 142 T CA 0.142 62.233 62.100 -0.016 0.000 0.966 142 T CB -0.164 68.694 68.868 -0.016 0.000 1.002 142 T HN 0.782 nan 8.240 nan 0.000 0.542 143 A N 0.802 123.615 122.820 -0.011 0.000 2.565 143 A HA 0.484 4.804 4.320 0.000 0.000 0.237 143 A C 1.743 179.322 177.584 -0.008 0.000 1.053 143 A CA 0.407 52.439 52.037 -0.009 0.000 0.755 143 A CB -1.111 17.885 19.000 -0.007 0.000 0.980 143 A HN 1.560 nan 8.150 nan 0.000 0.506 144 G N 0.878 109.674 108.800 -0.007 0.000 2.162 144 G HA2 0.147 4.107 3.960 0.000 0.000 0.260 144 G HA3 0.147 4.107 3.960 0.000 0.000 0.260 144 G C 1.678 176.573 174.900 -0.008 0.000 0.976 144 G CA 0.960 46.056 45.100 -0.007 0.000 0.655 144 G HN 2.858 nan 8.290 nan 0.000 0.533 145 G N -0.715 108.080 108.800 -0.009 0.000 2.153 145 G HA2 -0.151 3.809 3.960 0.000 0.000 0.252 145 G HA3 -0.151 3.809 3.960 0.000 0.000 0.252 145 G C 0.316 175.209 174.900 -0.012 0.000 0.994 145 G CA 1.741 46.834 45.100 -0.010 0.000 0.698 145 G HN 1.859 nan 8.290 nan 0.000 0.521 146 K N -0.735 119.658 120.400 -0.012 0.000 2.295 146 K HA 0.832 5.152 4.320 0.000 0.000 0.239 146 K C -0.385 176.205 176.600 -0.015 0.000 0.991 146 K CA -1.434 54.844 56.287 -0.015 0.000 0.845 146 K CB 1.918 34.409 32.500 -0.014 0.000 1.197 146 K HN -0.053 nan 8.250 nan 0.000 0.441 147 I N 2.246 122.804 120.570 -0.019 0.000 2.315 147 I HA 0.191 4.361 4.170 0.000 0.000 0.291 147 I C -0.525 175.585 176.117 -0.012 0.000 1.006 147 I CA -0.195 61.093 61.300 -0.020 0.000 1.265 147 I CB 1.010 38.993 38.000 -0.028 0.000 1.387 147 I HN 0.692 nan 8.210 nan 0.000 0.475 148 T N 5.882 120.434 114.554 -0.004 0.000 2.812 148 T HA 0.687 5.037 4.350 0.000 0.000 0.282 148 T C 0.064 174.776 174.700 0.019 0.000 0.990 148 T CA -0.489 61.621 62.100 0.018 0.000 0.960 148 T CB 1.921 70.800 68.868 0.018 0.000 0.948 148 T HN 0.690 nan 8.240 nan 0.000 0.438 149 A N 2.325 125.183 122.820 0.063 0.000 2.294 149 A HA 0.904 5.224 4.320 0.000 0.000 0.330 149 A C 0.010 177.579 177.584 -0.025 0.000 1.133 149 A CA -0.688 51.344 52.037 -0.009 0.000 0.836 149 A CB 1.302 20.277 19.000 -0.040 0.000 1.190 149 A HN 0.696 nan 8.150 nan 0.000 0.492 150 S N -0.150 115.435 115.700 -0.193 0.000 2.541 150 S HA 0.688 5.158 4.470 0.000 0.000 0.271 150 S C -1.340 173.052 174.600 -0.347 0.000 1.133 150 S CA -0.527 57.554 58.200 -0.199 0.000 0.876 150 S CB 0.640 63.800 63.200 -0.066 0.000 1.105 150 S HN 0.565 nan 8.310 nan 0.000 0.470 151 I N 3.736 124.107 120.570 -0.330 0.000 2.447 151 I HA 0.469 4.639 4.170 0.000 0.000 0.287 151 I C -0.545 175.408 176.117 -0.275 0.000 1.023 151 I CA -0.948 60.117 61.300 -0.391 0.000 1.083 151 I CB 1.891 39.636 38.000 -0.425 0.000 1.245 151 I HN 0.336 nan 8.210 nan 0.000 0.434 152 K N 6.727 126.920 120.400 -0.345 0.000 2.316 152 K HA 0.290 4.610 4.320 0.000 0.000 0.267 152 K C -1.622 174.799 176.600 -0.298 0.000 1.025 152 K CA -0.500 55.672 56.287 -0.192 0.000 0.896 152 K CB 0.734 33.159 32.500 -0.124 0.000 1.124 152 K HN 0.445 nan 8.250 nan 0.000 0.451 153 W N 2.879 124.171 121.300 -0.014 0.000 2.335 153 W HA 0.362 5.023 4.660 0.000 0.000 0.306 153 W C 1.192 177.703 176.519 -0.013 0.000 1.216 153 W CA -0.366 56.972 57.345 -0.011 0.000 1.237 153 W CB 1.136 30.603 29.460 0.011 0.000 1.243 153 W HN 0.701 nan 8.180 nan 0.000 0.493 154 G N 1.664 110.548 108.800 0.140 0.000 2.651 154 G HA2 0.322 4.282 3.960 0.000 0.000 0.260 154 G HA3 0.322 4.282 3.960 0.000 0.000 0.260 154 G C -0.280 174.693 174.900 0.120 0.000 1.216 154 G CA -0.760 44.395 45.100 0.091 0.000 0.913 154 G HN 0.410 nan 8.290 nan 0.000 0.535 155 S N 1.023 116.769 115.700 0.076 0.000 2.565 155 S HA 0.375 4.846 4.470 0.000 0.000 0.276 155 S C -2.230 172.407 174.600 0.062 0.000 1.326 155 S CA -0.723 57.513 58.200 0.060 0.000 1.045 155 S CB 1.197 64.418 63.200 0.035 0.000 0.918 155 S HN 0.425 nan 8.310 nan 0.000 0.505 156 P HA 0.270 nan 4.420 nan 0.000 0.268 156 P C -1.129 176.185 177.300 0.023 0.000 1.205 156 P CA -0.338 62.782 63.100 0.032 0.000 0.771 156 P CB 0.387 32.079 31.700 -0.014 0.000 0.858 157 V N 2.082 122.023 119.914 0.044 0.000 2.495 157 V HA 0.297 4.417 4.120 0.000 0.000 0.298 157 V C 0.418 176.524 176.094 0.019 0.000 1.031 157 V CA -0.579 61.752 62.300 0.052 0.000 0.871 157 V CB 1.745 33.640 31.823 0.119 0.000 0.988 157 V HN 0.581 nan 8.190 nan 0.000 0.432 158 S N 4.271 119.957 115.700 -0.023 0.000 2.531 158 S HA 0.364 4.834 4.470 0.000 0.000 0.279 158 S C 0.501 175.104 174.600 0.005 0.000 1.305 158 S CA -0.430 57.720 58.200 -0.082 0.000 1.058 158 S CB 0.216 63.337 63.200 -0.132 0.000 0.899 158 S HN 0.616 nan 8.310 nan 0.000 0.493 159 L N 5.087 126.327 121.223 0.028 0.000 2.818 159 L HA 0.265 4.605 4.340 0.000 0.000 0.243 159 L C 2.035 179.060 176.870 0.258 0.000 1.185 159 L CA -0.089 54.915 54.840 0.273 0.000 0.988 159 L CB -0.226 42.053 42.059 0.368 0.000 1.292 159 L HN 0.717 nan 8.230 nan 0.000 0.519 160 K N 1.656 122.078 120.400 0.037 0.000 2.097 160 K HA -0.195 4.125 4.320 0.000 0.000 0.206 160 K C 1.850 178.570 176.600 0.200 0.000 1.049 160 K CA 1.649 58.004 56.287 0.114 0.000 0.933 160 K CB 0.189 32.656 32.500 -0.055 0.000 0.717 160 K HN 0.513 nan 8.250 nan 0.000 0.442 161 E N -0.519 119.651 120.200 -0.050 0.000 2.396 161 E HA -0.188 4.162 4.350 0.000 0.000 0.200 161 E C 0.849 177.387 176.600 -0.105 0.000 1.023 161 E CA 0.931 57.236 56.400 -0.158 0.000 0.857 161 E CB -0.265 29.201 29.700 -0.389 0.000 0.775 161 E HN 0.399 nan 8.360 nan 0.000 0.525 162 F N -0.140 120.038 119.950 0.380 0.000 2.727 162 F HA 0.226 4.753 4.527 0.000 0.000 0.302 162 F C 0.387 176.534 175.800 0.579 0.000 1.097 162 F CA -0.772 57.494 58.000 0.445 0.000 1.330 162 F CB 0.425 39.730 39.000 0.508 0.000 1.084 162 F HN -0.041 nan 8.300 nan 0.000 0.578 163 F N 4.984 125.214 119.950 0.467 0.000 2.371 163 F HA 0.406 4.933 4.527 0.000 0.000 0.363 163 F C -2.096 173.805 175.800 0.167 0.000 1.122 163 F CA -4.231 53.966 58.000 0.328 0.000 1.129 163 F CB 0.225 39.509 39.000 0.472 0.000 1.173 163 F HN -0.203 nan 8.300 nan 0.000 0.489 164 P HA 0.221 nan 4.420 nan 0.000 0.279 164 P C -0.141 176.888 177.300 -0.450 0.000 1.239 164 P CA -0.221 62.751 63.100 -0.214 0.000 0.789 164 P CB 1.465 33.063 31.700 -0.170 0.000 0.933 165 A N 2.866 125.528 122.820 -0.264 0.000 2.015 165 A HA -0.080 4.241 4.320 0.000 0.000 0.219 165 A C 0.857 178.234 177.584 -0.344 0.000 1.163 165 A CA 1.168 53.054 52.037 -0.253 0.000 0.646 165 A CB -0.381 18.554 19.000 -0.109 0.000 0.806 165 A HN 0.682 nan 8.150 nan 0.000 0.448 166 E N -1.082 118.914 120.200 -0.339 0.000 2.266 166 E HA 0.653 5.003 4.350 0.000 0.000 0.268 166 E C -1.218 175.213 176.600 -0.280 0.000 0.879 166 E CA -0.383 55.798 56.400 -0.365 0.000 0.762 166 E CB 1.805 31.285 29.700 -0.367 0.000 1.199 166 E HN 0.332 nan 8.360 nan 0.000 0.422 167 M N 1.207 120.661 119.600 -0.243 0.000 2.619 167 M HA 0.227 4.707 4.480 0.000 0.000 0.297 167 M C -0.713 175.495 176.300 -0.153 0.000 1.229 167 M CA -0.929 54.258 55.300 -0.189 0.000 0.860 167 M CB 1.973 34.456 32.600 -0.194 0.000 1.741 167 M HN 0.317 nan 8.290 nan 0.000 0.462 168 E N 2.068 122.192 120.200 -0.127 0.000 0.922 168 E HA -0.110 4.240 4.350 0.000 0.000 0.174 168 E C 0.797 177.343 176.600 -0.090 0.000 0.642 168 E CA 1.581 57.919 56.400 -0.103 0.000 0.358 168 E CB -1.456 28.173 29.700 -0.118 0.000 1.058 168 E HN 0.922 nan 8.360 nan 0.000 0.232 169 G N -0.230 108.525 108.800 -0.075 0.000 4.244 169 G HA2 -0.334 3.626 3.960 0.000 0.000 0.222 169 G HA3 -0.334 3.626 3.960 0.000 0.000 0.222 169 G C 0.446 175.333 174.900 -0.021 0.000 1.665 169 G CA -0.250 44.828 45.100 -0.036 0.000 1.315 169 G HN 0.350 nan 8.290 nan 0.000 0.637 170 M N 1.628 121.221 119.600 -0.011 0.000 2.214 170 M HA 0.273 4.754 4.480 0.000 0.000 0.306 170 M C 0.228 176.539 176.300 0.018 0.000 0.998 170 M CA 0.783 56.111 55.300 0.048 0.000 1.071 170 M CB -0.080 32.527 32.600 0.013 0.000 1.466 170 M HN 0.476 nan 8.290 nan 0.000 0.433 171 H N 0.027 119.078 119.070 -0.031 0.000 2.488 171 H HA 0.332 4.888 4.556 0.000 0.000 0.322 171 H C -0.163 175.146 175.328 -0.032 0.000 1.078 171 H CA -0.523 55.497 56.048 -0.046 0.000 1.260 171 H CB 0.958 30.702 29.762 -0.030 0.000 1.425 171 H HN 0.578 nan 8.280 nan 0.000 0.471 172 T N -0.028 114.491 114.554 -0.058 0.000 2.910 172 T HA 0.104 4.454 4.350 0.000 0.000 0.293 172 T C 0.962 175.691 174.700 0.048 0.000 1.015 172 T CA -0.624 61.437 62.100 -0.064 0.000 1.094 172 T CB 1.550 70.086 68.868 -0.552 0.000 0.968 172 T HN 0.543 nan 8.240 nan 0.000 0.521 173 N N 1.201 119.989 118.700 0.148 0.000 2.638 173 N HA 0.157 4.897 4.740 0.000 0.000 0.220 173 N C 0.013 175.525 175.510 0.003 0.000 1.031 173 N CA 0.454 53.570 53.050 0.110 0.000 1.062 173 N CB 0.553 39.071 38.487 0.052 0.000 1.406 173 N HN 0.782 nan 8.380 nan 0.000 0.495 174 Q N -1.320 118.400 119.800 -0.133 0.000 2.553 174 Q HA 0.441 4.781 4.340 0.000 0.000 0.293 174 Q C -1.585 174.170 176.000 -0.409 0.000 1.038 174 Q CA -0.930 54.326 55.803 -0.912 0.000 0.777 174 Q CB 2.856 31.090 28.738 -0.841 0.000 1.487 174 Q HN 0.274 nan 8.270 nan 0.000 0.426 175 F N -1.108 118.308 119.950 -0.891 0.000 2.645 175 F HA 0.836 5.364 4.527 0.000 0.000 0.310 175 F C -2.092 173.452 175.800 -0.425 0.000 1.102 175 F CA -1.035 56.685 58.000 -0.468 0.000 0.952 175 F CB 1.410 40.190 39.000 -0.367 0.000 1.326 175 F HN 0.371 nan 8.300 nan 0.000 0.456 176 L N 1.582 122.483 121.223 -0.536 0.000 2.415 176 L HA 0.710 5.050 4.340 0.000 0.000 0.256 176 L C 0.389 177.083 176.870 -0.294 0.000 1.010 176 L CA -1.269 53.218 54.840 -0.587 0.000 0.826 176 L CB 2.114 43.715 42.059 -0.764 0.000 1.405 176 L HN 1.061 nan 8.230 nan 0.000 0.410 177 G N -0.400 108.215 108.800 -0.308 0.000 2.664 177 G HA2 0.300 4.260 3.960 0.000 0.000 0.242 177 G HA3 0.300 4.260 3.960 0.000 0.000 0.242 177 G C 0.837 175.716 174.900 -0.035 0.000 1.225 177 G CA 0.258 45.264 45.100 -0.157 0.000 0.849 177 G HN 0.872 nan 8.290 nan 0.000 0.581 178 G N -0.937 107.911 108.800 0.080 0.000 3.088 178 G HA2 0.552 4.512 3.960 0.000 0.000 0.212 178 G HA3 0.552 4.512 3.960 0.000 0.000 0.212 178 G C 0.823 175.767 174.900 0.073 0.000 1.173 178 G CA 1.156 46.321 45.100 0.109 0.000 0.779 178 G HN 2.113 nan 8.290 nan 0.000 0.540 179 A N -2.385 120.467 122.820 0.053 0.000 2.697 179 A HA 0.448 4.769 4.320 0.000 0.000 0.677 179 A C 1.473 179.105 177.584 0.080 0.000 0.304 179 A CA 0.689 52.753 52.037 0.045 0.000 0.117 179 A CB -1.089 17.917 19.000 0.009 0.000 3.916 179 A HN 2.402 nan 8.150 nan 0.000 0.544 180 G N -1.650 107.197 108.800 0.079 0.000 2.556 180 G HA2 0.187 4.147 3.960 0.000 0.000 0.283 180 G HA3 0.187 4.147 3.960 0.000 0.000 0.283 180 G C 0.390 175.383 174.900 0.155 0.000 1.177 180 G CA 0.852 46.013 45.100 0.102 0.000 0.978 180 G HN 2.388 nan 8.290 nan 0.000 0.554 181 V N 1.066 121.080 119.914 0.166 0.000 2.448 181 V HA 0.773 4.893 4.120 0.000 0.000 0.295 181 V C 0.864 177.072 176.094 0.190 0.000 1.025 181 V CA 0.287 62.698 62.300 0.184 0.000 0.859 181 V CB 0.711 32.633 31.823 0.164 0.000 0.988 181 V HN 1.810 nan 8.190 nan 0.000 0.431 182 A N 5.570 128.505 122.820 0.191 0.000 3.158 182 A HA 1.024 5.344 4.320 0.000 0.000 0.217 182 A C -0.309 177.314 177.584 0.064 0.000 1.469 182 A CA -0.566 51.559 52.037 0.146 0.000 0.885 182 A CB 1.091 20.184 19.000 0.155 0.000 1.662 182 A HN 1.088 nan 8.150 nan 0.000 0.512 183 I N -3.587 116.982 120.570 -0.002 0.000 3.195 183 I HA 0.688 4.858 4.170 0.000 0.000 0.313 183 I C -1.334 174.746 176.117 -0.062 0.000 1.237 183 I CA -1.168 60.127 61.300 -0.009 0.000 0.963 183 I CB 1.942 39.953 38.000 0.017 0.000 1.278 183 I HN 0.256 nan 8.210 nan 0.000 0.460 184 V N 2.868 122.755 119.914 -0.045 0.000 2.407 184 V HA 0.659 4.780 4.120 0.000 0.000 0.278 184 V C 0.856 176.920 176.094 -0.051 0.000 1.037 184 V CA -0.286 61.973 62.300 -0.068 0.000 0.900 184 V CB 0.972 32.763 31.823 -0.054 0.000 0.983 184 V HN 0.910 nan 8.190 nan 0.000 0.459 185 A N 3.732 126.512 122.820 -0.066 0.000 2.332 185 A HA 0.432 4.752 4.320 0.000 0.000 0.258 185 A C 1.518 179.067 177.584 -0.058 0.000 1.087 185 A CA 0.294 52.295 52.037 -0.060 0.000 0.802 185 A CB 0.374 19.326 19.000 -0.080 0.000 1.042 185 A HN 1.191 nan 8.150 nan 0.000 0.489 186 S N 0.657 116.326 115.700 -0.052 0.000 2.469 186 S HA -0.177 4.293 4.470 0.000 0.000 0.238 186 S C 1.005 175.572 174.600 -0.054 0.000 0.998 186 S CA 1.288 59.459 58.200 -0.049 0.000 0.957 186 S CB -0.534 62.636 63.200 -0.050 0.000 0.764 186 S HN 0.907 nan 8.310 nan 0.000 0.514 187 N N 1.044 119.706 118.700 -0.064 0.000 2.322 187 N HA 0.242 4.982 4.740 0.000 0.000 0.194 187 N C 1.210 176.679 175.510 -0.067 0.000 1.126 187 N CA 0.621 53.633 53.050 -0.063 0.000 0.845 187 N CB -0.322 38.124 38.487 -0.069 0.000 0.976 187 N HN 0.585 nan 8.380 nan 0.000 0.475 188 G N -0.239 108.519 108.800 -0.071 0.000 2.217 188 G HA2 -0.289 3.671 3.960 0.000 0.000 0.246 188 G HA3 -0.289 3.671 3.960 0.000 0.000 0.246 188 G C -0.277 174.555 174.900 -0.113 0.000 0.990 188 G CA -0.133 44.918 45.100 -0.082 0.000 0.627 188 G HN 0.476 nan 8.290 nan 0.000 0.522 189 N N 0.927 119.560 118.700 -0.112 0.000 2.492 189 N HA 0.430 5.171 4.740 0.000 0.000 0.262 189 N C 0.744 176.154 175.510 -0.165 0.000 1.202 189 N CA 0.070 53.039 53.050 -0.134 0.000 0.926 189 N CB 0.547 38.987 38.487 -0.078 0.000 1.078 189 N HN 0.402 nan 8.380 nan 0.000 0.454 190 L N 1.564 122.627 121.223 -0.266 0.000 2.367 190 L HA 0.306 4.647 4.340 0.000 0.000 0.275 190 L C -0.237 176.567 176.870 -0.111 0.000 1.129 190 L CA -0.518 54.155 54.840 -0.278 0.000 0.839 190 L CB 0.486 42.269 42.059 -0.460 0.000 1.133 190 L HN 0.102 nan 8.230 nan 0.000 0.453 191 V N 3.938 123.802 119.914 -0.083 0.000 2.443 191 V HA 0.337 4.458 4.120 0.000 0.000 0.293 191 V C -0.884 175.250 176.094 0.067 0.000 1.021 191 V CA -0.604 61.739 62.300 0.071 0.000 0.848 191 V CB 1.404 33.256 31.823 0.048 0.000 0.998 191 V HN 0.431 nan 8.190 nan 0.000 0.424 192 Y N 6.094 126.598 120.300 0.339 0.000 2.328 192 Y HA 0.482 5.032 4.550 0.000 0.000 0.337 192 Y C -2.171 173.920 175.900 0.318 0.000 0.966 192 Y CA -2.706 55.580 58.100 0.311 0.000 1.136 192 Y CB 2.456 41.120 38.460 0.339 0.000 1.170 192 Y HN 0.437 nan 8.280 nan 0.000 0.470 193 P HA 0.113 nan 4.420 nan 0.000 0.281 193 P C -0.872 176.649 177.300 0.367 0.000 1.252 193 P CA -0.095 63.241 63.100 0.393 0.000 0.778 193 P CB 1.225 33.132 31.700 0.344 0.000 0.895 194 V N 1.333 121.462 119.914 0.358 0.000 2.960 194 V HA 0.626 4.746 4.120 0.000 0.000 0.315 194 V C -0.379 175.863 176.094 0.247 0.000 1.087 194 V CA -1.152 61.309 62.300 0.269 0.000 0.982 194 V CB 1.766 33.745 31.823 0.261 0.000 1.039 194 V HN 0.556 nan 8.190 nan 0.000 0.437 195 Q N 1.827 121.740 119.800 0.188 0.000 2.290 195 Q HA 0.820 5.160 4.340 0.000 0.000 0.259 195 Q C -1.220 174.894 176.000 0.190 0.000 0.941 195 Q CA -0.750 55.163 55.803 0.182 0.000 0.912 195 Q CB 1.955 30.859 28.738 0.276 0.000 1.244 195 Q HN 0.648 nan 8.270 nan 0.000 0.441 196 V N 1.498 121.349 119.914 -0.105 0.000 2.823 196 V HA 0.614 4.734 4.120 0.000 0.000 0.312 196 V C -0.006 175.783 176.094 -0.510 0.000 1.072 196 V CA -0.786 61.362 62.300 -0.254 0.000 0.937 196 V CB 1.911 33.379 31.823 -0.593 0.000 1.013 196 V HN 1.005 nan 8.190 nan 0.000 0.430 197 T N 0.251 114.727 114.554 -0.131 0.000 2.918 197 T HA 0.690 5.040 4.350 0.000 0.000 0.286 197 T C -0.489 174.289 174.700 0.129 0.000 1.026 197 T CA -0.826 61.221 62.100 -0.089 0.000 1.031 197 T CB 1.930 70.701 68.868 -0.161 0.000 1.046 197 T HN 0.820 nan 8.240 nan 0.000 0.479 198 N N 0.400 119.236 118.700 0.226 0.000 2.741 198 N HA 0.403 5.144 4.740 0.000 0.000 0.310 198 N C 0.363 175.928 175.510 0.092 0.000 1.295 198 N CA -1.226 51.955 53.050 0.218 0.000 0.893 198 N CB 0.617 39.276 38.487 0.286 0.000 1.247 198 N HN 0.329 nan 8.380 nan 0.000 0.596 199 K N -0.133 120.313 120.400 0.076 0.000 2.525 199 K HA 0.094 4.415 4.320 0.000 0.000 0.192 199 K C 0.274 176.871 176.600 -0.005 0.000 1.029 199 K CA 0.423 56.730 56.287 0.033 0.000 1.029 199 K CB -0.099 32.416 32.500 0.025 0.000 0.814 199 K HN 0.585 nan 8.250 nan 0.000 0.503 200 K N 0.441 120.830 120.400 -0.018 0.000 2.404 200 K HA 0.082 4.402 4.320 0.000 0.000 0.194 200 K C -0.080 176.480 176.600 -0.067 0.000 1.023 200 K CA -0.029 56.221 56.287 -0.061 0.000 1.094 200 K CB 0.318 32.750 32.500 -0.113 0.000 0.841 200 K HN 0.007 nan 8.250 nan 0.000 0.523 201 K N 0.783 121.154 120.400 -0.047 0.000 3.339 201 K HA -0.200 4.121 4.320 0.000 0.000 0.299 201 K C -0.583 175.969 176.600 -0.080 0.000 1.270 201 K CA 0.617 56.858 56.287 -0.076 0.000 0.875 201 K CB -1.586 30.869 32.500 -0.075 0.000 1.298 201 K HN 0.325 nan 8.250 nan 0.000 0.485 202 Q N 0.350 120.118 119.800 -0.053 0.000 2.312 202 Q HA 0.530 4.871 4.340 0.000 0.000 0.236 202 Q C -0.251 175.827 176.000 0.131 0.000 0.965 202 Q CA -0.446 55.344 55.803 -0.022 0.000 0.894 202 Q CB 2.098 30.674 28.738 -0.271 0.000 1.225 202 Q HN 0.116 nan 8.270 nan 0.000 0.478 203 V N 2.631 122.657 119.914 0.187 0.000 2.715 203 V HA 0.786 4.906 4.120 0.000 0.000 0.310 203 V C -1.477 174.822 176.094 0.341 0.000 1.054 203 V CA -0.403 61.958 62.300 0.102 0.000 0.928 203 V CB 1.181 32.978 31.823 -0.043 0.000 1.007 203 V HN 0.714 nan 8.190 nan 0.000 0.437 204 F N 1.865 121.904 119.950 0.148 0.000 2.713 204 F HA 0.805 5.332 4.527 0.000 0.000 0.311 204 F C -0.710 175.117 175.800 0.045 0.000 1.141 204 F CA -0.865 57.158 58.000 0.039 0.000 0.939 204 F CB 1.299 40.239 39.000 -0.100 0.000 1.325 204 F HN 0.276 nan 8.300 nan 0.000 0.453 205 S N 1.501 117.267 115.700 0.110 0.000 2.501 205 S HA 0.744 5.214 4.470 0.000 0.000 0.301 205 S C -0.926 173.729 174.600 0.093 0.000 1.096 205 S CA -0.976 57.297 58.200 0.122 0.000 1.063 205 S CB 1.700 65.029 63.200 0.215 0.000 1.042 205 S HN 0.509 nan 8.310 nan 0.000 0.494 206 K N 1.092 121.724 120.400 0.385 0.000 2.439 206 K HA 0.524 4.844 4.320 0.000 0.000 0.260 206 K C -1.200 175.816 176.600 0.693 0.000 1.032 206 K CA -0.839 55.815 56.287 0.611 0.000 0.882 206 K CB 1.328 34.214 32.500 0.644 0.000 1.420 206 K HN 0.383 nan 8.250 nan 0.000 0.455 207 I N 1.767 122.755 120.570 0.697 0.000 2.331 207 I HA 0.327 4.498 4.170 0.000 0.000 0.292 207 I C -0.458 175.955 176.117 0.494 0.000 0.998 207 I CA -0.414 61.192 61.300 0.510 0.000 1.267 207 I CB 0.257 38.470 38.000 0.354 0.000 1.386 207 I HN 0.484 nan 8.210 nan 0.000 0.476 208 F N 9.558 129.632 119.950 0.207 0.000 2.460 208 F HA 0.534 5.061 4.527 0.000 0.000 0.341 208 F C -1.051 174.992 175.800 0.406 0.000 1.130 208 F CA -0.656 57.328 58.000 -0.026 0.000 0.962 208 F CB 0.970 39.802 39.000 -0.280 0.000 1.171 208 F HN 0.440 nan 8.300 nan 0.000 0.436 209 Y N 2.525 122.837 120.300 0.020 0.000 2.609 209 Y HA 0.767 5.318 4.550 0.000 0.000 0.342 209 Y C -1.418 174.225 175.900 -0.429 0.000 1.058 209 Y CA -1.602 56.473 58.100 -0.041 0.000 1.055 209 Y CB 1.495 39.919 38.460 -0.061 0.000 1.292 209 Y HN 0.400 nan 8.280 nan 0.000 0.476 210 S N 0.377 115.618 115.700 -0.765 0.000 2.547 210 S HA 0.411 4.881 4.470 0.000 0.000 0.281 210 S C -0.669 173.590 174.600 -0.568 0.000 1.118 210 S CA -0.641 56.890 58.200 -1.115 0.000 0.947 210 S CB 1.434 63.377 63.200 -2.096 0.000 1.053 210 S HN 0.854 nan 8.310 nan 0.000 0.482 211 E N 1.740 121.683 120.200 -0.427 0.000 2.481 211 E HA 0.106 4.456 4.350 0.000 0.000 0.198 211 E C -0.710 175.742 176.600 -0.247 0.000 1.027 211 E CA 0.111 56.372 56.400 -0.231 0.000 0.900 211 E CB 0.274 29.901 29.700 -0.122 0.000 0.993 211 E HN 0.740 nan 8.360 nan 0.000 0.482 212 D N -0.014 120.181 120.400 -0.342 0.000 2.945 212 D HA 0.050 4.691 4.640 0.000 0.000 0.366 212 D C -0.371 175.786 176.300 -0.239 0.000 1.352 212 D CA -0.411 53.443 54.000 -0.244 0.000 0.810 212 D CB 0.118 40.797 40.800 -0.202 0.000 1.170 212 D HN -0.188 nan 8.370 nan 0.000 0.461 213 E N -0.140 119.898 120.200 -0.271 0.000 2.971 213 E HA -0.209 4.141 4.350 0.000 0.000 0.278 213 E C 1.129 177.605 176.600 -0.207 0.000 1.009 213 E CA 1.029 57.307 56.400 -0.204 0.000 0.862 213 E CB -2.062 27.615 29.700 -0.038 0.000 1.436 213 E HN 0.966 nan 8.360 nan 0.000 0.434 214 G N -0.208 108.305 108.800 -0.478 0.000 2.132 214 G HA2 -0.358 3.602 3.960 0.000 0.000 0.228 214 G HA3 -0.358 3.602 3.960 0.000 0.000 0.228 214 G C 0.881 175.735 174.900 -0.076 0.000 1.000 214 G CA 0.633 45.487 45.100 -0.410 0.000 0.693 214 G HN 0.189 nan 8.290 nan 0.000 0.515 215 K N 0.054 120.352 120.400 -0.171 0.000 2.137 215 K HA 0.117 4.437 4.320 0.000 0.000 0.202 215 K C 1.592 178.186 176.600 -0.009 0.000 1.052 215 K CA 1.777 58.065 56.287 0.003 0.000 0.961 215 K CB -0.152 32.350 32.500 0.003 0.000 0.741 215 K HN 0.852 nan 8.250 nan 0.000 0.452 216 T N -2.574 111.763 114.554 -0.362 0.000 2.916 216 T HA 0.606 4.957 4.350 0.000 0.000 0.292 216 T C -1.056 172.942 174.700 -1.169 0.000 1.055 216 T CA -0.929 60.748 62.100 -0.706 0.000 1.009 216 T CB 1.601 70.264 68.868 -0.341 0.000 1.118 216 T HN 0.071 nan 8.240 nan 0.000 0.497 217 W N 0.253 120.625 121.300 -1.547 0.000 2.950 217 W HA 0.720 5.380 4.660 0.000 0.000 0.340 217 W C -0.340 175.735 176.519 -0.739 0.000 1.139 217 W CA -0.812 55.877 57.345 -1.092 0.000 1.188 217 W CB 2.217 30.974 29.460 -1.172 0.000 1.426 217 W HN 0.698 nan 8.180 nan 0.000 0.531 218 K N 1.037 121.123 120.400 -0.523 0.000 2.444 218 K HA 0.695 5.015 4.320 0.000 0.000 0.252 218 K C -1.629 174.857 176.600 -0.190 0.000 0.993 218 K CA -1.034 55.055 56.287 -0.329 0.000 0.847 218 K CB 2.287 34.414 32.500 -0.620 0.000 1.340 218 K HN 0.210 nan 8.250 nan 0.000 0.446 219 F N 0.259 120.292 119.950 0.137 0.000 2.480 219 F HA 0.406 4.933 4.527 0.000 0.000 0.329 219 F C 0.968 176.987 175.800 0.365 0.000 1.091 219 F CA -0.324 57.866 58.000 0.317 0.000 0.972 219 F CB 1.894 41.053 39.000 0.265 0.000 1.150 219 F HN 0.618 nan 8.300 nan 0.000 0.467 220 G N 2.135 111.322 108.800 0.644 0.000 2.606 220 G HA2 0.175 4.135 3.960 0.000 0.000 0.252 220 G HA3 0.175 4.135 3.960 0.000 0.000 0.252 220 G C 0.422 175.564 174.900 0.403 0.000 1.206 220 G CA -0.403 44.995 45.100 0.496 0.000 0.861 220 G HN 0.766 nan 8.290 nan 0.000 0.561 221 K N 0.456 121.026 120.400 0.285 0.000 2.262 221 K HA 0.084 4.404 4.320 0.000 0.000 0.200 221 K C 1.744 178.416 176.600 0.119 0.000 1.049 221 K CA 0.437 56.829 56.287 0.176 0.000 0.979 221 K CB 0.242 32.814 32.500 0.120 0.000 0.773 221 K HN 0.508 nan 8.250 nan 0.000 0.474 222 G N 1.709 110.631 108.800 0.203 0.000 2.588 222 G HA2 0.307 4.267 3.960 0.000 0.000 0.278 222 G HA3 0.307 4.267 3.960 0.000 0.000 0.278 222 G C -0.517 174.194 174.900 -0.316 0.000 1.307 222 G CA -0.418 44.723 45.100 0.068 0.000 1.016 222 G HN 0.303 nan 8.290 nan 0.000 0.503 223 R N -2.113 117.763 120.500 -1.040 0.000 2.687 223 R HA 0.493 4.833 4.340 0.000 0.000 0.265 223 R C -0.144 175.156 176.300 -1.666 0.000 1.048 223 R CA -0.337 54.940 56.100 -1.372 0.000 0.884 223 R CB 0.475 30.351 30.300 -0.707 0.000 1.258 223 R HN 0.787 nan 8.270 nan 0.000 0.469 224 S N 1.402 116.086 115.700 -1.693 0.000 2.612 224 S HA 0.486 4.957 4.470 0.000 0.000 0.253 224 S C 0.768 174.962 174.600 -0.677 0.000 1.346 224 S CA -0.295 57.167 58.200 -1.230 0.000 0.976 224 S CB 0.420 63.243 63.200 -0.629 0.000 0.949 224 S HN 0.905 nan 8.310 nan 0.000 0.584 225 A N 0.014 122.643 122.820 -0.317 0.000 2.406 225 A HA 0.488 4.809 4.320 0.000 0.000 0.243 225 A C 0.005 177.515 177.584 -0.124 0.000 1.082 225 A CA -0.635 51.296 52.037 -0.178 0.000 0.786 225 A CB -0.615 18.435 19.000 0.083 0.000 1.029 225 A HN 0.668 nan 8.150 nan 0.000 0.495 226 F N 0.379 120.352 119.950 0.038 0.000 2.572 226 F HA 0.368 4.896 4.527 0.000 0.000 0.370 226 F C 1.682 177.546 175.800 0.106 0.000 1.103 226 F CA 1.734 59.788 58.000 0.090 0.000 1.286 226 F CB 0.556 39.589 39.000 0.056 0.000 1.105 226 F HN 0.900 nan 8.300 nan 0.000 0.583 227 G N 1.027 110.020 108.800 0.321 0.000 2.201 227 G HA2 -0.252 3.708 3.960 0.000 0.000 0.212 227 G HA3 -0.252 3.708 3.960 0.000 0.000 0.212 227 G C -0.364 174.650 174.900 0.191 0.000 0.994 227 G CA -0.422 44.809 45.100 0.217 0.000 0.644 227 G HN 0.721 nan 8.290 nan 0.000 0.508 228 C N 3.266 122.687 119.300 0.202 0.000 2.349 228 C HA 0.724 5.184 4.460 0.000 0.000 0.348 228 C C 1.223 176.325 174.990 0.186 0.000 1.223 228 C CA 0.047 59.185 59.018 0.200 0.000 1.746 228 C CB -0.494 27.386 27.740 0.234 0.000 2.360 228 C HN 0.831 nan 8.230 nan 0.000 0.533 229 S N 1.415 117.223 115.700 0.181 0.000 2.766 229 S HA 0.541 5.012 4.470 0.000 0.000 0.307 229 S C -0.211 174.504 174.600 0.192 0.000 1.121 229 S CA -0.608 57.707 58.200 0.193 0.000 0.980 229 S CB 0.318 63.639 63.200 0.201 0.000 1.159 229 S HN 0.745 nan 8.310 nan 0.000 0.546 230 E N 1.258 121.575 120.200 0.194 0.000 2.103 230 E HA -0.134 4.217 4.350 0.000 0.000 0.186 230 E C -2.209 174.487 176.600 0.159 0.000 1.392 230 E CA 0.290 56.778 56.400 0.148 0.000 0.691 230 E CB -1.471 28.278 29.700 0.081 0.000 1.068 230 E HN 0.500 nan 8.360 nan 0.000 0.328 231 P HA 0.066 nan 4.420 nan 0.000 0.271 231 P C -0.402 177.046 177.300 0.246 0.000 1.216 231 P CA 0.058 63.311 63.100 0.255 0.000 0.776 231 P CB 1.446 33.343 31.700 0.328 0.000 0.881 232 V N 2.213 122.287 119.914 0.267 0.000 2.588 232 V HA 0.727 4.847 4.120 0.000 0.000 0.304 232 V C -0.781 175.563 176.094 0.417 0.000 1.042 232 V CA -0.684 61.801 62.300 0.309 0.000 0.877 232 V CB 1.537 33.532 31.823 0.287 0.000 0.996 232 V HN 0.828 nan 8.190 nan 0.000 0.425 233 A N 6.303 129.343 122.820 0.366 0.000 2.413 233 A HA 1.001 5.321 4.320 0.000 0.000 0.307 233 A C -1.232 176.468 177.584 0.194 0.000 1.087 233 A CA -0.609 51.627 52.037 0.332 0.000 0.750 233 A CB 1.796 20.927 19.000 0.219 0.000 1.296 233 A HN 1.588 nan 8.150 nan 0.000 0.423 234 L N -1.614 119.661 121.223 0.086 0.000 2.341 234 L HA 0.870 5.210 4.340 0.000 0.000 0.254 234 L C -0.462 176.433 176.870 0.043 0.000 1.040 234 L CA -0.678 54.143 54.840 -0.031 0.000 0.837 234 L CB 1.516 43.388 42.059 -0.312 0.000 1.425 234 L HN 0.710 nan 8.230 nan 0.000 0.414 235 E N 0.830 121.067 120.200 0.061 0.000 2.151 235 E HA 0.325 4.675 4.350 0.000 0.000 0.275 235 E C -2.035 174.678 176.600 0.188 0.000 0.936 235 E CA -0.652 55.801 56.400 0.089 0.000 0.777 235 E CB 1.253 30.970 29.700 0.029 0.000 1.108 235 E HN 0.677 nan 8.360 nan 0.000 0.401 236 W N 5.871 127.152 121.300 -0.033 0.000 2.647 236 W HA 0.205 4.865 4.660 0.000 0.000 0.328 236 W C -0.915 175.594 176.519 -0.016 0.000 1.018 236 W CA -0.516 56.818 57.345 -0.020 0.000 1.245 236 W CB 0.939 30.395 29.460 -0.006 0.000 1.356 236 W HN 0.767 nan 8.180 nan 0.000 0.443 237 E N 3.475 123.452 120.200 -0.371 0.000 2.320 237 E HA -0.229 4.121 4.350 0.000 0.000 0.234 237 E C 0.981 177.520 176.600 -0.102 0.000 1.183 237 E CA 1.143 57.365 56.400 -0.296 0.000 0.713 237 E CB -1.364 28.143 29.700 -0.321 0.000 1.226 237 E HN 1.026 nan 8.360 nan 0.000 0.382 238 G N -0.174 108.579 108.800 -0.079 0.000 2.199 238 G HA2 -0.349 3.611 3.960 0.000 0.000 0.254 238 G HA3 -0.349 3.611 3.960 0.000 0.000 0.254 238 G C 0.163 175.050 174.900 -0.021 0.000 0.982 238 G CA 0.889 45.959 45.100 -0.049 0.000 0.632 238 G HN 0.290 nan 8.290 nan 0.000 0.529 239 K N -0.054 120.360 120.400 0.023 0.000 2.318 239 K HA 0.703 5.024 4.320 0.000 0.000 0.249 239 K C 0.077 176.700 176.600 0.039 0.000 0.942 239 K CA -0.995 55.306 56.287 0.024 0.000 0.808 239 K CB 2.091 34.624 32.500 0.054 0.000 1.189 239 K HN 0.121 nan 8.250 nan 0.000 0.428 240 L N 3.203 124.413 121.223 -0.022 0.000 2.380 240 L HA 0.364 4.704 4.340 0.000 0.000 0.273 240 L C -0.044 176.837 176.870 0.018 0.000 1.138 240 L CA -0.349 54.483 54.840 -0.014 0.000 0.832 240 L CB 0.234 42.240 42.059 -0.088 0.000 1.124 240 L HN 0.400 nan 8.230 nan 0.000 0.454 241 I N 4.415 125.048 120.570 0.104 0.000 2.389 241 I HA 0.350 4.520 4.170 0.000 0.000 0.288 241 I C -0.603 175.682 176.117 0.280 0.000 0.999 241 I CA -0.424 60.986 61.300 0.183 0.000 1.129 241 I CB 1.867 40.017 38.000 0.249 0.000 1.288 241 I HN 0.435 nan 8.210 nan 0.000 0.444 242 I N 6.280 126.983 120.570 0.221 0.000 2.382 242 I HA 0.256 4.426 4.170 0.000 0.000 0.285 242 I C 0.015 176.296 176.117 0.273 0.000 1.007 242 I CA -0.228 61.235 61.300 0.272 0.000 1.142 242 I CB 1.108 39.227 38.000 0.198 0.000 1.289 242 I HN 0.466 nan 8.210 nan 0.000 0.453 243 N N 5.152 123.953 118.700 0.169 0.000 2.422 243 N HA 0.359 5.099 4.740 0.000 0.000 0.266 243 N C -0.679 174.898 175.510 0.113 0.000 1.007 243 N CA -0.172 52.845 53.050 -0.055 0.000 0.941 243 N CB 1.241 39.363 38.487 -0.609 0.000 1.115 243 N HN 0.671 nan 8.380 nan 0.000 0.492 244 T N 0.323 114.972 114.554 0.158 0.000 2.918 244 T HA 0.453 4.803 4.350 0.000 0.000 0.286 244 T C 0.218 175.020 174.700 0.171 0.000 1.026 244 T CA -0.993 61.236 62.100 0.214 0.000 1.031 244 T CB 1.842 70.889 68.868 0.299 0.000 1.046 244 T HN 0.489 nan 8.240 nan 0.000 0.479 245 R N 1.215 121.816 120.500 0.169 0.000 2.390 245 R HA 0.572 4.912 4.340 0.000 0.000 0.291 245 R C -1.433 174.951 176.300 0.140 0.000 1.070 245 R CA -0.552 55.638 56.100 0.150 0.000 1.014 245 R CB 0.486 30.863 30.300 0.129 0.000 1.007 245 R HN 0.584 nan 8.270 nan 0.000 0.466 246 V N 4.264 124.245 119.914 0.112 0.000 2.488 246 V HA 0.147 4.267 4.120 0.000 0.000 0.293 246 V C -0.828 175.289 176.094 0.039 0.000 1.027 246 V CA -1.071 61.288 62.300 0.098 0.000 0.862 246 V CB 1.485 33.370 31.823 0.103 0.000 1.008 246 V HN 0.803 nan 8.190 nan 0.000 0.428 247 D N 3.192 123.591 120.400 -0.002 0.000 2.458 247 D HA 0.257 4.897 4.640 0.000 0.000 0.243 247 D C 0.539 176.753 176.300 -0.143 0.000 1.146 247 D CA 0.813 54.676 54.000 -0.229 0.000 0.877 247 D CB 0.247 40.883 40.800 -0.273 0.000 1.176 247 D HN 0.672 nan 8.370 nan 0.000 0.461 248 Y N -0.360 119.943 120.300 0.004 0.000 4.798 248 Y HA -0.335 4.216 4.550 0.000 0.000 0.237 248 Y C 0.922 176.824 175.900 0.003 0.000 1.017 248 Y CA 0.655 58.748 58.100 -0.011 0.000 2.010 248 Y CB -0.811 37.641 38.460 -0.013 0.000 1.582 248 Y HN 0.319 nan 8.280 nan 0.000 0.621 249 R N -0.309 120.248 120.500 0.095 0.000 2.846 249 R HA 0.568 4.908 4.340 0.000 0.000 0.263 249 R C -0.246 176.065 176.300 0.020 0.000 1.080 249 R CA -1.370 54.767 56.100 0.062 0.000 0.961 249 R CB 0.935 31.279 30.300 0.074 0.000 1.231 249 R HN 0.071 nan 8.270 nan 0.000 0.465 250 R N 1.142 121.633 120.500 -0.015 0.000 2.543 250 R HA 0.196 4.537 4.340 0.000 0.000 0.277 250 R C 0.104 176.383 176.300 -0.035 0.000 1.074 250 R CA -0.143 55.921 56.100 -0.060 0.000 1.076 250 R CB 0.535 30.750 30.300 -0.141 0.000 0.993 250 R HN 0.221 nan 8.270 nan 0.000 0.459 251 R N 2.674 123.156 120.500 -0.030 0.000 2.502 251 R HA 0.003 4.343 4.340 0.000 0.000 0.292 251 R C -0.225 176.044 176.300 -0.050 0.000 0.998 251 R CA 0.263 56.365 56.100 0.004 0.000 1.056 251 R CB 0.170 30.500 30.300 0.050 0.000 0.939 251 R HN 0.335 nan 8.270 nan 0.000 0.411 252 L N 3.680 124.889 121.223 -0.022 0.000 2.307 252 L HA 0.409 4.749 4.340 0.000 0.000 0.282 252 L C -0.273 176.488 176.870 -0.182 0.000 1.051 252 L CA -0.833 53.925 54.840 -0.136 0.000 0.804 252 L CB 1.599 43.607 42.059 -0.084 0.000 1.197 252 L HN 0.306 nan 8.230 nan 0.000 0.431 253 V N 3.071 122.780 119.914 -0.340 0.000 2.540 253 V HA 0.455 4.575 4.120 0.000 0.000 0.302 253 V C -0.945 174.938 176.094 -0.353 0.000 1.035 253 V CA -0.698 61.462 62.300 -0.233 0.000 0.873 253 V CB 1.705 33.428 31.823 -0.168 0.000 0.992 253 V HN 0.437 nan 8.190 nan 0.000 0.428 254 Y N 1.499 121.873 120.300 0.123 0.000 2.524 254 Y HA 0.626 5.176 4.550 0.001 0.000 0.344 254 Y C 0.303 176.214 175.900 0.018 0.000 1.012 254 Y CA -0.835 57.347 58.100 0.136 0.000 1.068 254 Y CB 2.038 40.724 38.460 0.377 0.000 1.249 254 Y HN 0.571 nan 8.280 nan 0.000 0.468 255 E N 0.846 121.126 120.200 0.133 0.000 2.212 255 E HA 0.596 4.947 4.350 0.000 0.000 0.268 255 E C -1.278 175.276 176.600 -0.077 0.000 0.902 255 E CA -0.954 55.459 56.400 0.022 0.000 0.779 255 E CB 2.353 32.078 29.700 0.041 0.000 1.172 255 E HN 0.390 nan 8.360 nan 0.000 0.409 256 S N 0.740 116.343 115.700 -0.162 0.000 2.614 256 S HA 0.249 4.719 4.470 0.000 0.000 0.275 256 S C -0.307 174.209 174.600 -0.141 0.000 1.161 256 S CA -0.584 57.478 58.200 -0.229 0.000 0.969 256 S CB 1.262 64.148 63.200 -0.522 0.000 1.059 256 S HN 0.385 nan 8.310 nan 0.000 0.482 257 S N 2.478 118.124 115.700 -0.091 0.000 2.540 257 S HA 0.130 4.601 4.470 0.000 0.000 0.218 257 S C -0.105 174.445 174.600 -0.083 0.000 0.977 257 S CA -0.102 58.057 58.200 -0.068 0.000 0.918 257 S CB -0.073 63.105 63.200 -0.036 0.000 0.806 257 S HN 0.855 nan 8.310 nan 0.000 0.496 258 D N 0.148 120.490 120.400 -0.098 0.000 2.945 258 D HA 0.264 4.904 4.640 0.000 0.000 0.366 258 D C 0.310 176.521 176.300 -0.148 0.000 1.352 258 D CA -0.506 53.436 54.000 -0.098 0.000 0.810 258 D CB -0.277 40.499 40.800 -0.039 0.000 1.170 258 D HN -0.157 nan 8.370 nan 0.000 0.461 259 M N 0.774 120.234 119.600 -0.233 0.000 2.576 259 M HA -0.155 4.325 4.480 0.000 0.000 0.200 259 M C 1.150 177.359 176.300 -0.152 0.000 0.487 259 M CA 1.192 56.276 55.300 -0.360 0.000 0.553 259 M CB -2.031 30.045 32.600 -0.874 0.000 2.042 259 M HN 0.895 nan 8.290 nan 0.000 0.758 260 G N -1.034 107.712 108.800 -0.091 0.000 2.159 260 G HA2 -0.287 3.673 3.960 0.000 0.000 0.227 260 G HA3 -0.287 3.673 3.960 0.000 0.000 0.227 260 G C 0.681 175.791 174.900 0.350 0.000 0.986 260 G CA 0.406 45.575 45.100 0.115 0.000 0.651 260 G HN 0.495 nan 8.290 nan 0.000 0.523 261 N N 0.474 119.286 118.700 0.188 0.000 2.270 261 N HA 0.045 4.785 4.740 0.000 0.000 0.181 261 N C 1.174 176.822 175.510 0.231 0.000 1.016 261 N CA 1.799 54.969 53.050 0.200 0.000 0.870 261 N CB 0.031 38.589 38.487 0.119 0.000 0.979 261 N HN 0.843 nan 8.380 nan 0.000 0.431 262 T N -2.772 111.907 114.554 0.208 0.000 2.900 262 T HA 0.553 4.904 4.350 0.000 0.000 0.295 262 T C -1.364 173.489 174.700 0.255 0.000 1.044 262 T CA -0.775 61.471 62.100 0.243 0.000 0.995 262 T CB 1.540 70.482 68.868 0.124 0.000 1.072 262 T HN -0.002 nan 8.240 nan 0.000 0.473 263 W N 1.831 123.143 121.300 0.020 0.000 2.781 263 W HA 0.702 5.362 4.660 0.000 0.000 0.333 263 W C -1.274 175.308 176.519 0.105 0.000 1.047 263 W CA -1.013 56.358 57.345 0.044 0.000 1.236 263 W CB 1.862 31.269 29.460 -0.089 0.000 1.394 263 W HN 0.655 nan 8.180 nan 0.000 0.466 264 L N 3.116 124.532 121.223 0.322 0.000 2.341 264 L HA 0.451 4.792 4.340 0.000 0.000 0.278 264 L C 0.244 177.291 176.870 0.295 0.000 1.005 264 L CA -0.909 54.085 54.840 0.256 0.000 0.818 264 L CB 1.492 43.627 42.059 0.127 0.000 1.259 264 L HN 0.473 nan 8.230 nan 0.000 0.418 265 E N 3.531 123.881 120.200 0.249 0.000 2.415 265 E HA 0.255 4.605 4.350 0.000 0.000 0.263 265 E C -0.407 176.141 176.600 -0.087 0.000 0.995 265 E CA -0.069 56.319 56.400 -0.020 0.000 0.915 265 E CB 0.987 30.617 29.700 -0.117 0.000 0.951 265 E HN 0.782 nan 8.360 nan 0.000 0.449 266 A N 5.210 127.948 122.820 -0.137 0.000 3.037 266 A HA 0.129 4.449 4.320 0.000 0.000 0.272 266 A C 1.124 178.619 177.584 -0.148 0.000 1.723 266 A CA -0.122 51.849 52.037 -0.108 0.000 1.413 266 A CB -0.726 18.224 19.000 -0.083 0.000 1.112 266 A HN 0.619 nan 8.150 nan 0.000 0.606 267 V N -0.456 119.332 119.914 -0.210 0.000 2.809 267 V HA -0.012 4.108 4.120 0.000 0.000 0.256 267 V C 1.701 177.697 176.094 -0.162 0.000 1.080 267 V CA 2.067 64.163 62.300 -0.340 0.000 1.102 267 V CB -0.815 30.468 31.823 -0.899 0.000 0.705 267 V HN 0.547 nan 8.190 nan 0.000 0.475 268 G N 0.134 108.882 108.800 -0.087 0.000 2.985 268 G HA2 0.174 4.134 3.960 0.000 0.000 0.209 268 G HA3 0.174 4.134 3.960 0.000 0.000 0.209 268 G C 1.192 176.081 174.900 -0.017 0.000 1.165 268 G CA 1.113 46.218 45.100 0.008 0.000 0.776 268 G HN 0.690 nan 8.290 nan 0.000 0.541 269 T N -2.318 112.212 114.554 -0.040 0.000 3.425 269 T HA 0.234 4.584 4.350 0.000 0.000 0.225 269 T C 1.820 176.455 174.700 -0.109 0.000 0.992 269 T CA 0.024 62.076 62.100 -0.079 0.000 1.174 269 T CB 0.015 68.812 68.868 -0.118 0.000 1.240 269 T HN 0.000 nan 8.240 nan 0.000 0.350 270 L N 0.820 121.938 121.223 -0.175 0.000 2.749 270 L HA 0.447 4.788 4.340 0.000 0.000 0.242 270 L C 1.151 177.822 176.870 -0.332 0.000 1.103 270 L CA -0.277 54.367 54.840 -0.325 0.000 0.906 270 L CB 0.411 42.307 42.059 -0.272 0.000 1.228 270 L HN 0.237 nan 8.230 nan 0.000 0.517 271 S N 0.849 116.421 115.700 -0.213 0.000 2.552 271 S HA 0.125 4.595 4.470 0.000 0.000 0.289 271 S C 0.967 175.471 174.600 -0.160 0.000 1.304 271 S CA 0.165 58.242 58.200 -0.204 0.000 1.063 271 S CB 0.083 63.161 63.200 -0.203 0.000 0.848 271 S HN 0.425 nan 8.310 nan 0.000 0.499 272 R N 1.121 121.483 120.500 -0.229 0.000 3.954 272 R HA -0.161 4.180 4.340 0.000 0.000 0.422 272 R C 0.885 176.880 176.300 -0.507 0.000 1.091 272 R CA 0.874 56.763 56.100 -0.352 0.000 1.168 272 R CB -2.637 27.400 30.300 -0.439 0.000 1.752 272 R HN 0.484 nan 8.270 nan 0.000 0.547 273 V N -0.302 119.285 119.914 -0.546 0.000 2.302 273 V HA -0.095 4.025 4.120 0.000 0.000 0.243 273 V C 1.217 176.836 176.094 -0.791 0.000 1.036 273 V CA 1.522 63.352 62.300 -0.783 0.000 1.020 273 V CB -0.130 30.962 31.823 -1.219 0.000 0.657 273 V HN 0.236 nan 8.190 nan 0.000 0.453 274 W N 1.115 122.156 121.300 -0.431 0.000 2.332 274 W HA 0.602 5.262 4.660 0.000 0.000 0.306 274 W C 0.483 176.805 176.519 -0.328 0.000 1.149 274 W CA -0.683 56.404 57.345 -0.430 0.000 1.271 274 W CB 0.343 29.504 29.460 -0.498 0.000 1.243 274 W HN 0.150 nan 8.180 nan 0.000 0.459 275 G N 4.374 113.139 108.800 -0.058 0.000 2.377 275 G HA2 0.360 4.320 3.960 0.000 0.000 0.299 275 G HA3 0.360 4.320 3.960 0.000 0.000 0.299 275 G C -1.671 173.199 174.900 -0.049 0.000 1.150 275 G CA -1.159 43.910 45.100 -0.052 0.000 0.847 275 G HN 0.147 nan 8.290 nan 0.000 0.501 276 P HA 0.039 nan 4.420 nan 0.000 0.237 276 P C 0.253 177.658 177.300 0.176 0.000 1.178 276 P CA 0.504 63.681 63.100 0.129 0.000 0.766 276 P CB 0.314 32.074 31.700 0.100 0.000 0.876 277 S N -3.792 111.984 115.700 0.127 0.000 2.578 277 S HA 0.389 4.859 4.470 0.000 0.000 0.272 277 S C -2.783 171.894 174.600 0.128 0.000 1.145 277 S CA -1.237 57.055 58.200 0.153 0.000 0.835 277 S CB 1.315 64.575 63.200 0.099 0.000 1.104 277 S HN -0.344 nan 8.310 nan 0.000 0.458 278 P HA -0.102 nan 4.420 nan 0.000 0.217 278 P C 0.669 177.977 177.300 0.014 0.000 1.151 278 P CA 1.472 64.604 63.100 0.053 0.000 0.849 278 P CB 0.020 31.671 31.700 -0.081 0.000 0.787 279 K N -1.926 118.483 120.400 0.014 0.000 2.358 279 K HA 0.224 4.545 4.320 0.000 0.000 0.197 279 K C 0.364 176.972 176.600 0.013 0.000 1.025 279 K CA 0.164 56.453 56.287 0.003 0.000 1.104 279 K CB 0.091 32.588 32.500 -0.004 0.000 0.855 279 K HN -0.120 nan 8.250 nan 0.000 0.531 280 S N 2.523 118.239 115.700 0.028 0.000 3.682 280 S HA -0.109 4.361 4.470 0.000 0.000 0.354 280 S C -0.038 174.593 174.600 0.051 0.000 1.034 280 S CA 1.055 59.272 58.200 0.028 0.000 1.084 280 S CB -1.363 61.836 63.200 -0.003 0.000 0.903 280 S HN 0.669 nan 8.310 nan 0.000 0.470 281 N N -0.183 118.560 118.700 0.072 0.000 2.517 281 N HA 0.198 4.938 4.740 0.000 0.000 0.285 281 N C -0.421 175.221 175.510 0.219 0.000 1.528 281 N CA -0.518 52.610 53.050 0.130 0.000 0.892 281 N CB 0.452 38.978 38.487 0.064 0.000 1.356 281 N HN 0.302 nan 8.380 nan 0.000 0.495 282 Q N -0.214 119.656 119.800 0.116 0.000 2.544 282 Q HA 0.574 4.914 4.340 0.000 0.000 0.291 282 Q C -2.905 172.859 176.000 -0.393 0.000 1.068 282 Q CA -1.685 54.098 55.803 -0.034 0.000 0.785 282 Q CB 1.531 30.234 28.738 -0.059 0.000 1.481 282 Q HN 0.026 nan 8.270 nan 0.000 0.430 283 P HA 0.018 nan 4.420 nan 0.000 0.267 283 P C -0.116 176.994 177.300 -0.315 0.000 1.201 283 P CA 0.487 63.133 63.100 -0.756 0.000 0.775 283 P CB 0.433 31.506 31.700 -1.045 0.000 0.854 284 G N 0.379 109.082 108.800 -0.160 0.000 2.695 284 G HA2 0.538 4.498 3.960 0.000 0.000 0.213 284 G HA3 0.538 4.498 3.960 0.000 0.000 0.213 284 G C -0.688 174.258 174.900 0.076 0.000 1.406 284 G CA -0.277 44.853 45.100 0.050 0.000 1.049 284 G HN 0.556 nan 8.290 nan 0.000 0.573 285 S N -2.054 113.691 115.700 0.075 0.000 2.596 285 S HA 0.385 4.855 4.470 0.000 0.000 0.270 285 S C -0.925 173.578 174.600 -0.162 0.000 1.155 285 S CA -0.544 57.627 58.200 -0.048 0.000 0.827 285 S CB 1.755 64.760 63.200 -0.325 0.000 1.130 285 S HN 0.725 nan 8.310 nan 0.000 0.467 286 Q N 1.529 121.031 119.800 -0.496 0.000 2.417 286 Q HA 0.499 4.839 4.340 0.000 0.000 0.241 286 Q C -1.088 174.688 176.000 -0.372 0.000 1.008 286 Q CA 0.444 55.905 55.803 -0.569 0.000 0.901 286 Q CB 0.981 28.980 28.738 -1.231 0.000 1.259 286 Q HN 0.641 nan 8.270 nan 0.000 0.489 287 S N 1.190 116.756 115.700 -0.224 0.000 2.536 287 S HA 0.282 4.752 4.470 0.000 0.000 0.271 287 S C -1.300 173.235 174.600 -0.108 0.000 1.134 287 S CA -0.588 57.465 58.200 -0.246 0.000 0.897 287 S CB 1.841 64.891 63.200 -0.251 0.000 1.094 287 S HN 0.624 nan 8.310 nan 0.000 0.473 288 S N 1.650 117.274 115.700 -0.126 0.000 2.562 288 S HA 0.775 5.245 4.470 0.000 0.000 0.275 288 S C -1.400 173.318 174.600 0.196 0.000 1.281 288 S CA -0.235 57.994 58.200 0.048 0.000 1.045 288 S CB 0.183 63.408 63.200 0.042 0.000 0.962 288 S HN 0.527 nan 8.310 nan 0.000 0.503 289 F N 4.121 124.139 119.950 0.113 0.000 3.152 289 F HA 0.401 4.928 4.527 0.000 0.000 0.367 289 F C -0.502 175.405 175.800 0.177 0.000 1.272 289 F CA -0.349 57.776 58.000 0.209 0.000 1.172 289 F CB 1.063 40.229 39.000 0.277 0.000 1.552 289 F HN 0.656 nan 8.300 nan 0.000 0.616 290 T N 1.885 116.417 114.554 -0.037 0.000 2.896 290 T HA 0.936 5.286 4.350 0.000 0.000 0.297 290 T C -0.908 173.758 174.700 -0.058 0.000 1.108 290 T CA -0.784 61.289 62.100 -0.045 0.000 1.004 290 T CB 1.892 70.813 68.868 0.088 0.000 1.159 290 T HN 0.910 nan 8.240 nan 0.000 0.499 291 A N 1.428 124.257 122.820 0.015 0.000 2.318 291 A HA 0.885 5.206 4.320 0.000 0.000 0.324 291 A C 0.078 177.753 177.584 0.152 0.000 1.170 291 A CA -0.599 51.512 52.037 0.123 0.000 0.810 291 A CB 0.664 19.785 19.000 0.202 0.000 1.198 291 A HN 1.917 nan 8.150 nan 0.000 0.484 292 V N -0.705 119.317 119.914 0.180 0.000 3.206 292 V HA 0.884 5.004 4.120 0.000 0.000 0.305 292 V C -0.544 175.651 176.094 0.168 0.000 1.257 292 V CA -0.631 61.780 62.300 0.184 0.000 1.057 292 V CB 1.614 33.557 31.823 0.200 0.000 1.075 292 V HN 0.714 nan 8.190 nan 0.000 0.443 293 T N 2.922 117.592 114.554 0.194 0.000 2.833 293 T HA 0.716 5.066 4.350 0.000 0.000 0.297 293 T C -0.536 174.284 174.700 0.199 0.000 1.015 293 T CA 0.079 62.275 62.100 0.160 0.000 0.963 293 T CB 0.499 69.446 68.868 0.132 0.000 0.955 293 T HN 0.639 nan 8.240 nan 0.000 0.449 294 I N 2.778 123.394 120.570 0.077 0.000 2.436 294 I HA 0.308 4.478 4.170 0.000 0.000 0.289 294 I C 0.131 176.276 176.117 0.048 0.000 1.010 294 I CA -0.722 60.594 61.300 0.027 0.000 1.098 294 I CB 1.463 39.344 38.000 -0.198 0.000 1.266 294 I HN 0.546 nan 8.210 nan 0.000 0.434 295 E N 4.764 125.012 120.200 0.079 0.000 2.360 295 E HA -0.262 4.088 4.350 0.000 0.000 0.238 295 E C 1.020 177.652 176.600 0.054 0.000 1.186 295 E CA 1.044 57.476 56.400 0.054 0.000 0.719 295 E CB -1.443 28.268 29.700 0.019 0.000 1.236 295 E HN 1.220 nan 8.360 nan 0.000 0.386 296 G N -0.275 108.566 108.800 0.068 0.000 2.179 296 G HA2 -0.374 3.586 3.960 0.000 0.000 0.260 296 G HA3 -0.374 3.586 3.960 0.000 0.000 0.260 296 G C 0.240 175.180 174.900 0.067 0.000 0.977 296 G CA 0.588 45.724 45.100 0.060 0.000 0.641 296 G HN 0.380 nan 8.290 nan 0.000 0.533 297 M N 0.676 120.326 119.600 0.084 0.000 2.167 297 M HA 0.676 5.156 4.480 0.000 0.000 0.333 297 M C 0.286 176.668 176.300 0.137 0.000 1.030 297 M CA -1.170 54.198 55.300 0.114 0.000 0.963 297 M CB 0.931 33.620 32.600 0.148 0.000 1.589 297 M HN 0.056 nan 8.290 nan 0.000 0.431 298 R N 3.902 124.478 120.500 0.126 0.000 2.446 298 R HA 0.317 4.657 4.340 0.000 0.000 0.314 298 R C -1.015 175.514 176.300 0.382 0.000 1.003 298 R CA 0.098 56.292 56.100 0.156 0.000 1.018 298 R CB -0.310 29.957 30.300 -0.055 0.000 0.945 298 R HN 0.543 nan 8.270 nan 0.000 0.419 299 V N 1.107 121.249 119.914 0.382 0.000 3.156 299 V HA 0.666 4.786 4.120 0.000 0.000 0.311 299 V C -0.263 176.030 176.094 0.331 0.000 1.208 299 V CA -1.203 61.343 62.300 0.411 0.000 1.063 299 V CB 2.362 34.352 31.823 0.278 0.000 1.098 299 V HN 0.594 nan 8.190 nan 0.000 0.452 300 M N 1.729 121.446 119.600 0.196 0.000 2.321 300 M HA 0.615 5.096 4.480 0.000 0.000 0.315 300 M C -1.516 174.915 176.300 0.219 0.000 1.052 300 M CA -0.353 55.013 55.300 0.110 0.000 0.936 300 M CB 2.014 34.583 32.600 -0.052 0.000 1.639 300 M HN 0.567 nan 8.290 nan 0.000 0.433 301 L N 3.345 124.694 121.223 0.210 0.000 2.329 301 L HA 0.671 5.011 4.340 0.000 0.000 0.279 301 L C -1.146 175.968 176.870 0.406 0.000 1.014 301 L CA -0.578 54.428 54.840 0.276 0.000 0.814 301 L CB 1.515 43.678 42.059 0.173 0.000 1.257 301 L HN 0.552 nan 8.230 nan 0.000 0.424 302 F N 1.941 122.035 119.950 0.239 0.000 2.561 302 F HA 0.649 5.177 4.527 0.000 0.000 0.313 302 F C -0.342 175.505 175.800 0.078 0.000 1.126 302 F CA -0.314 57.766 58.000 0.134 0.000 0.918 302 F CB 2.021 40.939 39.000 -0.138 0.000 1.199 302 F HN 0.493 nan 8.300 nan 0.000 0.444 303 T N 2.812 116.878 114.554 -0.812 0.000 2.885 303 T HA 0.544 4.895 4.350 0.000 0.000 0.285 303 T C -1.415 172.752 174.700 -0.888 0.000 1.019 303 T CA -0.611 61.138 62.100 -0.585 0.000 1.010 303 T CB 1.773 70.468 68.868 -0.289 0.000 1.022 303 T HN 0.834 nan 8.240 nan 0.000 0.466 304 H N 1.683 120.446 119.070 -0.512 0.000 3.123 304 H HA 0.368 4.924 4.556 0.000 0.000 0.346 304 H C -3.298 171.974 175.328 -0.093 0.000 1.138 304 H CA -1.416 54.432 56.048 -0.332 0.000 1.273 304 H CB 2.638 32.219 29.762 -0.300 0.000 1.926 304 H HN 0.474 nan 8.280 nan 0.000 0.524 305 P HA 0.136 nan 4.420 nan 0.000 0.278 305 P C 0.923 178.355 177.300 0.220 0.000 1.238 305 P CA -0.420 62.670 63.100 -0.016 0.000 0.794 305 P CB 1.698 33.323 31.700 -0.125 0.000 0.955 306 L N 0.811 122.087 121.223 0.088 0.000 2.240 306 L HA -0.041 4.299 4.340 0.000 0.000 0.211 306 L C 0.857 177.840 176.870 0.188 0.000 1.106 306 L CA 0.694 55.611 54.840 0.128 0.000 0.793 306 L CB -0.868 41.119 42.059 -0.120 0.000 0.927 306 L HN 0.496 nan 8.230 nan 0.000 0.446 307 N N -0.337 118.421 118.700 0.096 0.000 2.738 307 N HA -0.254 4.486 4.740 0.000 0.000 0.249 307 N C 0.598 176.275 175.510 0.278 0.000 1.047 307 N CA 0.362 53.499 53.050 0.144 0.000 0.707 307 N CB -1.456 37.110 38.487 0.131 0.000 0.937 307 N HN 0.320 nan 8.380 nan 0.000 0.545 308 F N 0.068 120.045 119.950 0.046 0.000 2.161 308 F HA -0.227 4.300 4.527 0.000 0.000 0.300 308 F C 2.130 177.945 175.800 0.026 0.000 1.089 308 F CA 1.058 59.079 58.000 0.035 0.000 1.282 308 F CB -0.001 39.018 39.000 0.031 0.000 1.010 308 F HN 0.211 nan 8.300 nan 0.000 0.485 309 K N 0.287 120.818 120.400 0.218 0.000 2.211 309 K HA 0.081 4.402 4.320 0.000 0.000 0.203 309 K C 1.038 177.691 176.600 0.089 0.000 1.050 309 K CA 0.527 56.889 56.287 0.126 0.000 0.945 309 K CB -0.397 32.160 32.500 0.095 0.000 0.732 309 K HN 0.390 nan 8.250 nan 0.000 0.451 310 G N 0.746 109.595 108.800 0.083 0.000 2.760 310 G HA2 -0.299 3.662 3.960 0.000 0.000 0.246 310 G HA3 -0.299 3.662 3.960 0.000 0.000 0.246 310 G C -0.424 174.478 174.900 0.003 0.000 1.359 310 G CA -0.208 44.912 45.100 0.034 0.000 0.861 310 G HN 0.324 nan 8.290 nan 0.000 0.541 311 R N -2.257 118.191 120.500 -0.087 0.000 3.835 311 R HA -0.240 4.100 4.340 0.000 0.000 0.455 311 R C 1.128 177.284 176.300 -0.239 0.000 0.241 311 R CA 2.362 58.334 56.100 -0.214 0.000 1.439 311 R CB -1.314 29.020 30.300 0.056 0.000 0.987 311 R HN 0.807 nan 8.270 nan 0.000 0.570 312 W N 1.244 122.573 121.300 0.048 0.000 3.239 312 W HA 0.239 4.899 4.660 0.000 0.000 0.368 312 W C 1.528 178.069 176.519 0.037 0.000 1.154 312 W CA -0.184 57.182 57.345 0.036 0.000 1.860 312 W CB -0.052 29.422 29.460 0.023 0.000 1.094 312 W HN 0.338 nan 8.180 nan 0.000 0.643 313 L N 0.717 122.058 121.223 0.197 0.000 2.046 313 L HA -0.097 4.243 4.340 0.000 0.000 0.208 313 L C 1.029 177.951 176.870 0.086 0.000 1.077 313 L CA 1.309 56.222 54.840 0.122 0.000 0.747 313 L CB -0.645 41.466 42.059 0.088 0.000 0.896 313 L HN -0.066 nan 8.230 nan 0.000 0.432 314 R N 1.581 122.126 120.500 0.075 0.000 3.079 314 R HA -0.136 4.204 4.340 0.000 0.000 0.254 314 R C -0.564 175.740 176.300 0.007 0.000 0.900 314 R CA 0.544 56.670 56.100 0.044 0.000 0.641 314 R CB -1.730 28.607 30.300 0.062 0.000 1.307 314 R HN 0.583 nan 8.270 nan 0.000 0.477 315 D N 0.886 121.282 120.400 -0.008 0.000 2.348 315 D HA 0.286 4.927 4.640 0.000 0.000 0.249 315 D C 0.025 176.254 176.300 -0.118 0.000 1.110 315 D CA -0.686 53.283 54.000 -0.051 0.000 0.967 315 D CB 0.664 41.439 40.800 -0.042 0.000 1.139 315 D HN 0.283 nan 8.370 nan 0.000 0.466 316 R N -0.807 119.604 120.500 -0.149 0.000 3.125 316 R HA -0.190 4.151 4.340 0.000 0.000 0.258 316 R C -0.538 175.657 176.300 -0.176 0.000 0.968 316 R CA -0.218 55.756 56.100 -0.210 0.000 0.656 316 R CB -1.895 28.175 30.300 -0.384 0.000 1.251 316 R HN 0.457 nan 8.270 nan 0.000 0.428 317 L N 1.494 122.608 121.223 -0.182 0.000 2.584 317 L HA 0.080 4.421 4.340 0.000 0.000 0.272 317 L C 0.277 177.038 176.870 -0.181 0.000 1.195 317 L CA 0.784 55.503 54.840 -0.201 0.000 0.920 317 L CB 0.349 42.205 42.059 -0.339 0.000 1.173 317 L HN 0.249 nan 8.230 nan 0.000 0.489 318 N N 3.299 121.932 118.700 -0.112 0.000 2.370 318 N HA 0.645 5.385 4.740 0.000 0.000 0.303 318 N C -1.504 173.909 175.510 -0.162 0.000 1.103 318 N CA -0.661 52.299 53.050 -0.150 0.000 0.848 318 N CB 1.400 39.840 38.487 -0.077 0.000 1.235 318 N HN 0.593 nan 8.380 nan 0.000 0.496 319 L N 2.481 123.533 121.223 -0.285 0.000 2.341 319 L HA 0.723 5.063 4.340 0.000 0.000 0.278 319 L C -1.815 174.873 176.870 -0.303 0.000 1.005 319 L CA -0.368 54.373 54.840 -0.165 0.000 0.818 319 L CB 0.660 42.662 42.059 -0.095 0.000 1.259 319 L HN 0.583 nan 8.230 nan 0.000 0.418 320 W N 5.111 126.496 121.300 0.142 0.000 2.882 320 W HA 0.735 5.395 4.660 0.001 0.000 0.345 320 W C -1.216 175.491 176.519 0.314 0.000 1.125 320 W CA -0.666 56.848 57.345 0.282 0.000 1.167 320 W CB 1.718 31.451 29.460 0.456 0.000 1.431 320 W HN 0.510 nan 8.180 nan 0.000 0.543 321 L N 1.663 123.260 121.223 0.623 0.000 2.455 321 L HA 0.884 5.224 4.340 0.000 0.000 0.264 321 L C -0.806 176.435 176.870 0.618 0.000 0.968 321 L CA -0.060 55.074 54.840 0.490 0.000 0.827 321 L CB 2.289 44.548 42.059 0.332 0.000 1.317 321 L HN 0.396 nan 8.230 nan 0.000 0.407 322 T N 1.088 115.952 114.554 0.516 0.000 2.932 322 T HA 0.432 4.782 4.350 0.000 0.000 0.318 322 T C -1.004 173.882 174.700 0.309 0.000 1.265 322 T CA -0.057 62.318 62.100 0.458 0.000 1.036 322 T CB 1.180 70.231 68.868 0.304 0.000 1.209 322 T HN 0.805 nan 8.240 nan 0.000 0.484 323 D N 2.836 123.381 120.400 0.242 0.000 2.427 323 D HA 0.176 4.817 4.640 0.000 0.000 0.224 323 D C 0.792 177.087 176.300 -0.009 0.000 1.157 323 D CA -0.266 53.850 54.000 0.193 0.000 0.828 323 D CB -0.647 40.316 40.800 0.272 0.000 0.974 323 D HN 0.789 nan 8.370 nan 0.000 0.498 324 N N -0.257 118.322 118.700 -0.201 0.000 2.878 324 N HA -0.257 4.483 4.740 0.000 0.000 0.247 324 N C 0.317 175.736 175.510 -0.152 0.000 1.021 324 N CA 1.117 54.017 53.050 -0.250 0.000 0.873 324 N CB -0.346 37.952 38.487 -0.315 0.000 1.128 324 N HN 0.442 nan 8.380 nan 0.000 0.571 325 Q N -0.772 118.928 119.800 -0.165 0.000 2.534 325 Q HA 0.213 4.553 4.340 0.000 0.000 0.207 325 Q C -0.141 175.716 176.000 -0.239 0.000 0.735 325 Q CA -0.142 55.514 55.803 -0.245 0.000 0.904 325 Q CB 0.473 29.033 28.738 -0.297 0.000 1.294 325 Q HN 0.110 nan 8.270 nan 0.000 0.553 326 R N 0.920 121.222 120.500 -0.330 0.000 2.486 326 R HA 0.559 4.899 4.340 0.000 0.000 0.286 326 R C -0.698 175.649 176.300 0.079 0.000 0.999 326 R CA 0.054 56.019 56.100 -0.226 0.000 0.993 326 R CB 1.268 31.155 30.300 -0.689 0.000 1.084 326 R HN 0.096 nan 8.270 nan 0.000 0.487 327 I N 2.396 123.135 120.570 0.281 0.000 2.439 327 I HA 0.271 4.441 4.170 0.000 0.000 0.285 327 I C -1.313 175.178 176.117 0.623 0.000 1.021 327 I CA -0.887 60.669 61.300 0.426 0.000 1.091 327 I CB 1.415 39.535 38.000 0.201 0.000 1.242 327 I HN 0.539 nan 8.210 nan 0.000 0.439 328 Y N 6.327 127.005 120.300 0.629 0.000 2.393 328 Y HA 0.418 4.969 4.550 0.000 0.000 0.341 328 Y C -0.054 176.099 175.900 0.421 0.000 0.988 328 Y CA -0.771 57.641 58.100 0.519 0.000 1.078 328 Y CB 1.441 40.179 38.460 0.463 0.000 1.203 328 Y HN 0.502 nan 8.280 nan 0.000 0.453 329 N N 4.698 123.068 118.700 -0.551 0.000 2.448 329 N HA 0.083 4.824 4.740 0.000 0.000 0.250 329 N C 0.396 175.389 175.510 -0.862 0.000 1.136 329 N CA 0.236 52.719 53.050 -0.945 0.000 0.953 329 N CB 0.863 38.836 38.487 -0.857 0.000 1.251 329 N HN 0.646 nan 8.380 nan 0.000 0.502 330 V N 2.198 121.869 119.914 -0.405 0.000 2.515 330 V HA 0.144 4.264 4.120 0.000 0.000 0.250 330 V C 1.439 177.413 176.094 -0.200 0.000 1.058 330 V CA 1.437 63.681 62.300 -0.092 0.000 1.064 330 V CB -1.452 30.377 31.823 0.010 0.000 0.675 330 V HN 0.886 nan 8.190 nan 0.000 0.461 331 G N -0.789 107.799 108.800 -0.354 0.000 2.343 331 G HA2 -0.057 3.903 3.960 0.000 0.000 0.465 331 G HA3 -0.057 3.903 3.960 0.000 0.000 0.465 331 G C -0.783 173.971 174.900 -0.244 0.000 1.282 331 G CA -0.304 44.630 45.100 -0.277 0.000 0.996 331 G HN 0.241 nan 8.290 nan 0.000 0.521 332 Q N -0.348 119.342 119.800 -0.183 0.000 2.296 332 Q HA 0.472 4.812 4.340 0.000 0.000 0.263 332 Q C 1.001 176.923 176.000 -0.129 0.000 1.026 332 Q CA -0.215 55.491 55.803 -0.162 0.000 0.912 332 Q CB 1.155 29.808 28.738 -0.140 0.000 1.198 332 Q HN 0.505 nan 8.270 nan 0.000 0.407 333 V N 2.747 122.573 119.914 -0.147 0.000 2.725 333 V HA -0.076 4.044 4.120 0.000 0.000 0.247 333 V C 0.997 177.045 176.094 -0.077 0.000 1.058 333 V CA 1.268 63.500 62.300 -0.113 0.000 1.080 333 V CB 0.136 31.872 31.823 -0.145 0.000 0.713 333 V HN 0.843 nan 8.190 nan 0.000 0.465 334 S N 0.025 115.638 115.700 -0.145 0.000 2.661 334 S HA 0.556 5.026 4.470 0.000 0.000 0.265 334 S C -0.415 174.182 174.600 -0.005 0.000 1.225 334 S CA -0.424 57.743 58.200 -0.056 0.000 0.986 334 S CB 1.117 64.229 63.200 -0.146 0.000 1.008 334 S HN 0.179 nan 8.310 nan 0.000 0.565 335 I N 1.132 121.719 120.570 0.029 0.000 2.406 335 I HA 0.565 4.735 4.170 0.000 0.000 0.290 335 I C 1.169 177.283 176.117 -0.005 0.000 0.999 335 I CA -0.086 61.219 61.300 0.010 0.000 1.124 335 I CB 1.003 39.018 38.000 0.025 0.000 1.289 335 I HN 1.120 nan 8.210 nan 0.000 0.441 336 G N 5.398 114.189 108.800 -0.015 0.000 2.634 336 G HA2 -0.346 3.614 3.960 0.000 0.000 0.309 336 G HA3 -0.346 3.614 3.960 0.000 0.000 0.309 336 G C 0.343 175.228 174.900 -0.025 0.000 1.265 336 G CA 0.681 45.773 45.100 -0.014 0.000 0.998 336 G HN 0.893 nan 8.290 nan 0.000 0.551 337 D N 1.727 122.120 120.400 -0.011 0.000 2.491 337 D HA 0.179 4.819 4.640 0.000 0.000 0.228 337 D C 0.872 177.165 176.300 -0.012 0.000 1.183 337 D CA 0.637 54.630 54.000 -0.013 0.000 0.827 337 D CB -0.591 40.218 40.800 0.015 0.000 0.989 337 D HN 0.959 nan 8.370 nan 0.000 0.494 338 E N 0.464 120.656 120.200 -0.013 0.000 2.392 338 E HA 0.004 4.354 4.350 0.000 0.000 0.264 338 E C -0.387 176.204 176.600 -0.015 0.000 1.024 338 E CA -0.501 55.894 56.400 -0.009 0.000 0.903 338 E CB 0.431 30.136 29.700 0.008 0.000 0.963 338 E HN -0.058 nan 8.360 nan 0.000 0.432 339 N N 2.073 120.761 118.700 -0.019 0.000 2.475 339 N HA 0.056 4.796 4.740 0.000 0.000 0.267 339 N C -0.975 174.535 175.510 -0.000 0.000 1.169 339 N CA 0.057 53.096 53.050 -0.019 0.000 0.947 339 N CB 1.118 39.577 38.487 -0.046 0.000 1.061 339 N HN 0.570 nan 8.380 nan 0.000 0.466 340 S N -0.836 114.872 115.700 0.013 0.000 2.479 340 S HA 0.510 4.980 4.470 0.000 0.000 0.169 340 S C 0.340 174.955 174.600 0.025 0.000 1.181 340 S CA -0.789 57.440 58.200 0.048 0.000 1.169 340 S CB 0.540 63.737 63.200 -0.006 0.000 1.384 340 S HN 0.541 nan 8.310 nan 0.000 0.412 341 A N 1.894 124.768 122.820 0.089 0.000 1.843 341 A HA 0.428 4.748 4.320 0.000 0.000 0.213 341 A C 0.116 177.855 177.584 0.260 0.000 1.239 341 A CA 0.799 52.919 52.037 0.139 0.000 0.606 341 A CB -0.428 18.676 19.000 0.173 0.000 0.903 341 A HN 0.684 nan 8.150 nan 0.000 0.455 342 Y N 0.891 121.195 120.300 0.007 0.000 2.304 342 Y HA 0.521 5.072 4.550 0.000 0.000 0.328 342 Y C 0.637 176.544 175.900 0.011 0.000 1.123 342 Y CA -1.192 56.899 58.100 -0.014 0.000 1.218 342 Y CB 0.814 39.272 38.460 -0.004 0.000 1.207 342 Y HN 0.379 nan 8.280 nan 0.000 0.495 343 S N 0.340 116.105 115.700 0.108 0.000 2.564 343 S HA 0.743 5.213 4.470 0.000 0.000 0.274 343 S C -0.937 173.701 174.600 0.063 0.000 1.124 343 S CA -0.962 57.290 58.200 0.087 0.000 0.869 343 S CB 2.226 65.423 63.200 -0.005 0.000 1.105 343 S HN 0.453 nan 8.310 nan 0.000 0.472 344 S N 0.875 116.637 115.700 0.103 0.000 2.614 344 S HA 0.636 5.106 4.470 0.000 0.000 0.288 344 S C -1.299 173.384 174.600 0.139 0.000 1.137 344 S CA -0.500 57.769 58.200 0.114 0.000 0.992 344 S CB 0.990 64.270 63.200 0.133 0.000 1.026 344 S HN 0.758 nan 8.310 nan 0.000 0.486 345 V N 5.742 125.736 119.914 0.134 0.000 2.398 345 V HA 0.606 4.726 4.120 0.000 0.000 0.286 345 V C -0.417 175.799 176.094 0.204 0.000 1.026 345 V CA -0.654 61.739 62.300 0.155 0.000 0.868 345 V CB 1.270 33.165 31.823 0.121 0.000 0.982 345 V HN 0.779 nan 8.190 nan 0.000 0.443 346 L N 5.895 127.277 121.223 0.265 0.000 2.362 346 L HA 0.602 4.942 4.340 0.000 0.000 0.275 346 L C -1.368 175.752 176.870 0.417 0.000 0.998 346 L CA -0.436 54.588 54.840 0.307 0.000 0.820 346 L CB 1.671 43.904 42.059 0.289 0.000 1.270 346 L HN 0.635 nan 8.230 nan 0.000 0.415 347 Y N 5.493 125.920 120.300 0.212 0.000 2.345 347 Y HA 0.570 5.120 4.550 0.000 0.000 0.331 347 Y C -1.025 174.994 175.900 0.198 0.000 0.959 347 Y CA -0.747 57.472 58.100 0.199 0.000 1.204 347 Y CB 0.763 39.302 38.460 0.131 0.000 1.135 347 Y HN 0.686 nan 8.280 nan 0.000 0.477 348 K N 5.247 125.638 120.400 -0.015 0.000 2.507 348 K HA 0.306 4.626 4.320 0.000 0.000 0.251 348 K C -1.037 175.491 176.600 -0.121 0.000 0.943 348 K CA -0.467 55.776 56.287 -0.074 0.000 0.794 348 K CB 1.015 33.538 32.500 0.039 0.000 1.188 348 K HN 0.711 nan 8.250 nan 0.000 0.428 349 D N 3.720 123.999 120.400 -0.201 0.000 2.689 349 D HA -0.203 4.437 4.640 0.000 0.000 0.237 349 D C -0.335 175.874 176.300 -0.152 0.000 1.148 349 D CA 1.878 55.797 54.000 -0.136 0.000 0.656 349 D CB -0.988 39.795 40.800 -0.029 0.000 1.050 349 D HN 1.018 nan 8.370 nan 0.000 0.426 350 D N -1.361 118.817 120.400 -0.372 0.000 2.811 350 D HA -0.221 4.419 4.640 0.000 0.000 0.231 350 D C -0.614 175.729 176.300 0.072 0.000 1.157 350 D CA 1.220 55.142 54.000 -0.129 0.000 0.716 350 D CB 0.045 40.874 40.800 0.048 0.000 1.077 350 D HN 0.268 nan 8.370 nan 0.000 0.428 351 K N -0.157 120.249 120.400 0.010 0.000 2.375 351 K HA 0.676 4.996 4.320 0.000 0.000 0.249 351 K C -0.754 175.886 176.600 0.066 0.000 0.942 351 K CA -1.039 55.261 56.287 0.021 0.000 0.806 351 K CB 1.986 34.504 32.500 0.030 0.000 1.227 351 K HN 0.099 nan 8.250 nan 0.000 0.430 352 L N 2.364 123.478 121.223 -0.182 0.000 2.362 352 L HA 0.503 4.843 4.340 0.000 0.000 0.275 352 L C -1.619 175.012 176.870 -0.398 0.000 0.998 352 L CA -0.396 54.427 54.840 -0.029 0.000 0.820 352 L CB 0.999 43.081 42.059 0.037 0.000 1.270 352 L HN 0.492 nan 8.230 nan 0.000 0.415 353 Y N 2.903 123.248 120.300 0.075 0.000 2.602 353 Y HA 0.706 5.256 4.550 0.001 0.000 0.342 353 Y C -0.406 175.475 175.900 -0.033 0.000 1.029 353 Y CA -0.682 57.383 58.100 -0.058 0.000 1.080 353 Y CB 2.092 40.540 38.460 -0.020 0.000 1.284 353 Y HN 0.671 nan 8.280 nan 0.000 0.485 354 C N 2.880 122.198 119.300 0.029 0.000 2.642 354 C HA 0.687 5.147 4.460 0.000 0.000 0.344 354 C C -1.690 173.349 174.990 0.081 0.000 1.110 354 C CA -0.752 58.321 59.018 0.091 0.000 1.298 354 C CB -0.061 27.740 27.740 0.102 0.000 1.827 354 C HN 0.787 nan 8.230 nan 0.000 0.467 355 L N 7.152 128.478 121.223 0.171 0.000 2.265 355 L HA 0.798 5.138 4.340 0.000 0.000 0.289 355 L C -0.232 176.750 176.870 0.187 0.000 1.033 355 L CA 0.710 55.662 54.840 0.187 0.000 0.814 355 L CB 0.516 42.720 42.059 0.241 0.000 1.203 355 L HN 0.958 nan 8.230 nan 0.000 0.423 356 H N 1.424 120.530 119.070 0.060 0.000 3.008 356 H HA 0.603 5.160 4.556 0.000 0.000 0.354 356 H C -1.334 174.022 175.328 0.047 0.000 1.252 356 H CA -0.957 55.118 56.048 0.045 0.000 1.117 356 H CB 0.880 30.659 29.762 0.028 0.000 1.857 356 H HN 0.565 nan 8.280 nan 0.000 0.547 357 E N 1.396 121.766 120.200 0.285 0.000 2.331 357 E HA 0.349 4.700 4.350 0.000 0.000 0.272 357 E C -0.207 176.529 176.600 0.226 0.000 1.036 357 E CA -0.529 55.994 56.400 0.205 0.000 0.864 357 E CB 1.368 31.196 29.700 0.213 0.000 1.035 357 E HN 0.547 nan 8.360 nan 0.000 0.408 358 I N -0.039 120.589 120.570 0.098 0.000 2.509 358 I HA 0.467 4.637 4.170 0.000 0.000 0.293 358 I C -0.749 175.321 176.117 -0.078 0.000 1.020 358 I CA -0.804 60.519 61.300 0.040 0.000 1.088 358 I CB 1.861 39.869 38.000 0.014 0.000 1.267 358 I HN 0.351 nan 8.210 nan 0.000 0.430 359 N N 3.967 122.559 118.700 -0.180 0.000 2.461 359 N HA 0.389 5.129 4.740 0.000 0.000 0.284 359 N C -1.569 173.772 175.510 -0.282 0.000 1.049 359 N CA -0.292 52.486 53.050 -0.453 0.000 0.889 359 N CB 1.705 39.747 38.487 -0.743 0.000 1.365 359 N HN 0.705 nan 8.380 nan 0.000 0.499 360 S N 2.633 118.182 115.700 -0.250 0.000 2.596 360 S HA 0.306 4.776 4.470 0.000 0.000 0.318 360 S C -0.221 174.293 174.600 -0.144 0.000 1.097 360 S CA -0.645 57.465 58.200 -0.149 0.000 1.080 360 S CB 0.748 63.891 63.200 -0.095 0.000 0.991 360 S HN 0.764 nan 8.310 nan 0.000 0.471 361 N N 3.042 121.681 118.700 -0.102 0.000 2.721 361 N HA -0.151 4.589 4.740 0.000 0.000 0.249 361 N C -0.557 174.924 175.510 -0.047 0.000 1.072 361 N CA 0.917 53.933 53.050 -0.056 0.000 0.710 361 N CB -0.805 37.664 38.487 -0.029 0.000 0.993 361 N HN 0.765 nan 8.380 nan 0.000 0.547 362 E N -3.296 116.834 120.200 -0.116 0.000 2.637 362 E HA -0.190 4.160 4.350 0.000 0.000 0.265 362 E C -0.609 176.045 176.600 0.090 0.000 1.073 362 E CA 0.879 57.267 56.400 -0.021 0.000 0.778 362 E CB -1.778 27.998 29.700 0.126 0.000 1.362 362 E HN 0.450 nan 8.360 nan 0.000 0.413 363 V N 0.891 120.725 119.914 -0.134 0.000 2.483 363 V HA 0.477 4.597 4.120 0.000 0.000 0.297 363 V C -0.419 175.574 176.094 -0.168 0.000 1.027 363 V CA -0.734 61.520 62.300 -0.076 0.000 0.855 363 V CB 1.223 32.938 31.823 -0.179 0.000 0.995 363 V HN 0.078 nan 8.190 nan 0.000 0.424 364 Y N 1.712 121.976 120.300 -0.059 0.000 2.364 364 Y HA 0.697 5.248 4.550 0.001 0.000 0.340 364 Y C 0.624 176.550 175.900 0.042 0.000 0.975 364 Y CA -0.419 57.672 58.100 -0.016 0.000 1.089 364 Y CB 2.380 40.824 38.460 -0.027 0.000 1.192 364 Y HN 0.625 nan 8.280 nan 0.000 0.454 365 S N 2.975 118.776 115.700 0.168 0.000 2.704 365 S HA 0.718 5.189 4.470 0.000 0.000 0.305 365 S C -0.983 173.681 174.600 0.107 0.000 1.107 365 S CA -0.961 57.338 58.200 0.165 0.000 0.993 365 S CB 1.324 64.569 63.200 0.075 0.000 1.110 365 S HN 0.451 nan 8.310 nan 0.000 0.534 366 L N 2.061 123.319 121.223 0.057 0.000 2.333 366 L HA 0.590 4.930 4.340 0.000 0.000 0.280 366 L C -0.434 176.431 176.870 -0.009 0.000 1.004 366 L CA -0.964 53.867 54.840 -0.015 0.000 0.820 366 L CB 1.553 43.520 42.059 -0.153 0.000 1.247 366 L HN 0.489 nan 8.230 nan 0.000 0.416 367 V N 0.022 119.854 119.914 -0.137 0.000 2.716 367 V HA 0.505 4.625 4.120 0.000 0.000 0.304 367 V C -0.750 175.330 176.094 -0.023 0.000 1.053 367 V CA -0.653 61.574 62.300 -0.122 0.000 0.984 367 V CB 1.763 33.420 31.823 -0.276 0.000 1.021 367 V HN 0.571 nan 8.190 nan 0.000 0.467 368 F N 3.569 123.502 119.950 -0.029 0.000 2.347 368 F HA 0.830 5.357 4.527 0.000 0.000 0.366 368 F C 0.202 176.078 175.800 0.126 0.000 1.107 368 F CA -0.498 57.555 58.000 0.088 0.000 1.058 368 F CB 0.413 39.505 39.000 0.153 0.000 1.236 368 F HN 0.941 nan 8.300 nan 0.000 0.456 369 A N 6.484 129.049 122.820 -0.425 0.000 2.337 369 A HA 0.717 5.037 4.320 0.000 0.000 0.329 369 A C -0.584 176.796 177.584 -0.341 0.000 1.146 369 A CA -0.953 50.928 52.037 -0.259 0.000 0.800 369 A CB 0.869 19.822 19.000 -0.078 0.000 1.220 369 A HN 0.828 nan 8.150 nan 0.000 0.472 370 R N 2.250 122.640 120.500 -0.182 0.000 2.204 370 R HA 0.290 4.630 4.340 0.000 0.000 0.341 370 R C -0.830 175.369 176.300 -0.168 0.000 1.035 370 R CA -0.226 55.752 56.100 -0.204 0.000 0.887 370 R CB 0.615 30.869 30.300 -0.077 0.000 1.114 370 R HN 0.625 nan 8.270 nan 0.000 0.473 371 L N 4.431 125.531 121.223 -0.204 0.000 2.437 371 L HA 0.053 4.393 4.340 0.000 0.000 0.243 371 L C 1.374 178.179 176.870 -0.109 0.000 1.346 371 L CA -0.184 54.585 54.840 -0.119 0.000 1.233 371 L CB 0.149 42.155 42.059 -0.089 0.000 1.436 371 L HN 0.572 nan 8.230 nan 0.000 0.416 372 V N 1.169 121.028 119.914 -0.092 0.000 2.307 372 V HA -0.183 3.937 4.120 0.000 0.000 0.245 372 V C 2.468 178.535 176.094 -0.045 0.000 1.045 372 V CA 2.230 64.490 62.300 -0.067 0.000 1.024 372 V CB -0.569 31.225 31.823 -0.048 0.000 0.651 372 V HN 0.815 nan 8.190 nan 0.000 0.449 373 G N -0.402 108.375 108.800 -0.037 0.000 2.418 373 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 373 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 373 G C 1.429 176.312 174.900 -0.028 0.000 1.158 373 G CA 0.957 46.041 45.100 -0.027 0.000 0.771 373 G HN 0.527 nan 8.290 nan 0.000 0.545 374 E N -0.135 120.045 120.200 -0.034 0.000 2.077 374 E HA -0.088 4.263 4.350 0.000 0.000 0.193 374 E C 2.299 178.877 176.600 -0.037 0.000 0.989 374 E CA 0.615 56.997 56.400 -0.030 0.000 0.800 374 E CB -0.374 29.304 29.700 -0.037 0.000 0.746 374 E HN 0.345 nan 8.360 nan 0.000 0.452 375 L N 1.091 122.285 121.223 -0.048 0.000 2.017 375 L HA -0.154 4.186 4.340 0.000 0.000 0.208 375 L C 2.304 179.139 176.870 -0.058 0.000 1.073 375 L CA 1.917 56.723 54.840 -0.057 0.000 0.745 375 L CB -0.490 41.549 42.059 -0.034 0.000 0.894 375 L HN 0.001 nan 8.230 nan 0.000 0.432 376 R N -0.325 120.149 120.500 -0.044 0.000 2.113 376 R HA -0.227 4.113 4.340 0.000 0.000 0.244 376 R C 2.338 178.602 176.300 -0.060 0.000 1.142 376 R CA 2.572 58.646 56.100 -0.043 0.000 0.953 376 R CB -0.557 29.725 30.300 -0.030 0.000 0.860 376 R HN 0.507 nan 8.270 nan 0.000 0.438 377 I N 0.497 121.038 120.570 -0.048 0.000 2.226 377 I HA -0.283 3.887 4.170 0.000 0.000 0.245 377 I C 2.329 178.369 176.117 -0.129 0.000 1.100 377 I CA 1.238 62.505 61.300 -0.054 0.000 1.374 377 I CB -0.174 37.839 38.000 0.021 0.000 1.057 377 I HN 0.256 nan 8.210 nan 0.000 0.413 378 I N 0.642 121.146 120.570 -0.110 0.000 2.208 378 I HA -0.336 3.834 4.170 0.000 0.000 0.245 378 I C 2.447 178.424 176.117 -0.233 0.000 1.097 378 I CA 1.595 62.789 61.300 -0.176 0.000 1.363 378 I CB -0.409 37.514 38.000 -0.128 0.000 1.051 378 I HN 0.195 nan 8.210 nan 0.000 0.413 379 K N 0.019 120.320 120.400 -0.164 0.000 2.097 379 K HA -0.147 4.173 4.320 0.000 0.000 0.205 379 K C 2.339 178.836 176.600 -0.173 0.000 1.050 379 K CA 1.460 57.659 56.287 -0.148 0.000 0.938 379 K CB -0.222 32.226 32.500 -0.086 0.000 0.718 379 K HN 0.203 nan 8.250 nan 0.000 0.442 380 S N 0.908 116.506 115.700 -0.170 0.000 2.351 380 S HA -0.143 4.328 4.470 0.000 0.000 0.220 380 S C 2.085 176.524 174.600 -0.268 0.000 1.035 380 S CA 1.370 59.466 58.200 -0.173 0.000 1.031 380 S CB -0.293 62.829 63.200 -0.131 0.000 0.928 380 S HN 0.076 nan 8.310 nan 0.000 0.433 381 V N 2.287 121.949 119.914 -0.421 0.000 2.282 381 V HA -0.200 3.920 4.120 0.000 0.000 0.249 381 V C 2.473 178.094 176.094 -0.788 0.000 1.057 381 V CA 2.115 64.009 62.300 -0.677 0.000 1.032 381 V CB -0.737 30.444 31.823 -1.070 0.000 0.645 381 V HN 0.512 nan 8.190 nan 0.000 0.447 382 L N -0.705 120.128 121.223 -0.650 0.000 2.191 382 L HA -0.201 4.139 4.340 0.000 0.000 0.212 382 L C 2.682 179.447 176.870 -0.174 0.000 1.103 382 L CA 1.358 55.926 54.840 -0.453 0.000 0.769 382 L CB -0.472 41.428 42.059 -0.265 0.000 0.908 382 L HN 0.401 nan 8.230 nan 0.000 0.438 383 Q N -0.709 118.982 119.800 -0.182 0.000 2.163 383 Q HA -0.078 4.263 4.340 0.000 0.000 0.198 383 Q C 2.395 178.329 176.000 -0.109 0.000 0.954 383 Q CA 1.236 56.973 55.803 -0.110 0.000 0.851 383 Q CB 0.259 28.927 28.738 -0.117 0.000 0.928 383 Q HN 0.450 nan 8.270 nan 0.000 0.459 384 S N 0.096 115.725 115.700 -0.119 0.000 2.368 384 S HA -0.132 4.338 4.470 0.000 0.000 0.225 384 S C 1.438 176.132 174.600 0.156 0.000 1.030 384 S CA 0.898 59.054 58.200 -0.073 0.000 0.999 384 S CB -0.275 62.963 63.200 0.064 0.000 0.844 384 S HN 0.422 nan 8.310 nan 0.000 0.459 385 W N 2.089 123.450 121.300 0.100 0.000 2.355 385 W HA 0.064 4.724 4.660 0.000 0.000 0.309 385 W C 2.394 179.041 176.519 0.213 0.000 1.206 385 W CA 0.364 57.879 57.345 0.283 0.000 1.284 385 W CB -1.080 28.557 29.460 0.295 0.000 1.145 385 W HN 0.281 nan 8.180 nan 0.000 0.502 386 K N 0.162 120.767 120.400 0.341 0.000 2.097 386 K HA -0.181 4.139 4.320 0.000 0.000 0.206 386 K C 1.726 178.387 176.600 0.101 0.000 1.049 386 K CA 1.584 57.991 56.287 0.201 0.000 0.933 386 K CB -0.241 32.328 32.500 0.114 0.000 0.717 386 K HN -0.028 nan 8.250 nan 0.000 0.442 387 N N 0.163 118.842 118.700 -0.035 0.000 2.135 387 N HA -0.133 4.608 4.740 0.000 0.000 0.186 387 N C 1.530 176.966 175.510 -0.122 0.000 1.027 387 N CA 1.365 54.294 53.050 -0.202 0.000 0.849 387 N CB -0.445 37.773 38.487 -0.448 0.000 1.002 387 N HN 0.347 nan 8.380 nan 0.000 0.425 388 W N 1.641 122.995 121.300 0.089 0.000 2.388 388 W HA -0.072 4.588 4.660 0.000 0.000 0.294 388 W C 1.804 178.463 176.519 0.234 0.000 1.212 388 W CA 0.034 57.446 57.345 0.113 0.000 1.271 388 W CB -0.107 29.262 29.460 -0.151 0.000 1.126 388 W HN 0.005 nan 8.180 nan 0.000 0.535 389 D N -0.337 120.334 120.400 0.450 0.000 2.097 389 D HA -0.192 4.448 4.640 0.000 0.000 0.195 389 D C 2.205 178.636 176.300 0.219 0.000 0.989 389 D CA 1.772 55.975 54.000 0.338 0.000 0.827 389 D CB -0.878 40.093 40.800 0.284 0.000 0.966 389 D HN -0.043 nan 8.370 nan 0.000 0.456 390 S N -0.596 115.210 115.700 0.176 0.000 2.359 390 S HA -0.262 4.208 4.470 0.000 0.000 0.224 390 S C 1.970 176.633 174.600 0.106 0.000 1.035 390 S CA 1.823 60.086 58.200 0.106 0.000 1.018 390 S CB -0.327 62.910 63.200 0.062 0.000 0.876 390 S HN 0.412 nan 8.310 nan 0.000 0.448 391 H N 0.954 120.057 119.070 0.054 0.000 2.319 391 H HA -0.003 4.553 4.556 0.001 0.000 0.299 391 H C 1.932 177.298 175.328 0.065 0.000 1.092 391 H CA 2.254 58.319 56.048 0.029 0.000 1.302 391 H CB -0.566 29.283 29.762 0.146 0.000 1.373 391 H HN 0.382 nan 8.280 nan 0.000 0.497 392 L N -0.672 120.540 121.223 -0.018 0.000 2.005 392 L HA -0.145 4.195 4.340 0.000 0.000 0.207 392 L C 2.686 179.508 176.870 -0.081 0.000 1.072 392 L CA 1.484 56.259 54.840 -0.109 0.000 0.744 392 L CB -0.595 41.484 42.059 0.034 0.000 0.895 392 L HN 0.247 nan 8.230 nan 0.000 0.433 393 S N -0.479 115.217 115.700 -0.006 0.000 2.440 393 S HA -0.142 4.328 4.470 0.000 0.000 0.238 393 S C 1.958 176.544 174.600 -0.024 0.000 1.010 393 S CA 1.407 59.604 58.200 -0.004 0.000 0.972 393 S CB -0.221 62.995 63.200 0.026 0.000 0.774 393 S HN 0.608 nan 8.310 nan 0.000 0.501 394 S N 0.149 115.824 115.700 -0.042 0.000 2.575 394 S HA 0.264 4.734 4.470 0.000 0.000 0.215 394 S C 0.429 174.996 174.600 -0.055 0.000 0.966 394 S CA -0.355 57.822 58.200 -0.038 0.000 0.911 394 S CB -0.390 62.794 63.200 -0.027 0.000 0.780 394 S HN 0.349 nan 8.310 nan 0.000 0.514 395 I N 2.167 122.683 120.570 -0.089 0.000 2.556 395 I HA 0.071 4.241 4.170 0.000 0.000 0.284 395 I C 0.626 176.715 176.117 -0.047 0.000 1.114 395 I CA -0.546 60.706 61.300 -0.080 0.000 1.418 395 I CB 0.538 38.471 38.000 -0.110 0.000 1.394 395 I HN 0.289 nan 8.210 nan 0.000 0.552 396 c N 7.557 126.140 118.600 -0.030 0.000 2.555 396 c HA 0.336 4.906 4.570 0.000 0.000 0.385 396 c C 0.994 175.067 174.090 -0.028 0.000 1.296 396 c CA -0.469 55.847 56.329 -0.022 0.000 1.757 396 c CB -1.142 41.361 42.510 -0.012 0.000 2.445 396 c HN 0.858 nan 8.230 nan 0.000 0.571 397 T N 4.846 119.381 114.554 -0.032 0.000 2.922 397 T HA 0.496 4.847 4.350 0.000 0.000 0.285 397 T C -2.770 171.908 174.700 -0.036 0.000 1.005 397 T CA -1.793 60.283 62.100 -0.040 0.000 1.061 397 T CB 1.143 69.984 68.868 -0.044 0.000 1.007 397 T HN 0.522 nan 8.240 nan 0.000 0.502 398 P HA 0.274 nan 4.420 nan 0.000 0.261 398 P C -0.024 177.259 177.300 -0.027 0.000 1.203 398 P CA 0.008 63.084 63.100 -0.040 0.000 0.767 398 P CB -0.140 31.524 31.700 -0.061 0.000 0.785 410 c N 1.554 120.148 118.600 -0.010 0.000 2.455 410 c HA 0.828 5.398 4.570 0.000 0.000 0.320 410 c C 1.206 175.287 174.090 -0.015 0.000 1.226 410 c CA 0.134 56.454 56.329 -0.014 0.000 1.569 410 c CB 0.660 43.162 42.510 -0.014 0.000 2.200 410 c HN 1.013 nan 8.230 nan 0.000 0.491 411 G N 2.468 111.256 108.800 -0.019 0.000 2.525 411 G HA2 0.470 4.430 3.960 0.000 0.000 0.276 411 G HA3 0.470 4.430 3.960 0.000 0.000 0.276 411 G C -2.694 172.193 174.900 -0.021 0.000 1.388 411 G CA -0.522 44.567 45.100 -0.019 0.000 1.050 411 G HN 0.548 nan 8.290 nan 0.000 0.520 412 P HA 0.279 nan 4.420 nan 0.000 0.266 412 P C 0.012 177.294 177.300 -0.029 0.000 1.195 412 P CA 0.093 63.178 63.100 -0.026 0.000 0.768 412 P CB 0.532 32.214 31.700 -0.030 0.000 0.838 413 A N 3.583 126.387 122.820 -0.027 0.000 2.540 413 A HA 0.115 4.435 4.320 0.000 0.000 0.239 413 A C 0.323 177.888 177.584 -0.030 0.000 1.061 413 A CA -0.216 51.805 52.037 -0.027 0.000 0.758 413 A CB -0.320 18.669 19.000 -0.019 0.000 0.991 413 A HN 0.421 nan 8.150 nan 0.000 0.502 414 V N 2.503 122.397 119.914 -0.032 0.000 2.720 414 V HA 0.074 4.195 4.120 0.000 0.000 0.307 414 V C 1.291 177.384 176.094 -0.002 0.000 1.071 414 V CA 0.883 63.168 62.300 -0.025 0.000 1.199 414 V CB 0.946 32.752 31.823 -0.029 0.000 0.900 414 V HN 0.977 nan 8.190 nan 0.000 0.494 415 T N 3.096 117.654 114.554 0.007 0.000 2.806 415 T HA 0.300 4.651 4.350 0.000 0.000 0.290 415 T C 0.955 175.755 174.700 0.166 0.000 0.966 415 T CA 0.061 62.186 62.100 0.041 0.000 1.060 415 T CB 0.877 69.726 68.868 -0.030 0.000 0.927 415 T HN 1.014 nan 8.240 nan 0.000 0.485 416 T N 1.530 116.151 114.554 0.111 0.000 3.069 416 T HA 0.212 4.562 4.350 0.000 0.000 0.252 416 T C 0.605 175.337 174.700 0.053 0.000 1.053 416 T CA -0.234 61.917 62.100 0.085 0.000 0.964 416 T CB -0.033 68.871 68.868 0.060 0.000 1.005 416 T HN 0.384 nan 8.240 nan 0.000 0.532 417 V N 2.589 122.547 119.914 0.074 0.000 2.450 417 V HA 0.466 4.586 4.120 0.000 0.000 0.281 417 V C 1.653 177.779 176.094 0.054 0.000 1.019 417 V CA 0.885 63.204 62.300 0.032 0.000 1.062 417 V CB -0.471 31.358 31.823 0.012 0.000 0.979 417 V HN 0.824 nan 8.190 nan 0.000 0.477 418 G N 4.250 113.022 108.800 -0.047 0.000 2.148 418 G HA2 -0.235 3.725 3.960 0.000 0.000 0.254 418 G HA3 -0.235 3.725 3.960 0.000 0.000 0.254 418 G C -0.098 174.660 174.900 -0.236 0.000 0.981 418 G CA 0.174 45.203 45.100 -0.117 0.000 0.670 418 G HN 0.850 nan 8.290 nan 0.000 0.528 419 L N 1.199 122.195 121.223 -0.378 0.000 2.369 419 L HA 0.614 4.955 4.340 0.000 0.000 0.279 419 L C 1.255 177.673 176.870 -0.753 0.000 1.108 419 L CA 0.372 54.703 54.840 -0.849 0.000 0.852 419 L CB 1.380 42.962 42.059 -0.795 0.000 1.169 419 L HN 0.011 nan 8.230 nan 0.000 0.452 420 V N 4.475 123.994 119.914 -0.657 0.000 2.922 420 V HA 0.453 4.574 4.120 0.000 0.000 0.242 420 V C 1.037 176.933 176.094 -0.330 0.000 1.094 420 V CA 0.851 62.854 62.300 -0.495 0.000 1.106 420 V CB 0.207 31.818 31.823 -0.353 0.000 0.799 420 V HN 0.890 nan 8.190 nan 0.000 0.474 421 G N -1.382 107.302 108.800 -0.194 0.000 2.660 421 G HA2 0.626 4.587 3.960 0.000 0.000 0.294 421 G HA3 0.626 4.587 3.960 0.000 0.000 0.294 421 G C -1.877 173.282 174.900 0.431 0.000 1.369 421 G CA -0.438 44.823 45.100 0.268 0.000 0.912 421 G HN 0.010 nan 8.290 nan 0.000 0.479 422 F N 1.631 121.758 119.950 0.296 0.000 2.991 422 F HA 0.413 4.940 4.527 0.001 0.000 0.355 422 F C -1.244 174.437 175.800 -0.200 0.000 1.262 422 F CA -1.070 56.963 58.000 0.056 0.000 1.127 422 F CB 1.078 40.157 39.000 0.132 0.000 1.447 422 F HN 0.265 nan 8.300 nan 0.000 0.584 423 L N 6.020 126.965 121.223 -0.464 0.000 2.255 423 L HA 0.425 4.765 4.340 0.000 0.000 0.289 423 L C 0.218 176.648 176.870 -0.733 0.000 1.046 423 L CA -0.027 54.202 54.840 -1.020 0.000 0.816 423 L CB 1.245 42.073 42.059 -2.052 0.000 1.197 423 L HN 0.594 nan 8.230 nan 0.000 0.427 424 S N 0.500 115.847 115.700 -0.587 0.000 4.359 424 S HA 0.129 4.600 4.470 0.000 0.000 0.202 424 S C 1.229 175.877 174.600 0.080 0.000 1.078 424 S CA 0.018 58.043 58.200 -0.291 0.000 1.776 424 S CB 0.147 62.892 63.200 -0.758 0.000 0.891 424 S HN 0.795 nan 8.310 nan 0.000 0.780 425 H N 1.552 120.549 119.070 -0.120 0.000 2.299 425 H HA 0.339 4.896 4.556 0.000 0.000 0.302 425 H C 0.511 175.828 175.328 -0.019 0.000 1.078 425 H CA 1.789 57.811 56.048 -0.044 0.000 1.323 425 H CB -0.538 29.191 29.762 -0.055 0.000 1.381 425 H HN 0.278 nan 8.280 nan 0.000 0.498 426 S N 0.408 116.086 115.700 -0.037 0.000 2.533 426 S HA 0.506 4.976 4.470 0.000 0.000 0.282 426 S C -0.216 174.377 174.600 -0.013 0.000 1.304 426 S CA 0.096 58.272 58.200 -0.041 0.000 1.063 426 S CB 0.902 64.117 63.200 0.025 0.000 0.881 426 S HN 0.638 nan 8.310 nan 0.000 0.493 427 A N 2.508 125.286 122.820 -0.069 0.000 2.610 427 A HA 0.817 5.137 4.320 0.000 0.000 0.291 427 A C -0.098 177.452 177.584 -0.058 0.000 1.086 427 A CA -0.822 51.189 52.037 -0.044 0.000 0.677 427 A CB 1.028 19.921 19.000 -0.178 0.000 1.278 427 A HN 0.765 nan 8.150 nan 0.000 0.414 428 T N -1.750 112.787 114.554 -0.028 0.000 2.841 428 T HA 0.539 4.890 4.350 0.000 0.000 0.276 428 T C 0.884 175.559 174.700 -0.043 0.000 1.003 428 T CA -0.148 61.937 62.100 -0.026 0.000 0.995 428 T CB 1.067 69.940 68.868 0.008 0.000 1.260 428 T HN 0.562 nan 8.240 nan 0.000 0.581 429 K N 0.518 120.899 120.400 -0.032 0.000 2.147 429 K HA -0.023 4.297 4.320 0.000 0.000 0.205 429 K C 1.854 178.442 176.600 -0.019 0.000 1.049 429 K CA 2.192 58.457 56.287 -0.037 0.000 0.936 429 K CB -0.860 31.625 32.500 -0.025 0.000 0.722 429 K HN 0.852 nan 8.250 nan 0.000 0.446 430 T N -3.172 111.386 114.554 0.008 0.000 3.043 430 T HA 0.319 4.669 4.350 0.000 0.000 0.272 430 T C -0.081 174.658 174.700 0.064 0.000 0.990 430 T CA -0.644 61.476 62.100 0.034 0.000 0.897 430 T CB 0.292 69.181 68.868 0.036 0.000 1.111 430 T HN 0.024 nan 8.240 nan 0.000 0.529 431 E N 0.072 120.311 120.200 0.066 0.000 2.367 431 E HA 0.392 4.742 4.350 0.000 0.000 0.273 431 E C -1.932 174.758 176.600 0.150 0.000 0.903 431 E CA -0.931 55.538 56.400 0.116 0.000 0.764 431 E CB 1.873 31.638 29.700 0.108 0.000 1.252 431 E HN 0.197 nan 8.360 nan 0.000 0.446 432 W N 2.845 124.115 121.300 -0.049 0.000 2.329 432 W HA 0.285 4.945 4.660 0.001 0.000 0.312 432 W C -0.616 175.835 176.519 -0.113 0.000 1.054 432 W CA -1.036 56.244 57.345 -0.108 0.000 1.245 432 W CB 0.725 30.103 29.460 -0.137 0.000 1.255 432 W HN 0.515 nan 8.180 nan 0.000 0.436 433 E N 3.133 123.444 120.200 0.185 0.000 2.259 433 E HA -0.030 4.320 4.350 0.000 0.000 0.281 433 E C -0.407 176.170 176.600 -0.038 0.000 1.037 433 E CA -0.198 56.246 56.400 0.074 0.000 0.854 433 E CB 0.857 30.605 29.700 0.080 0.000 1.051 433 E HN 0.184 nan 8.360 nan 0.000 0.409 434 D N 2.479 122.909 120.400 0.050 0.000 2.434 434 D HA -0.013 4.627 4.640 0.000 0.000 0.252 434 D C 0.652 177.001 176.300 0.081 0.000 1.185 434 D CA 0.147 54.222 54.000 0.125 0.000 0.886 434 D CB 1.059 42.077 40.800 0.363 0.000 1.148 434 D HN 0.504 nan 8.370 nan 0.000 0.483 435 A N 3.984 126.737 122.820 -0.111 0.000 2.019 435 A HA -0.190 4.130 4.320 0.000 0.000 0.219 435 A C 1.423 178.998 177.584 -0.016 0.000 1.164 435 A CA 1.033 52.886 52.037 -0.307 0.000 0.644 435 A CB -0.608 17.753 19.000 -1.065 0.000 0.805 435 A HN 0.739 nan 8.150 nan 0.000 0.449 436 Y N -1.360 119.117 120.300 0.294 0.000 2.490 436 Y HA 0.202 4.752 4.550 0.000 0.000 0.281 436 Y C 0.925 177.172 175.900 0.578 0.000 1.174 436 Y CA 0.467 58.849 58.100 0.469 0.000 1.295 436 Y CB 0.039 38.626 38.460 0.213 0.000 1.062 436 Y HN 0.341 nan 8.280 nan 0.000 0.522 437 R N -2.749 118.059 120.500 0.514 0.000 3.878 437 R HA -0.248 4.092 4.340 0.000 0.000 0.330 437 R C 0.522 177.185 176.300 0.605 0.000 1.186 437 R CA 0.665 57.043 56.100 0.464 0.000 0.885 437 R CB -2.533 27.968 30.300 0.335 0.000 1.377 437 R HN 0.435 nan 8.270 nan 0.000 0.523 438 C N -1.273 118.374 119.300 0.578 0.000 2.426 438 C HA 0.282 4.743 4.460 0.000 0.000 0.318 438 C C 0.912 176.108 174.990 0.344 0.000 1.451 438 C CA 0.297 59.635 59.018 0.534 0.000 2.090 438 C CB 0.711 28.767 27.740 0.527 0.000 2.151 438 C HN 0.244 nan 8.230 nan 0.000 0.608 439 V N 2.920 123.054 119.914 0.367 0.000 2.525 439 V HA 0.425 4.545 4.120 0.000 0.000 0.299 439 V C -1.226 175.181 176.094 0.521 0.000 1.034 439 V CA -0.424 62.065 62.300 0.314 0.000 0.863 439 V CB 1.620 33.478 31.823 0.059 0.000 0.999 439 V HN 0.399 nan 8.190 nan 0.000 0.423 440 N N 2.193 121.112 118.700 0.366 0.000 2.477 440 N HA 0.793 5.534 4.740 0.000 0.000 0.284 440 N C -0.214 175.460 175.510 0.274 0.000 1.182 440 N CA -0.369 52.843 53.050 0.270 0.000 0.949 440 N CB 2.149 40.746 38.487 0.182 0.000 1.204 440 N HN 0.828 nan 8.380 nan 0.000 0.526 441 A N 0.118 122.967 122.820 0.048 0.000 2.317 441 A HA 0.561 4.881 4.320 0.000 0.000 0.327 441 A C 0.081 177.765 177.584 0.168 0.000 1.178 441 A CA -0.628 51.462 52.037 0.088 0.000 0.817 441 A CB 0.252 19.143 19.000 -0.182 0.000 1.189 441 A HN 0.633 nan 8.150 nan 0.000 0.489 442 S N 1.149 116.953 115.700 0.174 0.000 2.610 442 S HA 0.708 5.178 4.470 0.000 0.000 0.273 442 S C 0.188 174.888 174.600 0.165 0.000 1.274 442 S CA 0.120 58.407 58.200 0.144 0.000 1.023 442 S CB 1.109 64.373 63.200 0.107 0.000 0.962 442 S HN 1.433 nan 8.310 nan 0.000 0.523 443 T N -2.091 112.554 114.554 0.152 0.000 2.906 443 T HA 0.821 5.172 4.350 0.000 0.000 0.295 443 T C -0.734 174.049 174.700 0.140 0.000 1.061 443 T CA -0.835 61.377 62.100 0.188 0.000 1.000 443 T CB 1.538 70.535 68.868 0.214 0.000 1.103 443 T HN 1.299 nan 8.240 nan 0.000 0.486 444 A N 1.993 124.915 122.820 0.171 0.000 2.449 444 A HA 0.761 5.081 4.320 0.000 0.000 0.302 444 A C -0.027 177.667 177.584 0.183 0.000 1.048 444 A CA -0.972 51.143 52.037 0.129 0.000 0.708 444 A CB 0.620 19.676 19.000 0.094 0.000 1.274 444 A HN 1.016 nan 8.150 nan 0.000 0.410 445 N N -1.165 117.601 118.700 0.111 0.000 2.740 445 N HA -0.162 4.578 4.740 0.000 0.000 0.248 445 N C -0.171 175.383 175.510 0.074 0.000 1.062 445 N CA 1.310 54.418 53.050 0.096 0.000 0.704 445 N CB -1.372 37.191 38.487 0.126 0.000 0.968 445 N HN 1.408 nan 8.380 nan 0.000 0.547 446 A N 0.059 122.858 122.820 -0.035 0.000 2.330 446 A HA 0.637 4.958 4.320 0.000 0.000 0.327 446 A C 0.141 177.543 177.584 -0.304 0.000 1.155 446 A CA -0.597 51.253 52.037 -0.313 0.000 0.803 446 A CB 1.380 20.154 19.000 -0.376 0.000 1.208 446 A HN 0.261 nan 8.150 nan 0.000 0.477 447 E N 2.538 122.504 120.200 -0.390 0.000 2.199 447 E HA 0.416 4.767 4.350 0.000 0.000 0.265 447 E C -0.575 175.808 176.600 -0.362 0.000 0.882 447 E CA -0.693 55.532 56.400 -0.291 0.000 0.759 447 E CB 0.982 30.553 29.700 -0.214 0.000 1.148 447 E HN 0.675 nan 8.360 nan 0.000 0.412 448 R N 1.717 122.032 120.500 -0.308 0.000 2.594 448 R HA 0.313 4.653 4.340 0.000 0.000 0.272 448 R C 0.059 176.207 176.300 -0.253 0.000 1.074 448 R CA -0.149 55.747 56.100 -0.340 0.000 1.105 448 R CB 0.946 31.064 30.300 -0.303 0.000 1.008 448 R HN 0.460 nan 8.270 nan 0.000 0.472 449 V N -0.592 119.179 119.914 -0.238 0.000 3.165 449 V HA 0.496 4.616 4.120 0.000 0.000 0.309 449 V C -2.699 173.383 176.094 -0.019 0.000 1.267 449 V CA -2.999 59.234 62.300 -0.112 0.000 1.067 449 V CB 1.803 33.567 31.823 -0.098 0.000 1.082 449 V HN 0.540 nan 8.190 nan 0.000 0.451 450 P HA 0.259 nan 4.420 nan 0.000 0.261 450 P C -0.169 177.263 177.300 0.218 0.000 1.203 450 P CA 0.715 63.941 63.100 0.211 0.000 0.767 450 P CB -0.214 31.540 31.700 0.090 0.000 0.785 451 N N 1.571 120.538 118.700 0.445 0.000 2.776 451 N HA -0.151 4.589 4.740 0.000 0.000 0.250 451 N C 0.470 176.099 175.510 0.199 0.000 1.112 451 N CA 1.716 54.929 53.050 0.272 0.000 0.733 451 N CB -1.472 37.130 38.487 0.192 0.000 1.097 451 N HN 0.704 nan 8.380 nan 0.000 0.558 452 G N -1.363 107.474 108.800 0.061 0.000 2.335 452 G HA2 0.524 4.484 3.960 0.000 0.000 0.291 452 G HA3 0.524 4.484 3.960 0.000 0.000 0.291 452 G C -1.864 172.764 174.900 -0.454 0.000 1.261 452 G CA -0.741 44.341 45.100 -0.029 0.000 0.871 452 G HN 0.106 nan 8.290 nan 0.000 0.491 453 L N 0.015 120.836 121.223 -0.671 0.000 2.409 453 L HA 0.670 5.011 4.340 0.000 0.000 0.262 453 L C -0.476 175.916 176.870 -0.795 0.000 0.992 453 L CA -0.890 53.381 54.840 -0.947 0.000 0.817 453 L CB 2.723 43.843 42.059 -1.565 0.000 1.350 453 L HN 0.632 nan 8.230 nan 0.000 0.411 454 K N 1.819 121.775 120.400 -0.742 0.000 2.292 454 K HA 0.658 4.978 4.320 0.000 0.000 0.257 454 K C -1.716 174.560 176.600 -0.540 0.000 0.940 454 K CA -0.345 55.693 56.287 -0.414 0.000 0.811 454 K CB 1.219 33.599 32.500 -0.200 0.000 1.120 454 K HN 0.305 nan 8.250 nan 0.000 0.428 455 F N 1.968 121.915 119.950 -0.005 0.000 2.522 455 F HA 0.727 5.254 4.527 0.000 0.000 0.324 455 F C -0.022 175.800 175.800 0.036 0.000 1.077 455 F CA -0.722 57.277 58.000 -0.001 0.000 0.944 455 F CB 2.452 41.458 39.000 0.010 0.000 1.175 455 F HN 0.589 nan 8.300 nan 0.000 0.468 456 A N 1.640 124.594 122.820 0.224 0.000 2.566 456 A HA 0.809 5.129 4.320 0.000 0.000 0.297 456 A C -0.428 177.226 177.584 0.115 0.000 1.059 456 A CA -0.230 51.893 52.037 0.144 0.000 0.691 456 A CB 1.328 20.380 19.000 0.087 0.000 1.282 456 A HN 1.760 nan 8.150 nan 0.000 0.401 457 G N -0.504 108.354 108.800 0.096 0.000 2.675 457 G HA2 0.320 4.281 3.960 0.000 0.000 0.686 457 G HA3 0.320 4.281 3.960 0.000 0.000 0.686 457 G C -0.423 174.520 174.900 0.072 0.000 1.215 457 G CA -0.509 44.635 45.100 0.074 0.000 0.777 457 G HN 1.801 nan 8.290 nan 0.000 0.638 458 V N 1.927 121.876 119.914 0.058 0.000 2.694 458 V HA 0.383 4.503 4.120 0.000 0.000 0.306 458 V C 2.007 178.137 176.094 0.059 0.000 1.054 458 V CA 2.430 64.763 62.300 0.056 0.000 1.161 458 V CB 0.667 32.516 31.823 0.044 0.000 0.916 458 V HN 2.846 nan 8.190 nan 0.000 0.490 459 G N 3.525 112.365 108.800 0.067 0.000 2.195 459 G HA2 -0.149 3.812 3.960 0.000 0.000 0.246 459 G HA3 -0.149 3.812 3.960 0.000 0.000 0.246 459 G C 0.568 175.512 174.900 0.073 0.000 0.984 459 G CA -0.045 45.094 45.100 0.065 0.000 0.633 459 G HN 1.384 nan 8.290 nan 0.000 0.525 460 G N -0.271 108.577 108.800 0.080 0.000 2.569 460 G HA2 0.750 4.710 3.960 0.000 0.000 0.249 460 G HA3 0.750 4.710 3.960 0.000 0.000 0.249 460 G C 0.683 175.573 174.900 -0.017 0.000 1.216 460 G CA 1.145 46.303 45.100 0.097 0.000 0.845 460 G HN 1.894 nan 8.290 nan 0.000 0.568 461 G N -1.373 107.346 108.800 -0.134 0.000 2.346 461 G HA2 0.558 4.518 3.960 0.000 0.000 0.294 461 G HA3 0.558 4.518 3.960 0.000 0.000 0.294 461 G C -0.821 173.900 174.900 -0.298 0.000 1.294 461 G CA -0.023 44.734 45.100 -0.571 0.000 0.962 461 G HN 1.939 nan 8.290 nan 0.000 0.508 462 A N -0.817 121.876 122.820 -0.211 0.000 2.386 462 A HA 0.893 5.213 4.320 0.000 0.000 0.311 462 A C -0.843 176.856 177.584 0.191 0.000 1.068 462 A CA -0.392 51.729 52.037 0.139 0.000 0.743 462 A CB 1.843 21.074 19.000 0.385 0.000 1.258 462 A HN 1.953 nan 8.150 nan 0.000 0.429 463 L N 1.730 123.084 121.223 0.218 0.000 2.349 463 L HA 0.656 4.996 4.340 0.000 0.000 0.278 463 L C -1.790 175.304 176.870 0.373 0.000 0.996 463 L CA -0.497 54.508 54.840 0.274 0.000 0.825 463 L CB 1.237 43.355 42.059 0.097 0.000 1.243 463 L HN 0.798 nan 8.230 nan 0.000 0.412 464 W N 8.702 130.158 121.300 0.259 0.000 2.299 464 W HA 0.468 5.128 4.660 0.001 0.000 0.319 464 W C -2.380 174.299 176.519 0.265 0.000 1.008 464 W CA -2.869 54.636 57.345 0.267 0.000 1.384 464 W CB 1.059 30.708 29.460 0.314 0.000 1.220 464 W HN 0.292 nan 8.180 nan 0.000 0.402 465 P HA 0.068 nan 4.420 nan 0.000 0.271 465 P C 0.097 177.387 177.300 -0.017 0.000 1.216 465 P CA 0.329 63.511 63.100 0.137 0.000 0.771 465 P CB 2.231 33.973 31.700 0.070 0.000 0.864 466 V N 2.721 122.590 119.914 -0.075 0.000 3.654 466 V HA -0.045 4.075 4.120 0.000 0.000 0.204 466 V C 2.475 178.483 176.094 -0.144 0.000 1.135 466 V CA 1.517 63.706 62.300 -0.186 0.000 1.368 466 V CB -1.196 30.396 31.823 -0.384 0.000 1.519 466 V HN 0.603 nan 8.190 nan 0.000 0.496 467 S N -0.271 115.361 115.700 -0.114 0.000 2.447 467 S HA -0.208 4.262 4.470 0.000 0.000 0.233 467 S C 1.692 176.256 174.600 -0.061 0.000 1.006 467 S CA 1.415 59.566 58.200 -0.082 0.000 0.957 467 S CB -0.534 62.628 63.200 -0.063 0.000 0.773 467 S HN 0.584 nan 8.310 nan 0.000 0.507 468 Q N 0.716 120.495 119.800 -0.035 0.000 2.508 468 Q HA -0.058 4.282 4.340 0.000 0.000 0.214 468 Q C 2.057 178.038 176.000 -0.031 0.000 0.979 468 Q CA 0.916 56.707 55.803 -0.021 0.000 0.911 468 Q CB -0.278 28.460 28.738 0.000 0.000 0.969 468 Q HN 0.750 nan 8.270 nan 0.000 0.504 469 Q N -0.699 119.063 119.800 -0.064 0.000 2.364 469 Q HA -0.071 4.269 4.340 0.000 0.000 0.207 469 Q C 1.149 177.129 176.000 -0.032 0.000 0.970 469 Q CA 0.581 56.346 55.803 -0.063 0.000 0.888 469 Q CB 0.109 28.767 28.738 -0.134 0.000 0.951 469 Q HN 0.493 nan 8.270 nan 0.000 0.469 470 G N 0.973 109.747 108.800 -0.043 0.000 2.650 470 G HA2 -0.469 3.492 3.960 0.000 0.000 0.264 470 G HA3 -0.469 3.492 3.960 0.000 0.000 0.264 470 G C 0.508 175.391 174.900 -0.028 0.000 1.263 470 G CA 0.404 45.489 45.100 -0.026 0.000 0.960 470 G HN 0.364 nan 8.290 nan 0.000 0.548 471 Q N 0.786 120.598 119.800 0.020 0.000 2.020 471 Q HA -0.016 4.324 4.340 0.000 0.000 0.202 471 Q C 0.895 176.889 176.000 -0.010 0.000 0.982 471 Q CA 1.806 57.631 55.803 0.037 0.000 0.838 471 Q CB -0.181 28.639 28.738 0.137 0.000 0.899 471 Q HN 0.659 nan 8.270 nan 0.000 0.423 472 N N 0.927 119.635 118.700 0.013 0.000 2.444 472 N HA 0.193 4.933 4.740 0.000 0.000 0.262 472 N C -1.567 173.830 175.510 -0.189 0.000 0.974 472 N CA -0.178 52.807 53.050 -0.107 0.000 0.933 472 N CB 1.506 40.029 38.487 0.060 0.000 1.137 472 N HN 0.120 nan 8.380 nan 0.000 0.498 473 Q N 1.926 121.535 119.800 -0.318 0.000 2.706 473 Q HA 0.223 4.564 4.340 0.000 0.000 0.250 473 Q C 0.368 176.173 176.000 -0.326 0.000 1.120 473 Q CA -0.318 55.314 55.803 -0.285 0.000 0.972 473 Q CB 0.790 29.376 28.738 -0.254 0.000 1.173 473 Q HN 0.450 nan 8.270 nan 0.000 0.522 474 R N -0.015 120.286 120.500 -0.331 0.000 2.159 474 R HA -0.127 4.213 4.340 0.000 0.000 0.237 474 R C 0.546 176.840 176.300 -0.009 0.000 1.131 474 R CA 1.363 57.318 56.100 -0.241 0.000 0.982 474 R CB 0.131 30.310 30.300 -0.201 0.000 0.868 474 R HN 0.537 nan 8.270 nan 0.000 0.453 475 Y N -1.021 119.075 120.300 -0.341 0.000 2.746 475 Y HA 0.067 4.617 4.550 0.000 0.000 0.312 475 Y C 1.219 176.636 175.900 -0.804 0.000 1.117 475 Y CA -0.679 56.974 58.100 -0.744 0.000 1.324 475 Y CB 0.190 38.256 38.460 -0.657 0.000 1.173 475 Y HN 0.158 nan 8.280 nan 0.000 0.529 476 H N 0.509 119.340 119.070 -0.399 0.000 2.524 476 H HA -0.154 4.402 4.556 0.000 0.000 0.282 476 H C 1.661 176.890 175.328 -0.164 0.000 1.016 476 H CA 1.118 57.002 56.048 -0.272 0.000 1.270 476 H CB -0.262 29.382 29.762 -0.195 0.000 1.394 476 H HN 0.542 nan 8.280 nan 0.000 0.568 477 F N -1.560 118.367 119.950 -0.037 0.000 2.234 477 F HA 0.109 4.636 4.527 0.000 0.000 0.299 477 F C 2.406 178.217 175.800 0.019 0.000 1.087 477 F CA 0.591 58.582 58.000 -0.015 0.000 1.340 477 F CB -0.848 38.134 39.000 -0.030 0.000 1.031 477 F HN 0.142 nan 8.300 nan 0.000 0.500 478 A N 1.217 123.803 122.820 -0.390 0.000 2.125 478 A HA -0.174 4.146 4.320 0.000 0.000 0.219 478 A C 1.913 179.507 177.584 0.017 0.000 1.156 478 A CA 1.558 53.583 52.037 -0.020 0.000 0.671 478 A CB -0.935 17.828 19.000 -0.396 0.000 0.794 478 A HN 0.532 nan 8.150 nan 0.000 0.459 479 N N -0.584 117.980 118.700 -0.226 0.000 2.381 479 N HA -0.100 4.640 4.740 0.000 0.000 0.182 479 N C 1.181 176.422 175.510 -0.448 0.000 1.025 479 N CA 1.207 54.040 53.050 -0.362 0.000 0.888 479 N CB -0.280 37.862 38.487 -0.575 0.000 0.965 479 N HN 0.696 nan 8.380 nan 0.000 0.438 480 H N -0.656 118.403 119.070 -0.019 0.000 2.545 480 H HA 0.470 5.026 4.556 0.000 0.000 0.283 480 H C 0.343 175.714 175.328 0.071 0.000 0.997 480 H CA 0.499 56.556 56.048 0.016 0.000 1.269 480 H CB 0.999 30.755 29.762 -0.011 0.000 1.451 480 H HN 0.059 nan 8.280 nan 0.000 0.508 481 A N 0.758 123.743 122.820 0.276 0.000 2.547 481 A HA 0.473 4.793 4.320 0.000 0.000 0.298 481 A C -1.669 176.122 177.584 0.344 0.000 1.062 481 A CA -0.633 51.517 52.037 0.189 0.000 0.748 481 A CB 0.785 19.842 19.000 0.095 0.000 1.288 481 A HN 0.232 nan 8.150 nan 0.000 0.396 482 F N -0.957 119.061 119.950 0.113 0.000 2.741 482 F HA 0.874 5.402 4.527 0.001 0.000 0.311 482 F C -0.839 174.987 175.800 0.044 0.000 1.149 482 F CA -0.653 57.419 58.000 0.120 0.000 0.930 482 F CB 1.321 40.441 39.000 0.200 0.000 1.312 482 F HN 0.397 nan 8.300 nan 0.000 0.450 483 T N 3.269 117.977 114.554 0.255 0.000 2.879 483 T HA 0.613 4.963 4.350 0.000 0.000 0.290 483 T C -1.779 173.073 174.700 0.253 0.000 0.993 483 T CA -0.380 61.795 62.100 0.125 0.000 0.975 483 T CB 1.465 70.326 68.868 -0.013 0.000 0.981 483 T HN 0.769 nan 8.240 nan 0.000 0.439 484 L N 5.077 126.429 121.223 0.214 0.000 2.322 484 L HA 0.848 5.188 4.340 0.000 0.000 0.281 484 L C -1.113 175.757 176.870 -0.000 0.000 1.014 484 L CA -0.452 54.412 54.840 0.040 0.000 0.815 484 L CB 1.413 43.420 42.059 -0.087 0.000 1.247 484 L HN 0.466 nan 8.230 nan 0.000 0.421 485 V N 3.773 123.680 119.914 -0.013 0.000 2.962 485 V HA 1.028 5.148 4.120 0.000 0.000 0.313 485 V C -0.455 175.594 176.094 -0.076 0.000 1.099 485 V CA -0.157 62.093 62.300 -0.084 0.000 0.971 485 V CB 1.581 33.386 31.823 -0.030 0.000 1.028 485 V HN 1.064 nan 8.190 nan 0.000 0.430 486 A N 2.043 124.772 122.820 -0.151 0.000 2.590 486 A HA 0.748 5.069 4.320 0.000 0.000 0.294 486 A C -0.928 176.647 177.584 -0.015 0.000 1.046 486 A CA -0.521 51.497 52.037 -0.031 0.000 0.684 486 A CB 1.572 20.576 19.000 0.006 0.000 1.279 486 A HN 0.638 nan 8.150 nan 0.000 0.415 487 S N 0.391 116.163 115.700 0.120 0.000 2.442 487 S HA 0.647 5.117 4.470 0.000 0.000 0.297 487 S C -0.071 174.625 174.600 0.159 0.000 1.131 487 S CA -0.172 58.137 58.200 0.181 0.000 1.092 487 S CB 1.022 64.349 63.200 0.213 0.000 0.998 487 S HN 1.836 nan 8.310 nan 0.000 0.478 488 V N 1.282 121.291 119.914 0.158 0.000 2.823 488 V HA 0.900 5.020 4.120 0.000 0.000 0.312 488 V C -0.571 175.586 176.094 0.105 0.000 1.072 488 V CA -0.516 61.855 62.300 0.119 0.000 0.937 488 V CB 1.974 33.843 31.823 0.077 0.000 1.013 488 V HN 0.671 nan 8.190 nan 0.000 0.430 489 T N 5.269 119.814 114.554 -0.014 0.000 2.937 489 T HA 0.634 4.985 4.350 0.000 0.000 0.297 489 T C -0.462 173.970 174.700 -0.447 0.000 0.991 489 T CA -0.104 61.917 62.100 -0.132 0.000 0.990 489 T CB 1.195 70.015 68.868 -0.080 0.000 0.991 489 T HN 0.696 nan 8.240 nan 0.000 0.440 490 I N 3.328 123.640 120.570 -0.430 0.000 2.365 490 I HA 0.289 4.460 4.170 0.000 0.000 0.291 490 I C 0.971 176.848 176.117 -0.400 0.000 1.004 490 I CA -0.648 60.316 61.300 -0.559 0.000 1.311 490 I CB 1.001 38.523 38.000 -0.797 0.000 1.401 490 I HN 0.752 nan 8.210 nan 0.000 0.491 491 H N 4.431 123.500 119.070 -0.003 0.000 2.740 491 H HA 0.358 4.914 4.556 0.001 0.000 0.265 491 H C -0.367 175.018 175.328 0.095 0.000 0.978 491 H CA 0.257 56.339 56.048 0.057 0.000 1.198 491 H CB 0.672 30.461 29.762 0.045 0.000 1.467 491 H HN 0.567 nan 8.280 nan 0.000 0.511 492 E N 0.832 121.144 120.200 0.188 0.000 2.321 492 E HA 0.248 4.598 4.350 0.000 0.000 0.281 492 E C -0.767 175.983 176.600 0.251 0.000 0.910 492 E CA -0.579 55.943 56.400 0.203 0.000 0.770 492 E CB 3.357 33.162 29.700 0.175 0.000 1.225 492 E HN -0.178 nan 8.360 nan 0.000 0.417 493 V N 3.412 123.481 119.914 0.258 0.000 2.694 493 V HA 0.057 4.177 4.120 0.000 0.000 0.306 493 V C -1.676 174.556 176.094 0.230 0.000 1.054 493 V CA -0.523 61.939 62.300 0.269 0.000 1.161 493 V CB -0.477 31.438 31.823 0.153 0.000 0.916 493 V HN 0.602 nan 8.190 nan 0.000 0.490 494 P HA 0.278 nan 4.420 nan 0.000 0.285 494 P C 0.340 177.677 177.300 0.061 0.000 1.269 494 P CA -0.889 62.279 63.100 0.114 0.000 0.844 494 P CB 1.340 33.026 31.700 -0.024 0.000 1.094 495 K N 0.451 120.873 120.400 0.036 0.000 2.097 495 K HA 0.010 4.331 4.320 0.000 0.000 0.206 495 K C 0.815 177.421 176.600 0.010 0.000 1.049 495 K CA 1.542 57.845 56.287 0.026 0.000 0.933 495 K CB -0.416 32.098 32.500 0.023 0.000 0.717 495 K HN 0.686 nan 8.250 nan 0.000 0.442 496 G N -0.886 107.904 108.800 -0.016 0.000 2.706 496 G HA2 0.536 4.496 3.960 0.000 0.000 0.307 496 G HA3 0.536 4.496 3.960 0.000 0.000 0.307 496 G C -1.598 173.252 174.900 -0.083 0.000 1.307 496 G CA -0.494 44.590 45.100 -0.027 0.000 0.790 496 G HN 0.241 nan 8.290 nan 0.000 0.503 497 A N -0.122 122.653 122.820 -0.075 0.000 2.566 497 A HA 0.535 4.856 4.320 0.000 0.000 0.245 497 A C 0.507 177.958 177.584 -0.222 0.000 1.056 497 A CA 0.801 52.759 52.037 -0.132 0.000 0.757 497 A CB -0.307 18.662 19.000 -0.052 0.000 0.979 497 A HN 1.021 nan 8.150 nan 0.000 0.508 498 S N 3.788 119.203 115.700 -0.476 0.000 2.542 498 S HA 0.755 5.225 4.470 0.000 0.000 0.293 498 S C -2.832 171.491 174.600 -0.462 0.000 1.089 498 S CA -1.006 56.892 58.200 -0.504 0.000 0.961 498 S CB 2.149 64.951 63.200 -0.664 0.000 1.062 498 S HN 0.697 nan 8.310 nan 0.000 0.483 499 P HA 0.419 nan 4.420 nan 0.000 0.286 499 P C -0.235 177.081 177.300 0.026 0.000 1.261 499 P CA -0.526 62.454 63.100 -0.199 0.000 0.821 499 P CB 1.343 32.639 31.700 -0.674 0.000 1.013 500 L N 1.130 122.439 121.223 0.143 0.000 2.588 500 L HA 0.363 4.704 4.340 0.000 0.000 0.194 500 L C 0.287 177.197 176.870 0.066 0.000 1.070 500 L CA 0.325 55.243 54.840 0.130 0.000 0.852 500 L CB 0.298 42.434 42.059 0.127 0.000 1.199 500 L HN 0.256 nan 8.230 nan 0.000 0.486 501 L N -0.660 120.572 121.223 0.015 0.000 2.545 501 L HA 0.758 5.098 4.340 0.000 0.000 0.258 501 L C -0.898 175.698 176.870 -0.457 0.000 0.942 501 L CA 0.048 54.764 54.840 -0.206 0.000 0.855 501 L CB 1.989 43.975 42.059 -0.123 0.000 1.374 501 L HN 0.078 nan 8.230 nan 0.000 0.411 502 G N 2.208 110.429 108.800 -0.965 0.000 2.322 502 G HA2 0.659 4.619 3.960 0.000 0.000 0.295 502 G HA3 0.659 4.619 3.960 0.000 0.000 0.295 502 G C -2.121 172.465 174.900 -0.524 0.000 1.369 502 G CA -0.145 44.492 45.100 -0.771 0.000 0.821 502 G HN 0.934 nan 8.290 nan 0.000 0.536 503 A N -0.011 122.776 122.820 -0.054 0.000 2.273 503 A HA 0.793 5.113 4.320 0.000 0.000 0.315 503 A C 0.182 177.772 177.584 0.011 0.000 1.256 503 A CA 0.101 52.105 52.037 -0.055 0.000 0.851 503 A CB 1.250 20.215 19.000 -0.057 0.000 1.172 503 A HN 1.662 nan 8.150 nan 0.000 0.508 504 S N 2.315 117.939 115.700 -0.126 0.000 2.480 504 S HA 0.444 4.914 4.470 0.000 0.000 0.286 504 S C 0.905 175.379 174.600 -0.210 0.000 1.180 504 S CA -0.643 57.465 58.200 -0.153 0.000 1.075 504 S CB 0.237 63.212 63.200 -0.374 0.000 0.996 504 S HN 0.596 nan 8.310 nan 0.000 0.487 505 L N 2.898 124.056 121.223 -0.107 0.000 2.341 505 L HA 0.177 4.517 4.340 0.000 0.000 0.214 505 L C 0.559 177.389 176.870 -0.068 0.000 1.115 505 L CA 0.361 55.147 54.840 -0.089 0.000 0.820 505 L CB -0.168 41.859 42.059 -0.054 0.000 0.944 505 L HN 0.685 nan 8.230 nan 0.000 0.452 506 D N -2.893 117.473 120.400 -0.056 0.000 2.533 506 D HA 0.087 4.728 4.640 0.000 0.000 0.247 506 D C 0.920 177.253 176.300 0.055 0.000 1.056 506 D CA -0.004 53.985 54.000 -0.019 0.000 1.054 506 D CB 0.873 41.653 40.800 -0.033 0.000 1.400 506 D HN -0.134 nan 8.370 nan 0.000 0.533 507 S N -0.400 115.336 115.700 0.059 0.000 2.419 507 S HA -0.206 4.264 4.470 0.000 0.000 0.233 507 S C 1.754 176.411 174.600 0.095 0.000 1.016 507 S CA 1.703 59.964 58.200 0.101 0.000 0.974 507 S CB -0.856 62.352 63.200 0.014 0.000 0.786 507 S HN 0.601 nan 8.310 nan 0.000 0.492 508 S N 0.513 116.207 115.700 -0.009 0.000 2.425 508 S HA 0.418 4.888 4.470 0.000 0.000 0.225 508 S C 1.770 176.223 174.600 -0.243 0.000 1.024 508 S CA 0.857 58.983 58.200 -0.123 0.000 0.951 508 S CB -0.663 62.430 63.200 -0.179 0.000 0.796 508 S HN 1.617 nan 8.310 nan 0.000 0.498 509 G N -0.097 108.585 108.800 -0.197 0.000 2.184 509 G HA2 -0.120 3.841 3.960 0.000 0.000 0.206 509 G HA3 -0.120 3.841 3.960 0.000 0.000 0.206 509 G C 0.929 175.608 174.900 -0.368 0.000 0.995 509 G CA 0.153 45.066 45.100 -0.311 0.000 0.651 509 G HN 0.938 nan 8.290 nan 0.000 0.511 510 G N 0.143 108.757 108.800 -0.310 0.000 2.404 510 G HA2 0.054 4.015 3.960 0.000 0.000 0.215 510 G HA3 0.054 4.015 3.960 0.000 0.000 0.215 510 G C 0.796 175.632 174.900 -0.106 0.000 1.174 510 G CA 1.258 46.227 45.100 -0.219 0.000 0.780 510 G HN 0.580 nan 8.290 nan 0.000 0.537 511 K N 1.074 121.426 120.400 -0.080 0.000 2.253 511 K HA 0.370 4.690 4.320 0.000 0.000 0.277 511 K C -0.703 175.886 176.600 -0.018 0.000 1.053 511 K CA -0.280 55.983 56.287 -0.039 0.000 0.892 511 K CB 0.477 32.954 32.500 -0.038 0.000 1.102 511 K HN 0.045 nan 8.250 nan 0.000 0.469 512 K N 4.090 124.501 120.400 0.019 0.000 2.221 512 K HA 0.153 4.473 4.320 0.000 0.000 0.258 512 K C 0.546 177.180 176.600 0.057 0.000 0.944 512 K CA -0.657 55.671 56.287 0.068 0.000 0.823 512 K CB 1.812 34.391 32.500 0.133 0.000 1.113 512 K HN 0.348 nan 8.250 nan 0.000 0.431 513 L N 3.107 124.365 121.223 0.059 0.000 2.049 513 L HA 0.195 4.536 4.340 0.000 0.000 0.203 513 L C -0.266 176.662 176.870 0.096 0.000 1.074 513 L CA 1.593 56.473 54.840 0.066 0.000 0.749 513 L CB 0.139 42.237 42.059 0.065 0.000 0.907 513 L HN 0.583 nan 8.230 nan 0.000 0.439 514 L N -0.566 120.730 121.223 0.121 0.000 2.513 514 L HA 0.773 5.113 4.340 0.000 0.000 0.261 514 L C -0.627 176.288 176.870 0.074 0.000 0.945 514 L CA 0.471 55.361 54.840 0.083 0.000 0.848 514 L CB 1.605 43.748 42.059 0.140 0.000 1.334 514 L HN 0.256 nan 8.230 nan 0.000 0.407 515 G N 2.694 111.485 108.800 -0.016 0.000 2.506 515 G HA2 0.562 4.523 3.960 0.000 0.000 0.292 515 G HA3 0.562 4.523 3.960 0.000 0.000 0.292 515 G C -2.728 172.136 174.900 -0.061 0.000 1.425 515 G CA -0.609 44.497 45.100 0.010 0.000 0.788 515 G HN 0.782 nan 8.290 nan 0.000 0.490 516 L N 0.472 121.686 121.223 -0.015 0.000 2.409 516 L HA 0.852 5.192 4.340 0.000 0.000 0.272 516 L C -0.231 176.689 176.870 0.084 0.000 0.980 516 L CA -0.274 54.552 54.840 -0.024 0.000 0.826 516 L CB 1.911 43.902 42.059 -0.114 0.000 1.268 516 L HN 0.610 nan 8.230 nan 0.000 0.407 517 S N 2.662 118.433 115.700 0.118 0.000 2.715 517 S HA 0.827 5.297 4.470 0.000 0.000 0.307 517 S C -1.536 173.218 174.600 0.257 0.000 1.119 517 S CA -0.353 57.919 58.200 0.120 0.000 0.937 517 S CB 1.695 64.902 63.200 0.011 0.000 1.150 517 S HN 0.569 nan 8.310 nan 0.000 0.521 518 Y N -0.423 119.906 120.300 0.048 0.000 2.553 518 Y HA 0.811 5.361 4.550 0.000 0.000 0.347 518 Y C -1.016 174.936 175.900 0.087 0.000 1.019 518 Y CA -1.222 56.883 58.100 0.008 0.000 1.032 518 Y CB 0.879 39.017 38.460 -0.537 0.000 1.284 518 Y HN 0.674 nan 8.280 nan 0.000 0.466 519 D N 0.030 120.593 120.400 0.273 0.000 2.687 519 D HA 0.239 4.879 4.640 0.000 0.000 0.264 519 D C 0.386 176.800 176.300 0.191 0.000 1.091 519 D CA -0.972 53.097 54.000 0.115 0.000 1.123 519 D CB 1.194 42.041 40.800 0.080 0.000 1.407 519 D HN 0.701 nan 8.370 nan 0.000 0.591 520 K N -0.576 119.871 120.400 0.079 0.000 2.280 520 K HA -0.076 4.244 4.320 0.000 0.000 0.202 520 K C 0.857 177.469 176.600 0.020 0.000 1.047 520 K CA 0.806 57.128 56.287 0.057 0.000 0.942 520 K CB -0.147 32.379 32.500 0.043 0.000 0.739 520 K HN 0.233 nan 8.250 nan 0.000 0.457 521 R N 0.285 120.793 120.500 0.013 0.000 2.515 521 R HA 0.119 4.459 4.340 0.000 0.000 0.294 521 R C -0.666 175.579 176.300 -0.092 0.000 1.021 521 R CA -0.158 55.944 56.100 0.003 0.000 1.081 521 R CB -0.251 30.048 30.300 -0.001 0.000 1.263 521 R HN 0.350 nan 8.270 nan 0.000 0.557 522 H N -0.907 117.850 119.070 -0.522 0.000 2.899 522 H HA -0.196 4.360 4.556 0.000 0.000 0.282 522 H C -0.451 174.263 175.328 -1.025 0.000 1.198 522 H CA 0.816 56.018 56.048 -1.409 0.000 1.140 522 H CB -1.416 27.620 29.762 -1.211 0.000 1.317 522 H HN 0.374 nan 8.280 nan 0.000 0.375 523 Q N -0.806 118.889 119.800 -0.176 0.000 2.248 523 Q HA 0.342 4.682 4.340 0.000 0.000 0.263 523 Q C -0.059 176.118 176.000 0.296 0.000 1.007 523 Q CA -0.829 54.988 55.803 0.023 0.000 0.877 523 Q CB 1.452 30.228 28.738 0.063 0.000 1.315 523 Q HN 0.324 nan 8.270 nan 0.000 0.454 524 W N 0.914 122.412 121.300 0.330 0.000 2.313 524 W HA 0.262 4.922 4.660 0.000 0.000 0.328 524 W C 0.154 176.743 176.519 0.117 0.000 1.197 524 W CA -0.389 57.075 57.345 0.198 0.000 1.235 524 W CB 0.905 30.420 29.460 0.091 0.000 1.158 524 W HN 0.319 nan 8.180 nan 0.000 0.578 525 Q N 3.401 123.414 119.800 0.354 0.000 2.674 525 Q HA 0.217 4.557 4.340 0.000 0.000 0.249 525 Q C -2.352 173.698 176.000 0.083 0.000 1.011 525 Q CA -1.978 53.932 55.803 0.178 0.000 0.734 525 Q CB 1.416 30.226 28.738 0.120 0.000 1.201 525 Q HN -0.035 nan 8.270 nan 0.000 0.498 526 P HA 0.161 nan 4.420 nan 0.000 0.276 526 P C -0.523 176.574 177.300 -0.339 0.000 1.235 526 P CA 0.119 63.096 63.100 -0.205 0.000 0.772 526 P CB 0.892 32.451 31.700 -0.235 0.000 0.871 527 I N 4.194 124.530 120.570 -0.390 0.000 2.355 527 I HA 0.267 4.437 4.170 0.000 0.000 0.288 527 I C -0.297 175.592 176.117 -0.379 0.000 0.999 527 I CA -0.793 60.354 61.300 -0.254 0.000 1.163 527 I CB 0.808 38.778 38.000 -0.050 0.000 1.316 527 I HN 0.277 nan 8.210 nan 0.000 0.454 528 Y N 5.370 125.689 120.300 0.032 0.000 2.593 528 Y HA 0.508 5.058 4.550 0.001 0.000 0.331 528 Y C 1.224 177.136 175.900 0.021 0.000 0.986 528 Y CA -0.139 57.972 58.100 0.018 0.000 1.262 528 Y CB 1.008 39.468 38.460 -0.000 0.000 1.098 528 Y HN 0.900 nan 8.280 nan 0.000 0.506 529 G N 1.890 110.764 108.800 0.124 0.000 2.629 529 G HA2 -0.407 3.553 3.960 0.000 0.000 0.313 529 G HA3 -0.407 3.553 3.960 0.000 0.000 0.313 529 G C 1.104 176.043 174.900 0.064 0.000 1.217 529 G CA 0.772 45.922 45.100 0.083 0.000 0.994 529 G HN 0.947 nan 8.290 nan 0.000 0.549 530 S N -0.420 115.313 115.700 0.055 0.000 2.554 530 S HA 0.447 4.918 4.470 0.000 0.000 0.226 530 S C 0.820 175.450 174.600 0.049 0.000 0.980 530 S CA 1.076 59.301 58.200 0.041 0.000 0.939 530 S CB 0.171 63.385 63.200 0.024 0.000 0.832 530 S HN 0.996 nan 8.310 nan 0.000 0.486 531 T N 4.979 119.576 114.554 0.073 0.000 2.932 531 T HA 0.269 4.620 4.350 0.000 0.000 0.312 531 T C -2.384 172.362 174.700 0.076 0.000 1.071 531 T CA -0.394 61.752 62.100 0.077 0.000 1.128 531 T CB 0.049 68.984 68.868 0.111 0.000 0.984 531 T HN 0.246 nan 8.240 nan 0.000 0.549 532 P HA 0.230 nan 4.420 nan 0.000 0.269 532 P C -0.927 176.423 177.300 0.082 0.000 1.215 532 P CA -0.426 62.709 63.100 0.057 0.000 0.780 532 P CB 0.406 32.130 31.700 0.041 0.000 0.898 533 V N 2.768 122.727 119.914 0.074 0.000 2.407 533 V HA 0.247 4.367 4.120 0.000 0.000 0.278 533 V C 0.217 176.363 176.094 0.086 0.000 1.037 533 V CA -0.034 62.319 62.300 0.090 0.000 0.900 533 V CB 1.206 33.069 31.823 0.067 0.000 0.983 533 V HN 0.531 nan 8.190 nan 0.000 0.459 534 T N 7.437 122.056 114.554 0.109 0.000 2.770 534 T HA 0.395 4.745 4.350 0.000 0.000 0.297 534 T C -2.514 172.253 174.700 0.113 0.000 0.997 534 T CA -1.170 60.987 62.100 0.095 0.000 0.949 534 T CB 1.323 70.243 68.868 0.088 0.000 0.941 534 T HN 0.422 nan 8.240 nan 0.000 0.457 535 P HA 0.382 nan 4.420 nan 0.000 0.268 535 P C -0.164 177.212 177.300 0.128 0.000 1.205 535 P CA -0.036 63.138 63.100 0.124 0.000 0.771 535 P CB 0.673 32.430 31.700 0.096 0.000 0.858 536 T N 0.568 115.226 114.554 0.175 0.000 2.802 536 T HA 0.584 4.935 4.350 0.000 0.000 0.311 536 T C -0.187 174.652 174.700 0.233 0.000 1.405 536 T CA 0.488 62.688 62.100 0.166 0.000 1.016 536 T CB 0.647 69.606 68.868 0.152 0.000 1.352 536 T HN 0.729 nan 8.240 nan 0.000 0.498 537 G N 1.684 110.597 108.800 0.189 0.000 2.645 537 G HA2 0.096 4.056 3.960 0.000 0.000 0.246 537 G HA3 0.096 4.056 3.960 0.000 0.000 0.246 537 G C -0.163 174.797 174.900 0.099 0.000 1.322 537 G CA 0.244 45.477 45.100 0.222 0.000 0.898 537 G HN 1.599 nan 8.290 nan 0.000 0.573 538 S N -0.337 115.399 115.700 0.059 0.000 2.543 538 S HA 0.694 5.164 4.470 0.000 0.000 0.271 538 S C -0.998 173.513 174.600 -0.148 0.000 1.148 538 S CA 0.307 58.436 58.200 -0.118 0.000 0.914 538 S CB 0.778 63.952 63.200 -0.044 0.000 1.096 538 S HN 1.610 nan 8.310 nan 0.000 0.471 539 W N 2.787 123.850 121.300 -0.395 0.000 2.950 539 W HA 0.749 5.410 4.660 0.000 0.000 0.340 539 W C -1.028 175.515 176.519 0.040 0.000 1.139 539 W CA -0.806 56.322 57.345 -0.362 0.000 1.188 539 W CB 0.662 29.450 29.460 -1.121 0.000 1.426 539 W HN 0.440 nan 8.180 nan 0.000 0.531 540 E N 2.558 123.116 120.200 0.597 0.000 2.227 540 E HA 0.344 4.694 4.350 0.000 0.000 0.268 540 E C -0.501 176.446 176.600 0.579 0.000 0.907 540 E CA -1.378 55.284 56.400 0.436 0.000 0.786 540 E CB 3.111 32.974 29.700 0.272 0.000 1.191 540 E HN 0.544 nan 8.360 nan 0.000 0.411 541 M N 0.595 120.474 119.600 0.465 0.000 2.245 541 M HA 0.223 4.703 4.480 0.000 0.000 0.330 541 M C 1.076 177.510 176.300 0.224 0.000 1.098 541 M CA 1.637 57.158 55.300 0.368 0.000 1.172 541 M CB 0.250 33.044 32.600 0.323 0.000 1.467 541 M HN 0.808 nan 8.290 nan 0.000 0.454 542 G N 2.645 111.543 108.800 0.162 0.000 2.284 542 G HA2 -0.332 3.628 3.960 0.000 0.000 0.261 542 G HA3 -0.332 3.628 3.960 0.000 0.000 0.261 542 G C 0.150 175.093 174.900 0.072 0.000 0.997 542 G CA 0.851 46.030 45.100 0.132 0.000 0.621 542 G HN 0.733 nan 8.290 nan 0.000 0.534 543 K N 0.777 121.211 120.400 0.056 0.000 2.174 543 K HA 0.514 4.835 4.320 0.000 0.000 0.275 543 K C 0.530 177.005 176.600 -0.208 0.000 1.015 543 K CA -0.851 55.370 56.287 -0.109 0.000 0.933 543 K CB 0.480 32.840 32.500 -0.234 0.000 1.025 543 K HN 0.250 nan 8.250 nan 0.000 0.463 544 R N 3.900 124.279 120.500 -0.202 0.000 2.254 544 R HA 0.162 4.502 4.340 0.000 0.000 0.318 544 R C -1.347 174.850 176.300 -0.172 0.000 1.031 544 R CA -0.265 55.777 56.100 -0.097 0.000 0.905 544 R CB 0.409 30.709 30.300 -0.001 0.000 1.050 544 R HN 0.574 nan 8.270 nan 0.000 0.456 545 Y N 1.795 122.215 120.300 0.201 0.000 2.446 545 Y HA 0.226 4.777 4.550 0.000 0.000 0.338 545 Y C -0.158 175.892 175.900 0.250 0.000 1.055 545 Y CA -0.843 57.411 58.100 0.257 0.000 1.101 545 Y CB 1.601 40.235 38.460 0.290 0.000 1.221 545 Y HN 0.621 nan 8.280 nan 0.000 0.460 546 H N 1.703 120.990 119.070 0.361 0.000 2.552 546 H HA 0.590 5.147 4.556 0.000 0.000 0.311 546 H C -1.325 174.081 175.328 0.131 0.000 1.071 546 H CA -0.452 55.752 56.048 0.259 0.000 1.307 546 H CB 0.618 30.625 29.762 0.409 0.000 1.416 546 H HN 0.414 nan 8.280 nan 0.000 0.464 547 V N 6.439 126.247 119.914 -0.177 0.000 2.459 547 V HA 0.393 4.514 4.120 0.000 0.000 0.295 547 V C -0.568 175.368 176.094 -0.263 0.000 1.029 547 V CA -0.762 61.414 62.300 -0.206 0.000 0.874 547 V CB 1.657 33.364 31.823 -0.193 0.000 0.985 547 V HN 0.568 nan 8.190 nan 0.000 0.438 548 V N 6.028 125.867 119.914 -0.125 0.000 2.638 548 V HA 0.527 4.647 4.120 0.000 0.000 0.306 548 V C -0.579 175.534 176.094 0.032 0.000 1.052 548 V CA -0.510 61.739 62.300 -0.085 0.000 0.885 548 V CB 1.971 33.724 31.823 -0.118 0.000 0.999 548 V HN 0.672 nan 8.190 nan 0.000 0.424 549 L N 4.590 125.819 121.223 0.010 0.000 2.313 549 L HA 0.809 5.149 4.340 0.000 0.000 0.283 549 L C 0.164 177.008 176.870 -0.043 0.000 1.013 549 L CA -0.355 54.504 54.840 0.031 0.000 0.816 549 L CB 2.056 44.159 42.059 0.074 0.000 1.236 549 L HN 0.793 nan 8.230 nan 0.000 0.419 550 T N 0.654 115.152 114.554 -0.093 0.000 2.887 550 T HA 0.728 5.078 4.350 0.000 0.000 0.288 550 T C -0.583 173.881 174.700 -0.394 0.000 1.021 550 T CA -0.752 61.184 62.100 -0.274 0.000 1.000 550 T CB 2.402 71.205 68.868 -0.107 0.000 1.034 550 T HN 0.469 nan 8.240 nan 0.000 0.467 551 M N 2.365 121.589 119.600 -0.628 0.000 2.271 551 M HA 0.698 5.179 4.480 0.000 0.000 0.285 551 M C -1.831 174.309 176.300 -0.267 0.000 1.059 551 M CA -0.407 54.629 55.300 -0.441 0.000 0.940 551 M CB 1.402 33.659 32.600 -0.572 0.000 1.636 551 M HN 1.222 nan 8.290 nan 0.000 0.460 552 A N 4.082 126.824 122.820 -0.130 0.000 2.604 552 A HA 0.591 4.911 4.320 0.000 0.000 0.295 552 A C -0.058 177.506 177.584 -0.032 0.000 1.067 552 A CA -0.386 51.615 52.037 -0.061 0.000 0.683 552 A CB 1.031 19.998 19.000 -0.055 0.000 1.281 552 A HN 0.938 nan 8.150 nan 0.000 0.407 553 N N 0.602 119.300 118.700 -0.004 0.000 2.714 553 N HA -0.211 4.529 4.740 0.000 0.000 0.252 553 N C 0.184 175.690 175.510 -0.006 0.000 1.014 553 N CA 1.710 54.762 53.050 0.002 0.000 0.735 553 N CB -1.394 37.091 38.487 -0.004 0.000 0.924 553 N HN 0.878 nan 8.380 nan 0.000 0.540 554 K N -2.529 117.866 120.400 -0.008 0.000 3.274 554 K HA -0.218 4.102 4.320 0.000 0.000 0.300 554 K C -0.327 176.265 176.600 -0.014 0.000 1.230 554 K CA 1.393 57.674 56.287 -0.010 0.000 0.884 554 K CB -1.638 30.859 32.500 -0.005 0.000 1.242 554 K HN 0.541 nan 8.250 nan 0.000 0.467 555 I N 0.322 120.877 120.570 -0.026 0.000 2.465 555 I HA 0.377 4.548 4.170 0.000 0.000 0.291 555 I C 0.587 176.686 176.117 -0.031 0.000 1.014 555 I CA -0.689 60.595 61.300 -0.027 0.000 1.093 555 I CB 2.072 40.049 38.000 -0.039 0.000 1.267 555 I HN 0.115 nan 8.210 nan 0.000 0.431 556 G N 3.345 112.156 108.800 0.019 0.000 2.416 556 G HA2 0.716 4.676 3.960 0.000 0.000 0.329 556 G HA3 0.716 4.676 3.960 0.000 0.000 0.329 556 G C -1.116 173.853 174.900 0.115 0.000 1.173 556 G CA -0.320 44.808 45.100 0.047 0.000 0.929 556 G HN 0.503 nan 8.290 nan 0.000 0.475 557 S N -0.699 115.041 115.700 0.067 0.000 2.570 557 S HA 0.681 5.151 4.470 0.000 0.000 0.286 557 S C -0.770 173.842 174.600 0.020 0.000 1.099 557 S CA -0.568 57.654 58.200 0.037 0.000 0.913 557 S CB 2.192 65.339 63.200 -0.088 0.000 1.085 557 S HN 0.530 nan 8.310 nan 0.000 0.480 558 V N 2.852 122.724 119.914 -0.069 0.000 2.487 558 V HA 0.498 4.619 4.120 0.000 0.000 0.298 558 V C -1.644 174.328 176.094 -0.202 0.000 1.028 558 V CA -0.565 61.677 62.300 -0.096 0.000 0.860 558 V CB 0.955 32.687 31.823 -0.151 0.000 0.991 558 V HN 0.847 nan 8.190 nan 0.000 0.427 559 Y N 4.527 124.744 120.300 -0.138 0.000 2.468 559 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 559 Y C -0.027 175.752 175.900 -0.201 0.000 1.021 559 Y CA -1.184 56.834 58.100 -0.138 0.000 1.079 559 Y CB 1.834 40.236 38.460 -0.097 0.000 1.226 559 Y HN 0.319 nan 8.280 nan 0.000 0.460 560 I N 2.640 123.178 120.570 -0.053 0.000 2.466 560 I HA 0.191 4.361 4.170 0.000 0.000 0.289 560 I C -0.361 175.741 176.117 -0.026 0.000 1.026 560 I CA -0.876 60.362 61.300 -0.103 0.000 1.078 560 I CB 1.628 39.472 38.000 -0.260 0.000 1.249 560 I HN 0.738 nan 8.210 nan 0.000 0.429 561 D N 4.997 125.411 120.400 0.023 0.000 2.882 561 D HA -0.202 4.438 4.640 0.000 0.000 0.229 561 D C 1.246 176.940 176.300 -1.010 0.000 1.167 561 D CA 1.768 55.515 54.000 -0.421 0.000 0.759 561 D CB -0.809 39.922 40.800 -0.114 0.000 1.088 561 D HN 1.159 nan 8.370 nan 0.000 0.425 562 G N -1.248 107.313 108.800 -0.398 0.000 2.175 562 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 562 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 562 G C -0.141 174.740 174.900 -0.031 0.000 0.982 562 G CA 0.338 45.279 45.100 -0.266 0.000 0.641 562 G HN 0.358 nan 8.290 nan 0.000 0.527 563 E N 0.666 120.875 120.200 0.015 0.000 2.222 563 E HA 0.491 4.841 4.350 0.000 0.000 0.267 563 E C -2.772 173.842 176.600 0.023 0.000 0.884 563 E CA -2.297 54.143 56.400 0.067 0.000 0.764 563 E CB 1.954 31.646 29.700 -0.012 0.000 1.169 563 E HN 0.079 nan 8.360 nan 0.000 0.413 564 P HA 0.042 nan 4.420 nan 0.000 0.265 564 P C 0.065 177.231 177.300 -0.223 0.000 1.193 564 P CA 0.066 62.884 63.100 -0.470 0.000 0.765 564 P CB 0.485 31.918 31.700 -0.445 0.000 0.823 565 L N 2.076 123.178 121.223 -0.203 0.000 2.461 565 L HA 0.070 4.410 4.340 0.000 0.000 0.272 565 L C 1.323 178.163 176.870 -0.050 0.000 1.197 565 L CA -0.065 54.730 54.840 -0.075 0.000 0.836 565 L CB 0.074 42.108 42.059 -0.041 0.000 1.105 565 L HN 0.445 nan 8.230 nan 0.000 0.477 566 E N 1.868 122.066 120.200 -0.004 0.000 2.493 566 E HA 0.065 4.415 4.350 0.000 0.000 0.255 566 E C 0.829 177.424 176.600 -0.008 0.000 0.999 566 E CA 0.855 57.250 56.400 -0.009 0.000 0.934 566 E CB 0.252 29.963 29.700 0.019 0.000 0.940 566 E HN 0.815 nan 8.360 nan 0.000 0.473 567 G N 3.130 111.893 108.800 -0.061 0.000 2.176 567 G HA2 -0.274 3.686 3.960 0.000 0.000 0.232 567 G HA3 -0.274 3.686 3.960 0.000 0.000 0.232 567 G C 0.269 175.016 174.900 -0.254 0.000 0.986 567 G CA 0.276 45.307 45.100 -0.115 0.000 0.643 567 G HN 0.659 nan 8.290 nan 0.000 0.522 568 S N -0.378 115.210 115.700 -0.185 0.000 2.624 568 S HA 0.564 5.034 4.470 0.000 0.000 0.263 568 S C 1.502 175.934 174.600 -0.280 0.000 1.287 568 S CA 1.456 59.520 58.200 -0.227 0.000 0.990 568 S CB 0.948 64.057 63.200 -0.151 0.000 0.950 568 S HN 2.247 nan 8.310 nan 0.000 0.561 569 G N 1.539 110.197 108.800 -0.237 0.000 2.203 569 G HA2 -0.148 3.812 3.960 0.000 0.000 0.231 569 G HA3 -0.148 3.812 3.960 0.000 0.000 0.231 569 G C -0.343 174.432 174.900 -0.209 0.000 1.058 569 G CA 0.128 45.123 45.100 -0.176 0.000 0.781 569 G HN 0.775 nan 8.290 nan 0.000 0.496 570 Q N -0.012 119.606 119.800 -0.302 0.000 2.226 570 Q HA 0.581 4.921 4.340 0.000 0.000 0.256 570 Q C 0.113 176.048 176.000 -0.109 0.000 0.962 570 Q CA -0.639 55.005 55.803 -0.266 0.000 0.887 570 Q CB 1.353 29.794 28.738 -0.495 0.000 1.282 570 Q HN 0.177 nan 8.270 nan 0.000 0.449 571 T N 1.263 115.775 114.554 -0.070 0.000 2.867 571 T HA 0.080 4.430 4.350 0.000 0.000 0.297 571 T C 1.020 175.730 174.700 0.016 0.000 0.989 571 T CA -0.020 62.066 62.100 -0.023 0.000 1.159 571 T CB 0.333 69.188 68.868 -0.022 0.000 0.928 571 T HN 0.568 nan 8.240 nan 0.000 0.538 572 V N 1.472 121.406 119.914 0.034 0.000 3.604 572 V HA 0.409 4.529 4.120 0.000 0.000 0.277 572 V C 0.201 176.315 176.094 0.035 0.000 1.399 572 V CA -0.130 62.207 62.300 0.061 0.000 1.034 572 V CB 0.323 32.201 31.823 0.091 0.000 0.824 572 V HN 0.502 nan 8.190 nan 0.000 0.439 573 V N 2.776 122.699 119.914 0.015 0.000 2.380 573 V HA 0.516 4.636 4.120 0.000 0.000 0.286 573 V C -2.376 173.718 176.094 -0.000 0.000 1.015 573 V CA -1.736 60.565 62.300 0.002 0.000 0.834 573 V CB 1.340 33.157 31.823 -0.010 0.000 1.009 573 V HN 0.232 nan 8.190 nan 0.000 0.428 574 P HA -0.012 nan 4.420 nan 0.000 0.271 574 P C 0.132 177.432 177.300 -0.001 0.000 1.212 574 P CA 0.293 63.393 63.100 -0.000 0.000 0.788 574 P CB 0.614 32.313 31.700 -0.000 0.000 0.865 575 D N 0.030 120.431 120.400 0.001 0.000 2.349 575 D HA -0.011 4.630 4.640 0.000 0.000 0.214 575 D C 1.592 177.896 176.300 0.007 0.000 1.063 575 D CA 0.477 54.480 54.000 0.004 0.000 0.847 575 D CB -0.120 40.682 40.800 0.004 0.000 0.933 575 D HN 0.537 nan 8.370 nan 0.000 0.513 576 E N 0.933 121.135 120.200 0.005 0.000 2.371 576 E HA 0.157 4.507 4.350 0.000 0.000 0.194 576 E C 1.368 177.972 176.600 0.007 0.000 1.012 576 E CA 0.928 57.333 56.400 0.007 0.000 0.860 576 E CB -0.362 29.341 29.700 0.004 0.000 0.811 576 E HN 0.447 nan 8.360 nan 0.000 0.502 577 R N -1.075 119.426 120.500 0.002 0.000 2.855 577 R HA 0.733 5.073 4.340 0.000 0.000 0.266 577 R C -0.339 175.951 176.300 -0.016 0.000 1.034 577 R CA 0.067 56.166 56.100 -0.003 0.000 0.944 577 R CB 0.580 30.875 30.300 -0.008 0.000 1.219 577 R HN 0.143 nan 8.270 nan 0.000 0.474 578 T N 3.010 117.549 114.554 -0.025 0.000 2.794 578 T HA 0.583 4.933 4.350 0.000 0.000 0.280 578 T C -2.265 172.378 174.700 -0.096 0.000 0.987 578 T CA -1.042 61.011 62.100 -0.078 0.000 0.993 578 T CB 1.536 70.371 68.868 -0.054 0.000 0.939 578 T HN 0.603 nan 8.240 nan 0.000 0.449 579 P HA 0.294 nan 4.420 nan 0.000 0.269 579 P C -0.644 176.578 177.300 -0.130 0.000 1.215 579 P CA -0.252 62.776 63.100 -0.119 0.000 0.780 579 P CB 0.448 32.072 31.700 -0.126 0.000 0.898 580 D N 1.370 121.712 120.400 -0.097 0.000 2.443 580 D HA 0.241 4.882 4.640 0.000 0.000 0.281 580 D C -0.408 175.825 176.300 -0.112 0.000 1.210 580 D CA -0.360 53.592 54.000 -0.079 0.000 0.875 580 D CB -0.520 40.256 40.800 -0.040 0.000 1.125 580 D HN 0.162 nan 8.370 nan 0.000 0.503 581 I N 1.547 122.011 120.570 -0.177 0.000 2.668 581 I HA -0.061 4.110 4.170 0.000 0.000 0.285 581 I C 1.811 177.792 176.117 -0.227 0.000 1.168 581 I CA 0.199 61.349 61.300 -0.252 0.000 1.424 581 I CB 1.211 38.963 38.000 -0.414 0.000 1.377 581 I HN 0.242 nan 8.210 nan 0.000 0.560 582 S N 6.262 121.851 115.700 -0.185 0.000 2.348 582 S HA -0.053 4.417 4.470 0.000 0.000 0.219 582 S C 0.406 175.011 174.600 0.007 0.000 1.033 582 S CA 0.853 59.032 58.200 -0.036 0.000 0.974 582 S CB 0.042 63.315 63.200 0.123 0.000 0.868 582 S HN 0.815 nan 8.310 nan 0.000 0.459 583 H N -2.594 116.357 119.070 -0.198 0.000 2.950 583 H HA 0.346 4.902 4.556 0.001 0.000 0.307 583 H C -1.750 173.418 175.328 -0.266 0.000 1.403 583 H CA -1.047 54.886 56.048 -0.192 0.000 1.145 583 H CB -0.272 29.509 29.762 0.032 0.000 1.844 583 H HN 0.231 nan 8.280 nan 0.000 0.515 584 F N 1.404 121.415 119.950 0.103 0.000 2.404 584 F HA 0.352 4.880 4.527 0.000 0.000 0.339 584 F C -0.024 175.931 175.800 0.258 0.000 1.105 584 F CA -0.893 57.118 58.000 0.018 0.000 1.087 584 F CB 1.057 40.075 39.000 0.030 0.000 1.143 584 F HN 0.433 nan 8.300 nan 0.000 0.491 585 Y N 0.066 120.574 120.300 0.346 0.000 2.409 585 Y HA 0.818 5.368 4.550 0.000 0.000 0.339 585 Y C -1.317 174.682 175.900 0.165 0.000 1.033 585 Y CA -1.670 56.607 58.100 0.295 0.000 1.094 585 Y CB 1.024 39.656 38.460 0.286 0.000 1.210 585 Y HN 0.271 nan 8.280 nan 0.000 0.456 586 V N 2.725 122.749 119.914 0.184 0.000 2.524 586 V HA 0.613 4.734 4.120 0.000 0.000 0.297 586 V C 0.468 176.490 176.094 -0.121 0.000 1.035 586 V CA -0.525 61.805 62.300 0.051 0.000 0.867 586 V CB 0.990 32.879 31.823 0.110 0.000 1.004 586 V HN 1.348 nan 8.190 nan 0.000 0.426 587 G N 2.997 111.734 108.800 -0.105 0.000 2.160 587 G HA2 0.267 4.227 3.960 0.000 0.000 0.244 587 G HA3 0.267 4.227 3.960 0.000 0.000 0.244 587 G C 0.664 175.358 174.900 -0.345 0.000 1.022 587 G CA 0.311 45.257 45.100 -0.256 0.000 0.741 587 G HN 2.290 nan 8.290 nan 0.000 0.508 588 G N -2.340 106.346 108.800 -0.190 0.000 2.346 588 G HA2 0.329 4.290 3.960 0.000 0.000 0.294 588 G HA3 0.329 4.290 3.960 0.000 0.000 0.294 588 G C -0.039 174.770 174.900 -0.152 0.000 1.294 588 G CA 0.109 45.085 45.100 -0.207 0.000 0.962 588 G HN 0.556 nan 8.290 nan 0.000 0.508 589 Y N 0.212 120.492 120.300 -0.032 0.000 2.458 589 Y HA 0.327 4.877 4.550 0.000 0.000 0.254 589 Y C 1.875 177.781 175.900 0.010 0.000 1.120 589 Y CA 0.340 58.413 58.100 -0.045 0.000 1.282 589 Y CB 0.542 38.928 38.460 -0.124 0.000 1.109 589 Y HN 0.385 nan 8.280 nan 0.000 0.526 590 K N 1.332 121.809 120.400 0.128 0.000 3.071 590 K HA -0.184 4.136 4.320 0.000 0.000 0.265 590 K C -1.343 175.298 176.600 0.069 0.000 1.060 590 K CA 0.463 56.799 56.287 0.081 0.000 0.767 590 K CB -0.828 31.717 32.500 0.076 0.000 1.241 590 K HN 0.222 nan 8.250 nan 0.000 0.486 591 R N -0.158 120.394 120.500 0.086 0.000 2.502 591 R HA 0.187 4.528 4.340 0.000 0.000 0.300 591 R C 1.366 177.686 176.300 0.034 0.000 0.984 591 R CA 0.197 56.316 56.100 0.033 0.000 0.882 591 R CB 1.475 31.764 30.300 -0.018 0.000 1.180 591 R HN 0.177 nan 8.270 nan 0.000 0.444 592 S N 1.027 116.738 115.700 0.019 0.000 2.399 592 S HA -0.115 4.355 4.470 0.000 0.000 0.231 592 S C 1.749 176.352 174.600 0.005 0.000 1.022 592 S CA 1.307 59.518 58.200 0.018 0.000 0.983 592 S CB -0.091 63.116 63.200 0.011 0.000 0.803 592 S HN 0.723 nan 8.310 nan 0.000 0.480 593 G N 1.406 110.198 108.800 -0.014 0.000 2.471 593 G HA2 0.099 4.059 3.960 0.000 0.000 0.219 593 G HA3 0.099 4.059 3.960 0.000 0.000 0.219 593 G C 0.598 175.473 174.900 -0.042 0.000 1.125 593 G CA 0.250 45.332 45.100 -0.031 0.000 0.775 593 G HN 0.396 nan 8.290 nan 0.000 0.548 594 M N 1.184 120.761 119.600 -0.039 0.000 2.120 594 M HA 0.219 4.700 4.480 0.000 0.000 0.354 594 M C -1.609 174.713 176.300 0.037 0.000 1.287 594 M CA -2.772 52.506 55.300 -0.036 0.000 1.103 594 M CB 1.337 33.890 32.600 -0.079 0.000 1.623 594 M HN -0.110 nan 8.290 nan 0.000 0.471 595 P HA -0.035 nan 4.420 nan 0.000 0.230 595 P C 0.348 177.677 177.300 0.049 0.000 1.158 595 P CA 0.635 63.754 63.100 0.032 0.000 0.769 595 P CB -0.403 31.307 31.700 0.016 0.000 0.807 596 T N -1.942 112.662 114.554 0.083 0.000 2.860 596 T HA 0.224 4.574 4.350 0.000 0.000 0.299 596 T C -0.062 174.666 174.700 0.047 0.000 1.045 596 T CA -0.478 61.655 62.100 0.056 0.000 1.071 596 T CB 0.879 69.782 68.868 0.059 0.000 0.985 596 T HN -0.141 nan 8.240 nan 0.000 0.537 597 D N 0.918 121.335 120.400 0.029 0.000 2.378 597 D HA 0.223 4.863 4.640 0.000 0.000 0.265 597 D C -0.785 175.556 176.300 0.070 0.000 1.229 597 D CA -0.481 53.551 54.000 0.052 0.000 0.914 597 D CB 0.629 41.464 40.800 0.058 0.000 1.140 597 D HN 0.469 nan 8.370 nan 0.000 0.516 598 S N 3.172 118.913 115.700 0.068 0.000 2.405 598 S HA 0.285 4.756 4.470 0.000 0.000 0.291 598 S C 0.342 175.047 174.600 0.175 0.000 1.137 598 S CA -0.512 57.770 58.200 0.137 0.000 1.061 598 S CB 0.531 63.777 63.200 0.076 0.000 1.001 598 S HN 0.209 nan 8.310 nan 0.000 0.507 599 R N 3.136 123.755 120.500 0.199 0.000 2.280 599 R HA 0.438 4.778 4.340 0.000 0.000 0.326 599 R C -0.451 175.954 176.300 0.175 0.000 1.080 599 R CA -0.302 55.919 56.100 0.202 0.000 1.002 599 R CB 0.342 30.757 30.300 0.192 0.000 1.136 599 R HN 0.492 nan 8.270 nan 0.000 0.509 600 V N -1.495 118.546 119.914 0.212 0.000 3.178 600 V HA 0.541 4.662 4.120 0.000 0.000 0.302 600 V C -0.396 175.825 176.094 0.211 0.000 1.262 600 V CA -0.871 61.458 62.300 0.048 0.000 1.030 600 V CB 2.381 34.190 31.823 -0.023 0.000 1.074 600 V HN 0.402 nan 8.190 nan 0.000 0.438 601 T N 2.270 116.892 114.554 0.113 0.000 2.771 601 T HA 0.712 5.062 4.350 0.000 0.000 0.281 601 T C -0.512 174.285 174.700 0.161 0.000 0.982 601 T CA -0.323 61.884 62.100 0.178 0.000 0.978 601 T CB 1.347 70.363 68.868 0.247 0.000 0.930 601 T HN 0.813 nan 8.240 nan 0.000 0.447 602 V N 5.394 125.441 119.914 0.221 0.000 2.448 602 V HA 0.507 4.628 4.120 0.000 0.000 0.295 602 V C -0.177 176.123 176.094 0.343 0.000 1.025 602 V CA -1.042 61.444 62.300 0.311 0.000 0.859 602 V CB 1.650 33.758 31.823 0.477 0.000 0.988 602 V HN 0.795 nan 8.190 nan 0.000 0.431 603 N N 3.217 122.098 118.700 0.300 0.000 2.319 603 N HA 0.392 5.133 4.740 0.000 0.000 0.305 603 N C -0.495 175.195 175.510 0.301 0.000 1.103 603 N CA -0.684 52.549 53.050 0.305 0.000 0.815 603 N CB 1.721 40.337 38.487 0.215 0.000 1.288 603 N HN 0.810 nan 8.380 nan 0.000 0.493 604 N N -0.513 118.372 118.700 0.308 0.000 2.608 604 N HA -0.164 4.577 4.740 0.000 0.000 0.273 604 N C -1.069 174.604 175.510 0.271 0.000 1.133 604 N CA 0.031 53.299 53.050 0.363 0.000 0.726 604 N CB -0.712 38.013 38.487 0.398 0.000 0.890 604 N HN 0.207 nan 8.380 nan 0.000 0.548 605 V N 1.941 121.908 119.914 0.088 0.000 2.461 605 V HA 0.357 4.477 4.120 0.000 0.000 0.275 605 V C 0.724 176.899 176.094 0.136 0.000 1.047 605 V CA -0.212 62.071 62.300 -0.028 0.000 0.955 605 V CB 1.082 32.670 31.823 -0.392 0.000 0.988 605 V HN 0.262 nan 8.190 nan 0.000 0.471 606 L N 5.634 126.925 121.223 0.112 0.000 2.346 606 L HA 0.661 5.001 4.340 0.000 0.000 0.274 606 L C -0.758 176.134 176.870 0.037 0.000 1.007 606 L CA -0.721 54.157 54.840 0.064 0.000 0.818 606 L CB 1.970 44.031 42.059 0.004 0.000 1.284 606 L HN 0.491 nan 8.230 nan 0.000 0.424 607 L N 3.051 124.210 121.223 -0.107 0.000 2.372 607 L HA 0.533 4.874 4.340 0.000 0.000 0.274 607 L C -1.405 175.267 176.870 -0.330 0.000 0.988 607 L CA 0.008 54.717 54.840 -0.218 0.000 0.833 607 L CB 1.066 42.811 42.059 -0.523 0.000 1.236 607 L HN 0.262 nan 8.230 nan 0.000 0.410 608 Y N 2.669 122.879 120.300 -0.150 0.000 2.457 608 Y HA 0.387 4.938 4.550 0.001 0.000 0.333 608 Y C 0.999 176.766 175.900 -0.222 0.000 1.119 608 Y CA -0.662 57.316 58.100 -0.203 0.000 1.143 608 Y CB 1.255 39.619 38.460 -0.160 0.000 1.230 608 Y HN 0.711 nan 8.280 nan 0.000 0.469 609 N N 1.299 119.799 118.700 -0.334 0.000 2.276 609 N HA 0.081 4.821 4.740 0.000 0.000 0.212 609 N C -0.515 174.867 175.510 -0.213 0.000 1.127 609 N CA -0.312 52.352 53.050 -0.643 0.000 0.834 609 N CB 0.097 37.794 38.487 -1.317 0.000 1.014 609 N HN 0.740 nan 8.380 nan 0.000 0.491 610 R N -1.923 118.536 120.500 -0.068 0.000 2.781 610 R HA 0.309 4.649 4.340 0.000 0.000 0.269 610 R C -1.198 175.066 176.300 -0.060 0.000 1.025 610 R CA -0.921 55.148 56.100 -0.050 0.000 0.914 610 R CB 0.729 30.986 30.300 -0.071 0.000 1.236 610 R HN 0.048 nan 8.270 nan 0.000 0.465 611 Q N 2.231 121.980 119.800 -0.086 0.000 2.307 611 Q HA 0.215 4.555 4.340 0.000 0.000 0.261 611 Q C -0.549 175.356 176.000 -0.157 0.000 1.051 611 Q CA -0.385 55.344 55.803 -0.123 0.000 0.911 611 Q CB 0.653 29.331 28.738 -0.101 0.000 1.227 611 Q HN 0.490 nan 8.270 nan 0.000 0.418 612 L N 3.494 124.578 121.223 -0.231 0.000 2.499 612 L HA 0.003 4.344 4.340 0.000 0.000 0.281 612 L C 0.769 177.507 176.870 -0.220 0.000 1.234 612 L CA -0.293 54.372 54.840 -0.291 0.000 0.839 612 L CB -0.056 41.749 42.059 -0.423 0.000 1.104 612 L HN 0.811 nan 8.230 nan 0.000 0.500 613 N N 1.148 119.733 118.700 -0.191 0.000 2.448 613 N HA 0.278 5.019 4.740 0.000 0.000 0.274 613 N C 0.511 175.923 175.510 -0.163 0.000 1.239 613 N CA -0.079 52.886 53.050 -0.142 0.000 0.982 613 N CB 0.661 39.087 38.487 -0.100 0.000 1.199 613 N HN 0.578 nan 8.380 nan 0.000 0.576 614 A N -0.360 122.393 122.820 -0.112 0.000 1.883 614 A HA -0.242 4.078 4.320 0.000 0.000 0.217 614 A C 1.975 179.497 177.584 -0.104 0.000 1.186 614 A CA 1.987 53.962 52.037 -0.103 0.000 0.624 614 A CB -1.177 17.801 19.000 -0.036 0.000 0.822 614 A HN 0.905 nan 8.150 nan 0.000 0.444 615 E N -0.327 119.824 120.200 -0.082 0.000 2.106 615 E HA -0.194 4.157 4.350 0.000 0.000 0.192 615 E C 1.889 178.437 176.600 -0.087 0.000 0.984 615 E CA 1.185 57.545 56.400 -0.066 0.000 0.806 615 E CB -0.120 29.549 29.700 -0.052 0.000 0.750 615 E HN 0.754 nan 8.360 nan 0.000 0.458 616 E N 0.253 120.379 120.200 -0.124 0.000 2.106 616 E HA -0.160 4.191 4.350 0.000 0.000 0.192 616 E C 2.150 178.654 176.600 -0.160 0.000 0.984 616 E CA 0.984 57.292 56.400 -0.153 0.000 0.806 616 E CB -0.019 29.555 29.700 -0.210 0.000 0.750 616 E HN 0.359 nan 8.360 nan 0.000 0.458 617 I N 0.753 121.206 120.570 -0.194 0.000 2.202 617 I HA -0.262 3.909 4.170 0.000 0.000 0.242 617 I C 2.620 178.699 176.117 -0.063 0.000 1.091 617 I CA 0.962 62.149 61.300 -0.188 0.000 1.368 617 I CB -0.063 37.692 38.000 -0.408 0.000 1.058 617 I HN -0.024 nan 8.210 nan 0.000 0.410 618 R N 0.724 121.191 120.500 -0.055 0.000 2.081 618 R HA -0.147 4.193 4.340 0.000 0.000 0.235 618 R C 2.156 178.487 176.300 0.052 0.000 1.131 618 R CA 2.186 58.309 56.100 0.038 0.000 0.960 618 R CB -0.827 29.488 30.300 0.025 0.000 0.856 618 R HN 0.219 nan 8.270 nan 0.000 0.436 619 T N 1.063 115.610 114.554 -0.013 0.000 2.720 619 T HA -0.115 4.235 4.350 0.000 0.000 0.268 619 T C 1.715 176.381 174.700 -0.057 0.000 1.037 619 T CA 1.611 63.690 62.100 -0.034 0.000 1.144 619 T CB -0.205 68.635 68.868 -0.047 0.000 0.864 619 T HN 0.151 nan 8.240 nan 0.000 0.444 620 L N -0.008 121.190 121.223 -0.043 0.000 2.046 620 L HA -0.028 4.312 4.340 0.000 0.000 0.208 620 L C 2.279 178.964 176.870 -0.308 0.000 1.077 620 L CA 1.346 56.160 54.840 -0.043 0.000 0.747 620 L CB -0.544 41.599 42.059 0.141 0.000 0.896 620 L HN 0.239 nan 8.230 nan 0.000 0.432 621 F N 0.644 120.241 119.950 -0.589 0.000 2.134 621 F HA -0.208 4.319 4.527 0.000 0.000 0.299 621 F C 2.077 177.652 175.800 -0.376 0.000 1.097 621 F CA 1.516 59.004 58.000 -0.852 0.000 1.264 621 F CB -0.270 38.494 39.000 -0.394 0.000 1.001 621 F HN -0.121 nan 8.300 nan 0.000 0.479 622 L N 0.254 121.224 121.223 -0.421 0.000 2.275 622 L HA -0.120 4.220 4.340 0.000 0.000 0.215 622 L C 1.905 178.589 176.870 -0.309 0.000 1.119 622 L CA 1.250 55.831 54.840 -0.432 0.000 0.790 622 L CB -0.741 41.217 42.059 -0.168 0.000 0.919 622 L HN 0.355 nan 8.230 nan 0.000 0.443 623 S N -2.443 113.118 115.700 -0.232 0.000 2.575 623 S HA 0.094 4.564 4.470 0.000 0.000 0.237 623 S C 1.318 175.859 174.600 -0.099 0.000 0.975 623 S CA -0.530 57.588 58.200 -0.137 0.000 0.960 623 S CB 0.453 63.602 63.200 -0.085 0.000 0.822 623 S HN 0.324 nan 8.310 nan 0.000 0.472 624 Q N 1.886 121.595 119.800 -0.151 0.000 2.082 624 Q HA -0.240 4.101 4.340 0.000 0.000 0.211 624 Q C 0.668 176.687 176.000 0.031 0.000 1.002 624 Q CA 2.416 58.201 55.803 -0.029 0.000 0.868 624 Q CB -0.404 28.312 28.738 -0.037 0.000 0.931 624 Q HN 0.670 nan 8.270 nan 0.000 0.414 625 D N -0.466 119.931 120.400 -0.005 0.000 2.363 625 D HA -0.022 4.618 4.640 0.000 0.000 0.226 625 D C 0.923 177.257 176.300 0.056 0.000 1.020 625 D CA 0.516 54.534 54.000 0.030 0.000 0.892 625 D CB 0.182 40.982 40.800 0.001 0.000 0.900 625 D HN 0.226 nan 8.370 nan 0.000 0.531 626 L N 0.040 121.294 121.223 0.052 0.000 2.731 626 L HA 0.245 4.586 4.340 0.000 0.000 0.240 626 L C 1.773 178.719 176.870 0.127 0.000 1.120 626 L CA 0.066 54.952 54.840 0.078 0.000 0.913 626 L CB -0.067 42.005 42.059 0.021 0.000 1.213 626 L HN 0.123 nan 8.230 nan 0.000 0.515 627 I N -2.057 118.601 120.570 0.148 0.000 3.419 627 I HA 0.281 4.452 4.170 0.000 0.000 0.286 627 I C 1.269 177.670 176.117 0.474 0.000 1.268 627 I CA -0.179 61.252 61.300 0.219 0.000 1.414 627 I CB -0.539 37.533 38.000 0.119 0.000 1.074 627 I HN 0.030 nan 8.210 nan 0.000 0.457 628 G N 1.733 110.758 108.800 0.375 0.000 2.414 628 G HA2 0.156 4.116 3.960 0.000 0.000 0.236 628 G HA3 0.156 4.116 3.960 0.000 0.000 0.236 628 G C 1.053 176.147 174.900 0.324 0.000 1.293 628 G CA 0.461 45.756 45.100 0.325 0.000 0.869 628 G HN 0.463 nan 8.290 nan 0.000 0.556 629 T N -1.126 113.486 114.554 0.097 0.000 3.067 629 T HA -0.005 4.345 4.350 0.000 0.000 0.261 629 T C 1.680 176.407 174.700 0.046 0.000 1.110 629 T CA 1.097 63.182 62.100 -0.025 0.000 1.113 629 T CB -0.070 68.494 68.868 -0.508 0.000 0.917 629 T HN 0.657 nan 8.240 nan 0.000 0.499 630 E N 1.713 121.874 120.200 -0.065 0.000 2.164 630 E HA -0.284 4.066 4.350 0.000 0.000 0.206 630 E C 2.172 178.613 176.600 -0.266 0.000 1.032 630 E CA 1.682 57.846 56.400 -0.393 0.000 0.832 630 E CB -0.449 28.901 29.700 -0.584 0.000 0.742 630 E HN 0.717 nan 8.360 nan 0.000 0.460 631 A N -0.367 122.325 122.820 -0.213 0.000 2.072 631 A HA 0.031 4.352 4.320 0.000 0.000 0.216 631 A C 0.423 177.699 177.584 -0.513 0.000 1.156 631 A CA 0.514 52.325 52.037 -0.376 0.000 0.701 631 A CB -0.163 18.567 19.000 -0.449 0.000 0.816 631 A HN 0.272 nan 8.150 nan 0.000 0.458 632 H N 0.000 119.092 119.070 0.037 0.000 2.539 632 H HA 0.000 4.556 4.556 0.000 0.000 0.296 632 H CA 0.000 56.060 56.048 0.020 0.000 1.023 632 H CB 0.000 29.745 29.762 -0.029 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496