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 1ms1_1_B 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 XXXXXXXXXc 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 0.000 176.857 176.870 -0.021 0.000 1.165 1 L CA 0.000 54.832 54.840 -0.014 0.000 0.813 1 L CB 0.000 42.062 42.059 0.005 0.000 0.961 2 A N 2.104 124.911 122.820 -0.023 0.000 2.286 2 A HA 0.820 5.140 4.320 -0.000 0.000 0.286 2 A C -2.531 175.045 177.584 -0.012 0.000 1.097 2 A CA -1.373 50.652 52.037 -0.019 0.000 0.821 2 A CB 0.037 19.025 19.000 -0.021 0.000 1.076 2 A HN 0.374 nan 8.150 nan 0.000 0.490 3 P HA 0.262 nan 4.420 nan 0.000 0.262 3 P C 0.962 178.258 177.300 -0.006 0.000 1.182 3 P CA 1.933 65.031 63.100 -0.004 0.000 0.761 3 P CB 0.609 32.309 31.700 -0.001 0.000 0.795 4 G N 1.672 110.469 108.800 -0.004 0.000 2.232 4 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.226 4 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.226 4 G C 0.464 175.359 174.900 -0.008 0.000 0.996 4 G CA -0.067 45.030 45.100 -0.005 0.000 0.626 4 G HN 0.571 nan 8.290 nan 0.000 0.509 5 S N 0.253 115.946 115.700 -0.011 0.000 2.632 5 S HA 0.796 5.266 4.470 -0.000 0.000 0.267 5 S C 0.402 175.001 174.600 -0.002 0.000 1.276 5 S CA 0.488 58.679 58.200 -0.015 0.000 0.998 5 S CB 1.648 64.835 63.200 -0.021 0.000 0.953 5 S HN 1.730 nan 8.310 nan 0.000 0.547 6 S N 0.639 116.339 115.700 -0.001 0.000 2.656 6 S HA 0.836 5.306 4.470 -0.000 0.000 0.273 6 S C -1.167 173.443 174.600 0.017 0.000 1.168 6 S CA -1.229 56.980 58.200 0.016 0.000 0.817 6 S CB 1.870 65.087 63.200 0.029 0.000 1.146 6 S HN 0.989 nan 8.310 nan 0.000 0.475 7 R N -0.869 119.652 120.500 0.034 0.000 2.716 7 R HA 0.794 5.134 4.340 -0.000 0.000 0.271 7 R C -1.702 174.641 176.300 0.072 0.000 1.028 7 R CA -0.950 55.175 56.100 0.043 0.000 0.883 7 R CB 1.060 31.365 30.300 0.009 0.000 1.250 7 R HN 1.265 nan 8.270 nan 0.000 0.465 8 V N -2.250 117.730 119.914 0.110 0.000 3.040 8 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 8 V C -0.437 175.681 176.094 0.041 0.000 1.115 8 V CA -0.993 61.357 62.300 0.084 0.000 0.998 8 V CB 1.918 33.814 31.823 0.121 0.000 1.042 8 V HN 0.943 nan 8.190 nan 0.000 0.433 9 E N 1.339 121.537 120.200 -0.003 0.000 2.003 9 E HA 0.249 4.599 4.350 -0.000 0.000 0.279 9 E C 0.150 176.693 176.600 -0.095 0.000 1.132 9 E CA -0.419 55.960 56.400 -0.035 0.000 0.888 9 E CB 1.359 31.042 29.700 -0.029 0.000 1.056 9 E HN 0.754 nan 8.360 nan 0.000 0.399 10 L N 5.607 126.752 121.223 -0.130 0.000 2.145 10 L HA 0.182 4.522 4.340 -0.000 0.000 0.201 10 L C -0.047 176.478 176.870 -0.576 0.000 1.075 10 L CA 1.385 56.000 54.840 -0.375 0.000 0.773 10 L CB 0.214 41.989 42.059 -0.473 0.000 0.936 10 L HN 0.428 nan 8.230 nan 0.000 0.451 11 F N 1.645 121.289 119.950 -0.510 0.000 2.303 11 F HA 0.345 4.872 4.527 -0.000 0.000 0.368 11 F C 0.186 175.712 175.800 -0.457 0.000 1.105 11 F CA -0.774 56.715 58.000 -0.851 0.000 1.153 11 F CB 0.356 38.628 39.000 -1.213 0.000 1.362 11 F HN -0.178 nan 8.300 nan 0.000 0.511 12 K N 4.404 124.718 120.400 -0.145 0.000 2.285 12 K HA 0.281 4.601 4.320 -0.000 0.000 0.286 12 K C 0.132 176.886 176.600 0.256 0.000 1.072 12 K CA -0.767 55.554 56.287 0.056 0.000 0.913 12 K CB 0.829 33.327 32.500 -0.004 0.000 1.067 12 K HN 0.612 nan 8.250 nan 0.000 0.479 13 R N 2.726 123.368 120.500 0.236 0.000 2.585 13 R HA -0.096 4.244 4.340 -0.000 0.000 0.275 13 R C -0.417 175.914 176.300 0.052 0.000 1.018 13 R CA 0.096 56.291 56.100 0.160 0.000 1.072 13 R CB -0.028 30.297 30.300 0.041 0.000 0.953 13 R HN 0.713 nan 8.270 nan 0.000 0.419 14 Q N -0.258 119.538 119.800 -0.006 0.000 2.461 14 Q HA -0.305 4.035 4.340 -0.000 0.000 0.264 14 Q C 0.270 176.286 176.000 0.027 0.000 1.085 14 Q CA 1.273 57.063 55.803 -0.023 0.000 1.006 14 Q CB -1.201 27.486 28.738 -0.085 0.000 1.437 14 Q HN 0.896 nan 8.270 nan 0.000 0.514 15 S N -2.043 113.704 115.700 0.079 0.000 3.770 15 S HA 0.136 4.606 4.470 -0.000 0.000 0.238 15 S C 0.221 174.874 174.600 0.088 0.000 1.143 15 S CA 0.298 58.535 58.200 0.063 0.000 0.869 15 S CB 0.539 63.761 63.200 0.037 0.000 1.057 15 S HN 0.259 nan 8.310 nan 0.000 0.507 16 S N 2.735 118.518 115.700 0.138 0.000 2.549 16 S HA 0.310 4.780 4.470 -0.000 0.000 0.286 16 S C -0.438 174.284 174.600 0.204 0.000 1.314 16 S CA 0.264 58.534 58.200 0.118 0.000 1.062 16 S CB 0.450 63.664 63.200 0.023 0.000 0.865 16 S HN 0.389 nan 8.310 nan 0.000 0.498 17 K N 1.466 121.941 120.400 0.125 0.000 2.156 17 K HA 0.694 5.014 4.320 -0.000 0.000 0.250 17 K C -0.506 176.192 176.600 0.162 0.000 0.955 17 K CA -0.850 55.525 56.287 0.146 0.000 0.855 17 K CB 1.604 34.161 32.500 0.095 0.000 1.101 17 K HN 0.463 nan 8.250 nan 0.000 0.434 18 V N -1.448 118.595 119.914 0.214 0.000 3.040 18 V HA 0.538 4.658 4.120 -0.000 0.000 0.312 18 V C -2.827 173.408 176.094 0.235 0.000 1.115 18 V CA -2.914 59.519 62.300 0.222 0.000 0.998 18 V CB 1.794 33.783 31.823 0.277 0.000 1.042 18 V HN 0.552 nan 8.190 nan 0.000 0.433 19 P HA 0.253 nan 4.420 nan 0.000 0.268 19 P C -0.876 176.547 177.300 0.205 0.000 1.541 19 P CA 0.203 63.403 63.100 0.167 0.000 1.093 19 P CB -0.429 31.338 31.700 0.111 0.000 1.551 20 F N 3.149 123.144 119.950 0.075 0.000 2.444 20 F HA 0.207 4.734 4.527 -0.000 0.000 0.360 20 F C 0.608 176.395 175.800 -0.022 0.000 1.106 20 F CA -0.684 57.323 58.000 0.013 0.000 1.170 20 F CB 0.554 39.482 39.000 -0.120 0.000 1.113 20 F HN 0.189 nan 8.300 nan 0.000 0.521 21 E N 7.221 127.044 120.200 -0.628 0.000 2.134 21 E HA 0.313 4.662 4.350 -0.000 0.000 0.278 21 E C -1.354 174.793 176.600 -0.756 0.000 0.959 21 E CA -0.713 55.381 56.400 -0.509 0.000 0.783 21 E CB 0.842 30.388 29.700 -0.256 0.000 1.095 21 E HN 0.724 nan 8.360 nan 0.000 0.399 22 K N 4.112 124.208 120.400 -0.506 0.000 2.550 22 K HA 0.143 4.463 4.320 -0.000 0.000 0.252 22 K C -1.301 175.205 176.600 -0.158 0.000 0.943 22 K CA -0.539 55.535 56.287 -0.355 0.000 0.806 22 K CB 1.048 33.354 32.500 -0.323 0.000 1.289 22 K HN 0.551 nan 8.250 nan 0.000 0.435 23 D N 3.059 123.392 120.400 -0.112 0.000 2.708 23 D HA -0.194 4.446 4.640 -0.000 0.000 0.236 23 D C 0.689 176.955 176.300 -0.057 0.000 1.146 23 D CA 1.914 55.875 54.000 -0.064 0.000 0.662 23 D CB -1.237 39.540 40.800 -0.038 0.000 1.059 23 D HN 1.094 nan 8.370 nan 0.000 0.428 24 G N -0.276 108.483 108.800 -0.070 0.000 2.220 24 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.269 24 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.269 24 G C 0.350 175.221 174.900 -0.048 0.000 0.977 24 G CA 1.027 46.096 45.100 -0.052 0.000 0.634 24 G HN 0.699 nan 8.290 nan 0.000 0.539 25 K N 0.245 120.611 120.400 -0.058 0.000 2.159 25 K HA 0.647 4.967 4.320 -0.000 0.000 0.266 25 K C -0.393 176.174 176.600 -0.055 0.000 0.975 25 K CA -0.737 55.527 56.287 -0.038 0.000 0.865 25 K CB 1.689 34.178 32.500 -0.017 0.000 1.087 25 K HN 0.043 nan 8.250 nan 0.000 0.446 26 V N 3.631 123.532 119.914 -0.021 0.000 2.417 26 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 26 V C -0.718 175.402 176.094 0.044 0.000 1.024 26 V CA -0.584 61.713 62.300 -0.005 0.000 0.861 26 V CB 1.714 33.540 31.823 0.005 0.000 0.985 26 V HN 0.929 nan 8.190 nan 0.000 0.436 27 T N 3.541 118.152 114.554 0.095 0.000 2.886 27 T HA 0.351 4.701 4.350 -0.000 0.000 0.292 27 T C -0.555 174.231 174.700 0.143 0.000 1.012 27 T CA -0.679 61.491 62.100 0.117 0.000 0.982 27 T CB 1.709 70.660 68.868 0.138 0.000 1.018 27 T HN 0.544 nan 8.240 nan 0.000 0.451 28 E N 2.774 123.037 120.200 0.104 0.000 2.159 28 E HA 0.105 4.455 4.350 -0.000 0.000 0.272 28 E C 0.028 176.692 176.600 0.107 0.000 1.138 28 E CA 0.078 56.543 56.400 0.108 0.000 0.915 28 E CB 0.602 30.347 29.700 0.074 0.000 1.028 28 E HN 0.384 nan 8.360 nan 0.000 0.423 29 R N 2.288 122.876 120.500 0.146 0.000 2.514 29 R HA 0.342 4.682 4.340 -0.000 0.000 0.301 29 R C -0.547 175.836 176.300 0.138 0.000 0.962 29 R CA -0.698 55.464 56.100 0.102 0.000 0.882 29 R CB 1.124 31.440 30.300 0.026 0.000 1.143 29 R HN 0.168 nan 8.270 nan 0.000 0.452 30 V N 4.383 124.350 119.914 0.089 0.000 2.715 30 V HA 0.126 4.246 4.120 -0.000 0.000 0.299 30 V C -0.010 176.143 176.094 0.099 0.000 1.054 30 V CA -0.229 62.128 62.300 0.095 0.000 1.077 30 V CB 1.443 33.301 31.823 0.058 0.000 0.972 30 V HN 0.479 nan 8.190 nan 0.000 0.484 31 V N 3.984 123.928 119.914 0.049 0.000 2.459 31 V HA 0.259 4.379 4.120 -0.000 0.000 0.295 31 V C 1.018 177.019 176.094 -0.155 0.000 1.029 31 V CA -0.417 61.790 62.300 -0.155 0.000 0.874 31 V CB 1.182 32.649 31.823 -0.594 0.000 0.985 31 V HN 0.981 nan 8.190 nan 0.000 0.438 32 H N 2.876 121.830 119.070 -0.192 0.000 2.253 32 H HA -0.002 4.554 4.556 -0.000 0.000 0.296 32 H C 0.463 175.707 175.328 -0.140 0.000 1.074 32 H CA 1.784 57.763 56.048 -0.115 0.000 1.263 32 H CB 0.593 30.309 29.762 -0.076 0.000 1.363 32 H HN 0.591 nan 8.280 nan 0.000 0.489 33 S N -0.786 114.878 115.700 -0.060 0.000 2.548 33 S HA 0.444 4.914 4.470 -0.000 0.000 0.286 33 S C -1.420 172.946 174.600 -0.389 0.000 1.098 33 S CA -0.637 57.531 58.200 -0.053 0.000 0.930 33 S CB 1.841 65.166 63.200 0.209 0.000 1.070 33 S HN 0.203 nan 8.310 nan 0.000 0.480 34 F N 1.948 121.904 119.950 0.011 0.000 2.467 34 F HA 0.624 5.151 4.527 -0.000 0.000 0.336 34 F C 0.820 176.544 175.800 -0.127 0.000 1.123 34 F CA -0.625 57.322 58.000 -0.089 0.000 0.964 34 F CB 1.382 40.332 39.000 -0.083 0.000 1.136 34 F HN 0.234 nan 8.300 nan 0.000 0.447 35 R N 1.656 122.126 120.500 -0.050 0.000 2.869 35 R HA 0.644 4.984 4.340 -0.000 0.000 0.263 35 R C -1.014 175.251 176.300 -0.058 0.000 1.066 35 R CA -1.312 54.724 56.100 -0.106 0.000 0.960 35 R CB 1.853 31.986 30.300 -0.278 0.000 1.221 35 R HN 0.688 nan 8.270 nan 0.000 0.474 36 L N 1.262 122.515 121.223 0.051 0.000 3.664 36 L HA -0.133 4.207 4.340 -0.000 0.000 0.560 36 L C -2.184 174.690 176.870 0.008 0.000 1.285 36 L CA -0.408 54.489 54.840 0.096 0.000 0.864 36 L CB -1.154 40.928 42.059 0.038 0.000 1.512 36 L HN 0.383 nan 8.230 nan 0.000 0.853 37 P HA 0.308 nan 4.420 nan 0.000 0.271 37 P C -0.433 176.886 177.300 0.032 0.000 1.216 37 P CA 0.061 63.140 63.100 -0.034 0.000 0.776 37 P CB 1.520 33.227 31.700 0.011 0.000 0.881 38 A N 3.708 126.552 122.820 0.041 0.000 2.414 38 A HA 0.547 4.867 4.320 -0.000 0.000 0.286 38 A C -1.446 176.224 177.584 0.144 0.000 1.073 38 A CA -0.599 51.500 52.037 0.102 0.000 0.727 38 A CB 0.805 19.870 19.000 0.109 0.000 1.215 38 A HN 0.494 nan 8.150 nan 0.000 0.430 39 L N 4.284 125.615 121.223 0.179 0.000 2.349 39 L HA 0.833 5.173 4.340 -0.000 0.000 0.278 39 L C -0.488 176.514 176.870 0.220 0.000 0.996 39 L CA -0.362 54.617 54.840 0.231 0.000 0.825 39 L CB 1.779 44.008 42.059 0.283 0.000 1.243 39 L HN 0.975 nan 8.230 nan 0.000 0.412 40 V N 1.787 121.829 119.914 0.214 0.000 3.160 40 V HA 0.733 4.853 4.120 -0.000 0.000 0.310 40 V C -1.112 175.072 176.094 0.151 0.000 1.181 40 V CA -0.811 61.596 62.300 0.179 0.000 1.047 40 V CB 2.061 33.985 31.823 0.168 0.000 1.068 40 V HN 0.832 nan 8.190 nan 0.000 0.441 41 N N 0.773 119.544 118.700 0.118 0.000 2.417 41 N HA 0.594 5.334 4.740 -0.000 0.000 0.274 41 N C -1.273 174.271 175.510 0.058 0.000 0.987 41 N CA -0.449 52.647 53.050 0.076 0.000 0.912 41 N CB 1.735 40.261 38.487 0.064 0.000 1.177 41 N HN 0.715 nan 8.380 nan 0.000 0.490 42 V N 3.590 123.524 119.914 0.034 0.000 2.284 42 V HA 0.256 4.376 4.120 -0.000 0.000 0.274 42 V C 0.186 176.271 176.094 -0.014 0.000 1.023 42 V CA -0.642 61.664 62.300 0.010 0.000 0.808 42 V CB 0.536 32.352 31.823 -0.012 0.000 1.035 42 V HN 0.888 nan 8.190 nan 0.000 0.445 43 D N 4.166 124.560 120.400 -0.009 0.000 2.772 43 D HA -0.188 4.452 4.640 -0.000 0.000 0.233 43 D C 1.272 177.556 176.300 -0.025 0.000 1.143 43 D CA 2.147 56.135 54.000 -0.020 0.000 0.700 43 D CB -1.100 39.681 40.800 -0.032 0.000 1.076 43 D HN 1.378 nan 8.370 nan 0.000 0.430 44 G N -2.565 106.223 108.800 -0.021 0.000 2.194 44 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.236 44 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.236 44 G C 0.283 175.156 174.900 -0.045 0.000 0.987 44 G CA 0.104 45.186 45.100 -0.031 0.000 0.635 44 G HN 0.939 nan 8.290 nan 0.000 0.520 45 V N 2.776 122.668 119.914 -0.037 0.000 2.370 45 V HA 0.552 4.672 4.120 -0.000 0.000 0.279 45 V C 0.926 177.011 176.094 -0.015 0.000 1.029 45 V CA -0.366 61.912 62.300 -0.037 0.000 0.870 45 V CB 1.501 33.304 31.823 -0.032 0.000 0.984 45 V HN 0.359 nan 8.190 nan 0.000 0.451 46 M N 4.902 124.462 119.600 -0.065 0.000 2.200 46 M HA 0.371 4.850 4.480 -0.000 0.000 0.355 46 M C -0.826 175.562 176.300 0.147 0.000 1.283 46 M CA 0.085 55.376 55.300 -0.014 0.000 1.124 46 M CB 1.181 33.664 32.600 -0.195 0.000 1.625 46 M HN 0.416 nan 8.290 nan 0.000 0.463 47 V N 2.910 122.977 119.914 0.255 0.000 2.577 47 V HA 0.682 4.801 4.120 -0.000 0.000 0.303 47 V C -0.418 175.901 176.094 0.375 0.000 1.042 47 V CA -0.920 61.595 62.300 0.359 0.000 0.872 47 V CB 1.708 33.697 31.823 0.278 0.000 0.998 47 V HN 0.917 nan 8.190 nan 0.000 0.423 48 A N 6.085 129.159 122.820 0.424 0.000 2.304 48 A HA 0.910 5.230 4.320 -0.000 0.000 0.314 48 A C -0.842 176.906 177.584 0.273 0.000 1.187 48 A CA -0.393 51.831 52.037 0.311 0.000 0.810 48 A CB 0.600 19.757 19.000 0.261 0.000 1.183 48 A HN 0.773 nan 8.150 nan 0.000 0.487 49 I N 1.629 122.285 120.570 0.144 0.000 2.530 49 I HA 0.760 4.930 4.170 -0.000 0.000 0.297 49 I C 0.363 176.437 176.117 -0.072 0.000 1.011 49 I CA -0.112 61.236 61.300 0.079 0.000 1.107 49 I CB 2.200 40.271 38.000 0.118 0.000 1.285 49 I HN 0.841 nan 8.210 nan 0.000 0.436 50 A N 3.629 126.384 122.820 -0.108 0.000 2.564 50 A HA 0.541 4.861 4.320 -0.000 0.000 0.291 50 A C -1.900 175.630 177.584 -0.091 0.000 1.102 50 A CA -0.719 51.218 52.037 -0.168 0.000 0.660 50 A CB 1.096 19.838 19.000 -0.429 0.000 1.283 50 A HN 0.522 nan 8.150 nan 0.000 0.430 51 D N 1.072 121.415 120.400 -0.095 0.000 2.350 51 D HA 0.516 5.156 4.640 -0.000 0.000 0.249 51 D C 0.109 176.336 176.300 -0.123 0.000 1.119 51 D CA 0.893 54.824 54.000 -0.114 0.000 0.886 51 D CB 1.464 42.178 40.800 -0.143 0.000 1.195 51 D HN 0.812 nan 8.370 nan 0.000 0.437 52 A N 3.982 126.670 122.820 -0.220 0.000 2.412 52 A HA 0.324 4.644 4.320 -0.000 0.000 0.334 52 A C 0.046 177.244 177.584 -0.643 0.000 1.419 52 A CA -0.728 51.016 52.037 -0.490 0.000 0.930 52 A CB 0.210 18.930 19.000 -0.466 0.000 1.149 52 A HN 0.398 nan 8.150 nan 0.000 0.515 53 R N 3.060 123.235 120.500 -0.542 0.000 2.296 53 R HA 0.208 4.548 4.340 -0.000 0.000 0.327 53 R C -0.342 175.772 176.300 -0.310 0.000 1.137 53 R CA -0.159 55.734 56.100 -0.344 0.000 1.020 53 R CB 0.168 30.331 30.300 -0.229 0.000 1.110 53 R HN 0.842 nan 8.270 nan 0.000 0.499 54 Y N 1.462 121.667 120.300 -0.160 0.000 2.114 54 Y HA -0.280 4.270 4.550 -0.000 0.000 0.282 54 Y C 1.613 177.446 175.900 -0.111 0.000 1.165 54 Y CA 1.622 59.626 58.100 -0.161 0.000 1.148 54 Y CB 0.285 38.624 38.460 -0.201 0.000 0.972 54 Y HN 0.534 nan 8.280 nan 0.000 0.504 55 E N -2.057 118.162 120.200 0.033 0.000 2.434 55 E HA 0.119 4.469 4.350 -0.000 0.000 0.207 55 E C 0.416 176.854 176.600 -0.269 0.000 0.929 55 E CA 0.502 56.875 56.400 -0.044 0.000 1.001 55 E CB 1.098 30.773 29.700 -0.042 0.000 1.016 55 E HN 0.121 nan 8.360 nan 0.000 0.502 56 T N -1.182 113.130 114.554 -0.402 0.000 2.749 56 T HA 0.108 4.458 4.350 -0.000 0.000 0.310 56 T C -0.019 174.454 174.700 -0.378 0.000 1.496 56 T CA -0.110 61.557 62.100 -0.722 0.000 1.006 56 T CB 1.276 69.965 68.868 -0.299 0.000 1.457 56 T HN -0.039 nan 8.240 nan 0.000 0.497 57 S N 1.343 116.917 115.700 -0.210 0.000 2.575 57 S HA 0.255 4.725 4.470 -0.000 0.000 0.215 57 S C 0.587 175.168 174.600 -0.031 0.000 0.966 57 S CA -0.399 57.785 58.200 -0.028 0.000 0.911 57 S CB -0.534 62.784 63.200 0.197 0.000 0.780 57 S HN 0.581 nan 8.310 nan 0.000 0.514 58 F N 4.106 123.969 119.950 -0.146 0.000 2.629 58 F HA 0.098 4.625 4.527 -0.000 0.000 0.377 58 F C 0.972 176.699 175.800 -0.121 0.000 1.101 58 F CA -0.680 57.247 58.000 -0.122 0.000 1.301 58 F CB 0.260 39.197 39.000 -0.105 0.000 1.062 58 F HN 0.028 nan 8.300 nan 0.000 0.583 59 D N 2.746 122.724 120.400 -0.705 0.000 2.149 59 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 59 D C 0.334 176.309 176.300 -0.542 0.000 0.990 59 D CA 1.470 55.141 54.000 -0.549 0.000 0.839 59 D CB -0.093 40.435 40.800 -0.453 0.000 0.948 59 D HN 0.467 nan 8.370 nan 0.000 0.460 60 N N 0.949 119.128 118.700 -0.867 0.000 3.228 60 N HA 0.100 4.840 4.740 -0.000 0.000 0.289 60 N C -0.287 175.209 175.510 -0.023 0.000 1.419 60 N CA -0.029 52.791 53.050 -0.383 0.000 1.088 60 N CB 0.955 39.253 38.487 -0.314 0.000 1.357 60 N HN 0.063 nan 8.380 nan 0.000 0.504 61 S N -0.830 114.858 115.700 -0.021 0.000 2.851 61 S HA 0.482 4.952 4.470 -0.000 0.000 0.313 61 S C -0.481 174.141 174.600 0.036 0.000 1.163 61 S CA -0.878 57.360 58.200 0.064 0.000 0.850 61 S CB 1.278 64.526 63.200 0.081 0.000 1.245 61 S HN 0.126 nan 8.310 nan 0.000 0.558 62 L N 1.349 122.610 121.223 0.063 0.000 2.456 62 L HA 0.539 4.879 4.340 -0.000 0.000 0.277 62 L C -1.170 175.791 176.870 0.152 0.000 1.124 62 L CA 0.370 55.281 54.840 0.119 0.000 0.880 62 L CB -0.851 41.286 42.059 0.130 0.000 1.192 62 L HN 0.554 nan 8.230 nan 0.000 0.463 63 I N 4.076 124.716 120.570 0.117 0.000 2.569 63 I HA 0.393 4.563 4.170 -0.000 0.000 0.290 63 I C -0.953 175.208 176.117 0.074 0.000 1.088 63 I CA -0.784 60.531 61.300 0.026 0.000 1.047 63 I CB 2.031 39.992 38.000 -0.064 0.000 1.237 63 I HN 0.407 nan 8.210 nan 0.000 0.421 64 D N 2.798 123.219 120.400 0.034 0.000 2.350 64 D HA 0.416 5.056 4.640 -0.000 0.000 0.238 64 D C -0.623 175.642 176.300 -0.058 0.000 0.989 64 D CA -0.269 53.766 54.000 0.059 0.000 0.921 64 D CB 2.293 43.226 40.800 0.222 0.000 1.297 64 D HN 0.328 nan 8.370 nan 0.000 0.490 65 T N 0.587 115.093 114.554 -0.081 0.000 2.728 65 T HA 0.328 4.678 4.350 -0.000 0.000 0.296 65 T C 0.034 174.667 174.700 -0.112 0.000 0.940 65 T CA -0.373 61.656 62.100 -0.118 0.000 1.013 65 T CB 0.851 69.613 68.868 -0.176 0.000 0.912 65 T HN 0.071 nan 8.240 nan 0.000 0.484 66 V N 2.925 122.823 119.914 -0.025 0.000 2.716 66 V HA 0.870 4.990 4.120 -0.000 0.000 0.304 66 V C -0.425 175.725 176.094 0.094 0.000 1.053 66 V CA -0.605 61.737 62.300 0.071 0.000 0.984 66 V CB 1.289 33.267 31.823 0.258 0.000 1.021 66 V HN 1.040 nan 8.190 nan 0.000 0.467 67 A N 5.842 128.748 122.820 0.144 0.000 2.393 67 A HA 0.805 5.125 4.320 -0.000 0.000 0.306 67 A C -0.794 176.976 177.584 0.309 0.000 1.050 67 A CA -0.819 51.377 52.037 0.264 0.000 0.724 67 A CB 1.424 20.615 19.000 0.319 0.000 1.248 67 A HN 0.825 nan 8.150 nan 0.000 0.424 68 K N 0.952 121.549 120.400 0.328 0.000 2.316 68 K HA 0.656 4.976 4.320 -0.000 0.000 0.251 68 K C -1.675 175.236 176.600 0.518 0.000 0.934 68 K CA -0.516 55.892 56.287 0.201 0.000 0.802 68 K CB 2.188 34.533 32.500 -0.257 0.000 1.171 68 K HN 0.758 nan 8.250 nan 0.000 0.426 69 Y N -1.921 118.622 120.300 0.404 0.000 2.524 69 Y HA 0.680 5.230 4.550 -0.000 0.000 0.347 69 Y C -0.769 175.100 175.900 -0.051 0.000 1.005 69 Y CA -1.071 57.180 58.100 0.252 0.000 1.025 69 Y CB 1.993 40.536 38.460 0.139 0.000 1.275 69 Y HN 0.420 nan 8.280 nan 0.000 0.460 70 S N 1.234 116.760 115.700 -0.290 0.000 2.541 70 S HA 0.555 5.025 4.470 -0.000 0.000 0.280 70 S C -0.283 174.105 174.600 -0.352 0.000 1.112 70 S CA -0.155 57.653 58.200 -0.653 0.000 0.925 70 S CB 1.553 63.769 63.200 -1.641 0.000 1.067 70 S HN 1.414 nan 8.310 nan 0.000 0.479 71 V N 0.554 120.312 119.914 -0.260 0.000 3.578 71 V HA 0.429 4.548 4.120 -0.000 0.000 0.290 71 V C 0.191 176.179 176.094 -0.176 0.000 1.376 71 V CA 0.514 62.719 62.300 -0.158 0.000 1.083 71 V CB -0.161 31.616 31.823 -0.078 0.000 0.911 71 V HN 0.802 nan 8.190 nan 0.000 0.433 72 D N -1.020 119.226 120.400 -0.256 0.000 2.788 72 D HA 0.181 4.821 4.640 -0.000 0.000 0.289 72 D C 0.085 176.263 176.300 -0.204 0.000 1.340 72 D CA -0.383 53.502 54.000 -0.192 0.000 0.831 72 D CB -0.422 40.282 40.800 -0.159 0.000 1.103 72 D HN 0.224 nan 8.370 nan 0.000 0.476 73 D N 0.235 120.484 120.400 -0.251 0.000 2.772 73 D HA -0.143 4.497 4.640 -0.000 0.000 0.233 73 D C 1.270 177.434 176.300 -0.226 0.000 1.143 73 D CA 1.510 55.383 54.000 -0.212 0.000 0.700 73 D CB -1.356 39.438 40.800 -0.009 0.000 1.076 73 D HN 0.716 nan 8.370 nan 0.000 0.430 74 G N -0.723 107.715 108.800 -0.604 0.000 2.175 74 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.244 74 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.244 74 G C 0.945 175.725 174.900 -0.201 0.000 0.982 74 G CA 0.532 45.263 45.100 -0.616 0.000 0.641 74 G HN 0.365 nan 8.290 nan 0.000 0.527 75 E N 0.382 120.453 120.200 -0.215 0.000 2.028 75 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 75 E C 1.669 178.216 176.600 -0.089 0.000 0.988 75 E CA 1.857 58.218 56.400 -0.066 0.000 0.799 75 E CB -0.236 29.427 29.700 -0.063 0.000 0.755 75 E HN 0.911 nan 8.360 nan 0.000 0.447 76 T N -2.287 112.101 114.554 -0.276 0.000 2.893 76 T HA 0.549 4.899 4.350 -0.000 0.000 0.291 76 T C -1.136 173.312 174.700 -0.420 0.000 1.028 76 T CA -0.915 61.074 62.100 -0.185 0.000 0.995 76 T CB 1.392 70.180 68.868 -0.133 0.000 1.051 76 T HN 0.017 nan 8.240 nan 0.000 0.470 77 W N 0.321 121.468 121.300 -0.255 0.000 3.033 77 W HA 0.627 5.286 4.660 -0.000 0.000 0.336 77 W C -0.249 176.039 176.519 -0.385 0.000 1.173 77 W CA -0.751 56.390 57.345 -0.341 0.000 1.185 77 W CB 1.586 30.817 29.460 -0.383 0.000 1.425 77 W HN 0.584 nan 8.180 nan 0.000 0.536 78 E N 0.890 120.871 120.200 -0.365 0.000 2.227 78 E HA 0.652 5.001 4.350 -0.000 0.000 0.268 78 E C -0.737 175.655 176.600 -0.348 0.000 0.990 78 E CA -0.572 55.553 56.400 -0.458 0.000 0.856 78 E CB 1.957 31.183 29.700 -0.789 0.000 1.159 78 E HN 0.230 nan 8.360 nan 0.000 0.401 79 T N 1.735 116.199 114.554 -0.150 0.000 2.876 79 T HA 0.506 4.855 4.350 -0.000 0.000 0.289 79 T C -0.459 174.297 174.700 0.093 0.000 1.014 79 T CA -0.882 61.198 62.100 -0.032 0.000 0.986 79 T CB 1.705 70.532 68.868 -0.068 0.000 1.021 79 T HN 0.475 nan 8.240 nan 0.000 0.458 80 Q N 1.212 121.107 119.800 0.157 0.000 2.630 80 Q HA 0.563 4.903 4.340 -0.000 0.000 0.295 80 Q C -1.813 174.249 176.000 0.102 0.000 0.944 80 Q CA -1.114 54.791 55.803 0.171 0.000 0.766 80 Q CB 1.194 30.106 28.738 0.290 0.000 1.471 80 Q HN 0.365 nan 8.270 nan 0.000 0.416 81 I N 1.902 122.502 120.570 0.049 0.000 2.315 81 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 81 I C 0.825 176.783 176.117 -0.264 0.000 1.006 81 I CA -0.100 61.176 61.300 -0.040 0.000 1.265 81 I CB 0.848 38.865 38.000 0.028 0.000 1.387 81 I HN 1.000 nan 8.210 nan 0.000 0.475 82 A N 7.774 130.266 122.820 -0.547 0.000 1.898 82 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 82 A C 0.884 177.999 177.584 -0.783 0.000 1.183 82 A CA 1.044 52.265 52.037 -1.360 0.000 0.622 82 A CB 0.143 18.113 19.000 -1.717 0.000 0.824 82 A HN 0.619 nan 8.150 nan 0.000 0.444 83 I N 0.129 120.447 120.570 -0.420 0.000 2.571 83 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 83 I C -0.866 175.179 176.117 -0.120 0.000 1.115 83 I CA -0.850 60.318 61.300 -0.221 0.000 1.045 83 I CB 2.284 40.168 38.000 -0.195 0.000 1.238 83 I HN 0.256 nan 8.210 nan 0.000 0.424 84 K N 5.248 125.602 120.400 -0.077 0.000 2.123 84 K HA 0.485 4.805 4.320 -0.000 0.000 0.259 84 K C -0.453 176.128 176.600 -0.032 0.000 0.960 84 K CA -0.796 55.471 56.287 -0.033 0.000 0.872 84 K CB 1.424 33.892 32.500 -0.054 0.000 1.079 84 K HN 0.679 nan 8.250 nan 0.000 0.440 85 N N 0.691 119.395 118.700 0.007 0.000 2.294 85 N HA -0.105 4.635 4.740 -0.000 0.000 0.248 85 N C 0.631 176.129 175.510 -0.019 0.000 1.300 85 N CA -0.127 52.921 53.050 -0.003 0.000 0.925 85 N CB 0.825 39.336 38.487 0.040 0.000 1.188 85 N HN 0.789 nan 8.380 nan 0.000 0.512 86 S N -0.558 115.128 115.700 -0.024 0.000 2.474 86 S HA -0.113 4.357 4.470 -0.000 0.000 0.235 86 S C 0.578 175.167 174.600 -0.018 0.000 0.997 86 S CA 0.058 58.240 58.200 -0.031 0.000 0.949 86 S CB -0.387 62.791 63.200 -0.035 0.000 0.766 86 S HN 0.665 nan 8.310 nan 0.000 0.517 87 R N -0.406 120.096 120.500 0.004 0.000 3.758 87 R HA -0.189 4.151 4.340 -0.000 0.000 0.299 87 R C 1.016 177.324 176.300 0.013 0.000 1.182 87 R CA 0.838 56.945 56.100 0.013 0.000 0.809 87 R CB -2.676 27.611 30.300 -0.021 0.000 1.249 87 R HN 0.704 nan 8.270 nan 0.000 0.497 88 A N -0.116 122.713 122.820 0.015 0.000 2.021 88 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 88 A C 1.084 178.681 177.584 0.023 0.000 1.163 88 A CA 1.442 53.487 52.037 0.014 0.000 0.676 88 A CB 0.224 19.231 19.000 0.011 0.000 0.818 88 A HN 0.651 nan 8.150 nan 0.000 0.453 89 S N -2.540 113.180 115.700 0.033 0.000 2.752 89 S HA 0.364 4.834 4.470 -0.000 0.000 0.284 89 S C 0.705 175.329 174.600 0.041 0.000 1.189 89 S CA 0.425 58.646 58.200 0.035 0.000 0.835 89 S CB 0.620 63.843 63.200 0.038 0.000 1.192 89 S HN 0.763 nan 8.310 nan 0.000 0.506 90 S N -0.176 115.545 115.700 0.035 0.000 2.515 90 S HA -0.019 4.450 4.470 -0.000 0.000 0.231 90 S C 1.367 175.994 174.600 0.045 0.000 0.987 90 S CA 0.835 59.054 58.200 0.031 0.000 0.936 90 S CB -0.880 62.330 63.200 0.016 0.000 0.766 90 S HN 1.708 nan 8.310 nan 0.000 0.528 91 V N -2.085 117.863 119.914 0.057 0.000 3.276 91 V HA 0.434 4.553 4.120 -0.000 0.000 0.319 91 V C 0.286 176.425 176.094 0.075 0.000 1.427 91 V CA -0.641 61.701 62.300 0.069 0.000 1.102 91 V CB -0.466 31.407 31.823 0.083 0.000 1.020 91 V HN 0.257 nan 8.190 nan 0.000 0.456 92 S N 3.044 118.789 115.700 0.075 0.000 2.558 92 S HA 0.521 4.991 4.470 -0.000 0.000 0.288 92 S C 0.196 174.845 174.600 0.081 0.000 1.318 92 S CA 0.028 58.275 58.200 0.078 0.000 1.056 92 S CB 0.179 63.414 63.200 0.059 0.000 0.853 92 S HN 0.950 nan 8.310 nan 0.000 0.505 93 R N -0.566 119.981 120.500 0.078 0.000 2.634 93 R HA 0.565 4.905 4.340 -0.000 0.000 0.263 93 R C -1.785 174.535 176.300 0.033 0.000 1.060 93 R CA -1.062 55.072 56.100 0.057 0.000 0.898 93 R CB 0.538 30.860 30.300 0.037 0.000 1.253 93 R HN 0.379 nan 8.270 nan 0.000 0.461 94 V N -0.192 119.714 119.914 -0.013 0.000 2.435 94 V HA 0.823 4.943 4.120 -0.000 0.000 0.290 94 V C 0.393 176.442 176.094 -0.075 0.000 1.030 94 V CA -0.695 61.566 62.300 -0.065 0.000 0.881 94 V CB 1.085 32.851 31.823 -0.095 0.000 0.983 94 V HN 0.713 nan 8.190 nan 0.000 0.445 95 V N 0.083 119.940 119.914 -0.095 0.000 3.102 95 V HA 0.659 4.779 4.120 -0.000 0.000 0.312 95 V C -0.125 175.871 176.094 -0.164 0.000 1.135 95 V CA -0.733 61.495 62.300 -0.119 0.000 1.022 95 V CB 1.782 33.537 31.823 -0.113 0.000 1.056 95 V HN 0.965 nan 8.190 nan 0.000 0.436 96 D N 0.901 121.208 120.400 -0.156 0.000 2.735 96 D HA -0.103 4.537 4.640 -0.000 0.000 0.235 96 D C -2.276 173.942 176.300 -0.137 0.000 1.175 96 D CA 0.908 54.817 54.000 -0.152 0.000 0.683 96 D CB -0.913 39.758 40.800 -0.216 0.000 1.008 96 D HN 0.743 nan 8.370 nan 0.000 0.416 97 P HA 0.001 nan 4.420 nan 0.000 0.263 97 P C -0.276 177.012 177.300 -0.019 0.000 1.195 97 P CA 0.471 63.526 63.100 -0.075 0.000 0.762 97 P CB 0.839 32.504 31.700 -0.059 0.000 0.799 98 T N 2.848 117.403 114.554 0.002 0.000 2.824 98 T HA 0.391 4.741 4.350 -0.000 0.000 0.282 98 T C -0.111 174.772 174.700 0.305 0.000 0.993 98 T CA -0.484 61.689 62.100 0.123 0.000 0.967 98 T CB 1.269 70.177 68.868 0.066 0.000 0.960 98 T HN 0.073 nan 8.240 nan 0.000 0.441 99 V N 4.409 124.517 119.914 0.324 0.000 2.513 99 V HA 0.594 4.714 4.120 -0.000 0.000 0.299 99 V C -0.336 175.944 176.094 0.309 0.000 1.035 99 V CA -0.833 61.669 62.300 0.336 0.000 0.889 99 V CB 1.632 33.606 31.823 0.251 0.000 0.988 99 V HN 0.803 nan 8.190 nan 0.000 0.440 100 I N 3.999 124.752 120.570 0.306 0.000 2.498 100 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 100 I C -0.727 175.540 176.117 0.250 0.000 1.032 100 I CA -0.860 60.546 61.300 0.176 0.000 1.073 100 I CB 2.312 40.297 38.000 -0.024 0.000 1.251 100 I HN 0.276 nan 8.210 nan 0.000 0.426 101 V N 6.190 126.208 119.914 0.173 0.000 2.427 101 V HA 0.412 4.532 4.120 -0.000 0.000 0.286 101 V C -0.132 176.050 176.094 0.145 0.000 1.034 101 V CA -0.519 61.879 62.300 0.163 0.000 0.893 101 V CB 1.578 33.469 31.823 0.113 0.000 0.982 101 V HN 0.628 nan 8.190 nan 0.000 0.452 102 K N 3.373 123.887 120.400 0.190 0.000 2.637 102 K HA 0.577 4.897 4.320 -0.000 0.000 0.248 102 K C 0.516 177.181 176.600 0.109 0.000 0.971 102 K CA 0.390 56.761 56.287 0.140 0.000 0.858 102 K CB 1.331 33.921 32.500 0.150 0.000 1.170 102 K HN 0.951 nan 8.250 nan 0.000 0.443 103 G N 3.605 112.436 108.800 0.051 0.000 2.591 103 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.298 103 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.298 103 G C 0.159 175.060 174.900 0.001 0.000 1.195 103 G CA 0.539 45.652 45.100 0.021 0.000 0.989 103 G HN 0.811 nan 8.290 nan 0.000 0.551 104 N N 1.367 120.051 118.700 -0.027 0.000 2.251 104 N HA 0.169 4.909 4.740 -0.000 0.000 0.217 104 N C 0.213 175.653 175.510 -0.117 0.000 1.124 104 N CA 0.489 53.498 53.050 -0.069 0.000 0.843 104 N CB 0.319 38.757 38.487 -0.083 0.000 1.024 104 N HN 0.726 nan 8.380 nan 0.000 0.501 105 K N 0.470 120.816 120.400 -0.091 0.000 2.207 105 K HA 0.481 4.801 4.320 -0.000 0.000 0.255 105 K C -0.753 175.754 176.600 -0.156 0.000 0.941 105 K CA -0.642 55.521 56.287 -0.206 0.000 0.825 105 K CB 2.232 34.562 32.500 -0.283 0.000 1.119 105 K HN -0.005 nan 8.250 nan 0.000 0.430 106 L N 3.470 124.534 121.223 -0.266 0.000 2.287 106 L HA 0.386 4.726 4.340 -0.000 0.000 0.287 106 L C -1.094 175.725 176.870 -0.085 0.000 1.022 106 L CA -0.758 54.044 54.840 -0.062 0.000 0.814 106 L CB 0.512 42.559 42.059 -0.019 0.000 1.217 106 L HN 0.502 nan 8.230 nan 0.000 0.420 107 Y N 2.925 123.341 120.300 0.192 0.000 2.335 107 Y HA 0.489 5.039 4.550 -0.000 0.000 0.339 107 Y C -0.064 176.050 175.900 0.357 0.000 0.987 107 Y CA -0.727 57.539 58.100 0.277 0.000 1.140 107 Y CB 1.599 40.233 38.460 0.290 0.000 1.173 107 Y HN 0.172 nan 8.280 nan 0.000 0.486 108 V N 5.735 125.903 119.914 0.424 0.000 2.444 108 V HA 0.302 4.421 4.120 -0.000 0.000 0.294 108 V C -0.804 175.369 176.094 0.131 0.000 1.022 108 V CA -0.818 61.657 62.300 0.291 0.000 0.850 108 V CB 1.648 33.604 31.823 0.221 0.000 0.992 108 V HN 0.501 nan 8.190 nan 0.000 0.426 109 L N 7.766 128.971 121.223 -0.030 0.000 2.272 109 L HA 0.818 5.158 4.340 -0.000 0.000 0.289 109 L C -0.306 176.395 176.870 -0.282 0.000 1.032 109 L CA 0.031 54.693 54.840 -0.297 0.000 0.810 109 L CB 1.518 43.081 42.059 -0.826 0.000 1.205 109 L HN 0.593 nan 8.230 nan 0.000 0.422 110 V N 2.101 121.844 119.914 -0.284 0.000 2.876 110 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 110 V C 0.332 176.205 176.094 -0.369 0.000 1.085 110 V CA -0.361 61.772 62.300 -0.279 0.000 0.945 110 V CB 1.118 32.820 31.823 -0.201 0.000 1.017 110 V HN 0.852 nan 8.190 nan 0.000 0.428 111 G N 0.986 109.577 108.800 -0.349 0.000 2.539 111 G HA2 0.512 4.472 3.960 -0.000 0.000 0.258 111 G HA3 0.512 4.472 3.960 -0.000 0.000 0.258 111 G C -0.336 174.343 174.900 -0.368 0.000 1.202 111 G CA -0.056 44.799 45.100 -0.407 0.000 0.851 111 G HN 1.228 nan 8.290 nan 0.000 0.556 112 S N -0.150 115.188 115.700 -0.604 0.000 2.594 112 S HA 0.658 5.128 4.470 -0.000 0.000 0.296 112 S C -1.567 172.689 174.600 -0.574 0.000 1.124 112 S CA -0.630 57.319 58.200 -0.418 0.000 1.011 112 S CB 0.606 63.579 63.200 -0.379 0.000 1.016 112 S HN 0.424 nan 8.310 nan 0.000 0.485 113 Y N 3.284 123.539 120.300 -0.074 0.000 2.446 113 Y HA 0.492 5.042 4.550 -0.000 0.000 0.345 113 Y C 1.174 177.075 175.900 0.001 0.000 0.984 113 Y CA -0.891 57.213 58.100 0.007 0.000 1.058 113 Y CB 1.679 40.174 38.460 0.058 0.000 1.220 113 Y HN 0.584 nan 8.280 nan 0.000 0.455 114 N N 0.207 118.997 118.700 0.150 0.000 2.333 114 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 114 N C 0.892 176.460 175.510 0.096 0.000 1.030 114 N CA 1.439 54.540 53.050 0.085 0.000 0.867 114 N CB 0.204 38.717 38.487 0.043 0.000 1.027 114 N HN 0.611 nan 8.380 nan 0.000 0.435 115 S N -1.447 114.322 115.700 0.114 0.000 2.760 115 S HA 0.117 4.587 4.470 -0.000 0.000 0.263 115 S C 0.155 174.806 174.600 0.084 0.000 1.007 115 S CA -0.556 57.695 58.200 0.085 0.000 1.358 115 S CB -0.482 62.751 63.200 0.055 0.000 1.228 115 S HN 0.157 nan 8.310 nan 0.000 0.684 116 S N 1.410 117.176 115.700 0.111 0.000 2.572 116 S HA 0.501 4.970 4.470 -0.000 0.000 0.279 116 S C 0.477 175.133 174.600 0.094 0.000 1.341 116 S CA -0.560 57.682 58.200 0.071 0.000 1.043 116 S CB 1.216 64.439 63.200 0.038 0.000 0.887 116 S HN 0.432 nan 8.310 nan 0.000 0.516 117 R N 0.408 120.968 120.500 0.101 0.000 2.476 117 R HA 0.207 4.546 4.340 -0.000 0.000 0.276 117 R C 0.316 176.743 176.300 0.211 0.000 0.941 117 R CA 0.226 56.425 56.100 0.164 0.000 1.088 117 R CB 0.614 31.007 30.300 0.154 0.000 1.216 117 R HN 0.846 nan 8.270 nan 0.000 0.533 118 S N -1.108 114.712 115.700 0.199 0.000 2.687 118 S HA 0.172 4.642 4.470 -0.000 0.000 0.283 118 S C -0.405 174.344 174.600 0.249 0.000 1.170 118 S CA -0.803 57.546 58.200 0.249 0.000 1.008 118 S CB 0.896 64.235 63.200 0.232 0.000 1.026 118 S HN 0.168 nan 8.310 nan 0.000 0.541 119 Y N 3.525 123.842 120.300 0.028 0.000 2.620 119 Y HA 0.059 4.609 4.550 -0.000 0.000 0.330 119 Y C 1.575 177.322 175.900 -0.256 0.000 1.186 119 Y CA -0.332 57.707 58.100 -0.102 0.000 1.467 119 Y CB 0.384 38.789 38.460 -0.092 0.000 1.262 119 Y HN 0.888 nan 8.280 nan 0.000 0.550 120 W N 4.155 124.788 121.300 -1.111 0.000 2.308 120 W HA -0.259 4.400 4.660 -0.000 0.000 0.301 120 W C 0.785 176.792 176.519 -0.855 0.000 1.220 120 W CA 1.993 58.576 57.345 -1.270 0.000 1.240 120 W CB -1.674 27.234 29.460 -0.921 0.000 1.142 120 W HN 0.511 nan 8.180 nan 0.000 0.521 121 T N 1.615 115.289 114.554 -1.467 0.000 2.962 121 T HA -0.176 4.174 4.350 -0.000 0.000 0.270 121 T C 2.000 176.506 174.700 -0.323 0.000 1.088 121 T CA 2.130 63.654 62.100 -0.959 0.000 1.127 121 T CB -0.419 68.147 68.868 -0.502 0.000 0.883 121 T HN 0.404 nan 8.240 nan 0.000 0.493 122 S N 0.275 115.908 115.700 -0.113 0.000 2.593 122 S HA 0.036 4.506 4.470 -0.000 0.000 0.217 122 S C 0.369 175.068 174.600 0.165 0.000 0.966 122 S CA -0.418 57.822 58.200 0.066 0.000 0.914 122 S CB -0.382 62.910 63.200 0.153 0.000 0.776 122 S HN 0.411 nan 8.310 nan 0.000 0.523 123 H N 1.366 120.403 119.070 -0.055 0.000 2.803 123 H HA 0.489 5.045 4.556 -0.000 0.000 0.330 123 H C 1.449 176.765 175.328 -0.020 0.000 1.057 123 H CA 0.041 56.084 56.048 -0.008 0.000 1.458 123 H CB 0.855 30.638 29.762 0.036 0.000 1.470 123 H HN 0.309 nan 8.280 nan 0.000 0.560 124 G N 2.219 111.079 108.800 0.100 0.000 2.939 124 G HA2 0.004 3.964 3.960 -0.000 0.000 0.210 124 G HA3 0.004 3.964 3.960 -0.000 0.000 0.210 124 G C -0.006 174.925 174.900 0.051 0.000 1.160 124 G CA 0.175 45.305 45.100 0.049 0.000 0.770 124 G HN 0.754 nan 8.290 nan 0.000 0.543 125 D N -2.196 118.251 120.400 0.080 0.000 2.664 125 D HA 0.474 5.114 4.640 -0.000 0.000 0.292 125 D C -0.308 176.076 176.300 0.139 0.000 1.214 125 D CA -0.548 53.502 54.000 0.083 0.000 0.932 125 D CB 1.440 42.275 40.800 0.059 0.000 1.420 125 D HN -0.054 nan 8.370 nan 0.000 0.471 126 A N 0.004 122.919 122.820 0.159 0.000 2.637 126 A HA 0.229 4.548 4.320 -0.000 0.000 0.293 126 A C 1.377 179.134 177.584 0.288 0.000 1.216 126 A CA -0.459 51.730 52.037 0.254 0.000 0.956 126 A CB -0.246 18.913 19.000 0.265 0.000 1.174 126 A HN 0.441 nan 8.150 nan 0.000 0.525 127 R N -0.405 120.206 120.500 0.186 0.000 2.189 127 R HA -0.081 4.259 4.340 -0.000 0.000 0.218 127 R C 0.758 177.140 176.300 0.136 0.000 1.074 127 R CA 1.388 57.570 56.100 0.137 0.000 0.991 127 R CB 0.065 30.414 30.300 0.082 0.000 0.883 127 R HN 0.476 nan 8.270 nan 0.000 0.457 128 D N -1.159 119.354 120.400 0.190 0.000 2.349 128 D HA -0.026 4.614 4.640 -0.000 0.000 0.214 128 D C -0.571 175.834 176.300 0.175 0.000 1.063 128 D CA -0.106 54.010 54.000 0.193 0.000 0.847 128 D CB 0.332 41.279 40.800 0.246 0.000 0.933 128 D HN 0.085 nan 8.370 nan 0.000 0.513 129 W N 0.723 121.970 121.300 -0.088 0.000 2.627 129 W HA 0.547 5.207 4.660 -0.000 0.000 0.339 129 W C -1.019 175.306 176.519 -0.324 0.000 1.058 129 W CA -0.639 56.467 57.345 -0.398 0.000 1.223 129 W CB 1.216 30.520 29.460 -0.259 0.000 1.389 129 W HN -0.303 nan 8.180 nan 0.000 0.541 130 D N 3.434 123.016 120.400 -1.364 0.000 2.596 130 D HA 0.403 5.043 4.640 -0.000 0.000 0.262 130 D C -1.956 173.290 176.300 -1.756 0.000 1.210 130 D CA -0.655 52.472 54.000 -1.455 0.000 0.873 130 D CB 2.261 42.637 40.800 -0.707 0.000 1.408 130 D HN 0.342 nan 8.370 nan 0.000 0.441 131 I N 1.859 121.627 120.570 -1.338 0.000 2.478 131 I HA 0.450 4.620 4.170 -0.000 0.000 0.287 131 I C -1.625 174.144 176.117 -0.580 0.000 1.042 131 I CA -0.361 60.345 61.300 -0.990 0.000 1.067 131 I CB 1.031 38.341 38.000 -1.149 0.000 1.233 131 I HN 0.319 nan 8.210 nan 0.000 0.431 132 L N 7.087 128.041 121.223 -0.448 0.000 2.354 132 L HA 0.648 4.988 4.340 -0.000 0.000 0.269 132 L C -1.232 175.526 176.870 -0.186 0.000 1.005 132 L CA -1.093 53.587 54.840 -0.266 0.000 0.819 132 L CB 2.000 43.923 42.059 -0.227 0.000 1.311 132 L HN 0.488 nan 8.230 nan 0.000 0.423 133 L N 2.166 123.349 121.223 -0.066 0.000 2.349 133 L HA 0.851 5.191 4.340 -0.000 0.000 0.278 133 L C -0.592 176.340 176.870 0.103 0.000 0.996 133 L CA -0.063 54.801 54.840 0.039 0.000 0.825 133 L CB 1.543 43.678 42.059 0.126 0.000 1.243 133 L HN 0.702 nan 8.230 nan 0.000 0.412 134 A N 4.653 127.556 122.820 0.138 0.000 2.350 134 A HA 0.846 5.166 4.320 -0.000 0.000 0.324 134 A C -1.378 176.355 177.584 0.249 0.000 1.118 134 A CA -0.580 51.569 52.037 0.186 0.000 0.783 134 A CB 1.718 20.821 19.000 0.172 0.000 1.236 134 A HN 0.485 nan 8.150 nan 0.000 0.457 135 V N 1.569 121.577 119.914 0.158 0.000 2.448 135 V HA 0.662 4.782 4.120 -0.000 0.000 0.295 135 V C 0.697 176.672 176.094 -0.197 0.000 1.025 135 V CA -0.184 62.067 62.300 -0.081 0.000 0.859 135 V CB 1.668 33.351 31.823 -0.234 0.000 0.988 135 V HN 1.154 nan 8.190 nan 0.000 0.431 136 G N 2.878 111.316 108.800 -0.603 0.000 2.372 136 G HA2 0.597 4.557 3.960 -0.000 0.000 0.323 136 G HA3 0.597 4.557 3.960 -0.000 0.000 0.323 136 G C -0.778 173.644 174.900 -0.798 0.000 1.152 136 G CA -0.333 43.971 45.100 -1.327 0.000 0.906 136 G HN 0.703 nan 8.290 nan 0.000 0.460 137 E N 1.995 121.823 120.200 -0.620 0.000 2.151 137 E HA 0.431 4.781 4.350 -0.000 0.000 0.275 137 E C -0.715 175.655 176.600 -0.383 0.000 0.936 137 E CA -0.582 55.577 56.400 -0.403 0.000 0.777 137 E CB 1.610 31.148 29.700 -0.270 0.000 1.108 137 E HN 0.199 nan 8.360 nan 0.000 0.401 138 V N 4.464 124.192 119.914 -0.310 0.000 2.383 138 V HA 0.302 4.422 4.120 -0.000 0.000 0.275 138 V C 0.182 176.161 176.094 -0.191 0.000 1.036 138 V CA -0.432 61.704 62.300 -0.274 0.000 0.889 138 V CB 1.132 32.817 31.823 -0.231 0.000 0.985 138 V HN 0.820 nan 8.190 nan 0.000 0.459 139 T N 2.473 116.920 114.554 -0.179 0.000 2.841 139 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 139 T C -0.695 173.945 174.700 -0.100 0.000 1.000 139 T CA -0.986 61.042 62.100 -0.121 0.000 0.977 139 T CB 1.865 70.670 68.868 -0.104 0.000 0.979 139 T HN 0.502 nan 8.240 nan 0.000 0.446 140 K N 1.620 121.976 120.400 -0.073 0.000 2.156 140 K HA 0.762 5.082 4.320 -0.000 0.000 0.250 140 K C -0.640 175.937 176.600 -0.039 0.000 0.955 140 K CA -0.906 55.349 56.287 -0.053 0.000 0.855 140 K CB 2.061 34.532 32.500 -0.048 0.000 1.101 140 K HN 0.635 nan 8.250 nan 0.000 0.434 141 S N -0.202 115.481 115.700 -0.029 0.000 2.564 141 S HA 0.242 4.712 4.470 -0.000 0.000 0.274 141 S C -0.035 174.553 174.600 -0.019 0.000 1.124 141 S CA -0.711 57.476 58.200 -0.022 0.000 0.869 141 S CB 1.772 64.961 63.200 -0.018 0.000 1.105 141 S HN 0.750 nan 8.310 nan 0.000 0.472 142 T N -1.305 113.239 114.554 -0.017 0.000 3.182 142 T HA 0.423 4.773 4.350 -0.000 0.000 0.277 142 T C 0.430 175.122 174.700 -0.013 0.000 1.013 142 T CA -0.093 61.997 62.100 -0.016 0.000 0.900 142 T CB 0.020 68.878 68.868 -0.017 0.000 1.098 142 T HN 0.646 nan 8.240 nan 0.000 0.543 143 A N 0.962 123.775 122.820 -0.012 0.000 2.618 143 A HA 0.570 4.890 4.320 -0.000 0.000 0.293 143 A C 1.534 179.113 177.584 -0.009 0.000 1.413 143 A CA 0.196 52.227 52.037 -0.010 0.000 1.074 143 A CB -1.439 17.555 19.000 -0.008 0.000 1.087 143 A HN 1.488 nan 8.150 nan 0.000 0.553 144 G N 0.350 109.145 108.800 -0.009 0.000 2.174 144 G HA2 0.300 4.260 3.960 -0.000 0.000 0.140 144 G HA3 0.300 4.260 3.960 -0.000 0.000 0.140 144 G C 1.266 176.160 174.900 -0.010 0.000 1.031 144 G CA 0.655 45.750 45.100 -0.009 0.000 0.728 144 G HN 2.357 nan 8.290 nan 0.000 0.496 145 G N -0.129 108.664 108.800 -0.011 0.000 2.284 145 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.261 145 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.261 145 G C 0.480 175.372 174.900 -0.014 0.000 0.997 145 G CA 1.550 46.643 45.100 -0.011 0.000 0.621 145 G HN 1.750 nan 8.290 nan 0.000 0.534 146 K N 0.883 121.274 120.400 -0.015 0.000 2.259 146 K HA 0.694 5.014 4.320 -0.000 0.000 0.252 146 K C -0.087 176.502 176.600 -0.019 0.000 0.936 146 K CA -1.198 55.078 56.287 -0.018 0.000 0.810 146 K CB 2.070 34.558 32.500 -0.019 0.000 1.143 146 K HN 0.093 nan 8.250 nan 0.000 0.427 147 I N 3.157 123.713 120.570 -0.023 0.000 2.529 147 I HA 0.099 4.269 4.170 -0.000 0.000 0.284 147 I C 0.742 176.847 176.117 -0.020 0.000 1.082 147 I CA 0.137 61.423 61.300 -0.024 0.000 1.406 147 I CB 0.559 38.541 38.000 -0.030 0.000 1.405 147 I HN 0.859 nan 8.210 nan 0.000 0.548 148 T N 2.325 116.873 114.554 -0.011 0.000 2.887 148 T HA 0.922 5.272 4.350 -0.000 0.000 0.292 148 T C -0.599 174.109 174.700 0.014 0.000 1.087 148 T CA -0.878 61.227 62.100 0.008 0.000 1.009 148 T CB 2.520 71.396 68.868 0.013 0.000 1.203 148 T HN 0.808 nan 8.240 nan 0.000 0.518 149 A N 0.830 123.684 122.820 0.058 0.000 2.572 149 A HA 0.905 5.225 4.320 -0.000 0.000 0.295 149 A C -0.395 177.208 177.584 0.031 0.000 1.072 149 A CA -0.597 51.449 52.037 0.016 0.000 0.691 149 A CB 1.495 20.494 19.000 -0.002 0.000 1.291 149 A HN 1.820 nan 8.150 nan 0.000 0.404 150 S N 0.209 115.831 115.700 -0.129 0.000 2.569 150 S HA 0.852 5.321 4.470 -0.000 0.000 0.280 150 S C -1.026 173.352 174.600 -0.370 0.000 1.111 150 S CA -0.603 57.487 58.200 -0.184 0.000 0.887 150 S CB 1.243 64.415 63.200 -0.048 0.000 1.095 150 S HN 0.764 nan 8.310 nan 0.000 0.476 151 I N 1.457 121.775 120.570 -0.419 0.000 2.447 151 I HA 0.467 4.637 4.170 -0.000 0.000 0.287 151 I C -0.859 175.057 176.117 -0.336 0.000 1.023 151 I CA -0.748 60.273 61.300 -0.466 0.000 1.083 151 I CB 2.158 39.827 38.000 -0.551 0.000 1.245 151 I HN 0.576 nan 8.210 nan 0.000 0.434 152 K N 6.399 126.568 120.400 -0.385 0.000 2.293 152 K HA 0.351 4.671 4.320 -0.000 0.000 0.267 152 K C -1.772 174.619 176.600 -0.348 0.000 1.010 152 K CA -0.254 55.893 56.287 -0.232 0.000 0.875 152 K CB 0.539 32.950 32.500 -0.148 0.000 1.106 152 K HN 0.338 nan 8.250 nan 0.000 0.450 153 W N 3.184 124.464 121.300 -0.032 0.000 2.338 153 W HA 0.468 5.128 4.660 -0.000 0.000 0.307 153 W C 1.018 177.522 176.519 -0.024 0.000 1.167 153 W CA -0.536 56.792 57.345 -0.028 0.000 1.208 153 W CB 1.538 30.994 29.460 -0.007 0.000 1.228 153 W HN 0.778 nan 8.180 nan 0.000 0.499 154 G N 1.433 110.335 108.800 0.170 0.000 2.562 154 G HA2 0.348 4.307 3.960 -0.000 0.000 0.275 154 G HA3 0.348 4.307 3.960 -0.000 0.000 0.275 154 G C -0.340 174.637 174.900 0.129 0.000 1.196 154 G CA -0.700 44.463 45.100 0.105 0.000 0.908 154 G HN 0.392 nan 8.290 nan 0.000 0.524 155 S N 1.150 116.897 115.700 0.078 0.000 2.576 155 S HA 0.340 4.809 4.470 -0.000 0.000 0.276 155 S C -1.999 172.635 174.600 0.056 0.000 1.339 155 S CA -0.539 57.695 58.200 0.056 0.000 1.039 155 S CB 1.082 64.302 63.200 0.032 0.000 0.902 155 S HN 0.415 nan 8.310 nan 0.000 0.516 156 P HA 0.283 nan 4.420 nan 0.000 0.271 156 P C -1.207 176.101 177.300 0.013 0.000 1.218 156 P CA -0.364 62.747 63.100 0.019 0.000 0.780 156 P CB 0.430 32.111 31.700 -0.031 0.000 0.901 157 V N 1.694 121.626 119.914 0.030 0.000 2.555 157 V HA 0.333 4.453 4.120 -0.000 0.000 0.302 157 V C 0.335 176.432 176.094 0.005 0.000 1.038 157 V CA -0.616 61.708 62.300 0.041 0.000 0.887 157 V CB 1.798 33.688 31.823 0.112 0.000 0.991 157 V HN 0.609 nan 8.190 nan 0.000 0.434 158 S N 4.189 119.873 115.700 -0.027 0.000 2.548 158 S HA 0.388 4.858 4.470 -0.000 0.000 0.277 158 S C 0.509 175.116 174.600 0.012 0.000 1.315 158 S CA -0.423 57.725 58.200 -0.085 0.000 1.050 158 S CB 0.318 63.439 63.200 -0.131 0.000 0.918 158 S HN 0.611 nan 8.310 nan 0.000 0.497 159 L N 4.890 126.123 121.223 0.017 0.000 2.700 159 L HA 0.274 4.614 4.340 -0.000 0.000 0.234 159 L C 2.165 179.201 176.870 0.277 0.000 1.156 159 L CA -0.094 54.912 54.840 0.277 0.000 0.946 159 L CB -0.239 42.001 42.059 0.301 0.000 1.216 159 L HN 0.732 nan 8.230 nan 0.000 0.493 160 K N 1.799 122.233 120.400 0.057 0.000 2.152 160 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 160 K C 1.840 178.572 176.600 0.219 0.000 1.048 160 K CA 1.879 58.253 56.287 0.145 0.000 0.933 160 K CB 0.157 32.641 32.500 -0.026 0.000 0.721 160 K HN 0.554 nan 8.250 nan 0.000 0.447 161 E N -0.591 119.591 120.200 -0.030 0.000 2.333 161 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 161 E C 0.888 177.395 176.600 -0.155 0.000 1.007 161 E CA 0.919 57.210 56.400 -0.183 0.000 0.845 161 E CB -0.259 29.180 29.700 -0.435 0.000 0.766 161 E HN 0.395 nan 8.360 nan 0.000 0.507 162 F N 0.012 120.210 119.950 0.413 0.000 2.693 162 F HA 0.224 4.751 4.527 -0.000 0.000 0.303 162 F C 0.345 176.557 175.800 0.687 0.000 1.097 162 F CA -0.678 57.620 58.000 0.497 0.000 1.330 162 F CB 0.381 39.712 39.000 0.551 0.000 1.067 162 F HN -0.037 nan 8.300 nan 0.000 0.565 163 F N 5.279 125.548 119.950 0.531 0.000 2.334 163 F HA 0.430 4.957 4.527 -0.000 0.000 0.367 163 F C -2.106 173.831 175.800 0.228 0.000 1.115 163 F CA -4.357 53.899 58.000 0.428 0.000 1.116 163 F CB 0.089 39.411 39.000 0.538 0.000 1.230 163 F HN -0.192 nan 8.300 nan 0.000 0.484 164 P HA 0.152 nan 4.420 nan 0.000 0.271 164 P C 0.012 177.092 177.300 -0.367 0.000 1.218 164 P CA -0.079 62.940 63.100 -0.135 0.000 0.780 164 P CB 1.230 32.879 31.700 -0.085 0.000 0.901 165 A N 2.716 125.421 122.820 -0.191 0.000 2.015 165 A HA -0.089 4.230 4.320 -0.000 0.000 0.219 165 A C 0.854 178.337 177.584 -0.169 0.000 1.163 165 A CA 1.224 53.164 52.037 -0.162 0.000 0.646 165 A CB -0.390 18.597 19.000 -0.022 0.000 0.806 165 A HN 0.704 nan 8.150 nan 0.000 0.448 166 E N -1.705 118.380 120.200 -0.192 0.000 2.343 166 E HA 0.703 5.053 4.350 -0.000 0.000 0.270 166 E C -1.356 175.113 176.600 -0.219 0.000 0.895 166 E CA -0.507 55.747 56.400 -0.242 0.000 0.767 166 E CB 1.934 31.479 29.700 -0.258 0.000 1.248 166 E HN 0.288 nan 8.360 nan 0.000 0.440 167 M N 1.849 121.320 119.600 -0.215 0.000 2.324 167 M HA 0.222 4.702 4.480 -0.000 0.000 0.288 167 M C -0.497 175.699 176.300 -0.174 0.000 1.097 167 M CA -0.299 54.901 55.300 -0.167 0.000 0.928 167 M CB 2.259 34.771 32.600 -0.147 0.000 1.648 167 M HN 0.572 nan 8.290 nan 0.000 0.460 168 E N 0.780 120.897 120.200 -0.138 0.000 3.401 168 E HA -0.252 4.098 4.350 -0.000 0.000 0.352 168 E C 0.670 177.184 176.600 -0.143 0.000 1.523 168 E CA 1.766 58.085 56.400 -0.135 0.000 1.794 168 E CB -1.037 28.559 29.700 -0.172 0.000 1.792 168 E HN 0.972 nan 8.360 nan 0.000 0.471 169 G N 0.692 109.413 108.800 -0.131 0.000 4.178 169 G HA2 0.502 4.462 3.960 -0.000 0.000 0.287 169 G HA3 0.502 4.462 3.960 -0.000 0.000 0.287 169 G C -0.427 174.401 174.900 -0.121 0.000 1.293 169 G CA 0.102 45.134 45.100 -0.113 0.000 1.393 169 G HN 0.184 nan 8.290 nan 0.000 0.623 170 M N -0.483 118.999 119.600 -0.196 0.000 2.644 170 M HA 0.440 4.920 4.480 -0.000 0.000 0.273 170 M C -1.412 174.701 176.300 -0.313 0.000 1.253 170 M CA -0.975 54.229 55.300 -0.159 0.000 0.852 170 M CB 1.970 34.517 32.600 -0.087 0.000 1.708 170 M HN -0.060 nan 8.290 nan 0.000 0.471 171 H N 0.855 119.900 119.070 -0.043 0.000 2.466 171 H HA 0.449 5.004 4.556 -0.000 0.000 0.338 171 H C -0.506 174.792 175.328 -0.050 0.000 1.091 171 H CA -0.432 55.580 56.048 -0.060 0.000 1.207 171 H CB 1.819 31.552 29.762 -0.049 0.000 1.466 171 H HN 0.808 nan 8.280 nan 0.000 0.493 172 T N -0.121 114.408 114.554 -0.042 0.000 2.868 172 T HA 0.045 4.395 4.350 -0.000 0.000 0.292 172 T C 0.855 175.561 174.700 0.009 0.000 1.028 172 T CA -0.389 61.668 62.100 -0.071 0.000 1.059 172 T CB 1.734 70.290 68.868 -0.519 0.000 0.991 172 T HN 0.558 nan 8.240 nan 0.000 0.531 173 N N 0.549 119.316 118.700 0.112 0.000 2.905 173 N HA 0.191 4.931 4.740 -0.000 0.000 0.237 173 N C -0.194 175.315 175.510 -0.003 0.000 1.017 173 N CA 0.193 53.284 53.050 0.069 0.000 1.127 173 N CB 0.792 39.287 38.487 0.013 0.000 1.608 173 N HN 0.798 nan 8.380 nan 0.000 0.522 174 Q N -1.211 118.504 119.800 -0.141 0.000 2.553 174 Q HA 0.452 4.792 4.340 -0.000 0.000 0.293 174 Q C -1.633 174.159 176.000 -0.347 0.000 1.038 174 Q CA -0.960 54.316 55.803 -0.878 0.000 0.777 174 Q CB 2.884 31.081 28.738 -0.903 0.000 1.487 174 Q HN 0.291 nan 8.270 nan 0.000 0.426 175 F N -1.107 118.384 119.950 -0.764 0.000 2.668 175 F HA 0.832 5.359 4.527 -0.000 0.000 0.309 175 F C -2.196 173.430 175.800 -0.289 0.000 1.117 175 F CA -0.997 56.789 58.000 -0.358 0.000 0.951 175 F CB 1.346 40.117 39.000 -0.382 0.000 1.323 175 F HN 0.397 nan 8.300 nan 0.000 0.451 176 L N 1.630 122.615 121.223 -0.397 0.000 2.415 176 L HA 0.749 5.088 4.340 -0.000 0.000 0.256 176 L C 0.368 177.071 176.870 -0.277 0.000 1.010 176 L CA -1.221 53.304 54.840 -0.525 0.000 0.826 176 L CB 2.153 43.763 42.059 -0.748 0.000 1.405 176 L HN 1.061 nan 8.230 nan 0.000 0.410 177 G N -0.487 108.132 108.800 -0.302 0.000 2.667 177 G HA2 0.342 4.302 3.960 -0.000 0.000 0.250 177 G HA3 0.342 4.302 3.960 -0.000 0.000 0.250 177 G C 0.804 175.660 174.900 -0.073 0.000 1.212 177 G CA 0.221 45.225 45.100 -0.161 0.000 0.874 177 G HN 0.856 nan 8.290 nan 0.000 0.561 178 G N -1.145 107.681 108.800 0.042 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 0.825 175.734 174.900 0.015 0.000 1.173 178 G CA 1.172 46.307 45.100 0.058 0.000 0.779 178 G HN 2.087 nan 8.290 nan 0.000 0.540 179 A N -2.255 120.564 122.820 -0.002 0.000 4.772 179 A HA 0.450 4.770 4.320 -0.000 0.000 0.553 179 A C 1.423 179.034 177.584 0.046 0.000 1.107 179 A CA 0.717 52.747 52.037 -0.012 0.000 0.419 179 A CB -1.109 17.846 19.000 -0.075 0.000 3.151 179 A HN 2.437 nan 8.150 nan 0.000 0.491 180 G N -2.095 106.734 108.800 0.049 0.000 2.528 180 G HA2 0.243 4.203 3.960 -0.000 0.000 0.262 180 G HA3 0.243 4.203 3.960 -0.000 0.000 0.262 180 G C 0.249 175.234 174.900 0.142 0.000 1.200 180 G CA 0.614 45.766 45.100 0.088 0.000 0.951 180 G HN 2.378 nan 8.290 nan 0.000 0.566 181 V N 0.988 120.998 119.914 0.160 0.000 2.487 181 V HA 0.773 4.893 4.120 -0.000 0.000 0.298 181 V C 0.895 177.102 176.094 0.187 0.000 1.028 181 V CA 0.288 62.697 62.300 0.181 0.000 0.860 181 V CB 0.750 32.671 31.823 0.164 0.000 0.991 181 V HN 1.878 nan 8.190 nan 0.000 0.427 182 A N 5.517 128.453 122.820 0.193 0.000 2.806 182 A HA 1.010 5.330 4.320 -0.000 0.000 0.254 182 A C -0.293 177.330 177.584 0.066 0.000 1.437 182 A CA -0.585 51.541 52.037 0.148 0.000 0.903 182 A CB 1.039 20.138 19.000 0.164 0.000 1.609 182 A HN 1.055 nan 8.150 nan 0.000 0.505 183 I N -3.484 117.086 120.570 0.001 0.000 3.174 183 I HA 0.725 4.895 4.170 -0.000 0.000 0.313 183 I C -1.300 174.776 176.117 -0.068 0.000 1.155 183 I CA -1.162 60.131 61.300 -0.010 0.000 0.977 183 I CB 1.971 39.979 38.000 0.014 0.000 1.248 183 I HN 0.252 nan 8.210 nan 0.000 0.453 184 V N 2.915 122.798 119.914 -0.051 0.000 2.394 184 V HA 0.668 4.788 4.120 -0.000 0.000 0.282 184 V C 0.828 176.887 176.094 -0.057 0.000 1.031 184 V CA -0.302 61.951 62.300 -0.077 0.000 0.881 184 V CB 1.018 32.803 31.823 -0.063 0.000 0.982 184 V HN 0.932 nan 8.190 nan 0.000 0.451 185 A N 3.681 126.457 122.820 -0.073 0.000 2.313 185 A HA 0.443 4.763 4.320 -0.000 0.000 0.261 185 A C 1.492 179.040 177.584 -0.061 0.000 1.090 185 A CA 0.296 52.294 52.037 -0.065 0.000 0.807 185 A CB 0.346 19.296 19.000 -0.085 0.000 1.055 185 A HN 1.171 nan 8.150 nan 0.000 0.492 186 S N 0.279 115.945 115.700 -0.056 0.000 2.507 186 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 186 S C 0.948 175.514 174.600 -0.057 0.000 0.988 186 S CA 1.175 59.344 58.200 -0.052 0.000 0.944 186 S CB -0.524 62.645 63.200 -0.052 0.000 0.762 186 S HN 0.891 nan 8.310 nan 0.000 0.526 187 N N 0.952 119.612 118.700 -0.067 0.000 2.322 187 N HA 0.243 4.983 4.740 -0.000 0.000 0.194 187 N C 1.215 176.681 175.510 -0.073 0.000 1.126 187 N CA 0.589 53.599 53.050 -0.067 0.000 0.845 187 N CB -0.314 38.130 38.487 -0.072 0.000 0.976 187 N HN 0.546 nan 8.380 nan 0.000 0.475 188 G N -0.202 108.552 108.800 -0.077 0.000 2.217 188 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.246 188 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.246 188 G C -0.220 174.605 174.900 -0.125 0.000 0.990 188 G CA -0.064 44.982 45.100 -0.090 0.000 0.627 188 G HN 0.481 nan 8.290 nan 0.000 0.522 189 N N 0.746 119.372 118.700 -0.123 0.000 2.454 189 N HA 0.392 5.131 4.740 -0.000 0.000 0.254 189 N C 0.733 176.133 175.510 -0.183 0.000 1.228 189 N CA 0.121 53.082 53.050 -0.148 0.000 0.900 189 N CB 0.463 38.895 38.487 -0.093 0.000 1.089 189 N HN 0.401 nan 8.380 nan 0.000 0.449 190 L N 1.539 122.591 121.223 -0.284 0.000 2.319 190 L HA 0.299 4.639 4.340 -0.000 0.000 0.280 190 L C -0.249 176.532 176.870 -0.149 0.000 1.099 190 L CA -0.553 54.108 54.840 -0.299 0.000 0.828 190 L CB 0.584 42.376 42.059 -0.446 0.000 1.150 190 L HN 0.094 nan 8.230 nan 0.000 0.442 191 V N 4.291 124.131 119.914 -0.123 0.000 2.409 191 V HA 0.318 4.437 4.120 -0.000 0.000 0.290 191 V C -0.818 175.299 176.094 0.039 0.000 1.017 191 V CA -0.539 61.778 62.300 0.028 0.000 0.841 191 V CB 1.237 33.069 31.823 0.014 0.000 1.003 191 V HN 0.439 nan 8.190 nan 0.000 0.426 192 Y N 6.494 126.988 120.300 0.323 0.000 2.342 192 Y HA 0.448 4.998 4.550 -0.000 0.000 0.338 192 Y C -2.057 174.040 175.900 0.329 0.000 0.965 192 Y CA -2.688 55.599 58.100 0.311 0.000 1.159 192 Y CB 2.388 41.064 38.460 0.361 0.000 1.157 192 Y HN 0.436 nan 8.280 nan 0.000 0.486 193 P HA 0.104 nan 4.420 nan 0.000 0.276 193 P C -0.883 176.647 177.300 0.383 0.000 1.235 193 P CA -0.006 63.336 63.100 0.403 0.000 0.772 193 P CB 1.398 33.299 31.700 0.334 0.000 0.871 194 V N 1.255 121.402 119.914 0.388 0.000 3.001 194 V HA 0.608 4.728 4.120 -0.000 0.000 0.314 194 V C -0.416 175.827 176.094 0.248 0.000 1.099 194 V CA -1.149 61.330 62.300 0.299 0.000 0.989 194 V CB 1.830 33.865 31.823 0.353 0.000 1.040 194 V HN 0.563 nan 8.190 nan 0.000 0.434 195 Q N 1.701 121.608 119.800 0.178 0.000 2.271 195 Q HA 0.844 5.184 4.340 -0.000 0.000 0.258 195 Q C -1.261 174.834 176.000 0.158 0.000 0.936 195 Q CA -0.789 55.112 55.803 0.163 0.000 0.909 195 Q CB 2.123 31.010 28.738 0.248 0.000 1.253 195 Q HN 0.625 nan 8.270 nan 0.000 0.440 196 V N 1.611 121.435 119.914 -0.149 0.000 2.735 196 V HA 0.563 4.683 4.120 -0.000 0.000 0.310 196 V C -0.089 175.687 176.094 -0.530 0.000 1.061 196 V CA -0.732 61.381 62.300 -0.312 0.000 0.913 196 V CB 2.058 33.484 31.823 -0.662 0.000 1.005 196 V HN 1.024 nan 8.190 nan 0.000 0.428 197 T N 0.464 114.914 114.554 -0.175 0.000 2.918 197 T HA 0.681 5.031 4.350 -0.000 0.000 0.286 197 T C -0.429 174.328 174.700 0.095 0.000 1.026 197 T CA -0.836 61.186 62.100 -0.129 0.000 1.031 197 T CB 1.902 70.609 68.868 -0.268 0.000 1.046 197 T HN 0.782 nan 8.240 nan 0.000 0.479 198 N N 0.418 119.233 118.700 0.192 0.000 2.741 198 N HA 0.399 5.139 4.740 -0.000 0.000 0.310 198 N C 0.560 176.106 175.510 0.059 0.000 1.295 198 N CA -1.207 51.950 53.050 0.178 0.000 0.893 198 N CB 0.532 39.149 38.487 0.216 0.000 1.247 198 N HN 0.315 nan 8.380 nan 0.000 0.596 199 K N -0.075 120.358 120.400 0.055 0.000 2.442 199 K HA 0.037 4.357 4.320 -0.000 0.000 0.198 199 K C 0.405 176.998 176.600 -0.012 0.000 1.042 199 K CA 0.685 56.985 56.287 0.021 0.000 0.958 199 K CB -0.128 32.389 32.500 0.027 0.000 0.766 199 K HN 0.572 nan 8.250 nan 0.000 0.474 200 K N 0.671 121.052 120.400 -0.033 0.000 2.417 200 K HA 0.067 4.387 4.320 -0.000 0.000 0.196 200 K C -0.130 176.421 176.600 -0.081 0.000 1.023 200 K CA -0.019 56.225 56.287 -0.072 0.000 1.122 200 K CB 0.249 32.674 32.500 -0.125 0.000 0.850 200 K HN 0.041 nan 8.250 nan 0.000 0.521 201 K N 0.538 120.899 120.400 -0.066 0.000 3.281 201 K HA -0.218 4.102 4.320 -0.000 0.000 0.295 201 K C -0.629 175.914 176.600 -0.096 0.000 1.233 201 K CA 0.819 57.053 56.287 -0.088 0.000 0.866 201 K CB -1.504 30.952 32.500 -0.073 0.000 1.265 201 K HN 0.370 nan 8.250 nan 0.000 0.482 202 Q N 0.587 120.336 119.800 -0.085 0.000 2.259 202 Q HA 0.508 4.848 4.340 -0.000 0.000 0.246 202 Q C -0.181 175.893 176.000 0.123 0.000 0.920 202 Q CA -0.511 55.264 55.803 -0.046 0.000 0.895 202 Q CB 2.318 30.867 28.738 -0.315 0.000 1.220 202 Q HN 0.110 nan 8.270 nan 0.000 0.439 203 V N 3.446 123.467 119.914 0.179 0.000 2.667 203 V HA 0.780 4.900 4.120 -0.000 0.000 0.308 203 V C -1.367 174.964 176.094 0.395 0.000 1.048 203 V CA -0.408 61.974 62.300 0.137 0.000 0.928 203 V CB 0.904 32.746 31.823 0.031 0.000 1.004 203 V HN 0.714 nan 8.190 nan 0.000 0.444 204 F N 2.097 122.155 119.950 0.180 0.000 2.713 204 F HA 0.783 5.310 4.527 -0.000 0.000 0.311 204 F C -0.573 175.267 175.800 0.067 0.000 1.141 204 F CA -0.875 57.175 58.000 0.085 0.000 0.939 204 F CB 1.271 40.255 39.000 -0.026 0.000 1.325 204 F HN 0.284 nan 8.300 nan 0.000 0.453 205 S N 1.489 117.260 115.700 0.118 0.000 2.565 205 S HA 0.723 5.193 4.470 -0.000 0.000 0.290 205 S C -0.791 173.837 174.600 0.048 0.000 1.150 205 S CA -0.901 57.374 58.200 0.124 0.000 1.058 205 S CB 1.468 64.830 63.200 0.270 0.000 1.032 205 S HN 0.461 nan 8.310 nan 0.000 0.510 206 K N 1.119 121.721 120.400 0.337 0.000 2.466 206 K HA 0.517 4.837 4.320 -0.000 0.000 0.260 206 K C -1.249 175.798 176.600 0.744 0.000 1.011 206 K CA -0.789 55.813 56.287 0.524 0.000 0.871 206 K CB 1.314 34.136 32.500 0.537 0.000 1.404 206 K HN 0.366 nan 8.250 nan 0.000 0.450 207 I N 1.767 122.804 120.570 0.778 0.000 2.336 207 I HA 0.338 4.507 4.170 -0.000 0.000 0.292 207 I C -0.446 176.025 176.117 0.590 0.000 0.991 207 I CA -0.570 61.079 61.300 0.582 0.000 1.227 207 I CB 0.342 38.584 38.000 0.404 0.000 1.366 207 I HN 0.473 nan 8.210 nan 0.000 0.466 208 F N 9.448 129.578 119.950 0.300 0.000 2.403 208 F HA 0.528 5.055 4.527 -0.000 0.000 0.355 208 F C -0.951 175.104 175.800 0.425 0.000 1.119 208 F CA -0.639 57.387 58.000 0.044 0.000 1.007 208 F CB 0.831 39.747 39.000 -0.140 0.000 1.194 208 F HN 0.441 nan 8.300 nan 0.000 0.443 209 Y N 2.417 122.652 120.300 -0.108 0.000 2.609 209 Y HA 0.761 5.311 4.550 -0.000 0.000 0.342 209 Y C -1.387 174.154 175.900 -0.598 0.000 1.058 209 Y CA -1.792 56.208 58.100 -0.166 0.000 1.055 209 Y CB 1.418 39.803 38.460 -0.126 0.000 1.292 209 Y HN 0.359 nan 8.280 nan 0.000 0.476 210 S N 0.227 115.420 115.700 -0.844 0.000 2.557 210 S HA 0.394 4.864 4.470 -0.000 0.000 0.291 210 S C -0.559 173.678 174.600 -0.605 0.000 1.116 210 S CA -0.617 56.864 58.200 -1.198 0.000 0.992 210 S CB 1.323 63.237 63.200 -2.143 0.000 1.028 210 S HN 0.849 nan 8.310 nan 0.000 0.484 211 E N 1.728 121.653 120.200 -0.459 0.000 2.474 211 E HA 0.073 4.423 4.350 -0.000 0.000 0.195 211 E C -0.493 175.951 176.600 -0.259 0.000 1.039 211 E CA 0.190 56.438 56.400 -0.252 0.000 0.881 211 E CB 0.278 29.889 29.700 -0.149 0.000 0.970 211 E HN 0.734 nan 8.360 nan 0.000 0.486 212 D N 0.006 120.196 120.400 -0.350 0.000 2.891 212 D HA 0.024 4.663 4.640 -0.000 0.000 0.332 212 D C -0.435 175.719 176.300 -0.243 0.000 1.369 212 D CA -0.351 53.499 54.000 -0.251 0.000 0.827 212 D CB 0.054 40.728 40.800 -0.210 0.000 1.141 212 D HN -0.182 nan 8.370 nan 0.000 0.464 213 E N -0.274 119.755 120.200 -0.285 0.000 2.791 213 E HA -0.195 4.155 4.350 -0.000 0.000 0.271 213 E C 1.156 177.645 176.600 -0.184 0.000 1.044 213 E CA 1.045 57.313 56.400 -0.220 0.000 0.814 213 E CB -2.159 27.514 29.700 -0.044 0.000 1.400 213 E HN 0.883 nan 8.360 nan 0.000 0.423 214 G N -0.695 107.857 108.800 -0.413 0.000 2.176 214 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.232 214 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.232 214 G C 0.991 175.910 174.900 0.032 0.000 0.986 214 G CA 0.532 45.533 45.100 -0.165 0.000 0.643 214 G HN 0.178 nan 8.290 nan 0.000 0.522 215 K N 0.681 121.005 120.400 -0.126 0.000 2.025 215 K HA 0.092 4.412 4.320 -0.000 0.000 0.207 215 K C 1.657 178.227 176.600 -0.050 0.000 1.049 215 K CA 1.870 58.158 56.287 0.002 0.000 0.933 215 K CB -0.670 31.822 32.500 -0.015 0.000 0.714 215 K HN 0.907 nan 8.250 nan 0.000 0.438 216 T N -2.734 111.556 114.554 -0.441 0.000 2.916 216 T HA 0.601 4.951 4.350 -0.000 0.000 0.292 216 T C -1.063 172.844 174.700 -1.322 0.000 1.055 216 T CA -0.947 60.651 62.100 -0.836 0.000 1.009 216 T CB 1.583 70.209 68.868 -0.403 0.000 1.118 216 T HN 0.101 nan 8.240 nan 0.000 0.497 217 W N 0.438 120.807 121.300 -1.553 0.000 2.936 217 W HA 0.723 5.383 4.660 -0.000 0.000 0.338 217 W C -0.247 175.815 176.519 -0.762 0.000 1.121 217 W CA -0.797 55.868 57.345 -1.132 0.000 1.209 217 W CB 2.218 30.945 29.460 -1.222 0.000 1.420 217 W HN 0.680 nan 8.180 nan 0.000 0.516 218 K N 1.253 121.263 120.400 -0.650 0.000 2.443 218 K HA 0.656 4.976 4.320 -0.000 0.000 0.251 218 K C -1.573 174.851 176.600 -0.295 0.000 0.972 218 K CA -1.035 55.003 56.287 -0.415 0.000 0.833 218 K CB 2.239 34.317 32.500 -0.704 0.000 1.317 218 K HN 0.203 nan 8.250 nan 0.000 0.441 219 F N 0.395 120.445 119.950 0.167 0.000 2.443 219 F HA 0.362 4.889 4.527 -0.000 0.000 0.335 219 F C 1.069 177.102 175.800 0.389 0.000 1.104 219 F CA -0.369 57.840 58.000 0.348 0.000 1.013 219 F CB 1.757 40.937 39.000 0.301 0.000 1.136 219 F HN 0.590 nan 8.300 nan 0.000 0.470 220 G N 2.679 111.881 108.800 0.670 0.000 2.491 220 G HA2 0.093 4.053 3.960 -0.000 0.000 0.242 220 G HA3 0.093 4.053 3.960 -0.000 0.000 0.242 220 G C 0.668 175.820 174.900 0.420 0.000 1.266 220 G CA -0.441 44.974 45.100 0.524 0.000 0.844 220 G HN 0.760 nan 8.290 nan 0.000 0.571 221 K N 1.395 121.973 120.400 0.297 0.000 2.148 221 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 221 K C 1.803 178.470 176.600 0.111 0.000 1.050 221 K CA 0.797 57.196 56.287 0.186 0.000 0.942 221 K CB -0.003 32.576 32.500 0.132 0.000 0.724 221 K HN 0.522 nan 8.250 nan 0.000 0.446 222 G N 1.420 110.318 108.800 0.162 0.000 2.588 222 G HA2 0.328 4.288 3.960 -0.000 0.000 0.281 222 G HA3 0.328 4.288 3.960 -0.000 0.000 0.281 222 G C -0.319 174.304 174.900 -0.461 0.000 1.236 222 G CA -0.475 44.598 45.100 -0.045 0.000 0.969 222 G HN 0.307 nan 8.290 nan 0.000 0.504 223 R N -2.252 117.635 120.500 -1.023 0.000 2.747 223 R HA 0.612 4.952 4.340 -0.000 0.000 0.272 223 R C -0.148 175.184 176.300 -1.613 0.000 1.032 223 R CA -0.470 54.776 56.100 -1.424 0.000 0.896 223 R CB 0.617 30.509 30.300 -0.679 0.000 1.253 223 R HN 0.722 nan 8.270 nan 0.000 0.461 224 S N 0.515 115.349 115.700 -1.443 0.000 2.641 224 S HA 0.637 5.107 4.470 -0.000 0.000 0.261 224 S C 0.611 174.881 174.600 -0.550 0.000 1.257 224 S CA -0.387 57.215 58.200 -0.996 0.000 0.983 224 S CB 0.819 63.726 63.200 -0.488 0.000 0.990 224 S HN 0.850 nan 8.310 nan 0.000 0.572 225 A N 0.095 122.783 122.820 -0.220 0.000 2.386 225 A HA 0.506 4.825 4.320 -0.000 0.000 0.246 225 A C -0.038 177.467 177.584 -0.132 0.000 1.089 225 A CA -0.607 51.326 52.037 -0.173 0.000 0.790 225 A CB -0.595 18.450 19.000 0.076 0.000 1.042 225 A HN 0.680 nan 8.150 nan 0.000 0.497 226 F N 0.040 120.021 119.950 0.050 0.000 2.506 226 F HA 0.401 4.928 4.527 -0.000 0.000 0.351 226 F C 1.699 177.572 175.800 0.121 0.000 1.136 226 F CA 1.505 59.565 58.000 0.100 0.000 1.298 226 F CB 0.654 39.688 39.000 0.057 0.000 1.145 226 F HN 0.902 nan 8.300 nan 0.000 0.593 227 G N 0.649 109.659 108.800 0.348 0.000 2.176 227 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.232 227 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.232 227 G C -0.423 174.608 174.900 0.219 0.000 0.986 227 G CA -0.363 44.883 45.100 0.243 0.000 0.643 227 G HN 0.732 nan 8.290 nan 0.000 0.522 228 C N 2.894 122.333 119.300 0.231 0.000 2.281 228 C HA 0.765 5.225 4.460 -0.000 0.000 0.336 228 C C 1.123 176.245 174.990 0.220 0.000 1.217 228 C CA 0.064 59.219 59.018 0.227 0.000 1.730 228 C CB -0.217 27.679 27.740 0.259 0.000 2.338 228 C HN 0.850 nan 8.230 nan 0.000 0.521 229 S N 1.310 117.138 115.700 0.213 0.000 2.798 229 S HA 0.579 5.049 4.470 -0.000 0.000 0.312 229 S C -0.256 174.465 174.600 0.202 0.000 1.122 229 S CA -0.591 57.741 58.200 0.220 0.000 0.949 229 S CB 0.308 63.654 63.200 0.244 0.000 1.235 229 S HN 0.724 nan 8.310 nan 0.000 0.552 230 E N 1.707 122.019 120.200 0.186 0.000 2.106 230 E HA -0.135 4.215 4.350 -0.000 0.000 0.175 230 E C -2.236 174.451 176.600 0.145 0.000 1.448 230 E CA 0.207 56.682 56.400 0.125 0.000 0.672 230 E CB -1.029 28.706 29.700 0.058 0.000 1.057 230 E HN 0.450 nan 8.360 nan 0.000 0.321 231 P HA 0.123 nan 4.420 nan 0.000 0.278 231 P C -0.601 176.834 177.300 0.224 0.000 1.238 231 P CA -0.121 63.121 63.100 0.237 0.000 0.794 231 P CB 1.605 33.494 31.700 0.315 0.000 0.955 232 V N 1.762 121.819 119.914 0.238 0.000 2.656 232 V HA 0.784 4.904 4.120 -0.000 0.000 0.307 232 V C -0.957 175.358 176.094 0.369 0.000 1.051 232 V CA -0.735 61.733 62.300 0.279 0.000 0.893 232 V CB 1.586 33.573 31.823 0.272 0.000 0.999 232 V HN 0.854 nan 8.190 nan 0.000 0.426 233 A N 6.059 129.085 122.820 0.342 0.000 2.454 233 A HA 1.001 5.321 4.320 -0.000 0.000 0.302 233 A C -1.350 176.359 177.584 0.208 0.000 1.079 233 A CA -0.586 51.640 52.037 0.314 0.000 0.731 233 A CB 1.835 20.957 19.000 0.203 0.000 1.299 233 A HN 1.660 nan 8.150 nan 0.000 0.413 234 L N -1.686 119.611 121.223 0.123 0.000 2.397 234 L HA 0.868 5.208 4.340 -0.000 0.000 0.251 234 L C -0.473 176.426 176.870 0.049 0.000 1.064 234 L CA -0.677 54.167 54.840 0.007 0.000 0.859 234 L CB 1.535 43.471 42.059 -0.205 0.000 1.468 234 L HN 0.750 nan 8.230 nan 0.000 0.411 235 E N 0.679 120.913 120.200 0.056 0.000 2.166 235 E HA 0.351 4.700 4.350 -0.000 0.000 0.275 235 E C -2.010 174.693 176.600 0.172 0.000 0.941 235 E CA -0.696 55.751 56.400 0.078 0.000 0.784 235 E CB 1.404 31.117 29.700 0.022 0.000 1.115 235 E HN 0.687 nan 8.360 nan 0.000 0.399 236 W N 5.536 126.813 121.300 -0.038 0.000 2.830 236 W HA 0.203 4.863 4.660 -0.000 0.000 0.335 236 W C -0.944 175.563 176.519 -0.020 0.000 1.043 236 W CA -0.538 56.792 57.345 -0.026 0.000 1.239 236 W CB 1.048 30.500 29.460 -0.014 0.000 1.378 236 W HN 0.818 nan 8.180 nan 0.000 0.456 237 E N 3.366 123.319 120.200 -0.413 0.000 2.269 237 E HA -0.231 4.119 4.350 -0.000 0.000 0.223 237 E C 1.046 177.587 176.600 -0.098 0.000 1.244 237 E CA 1.171 57.397 56.400 -0.291 0.000 0.713 237 E CB -1.270 28.259 29.700 -0.286 0.000 1.178 237 E HN 0.986 nan 8.360 nan 0.000 0.370 238 G N -0.203 108.550 108.800 -0.079 0.000 2.184 238 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 238 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 238 G C 0.149 175.036 174.900 -0.022 0.000 0.975 238 G CA 0.977 46.048 45.100 -0.049 0.000 0.642 238 G HN 0.321 nan 8.290 nan 0.000 0.536 239 K N -0.529 119.881 120.400 0.018 0.000 2.340 239 K HA 0.735 5.055 4.320 -0.000 0.000 0.244 239 K C -0.102 176.516 176.600 0.031 0.000 0.973 239 K CA -1.044 55.254 56.287 0.018 0.000 0.828 239 K CB 1.984 34.512 32.500 0.046 0.000 1.226 239 K HN 0.083 nan 8.250 nan 0.000 0.437 240 L N 2.651 123.860 121.223 -0.023 0.000 2.326 240 L HA 0.421 4.760 4.340 -0.000 0.000 0.278 240 L C -0.233 176.641 176.870 0.005 0.000 1.092 240 L CA -0.562 54.266 54.840 -0.021 0.000 0.810 240 L CB 0.528 42.525 42.059 -0.103 0.000 1.153 240 L HN 0.386 nan 8.230 nan 0.000 0.439 241 I N 4.671 125.297 120.570 0.094 0.000 2.355 241 I HA 0.324 4.493 4.170 -0.000 0.000 0.288 241 I C -0.597 175.665 176.117 0.242 0.000 0.999 241 I CA -0.457 60.943 61.300 0.166 0.000 1.163 241 I CB 1.696 39.846 38.000 0.251 0.000 1.316 241 I HN 0.423 nan 8.210 nan 0.000 0.454 242 I N 6.429 127.090 120.570 0.153 0.000 2.354 242 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 242 I C 0.061 176.317 176.117 0.231 0.000 1.007 242 I CA -0.195 61.216 61.300 0.184 0.000 1.167 242 I CB 0.931 38.941 38.000 0.017 0.000 1.320 242 I HN 0.457 nan 8.210 nan 0.000 0.458 243 N N 5.111 123.907 118.700 0.160 0.000 2.444 243 N HA 0.374 5.114 4.740 -0.000 0.000 0.262 243 N C -0.729 174.841 175.510 0.100 0.000 0.974 243 N CA -0.211 52.813 53.050 -0.042 0.000 0.933 243 N CB 1.352 39.500 38.487 -0.565 0.000 1.137 243 N HN 0.698 nan 8.380 nan 0.000 0.498 244 T N 0.304 114.947 114.554 0.149 0.000 2.912 244 T HA 0.463 4.813 4.350 -0.000 0.000 0.288 244 T C 0.139 174.940 174.700 0.169 0.000 1.030 244 T CA -0.975 61.250 62.100 0.208 0.000 1.020 244 T CB 1.843 70.897 68.868 0.310 0.000 1.056 244 T HN 0.478 nan 8.240 nan 0.000 0.480 245 R N 1.450 122.056 120.500 0.177 0.000 2.308 245 R HA 0.586 4.926 4.340 -0.000 0.000 0.305 245 R C -1.475 174.918 176.300 0.155 0.000 1.053 245 R CA -0.579 55.622 56.100 0.167 0.000 0.957 245 R CB 0.604 30.996 30.300 0.153 0.000 1.022 245 R HN 0.579 nan 8.270 nan 0.000 0.461 246 V N 4.683 124.670 119.914 0.122 0.000 2.419 246 V HA 0.140 4.260 4.120 -0.000 0.000 0.287 246 V C -0.802 175.323 176.094 0.052 0.000 1.017 246 V CA -1.053 61.312 62.300 0.109 0.000 0.844 246 V CB 1.490 33.377 31.823 0.106 0.000 1.011 246 V HN 0.825 nan 8.190 nan 0.000 0.429 247 D N 3.689 124.103 120.400 0.023 0.000 2.455 247 D HA 0.196 4.836 4.640 -0.000 0.000 0.241 247 D C 0.535 176.764 176.300 -0.119 0.000 1.138 247 D CA 0.695 54.568 54.000 -0.212 0.000 0.877 247 D CB 0.316 40.968 40.800 -0.247 0.000 1.187 247 D HN 0.686 nan 8.370 nan 0.000 0.451 248 Y N -0.584 119.714 120.300 -0.004 0.000 4.668 248 Y HA -0.329 4.221 4.550 -0.000 0.000 0.234 248 Y C 0.794 176.697 175.900 0.004 0.000 1.056 248 Y CA 0.673 58.766 58.100 -0.013 0.000 2.025 248 Y CB -1.060 37.390 38.460 -0.017 0.000 1.613 248 Y HN 0.320 nan 8.280 nan 0.000 0.653 249 R N -0.262 120.290 120.500 0.087 0.000 2.781 249 R HA 0.554 4.894 4.340 -0.000 0.000 0.269 249 R C -0.236 176.073 176.300 0.015 0.000 1.025 249 R CA -1.273 54.864 56.100 0.061 0.000 0.914 249 R CB 1.100 31.445 30.300 0.075 0.000 1.236 249 R HN 0.101 nan 8.270 nan 0.000 0.465 250 R N 1.235 121.725 120.500 -0.016 0.000 2.594 250 R HA 0.230 4.570 4.340 -0.000 0.000 0.272 250 R C 0.195 176.460 176.300 -0.058 0.000 1.074 250 R CA -0.311 55.751 56.100 -0.063 0.000 1.105 250 R CB 0.520 30.745 30.300 -0.125 0.000 1.008 250 R HN 0.215 nan 8.270 nan 0.000 0.472 251 R N 2.036 122.498 120.500 -0.064 0.000 2.489 251 R HA 0.076 4.416 4.340 -0.000 0.000 0.287 251 R C -0.164 176.086 176.300 -0.084 0.000 1.053 251 R CA 0.062 56.144 56.100 -0.030 0.000 1.036 251 R CB 0.308 30.607 30.300 -0.002 0.000 0.966 251 R HN 0.333 nan 8.270 nan 0.000 0.432 252 L N 3.575 124.773 121.223 -0.041 0.000 2.312 252 L HA 0.397 4.737 4.340 -0.000 0.000 0.281 252 L C -0.347 176.427 176.870 -0.160 0.000 1.070 252 L CA -0.768 53.986 54.840 -0.143 0.000 0.805 252 L CB 1.560 43.576 42.059 -0.073 0.000 1.174 252 L HN 0.295 nan 8.230 nan 0.000 0.434 253 V N 3.115 122.834 119.914 -0.326 0.000 2.540 253 V HA 0.465 4.585 4.120 -0.000 0.000 0.302 253 V C -0.910 174.984 176.094 -0.332 0.000 1.035 253 V CA -0.664 61.513 62.300 -0.204 0.000 0.873 253 V CB 1.728 33.453 31.823 -0.164 0.000 0.992 253 V HN 0.432 nan 8.190 nan 0.000 0.428 254 Y N 1.420 121.762 120.300 0.071 0.000 2.562 254 Y HA 0.639 5.189 4.550 -0.000 0.000 0.343 254 Y C 0.269 176.149 175.900 -0.033 0.000 1.025 254 Y CA -0.947 57.193 58.100 0.067 0.000 1.082 254 Y CB 1.865 40.462 38.460 0.229 0.000 1.264 254 Y HN 0.550 nan 8.280 nan 0.000 0.478 255 E N 0.501 120.772 120.200 0.119 0.000 2.212 255 E HA 0.591 4.941 4.350 -0.000 0.000 0.268 255 E C -1.315 175.239 176.600 -0.076 0.000 0.902 255 E CA -0.918 55.489 56.400 0.012 0.000 0.779 255 E CB 2.311 32.033 29.700 0.036 0.000 1.172 255 E HN 0.384 nan 8.360 nan 0.000 0.409 256 S N 0.795 116.400 115.700 -0.159 0.000 2.677 256 S HA 0.241 4.711 4.470 -0.000 0.000 0.283 256 S C -0.241 174.290 174.600 -0.115 0.000 1.159 256 S CA -0.568 57.517 58.200 -0.192 0.000 1.001 256 S CB 1.285 64.225 63.200 -0.434 0.000 1.032 256 S HN 0.378 nan 8.310 nan 0.000 0.487 257 S N 2.512 118.174 115.700 -0.064 0.000 2.556 257 S HA 0.104 4.574 4.470 -0.000 0.000 0.216 257 S C 0.020 174.584 174.600 -0.060 0.000 0.970 257 S CA -0.018 58.153 58.200 -0.048 0.000 0.912 257 S CB -0.087 63.101 63.200 -0.021 0.000 0.790 257 S HN 0.862 nan 8.310 nan 0.000 0.504 258 D N -0.348 120.011 120.400 -0.069 0.000 2.895 258 D HA 0.340 4.979 4.640 -0.000 0.000 0.350 258 D C 0.264 176.498 176.300 -0.109 0.000 1.389 258 D CA -0.614 53.347 54.000 -0.065 0.000 0.812 258 D CB -0.117 40.675 40.800 -0.013 0.000 1.164 258 D HN -0.109 nan 8.370 nan 0.000 0.455 259 M N 0.875 120.363 119.600 -0.188 0.000 2.576 259 M HA -0.117 4.363 4.480 -0.000 0.000 0.200 259 M C 1.078 177.278 176.300 -0.165 0.000 0.487 259 M CA 0.876 55.978 55.300 -0.329 0.000 0.553 259 M CB -1.634 30.596 32.600 -0.617 0.000 2.042 259 M HN 0.991 nan 8.290 nan 0.000 0.758 260 G N -1.221 107.540 108.800 -0.065 0.000 2.175 260 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.244 260 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.244 260 G C 0.701 175.830 174.900 0.382 0.000 0.982 260 G CA 0.432 45.636 45.100 0.173 0.000 0.641 260 G HN 0.558 nan 8.290 nan 0.000 0.527 261 N N 0.367 119.192 118.700 0.208 0.000 2.244 261 N HA 0.052 4.792 4.740 -0.000 0.000 0.183 261 N C 0.678 176.330 175.510 0.237 0.000 1.016 261 N CA 1.707 54.884 53.050 0.212 0.000 0.866 261 N CB 0.033 38.598 38.487 0.130 0.000 0.980 261 N HN 0.542 nan 8.380 nan 0.000 0.430 262 T N -0.002 114.696 114.554 0.240 0.000 2.881 262 T HA 0.371 4.721 4.350 -0.000 0.000 0.290 262 T C -1.204 173.691 174.700 0.324 0.000 1.000 262 T CA -0.571 61.681 62.100 0.252 0.000 0.978 262 T CB 1.366 70.313 68.868 0.131 0.000 0.997 262 T HN 0.016 nan 8.240 nan 0.000 0.443 263 W N 2.752 124.062 121.300 0.017 0.000 2.532 263 W HA 0.725 5.385 4.660 -0.000 0.000 0.321 263 W C -0.929 175.659 176.519 0.115 0.000 1.037 263 W CA -1.049 56.319 57.345 0.038 0.000 1.220 263 W CB 1.211 30.604 29.460 -0.113 0.000 1.361 263 W HN 0.400 nan 8.180 nan 0.000 0.468 264 L N 3.118 124.549 121.223 0.348 0.000 2.356 264 L HA 0.435 4.775 4.340 -0.000 0.000 0.277 264 L C 0.180 177.225 176.870 0.292 0.000 0.996 264 L CA -0.886 54.117 54.840 0.271 0.000 0.822 264 L CB 1.395 43.536 42.059 0.137 0.000 1.256 264 L HN 0.467 nan 8.230 nan 0.000 0.413 265 E N 3.570 123.906 120.200 0.226 0.000 2.415 265 E HA 0.209 4.559 4.350 -0.000 0.000 0.263 265 E C -0.227 176.303 176.600 -0.117 0.000 0.995 265 E CA 0.084 56.424 56.400 -0.099 0.000 0.915 265 E CB 1.017 30.601 29.700 -0.193 0.000 0.951 265 E HN 0.806 nan 8.360 nan 0.000 0.449 266 A N 5.177 127.895 122.820 -0.171 0.000 3.077 266 A HA 0.094 4.414 4.320 -0.000 0.000 0.255 266 A C 1.229 178.708 177.584 -0.174 0.000 1.728 266 A CA -0.028 51.931 52.037 -0.130 0.000 1.383 266 A CB -0.854 18.083 19.000 -0.104 0.000 1.097 266 A HN 0.594 nan 8.150 nan 0.000 0.634 267 V N -1.305 118.471 119.914 -0.230 0.000 2.626 267 V HA -0.050 4.070 4.120 -0.000 0.000 0.252 267 V C 1.749 177.739 176.094 -0.173 0.000 1.067 267 V CA 2.119 64.201 62.300 -0.365 0.000 1.081 267 V CB -0.916 30.346 31.823 -0.935 0.000 0.686 267 V HN 0.524 nan 8.190 nan 0.000 0.468 268 G N -0.063 108.680 108.800 -0.096 0.000 2.985 268 G HA2 0.215 4.175 3.960 -0.000 0.000 0.209 268 G HA3 0.215 4.175 3.960 -0.000 0.000 0.209 268 G C 1.099 175.990 174.900 -0.015 0.000 1.165 268 G CA 1.104 46.209 45.100 0.007 0.000 0.776 268 G HN 0.707 nan 8.290 nan 0.000 0.541 269 T N -2.407 112.122 114.554 -0.041 0.000 3.451 269 T HA 0.205 4.555 4.350 -0.000 0.000 0.201 269 T C 1.776 176.403 174.700 -0.123 0.000 0.965 269 T CA -0.085 61.964 62.100 -0.085 0.000 1.088 269 T CB 0.026 68.820 68.868 -0.123 0.000 1.251 269 T HN -0.019 nan 8.240 nan 0.000 0.325 270 L N 1.109 122.219 121.223 -0.188 0.000 2.672 270 L HA 0.442 4.782 4.340 -0.000 0.000 0.236 270 L C 1.194 177.838 176.870 -0.377 0.000 1.092 270 L CA -0.235 54.403 54.840 -0.337 0.000 0.887 270 L CB 0.416 42.341 42.059 -0.223 0.000 1.168 270 L HN 0.278 nan 8.230 nan 0.000 0.502 271 S N 0.772 116.303 115.700 -0.281 0.000 2.549 271 S HA 0.156 4.626 4.470 -0.000 0.000 0.283 271 S C 0.986 175.343 174.600 -0.405 0.000 1.320 271 S CA -0.002 58.008 58.200 -0.317 0.000 1.058 271 S CB 0.117 63.130 63.200 -0.312 0.000 0.882 271 S HN 0.437 nan 8.310 nan 0.000 0.498 272 R N 1.350 121.596 120.500 -0.423 0.000 3.994 272 R HA -0.170 4.170 4.340 -0.000 0.000 0.403 272 R C 0.993 176.950 176.300 -0.571 0.000 1.126 272 R CA 0.909 56.688 56.100 -0.535 0.000 1.143 272 R CB -2.694 27.100 30.300 -0.844 0.000 1.695 272 R HN 0.484 nan 8.270 nan 0.000 0.555 273 V N -0.243 119.303 119.914 -0.614 0.000 2.307 273 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 273 V C 1.264 176.908 176.094 -0.750 0.000 1.045 273 V CA 1.689 63.517 62.300 -0.788 0.000 1.024 273 V CB -0.174 30.866 31.823 -1.304 0.000 0.651 273 V HN 0.259 nan 8.190 nan 0.000 0.449 274 W N 0.622 121.657 121.300 -0.442 0.000 2.335 274 W HA 0.619 5.279 4.660 -0.000 0.000 0.307 274 W C 0.408 176.735 176.519 -0.321 0.000 1.117 274 W CA -0.623 56.464 57.345 -0.430 0.000 1.228 274 W CB 0.654 29.810 29.460 -0.506 0.000 1.240 274 W HN 0.144 nan 8.180 nan 0.000 0.468 275 G N 3.978 112.751 108.800 -0.044 0.000 2.389 275 G HA2 0.389 4.349 3.960 -0.000 0.000 0.317 275 G HA3 0.389 4.349 3.960 -0.000 0.000 0.317 275 G C -1.643 173.219 174.900 -0.063 0.000 1.137 275 G CA -1.185 43.886 45.100 -0.050 0.000 0.870 275 G HN 0.144 nan 8.290 nan 0.000 0.496 276 P HA 0.030 nan 4.420 nan 0.000 0.236 276 P C 0.423 177.803 177.300 0.133 0.000 1.177 276 P CA 0.586 63.726 63.100 0.067 0.000 0.773 276 P CB 0.406 32.146 31.700 0.067 0.000 0.878 277 S N -3.532 112.227 115.700 0.099 0.000 2.611 277 S HA 0.447 4.917 4.470 -0.000 0.000 0.268 277 S C -2.680 171.989 174.600 0.115 0.000 1.156 277 S CA -1.312 56.969 58.200 0.134 0.000 0.817 277 S CB 1.364 64.616 63.200 0.088 0.000 1.122 277 S HN -0.346 nan 8.310 nan 0.000 0.466 278 P HA -0.046 nan 4.420 nan 0.000 0.216 278 P C 0.505 177.814 177.300 0.015 0.000 1.150 278 P CA 1.488 64.612 63.100 0.040 0.000 0.843 278 P CB -0.002 31.648 31.700 -0.083 0.000 0.787 279 K N -1.556 118.852 120.400 0.015 0.000 2.399 279 K HA 0.230 4.550 4.320 -0.000 0.000 0.204 279 K C 0.176 176.789 176.600 0.022 0.000 1.023 279 K CA 0.034 56.327 56.287 0.009 0.000 1.127 279 K CB 0.049 32.550 32.500 0.002 0.000 0.856 279 K HN -0.135 nan 8.250 nan 0.000 0.514 280 S N 2.579 118.296 115.700 0.030 0.000 3.549 280 S HA -0.141 4.329 4.470 -0.000 0.000 0.366 280 S C 0.034 174.664 174.600 0.050 0.000 1.012 280 S CA 1.222 59.440 58.200 0.029 0.000 1.141 280 S CB -1.303 61.903 63.200 0.010 0.000 0.910 280 S HN 0.686 nan 8.310 nan 0.000 0.471 281 N N -0.724 118.016 118.700 0.067 0.000 2.451 281 N HA 0.175 4.915 4.740 -0.000 0.000 0.271 281 N C -0.391 175.243 175.510 0.207 0.000 1.410 281 N CA -0.498 52.633 53.050 0.135 0.000 0.884 281 N CB 0.452 38.990 38.487 0.085 0.000 1.332 281 N HN 0.270 nan 8.380 nan 0.000 0.498 282 Q N -0.033 119.794 119.800 0.044 0.000 2.496 282 Q HA 0.592 4.932 4.340 -0.000 0.000 0.286 282 Q C -2.831 172.843 176.000 -0.542 0.000 1.103 282 Q CA -1.760 53.961 55.803 -0.136 0.000 0.813 282 Q CB 1.499 30.177 28.738 -0.100 0.000 1.444 282 Q HN 0.048 nan 8.270 nan 0.000 0.443 283 P HA 0.050 nan 4.420 nan 0.000 0.268 283 P C -0.073 177.020 177.300 -0.346 0.000 1.208 283 P CA 0.336 62.926 63.100 -0.849 0.000 0.777 283 P CB 0.433 31.391 31.700 -1.236 0.000 0.875 284 G N 0.550 109.253 108.800 -0.161 0.000 2.531 284 G HA2 0.501 4.460 3.960 -0.000 0.000 0.253 284 G HA3 0.501 4.460 3.960 -0.000 0.000 0.253 284 G C -0.591 174.387 174.900 0.129 0.000 1.439 284 G CA -0.222 44.926 45.100 0.080 0.000 1.056 284 G HN 0.572 nan 8.290 nan 0.000 0.555 285 S N -2.253 113.527 115.700 0.134 0.000 2.588 285 S HA 0.376 4.846 4.470 -0.000 0.000 0.269 285 S C -1.013 173.494 174.600 -0.156 0.000 1.157 285 S CA -0.549 57.645 58.200 -0.010 0.000 0.824 285 S CB 1.735 64.751 63.200 -0.306 0.000 1.126 285 S HN 0.740 nan 8.310 nan 0.000 0.464 286 Q N 1.570 121.079 119.800 -0.485 0.000 2.394 286 Q HA 0.511 4.851 4.340 -0.000 0.000 0.248 286 Q C -1.126 174.704 176.000 -0.284 0.000 0.992 286 Q CA 0.344 55.864 55.803 -0.473 0.000 0.888 286 Q CB 1.065 29.254 28.738 -0.914 0.000 1.257 286 Q HN 0.634 nan 8.270 nan 0.000 0.462 287 S N 1.524 117.131 115.700 -0.155 0.000 2.540 287 S HA 0.285 4.755 4.470 -0.000 0.000 0.275 287 S C -1.138 173.422 174.600 -0.068 0.000 1.123 287 S CA -0.591 57.491 58.200 -0.196 0.000 0.907 287 S CB 1.816 64.899 63.200 -0.195 0.000 1.081 287 S HN 0.631 nan 8.310 nan 0.000 0.476 288 S N 1.902 117.550 115.700 -0.088 0.000 2.545 288 S HA 0.702 5.172 4.470 -0.000 0.000 0.275 288 S C -1.295 173.431 174.600 0.209 0.000 1.299 288 S CA -0.224 58.016 58.200 0.067 0.000 1.048 288 S CB 0.015 63.250 63.200 0.058 0.000 0.938 288 S HN 0.510 nan 8.310 nan 0.000 0.496 289 F N 4.532 124.545 119.950 0.106 0.000 2.831 289 F HA 0.446 4.972 4.527 -0.000 0.000 0.346 289 F C -0.414 175.482 175.800 0.160 0.000 1.224 289 F CA -0.387 57.723 58.000 0.184 0.000 1.048 289 F CB 1.278 40.421 39.000 0.239 0.000 1.339 289 F HN 0.662 nan 8.300 nan 0.000 0.514 290 T N 1.947 116.481 114.554 -0.034 0.000 2.906 290 T HA 0.913 5.263 4.350 -0.000 0.000 0.295 290 T C -0.890 173.761 174.700 -0.083 0.000 1.075 290 T CA -0.881 61.189 62.100 -0.050 0.000 1.005 290 T CB 1.860 70.777 68.868 0.082 0.000 1.136 290 T HN 0.850 nan 8.240 nan 0.000 0.498 291 A N 1.623 124.437 122.820 -0.010 0.000 2.288 291 A HA 0.843 5.163 4.320 -0.000 0.000 0.320 291 A C 0.119 177.779 177.584 0.126 0.000 1.217 291 A CA -0.649 51.447 52.037 0.099 0.000 0.840 291 A CB 0.413 19.516 19.000 0.172 0.000 1.179 291 A HN 1.804 nan 8.150 nan 0.000 0.504 292 V N -0.452 119.549 119.914 0.145 0.000 3.160 292 V HA 0.876 4.996 4.120 -0.000 0.000 0.310 292 V C -0.397 175.773 176.094 0.128 0.000 1.181 292 V CA -0.644 61.744 62.300 0.146 0.000 1.047 292 V CB 1.618 33.517 31.823 0.128 0.000 1.068 292 V HN 0.657 nan 8.190 nan 0.000 0.441 293 T N 2.935 117.581 114.554 0.154 0.000 2.791 293 T HA 0.716 5.065 4.350 -0.000 0.000 0.288 293 T C -0.496 174.291 174.700 0.145 0.000 0.999 293 T CA 0.023 62.200 62.100 0.129 0.000 0.952 293 T CB 0.566 69.505 68.868 0.118 0.000 0.938 293 T HN 0.627 nan 8.240 nan 0.000 0.444 294 I N 2.698 123.295 120.570 0.046 0.000 2.418 294 I HA 0.294 4.463 4.170 -0.000 0.000 0.287 294 I C 0.364 176.510 176.117 0.047 0.000 1.008 294 I CA -0.724 60.581 61.300 0.009 0.000 1.104 294 I CB 1.422 39.310 38.000 -0.186 0.000 1.264 294 I HN 0.724 nan 8.210 nan 0.000 0.438 295 E N 4.733 124.982 120.200 0.082 0.000 2.199 295 E HA -0.290 4.060 4.350 -0.000 0.000 0.208 295 E C 1.075 177.705 176.600 0.051 0.000 1.310 295 E CA 0.630 57.064 56.400 0.056 0.000 0.709 295 E CB -1.227 28.489 29.700 0.027 0.000 1.127 295 E HN 1.227 nan 8.360 nan 0.000 0.354 296 G N -0.448 108.389 108.800 0.062 0.000 2.179 296 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 296 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 296 G C 0.260 175.196 174.900 0.059 0.000 0.977 296 G CA 0.680 45.812 45.100 0.053 0.000 0.641 296 G HN 0.325 nan 8.290 nan 0.000 0.533 297 M N -0.011 119.634 119.600 0.075 0.000 2.294 297 M HA 0.527 5.007 4.480 -0.000 0.000 0.335 297 M C 0.331 176.704 176.300 0.122 0.000 1.079 297 M CA -0.974 54.389 55.300 0.105 0.000 0.982 297 M CB 1.856 34.541 32.600 0.143 0.000 1.651 297 M HN 0.084 nan 8.290 nan 0.000 0.437 298 R N 2.603 123.175 120.500 0.119 0.000 2.347 298 R HA 0.543 4.882 4.340 -0.000 0.000 0.304 298 R C -1.063 175.468 176.300 0.385 0.000 1.072 298 R CA -0.187 55.999 56.100 0.144 0.000 0.980 298 R CB 0.371 30.625 30.300 -0.076 0.000 0.986 298 R HN 0.601 nan 8.270 nan 0.000 0.448 299 V N 0.768 120.930 119.914 0.414 0.000 3.181 299 V HA 0.657 4.777 4.120 -0.000 0.000 0.307 299 V C -0.681 175.604 176.094 0.318 0.000 1.310 299 V CA -1.211 61.347 62.300 0.430 0.000 1.067 299 V CB 2.356 34.351 31.823 0.287 0.000 1.081 299 V HN 0.662 nan 8.190 nan 0.000 0.453 300 M N 1.672 121.374 119.600 0.170 0.000 2.465 300 M HA 0.672 5.152 4.480 -0.000 0.000 0.316 300 M C -1.403 175.014 176.300 0.196 0.000 1.121 300 M CA -0.404 54.944 55.300 0.080 0.000 0.934 300 M CB 2.244 34.787 32.600 -0.095 0.000 1.692 300 M HN 0.553 nan 8.290 nan 0.000 0.444 301 L N 2.684 124.018 121.223 0.185 0.000 2.341 301 L HA 0.679 5.019 4.340 -0.000 0.000 0.278 301 L C -1.356 175.746 176.870 0.386 0.000 1.005 301 L CA -0.574 54.420 54.840 0.258 0.000 0.818 301 L CB 1.687 43.839 42.059 0.155 0.000 1.259 301 L HN 0.587 nan 8.230 nan 0.000 0.418 302 F N 2.179 122.271 119.950 0.237 0.000 2.561 302 F HA 0.642 5.169 4.527 -0.000 0.000 0.313 302 F C -0.337 175.522 175.800 0.098 0.000 1.126 302 F CA -0.311 57.768 58.000 0.132 0.000 0.918 302 F CB 2.024 40.907 39.000 -0.195 0.000 1.199 302 F HN 0.469 nan 8.300 nan 0.000 0.444 303 T N 1.917 116.023 114.554 -0.746 0.000 2.887 303 T HA 0.636 4.986 4.350 -0.000 0.000 0.288 303 T C -1.461 172.724 174.700 -0.859 0.000 1.021 303 T CA -0.655 61.108 62.100 -0.562 0.000 1.000 303 T CB 1.750 70.466 68.868 -0.253 0.000 1.034 303 T HN 0.903 nan 8.240 nan 0.000 0.467 304 H N 1.100 119.882 119.070 -0.480 0.000 3.112 304 H HA 0.446 5.002 4.556 -0.000 0.000 0.347 304 H C -3.046 172.246 175.328 -0.060 0.000 1.188 304 H CA -1.296 54.582 56.048 -0.284 0.000 1.240 304 H CB 2.272 31.889 29.762 -0.242 0.000 1.920 304 H HN 0.518 nan 8.280 nan 0.000 0.535 305 P HA 0.046 nan 4.420 nan 0.000 0.275 305 P C 0.456 177.896 177.300 0.233 0.000 1.228 305 P CA -0.159 62.959 63.100 0.030 0.000 0.786 305 P CB 1.575 33.246 31.700 -0.047 0.000 0.927 306 L N 1.024 122.310 121.223 0.104 0.000 2.240 306 L HA -0.042 4.298 4.340 -0.000 0.000 0.211 306 L C 0.872 177.867 176.870 0.208 0.000 1.106 306 L CA 0.673 55.610 54.840 0.162 0.000 0.793 306 L CB -0.833 41.228 42.059 0.003 0.000 0.927 306 L HN 0.491 nan 8.230 nan 0.000 0.446 307 N N -0.387 118.375 118.700 0.102 0.000 2.727 307 N HA -0.254 4.486 4.740 -0.000 0.000 0.251 307 N C 0.563 176.246 175.510 0.287 0.000 1.040 307 N CA 0.346 53.483 53.050 0.145 0.000 0.712 307 N CB -1.455 37.110 38.487 0.130 0.000 0.912 307 N HN 0.317 nan 8.380 nan 0.000 0.545 308 F N 0.007 119.984 119.950 0.045 0.000 2.161 308 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 308 F C 2.064 177.880 175.800 0.027 0.000 1.089 308 F CA 0.993 59.014 58.000 0.036 0.000 1.282 308 F CB 0.015 39.034 39.000 0.033 0.000 1.010 308 F HN 0.235 nan 8.300 nan 0.000 0.485 309 K N 0.314 120.848 120.400 0.223 0.000 2.155 309 K HA 0.112 4.432 4.320 -0.000 0.000 0.203 309 K C 1.019 177.675 176.600 0.093 0.000 1.052 309 K CA 0.554 56.920 56.287 0.131 0.000 0.948 309 K CB -0.374 32.184 32.500 0.096 0.000 0.728 309 K HN 0.370 nan 8.250 nan 0.000 0.448 310 G N 0.762 109.612 108.800 0.083 0.000 2.710 310 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.668 310 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.668 310 G C -0.541 174.357 174.900 -0.003 0.000 1.320 310 G CA -0.326 44.792 45.100 0.031 0.000 0.860 310 G HN 0.298 nan 8.290 nan 0.000 0.538 311 R N -2.203 118.237 120.500 -0.099 0.000 3.895 311 R HA -0.224 4.115 4.340 -0.000 0.000 0.431 311 R C 1.039 177.169 176.300 -0.283 0.000 0.241 311 R CA 2.126 58.093 56.100 -0.221 0.000 1.369 311 R CB -1.313 29.046 30.300 0.100 0.000 1.017 311 R HN 0.801 nan 8.270 nan 0.000 0.556 312 W N 1.270 122.604 121.300 0.056 0.000 3.330 312 W HA 0.204 4.864 4.660 -0.000 0.000 0.348 312 W C 1.608 178.153 176.519 0.043 0.000 1.205 312 W CA -0.085 57.290 57.345 0.051 0.000 1.841 312 W CB -0.155 29.339 29.460 0.057 0.000 1.084 312 W HN 0.354 nan 8.180 nan 0.000 0.665 313 L N 0.763 122.104 121.223 0.197 0.000 2.012 313 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 313 L C 1.163 178.076 176.870 0.072 0.000 1.073 313 L CA 1.423 56.332 54.840 0.116 0.000 0.748 313 L CB -0.640 41.469 42.059 0.084 0.000 0.891 313 L HN -0.055 nan 8.230 nan 0.000 0.431 314 R N 1.169 121.707 120.500 0.065 0.000 3.205 314 R HA -0.145 4.195 4.340 -0.000 0.000 0.249 314 R C -0.342 175.957 176.300 -0.002 0.000 0.937 314 R CA 0.578 56.702 56.100 0.040 0.000 0.641 314 R CB -1.904 28.429 30.300 0.054 0.000 1.114 314 R HN 0.615 nan 8.270 nan 0.000 0.451 315 D N 0.771 121.160 120.400 -0.017 0.000 2.371 315 D HA 0.113 4.753 4.640 -0.000 0.000 0.242 315 D C 0.035 176.253 176.300 -0.135 0.000 1.218 315 D CA -0.520 53.438 54.000 -0.070 0.000 0.945 315 D CB 0.424 41.179 40.800 -0.074 0.000 1.137 315 D HN 0.248 nan 8.370 nan 0.000 0.464 316 R N -1.091 119.305 120.500 -0.175 0.000 3.084 316 R HA -0.203 4.137 4.340 -0.000 0.000 0.258 316 R C -0.542 175.656 176.300 -0.170 0.000 0.914 316 R CA -0.230 55.735 56.100 -0.226 0.000 0.646 316 R CB -1.884 28.166 30.300 -0.417 0.000 1.330 316 R HN 0.407 nan 8.270 nan 0.000 0.465 317 L N 1.595 122.710 121.223 -0.179 0.000 2.562 317 L HA 0.088 4.428 4.340 -0.000 0.000 0.271 317 L C 0.307 177.078 176.870 -0.165 0.000 1.167 317 L CA 0.732 55.460 54.840 -0.187 0.000 0.917 317 L CB 0.387 42.245 42.059 -0.335 0.000 1.187 317 L HN 0.301 nan 8.230 nan 0.000 0.482 318 N N 3.254 121.902 118.700 -0.086 0.000 2.370 318 N HA 0.603 5.343 4.740 -0.000 0.000 0.303 318 N C -1.498 173.933 175.510 -0.132 0.000 1.103 318 N CA -0.700 52.277 53.050 -0.122 0.000 0.848 318 N CB 1.345 39.810 38.487 -0.036 0.000 1.235 318 N HN 0.577 nan 8.380 nan 0.000 0.496 319 L N 2.836 123.910 121.223 -0.247 0.000 2.307 319 L HA 0.675 5.015 4.340 -0.000 0.000 0.284 319 L C -1.766 174.954 176.870 -0.250 0.000 1.023 319 L CA -0.423 54.333 54.840 -0.140 0.000 0.810 319 L CB 0.504 42.516 42.059 -0.078 0.000 1.231 319 L HN 0.576 nan 8.230 nan 0.000 0.423 320 W N 5.419 126.815 121.300 0.160 0.000 2.689 320 W HA 0.655 5.315 4.660 -0.000 0.000 0.340 320 W C -1.112 175.605 176.519 0.330 0.000 1.060 320 W CA -0.621 56.909 57.345 0.308 0.000 1.218 320 W CB 1.746 31.508 29.460 0.504 0.000 1.410 320 W HN 0.421 nan 8.180 nan 0.000 0.528 321 L N 2.695 124.284 121.223 0.610 0.000 2.362 321 L HA 0.864 5.204 4.340 -0.000 0.000 0.275 321 L C -0.522 176.726 176.870 0.630 0.000 0.998 321 L CA -0.071 55.064 54.840 0.491 0.000 0.820 321 L CB 1.966 44.224 42.059 0.332 0.000 1.270 321 L HN 0.374 nan 8.230 nan 0.000 0.415 322 T N 1.669 116.539 114.554 0.527 0.000 2.982 322 T HA 0.409 4.759 4.350 -0.000 0.000 0.321 322 T C -0.788 174.096 174.700 0.306 0.000 1.229 322 T CA -0.246 62.139 62.100 0.474 0.000 1.044 322 T CB 1.076 70.154 68.868 0.350 0.000 1.184 322 T HN 0.763 nan 8.240 nan 0.000 0.477 323 D N 3.128 123.674 120.400 0.242 0.000 2.463 323 D HA 0.169 4.809 4.640 -0.000 0.000 0.224 323 D C 0.791 177.075 176.300 -0.028 0.000 1.174 323 D CA -0.285 53.833 54.000 0.197 0.000 0.829 323 D CB -0.569 40.393 40.800 0.270 0.000 0.993 323 D HN 0.788 nan 8.370 nan 0.000 0.497 324 N N -0.166 118.397 118.700 -0.228 0.000 2.878 324 N HA -0.252 4.488 4.740 -0.000 0.000 0.247 324 N C 0.238 175.645 175.510 -0.171 0.000 1.021 324 N CA 1.098 53.980 53.050 -0.281 0.000 0.873 324 N CB -0.362 37.861 38.487 -0.439 0.000 1.128 324 N HN 0.457 nan 8.380 nan 0.000 0.571 325 Q N -0.642 119.047 119.800 -0.185 0.000 2.361 325 Q HA 0.224 4.563 4.340 -0.000 0.000 0.182 325 Q C -0.118 175.732 176.000 -0.249 0.000 0.650 325 Q CA -0.237 55.407 55.803 -0.265 0.000 0.842 325 Q CB 0.365 28.911 28.738 -0.320 0.000 1.211 325 Q HN 0.119 nan 8.270 nan 0.000 0.502 326 R N 0.988 121.273 120.500 -0.358 0.000 2.500 326 R HA 0.520 4.859 4.340 -0.000 0.000 0.275 326 R C -0.565 175.783 176.300 0.080 0.000 1.051 326 R CA 0.169 56.128 56.100 -0.236 0.000 1.088 326 R CB 0.876 30.775 30.300 -0.668 0.000 1.063 326 R HN 0.160 nan 8.270 nan 0.000 0.511 327 I N 2.146 122.901 120.570 0.308 0.000 2.468 327 I HA 0.220 4.390 4.170 -0.000 0.000 0.284 327 I C -1.348 175.164 176.117 0.658 0.000 1.038 327 I CA -0.830 60.744 61.300 0.457 0.000 1.083 327 I CB 1.282 39.406 38.000 0.206 0.000 1.223 327 I HN 0.529 nan 8.210 nan 0.000 0.443 328 Y N 6.280 126.973 120.300 0.655 0.000 2.341 328 Y HA 0.416 4.965 4.550 -0.000 0.000 0.337 328 Y C 0.082 176.209 175.900 0.379 0.000 1.014 328 Y CA -0.681 57.723 58.100 0.507 0.000 1.111 328 Y CB 1.276 39.983 38.460 0.412 0.000 1.194 328 Y HN 0.551 nan 8.280 nan 0.000 0.462 329 N N 4.902 123.249 118.700 -0.588 0.000 2.415 329 N HA 0.091 4.831 4.740 -0.000 0.000 0.250 329 N C 0.311 175.265 175.510 -0.927 0.000 1.127 329 N CA 0.161 52.598 53.050 -1.021 0.000 0.945 329 N CB 0.853 38.748 38.487 -0.985 0.000 1.196 329 N HN 0.612 nan 8.380 nan 0.000 0.499 330 V N 2.543 122.186 119.914 -0.451 0.000 2.343 330 V HA 0.157 4.277 4.120 -0.000 0.000 0.247 330 V C 1.502 177.475 176.094 -0.202 0.000 1.051 330 V CA 1.748 63.985 62.300 -0.105 0.000 1.036 330 V CB -1.425 30.410 31.823 0.020 0.000 0.654 330 V HN 0.916 nan 8.190 nan 0.000 0.451 331 G N -1.203 107.402 108.800 -0.326 0.000 2.340 331 G HA2 0.035 3.995 3.960 -0.000 0.000 0.282 331 G HA3 0.035 3.995 3.960 -0.000 0.000 0.282 331 G C -1.039 173.727 174.900 -0.223 0.000 1.312 331 G CA -0.293 44.652 45.100 -0.258 0.000 0.942 331 G HN 0.201 nan 8.290 nan 0.000 0.495 332 Q N -0.166 119.537 119.800 -0.161 0.000 2.314 332 Q HA 0.514 4.854 4.340 -0.000 0.000 0.257 332 Q C 0.937 176.863 176.000 -0.123 0.000 0.975 332 Q CA -0.399 55.315 55.803 -0.148 0.000 0.933 332 Q CB 1.367 30.028 28.738 -0.130 0.000 1.195 332 Q HN 0.432 nan 8.270 nan 0.000 0.426 333 V N 2.684 122.510 119.914 -0.146 0.000 2.535 333 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 333 V C 1.112 177.143 176.094 -0.106 0.000 1.045 333 V CA 1.389 63.616 62.300 -0.121 0.000 1.058 333 V CB -0.100 31.632 31.823 -0.151 0.000 0.689 333 V HN 0.868 nan 8.190 nan 0.000 0.461 334 S N 0.198 115.778 115.700 -0.199 0.000 2.633 334 S HA 0.448 4.918 4.470 -0.000 0.000 0.257 334 S C -0.328 174.252 174.600 -0.033 0.000 1.265 334 S CA -0.287 57.846 58.200 -0.112 0.000 0.980 334 S CB 0.716 63.812 63.200 -0.174 0.000 1.017 334 S HN 0.219 nan 8.310 nan 0.000 0.577 335 I N 0.929 121.501 120.570 0.004 0.000 2.436 335 I HA 0.566 4.736 4.170 -0.000 0.000 0.289 335 I C 1.091 177.198 176.117 -0.017 0.000 1.010 335 I CA -0.183 61.115 61.300 -0.003 0.000 1.098 335 I CB 1.076 39.088 38.000 0.020 0.000 1.266 335 I HN 1.132 nan 8.210 nan 0.000 0.434 336 G N 5.478 114.263 108.800 -0.025 0.000 2.596 336 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.295 336 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.295 336 G C 0.338 175.213 174.900 -0.041 0.000 1.240 336 G CA 0.594 45.681 45.100 -0.023 0.000 0.985 336 G HN 0.889 nan 8.290 nan 0.000 0.555 337 D N 1.686 122.071 120.400 -0.025 0.000 2.427 337 D HA 0.125 4.765 4.640 -0.000 0.000 0.224 337 D C 0.939 177.222 176.300 -0.029 0.000 1.157 337 D CA 0.671 54.652 54.000 -0.031 0.000 0.828 337 D CB -0.573 40.229 40.800 0.005 0.000 0.974 337 D HN 0.956 nan 8.370 nan 0.000 0.498 338 E N 0.652 120.835 120.200 -0.027 0.000 2.413 338 E HA -0.022 4.328 4.350 -0.000 0.000 0.263 338 E C -0.347 176.233 176.600 -0.032 0.000 1.015 338 E CA -0.384 56.003 56.400 -0.023 0.000 0.916 338 E CB 0.374 30.071 29.700 -0.005 0.000 0.947 338 E HN -0.071 nan 8.360 nan 0.000 0.440 339 N N 1.964 120.639 118.700 -0.041 0.000 2.475 339 N HA 0.039 4.779 4.740 -0.000 0.000 0.267 339 N C -0.869 174.622 175.510 -0.032 0.000 1.169 339 N CA 0.104 53.126 53.050 -0.045 0.000 0.947 339 N CB 1.117 39.561 38.487 -0.072 0.000 1.061 339 N HN 0.581 nan 8.380 nan 0.000 0.466 340 S N -0.684 115.004 115.700 -0.019 0.000 2.488 340 S HA 0.523 4.993 4.470 -0.000 0.000 0.151 340 S C 0.421 175.015 174.600 -0.009 0.000 1.401 340 S CA -0.757 57.453 58.200 0.017 0.000 1.221 340 S CB 0.583 63.769 63.200 -0.024 0.000 1.407 340 S HN 0.529 nan 8.310 nan 0.000 0.406 341 A N 2.000 124.820 122.820 0.001 0.000 1.849 341 A HA 0.411 4.731 4.320 -0.000 0.000 0.214 341 A C 0.189 177.898 177.584 0.208 0.000 1.269 341 A CA 0.848 52.890 52.037 0.009 0.000 0.605 341 A CB -0.489 18.403 19.000 -0.180 0.000 0.937 341 A HN 0.697 nan 8.150 nan 0.000 0.461 342 Y N 0.368 120.682 120.300 0.024 0.000 2.320 342 Y HA 0.559 5.109 4.550 -0.000 0.000 0.324 342 Y C 0.720 176.638 175.900 0.029 0.000 1.190 342 Y CA -1.292 56.806 58.100 -0.003 0.000 1.215 342 Y CB 0.785 39.247 38.460 0.004 0.000 1.221 342 Y HN 0.441 nan 8.280 nan 0.000 0.486 343 S N -0.228 115.575 115.700 0.171 0.000 2.625 343 S HA 0.776 5.246 4.470 -0.000 0.000 0.271 343 S C -1.055 173.606 174.600 0.101 0.000 1.161 343 S CA -0.954 57.327 58.200 0.135 0.000 0.820 343 S CB 2.185 65.421 63.200 0.061 0.000 1.137 343 S HN 0.525 nan 8.310 nan 0.000 0.470 344 S N 0.416 116.192 115.700 0.127 0.000 2.668 344 S HA 0.592 5.062 4.470 -0.000 0.000 0.277 344 S C -1.522 173.174 174.600 0.160 0.000 1.170 344 S CA -0.491 57.788 58.200 0.133 0.000 0.994 344 S CB 1.039 64.325 63.200 0.142 0.000 1.051 344 S HN 0.830 nan 8.310 nan 0.000 0.484 345 V N 5.474 125.479 119.914 0.152 0.000 2.427 345 V HA 0.650 4.770 4.120 -0.000 0.000 0.286 345 V C -0.409 175.814 176.094 0.216 0.000 1.034 345 V CA -0.671 61.731 62.300 0.171 0.000 0.893 345 V CB 1.342 33.244 31.823 0.132 0.000 0.982 345 V HN 0.768 nan 8.190 nan 0.000 0.452 346 L N 5.577 126.969 121.223 0.280 0.000 2.362 346 L HA 0.599 4.938 4.340 -0.000 0.000 0.275 346 L C -1.398 175.723 176.870 0.417 0.000 0.998 346 L CA -0.480 54.556 54.840 0.327 0.000 0.820 346 L CB 1.712 43.971 42.059 0.333 0.000 1.270 346 L HN 0.624 nan 8.230 nan 0.000 0.415 347 Y N 5.169 125.594 120.300 0.207 0.000 2.345 347 Y HA 0.585 5.135 4.550 -0.000 0.000 0.331 347 Y C -0.950 175.063 175.900 0.188 0.000 0.959 347 Y CA -0.685 57.520 58.100 0.174 0.000 1.204 347 Y CB 0.816 39.344 38.460 0.113 0.000 1.135 347 Y HN 0.709 nan 8.280 nan 0.000 0.477 348 K N 5.456 125.834 120.400 -0.038 0.000 2.507 348 K HA 0.296 4.616 4.320 -0.000 0.000 0.251 348 K C -1.039 175.480 176.600 -0.134 0.000 0.943 348 K CA -0.443 55.808 56.287 -0.059 0.000 0.794 348 K CB 0.930 33.498 32.500 0.112 0.000 1.188 348 K HN 0.725 nan 8.250 nan 0.000 0.428 349 D N 3.905 124.180 120.400 -0.207 0.000 2.689 349 D HA -0.199 4.440 4.640 -0.000 0.000 0.237 349 D C -0.387 175.802 176.300 -0.184 0.000 1.148 349 D CA 1.811 55.724 54.000 -0.146 0.000 0.656 349 D CB -0.791 39.985 40.800 -0.040 0.000 1.050 349 D HN 1.008 nan 8.370 nan 0.000 0.426 350 D N -0.860 119.284 120.400 -0.426 0.000 2.837 350 D HA -0.215 4.425 4.640 -0.000 0.000 0.230 350 D C -0.644 175.627 176.300 -0.049 0.000 1.152 350 D CA 1.300 55.157 54.000 -0.238 0.000 0.736 350 D CB -0.286 40.504 40.800 -0.018 0.000 1.084 350 D HN 0.500 nan 8.370 nan 0.000 0.429 351 K N -0.279 120.052 120.400 -0.116 0.000 2.422 351 K HA 0.571 4.891 4.320 -0.000 0.000 0.251 351 K C -0.835 175.668 176.600 -0.162 0.000 0.933 351 K CA -1.163 55.049 56.287 -0.125 0.000 0.798 351 K CB 2.210 34.611 32.500 -0.165 0.000 1.238 351 K HN 0.011 nan 8.250 nan 0.000 0.428 352 L N 2.802 123.857 121.223 -0.280 0.000 2.317 352 L HA 0.494 4.834 4.340 -0.000 0.000 0.281 352 L C -1.599 174.980 176.870 -0.484 0.000 1.024 352 L CA -0.248 54.505 54.840 -0.146 0.000 0.810 352 L CB 0.723 42.779 42.059 -0.005 0.000 1.240 352 L HN 0.496 nan 8.230 nan 0.000 0.427 353 Y N 2.836 123.177 120.300 0.068 0.000 2.553 353 Y HA 0.625 5.175 4.550 -0.000 0.000 0.347 353 Y C -0.508 175.387 175.900 -0.009 0.000 1.019 353 Y CA -0.637 57.431 58.100 -0.053 0.000 1.032 353 Y CB 2.110 40.557 38.460 -0.023 0.000 1.284 353 Y HN 0.637 nan 8.280 nan 0.000 0.466 354 C N 3.661 123.009 119.300 0.079 0.000 2.516 354 C HA 0.684 5.144 4.460 -0.000 0.000 0.338 354 C C -1.529 173.542 174.990 0.135 0.000 1.132 354 C CA -0.749 58.349 59.018 0.135 0.000 1.310 354 C CB -0.121 27.702 27.740 0.139 0.000 1.898 354 C HN 0.792 nan 8.230 nan 0.000 0.452 355 L N 7.344 128.691 121.223 0.207 0.000 2.257 355 L HA 0.747 5.087 4.340 -0.000 0.000 0.290 355 L C -0.181 176.792 176.870 0.171 0.000 1.044 355 L CA 0.704 55.661 54.840 0.195 0.000 0.810 355 L CB 0.426 42.626 42.059 0.236 0.000 1.193 355 L HN 0.942 nan 8.230 nan 0.000 0.425 356 H N 1.367 120.480 119.070 0.072 0.000 2.985 356 H HA 0.607 5.163 4.556 -0.000 0.000 0.360 356 H C -1.195 174.162 175.328 0.047 0.000 1.221 356 H CA -1.000 55.079 56.048 0.052 0.000 1.121 356 H CB 0.825 30.608 29.762 0.036 0.000 1.854 356 H HN 0.554 nan 8.280 nan 0.000 0.551 357 E N 1.242 121.584 120.200 0.237 0.000 2.366 357 E HA 0.329 4.679 4.350 -0.000 0.000 0.266 357 E C -0.173 176.544 176.600 0.195 0.000 1.051 357 E CA -0.401 56.103 56.400 0.173 0.000 0.884 357 E CB 1.239 31.042 29.700 0.172 0.000 1.006 357 E HN 0.557 nan 8.360 nan 0.000 0.417 358 I N -0.209 120.412 120.570 0.086 0.000 2.582 358 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 358 I C -0.971 175.085 176.117 -0.103 0.000 1.066 358 I CA -0.834 60.479 61.300 0.022 0.000 1.053 358 I CB 1.970 39.977 38.000 0.011 0.000 1.241 358 I HN 0.368 nan 8.210 nan 0.000 0.421 359 N N 4.121 122.693 118.700 -0.214 0.000 2.410 359 N HA 0.443 5.183 4.740 -0.000 0.000 0.287 359 N C -1.632 173.696 175.510 -0.303 0.000 1.044 359 N CA -0.270 52.484 53.050 -0.494 0.000 0.881 359 N CB 1.920 39.891 38.487 -0.860 0.000 1.405 359 N HN 0.714 nan 8.380 nan 0.000 0.490 360 S N 2.409 117.957 115.700 -0.254 0.000 2.561 360 S HA 0.322 4.792 4.470 -0.000 0.000 0.303 360 S C -0.237 174.288 174.600 -0.125 0.000 1.110 360 S CA -0.669 57.444 58.200 -0.145 0.000 1.034 360 S CB 1.028 64.174 63.200 -0.089 0.000 1.010 360 S HN 0.772 nan 8.310 nan 0.000 0.482 361 N N 2.837 121.489 118.700 -0.080 0.000 2.721 361 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 361 N C -0.511 174.994 175.510 -0.008 0.000 1.072 361 N CA 1.022 54.054 53.050 -0.031 0.000 0.710 361 N CB -0.896 37.582 38.487 -0.014 0.000 0.993 361 N HN 0.782 nan 8.380 nan 0.000 0.547 362 E N -3.402 116.761 120.200 -0.061 0.000 2.637 362 E HA -0.195 4.155 4.350 -0.000 0.000 0.265 362 E C -0.572 176.141 176.600 0.189 0.000 1.073 362 E CA 0.886 57.318 56.400 0.053 0.000 0.778 362 E CB -1.853 27.949 29.700 0.171 0.000 1.362 362 E HN 0.446 nan 8.360 nan 0.000 0.413 363 V N 1.054 120.956 119.914 -0.021 0.000 2.409 363 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 363 V C -0.247 175.812 176.094 -0.058 0.000 1.020 363 V CA -0.710 61.611 62.300 0.036 0.000 0.848 363 V CB 1.008 32.750 31.823 -0.135 0.000 0.990 363 V HN 0.050 nan 8.190 nan 0.000 0.430 364 Y N 1.768 122.069 120.300 0.002 0.000 2.352 364 Y HA 0.682 5.232 4.550 -0.000 0.000 0.339 364 Y C 0.658 176.603 175.900 0.074 0.000 0.992 364 Y CA -0.409 57.703 58.100 0.020 0.000 1.100 364 Y CB 2.250 40.715 38.460 0.007 0.000 1.192 364 Y HN 0.592 nan 8.280 nan 0.000 0.458 365 S N 2.869 118.683 115.700 0.190 0.000 2.648 365 S HA 0.704 5.174 4.470 -0.000 0.000 0.305 365 S C -1.007 173.666 174.600 0.121 0.000 1.094 365 S CA -0.866 57.443 58.200 0.182 0.000 0.983 365 S CB 1.065 64.316 63.200 0.085 0.000 1.101 365 S HN 0.455 nan 8.310 nan 0.000 0.514 366 L N 2.449 123.719 121.223 0.078 0.000 2.305 366 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 366 L C -0.373 176.491 176.870 -0.010 0.000 1.013 366 L CA -0.941 53.895 54.840 -0.007 0.000 0.819 366 L CB 1.446 43.421 42.059 -0.140 0.000 1.227 366 L HN 0.450 nan 8.230 nan 0.000 0.417 367 V N 0.089 119.924 119.914 -0.133 0.000 2.617 367 V HA 0.502 4.622 4.120 -0.000 0.000 0.298 367 V C -0.748 175.326 176.094 -0.032 0.000 1.048 367 V CA -0.624 61.601 62.300 -0.124 0.000 0.964 367 V CB 1.769 33.441 31.823 -0.251 0.000 1.004 367 V HN 0.549 nan 8.190 nan 0.000 0.466 368 F N 3.901 123.803 119.950 -0.080 0.000 2.375 368 F HA 0.827 5.353 4.527 -0.000 0.000 0.361 368 F C 0.258 176.109 175.800 0.085 0.000 1.117 368 F CA -0.615 57.399 58.000 0.022 0.000 1.037 368 F CB 0.503 39.519 39.000 0.027 0.000 1.192 368 F HN 0.948 nan 8.300 nan 0.000 0.452 369 A N 6.657 129.283 122.820 -0.323 0.000 2.317 369 A HA 0.708 5.027 4.320 -0.000 0.000 0.327 369 A C -0.503 176.902 177.584 -0.298 0.000 1.178 369 A CA -0.901 51.010 52.037 -0.210 0.000 0.817 369 A CB 0.817 19.796 19.000 -0.035 0.000 1.189 369 A HN 0.818 nan 8.150 nan 0.000 0.489 370 R N 2.354 122.752 120.500 -0.170 0.000 2.204 370 R HA 0.298 4.638 4.340 -0.000 0.000 0.341 370 R C -0.876 175.339 176.300 -0.142 0.000 1.035 370 R CA -0.229 55.774 56.100 -0.162 0.000 0.887 370 R CB 0.648 30.922 30.300 -0.045 0.000 1.114 370 R HN 0.646 nan 8.270 nan 0.000 0.473 371 L N 4.429 125.544 121.223 -0.181 0.000 2.480 371 L HA 0.079 4.419 4.340 -0.000 0.000 0.243 371 L C 1.373 178.180 176.870 -0.106 0.000 1.315 371 L CA -0.228 54.546 54.840 -0.110 0.000 1.231 371 L CB 0.209 42.221 42.059 -0.079 0.000 1.444 371 L HN 0.536 nan 8.230 nan 0.000 0.409 372 V N 1.085 120.945 119.914 -0.089 0.000 2.270 372 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 372 V C 2.469 178.536 176.094 -0.044 0.000 1.043 372 V CA 2.241 64.501 62.300 -0.067 0.000 1.014 372 V CB -0.602 31.193 31.823 -0.046 0.000 0.645 372 V HN 0.806 nan 8.190 nan 0.000 0.447 373 G N -0.417 108.362 108.800 -0.034 0.000 2.418 373 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 373 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 373 G C 1.426 176.311 174.900 -0.025 0.000 1.158 373 G CA 0.922 46.007 45.100 -0.025 0.000 0.771 373 G HN 0.531 nan 8.290 nan 0.000 0.545 374 E N -0.097 120.085 120.200 -0.031 0.000 2.051 374 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 374 E C 2.293 178.874 176.600 -0.033 0.000 0.991 374 E CA 0.604 56.988 56.400 -0.026 0.000 0.799 374 E CB -0.390 29.291 29.700 -0.031 0.000 0.748 374 E HN 0.340 nan 8.360 nan 0.000 0.449 375 L N 0.970 122.169 121.223 -0.041 0.000 2.083 375 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 375 L C 2.254 179.096 176.870 -0.047 0.000 1.083 375 L CA 1.714 56.528 54.840 -0.044 0.000 0.752 375 L CB -0.298 41.750 42.059 -0.019 0.000 0.899 375 L HN 0.007 nan 8.230 nan 0.000 0.433 376 R N -0.236 120.241 120.500 -0.039 0.000 2.073 376 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 376 R C 2.316 178.581 176.300 -0.058 0.000 1.134 376 R CA 2.202 58.278 56.100 -0.040 0.000 0.952 376 R CB -0.463 29.820 30.300 -0.028 0.000 0.850 376 R HN 0.457 nan 8.270 nan 0.000 0.433 377 I N 0.762 121.304 120.570 -0.047 0.000 2.163 377 I HA -0.316 3.853 4.170 -0.000 0.000 0.243 377 I C 2.412 178.444 176.117 -0.142 0.000 1.085 377 I CA 1.357 62.623 61.300 -0.057 0.000 1.347 377 I CB -0.240 37.772 38.000 0.020 0.000 1.044 377 I HN 0.232 nan 8.210 nan 0.000 0.408 378 I N 0.638 121.135 120.570 -0.122 0.000 2.163 378 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 378 I C 2.532 178.507 176.117 -0.236 0.000 1.085 378 I CA 1.626 62.812 61.300 -0.190 0.000 1.347 378 I CB -0.373 37.549 38.000 -0.130 0.000 1.044 378 I HN 0.174 nan 8.210 nan 0.000 0.408 379 K N 0.003 120.307 120.400 -0.159 0.000 2.097 379 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 379 K C 2.350 178.850 176.600 -0.167 0.000 1.049 379 K CA 1.676 57.880 56.287 -0.138 0.000 0.933 379 K CB -0.269 32.184 32.500 -0.078 0.000 0.717 379 K HN 0.209 nan 8.250 nan 0.000 0.442 380 S N 0.671 116.270 115.700 -0.169 0.000 2.356 380 S HA -0.123 4.346 4.470 -0.000 0.000 0.223 380 S C 2.047 176.494 174.600 -0.256 0.000 1.032 380 S CA 1.231 59.329 58.200 -0.169 0.000 1.005 380 S CB -0.199 62.923 63.200 -0.129 0.000 0.867 380 S HN 0.080 nan 8.310 nan 0.000 0.449 381 V N 2.277 121.946 119.914 -0.409 0.000 2.295 381 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 381 V C 2.463 178.098 176.094 -0.765 0.000 1.049 381 V CA 1.922 63.824 62.300 -0.663 0.000 1.024 381 V CB -0.745 30.442 31.823 -1.060 0.000 0.648 381 V HN 0.493 nan 8.190 nan 0.000 0.447 382 L N -0.413 120.438 121.223 -0.620 0.000 2.131 382 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 382 L C 2.632 179.426 176.870 -0.126 0.000 1.092 382 L CA 1.597 56.209 54.840 -0.379 0.000 0.759 382 L CB -0.558 41.376 42.059 -0.210 0.000 0.903 382 L HN 0.376 nan 8.230 nan 0.000 0.435 383 Q N 0.086 119.797 119.800 -0.148 0.000 2.084 383 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 383 Q C 2.300 178.248 176.000 -0.086 0.000 0.978 383 Q CA 2.127 57.874 55.803 -0.093 0.000 0.844 383 Q CB -0.127 28.546 28.738 -0.109 0.000 0.898 383 Q HN 0.339 nan 8.270 nan 0.000 0.426 384 S N -0.435 115.206 115.700 -0.098 0.000 2.368 384 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 384 S C 1.304 176.038 174.600 0.222 0.000 1.030 384 S CA 1.134 59.317 58.200 -0.028 0.000 0.999 384 S CB -0.469 62.778 63.200 0.077 0.000 0.844 384 S HN 0.486 nan 8.310 nan 0.000 0.459 385 W N 2.011 123.392 121.300 0.135 0.000 2.354 385 W HA 0.037 4.697 4.660 0.000 0.000 0.315 385 W C 2.404 179.066 176.519 0.238 0.000 1.206 385 W CA 0.408 57.943 57.345 0.317 0.000 1.290 385 W CB -1.155 28.485 29.460 0.300 0.000 1.152 385 W HN 0.280 nan 8.180 nan 0.000 0.489 386 K N 0.192 120.800 120.400 0.346 0.000 2.057 386 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 386 K C 1.775 178.434 176.600 0.098 0.000 1.049 386 K CA 1.736 58.140 56.287 0.195 0.000 0.931 386 K CB -0.300 32.264 32.500 0.107 0.000 0.714 386 K HN -0.034 nan 8.250 nan 0.000 0.440 387 N N 0.298 118.974 118.700 -0.040 0.000 2.058 387 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 387 N C 1.562 176.959 175.510 -0.189 0.000 1.037 387 N CA 1.624 54.526 53.050 -0.247 0.000 0.848 387 N CB -0.575 37.583 38.487 -0.548 0.000 1.021 387 N HN 0.362 nan 8.380 nan 0.000 0.422 388 W N 1.541 122.887 121.300 0.077 0.000 2.358 388 W HA -0.094 4.565 4.660 -0.000 0.000 0.303 388 W C 1.923 178.585 176.519 0.238 0.000 1.208 388 W CA 0.208 57.620 57.345 0.112 0.000 1.274 388 W CB -0.200 29.175 29.460 -0.142 0.000 1.138 388 W HN 0.019 nan 8.180 nan 0.000 0.515 389 D N -0.370 120.310 120.400 0.466 0.000 2.117 389 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 389 D C 2.211 178.639 176.300 0.213 0.000 0.987 389 D CA 1.822 56.022 54.000 0.334 0.000 0.829 389 D CB -0.854 40.110 40.800 0.273 0.000 0.961 389 D HN 0.005 nan 8.370 nan 0.000 0.460 390 S N -0.471 115.331 115.700 0.170 0.000 2.356 390 S HA -0.252 4.218 4.470 -0.000 0.000 0.223 390 S C 1.995 176.667 174.600 0.120 0.000 1.032 390 S CA 1.803 60.065 58.200 0.103 0.000 1.005 390 S CB -0.331 62.899 63.200 0.050 0.000 0.867 390 S HN 0.415 nan 8.310 nan 0.000 0.449 391 H N 1.243 120.361 119.070 0.080 0.000 2.265 391 H HA -0.045 4.511 4.556 -0.000 0.000 0.295 391 H C 1.948 177.376 175.328 0.167 0.000 1.084 391 H CA 2.406 58.525 56.048 0.119 0.000 1.261 391 H CB -0.704 29.190 29.762 0.219 0.000 1.360 391 H HN 0.406 nan 8.280 nan 0.000 0.487 392 L N -0.097 121.109 121.223 -0.029 0.000 2.017 392 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 392 L C 1.392 178.221 176.870 -0.069 0.000 1.073 392 L CA 0.776 55.540 54.840 -0.126 0.000 0.745 392 L CB -0.435 41.641 42.059 0.029 0.000 0.894 392 L HN 0.165 nan 8.230 nan 0.000 0.432 393 S N -1.120 114.583 115.700 0.005 0.000 2.600 393 S HA 0.191 4.661 4.470 -0.000 0.000 0.265 393 S C 1.065 175.659 174.600 -0.010 0.000 1.325 393 S CA 0.088 58.291 58.200 0.005 0.000 1.002 393 S CB 1.514 64.732 63.200 0.030 0.000 0.921 393 S HN 0.381 nan 8.310 nan 0.000 0.554 394 S N -0.943 114.753 115.700 -0.007 0.000 2.105 394 S HA -0.174 4.296 4.470 -0.000 0.000 0.242 394 S C 0.306 174.898 174.600 -0.013 0.000 1.128 394 S CA 0.662 58.860 58.200 -0.003 0.000 1.482 394 S CB -1.468 61.739 63.200 0.012 0.000 1.865 394 S HN 0.671 nan 8.310 nan 0.000 0.577 395 I N 2.288 122.832 120.570 -0.042 0.000 2.618 395 I HA 0.050 4.219 4.170 -0.000 0.000 0.284 395 I C 1.106 177.208 176.117 -0.025 0.000 1.146 395 I CA 0.032 61.307 61.300 -0.042 0.000 1.425 395 I CB 0.541 38.493 38.000 -0.079 0.000 1.383 395 I HN 0.527 nan 8.210 nan 0.000 0.562 396 c N 7.785 126.377 118.600 -0.013 0.000 2.416 396 c HA 0.291 4.861 4.570 -0.000 0.000 0.355 396 c C 1.056 175.132 174.090 -0.023 0.000 1.211 396 c CA -0.570 55.751 56.329 -0.014 0.000 1.699 396 c CB -1.233 41.273 42.510 -0.007 0.000 2.310 396 c HN 0.847 nan 8.230 nan 0.000 0.539 397 T N 5.294 119.829 114.554 -0.030 0.000 2.910 397 T HA 0.449 4.799 4.350 -0.000 0.000 0.293 397 T C -2.512 172.163 174.700 -0.043 0.000 1.015 397 T CA -1.397 60.677 62.100 -0.042 0.000 1.094 397 T CB 0.846 69.685 68.868 -0.048 0.000 0.968 397 T HN 0.549 nan 8.240 nan 0.000 0.521 398 P HA 0.203 nan 4.420 nan 0.000 0.264 398 P C 0.351 177.626 177.300 -0.042 0.000 1.179 398 P CA 0.056 63.124 63.100 -0.054 0.000 0.763 398 P CB -0.020 31.630 31.700 -0.083 0.000 0.806 411 G N 1.427 110.214 108.800 -0.022 0.000 2.553 411 G HA2 0.597 4.557 3.960 -0.000 0.000 0.278 411 G HA3 0.597 4.557 3.960 -0.000 0.000 0.278 411 G C -2.685 172.201 174.900 -0.024 0.000 1.349 411 G CA -0.528 44.557 45.100 -0.024 0.000 1.037 411 G HN 0.556 nan 8.290 nan 0.000 0.508 412 P HA 0.299 nan 4.420 nan 0.000 0.268 412 P C -0.071 177.212 177.300 -0.029 0.000 1.208 412 P CA 0.034 63.118 63.100 -0.027 0.000 0.777 412 P CB 0.550 32.232 31.700 -0.031 0.000 0.875 413 A N 2.585 125.390 122.820 -0.025 0.000 2.351 413 A HA 0.265 4.585 4.320 -0.000 0.000 0.257 413 A C -0.004 177.564 177.584 -0.026 0.000 1.087 413 A CA -0.466 51.557 52.037 -0.024 0.000 0.798 413 A CB -0.007 18.984 19.000 -0.015 0.000 1.033 413 A HN 0.393 nan 8.150 nan 0.000 0.488 414 V N 1.880 121.779 119.914 -0.026 0.000 2.599 414 V HA 0.111 4.231 4.120 -0.000 0.000 0.300 414 V C 1.263 177.359 176.094 0.004 0.000 1.034 414 V CA 0.567 62.856 62.300 -0.019 0.000 1.115 414 V CB 0.888 32.696 31.823 -0.024 0.000 0.934 414 V HN 0.969 nan 8.190 nan 0.000 0.485 415 T N 3.337 117.898 114.554 0.012 0.000 2.869 415 T HA 0.254 4.604 4.350 -0.000 0.000 0.295 415 T C 0.963 175.749 174.700 0.144 0.000 0.987 415 T CA 0.177 62.302 62.100 0.041 0.000 1.109 415 T CB 0.785 69.638 68.868 -0.025 0.000 0.932 415 T HN 1.030 nan 8.240 nan 0.000 0.518 416 T N 1.402 116.011 114.554 0.093 0.000 3.044 416 T HA 0.251 4.601 4.350 -0.000 0.000 0.260 416 T C 0.401 175.112 174.700 0.020 0.000 1.019 416 T CA -0.277 61.857 62.100 0.056 0.000 0.921 416 T CB 0.053 68.948 68.868 0.045 0.000 1.053 416 T HN 0.365 nan 8.240 nan 0.000 0.533 417 V N 2.519 122.467 119.914 0.057 0.000 2.415 417 V HA 0.525 4.645 4.120 -0.000 0.000 0.267 417 V C 1.607 177.722 176.094 0.036 0.000 1.042 417 V CA 0.871 63.181 62.300 0.017 0.000 1.000 417 V CB -0.281 31.545 31.823 0.005 0.000 1.015 417 V HN 0.836 nan 8.190 nan 0.000 0.478 418 G N 4.507 113.268 108.800 -0.066 0.000 2.159 418 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.256 418 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.256 418 G C -0.097 174.654 174.900 -0.249 0.000 0.977 418 G CA 0.125 45.148 45.100 -0.128 0.000 0.652 418 G HN 0.791 nan 8.290 nan 0.000 0.531 419 L N 1.524 122.515 121.223 -0.386 0.000 2.385 419 L HA 0.639 4.979 4.340 -0.000 0.000 0.281 419 L C 1.259 177.688 176.870 -0.735 0.000 1.106 419 L CA 0.298 54.652 54.840 -0.810 0.000 0.856 419 L CB 1.331 42.931 42.059 -0.765 0.000 1.186 419 L HN 0.009 nan 8.230 nan 0.000 0.453 420 V N 4.390 123.926 119.914 -0.629 0.000 2.922 420 V HA 0.442 4.562 4.120 -0.000 0.000 0.242 420 V C 1.044 176.973 176.094 -0.275 0.000 1.094 420 V CA 0.855 62.873 62.300 -0.470 0.000 1.106 420 V CB 0.217 31.826 31.823 -0.356 0.000 0.799 420 V HN 0.873 nan 8.190 nan 0.000 0.474 421 G N -1.263 107.446 108.800 -0.152 0.000 2.659 421 G HA2 0.621 4.581 3.960 -0.000 0.000 0.296 421 G HA3 0.621 4.581 3.960 -0.000 0.000 0.296 421 G C -1.893 173.307 174.900 0.500 0.000 1.369 421 G CA -0.398 44.900 45.100 0.331 0.000 0.937 421 G HN 0.007 nan 8.290 nan 0.000 0.485 422 F N 1.856 122.015 119.950 0.348 0.000 2.689 422 F HA 0.511 5.038 4.527 -0.000 0.000 0.332 422 F C -1.290 174.377 175.800 -0.222 0.000 1.209 422 F CA -1.122 56.912 58.000 0.056 0.000 1.028 422 F CB 1.347 40.391 39.000 0.073 0.000 1.291 422 F HN 0.251 nan 8.300 nan 0.000 0.500 423 L N 6.197 127.139 121.223 -0.468 0.000 2.280 423 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 423 L C -0.042 176.346 176.870 -0.803 0.000 1.023 423 L CA -0.158 54.043 54.840 -1.064 0.000 0.819 423 L CB 1.513 42.326 42.059 -2.077 0.000 1.212 423 L HN 0.639 nan 8.230 nan 0.000 0.420 424 S N 0.229 115.595 115.700 -0.556 0.000 4.341 424 S HA 0.142 4.612 4.470 -0.000 0.000 0.220 424 S C 1.020 175.684 174.600 0.106 0.000 1.133 424 S CA -0.033 58.002 58.200 -0.274 0.000 1.679 424 S CB 0.211 62.912 63.200 -0.831 0.000 1.237 424 S HN 0.801 nan 8.310 nan 0.000 0.744 425 H N 1.327 120.338 119.070 -0.099 0.000 2.389 425 H HA 0.333 4.889 4.556 -0.000 0.000 0.299 425 H C 0.884 176.208 175.328 -0.007 0.000 1.081 425 H CA 1.693 57.724 56.048 -0.028 0.000 1.345 425 H CB -0.278 29.457 29.762 -0.044 0.000 1.393 425 H HN 0.251 nan 8.280 nan 0.000 0.520 426 S N -0.052 115.679 115.700 0.051 0.000 2.510 426 S HA 0.522 4.992 4.470 -0.000 0.000 0.279 426 S C -0.665 173.966 174.600 0.053 0.000 1.284 426 S CA 0.025 58.248 58.200 0.038 0.000 1.059 426 S CB -0.068 63.166 63.200 0.056 0.000 0.901 426 S HN 0.596 nan 8.310 nan 0.000 0.491 427 A N 3.731 126.537 122.820 -0.022 0.000 2.604 427 A HA 0.726 5.046 4.320 -0.000 0.000 0.295 427 A C -0.083 177.473 177.584 -0.047 0.000 1.067 427 A CA -0.601 51.418 52.037 -0.030 0.000 0.683 427 A CB 1.151 20.025 19.000 -0.210 0.000 1.281 427 A HN 0.879 nan 8.150 nan 0.000 0.407 428 T N -1.381 113.162 114.554 -0.019 0.000 2.844 428 T HA 0.521 4.871 4.350 -0.000 0.000 0.274 428 T C 1.060 175.735 174.700 -0.041 0.000 0.991 428 T CA 0.046 62.135 62.100 -0.020 0.000 0.983 428 T CB 0.989 69.865 68.868 0.014 0.000 1.310 428 T HN 0.674 nan 8.240 nan 0.000 0.596 429 K N 0.551 120.933 120.400 -0.029 0.000 2.103 429 K HA -0.088 4.231 4.320 -0.000 0.000 0.207 429 K C 1.881 178.468 176.600 -0.022 0.000 1.048 429 K CA 2.470 58.736 56.287 -0.036 0.000 0.930 429 K CB -0.961 31.526 32.500 -0.022 0.000 0.716 429 K HN 0.841 nan 8.250 nan 0.000 0.444 430 T N -3.029 111.528 114.554 0.005 0.000 3.040 430 T HA 0.306 4.656 4.350 -0.000 0.000 0.266 430 T C -0.148 174.586 174.700 0.057 0.000 1.005 430 T CA -0.654 61.464 62.100 0.029 0.000 0.906 430 T CB 0.179 69.067 68.868 0.033 0.000 1.082 430 T HN 0.108 nan 8.240 nan 0.000 0.531 431 E N 0.037 120.273 120.200 0.058 0.000 2.340 431 E HA 0.361 4.711 4.350 -0.000 0.000 0.273 431 E C -1.911 174.776 176.600 0.145 0.000 0.891 431 E CA -0.916 55.549 56.400 0.109 0.000 0.757 431 E CB 1.826 31.589 29.700 0.105 0.000 1.231 431 E HN 0.196 nan 8.360 nan 0.000 0.439 432 W N 2.959 124.234 121.300 -0.042 0.000 2.376 432 W HA 0.274 4.934 4.660 -0.000 0.000 0.312 432 W C -0.549 175.905 176.519 -0.109 0.000 1.060 432 W CA -0.959 56.326 57.345 -0.100 0.000 1.221 432 W CB 0.751 30.132 29.460 -0.131 0.000 1.281 432 W HN 0.510 nan 8.180 nan 0.000 0.456 433 E N 3.085 123.413 120.200 0.214 0.000 2.259 433 E HA -0.002 4.348 4.350 -0.000 0.000 0.281 433 E C -0.514 176.058 176.600 -0.048 0.000 1.027 433 E CA -0.438 56.007 56.400 0.076 0.000 0.838 433 E CB 1.102 30.855 29.700 0.088 0.000 1.066 433 E HN 0.182 nan 8.360 nan 0.000 0.401 434 D N 2.157 122.583 120.400 0.044 0.000 2.401 434 D HA 0.034 4.674 4.640 -0.000 0.000 0.254 434 D C 0.637 176.978 176.300 0.069 0.000 1.192 434 D CA 0.053 54.122 54.000 0.115 0.000 0.885 434 D CB 1.229 42.249 40.800 0.366 0.000 1.147 434 D HN 0.499 nan 8.370 nan 0.000 0.478 435 A N 3.958 126.704 122.820 -0.123 0.000 2.019 435 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 435 A C 1.450 178.969 177.584 -0.109 0.000 1.164 435 A CA 1.075 52.892 52.037 -0.366 0.000 0.644 435 A CB -0.660 17.715 19.000 -1.040 0.000 0.805 435 A HN 0.743 nan 8.150 nan 0.000 0.449 436 Y N -1.266 119.205 120.300 0.284 0.000 2.490 436 Y HA 0.177 4.727 4.550 -0.000 0.000 0.281 436 Y C 0.939 177.195 175.900 0.593 0.000 1.174 436 Y CA 0.469 58.858 58.100 0.481 0.000 1.295 436 Y CB 0.002 38.613 38.460 0.252 0.000 1.062 436 Y HN 0.343 nan 8.280 nan 0.000 0.522 437 R N -2.638 118.162 120.500 0.500 0.000 3.875 437 R HA -0.265 4.075 4.340 -0.000 0.000 0.321 437 R C 0.552 177.211 176.300 0.598 0.000 1.196 437 R CA 0.748 57.121 56.100 0.454 0.000 0.868 437 R CB -2.625 27.873 30.300 0.330 0.000 1.333 437 R HN 0.434 nan 8.270 nan 0.000 0.522 438 C N -1.326 118.327 119.300 0.588 0.000 2.464 438 C HA 0.249 4.709 4.460 -0.000 0.000 0.348 438 C C 0.819 176.008 174.990 0.331 0.000 1.367 438 C CA 0.238 59.577 59.018 0.535 0.000 2.012 438 C CB 0.757 28.824 27.740 0.544 0.000 2.434 438 C HN 0.255 nan 8.230 nan 0.000 0.536 439 V N 3.101 123.228 119.914 0.356 0.000 2.509 439 V HA 0.349 4.469 4.120 -0.000 0.000 0.289 439 V C -1.250 175.134 176.094 0.483 0.000 1.026 439 V CA -0.497 61.981 62.300 0.297 0.000 0.872 439 V CB 1.115 32.947 31.823 0.015 0.000 1.017 439 V HN 0.352 nan 8.190 nan 0.000 0.436 440 N N 2.406 121.296 118.700 0.316 0.000 2.408 440 N HA 0.716 5.456 4.740 -0.000 0.000 0.260 440 N C 0.073 175.725 175.510 0.236 0.000 1.242 440 N CA -0.180 53.008 53.050 0.230 0.000 0.959 440 N CB 1.652 40.240 38.487 0.168 0.000 1.201 440 N HN 0.835 nan 8.380 nan 0.000 0.511 441 A N -0.043 122.814 122.820 0.063 0.000 2.317 441 A HA 0.533 4.853 4.320 -0.000 0.000 0.327 441 A C 0.108 177.795 177.584 0.171 0.000 1.178 441 A CA -0.687 51.415 52.037 0.108 0.000 0.817 441 A CB 0.255 19.193 19.000 -0.103 0.000 1.189 441 A HN 0.643 nan 8.150 nan 0.000 0.489 442 S N 1.222 117.023 115.700 0.169 0.000 2.592 442 S HA 0.662 5.132 4.470 -0.000 0.000 0.271 442 S C 0.276 174.973 174.600 0.161 0.000 1.326 442 S CA 0.229 58.512 58.200 0.139 0.000 1.024 442 S CB 0.925 64.185 63.200 0.099 0.000 0.921 442 S HN 1.480 nan 8.310 nan 0.000 0.527 443 T N -2.222 112.419 114.554 0.144 0.000 2.901 443 T HA 0.847 5.197 4.350 -0.000 0.000 0.293 443 T C -0.742 174.035 174.700 0.129 0.000 1.084 443 T CA -0.736 61.471 62.100 0.179 0.000 1.008 443 T CB 1.508 70.494 68.868 0.197 0.000 1.170 443 T HN 1.438 nan 8.240 nan 0.000 0.509 444 A N 1.357 124.275 122.820 0.163 0.000 2.549 444 A HA 0.735 5.055 4.320 -0.000 0.000 0.297 444 A C -0.225 177.453 177.584 0.157 0.000 1.061 444 A CA -0.990 51.117 52.037 0.117 0.000 0.690 444 A CB 0.707 19.758 19.000 0.085 0.000 1.287 444 A HN 1.036 nan 8.150 nan 0.000 0.402 445 N N -1.151 117.601 118.700 0.087 0.000 2.727 445 N HA -0.173 4.566 4.740 -0.000 0.000 0.249 445 N C -0.101 175.439 175.510 0.049 0.000 1.048 445 N CA 1.342 54.434 53.050 0.070 0.000 0.714 445 N CB -1.345 37.200 38.487 0.096 0.000 0.959 445 N HN 1.459 nan 8.380 nan 0.000 0.544 446 A N 0.018 122.811 122.820 -0.045 0.000 2.317 446 A HA 0.581 4.900 4.320 -0.000 0.000 0.327 446 A C 0.194 177.594 177.584 -0.308 0.000 1.178 446 A CA -0.638 51.220 52.037 -0.298 0.000 0.817 446 A CB 1.275 20.048 19.000 -0.379 0.000 1.189 446 A HN 0.262 nan 8.150 nan 0.000 0.489 447 E N 2.703 122.671 120.200 -0.386 0.000 2.158 447 E HA 0.345 4.695 4.350 -0.000 0.000 0.271 447 E C -0.563 175.813 176.600 -0.373 0.000 0.911 447 E CA -0.694 55.527 56.400 -0.298 0.000 0.767 447 E CB 0.793 30.358 29.700 -0.225 0.000 1.120 447 E HN 0.650 nan 8.360 nan 0.000 0.405 448 R N 2.418 122.728 120.500 -0.317 0.000 2.449 448 R HA 0.178 4.517 4.340 -0.000 0.000 0.296 448 R C 0.084 176.218 176.300 -0.277 0.000 1.047 448 R CA -0.053 55.839 56.100 -0.347 0.000 1.018 448 R CB 0.641 30.761 30.300 -0.301 0.000 0.962 448 R HN 0.427 nan 8.270 nan 0.000 0.428 449 V N 0.704 120.446 119.914 -0.287 0.000 3.158 449 V HA 0.566 4.685 4.120 -0.000 0.000 0.311 449 V C -2.625 173.407 176.094 -0.104 0.000 1.181 449 V CA -3.225 58.978 62.300 -0.161 0.000 1.054 449 V CB 1.946 33.691 31.823 -0.130 0.000 1.085 449 V HN 0.513 nan 8.190 nan 0.000 0.446 450 P HA 0.219 nan 4.420 nan 0.000 0.260 450 P C -0.049 177.365 177.300 0.191 0.000 1.185 450 P CA 0.768 63.988 63.100 0.199 0.000 0.763 450 P CB -0.145 31.628 31.700 0.122 0.000 0.776 451 N N 1.303 120.219 118.700 0.361 0.000 2.753 451 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 451 N C 0.584 176.197 175.510 0.173 0.000 1.097 451 N CA 1.793 54.976 53.050 0.223 0.000 0.786 451 N CB -1.407 37.191 38.487 0.185 0.000 1.137 451 N HN 0.709 nan 8.380 nan 0.000 0.566 452 G N -1.433 107.384 108.800 0.029 0.000 2.392 452 G HA2 0.540 4.500 3.960 -0.000 0.000 0.260 452 G HA3 0.540 4.500 3.960 -0.000 0.000 0.260 452 G C -1.838 172.763 174.900 -0.498 0.000 1.226 452 G CA -0.609 44.470 45.100 -0.036 0.000 0.913 452 G HN 0.105 nan 8.290 nan 0.000 0.483 453 L N 0.162 120.962 121.223 -0.704 0.000 2.409 453 L HA 0.642 4.982 4.340 -0.000 0.000 0.262 453 L C -0.537 175.847 176.870 -0.810 0.000 0.992 453 L CA -0.853 53.409 54.840 -0.963 0.000 0.817 453 L CB 2.719 43.829 42.059 -1.581 0.000 1.350 453 L HN 0.595 nan 8.230 nan 0.000 0.411 454 K N 1.982 121.955 120.400 -0.711 0.000 2.307 454 K HA 0.634 4.954 4.320 -0.000 0.000 0.263 454 K C -1.607 174.681 176.600 -0.520 0.000 0.973 454 K CA -0.351 55.694 56.287 -0.403 0.000 0.846 454 K CB 0.970 33.346 32.500 -0.207 0.000 1.100 454 K HN 0.294 nan 8.250 nan 0.000 0.438 455 F N 2.043 121.980 119.950 -0.022 0.000 2.507 455 F HA 0.742 5.269 4.527 -0.000 0.000 0.327 455 F C 0.172 175.986 175.800 0.023 0.000 1.068 455 F CA -0.724 57.266 58.000 -0.016 0.000 0.965 455 F CB 2.277 41.274 39.000 -0.004 0.000 1.192 455 F HN 0.577 nan 8.300 nan 0.000 0.476 456 A N 1.029 123.974 122.820 0.207 0.000 2.604 456 A HA 0.790 5.109 4.320 -0.000 0.000 0.295 456 A C -0.417 177.230 177.584 0.105 0.000 1.067 456 A CA -0.269 51.848 52.037 0.134 0.000 0.683 456 A CB 1.210 20.256 19.000 0.078 0.000 1.281 456 A HN 1.831 nan 8.150 nan 0.000 0.407 457 G N -0.755 108.095 108.800 0.084 0.000 2.712 457 G HA2 0.297 4.257 3.960 -0.000 0.000 0.686 457 G HA3 0.297 4.257 3.960 -0.000 0.000 0.686 457 G C -0.364 174.572 174.900 0.060 0.000 1.321 457 G CA -0.498 44.640 45.100 0.063 0.000 0.813 457 G HN 1.826 nan 8.290 nan 0.000 0.599 458 V N 1.996 121.939 119.914 0.048 0.000 2.599 458 V HA 0.405 4.525 4.120 -0.000 0.000 0.300 458 V C 1.995 178.119 176.094 0.049 0.000 1.034 458 V CA 2.316 64.644 62.300 0.047 0.000 1.115 458 V CB 0.565 32.409 31.823 0.036 0.000 0.934 458 V HN 2.836 nan 8.190 nan 0.000 0.485 459 G N 3.619 112.453 108.800 0.056 0.000 2.195 459 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.246 459 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.246 459 G C 0.561 175.498 174.900 0.062 0.000 0.984 459 G CA -0.049 45.083 45.100 0.054 0.000 0.633 459 G HN 1.353 nan 8.290 nan 0.000 0.525 460 G N -0.396 108.445 108.800 0.069 0.000 2.572 460 G HA2 0.791 4.751 3.960 -0.000 0.000 0.261 460 G HA3 0.791 4.751 3.960 -0.000 0.000 0.261 460 G C 0.650 175.551 174.900 0.002 0.000 1.197 460 G CA 1.034 46.191 45.100 0.096 0.000 0.870 460 G HN 1.910 nan 8.290 nan 0.000 0.548 461 G N -1.469 107.295 108.800 -0.060 0.000 2.334 461 G HA2 0.540 4.500 3.960 -0.000 0.000 0.315 461 G HA3 0.540 4.500 3.960 -0.000 0.000 0.315 461 G C -0.712 174.009 174.900 -0.299 0.000 1.284 461 G CA -0.030 44.719 45.100 -0.584 0.000 0.985 461 G HN 1.966 nan 8.290 nan 0.000 0.504 462 A N -0.883 121.775 122.820 -0.269 0.000 2.401 462 A HA 0.901 5.221 4.320 -0.000 0.000 0.310 462 A C -0.808 176.885 177.584 0.182 0.000 1.075 462 A CA -0.326 51.779 52.037 0.113 0.000 0.746 462 A CB 1.877 21.105 19.000 0.379 0.000 1.277 462 A HN 2.010 nan 8.150 nan 0.000 0.425 463 L N 1.738 123.088 121.223 0.211 0.000 2.372 463 L HA 0.599 4.939 4.340 -0.000 0.000 0.274 463 L C -1.745 175.333 176.870 0.347 0.000 0.988 463 L CA -0.456 54.537 54.840 0.255 0.000 0.833 463 L CB 1.075 43.179 42.059 0.075 0.000 1.236 463 L HN 0.799 nan 8.230 nan 0.000 0.410 464 W N 8.925 130.379 121.300 0.258 0.000 2.288 464 W HA 0.446 5.106 4.660 -0.000 0.000 0.325 464 W C -2.303 174.370 176.519 0.256 0.000 1.019 464 W CA -2.848 54.660 57.345 0.272 0.000 1.403 464 W CB 0.868 30.537 29.460 0.348 0.000 1.226 464 W HN 0.316 nan 8.180 nan 0.000 0.391 465 P HA 0.034 nan 4.420 nan 0.000 0.271 465 P C 0.090 177.384 177.300 -0.010 0.000 1.216 465 P CA 0.369 63.552 63.100 0.138 0.000 0.771 465 P CB 2.281 34.025 31.700 0.075 0.000 0.864 466 V N 2.785 122.644 119.914 -0.091 0.000 3.945 466 V HA -0.049 4.071 4.120 -0.000 0.000 0.196 466 V C 2.519 178.514 176.094 -0.165 0.000 1.110 466 V CA 1.469 63.645 62.300 -0.207 0.000 1.411 466 V CB -1.180 30.383 31.823 -0.433 0.000 1.707 466 V HN 0.611 nan 8.190 nan 0.000 0.477 467 S N -0.113 115.496 115.700 -0.151 0.000 2.442 467 S HA -0.211 4.259 4.470 -0.000 0.000 0.236 467 S C 1.660 176.226 174.600 -0.057 0.000 1.007 467 S CA 1.132 59.276 58.200 -0.094 0.000 0.965 467 S CB -0.437 62.713 63.200 -0.082 0.000 0.773 467 S HN 0.544 nan 8.310 nan 0.000 0.504 468 Q N 1.215 120.993 119.800 -0.038 0.000 2.500 468 Q HA 0.008 4.348 4.340 -0.000 0.000 0.213 468 Q C 1.931 177.919 176.000 -0.020 0.000 0.974 468 Q CA 0.817 56.609 55.803 -0.017 0.000 0.918 468 Q CB -0.555 28.183 28.738 -0.000 0.000 0.980 468 Q HN 0.772 nan 8.270 nan 0.000 0.505 469 Q N -0.404 119.368 119.800 -0.045 0.000 2.291 469 Q HA -0.032 4.308 4.340 -0.000 0.000 0.206 469 Q C 0.966 176.961 176.000 -0.008 0.000 0.976 469 Q CA 0.713 56.493 55.803 -0.039 0.000 0.875 469 Q CB 0.078 28.754 28.738 -0.104 0.000 0.927 469 Q HN 0.484 nan 8.270 nan 0.000 0.450 470 G N 0.708 109.498 108.800 -0.017 0.000 2.603 470 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.245 470 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.245 470 G C 0.413 175.315 174.900 0.004 0.000 1.195 470 G CA 0.284 45.384 45.100 -0.001 0.000 0.953 470 G HN 0.340 nan 8.290 nan 0.000 0.566 471 Q N 0.695 120.521 119.800 0.043 0.000 2.096 471 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 471 Q C 0.774 176.788 176.000 0.023 0.000 0.982 471 Q CA 1.875 57.713 55.803 0.060 0.000 0.850 471 Q CB -0.197 28.627 28.738 0.143 0.000 0.901 471 Q HN 0.620 nan 8.270 nan 0.000 0.422 472 N N 0.790 119.509 118.700 0.032 0.000 2.443 472 N HA 0.216 4.956 4.740 -0.000 0.000 0.269 472 N C -1.694 173.712 175.510 -0.172 0.000 0.985 472 N CA -0.243 52.745 53.050 -0.105 0.000 0.921 472 N CB 1.651 40.125 38.487 -0.022 0.000 1.195 472 N HN 0.077 nan 8.380 nan 0.000 0.492 473 Q N 1.776 121.409 119.800 -0.278 0.000 2.508 473 Q HA 0.259 4.599 4.340 -0.000 0.000 0.247 473 Q C 0.372 176.202 176.000 -0.283 0.000 1.047 473 Q CA -0.333 55.334 55.803 -0.225 0.000 0.783 473 Q CB 1.210 29.872 28.738 -0.128 0.000 1.172 473 Q HN 0.471 nan 8.270 nan 0.000 0.515 474 R N 0.570 120.897 120.500 -0.289 0.000 2.189 474 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 474 R C 0.625 176.945 176.300 0.033 0.000 1.092 474 R CA 1.114 57.090 56.100 -0.208 0.000 0.989 474 R CB 0.287 30.488 30.300 -0.164 0.000 0.876 474 R HN 0.586 nan 8.270 nan 0.000 0.457 475 Y N -0.617 119.503 120.300 -0.300 0.000 2.658 475 Y HA 0.071 4.621 4.550 -0.000 0.000 0.276 475 Y C 1.848 177.265 175.900 -0.805 0.000 1.167 475 Y CA -0.655 57.031 58.100 -0.690 0.000 1.230 475 Y CB 0.185 38.272 38.460 -0.621 0.000 1.144 475 Y HN 0.208 nan 8.280 nan 0.000 0.529 476 H N 1.226 120.092 119.070 -0.341 0.000 2.457 476 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 476 H C 1.801 177.025 175.328 -0.172 0.000 1.092 476 H CA 2.020 57.917 56.048 -0.252 0.000 1.309 476 H CB -0.156 29.498 29.762 -0.180 0.000 1.382 476 H HN 0.616 nan 8.280 nan 0.000 0.535 477 F N 0.086 120.084 119.950 0.080 0.000 2.236 477 F HA -0.103 4.423 4.527 -0.000 0.000 0.302 477 F C 2.562 178.421 175.800 0.099 0.000 1.073 477 F CA 0.907 58.967 58.000 0.100 0.000 1.336 477 F CB -0.829 38.186 39.000 0.024 0.000 1.040 477 F HN 0.098 nan 8.300 nan 0.000 0.507 478 A N 1.250 123.778 122.820 -0.486 0.000 2.019 478 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 478 A C 1.949 179.554 177.584 0.034 0.000 1.164 478 A CA 1.651 53.624 52.037 -0.107 0.000 0.644 478 A CB -0.916 17.789 19.000 -0.491 0.000 0.805 478 A HN 0.558 nan 8.150 nan 0.000 0.449 479 N N -0.658 117.913 118.700 -0.215 0.000 2.520 479 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 479 N C 1.117 176.411 175.510 -0.360 0.000 1.068 479 N CA 1.082 53.940 53.050 -0.320 0.000 0.911 479 N CB -0.267 37.877 38.487 -0.572 0.000 0.961 479 N HN 0.695 nan 8.380 nan 0.000 0.446 480 H N -0.634 118.463 119.070 0.046 0.000 2.481 480 H HA 0.465 5.021 4.556 -0.000 0.000 0.291 480 H C 0.408 175.792 175.328 0.093 0.000 1.009 480 H CA 0.501 56.590 56.048 0.069 0.000 1.282 480 H CB 0.977 30.786 29.762 0.078 0.000 1.457 480 H HN 0.064 nan 8.280 nan 0.000 0.525 481 A N 0.663 123.657 122.820 0.291 0.000 2.577 481 A HA 0.493 4.813 4.320 -0.000 0.000 0.297 481 A C -1.744 176.061 177.584 0.367 0.000 1.060 481 A CA -0.600 51.551 52.037 0.191 0.000 0.697 481 A CB 1.091 20.156 19.000 0.108 0.000 1.281 481 A HN 0.237 nan 8.150 nan 0.000 0.402 482 F N -1.263 118.767 119.950 0.134 0.000 2.741 482 F HA 0.851 5.378 4.527 0.000 0.000 0.311 482 F C -0.853 174.979 175.800 0.053 0.000 1.149 482 F CA -0.630 57.458 58.000 0.146 0.000 0.930 482 F CB 1.247 40.375 39.000 0.213 0.000 1.312 482 F HN 0.445 nan 8.300 nan 0.000 0.450 483 T N 3.135 117.848 114.554 0.266 0.000 2.841 483 T HA 0.633 4.983 4.350 -0.000 0.000 0.285 483 T C -1.788 173.064 174.700 0.252 0.000 0.991 483 T CA -0.387 61.797 62.100 0.140 0.000 0.966 483 T CB 1.554 70.412 68.868 -0.017 0.000 0.962 483 T HN 0.776 nan 8.240 nan 0.000 0.438 484 L N 4.827 126.169 121.223 0.198 0.000 2.333 484 L HA 0.802 5.142 4.340 -0.000 0.000 0.280 484 L C -1.191 175.679 176.870 -0.000 0.000 1.004 484 L CA -0.501 54.350 54.840 0.017 0.000 0.820 484 L CB 1.383 43.363 42.059 -0.132 0.000 1.247 484 L HN 0.476 nan 8.230 nan 0.000 0.416 485 V N 4.029 123.943 119.914 0.000 0.000 2.735 485 V HA 1.011 5.131 4.120 -0.000 0.000 0.310 485 V C -0.268 175.797 176.094 -0.048 0.000 1.061 485 V CA -0.208 62.060 62.300 -0.054 0.000 0.913 485 V CB 1.354 33.189 31.823 0.020 0.000 1.005 485 V HN 1.005 nan 8.190 nan 0.000 0.428 486 A N 2.575 125.321 122.820 -0.125 0.000 2.612 486 A HA 0.837 5.157 4.320 -0.000 0.000 0.293 486 A C -0.791 176.784 177.584 -0.015 0.000 1.075 486 A CA -0.551 51.476 52.037 -0.016 0.000 0.680 486 A CB 1.902 20.914 19.000 0.021 0.000 1.279 486 A HN 0.643 nan 8.150 nan 0.000 0.411 487 S N 0.048 115.818 115.700 0.116 0.000 2.451 487 S HA 0.698 5.168 4.470 -0.000 0.000 0.301 487 S C -0.160 174.528 174.600 0.147 0.000 1.116 487 S CA -0.206 58.094 58.200 0.167 0.000 1.093 487 S CB 1.176 64.503 63.200 0.212 0.000 1.017 487 S HN 1.817 nan 8.310 nan 0.000 0.482 488 V N 0.776 120.777 119.914 0.145 0.000 3.007 488 V HA 0.912 5.032 4.120 -0.000 0.000 0.311 488 V C -0.716 175.435 176.094 0.094 0.000 1.120 488 V CA -0.570 61.796 62.300 0.109 0.000 0.980 488 V CB 2.026 33.894 31.823 0.074 0.000 1.033 488 V HN 0.690 nan 8.190 nan 0.000 0.429 489 T N 4.211 118.745 114.554 -0.033 0.000 2.928 489 T HA 0.640 4.990 4.350 -0.000 0.000 0.296 489 T C -0.586 173.835 174.700 -0.465 0.000 1.000 489 T CA -0.117 61.891 62.100 -0.154 0.000 0.989 489 T CB 1.282 70.075 68.868 -0.124 0.000 1.005 489 T HN 0.708 nan 8.240 nan 0.000 0.442 490 I N 3.477 123.780 120.570 -0.444 0.000 2.342 490 I HA 0.277 4.446 4.170 -0.000 0.000 0.291 490 I C 1.070 176.957 176.117 -0.383 0.000 1.010 490 I CA -0.578 60.367 61.300 -0.592 0.000 1.308 490 I CB 0.932 38.366 38.000 -0.944 0.000 1.400 490 I HN 0.754 nan 8.210 nan 0.000 0.488 491 H N 4.115 123.168 119.070 -0.029 0.000 2.654 491 H HA 0.266 4.822 4.556 -0.000 0.000 0.264 491 H C 0.018 175.393 175.328 0.078 0.000 0.954 491 H CA 0.244 56.316 56.048 0.040 0.000 1.199 491 H CB 0.689 30.471 29.762 0.032 0.000 1.446 491 H HN 0.586 nan 8.280 nan 0.000 0.516 492 E N 0.714 121.020 120.200 0.176 0.000 2.321 492 E HA 0.327 4.677 4.350 -0.000 0.000 0.278 492 E C -1.160 175.574 176.600 0.222 0.000 0.902 492 E CA -0.589 55.922 56.400 0.184 0.000 0.758 492 E CB 2.446 32.242 29.700 0.159 0.000 1.213 492 E HN -0.195 nan 8.360 nan 0.000 0.426 493 V N 5.502 125.542 119.914 0.210 0.000 2.529 493 V HA 0.210 4.330 4.120 -0.000 0.000 0.292 493 V C -1.732 174.459 176.094 0.163 0.000 1.028 493 V CA -0.840 61.581 62.300 0.202 0.000 1.074 493 V CB 0.209 32.068 31.823 0.060 0.000 0.958 493 V HN 0.643 nan 8.190 nan 0.000 0.481 494 P HA 0.317 nan 4.420 nan 0.000 0.279 494 P C 0.179 177.497 177.300 0.030 0.000 1.252 494 P CA -0.687 62.455 63.100 0.070 0.000 0.811 494 P CB 1.295 32.963 31.700 -0.052 0.000 1.035 495 K N -0.107 120.301 120.400 0.013 0.000 2.288 495 K HA 0.161 4.481 4.320 -0.000 0.000 0.201 495 K C 1.159 177.755 176.600 -0.006 0.000 1.048 495 K CA 0.856 57.148 56.287 0.009 0.000 0.956 495 K CB -0.101 32.405 32.500 0.011 0.000 0.746 495 K HN 0.695 nan 8.250 nan 0.000 0.461 496 G N -0.325 108.457 108.800 -0.030 0.000 2.608 496 G HA2 0.477 4.437 3.960 -0.000 0.000 0.291 496 G HA3 0.477 4.437 3.960 -0.000 0.000 0.291 496 G C -1.599 173.243 174.900 -0.096 0.000 1.425 496 G CA -0.600 44.476 45.100 -0.041 0.000 0.787 496 G HN 0.084 nan 8.290 nan 0.000 0.484 497 A N 0.238 123.008 122.820 -0.084 0.000 2.591 497 A HA 0.475 4.795 4.320 -0.000 0.000 0.244 497 A C 0.674 178.123 177.584 -0.225 0.000 1.031 497 A CA 1.035 52.989 52.037 -0.139 0.000 0.767 497 A CB -0.351 18.617 19.000 -0.054 0.000 0.942 497 A HN 1.233 nan 8.150 nan 0.000 0.514 498 S N 4.443 119.850 115.700 -0.487 0.000 2.542 498 S HA 0.719 5.189 4.470 -0.000 0.000 0.293 498 S C -2.737 171.582 174.600 -0.468 0.000 1.089 498 S CA -1.024 56.866 58.200 -0.517 0.000 0.961 498 S CB 2.031 64.833 63.200 -0.663 0.000 1.062 498 S HN 0.709 nan 8.310 nan 0.000 0.483 499 P HA 0.306 nan 4.420 nan 0.000 0.278 499 P C -0.171 177.163 177.300 0.057 0.000 1.238 499 P CA -0.410 62.570 63.100 -0.201 0.000 0.794 499 P CB 1.240 32.485 31.700 -0.758 0.000 0.955 500 L N 1.341 122.682 121.223 0.197 0.000 2.586 500 L HA 0.345 4.685 4.340 -0.000 0.000 0.204 500 L C 0.203 177.127 176.870 0.090 0.000 1.053 500 L CA 0.257 55.198 54.840 0.169 0.000 0.856 500 L CB 0.477 42.638 42.059 0.171 0.000 1.192 500 L HN 0.272 nan 8.230 nan 0.000 0.484 501 L N -0.718 120.531 121.223 0.043 0.000 2.591 501 L HA 0.731 5.070 4.340 -0.000 0.000 0.257 501 L C -0.995 175.613 176.870 -0.436 0.000 0.935 501 L CA 0.104 54.837 54.840 -0.178 0.000 0.873 501 L CB 1.953 43.950 42.059 -0.103 0.000 1.397 501 L HN 0.030 nan 8.230 nan 0.000 0.414 502 G N 2.118 110.355 108.800 -0.939 0.000 2.349 502 G HA2 0.694 4.654 3.960 -0.000 0.000 0.294 502 G HA3 0.694 4.654 3.960 -0.000 0.000 0.294 502 G C -2.100 172.502 174.900 -0.497 0.000 1.380 502 G CA -0.155 44.514 45.100 -0.718 0.000 0.811 502 G HN 0.956 nan 8.290 nan 0.000 0.519 503 A N -0.059 122.710 122.820 -0.086 0.000 2.287 503 A HA 0.809 5.129 4.320 -0.000 0.000 0.317 503 A C 0.136 177.683 177.584 -0.062 0.000 1.220 503 A CA 0.038 52.013 52.037 -0.103 0.000 0.835 503 A CB 1.300 20.264 19.000 -0.060 0.000 1.180 503 A HN 1.626 nan 8.150 nan 0.000 0.500 504 S N 2.151 117.728 115.700 -0.204 0.000 2.489 504 S HA 0.503 4.973 4.470 -0.000 0.000 0.291 504 S C 0.833 175.286 174.600 -0.244 0.000 1.151 504 S CA -0.683 57.408 58.200 -0.182 0.000 1.082 504 S CB 0.464 63.441 63.200 -0.372 0.000 1.019 504 S HN 0.591 nan 8.310 nan 0.000 0.492 505 L N 2.684 123.828 121.223 -0.131 0.000 2.341 505 L HA 0.180 4.520 4.340 -0.000 0.000 0.214 505 L C 0.918 177.737 176.870 -0.085 0.000 1.115 505 L CA 0.403 55.175 54.840 -0.113 0.000 0.820 505 L CB -0.159 41.856 42.059 -0.073 0.000 0.944 505 L HN 0.698 nan 8.230 nan 0.000 0.452 506 D N -1.986 118.376 120.400 -0.063 0.000 2.525 506 D HA 0.077 4.717 4.640 -0.000 0.000 0.249 506 D C 0.901 177.241 176.300 0.066 0.000 1.072 506 D CA 0.134 54.122 54.000 -0.019 0.000 1.067 506 D CB 1.233 42.012 40.800 -0.035 0.000 1.282 506 D HN -0.095 nan 8.370 nan 0.000 0.587 507 S N -0.478 115.261 115.700 0.065 0.000 2.428 507 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 507 S C 1.838 176.498 174.600 0.100 0.000 1.014 507 S CA 1.389 59.651 58.200 0.103 0.000 0.957 507 S CB -0.714 62.492 63.200 0.010 0.000 0.784 507 S HN 0.584 nan 8.310 nan 0.000 0.499 508 S N 0.792 116.497 115.700 0.008 0.000 2.425 508 S HA 0.405 4.875 4.470 -0.000 0.000 0.225 508 S C 1.835 176.319 174.600 -0.194 0.000 1.024 508 S CA 0.882 59.022 58.200 -0.101 0.000 0.951 508 S CB -0.717 62.384 63.200 -0.166 0.000 0.796 508 S HN 1.485 nan 8.310 nan 0.000 0.498 509 G N 0.067 108.779 108.800 -0.147 0.000 2.218 509 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 509 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 509 G C 0.999 175.660 174.900 -0.397 0.000 0.994 509 G CA 0.109 45.029 45.100 -0.301 0.000 0.637 509 G HN 1.006 nan 8.290 nan 0.000 0.505 510 G N 0.068 108.655 108.800 -0.355 0.000 2.443 510 G HA2 0.139 4.099 3.960 -0.000 0.000 0.219 510 G HA3 0.139 4.099 3.960 -0.000 0.000 0.219 510 G C 0.766 175.593 174.900 -0.122 0.000 1.131 510 G CA 1.319 46.268 45.100 -0.251 0.000 0.775 510 G HN 0.594 nan 8.290 nan 0.000 0.547 511 K N 1.016 121.361 120.400 -0.092 0.000 2.404 511 K HA 0.339 4.659 4.320 -0.000 0.000 0.257 511 K C -0.498 176.086 176.600 -0.027 0.000 1.026 511 K CA -0.446 55.812 56.287 -0.048 0.000 0.951 511 K CB 0.399 32.871 32.500 -0.047 0.000 1.203 511 K HN 0.035 nan 8.250 nan 0.000 0.446 512 K N 3.289 123.695 120.400 0.010 0.000 2.098 512 K HA 0.180 4.499 4.320 -0.000 0.000 0.258 512 K C 0.626 177.249 176.600 0.039 0.000 0.973 512 K CA -0.668 55.651 56.287 0.053 0.000 0.898 512 K CB 1.540 34.108 32.500 0.114 0.000 1.057 512 K HN 0.322 nan 8.250 nan 0.000 0.447 513 L N 2.032 123.282 121.223 0.044 0.000 2.189 513 L HA 0.285 4.625 4.340 -0.000 0.000 0.199 513 L C -0.456 176.467 176.870 0.088 0.000 1.074 513 L CA 1.221 56.094 54.840 0.055 0.000 0.783 513 L CB 0.301 42.390 42.059 0.050 0.000 0.955 513 L HN 0.548 nan 8.230 nan 0.000 0.460 514 L N -0.172 121.116 121.223 0.107 0.000 2.588 514 L HA 0.761 5.101 4.340 -0.000 0.000 0.263 514 L C -0.742 176.160 176.870 0.052 0.000 0.935 514 L CA 0.388 55.270 54.840 0.071 0.000 0.891 514 L CB 1.420 43.563 42.059 0.141 0.000 1.318 514 L HN 0.159 nan 8.230 nan 0.000 0.409 515 G N 3.062 111.842 108.800 -0.034 0.000 2.660 515 G HA2 0.620 4.580 3.960 -0.000 0.000 0.290 515 G HA3 0.620 4.580 3.960 -0.000 0.000 0.290 515 G C -2.572 172.298 174.900 -0.049 0.000 1.432 515 G CA -0.696 44.411 45.100 0.012 0.000 0.807 515 G HN 0.734 nan 8.290 nan 0.000 0.485 516 L N 0.588 121.815 121.223 0.007 0.000 2.376 516 L HA 0.829 5.169 4.340 -0.000 0.000 0.275 516 L C -0.153 176.796 176.870 0.133 0.000 0.987 516 L CA -0.206 54.642 54.840 0.014 0.000 0.828 516 L CB 1.871 43.882 42.059 -0.079 0.000 1.249 516 L HN 0.539 nan 8.230 nan 0.000 0.409 517 S N 2.714 118.513 115.700 0.166 0.000 2.715 517 S HA 0.808 5.278 4.470 -0.000 0.000 0.307 517 S C -1.535 173.250 174.600 0.307 0.000 1.119 517 S CA -0.342 57.958 58.200 0.168 0.000 0.937 517 S CB 1.656 64.882 63.200 0.044 0.000 1.150 517 S HN 0.571 nan 8.310 nan 0.000 0.521 518 Y N -0.374 119.966 120.300 0.067 0.000 2.534 518 Y HA 0.790 5.340 4.550 -0.000 0.000 0.345 518 Y C -1.046 174.920 175.900 0.110 0.000 1.031 518 Y CA -1.228 56.893 58.100 0.035 0.000 1.022 518 Y CB 0.841 39.028 38.460 -0.454 0.000 1.292 518 Y HN 0.670 nan 8.280 nan 0.000 0.459 519 D N 0.341 120.922 120.400 0.301 0.000 2.654 519 D HA 0.257 4.897 4.640 -0.000 0.000 0.255 519 D C 0.145 176.538 176.300 0.155 0.000 1.101 519 D CA -1.048 53.028 54.000 0.125 0.000 1.116 519 D CB 1.294 42.136 40.800 0.071 0.000 1.348 519 D HN 0.702 nan 8.370 nan 0.000 0.609 520 K N -0.907 119.517 120.400 0.040 0.000 2.504 520 K HA 0.062 4.382 4.320 -0.000 0.000 0.195 520 K C 0.752 177.331 176.600 -0.035 0.000 1.036 520 K CA 0.513 56.800 56.287 0.001 0.000 0.984 520 K CB -0.041 32.464 32.500 0.009 0.000 0.788 520 K HN 0.217 nan 8.250 nan 0.000 0.488 521 R N 0.486 120.965 120.500 -0.035 0.000 2.552 521 R HA 0.126 4.465 4.340 -0.000 0.000 0.314 521 R C -0.705 175.526 176.300 -0.116 0.000 1.041 521 R CA -0.270 55.814 56.100 -0.027 0.000 1.076 521 R CB -0.294 29.994 30.300 -0.020 0.000 1.290 521 R HN 0.329 nan 8.270 nan 0.000 0.563 522 H N 0.020 118.778 119.070 -0.520 0.000 2.820 522 H HA -0.180 4.376 4.556 -0.000 0.000 0.295 522 H C -0.489 174.160 175.328 -1.132 0.000 1.187 522 H CA 0.831 56.056 56.048 -1.372 0.000 1.144 522 H CB -1.367 27.700 29.762 -1.160 0.000 1.354 522 H HN 0.365 nan 8.280 nan 0.000 0.395 523 Q N -0.860 118.764 119.800 -0.294 0.000 2.351 523 Q HA 0.346 4.686 4.340 -0.000 0.000 0.273 523 Q C -0.181 175.962 176.000 0.238 0.000 1.077 523 Q CA -0.940 54.825 55.803 -0.063 0.000 0.843 523 Q CB 1.662 30.412 28.738 0.021 0.000 1.367 523 Q HN 0.326 nan 8.270 nan 0.000 0.449 524 W N 1.123 122.618 121.300 0.325 0.000 2.251 524 W HA 0.249 4.909 4.660 -0.000 0.000 0.329 524 W C 0.143 176.741 176.519 0.132 0.000 1.234 524 W CA -0.326 57.150 57.345 0.218 0.000 1.228 524 W CB 0.872 30.399 29.460 0.111 0.000 1.135 524 W HN 0.281 nan 8.180 nan 0.000 0.576 525 Q N 3.726 123.752 119.800 0.376 0.000 2.558 525 Q HA 0.237 4.577 4.340 -0.000 0.000 0.252 525 Q C -2.366 173.697 176.000 0.105 0.000 1.015 525 Q CA -1.988 53.933 55.803 0.197 0.000 0.720 525 Q CB 1.664 30.483 28.738 0.136 0.000 1.215 525 Q HN -0.018 nan 8.270 nan 0.000 0.500 526 P HA 0.250 nan 4.420 nan 0.000 0.280 526 P C -0.594 176.499 177.300 -0.346 0.000 1.244 526 P CA -0.076 62.901 63.100 -0.206 0.000 0.784 526 P CB 0.986 32.557 31.700 -0.215 0.000 0.913 527 I N 3.704 124.010 120.570 -0.441 0.000 2.382 527 I HA 0.300 4.470 4.170 -0.000 0.000 0.286 527 I C -0.531 175.329 176.117 -0.428 0.000 1.002 527 I CA -0.813 60.314 61.300 -0.288 0.000 1.135 527 I CB 1.090 39.052 38.000 -0.064 0.000 1.288 527 I HN 0.271 nan 8.210 nan 0.000 0.448 528 Y N 5.075 125.397 120.300 0.035 0.000 2.491 528 Y HA 0.551 5.101 4.550 0.000 0.000 0.334 528 Y C 1.192 177.105 175.900 0.021 0.000 0.969 528 Y CA -0.300 57.813 58.100 0.021 0.000 1.241 528 Y CB 1.085 39.546 38.460 0.002 0.000 1.105 528 Y HN 0.889 nan 8.280 nan 0.000 0.503 529 G N 1.844 110.715 108.800 0.118 0.000 2.634 529 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.309 529 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.309 529 G C 1.129 176.065 174.900 0.060 0.000 1.265 529 G CA 0.761 45.906 45.100 0.076 0.000 0.998 529 G HN 0.938 nan 8.290 nan 0.000 0.551 530 S N -0.709 115.020 115.700 0.049 0.000 2.577 530 S HA 0.395 4.865 4.470 -0.000 0.000 0.219 530 S C 0.901 175.528 174.600 0.046 0.000 0.962 530 S CA 1.130 59.351 58.200 0.036 0.000 0.921 530 S CB 0.131 63.342 63.200 0.019 0.000 0.789 530 S HN 0.905 nan 8.310 nan 0.000 0.497 531 T N 5.173 119.769 114.554 0.070 0.000 2.940 531 T HA 0.261 4.611 4.350 -0.000 0.000 0.309 531 T C -2.436 172.311 174.700 0.078 0.000 1.056 531 T CA -0.530 61.616 62.100 0.076 0.000 1.137 531 T CB 0.194 69.127 68.868 0.109 0.000 0.976 531 T HN 0.223 nan 8.240 nan 0.000 0.547 532 P HA 0.132 nan 4.420 nan 0.000 0.265 532 P C -0.737 176.610 177.300 0.079 0.000 1.193 532 P CA -0.280 62.853 63.100 0.055 0.000 0.765 532 P CB 0.302 32.026 31.700 0.041 0.000 0.823 533 V N 3.753 123.710 119.914 0.071 0.000 2.498 533 V HA 0.191 4.311 4.120 -0.000 0.000 0.279 533 V C 0.569 176.713 176.094 0.084 0.000 1.048 533 V CA 0.254 62.606 62.300 0.085 0.000 0.967 533 V CB 0.947 32.808 31.823 0.064 0.000 0.988 533 V HN 0.527 nan 8.190 nan 0.000 0.473 534 T N 7.426 122.044 114.554 0.108 0.000 2.788 534 T HA 0.396 4.746 4.350 -0.000 0.000 0.296 534 T C -2.474 172.292 174.700 0.111 0.000 1.009 534 T CA -1.031 61.126 62.100 0.095 0.000 0.949 534 T CB 1.434 70.356 68.868 0.091 0.000 0.946 534 T HN 0.455 nan 8.240 nan 0.000 0.453 535 P HA 0.386 nan 4.420 nan 0.000 0.269 535 P C -0.234 177.141 177.300 0.125 0.000 1.209 535 P CA -0.110 63.061 63.100 0.119 0.000 0.776 535 P CB 0.643 32.396 31.700 0.089 0.000 0.876 536 T N 0.122 114.778 114.554 0.170 0.000 2.830 536 T HA 0.572 4.922 4.350 -0.000 0.000 0.322 536 T C -0.293 174.543 174.700 0.227 0.000 1.501 536 T CA 0.515 62.713 62.100 0.163 0.000 1.036 536 T CB 0.609 69.569 68.868 0.152 0.000 1.379 536 T HN 0.769 nan 8.240 nan 0.000 0.493 537 G N 1.852 110.759 108.800 0.179 0.000 2.697 537 G HA2 0.153 4.113 3.960 -0.000 0.000 0.240 537 G HA3 0.153 4.113 3.960 -0.000 0.000 0.240 537 G C -0.166 174.787 174.900 0.089 0.000 1.346 537 G CA 0.344 45.572 45.100 0.213 0.000 0.887 537 G HN 1.858 nan 8.290 nan 0.000 0.569 538 S N -0.269 115.469 115.700 0.064 0.000 2.533 538 S HA 0.748 5.218 4.470 -0.000 0.000 0.271 538 S C -0.900 173.623 174.600 -0.127 0.000 1.143 538 S CA 0.386 58.508 58.200 -0.130 0.000 0.891 538 S CB 1.015 64.175 63.200 -0.067 0.000 1.105 538 S HN 1.906 nan 8.310 nan 0.000 0.468 539 W N 2.175 123.268 121.300 -0.345 0.000 3.031 539 W HA 0.718 5.378 4.660 -0.000 0.000 0.337 539 W C -1.312 175.222 176.519 0.024 0.000 1.187 539 W CA -0.827 56.328 57.345 -0.317 0.000 1.166 539 W CB 0.508 29.341 29.460 -1.046 0.000 1.437 539 W HN 0.646 nan 8.180 nan 0.000 0.551 540 E N 2.244 122.783 120.200 0.565 0.000 2.195 540 E HA 0.348 4.698 4.350 -0.000 0.000 0.271 540 E C -0.412 176.536 176.600 0.580 0.000 0.923 540 E CA -1.205 55.446 56.400 0.418 0.000 0.790 540 E CB 3.049 32.906 29.700 0.262 0.000 1.155 540 E HN 0.352 nan 8.360 nan 0.000 0.402 541 M N 1.504 121.397 119.600 0.488 0.000 2.248 541 M HA 0.120 4.600 4.480 -0.000 0.000 0.345 541 M C 0.946 177.394 176.300 0.246 0.000 1.243 541 M CA 1.557 57.097 55.300 0.401 0.000 1.090 541 M CB 0.090 32.896 32.600 0.344 0.000 1.683 541 M HN 0.892 nan 8.290 nan 0.000 0.450 542 G N 3.109 112.014 108.800 0.174 0.000 2.205 542 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.261 542 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.261 542 G C 0.079 175.036 174.900 0.094 0.000 0.980 542 G CA 0.616 45.802 45.100 0.143 0.000 0.632 542 G HN 0.694 nan 8.290 nan 0.000 0.533 543 K N 0.759 121.218 120.400 0.099 0.000 2.143 543 K HA 0.499 4.819 4.320 -0.000 0.000 0.272 543 K C 0.640 177.139 176.600 -0.168 0.000 1.001 543 K CA -0.958 55.303 56.287 -0.044 0.000 0.915 543 K CB 0.515 32.966 32.500 -0.080 0.000 1.047 543 K HN 0.238 nan 8.250 nan 0.000 0.458 544 R N 3.978 124.348 120.500 -0.218 0.000 2.368 544 R HA 0.190 4.529 4.340 -0.000 0.000 0.302 544 R C -1.554 174.585 176.300 -0.269 0.000 1.002 544 R CA -0.112 55.910 56.100 -0.129 0.000 0.929 544 R CB 0.500 30.796 30.300 -0.008 0.000 1.073 544 R HN 0.576 nan 8.270 nan 0.000 0.464 545 Y N 1.181 121.591 120.300 0.184 0.000 2.485 545 Y HA 0.268 4.818 4.550 -0.000 0.000 0.345 545 Y C -0.235 175.784 175.900 0.199 0.000 0.998 545 Y CA -0.930 57.301 58.100 0.219 0.000 1.059 545 Y CB 1.702 40.313 38.460 0.252 0.000 1.234 545 Y HN 0.696 nan 8.280 nan 0.000 0.461 546 H N 1.376 120.619 119.070 0.287 0.000 2.517 546 H HA 0.664 5.220 4.556 -0.000 0.000 0.317 546 H C -1.471 173.906 175.328 0.082 0.000 1.080 546 H CA -0.490 55.682 56.048 0.207 0.000 1.301 546 H CB 0.731 30.703 29.762 0.350 0.000 1.425 546 H HN 0.426 nan 8.280 nan 0.000 0.471 547 V N 6.481 126.206 119.914 -0.315 0.000 2.495 547 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 547 V C -0.641 175.263 176.094 -0.317 0.000 1.031 547 V CA -0.808 61.327 62.300 -0.275 0.000 0.871 547 V CB 1.684 33.373 31.823 -0.224 0.000 0.988 547 V HN 0.598 nan 8.190 nan 0.000 0.432 548 V N 6.132 125.955 119.914 -0.151 0.000 2.531 548 V HA 0.520 4.640 4.120 -0.000 0.000 0.301 548 V C -0.492 175.630 176.094 0.046 0.000 1.034 548 V CA -0.483 61.772 62.300 -0.074 0.000 0.865 548 V CB 1.903 33.666 31.823 -0.100 0.000 0.995 548 V HN 0.647 nan 8.190 nan 0.000 0.424 549 L N 4.940 126.178 121.223 0.026 0.000 2.313 549 L HA 0.773 5.113 4.340 -0.000 0.000 0.283 549 L C 0.149 177.011 176.870 -0.014 0.000 1.013 549 L CA -0.284 54.585 54.840 0.048 0.000 0.816 549 L CB 2.161 44.279 42.059 0.099 0.000 1.236 549 L HN 0.811 nan 8.230 nan 0.000 0.419 550 T N 0.785 115.293 114.554 -0.077 0.000 2.893 550 T HA 0.720 5.070 4.350 -0.000 0.000 0.291 550 T C -0.593 173.863 174.700 -0.407 0.000 1.028 550 T CA -0.769 61.173 62.100 -0.265 0.000 0.995 550 T CB 2.535 71.345 68.868 -0.097 0.000 1.051 550 T HN 0.427 nan 8.240 nan 0.000 0.470 551 M N 2.263 121.467 119.600 -0.661 0.000 2.224 551 M HA 0.706 5.186 4.480 -0.000 0.000 0.281 551 M C -1.879 174.248 176.300 -0.289 0.000 1.025 551 M CA -0.377 54.632 55.300 -0.486 0.000 0.954 551 M CB 1.336 33.535 32.600 -0.668 0.000 1.639 551 M HN 1.265 nan 8.290 nan 0.000 0.461 552 A N 4.046 126.783 122.820 -0.139 0.000 2.605 552 A HA 0.640 4.960 4.320 -0.000 0.000 0.294 552 A C -0.280 177.283 177.584 -0.035 0.000 1.062 552 A CA -0.382 51.618 52.037 -0.062 0.000 0.682 552 A CB 0.842 19.809 19.000 -0.054 0.000 1.278 552 A HN 0.986 nan 8.150 nan 0.000 0.410 553 N N 0.879 119.576 118.700 -0.005 0.000 2.708 553 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 553 N C 0.178 175.682 175.510 -0.010 0.000 1.097 553 N CA 1.107 54.156 53.050 -0.001 0.000 0.710 553 N CB -1.289 37.193 38.487 -0.008 0.000 1.032 553 N HN 0.842 nan 8.380 nan 0.000 0.551 554 K N -2.813 117.580 120.400 -0.012 0.000 3.407 554 K HA -0.225 4.095 4.320 -0.000 0.000 0.312 554 K C -0.398 176.190 176.600 -0.019 0.000 1.302 554 K CA 1.298 57.576 56.287 -0.015 0.000 0.931 554 K CB -1.445 31.049 32.500 -0.010 0.000 1.257 554 K HN 0.546 nan 8.250 nan 0.000 0.454 555 I N 0.665 121.216 120.570 -0.031 0.000 2.441 555 I HA 0.373 4.543 4.170 -0.000 0.000 0.295 555 I C 0.730 176.825 176.117 -0.037 0.000 0.994 555 I CA -0.709 60.570 61.300 -0.036 0.000 1.144 555 I CB 1.950 39.922 38.000 -0.048 0.000 1.314 555 I HN 0.103 nan 8.210 nan 0.000 0.445 556 G N 3.331 112.138 108.800 0.011 0.000 2.415 556 G HA2 0.668 4.628 3.960 -0.000 0.000 0.327 556 G HA3 0.668 4.628 3.960 -0.000 0.000 0.327 556 G C -1.062 173.900 174.900 0.104 0.000 1.182 556 G CA -0.298 44.835 45.100 0.056 0.000 0.924 556 G HN 0.527 nan 8.290 nan 0.000 0.470 557 S N -0.501 115.229 115.700 0.050 0.000 2.568 557 S HA 0.716 5.186 4.470 -0.000 0.000 0.293 557 S C -0.693 173.896 174.600 -0.019 0.000 1.089 557 S CA -0.600 57.596 58.200 -0.007 0.000 0.945 557 S CB 2.191 65.326 63.200 -0.108 0.000 1.077 557 S HN 0.557 nan 8.310 nan 0.000 0.485 558 V N 2.796 122.627 119.914 -0.137 0.000 2.525 558 V HA 0.471 4.591 4.120 -0.000 0.000 0.299 558 V C -1.736 174.185 176.094 -0.289 0.000 1.034 558 V CA -0.644 61.577 62.300 -0.132 0.000 0.863 558 V CB 0.902 32.652 31.823 -0.122 0.000 0.999 558 V HN 0.859 nan 8.190 nan 0.000 0.423 559 Y N 4.522 124.739 120.300 -0.138 0.000 2.393 559 Y HA 0.679 5.229 4.550 -0.000 0.000 0.341 559 Y C -0.032 175.740 175.900 -0.214 0.000 0.988 559 Y CA -1.147 56.866 58.100 -0.145 0.000 1.078 559 Y CB 1.837 40.235 38.460 -0.103 0.000 1.203 559 Y HN 0.343 nan 8.280 nan 0.000 0.453 560 I N 3.210 123.732 120.570 -0.081 0.000 2.436 560 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 560 I C -0.480 175.603 176.117 -0.056 0.000 1.010 560 I CA -0.901 60.310 61.300 -0.148 0.000 1.098 560 I CB 1.563 39.361 38.000 -0.337 0.000 1.266 560 I HN 0.740 nan 8.210 nan 0.000 0.434 561 D N 5.225 125.613 120.400 -0.020 0.000 2.708 561 D HA -0.189 4.451 4.640 -0.000 0.000 0.236 561 D C 1.255 176.961 176.300 -0.990 0.000 1.146 561 D CA 1.590 55.342 54.000 -0.414 0.000 0.662 561 D CB -0.972 39.734 40.800 -0.157 0.000 1.059 561 D HN 1.138 nan 8.370 nan 0.000 0.428 562 G N -1.078 107.435 108.800 -0.478 0.000 2.184 562 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.264 562 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.264 562 G C -0.041 174.819 174.900 -0.066 0.000 0.975 562 G CA 0.538 45.438 45.100 -0.334 0.000 0.642 562 G HN 0.408 nan 8.290 nan 0.000 0.536 563 E N 0.496 120.696 120.200 -0.001 0.000 2.222 563 E HA 0.460 4.810 4.350 -0.000 0.000 0.267 563 E C -2.768 173.853 176.600 0.035 0.000 0.884 563 E CA -2.170 54.271 56.400 0.068 0.000 0.764 563 E CB 2.194 31.885 29.700 -0.015 0.000 1.169 563 E HN 0.078 nan 8.360 nan 0.000 0.413 564 P HA 0.116 nan 4.420 nan 0.000 0.271 564 P C 0.164 177.342 177.300 -0.202 0.000 1.220 564 P CA -0.112 62.737 63.100 -0.417 0.000 0.768 564 P CB 0.485 31.926 31.700 -0.432 0.000 0.848 565 L N 1.835 122.946 121.223 -0.187 0.000 2.483 565 L HA 0.025 4.365 4.340 -0.000 0.000 0.275 565 L C 1.361 178.202 176.870 -0.048 0.000 1.220 565 L CA 0.033 54.830 54.840 -0.072 0.000 0.833 565 L CB 0.014 42.051 42.059 -0.037 0.000 1.102 565 L HN 0.479 nan 8.230 nan 0.000 0.490 566 E N 1.363 121.564 120.200 0.000 0.000 2.415 566 E HA 0.134 4.484 4.350 -0.000 0.000 0.263 566 E C 0.921 177.518 176.600 -0.005 0.000 0.995 566 E CA 0.652 57.050 56.400 -0.004 0.000 0.915 566 E CB 0.388 30.100 29.700 0.020 0.000 0.951 566 E HN 0.754 nan 8.360 nan 0.000 0.449 567 G N 3.047 111.819 108.800 -0.046 0.000 2.179 567 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 567 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 567 G C 0.357 175.155 174.900 -0.170 0.000 0.977 567 G CA 0.357 45.408 45.100 -0.081 0.000 0.641 567 G HN 0.686 nan 8.290 nan 0.000 0.533 568 S N -0.327 115.293 115.700 -0.133 0.000 2.596 568 S HA 0.518 4.988 4.470 -0.000 0.000 0.260 568 S C 1.452 175.891 174.600 -0.268 0.000 1.336 568 S CA 1.558 59.654 58.200 -0.174 0.000 0.993 568 S CB 0.511 63.627 63.200 -0.140 0.000 0.923 568 S HN 2.244 nan 8.310 nan 0.000 0.567 569 G N 2.040 110.685 108.800 -0.258 0.000 2.452 569 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.275 569 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.275 569 G C -0.481 174.258 174.900 -0.269 0.000 1.131 569 G CA -0.263 44.714 45.100 -0.206 0.000 1.031 569 G HN 0.575 nan 8.290 nan 0.000 0.511 570 Q N -0.299 119.267 119.800 -0.390 0.000 2.297 570 Q HA 0.606 4.946 4.340 -0.000 0.000 0.269 570 Q C 0.416 176.329 176.000 -0.145 0.000 1.051 570 Q CA -0.518 55.074 55.803 -0.353 0.000 0.869 570 Q CB 1.387 29.730 28.738 -0.659 0.000 1.346 570 Q HN 0.256 nan 8.270 nan 0.000 0.457 571 T N 1.130 115.629 114.554 -0.091 0.000 2.870 571 T HA 0.188 4.538 4.350 -0.000 0.000 0.300 571 T C 1.117 175.828 174.700 0.020 0.000 0.989 571 T CA -0.023 62.059 62.100 -0.030 0.000 1.139 571 T CB 0.240 69.091 68.868 -0.028 0.000 0.920 571 T HN 0.491 nan 8.240 nan 0.000 0.537 572 V N 1.368 121.304 119.914 0.037 0.000 3.556 572 V HA 0.408 4.528 4.120 -0.000 0.000 0.287 572 V C 0.147 176.261 176.094 0.033 0.000 1.422 572 V CA -0.228 62.112 62.300 0.066 0.000 1.038 572 V CB 0.230 32.112 31.823 0.098 0.000 0.850 572 V HN 0.499 nan 8.190 nan 0.000 0.437 573 V N 2.181 122.102 119.914 0.012 0.000 2.407 573 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 573 V C -2.620 173.472 176.094 -0.004 0.000 1.018 573 V CA -1.813 60.485 62.300 -0.003 0.000 0.842 573 V CB 1.546 33.358 31.823 -0.017 0.000 0.996 573 V HN 0.191 nan 8.190 nan 0.000 0.426 574 P HA 0.074 nan 4.420 nan 0.000 0.254 574 P C -0.412 176.885 177.300 -0.005 0.000 1.467 574 P CA -0.239 62.859 63.100 -0.004 0.000 1.281 574 P CB -0.481 31.216 31.700 -0.005 0.000 1.754 575 D N 2.370 122.767 120.400 -0.005 0.000 5.044 575 D HA 0.059 4.699 4.640 -0.000 0.000 0.263 575 D C 1.366 177.666 176.300 0.001 0.000 1.567 575 D CA 1.273 55.272 54.000 -0.002 0.000 1.204 575 D CB -0.315 40.484 40.800 -0.001 0.000 1.347 575 D HN 0.521 nan 8.370 nan 0.000 0.758 576 E N -0.444 119.756 120.200 -0.000 0.000 3.458 576 E HA 0.506 4.855 4.350 -0.000 0.000 0.234 576 E C 0.923 177.525 176.600 0.003 0.000 1.185 576 E CA 0.048 56.450 56.400 0.004 0.000 1.483 576 E CB -0.315 29.386 29.700 0.001 0.000 2.700 576 E HN 0.481 nan 8.360 nan 0.000 0.945 577 R N 0.916 121.415 120.500 -0.003 0.000 2.679 577 R HA 0.594 4.934 4.340 -0.000 0.000 0.269 577 R C 0.626 176.911 176.300 -0.025 0.000 1.076 577 R CA 0.514 56.610 56.100 -0.006 0.000 1.160 577 R CB -0.577 29.718 30.300 -0.009 0.000 1.054 577 R HN 0.597 nan 8.270 nan 0.000 0.507 578 T N 3.750 118.286 114.554 -0.031 0.000 2.869 578 T HA 0.386 4.735 4.350 -0.000 0.000 0.295 578 T C -1.944 172.687 174.700 -0.114 0.000 0.987 578 T CA -0.594 61.450 62.100 -0.093 0.000 1.109 578 T CB 1.174 69.995 68.868 -0.079 0.000 0.932 578 T HN 0.625 nan 8.240 nan 0.000 0.518 579 P HA 0.199 nan 4.420 nan 0.000 0.269 579 P C -0.545 176.646 177.300 -0.182 0.000 1.217 579 P CA -0.158 62.853 63.100 -0.147 0.000 0.783 579 P CB 0.393 32.000 31.700 -0.154 0.000 0.898 580 D N 1.278 121.585 120.400 -0.155 0.000 2.443 580 D HA 0.238 4.878 4.640 -0.000 0.000 0.281 580 D C -0.400 175.789 176.300 -0.186 0.000 1.210 580 D CA -0.364 53.537 54.000 -0.165 0.000 0.875 580 D CB -0.544 40.200 40.800 -0.093 0.000 1.125 580 D HN 0.151 nan 8.370 nan 0.000 0.503 581 I N 1.551 121.963 120.570 -0.265 0.000 2.668 581 I HA -0.073 4.097 4.170 -0.000 0.000 0.285 581 I C 1.818 177.763 176.117 -0.286 0.000 1.168 581 I CA 0.217 61.325 61.300 -0.320 0.000 1.424 581 I CB 1.162 38.871 38.000 -0.484 0.000 1.377 581 I HN 0.227 nan 8.210 nan 0.000 0.560 582 S N 6.204 121.770 115.700 -0.223 0.000 2.362 582 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 582 S C 0.365 174.954 174.600 -0.018 0.000 1.032 582 S CA 0.851 59.011 58.200 -0.065 0.000 0.973 582 S CB 0.027 63.284 63.200 0.093 0.000 0.849 582 S HN 0.824 nan 8.310 nan 0.000 0.465 583 H N -2.649 116.271 119.070 -0.249 0.000 2.935 583 H HA 0.317 4.873 4.556 -0.000 0.000 0.297 583 H C -1.807 173.324 175.328 -0.328 0.000 1.423 583 H CA -0.995 54.911 56.048 -0.236 0.000 1.161 583 H CB -0.318 29.448 29.762 0.006 0.000 1.841 583 H HN 0.214 nan 8.280 nan 0.000 0.506 584 F N 1.501 121.519 119.950 0.113 0.000 2.404 584 F HA 0.369 4.896 4.527 -0.000 0.000 0.339 584 F C -0.049 175.904 175.800 0.255 0.000 1.105 584 F CA -0.902 57.099 58.000 0.002 0.000 1.087 584 F CB 1.129 40.135 39.000 0.009 0.000 1.143 584 F HN 0.438 nan 8.300 nan 0.000 0.491 585 Y N 0.050 120.562 120.300 0.353 0.000 2.446 585 Y HA 0.837 5.387 4.550 -0.000 0.000 0.338 585 Y C -1.290 174.710 175.900 0.166 0.000 1.055 585 Y CA -1.674 56.604 58.100 0.296 0.000 1.101 585 Y CB 1.006 39.638 38.460 0.287 0.000 1.221 585 Y HN 0.279 nan 8.280 nan 0.000 0.460 586 V N 2.238 122.263 119.914 0.184 0.000 2.668 586 V HA 0.605 4.725 4.120 -0.000 0.000 0.304 586 V C 0.491 176.479 176.094 -0.177 0.000 1.071 586 V CA -0.569 61.767 62.300 0.059 0.000 0.894 586 V CB 1.091 33.008 31.823 0.157 0.000 1.008 586 V HN 1.335 nan 8.190 nan 0.000 0.425 587 G N 2.850 111.561 108.800 -0.148 0.000 2.160 587 G HA2 0.239 4.199 3.960 -0.000 0.000 0.251 587 G HA3 0.239 4.199 3.960 -0.000 0.000 0.251 587 G C 0.736 175.407 174.900 -0.383 0.000 1.008 587 G CA 0.445 45.345 45.100 -0.332 0.000 0.724 587 G HN 2.366 nan 8.290 nan 0.000 0.514 588 G N -2.527 106.143 108.800 -0.217 0.000 2.359 588 G HA2 0.317 4.277 3.960 -0.000 0.000 0.303 588 G HA3 0.317 4.277 3.960 -0.000 0.000 0.303 588 G C -0.015 174.759 174.900 -0.209 0.000 1.293 588 G CA 0.092 45.044 45.100 -0.247 0.000 0.964 588 G HN 0.540 nan 8.290 nan 0.000 0.531 589 Y N 0.427 120.694 120.300 -0.056 0.000 2.500 589 Y HA 0.320 4.870 4.550 -0.000 0.000 0.270 589 Y C 1.955 177.849 175.900 -0.010 0.000 1.134 589 Y CA 0.608 58.666 58.100 -0.071 0.000 1.293 589 Y CB 0.409 38.785 38.460 -0.139 0.000 1.063 589 Y HN 0.561 nan 8.280 nan 0.000 0.534 590 K N 1.438 121.898 120.400 0.100 0.000 3.077 590 K HA -0.216 4.104 4.320 -0.000 0.000 0.264 590 K C -1.313 175.323 176.600 0.060 0.000 1.008 590 K CA 0.319 56.645 56.287 0.065 0.000 0.740 590 K CB -0.564 31.969 32.500 0.056 0.000 1.273 590 K HN 0.152 nan 8.250 nan 0.000 0.477 591 R N 0.091 120.640 120.500 0.082 0.000 2.502 591 R HA 0.110 4.450 4.340 -0.000 0.000 0.298 591 R C 1.018 177.339 176.300 0.035 0.000 1.018 591 R CA 0.163 56.284 56.100 0.035 0.000 0.899 591 R CB 1.560 31.859 30.300 -0.002 0.000 1.181 591 R HN 0.253 nan 8.270 nan 0.000 0.444 592 S N 0.477 116.188 115.700 0.019 0.000 2.474 592 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 592 S C 1.625 176.228 174.600 0.005 0.000 0.997 592 S CA 0.997 59.208 58.200 0.018 0.000 0.949 592 S CB 0.104 63.312 63.200 0.013 0.000 0.766 592 S HN 0.709 nan 8.310 nan 0.000 0.517 593 G N 0.952 109.744 108.800 -0.012 0.000 2.572 593 G HA2 0.192 4.152 3.960 -0.000 0.000 0.216 593 G HA3 0.192 4.152 3.960 -0.000 0.000 0.216 593 G C 0.524 175.399 174.900 -0.041 0.000 1.133 593 G CA 0.015 45.097 45.100 -0.029 0.000 0.791 593 G HN 0.374 nan 8.290 nan 0.000 0.538 594 M N 0.829 120.409 119.600 -0.033 0.000 2.264 594 M HA 0.245 4.725 4.480 -0.000 0.000 0.352 594 M C -1.738 174.581 176.300 0.031 0.000 1.173 594 M CA -2.213 53.067 55.300 -0.033 0.000 1.075 594 M CB 1.807 34.371 32.600 -0.060 0.000 1.621 594 M HN -0.139 nan 8.290 nan 0.000 0.457 595 P HA 0.040 nan 4.420 nan 0.000 0.255 595 P C 0.176 177.501 177.300 0.042 0.000 1.248 595 P CA 0.337 63.453 63.100 0.028 0.000 0.807 595 P CB -0.286 31.421 31.700 0.011 0.000 1.150 596 T N -1.818 112.781 114.554 0.076 0.000 2.868 596 T HA 0.309 4.659 4.350 -0.000 0.000 0.292 596 T C -0.257 174.461 174.700 0.029 0.000 1.028 596 T CA -0.468 61.658 62.100 0.044 0.000 1.059 596 T CB 1.050 69.944 68.868 0.044 0.000 0.991 596 T HN -0.163 nan 8.240 nan 0.000 0.531 597 D N 0.943 121.349 120.400 0.010 0.000 2.389 597 D HA 0.261 4.901 4.640 -0.000 0.000 0.256 597 D C -0.909 175.422 176.300 0.050 0.000 1.239 597 D CA -0.509 53.513 54.000 0.035 0.000 0.925 597 D CB 0.857 41.683 40.800 0.045 0.000 1.145 597 D HN 0.470 nan 8.370 nan 0.000 0.542 598 S N 3.768 119.503 115.700 0.058 0.000 2.430 598 S HA 0.372 4.842 4.470 -0.000 0.000 0.289 598 S C 0.292 174.998 174.600 0.176 0.000 1.143 598 S CA -0.739 57.545 58.200 0.140 0.000 1.067 598 S CB 0.930 64.184 63.200 0.090 0.000 0.964 598 S HN 0.231 nan 8.310 nan 0.000 0.485 599 R N 3.045 123.666 120.500 0.202 0.000 2.522 599 R HA 0.390 4.730 4.340 -0.000 0.000 0.290 599 R C -0.446 175.962 176.300 0.180 0.000 1.216 599 R CA -0.227 55.995 56.100 0.203 0.000 1.250 599 R CB 0.095 30.508 30.300 0.190 0.000 1.143 599 R HN 0.533 nan 8.270 nan 0.000 0.553 600 V N -1.777 118.265 119.914 0.213 0.000 3.147 600 V HA 0.610 4.730 4.120 -0.000 0.000 0.306 600 V C -0.310 175.912 176.094 0.212 0.000 1.209 600 V CA -0.816 61.511 62.300 0.045 0.000 1.023 600 V CB 2.453 34.264 31.823 -0.020 0.000 1.059 600 V HN 0.320 nan 8.190 nan 0.000 0.435 601 T N 2.136 116.751 114.554 0.102 0.000 2.823 601 T HA 0.759 5.109 4.350 -0.000 0.000 0.279 601 T C -0.649 174.142 174.700 0.151 0.000 0.998 601 T CA -0.397 61.804 62.100 0.169 0.000 0.994 601 T CB 1.553 70.565 68.868 0.239 0.000 0.960 601 T HN 0.830 nan 8.240 nan 0.000 0.448 602 V N 4.813 124.852 119.914 0.208 0.000 2.588 602 V HA 0.540 4.659 4.120 -0.000 0.000 0.304 602 V C -0.502 175.786 176.094 0.322 0.000 1.042 602 V CA -1.059 61.416 62.300 0.290 0.000 0.877 602 V CB 1.936 34.033 31.823 0.456 0.000 0.996 602 V HN 0.825 nan 8.190 nan 0.000 0.425 603 N N 2.946 121.815 118.700 0.282 0.000 2.292 603 N HA 0.407 5.147 4.740 -0.000 0.000 0.303 603 N C -0.539 175.138 175.510 0.279 0.000 1.140 603 N CA -0.781 52.445 53.050 0.293 0.000 0.788 603 N CB 1.724 40.335 38.487 0.207 0.000 1.361 603 N HN 0.804 nan 8.380 nan 0.000 0.489 604 N N -0.664 118.203 118.700 0.278 0.000 2.614 604 N HA -0.162 4.578 4.740 -0.000 0.000 0.276 604 N C -1.083 174.582 175.510 0.259 0.000 1.119 604 N CA -0.004 53.241 53.050 0.326 0.000 0.742 604 N CB -0.736 37.983 38.487 0.387 0.000 0.900 604 N HN 0.231 nan 8.380 nan 0.000 0.549 605 V N 2.095 122.047 119.914 0.063 0.000 2.408 605 V HA 0.290 4.410 4.120 -0.000 0.000 0.267 605 V C 0.703 176.881 176.094 0.141 0.000 1.047 605 V CA -0.158 62.129 62.300 -0.021 0.000 0.937 605 V CB 0.925 32.532 31.823 -0.359 0.000 0.999 605 V HN 0.263 nan 8.190 nan 0.000 0.472 606 L N 5.763 127.062 121.223 0.127 0.000 2.325 606 L HA 0.637 4.976 4.340 -0.000 0.000 0.278 606 L C -0.630 176.258 176.870 0.030 0.000 1.023 606 L CA -0.671 54.202 54.840 0.056 0.000 0.811 606 L CB 1.849 43.904 42.059 -0.005 0.000 1.249 606 L HN 0.482 nan 8.230 nan 0.000 0.431 607 L N 3.285 124.433 121.223 -0.125 0.000 2.372 607 L HA 0.531 4.871 4.340 -0.000 0.000 0.274 607 L C -1.402 175.248 176.870 -0.365 0.000 0.988 607 L CA -0.016 54.664 54.840 -0.266 0.000 0.833 607 L CB 1.057 42.732 42.059 -0.639 0.000 1.236 607 L HN 0.268 nan 8.230 nan 0.000 0.410 608 Y N 2.702 122.905 120.300 -0.162 0.000 2.487 608 Y HA 0.376 4.926 4.550 0.000 0.000 0.337 608 Y C 0.970 176.732 175.900 -0.231 0.000 1.076 608 Y CA -0.645 57.329 58.100 -0.210 0.000 1.115 608 Y CB 1.333 39.698 38.460 -0.159 0.000 1.235 608 Y HN 0.713 nan 8.280 nan 0.000 0.468 609 N N 1.724 120.201 118.700 -0.371 0.000 2.362 609 N HA 0.073 4.813 4.740 -0.000 0.000 0.211 609 N C -0.547 174.843 175.510 -0.201 0.000 1.170 609 N CA -0.253 52.364 53.050 -0.721 0.000 0.828 609 N CB -0.060 37.581 38.487 -1.409 0.000 1.034 609 N HN 0.777 nan 8.380 nan 0.000 0.475 610 R N -2.330 118.143 120.500 -0.044 0.000 2.747 610 R HA 0.296 4.636 4.340 -0.000 0.000 0.272 610 R C -1.333 174.937 176.300 -0.050 0.000 1.032 610 R CA -0.965 55.115 56.100 -0.034 0.000 0.896 610 R CB 0.686 30.946 30.300 -0.066 0.000 1.253 610 R HN 0.038 nan 8.270 nan 0.000 0.461 611 Q N 2.096 121.849 119.800 -0.078 0.000 2.337 611 Q HA 0.269 4.609 4.340 -0.000 0.000 0.255 611 Q C -0.660 175.253 176.000 -0.146 0.000 0.997 611 Q CA -0.504 55.230 55.803 -0.115 0.000 0.925 611 Q CB 0.799 29.480 28.738 -0.095 0.000 1.212 611 Q HN 0.495 nan 8.270 nan 0.000 0.436 612 L N 3.601 124.694 121.223 -0.217 0.000 2.483 612 L HA 0.025 4.364 4.340 -0.000 0.000 0.276 612 L C 0.682 177.433 176.870 -0.199 0.000 1.213 612 L CA -0.284 54.393 54.840 -0.271 0.000 0.843 612 L CB 0.009 41.828 42.059 -0.401 0.000 1.107 612 L HN 0.784 nan 8.230 nan 0.000 0.487 613 N N 1.465 120.062 118.700 -0.172 0.000 2.379 613 N HA 0.245 4.985 4.740 -0.000 0.000 0.260 613 N C 0.610 176.035 175.510 -0.142 0.000 1.254 613 N CA -0.021 52.954 53.050 -0.125 0.000 0.958 613 N CB 0.685 39.116 38.487 -0.092 0.000 1.208 613 N HN 0.599 nan 8.380 nan 0.000 0.532 614 A N -0.263 122.497 122.820 -0.100 0.000 1.917 614 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 614 A C 1.986 179.512 177.584 -0.095 0.000 1.182 614 A CA 2.067 54.047 52.037 -0.096 0.000 0.633 614 A CB -1.211 17.766 19.000 -0.038 0.000 0.819 614 A HN 0.931 nan 8.150 nan 0.000 0.448 615 E N -0.249 119.904 120.200 -0.077 0.000 2.106 615 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 615 E C 1.857 178.407 176.600 -0.083 0.000 0.984 615 E CA 1.302 57.664 56.400 -0.064 0.000 0.806 615 E CB -0.170 29.499 29.700 -0.052 0.000 0.750 615 E HN 0.751 nan 8.360 nan 0.000 0.458 616 E N 0.340 120.469 120.200 -0.119 0.000 2.106 616 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 616 E C 2.167 178.676 176.600 -0.152 0.000 0.984 616 E CA 1.149 57.461 56.400 -0.148 0.000 0.806 616 E CB -0.038 29.535 29.700 -0.212 0.000 0.750 616 E HN 0.394 nan 8.360 nan 0.000 0.458 617 I N 0.665 121.127 120.570 -0.180 0.000 2.202 617 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 617 I C 2.627 178.705 176.117 -0.064 0.000 1.091 617 I CA 0.928 62.122 61.300 -0.176 0.000 1.368 617 I CB -0.136 37.641 38.000 -0.371 0.000 1.058 617 I HN 0.001 nan 8.210 nan 0.000 0.410 618 R N 0.970 121.440 120.500 -0.051 0.000 2.096 618 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 618 R C 2.185 178.509 176.300 0.040 0.000 1.139 618 R CA 2.447 58.574 56.100 0.045 0.000 0.952 618 R CB -0.886 29.431 30.300 0.028 0.000 0.854 618 R HN 0.221 nan 8.270 nan 0.000 0.436 619 T N 1.048 115.587 114.554 -0.024 0.000 2.746 619 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 619 T C 1.709 176.367 174.700 -0.070 0.000 1.039 619 T CA 1.539 63.609 62.100 -0.049 0.000 1.142 619 T CB -0.171 68.665 68.868 -0.053 0.000 0.866 619 T HN 0.158 nan 8.240 nan 0.000 0.444 620 L N -0.014 121.179 121.223 -0.050 0.000 2.083 620 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 620 L C 2.297 179.029 176.870 -0.230 0.000 1.083 620 L CA 1.206 56.026 54.840 -0.034 0.000 0.752 620 L CB -0.543 41.574 42.059 0.097 0.000 0.899 620 L HN 0.233 nan 8.230 nan 0.000 0.433 621 F N 0.939 120.575 119.950 -0.524 0.000 2.075 621 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 621 F C 2.143 177.717 175.800 -0.377 0.000 1.113 621 F CA 1.507 59.008 58.000 -0.832 0.000 1.218 621 F CB -0.437 38.293 39.000 -0.451 0.000 0.984 621 F HN -0.138 nan 8.300 nan 0.000 0.472 622 L N 0.196 121.088 121.223 -0.553 0.000 2.131 622 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 622 L C 2.184 178.849 176.870 -0.342 0.000 1.092 622 L CA 1.529 56.044 54.840 -0.542 0.000 0.759 622 L CB -0.857 41.043 42.059 -0.266 0.000 0.903 622 L HN 0.408 nan 8.230 nan 0.000 0.435 623 S N -1.433 114.130 115.700 -0.229 0.000 2.572 623 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 623 S C 1.569 176.122 174.600 -0.077 0.000 0.963 623 S CA -0.370 57.754 58.200 -0.127 0.000 0.939 623 S CB 0.051 63.203 63.200 -0.079 0.000 0.804 623 S HN 0.535 nan 8.310 nan 0.000 0.480 624 Q N 1.093 120.827 119.800 -0.111 0.000 2.368 624 Q HA -0.136 4.203 4.340 -0.000 0.000 0.210 624 Q C 0.397 176.429 176.000 0.054 0.000 0.982 624 Q CA 1.518 57.332 55.803 0.017 0.000 0.884 624 Q CB -0.514 28.267 28.738 0.073 0.000 0.933 624 Q HN 0.397 nan 8.270 nan 0.000 0.460 625 D N 0.270 120.672 120.400 0.004 0.000 2.339 625 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 625 D C 1.164 177.496 176.300 0.054 0.000 1.050 625 D CA 0.327 54.345 54.000 0.032 0.000 0.856 625 D CB 0.490 41.288 40.800 -0.003 0.000 0.922 625 D HN 0.352 nan 8.370 nan 0.000 0.518 626 L N 0.235 121.493 121.223 0.058 0.000 2.781 626 L HA 0.247 4.587 4.340 -0.000 0.000 0.245 626 L C 2.047 179.005 176.870 0.147 0.000 1.118 626 L CA 0.129 55.017 54.840 0.079 0.000 0.918 626 L CB 0.291 42.366 42.059 0.027 0.000 1.246 626 L HN -0.046 nan 8.230 nan 0.000 0.526 627 I N -2.327 118.349 120.570 0.177 0.000 3.603 627 I HA 0.286 4.456 4.170 -0.000 0.000 0.297 627 I C 1.285 177.728 176.117 0.544 0.000 1.269 627 I CA -0.164 61.306 61.300 0.285 0.000 1.361 627 I CB -0.534 37.564 38.000 0.164 0.000 1.063 627 I HN 0.021 nan 8.210 nan 0.000 0.448 628 G N 1.640 110.670 108.800 0.384 0.000 2.559 628 G HA2 0.152 4.112 3.960 -0.000 0.000 0.235 628 G HA3 0.152 4.112 3.960 -0.000 0.000 0.235 628 G C 0.961 176.009 174.900 0.246 0.000 1.266 628 G CA 0.460 45.740 45.100 0.299 0.000 0.847 628 G HN 0.461 nan 8.290 nan 0.000 0.583 629 T N -1.943 112.634 114.554 0.038 0.000 3.107 629 T HA 0.028 4.378 4.350 -0.000 0.000 0.249 629 T C 1.746 176.450 174.700 0.007 0.000 1.096 629 T CA 0.983 63.073 62.100 -0.017 0.000 1.012 629 T CB -0.064 68.572 68.868 -0.387 0.000 0.977 629 T HN 0.780 nan 8.240 nan 0.000 0.527 630 E N 2.207 122.343 120.200 -0.107 0.000 2.147 630 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 630 E C 2.174 178.552 176.600 -0.370 0.000 1.005 630 E CA 1.397 57.525 56.400 -0.453 0.000 0.810 630 E CB -0.689 28.743 29.700 -0.446 0.000 0.736 630 E HN 0.611 nan 8.360 nan 0.000 0.460 631 A N 0.504 123.133 122.820 -0.319 0.000 2.167 631 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 631 A C 0.288 177.602 177.584 -0.450 0.000 1.151 631 A CA 0.693 52.482 52.037 -0.412 0.000 0.735 631 A CB -0.457 18.251 19.000 -0.487 0.000 0.802 631 A HN 0.378 nan 8.150 nan 0.000 0.467 632 H N 0.000 119.072 119.070 0.004 0.000 2.539 632 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 632 H CA 0.000 56.069 56.048 0.035 0.000 1.023 632 H CB 0.000 29.798 29.762 0.060 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496