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 2wdq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.316 176.300 0.026 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.630 32.600 0.050 0.000 1.302 2 K N 1.513 121.926 120.400 0.022 0.000 2.397 2 K HA 0.378 4.546 4.320 -0.255 0.000 0.202 2 K C -0.703 175.916 176.600 0.031 0.000 1.022 2 K CA 0.064 56.364 56.287 0.022 0.000 1.141 2 K CB 0.515 33.025 32.500 0.016 0.000 0.857 2 K HN 0.583 nan 8.250 nan 0.000 0.514 3 L N 1.171 122.420 121.223 0.043 0.000 2.354 3 L HA 0.447 4.634 4.340 -0.255 0.000 0.269 3 L C -2.510 174.394 176.870 0.057 0.000 1.005 3 L CA -2.131 52.744 54.840 0.057 0.000 0.819 3 L CB 1.846 43.950 42.059 0.075 0.000 1.311 3 L HN -0.106 nan 8.230 nan 0.000 0.423 4 P HA 0.185 nan 4.420 nan 0.000 0.268 4 P C -1.359 175.924 177.300 -0.028 0.000 1.205 4 P CA -0.160 62.945 63.100 0.008 0.000 0.771 4 P CB 0.651 32.357 31.700 0.010 0.000 0.858 5 V N 4.763 124.632 119.914 -0.074 0.000 2.448 5 V HA 0.416 4.383 4.120 -0.255 0.000 0.295 5 V C 0.316 176.245 176.094 -0.275 0.000 1.025 5 V CA -0.532 61.668 62.300 -0.166 0.000 0.859 5 V CB 1.423 33.191 31.823 -0.092 0.000 0.988 5 V HN 0.440 nan 8.190 nan 0.000 0.431 6 R N 3.144 123.383 120.500 -0.434 0.000 2.393 6 R HA 0.536 4.723 4.340 -0.255 0.000 0.315 6 R C -0.622 175.467 176.300 -0.352 0.000 0.952 6 R CA -0.538 55.319 56.100 -0.405 0.000 0.842 6 R CB 2.434 32.431 30.300 -0.504 0.000 1.163 6 R HN 0.798 nan 8.270 nan 0.000 0.450 7 E N 3.518 123.441 120.200 -0.462 0.000 2.183 7 E HA 0.471 4.668 4.350 -0.255 0.000 0.271 7 E C -1.293 174.900 176.600 -0.678 0.000 0.919 7 E CA -0.477 55.691 56.400 -0.388 0.000 0.781 7 E CB 0.917 30.444 29.700 -0.289 0.000 1.140 7 E HN 0.301 nan 8.360 nan 0.000 0.402 8 F N 1.368 121.279 119.950 -0.066 0.000 2.662 8 F HA 0.206 4.580 4.527 -0.254 0.000 0.312 8 F C 0.795 176.570 175.800 -0.041 0.000 1.113 8 F CA -0.824 57.155 58.000 -0.035 0.000 0.951 8 F CB 1.577 40.566 39.000 -0.018 0.000 1.344 8 F HN 0.418 nan 8.300 nan 0.000 0.462 9 D N 0.828 121.324 120.400 0.159 0.000 2.097 9 D HA 0.046 4.533 4.640 -0.255 0.000 0.195 9 D C 0.431 176.763 176.300 0.052 0.000 0.989 9 D CA 1.458 55.501 54.000 0.072 0.000 0.827 9 D CB 0.012 40.835 40.800 0.038 0.000 0.966 9 D HN 0.408 nan 8.370 nan 0.000 0.456 10 A N 0.155 123.005 122.820 0.050 0.000 2.386 10 A HA 0.565 4.732 4.320 -0.255 0.000 0.311 10 A C -0.929 176.608 177.584 -0.078 0.000 1.068 10 A CA -0.533 51.478 52.037 -0.043 0.000 0.743 10 A CB 2.210 21.142 19.000 -0.115 0.000 1.258 10 A HN -0.072 nan 8.150 nan 0.000 0.429 11 V N 2.726 122.574 119.914 -0.110 0.000 2.407 11 V HA 0.395 4.362 4.120 -0.255 0.000 0.291 11 V C -0.518 175.460 176.094 -0.194 0.000 1.018 11 V CA -0.478 61.696 62.300 -0.211 0.000 0.842 11 V CB 1.530 33.249 31.823 -0.173 0.000 0.996 11 V HN 0.657 nan 8.190 nan 0.000 0.426 12 V N 6.744 126.520 119.914 -0.230 0.000 2.350 12 V HA 0.453 4.420 4.120 -0.255 0.000 0.276 12 V C 0.039 176.020 176.094 -0.188 0.000 1.028 12 V CA -0.329 61.869 62.300 -0.169 0.000 0.860 12 V CB 1.574 33.312 31.823 -0.143 0.000 0.990 12 V HN 0.688 nan 8.190 nan 0.000 0.453 13 I N 5.191 125.672 120.570 -0.147 0.000 2.282 13 I HA 0.689 4.706 4.170 -0.255 0.000 0.290 13 I C 0.745 176.794 176.117 -0.113 0.000 1.090 13 I CA 0.074 61.280 61.300 -0.156 0.000 1.231 13 I CB 0.718 38.632 38.000 -0.143 0.000 1.434 13 I HN 0.850 nan 8.210 nan 0.000 0.487 14 G N 4.325 113.059 108.800 -0.109 0.000 2.653 14 G HA2 0.251 4.058 3.960 -0.255 0.000 0.656 14 G HA3 0.251 4.058 3.960 -0.255 0.000 0.656 14 G C -0.660 174.199 174.900 -0.069 0.000 1.419 14 G CA -0.314 44.741 45.100 -0.075 0.000 0.862 14 G HN 0.733 nan 8.290 nan 0.000 0.639 15 A N 1.006 123.788 122.820 -0.064 0.000 2.674 15 A HA 0.807 4.974 4.320 -0.255 0.000 0.286 15 A C 1.180 178.721 177.584 -0.071 0.000 0.980 15 A CA 1.086 53.079 52.037 -0.074 0.000 1.028 15 A CB -0.106 18.834 19.000 -0.100 0.000 1.199 15 A HN 2.118 nan 8.150 nan 0.000 0.499 16 G N -0.543 108.232 108.800 -0.041 0.000 2.485 16 G HA2 0.402 4.209 3.960 -0.255 0.000 0.260 16 G HA3 0.402 4.209 3.960 -0.255 0.000 0.260 16 G C 1.181 176.067 174.900 -0.023 0.000 1.459 16 G CA 0.209 45.293 45.100 -0.027 0.000 1.060 16 G HN 0.612 nan 8.290 nan 0.000 0.546 17 G N -0.204 108.594 108.800 -0.005 0.000 2.446 17 G HA2 0.015 3.822 3.960 -0.255 0.000 0.217 17 G HA3 0.015 3.822 3.960 -0.255 0.000 0.217 17 G C 1.984 176.893 174.900 0.016 0.000 1.168 17 G CA 1.995 47.097 45.100 0.003 0.000 0.771 17 G HN 0.900 nan 8.290 nan 0.000 0.551 18 A N 0.803 123.644 122.820 0.036 0.000 1.855 18 A HA 0.188 4.356 4.320 -0.255 0.000 0.215 18 A C 2.743 180.340 177.584 0.022 0.000 1.191 18 A CA 2.136 54.204 52.037 0.051 0.000 0.613 18 A CB -1.162 17.883 19.000 0.074 0.000 0.829 18 A HN 0.554 nan 8.150 nan 0.000 0.442 19 G N -0.894 107.906 108.800 -0.000 0.000 2.418 19 G HA2 -0.210 3.598 3.960 -0.255 0.000 0.217 19 G HA3 -0.210 3.598 3.960 -0.255 0.000 0.217 19 G C 1.650 176.528 174.900 -0.037 0.000 1.158 19 G CA 1.142 46.227 45.100 -0.026 0.000 0.771 19 G HN 0.428 nan 8.290 nan 0.000 0.545 20 M N -0.365 119.214 119.600 -0.035 0.000 2.229 20 M HA 0.016 4.343 4.480 -0.255 0.000 0.264 20 M C 2.584 178.863 176.300 -0.034 0.000 1.063 20 M CA 1.140 56.417 55.300 -0.039 0.000 1.114 20 M CB -0.064 32.515 32.600 -0.035 0.000 1.387 20 M HN 0.184 nan 8.290 nan 0.000 0.420 21 R N 0.797 121.287 120.500 -0.018 0.000 2.073 21 R HA 0.030 4.217 4.340 -0.255 0.000 0.229 21 R C 1.997 178.288 176.300 -0.015 0.000 1.120 21 R CA 1.762 57.854 56.100 -0.013 0.000 0.967 21 R CB -0.616 29.686 30.300 0.004 0.000 0.862 21 R HN 0.275 nan 8.270 nan 0.000 0.436 22 A N 0.587 123.400 122.820 -0.011 0.000 1.858 22 A HA -0.043 4.124 4.320 -0.255 0.000 0.216 22 A C 2.411 179.968 177.584 -0.046 0.000 1.190 22 A CA 1.846 53.871 52.037 -0.020 0.000 0.617 22 A CB -1.283 17.706 19.000 -0.018 0.000 0.827 22 A HN 0.477 nan 8.150 nan 0.000 0.443 23 A N -0.511 122.275 122.820 -0.057 0.000 1.892 23 A HA -0.134 4.033 4.320 -0.255 0.000 0.218 23 A C 2.175 179.723 177.584 -0.059 0.000 1.188 23 A CA 1.947 53.941 52.037 -0.070 0.000 0.631 23 A CB -0.763 18.189 19.000 -0.080 0.000 0.822 23 A HN 0.736 nan 8.150 nan 0.000 0.447 24 L N -0.642 120.549 121.223 -0.053 0.000 2.012 24 L HA -0.220 3.968 4.340 -0.255 0.000 0.210 24 L C 2.541 179.386 176.870 -0.042 0.000 1.073 24 L CA 2.803 57.613 54.840 -0.051 0.000 0.748 24 L CB -0.723 41.306 42.059 -0.050 0.000 0.891 24 L HN 0.500 nan 8.230 nan 0.000 0.431 25 Q N -0.228 119.549 119.800 -0.038 0.000 2.050 25 Q HA -0.174 4.013 4.340 -0.255 0.000 0.202 25 Q C 2.120 178.095 176.000 -0.042 0.000 0.980 25 Q CA 2.270 58.052 55.803 -0.036 0.000 0.840 25 Q CB -0.417 28.304 28.738 -0.029 0.000 0.898 25 Q HN 0.655 nan 8.270 nan 0.000 0.424 26 I N -0.393 120.146 120.570 -0.051 0.000 2.208 26 I HA -0.292 3.726 4.170 -0.255 0.000 0.245 26 I C 2.432 178.525 176.117 -0.040 0.000 1.097 26 I CA 1.394 62.659 61.300 -0.058 0.000 1.363 26 I CB -0.445 37.507 38.000 -0.079 0.000 1.051 26 I HN 0.209 nan 8.210 nan 0.000 0.413 27 S N 0.027 115.706 115.700 -0.035 0.000 2.382 27 S HA -0.223 4.094 4.470 -0.255 0.000 0.228 27 S C 1.956 176.547 174.600 -0.015 0.000 1.027 27 S CA 1.444 59.633 58.200 -0.019 0.000 0.991 27 S CB -0.130 63.058 63.200 -0.020 0.000 0.823 27 S HN 0.451 nan 8.310 nan 0.000 0.469 28 Q N 0.135 119.921 119.800 -0.023 0.000 2.436 28 Q HA 0.142 4.329 4.340 -0.255 0.000 0.209 28 Q C 1.557 177.545 176.000 -0.020 0.000 0.965 28 Q CA 0.741 56.532 55.803 -0.019 0.000 0.910 28 Q CB 0.065 28.789 28.738 -0.023 0.000 0.980 28 Q HN 0.388 nan 8.270 nan 0.000 0.491 29 S N -0.779 114.905 115.700 -0.025 0.000 2.631 29 S HA 0.142 4.459 4.470 -0.255 0.000 0.217 29 S C 1.115 175.704 174.600 -0.019 0.000 0.958 29 S CA 0.553 58.737 58.200 -0.027 0.000 0.920 29 S CB 0.512 63.689 63.200 -0.038 0.000 0.776 29 S HN 0.646 nan 8.310 nan 0.000 0.517 30 G N 1.078 109.871 108.800 -0.011 0.000 2.175 30 G HA2 -0.235 3.573 3.960 -0.255 0.000 0.244 30 G HA3 -0.235 3.573 3.960 -0.255 0.000 0.244 30 G C -0.139 174.762 174.900 0.002 0.000 0.982 30 G CA -0.294 44.804 45.100 -0.004 0.000 0.641 30 G HN 0.501 nan 8.290 nan 0.000 0.527 31 Q N 1.160 120.960 119.800 -0.001 0.000 2.235 31 Q HA 0.558 4.745 4.340 -0.255 0.000 0.250 31 Q C 0.841 176.862 176.000 0.035 0.000 0.909 31 Q CA 0.176 55.984 55.803 0.009 0.000 0.910 31 Q CB 1.209 29.942 28.738 -0.009 0.000 1.223 31 Q HN 0.463 nan 8.270 nan 0.000 0.432 32 T N -1.648 112.948 114.554 0.071 0.000 2.918 32 T HA 0.348 4.545 4.350 -0.255 0.000 0.302 32 T C -0.250 174.557 174.700 0.179 0.000 1.045 32 T CA -0.688 61.504 62.100 0.153 0.000 1.114 32 T CB 0.750 69.743 68.868 0.207 0.000 0.965 32 T HN 0.655 nan 8.240 nan 0.000 0.540 33 C N 2.801 122.193 119.300 0.153 0.000 2.701 33 C HA 0.774 5.081 4.460 -0.255 0.000 0.336 33 C C -0.366 174.468 174.990 -0.260 0.000 1.123 33 C CA -0.309 58.686 59.018 -0.038 0.000 1.326 33 C CB 0.190 27.896 27.740 -0.057 0.000 1.833 33 C HN 1.320 nan 8.230 nan 0.000 0.473 34 A N 5.141 127.614 122.820 -0.578 0.000 2.287 34 A HA 0.711 4.878 4.320 -0.255 0.000 0.317 34 A C -1.047 176.294 177.584 -0.405 0.000 1.220 34 A CA -0.416 51.185 52.037 -0.725 0.000 0.835 34 A CB 0.863 18.956 19.000 -1.513 0.000 1.180 34 A HN 1.149 nan 8.150 nan 0.000 0.500 35 L N 3.792 124.889 121.223 -0.210 0.000 2.262 35 L HA 0.623 4.810 4.340 -0.255 0.000 0.288 35 L C -1.186 175.597 176.870 -0.145 0.000 1.035 35 L CA -0.304 54.433 54.840 -0.172 0.000 0.820 35 L CB 0.694 42.686 42.059 -0.112 0.000 1.204 35 L HN 0.564 nan 8.230 nan 0.000 0.424 36 L N 4.024 125.109 121.223 -0.230 0.000 2.334 36 L HA 0.740 4.927 4.340 -0.255 0.000 0.275 36 L C 0.067 176.884 176.870 -0.089 0.000 1.036 36 L CA 0.168 54.888 54.840 -0.200 0.000 0.807 36 L CB 1.799 43.633 42.059 -0.375 0.000 1.231 36 L HN 0.701 nan 8.230 nan 0.000 0.438 37 S N 0.203 115.912 115.700 0.015 0.000 2.543 37 S HA 0.358 4.675 4.470 -0.255 0.000 0.271 37 S C 0.231 174.890 174.600 0.099 0.000 1.148 37 S CA -0.703 57.508 58.200 0.019 0.000 0.914 37 S CB 1.060 64.252 63.200 -0.014 0.000 1.096 37 S HN 0.712 nan 8.310 nan 0.000 0.471 38 K N 1.806 122.251 120.400 0.076 0.000 2.400 38 K HA 0.210 4.378 4.320 -0.255 0.000 0.194 38 K C 0.611 177.296 176.600 0.140 0.000 1.033 38 K CA 0.460 56.828 56.287 0.134 0.000 1.021 38 K CB -0.190 32.411 32.500 0.169 0.000 0.808 38 K HN 0.409 nan 8.250 nan 0.000 0.505 39 V N -2.133 117.855 119.914 0.123 0.000 3.113 39 V HA 0.462 4.429 4.120 -0.255 0.000 0.316 39 V C -0.209 175.976 176.094 0.150 0.000 1.125 39 V CA -1.520 60.874 62.300 0.157 0.000 1.026 39 V CB 0.953 32.857 31.823 0.134 0.000 1.080 39 V HN 0.090 nan 8.190 nan 0.000 0.444 40 F N 3.213 123.192 119.950 0.048 0.000 2.629 40 F HA 0.294 4.668 4.527 -0.255 0.000 0.377 40 F C -1.586 174.156 175.800 -0.096 0.000 1.101 40 F CA -0.994 56.995 58.000 -0.018 0.000 1.301 40 F CB 0.895 39.870 39.000 -0.041 0.000 1.062 40 F HN 0.432 nan 8.300 nan 0.000 0.583 41 P HA -0.187 nan 4.420 nan 0.000 0.216 41 P C 1.234 178.218 177.300 -0.527 0.000 1.150 41 P CA 2.494 65.222 63.100 -0.621 0.000 0.843 41 P CB -0.174 31.142 31.700 -0.639 0.000 0.787 42 T N -3.658 110.479 114.554 -0.695 0.000 3.252 42 T HA 0.081 4.278 4.350 -0.255 0.000 0.250 42 T C 1.147 175.757 174.700 -0.149 0.000 1.123 42 T CA 0.062 61.879 62.100 -0.472 0.000 1.006 42 T CB -0.564 67.915 68.868 -0.648 0.000 0.992 42 T HN 0.024 nan 8.240 nan 0.000 0.547 43 R N 0.952 121.430 120.500 -0.037 0.000 2.393 43 R HA 0.333 4.521 4.340 -0.255 0.000 0.244 43 R C 0.292 176.621 176.300 0.049 0.000 0.920 43 R CA -0.141 55.995 56.100 0.061 0.000 1.076 43 R CB -0.031 30.346 30.300 0.129 0.000 1.119 43 R HN 0.319 nan 8.270 nan 0.000 0.524 44 S N 0.928 116.624 115.700 -0.006 0.000 2.584 44 S HA -0.030 4.287 4.470 -0.255 0.000 0.270 44 S C 1.136 175.784 174.600 0.079 0.000 1.346 44 S CA -0.275 57.942 58.200 0.029 0.000 1.018 44 S CB 0.837 64.026 63.200 -0.017 0.000 0.899 44 S HN 0.390 nan 8.310 nan 0.000 0.542 45 H N 2.002 121.081 119.070 0.015 0.000 2.422 45 H HA -0.089 4.314 4.556 -0.256 0.000 0.298 45 H C 1.869 177.217 175.328 0.034 0.000 1.098 45 H CA 2.330 58.394 56.048 0.028 0.000 1.315 45 H CB -0.582 29.192 29.762 0.020 0.000 1.382 45 H HN 0.638 nan 8.280 nan 0.000 0.523 46 T N -0.500 114.053 114.554 -0.002 0.000 2.714 46 T HA -0.235 3.963 4.350 -0.255 0.000 0.268 46 T C 2.148 176.803 174.700 -0.075 0.000 1.036 46 T CA 1.406 63.478 62.100 -0.047 0.000 1.148 46 T CB -0.808 68.053 68.868 -0.012 0.000 0.856 46 T HN 0.263 nan 8.240 nan 0.000 0.462 47 V N 0.963 120.846 119.914 -0.052 0.000 2.688 47 V HA -0.152 3.816 4.120 -0.255 0.000 0.256 47 V C 2.229 178.339 176.094 0.027 0.000 1.084 47 V CA 1.899 64.206 62.300 0.012 0.000 1.103 47 V CB -0.437 31.414 31.823 0.047 0.000 0.688 47 V HN 0.446 nan 8.190 nan 0.000 0.480 48 S N -0.208 115.426 115.700 -0.110 0.000 2.558 48 S HA 0.357 4.675 4.470 -0.255 0.000 0.217 48 S C 0.928 175.460 174.600 -0.113 0.000 0.975 48 S CA 0.368 58.492 58.200 -0.126 0.000 0.912 48 S CB -0.123 62.920 63.200 -0.262 0.000 0.776 48 S HN 0.705 nan 8.310 nan 0.000 0.526 49 A N 1.220 123.975 122.820 -0.108 0.000 2.483 49 A HA 0.252 4.419 4.320 -0.255 0.000 0.238 49 A C 0.855 178.462 177.584 0.038 0.000 1.070 49 A CA 0.078 52.105 52.037 -0.018 0.000 0.770 49 A CB 0.327 19.330 19.000 0.005 0.000 1.008 49 A HN 0.471 nan 8.150 nan 0.000 0.497 50 Q N 1.798 121.646 119.800 0.079 0.000 2.652 50 Q HA 0.121 4.309 4.340 -0.255 0.000 0.211 50 Q C 2.127 178.200 176.000 0.122 0.000 0.858 50 Q CA 0.547 56.406 55.803 0.092 0.000 0.895 50 Q CB -0.004 28.788 28.738 0.088 0.000 1.194 50 Q HN 0.864 nan 8.270 nan 0.000 0.645 51 G N 0.544 109.461 108.800 0.195 0.000 2.422 51 G HA2 0.221 4.029 3.960 -0.255 0.000 0.218 51 G HA3 0.221 4.029 3.960 -0.255 0.000 0.218 51 G C 0.611 175.499 174.900 -0.019 0.000 1.146 51 G CA 0.908 46.155 45.100 0.245 0.000 0.769 51 G HN 0.531 nan 8.290 nan 0.000 0.547 52 G N -1.286 107.445 108.800 -0.115 0.000 2.340 52 G HA2 0.215 4.022 3.960 -0.255 0.000 0.282 52 G HA3 0.215 4.022 3.960 -0.255 0.000 0.282 52 G C -1.438 173.359 174.900 -0.172 0.000 1.312 52 G CA -0.637 44.392 45.100 -0.117 0.000 0.942 52 G HN 0.409 nan 8.290 nan 0.000 0.495 53 I N 1.274 121.783 120.570 -0.101 0.000 2.355 53 I HA 0.370 4.388 4.170 -0.255 0.000 0.288 53 I C 0.211 176.236 176.117 -0.153 0.000 0.999 53 I CA -0.588 60.666 61.300 -0.076 0.000 1.163 53 I CB 1.947 39.970 38.000 0.039 0.000 1.316 53 I HN 0.363 nan 8.210 nan 0.000 0.454 54 T N 6.115 120.570 114.554 -0.166 0.000 2.761 54 T HA 0.393 4.591 4.350 -0.255 0.000 0.296 54 T C -0.385 174.195 174.700 -0.201 0.000 0.934 54 T CA -0.156 61.812 62.100 -0.220 0.000 1.091 54 T CB 0.890 69.652 68.868 -0.177 0.000 0.896 54 T HN 0.378 nan 8.240 nan 0.000 0.515 55 V N 2.719 122.470 119.914 -0.272 0.000 2.950 55 V HA 0.634 4.601 4.120 -0.255 0.000 0.295 55 V C -0.673 175.312 176.094 -0.182 0.000 1.297 55 V CA -0.956 61.246 62.300 -0.164 0.000 0.962 55 V CB 1.835 33.605 31.823 -0.088 0.000 1.081 55 V HN 0.928 nan 8.190 nan 0.000 0.432 56 A N 6.535 129.314 122.820 -0.068 0.000 3.052 56 A HA 0.360 4.528 4.320 -0.255 0.000 0.266 56 A C 0.970 178.493 177.584 -0.101 0.000 1.855 56 A CA 0.074 52.071 52.037 -0.067 0.000 1.473 56 A CB -0.674 18.358 19.000 0.055 0.000 1.038 56 A HN 0.959 nan 8.150 nan 0.000 0.619 57 L N 0.774 121.900 121.223 -0.162 0.000 2.156 57 L HA 0.050 4.237 4.340 -0.255 0.000 0.208 57 L C 1.936 178.707 176.870 -0.166 0.000 1.095 57 L CA 0.936 55.675 54.840 -0.168 0.000 0.770 57 L CB -0.317 41.613 42.059 -0.215 0.000 0.914 57 L HN 0.793 nan 8.230 nan 0.000 0.439 58 G N -0.047 108.627 108.800 -0.210 0.000 2.160 58 G HA2 -0.270 3.537 3.960 -0.255 0.000 0.244 58 G HA3 -0.270 3.537 3.960 -0.255 0.000 0.244 58 G C 0.525 175.310 174.900 -0.191 0.000 1.022 58 G CA 0.525 45.499 45.100 -0.211 0.000 0.741 58 G HN 0.321 nan 8.290 nan 0.000 0.508 59 N N -0.084 118.487 118.700 -0.216 0.000 2.197 59 N HA 0.012 4.599 4.740 -0.255 0.000 0.184 59 N C 2.258 177.685 175.510 -0.138 0.000 1.030 59 N CA 1.750 54.706 53.050 -0.157 0.000 0.851 59 N CB -0.489 37.904 38.487 -0.158 0.000 1.003 59 N HN 0.327 nan 8.380 nan 0.000 0.430 60 T N 0.061 114.493 114.554 -0.204 0.000 3.023 60 T HA -0.018 4.180 4.350 -0.255 0.000 0.266 60 T C -0.166 174.531 174.700 -0.006 0.000 1.093 60 T CA 0.927 62.963 62.100 -0.106 0.000 1.129 60 T CB -0.158 68.639 68.868 -0.119 0.000 0.899 60 T HN 0.599 nan 8.240 nan 0.000 0.491 61 H N -1.546 117.516 119.070 -0.014 0.000 3.024 61 H HA 0.577 4.980 4.556 -0.255 0.000 0.324 61 H C -1.118 174.221 175.328 0.018 0.000 1.347 61 H CA -1.120 54.937 56.048 0.015 0.000 1.182 61 H CB 0.468 30.252 29.762 0.037 0.000 1.889 61 H HN -0.050 nan 8.280 nan 0.000 0.528 62 E N 0.683 120.992 120.200 0.182 0.000 2.452 62 E HA 0.105 4.302 4.350 -0.255 0.000 0.261 62 E C -0.707 176.000 176.600 0.179 0.000 0.987 62 E CA 0.554 57.011 56.400 0.096 0.000 0.926 62 E CB 0.485 30.241 29.700 0.093 0.000 0.934 62 E HN 0.529 nan 8.360 nan 0.000 0.452 63 D N 1.736 122.077 120.400 -0.098 0.000 2.732 63 D HA 0.399 4.886 4.640 -0.255 0.000 0.292 63 D C -1.607 174.303 176.300 -0.651 0.000 1.135 63 D CA -0.596 53.282 54.000 -0.204 0.000 1.071 63 D CB 1.370 42.095 40.800 -0.124 0.000 1.457 63 D HN 0.352 nan 8.370 nan 0.000 0.547 64 N N 0.857 119.101 118.700 -0.761 0.000 2.493 64 N HA 0.044 4.632 4.740 -0.255 0.000 0.279 64 N C 0.838 176.087 175.510 -0.435 0.000 1.082 64 N CA -0.614 51.914 53.050 -0.870 0.000 0.963 64 N CB 0.695 38.085 38.487 -1.827 0.000 1.627 64 N HN 0.641 nan 8.380 nan 0.000 0.499 65 W N 3.787 124.978 121.300 -0.181 0.000 2.341 65 W HA -0.089 4.418 4.660 -0.255 0.000 0.283 65 W C 0.416 176.986 176.519 0.084 0.000 1.215 65 W CA 0.818 58.162 57.345 -0.002 0.000 1.211 65 W CB -0.374 29.080 29.460 -0.010 0.000 1.131 65 W HN 0.572 nan 8.180 nan 0.000 0.552 66 E N 0.009 119.729 120.200 -0.801 0.000 2.152 66 E HA -0.162 4.035 4.350 -0.255 0.000 0.192 66 E C 1.973 178.641 176.600 0.113 0.000 0.983 66 E CA 1.513 57.644 56.400 -0.449 0.000 0.818 66 E CB -0.601 28.818 29.700 -0.469 0.000 0.758 66 E HN 0.199 nan 8.360 nan 0.000 0.467 67 W N 0.796 121.921 121.300 -0.292 0.000 2.358 67 W HA -0.137 4.371 4.660 -0.253 0.000 0.303 67 W C 2.105 178.661 176.519 0.062 0.000 1.208 67 W CA 0.918 58.081 57.345 -0.303 0.000 1.274 67 W CB -1.371 27.884 29.460 -0.341 0.000 1.138 67 W HN 0.336 nan 8.180 nan 0.000 0.515 68 H N -0.541 118.666 119.070 0.229 0.000 2.357 68 H HA -0.167 4.236 4.556 -0.255 0.000 0.301 68 H C 2.327 177.780 175.328 0.209 0.000 1.082 68 H CA 1.623 57.794 56.048 0.205 0.000 1.342 68 H CB -0.106 29.767 29.762 0.185 0.000 1.389 68 H HN 0.026 nan 8.280 nan 0.000 0.511 69 M N 0.116 119.861 119.600 0.242 0.000 2.117 69 M HA -0.236 4.091 4.480 -0.255 0.000 0.262 69 M C 2.180 178.522 176.300 0.069 0.000 1.065 69 M CA 1.812 57.230 55.300 0.198 0.000 1.114 69 M CB -0.315 32.552 32.600 0.444 0.000 1.361 69 M HN 0.387 nan 8.290 nan 0.000 0.408 70 Y N 1.238 121.454 120.300 -0.139 0.000 2.114 70 Y HA -0.297 4.100 4.550 -0.255 0.000 0.284 70 Y C 1.851 177.601 175.900 -0.250 0.000 1.143 70 Y CA 2.242 59.997 58.100 -0.575 0.000 1.135 70 Y CB -0.507 37.767 38.460 -0.311 0.000 0.980 70 Y HN 0.328 nan 8.280 nan 0.000 0.499 71 D N -0.588 119.858 120.400 0.076 0.000 2.149 71 D HA -0.166 4.321 4.640 -0.255 0.000 0.198 71 D C 2.066 178.339 176.300 -0.044 0.000 0.990 71 D CA 1.993 56.020 54.000 0.045 0.000 0.839 71 D CB -0.345 40.593 40.800 0.230 0.000 0.948 71 D HN 0.428 nan 8.370 nan 0.000 0.460 72 T N 0.423 114.971 114.554 -0.010 0.000 2.770 72 T HA -0.058 4.139 4.350 -0.255 0.000 0.263 72 T C 2.312 176.944 174.700 -0.113 0.000 1.039 72 T CA 0.588 62.682 62.100 -0.010 0.000 1.142 72 T CB -0.236 68.626 68.868 -0.009 0.000 0.868 72 T HN -0.040 nan 8.240 nan 0.000 0.435 73 V N 2.044 121.839 119.914 -0.198 0.000 2.287 73 V HA -0.209 3.758 4.120 -0.255 0.000 0.248 73 V C 2.517 178.251 176.094 -0.601 0.000 1.053 73 V CA 1.942 64.073 62.300 -0.281 0.000 1.027 73 V CB -0.592 31.125 31.823 -0.177 0.000 0.646 73 V HN 0.477 nan 8.190 nan 0.000 0.447 74 K N 0.510 120.480 120.400 -0.717 0.000 2.057 74 K HA -0.130 4.037 4.320 -0.255 0.000 0.207 74 K C 2.185 178.529 176.600 -0.428 0.000 1.049 74 K CA 1.740 57.545 56.287 -0.803 0.000 0.931 74 K CB -0.711 31.367 32.500 -0.703 0.000 0.714 74 K HN 0.438 nan 8.250 nan 0.000 0.440 75 G N 0.712 109.395 108.800 -0.194 0.000 2.469 75 G HA2 -0.314 3.493 3.960 -0.255 0.000 0.220 75 G HA3 -0.314 3.493 3.960 -0.255 0.000 0.220 75 G C 1.495 176.382 174.900 -0.023 0.000 1.136 75 G CA 1.217 46.324 45.100 0.011 0.000 0.759 75 G HN 0.532 nan 8.290 nan 0.000 0.562 76 S N -0.160 115.483 115.700 -0.095 0.000 2.603 76 S HA 0.016 4.333 4.470 -0.255 0.000 0.229 76 S C 1.028 175.590 174.600 -0.063 0.000 0.972 76 S CA 1.033 59.208 58.200 -0.041 0.000 0.935 76 S CB -0.092 63.088 63.200 -0.033 0.000 0.769 76 S HN 0.321 nan 8.310 nan 0.000 0.536 77 D N 0.328 120.632 120.400 -0.159 0.000 2.772 77 D HA -0.255 4.232 4.640 -0.255 0.000 0.233 77 D C -0.442 175.887 176.300 0.048 0.000 1.143 77 D CA 1.009 54.977 54.000 -0.054 0.000 0.700 77 D CB -2.005 38.846 40.800 0.085 0.000 1.076 77 D HN 0.644 nan 8.370 nan 0.000 0.430 78 Y N -3.748 116.564 120.300 0.020 0.000 4.907 78 Y HA -0.354 4.042 4.550 -0.256 0.000 0.246 78 Y C 1.633 177.539 175.900 0.010 0.000 0.968 78 Y CA 1.260 59.373 58.100 0.022 0.000 1.961 78 Y CB -2.353 36.121 38.460 0.023 0.000 1.487 78 Y HN 0.499 nan 8.280 nan 0.000 0.575 79 I N -1.999 118.606 120.570 0.059 0.000 3.941 79 I HA 0.540 4.557 4.170 -0.255 0.000 0.335 79 I C 1.248 177.372 176.117 0.012 0.000 1.402 79 I CA 0.148 61.428 61.300 -0.033 0.000 1.112 79 I CB 0.166 38.104 38.000 -0.103 0.000 1.043 79 I HN 0.134 nan 8.210 nan 0.000 0.395 80 G N 1.318 110.151 108.800 0.056 0.000 2.432 80 G HA2 0.173 3.980 3.960 -0.255 0.000 0.257 80 G HA3 0.173 3.980 3.960 -0.255 0.000 0.257 80 G C -0.657 174.312 174.900 0.115 0.000 1.238 80 G CA -0.368 44.788 45.100 0.093 0.000 0.838 80 G HN 0.241 nan 8.290 nan 0.000 0.547 81 D N 1.870 122.353 120.400 0.138 0.000 2.343 81 D HA 0.045 4.532 4.640 -0.255 0.000 0.255 81 D C 1.244 177.617 176.300 0.121 0.000 1.187 81 D CA 0.194 54.274 54.000 0.134 0.000 0.875 81 D CB 1.836 42.704 40.800 0.114 0.000 1.136 81 D HN 0.489 nan 8.370 nan 0.000 0.469 82 Q N 1.375 121.259 119.800 0.141 0.000 2.172 82 Q HA -0.125 4.063 4.340 -0.255 0.000 0.200 82 Q C 1.394 177.501 176.000 0.178 0.000 0.964 82 Q CA 0.814 56.724 55.803 0.178 0.000 0.855 82 Q CB 0.209 29.072 28.738 0.208 0.000 0.918 82 Q HN 0.525 nan 8.270 nan 0.000 0.444 83 D N 0.830 121.313 120.400 0.139 0.000 2.144 83 D HA -0.155 4.332 4.640 -0.255 0.000 0.199 83 D C 1.647 178.043 176.300 0.160 0.000 0.984 83 D CA 1.469 55.550 54.000 0.134 0.000 0.834 83 D CB -0.228 40.624 40.800 0.085 0.000 0.955 83 D HN 0.164 nan 8.370 nan 0.000 0.465 84 A N 0.693 123.596 122.820 0.137 0.000 1.897 84 A HA 0.060 4.227 4.320 -0.255 0.000 0.215 84 A C 2.545 180.295 177.584 0.277 0.000 1.181 84 A CA 0.843 52.990 52.037 0.184 0.000 0.620 84 A CB -0.685 18.342 19.000 0.045 0.000 0.821 84 A HN 0.259 nan 8.150 nan 0.000 0.443 85 I N -0.270 120.415 120.570 0.191 0.000 2.286 85 I HA -0.249 3.768 4.170 -0.255 0.000 0.248 85 I C 2.530 178.761 176.117 0.191 0.000 1.115 85 I CA 1.726 63.127 61.300 0.167 0.000 1.392 85 I CB -0.275 37.801 38.000 0.126 0.000 1.065 85 I HN 0.576 nan 8.210 nan 0.000 0.418 86 E N 0.854 121.199 120.200 0.241 0.000 2.077 86 E HA -0.300 3.898 4.350 -0.255 0.000 0.193 86 E C 2.329 178.971 176.600 0.070 0.000 0.989 86 E CA 1.363 57.920 56.400 0.262 0.000 0.800 86 E CB -0.277 29.603 29.700 0.300 0.000 0.746 86 E HN 0.503 nan 8.360 nan 0.000 0.452 87 Y N 1.043 121.347 120.300 0.008 0.000 2.128 87 Y HA -0.257 4.140 4.550 -0.255 0.000 0.284 87 Y C 2.396 178.211 175.900 -0.141 0.000 1.154 87 Y CA 2.392 60.452 58.100 -0.066 0.000 1.149 87 Y CB -0.254 38.227 38.460 0.035 0.000 0.976 87 Y HN 0.101 nan 8.280 nan 0.000 0.505 88 M N -1.082 118.520 119.600 0.003 0.000 2.099 88 M HA -0.234 4.093 4.480 -0.255 0.000 0.262 88 M C 2.116 178.303 176.300 -0.188 0.000 1.067 88 M CA 2.301 57.501 55.300 -0.166 0.000 1.124 88 M CB -0.591 32.032 32.600 0.038 0.000 1.353 88 M HN 0.443 nan 8.290 nan 0.000 0.410 89 C N 0.473 119.709 119.300 -0.108 0.000 2.440 89 C HA -0.098 4.209 4.460 -0.255 0.000 0.278 89 C C 2.656 177.598 174.990 -0.080 0.000 1.295 89 C CA 1.291 60.292 59.018 -0.027 0.000 1.738 89 C CB -1.010 26.780 27.740 0.084 0.000 1.987 89 C HN 0.605 nan 8.230 nan 0.000 0.492 90 K N 0.879 121.012 120.400 -0.446 0.000 2.116 90 K HA -0.065 4.102 4.320 -0.255 0.000 0.203 90 K C 1.804 178.052 176.600 -0.587 0.000 1.052 90 K CA 1.765 57.504 56.287 -0.913 0.000 0.952 90 K CB -0.562 31.099 32.500 -1.397 0.000 0.729 90 K HN 0.306 nan 8.250 nan 0.000 0.446 91 T N -0.121 114.095 114.554 -0.564 0.000 2.985 91 T HA 0.046 4.243 4.350 -0.255 0.000 0.266 91 T C 1.586 176.088 174.700 -0.329 0.000 1.076 91 T CA 0.880 62.669 62.100 -0.517 0.000 1.135 91 T CB -0.418 67.962 68.868 -0.814 0.000 0.890 91 T HN 0.514 nan 8.240 nan 0.000 0.480 92 G N 2.648 111.295 108.800 -0.254 0.000 2.553 92 G HA2 -0.213 3.594 3.960 -0.255 0.000 0.218 92 G HA3 -0.213 3.594 3.960 -0.255 0.000 0.218 92 G C -0.702 174.127 174.900 -0.118 0.000 1.195 92 G CA 0.829 45.846 45.100 -0.140 0.000 0.779 92 G HN 0.394 nan 8.290 nan 0.000 0.577 93 P HA -0.112 nan 4.420 nan 0.000 0.214 93 P C 1.756 178.980 177.300 -0.127 0.000 1.163 93 P CA 1.609 64.642 63.100 -0.112 0.000 0.889 93 P CB -0.064 31.579 31.700 -0.095 0.000 0.790 94 E N -0.177 119.944 120.200 -0.132 0.000 2.106 94 E HA -0.186 4.011 4.350 -0.255 0.000 0.192 94 E C 1.859 178.389 176.600 -0.116 0.000 0.984 94 E CA 1.337 57.664 56.400 -0.120 0.000 0.806 94 E CB -0.489 29.142 29.700 -0.115 0.000 0.750 94 E HN 0.055 nan 8.360 nan 0.000 0.458 95 A N 1.159 123.906 122.820 -0.122 0.000 1.933 95 A HA -0.131 4.036 4.320 -0.255 0.000 0.218 95 A C 2.064 179.605 177.584 -0.072 0.000 1.175 95 A CA 1.108 53.086 52.037 -0.098 0.000 0.628 95 A CB -0.300 18.630 19.000 -0.117 0.000 0.814 95 A HN 0.289 nan 8.150 nan 0.000 0.444 96 I N -0.238 120.287 120.570 -0.076 0.000 2.406 96 I HA -0.092 3.925 4.170 -0.255 0.000 0.249 96 I C 2.361 178.439 176.117 -0.065 0.000 1.122 96 I CA 0.732 62.012 61.300 -0.033 0.000 1.431 96 I CB -1.433 36.539 38.000 -0.048 0.000 1.087 96 I HN 0.260 nan 8.210 nan 0.000 0.424 97 L N 0.504 121.631 121.223 -0.160 0.000 2.079 97 L HA -0.230 3.958 4.340 -0.255 0.000 0.210 97 L C 2.516 179.133 176.870 -0.423 0.000 1.081 97 L CA 1.438 56.105 54.840 -0.287 0.000 0.752 97 L CB -0.558 41.327 42.059 -0.290 0.000 0.896 97 L HN 0.322 nan 8.230 nan 0.000 0.433 98 E N 0.724 120.783 120.200 -0.235 0.000 2.118 98 E HA -0.227 3.970 4.350 -0.255 0.000 0.195 98 E C 2.315 178.884 176.600 -0.051 0.000 0.992 98 E CA 1.019 57.341 56.400 -0.130 0.000 0.804 98 E CB -0.042 29.633 29.700 -0.041 0.000 0.741 98 E HN 0.485 nan 8.360 nan 0.000 0.458 99 L N 0.933 122.148 121.223 -0.013 0.000 2.083 99 L HA -0.164 4.023 4.340 -0.255 0.000 0.209 99 L C 2.809 179.721 176.870 0.070 0.000 1.083 99 L CA 1.141 56.002 54.840 0.035 0.000 0.752 99 L CB -0.531 41.572 42.059 0.074 0.000 0.899 99 L HN 0.218 nan 8.230 nan 0.000 0.433 100 E N 0.297 120.564 120.200 0.112 0.000 2.106 100 E HA -0.207 3.990 4.350 -0.255 0.000 0.192 100 E C 1.958 178.647 176.600 0.148 0.000 0.984 100 E CA 1.350 57.861 56.400 0.185 0.000 0.806 100 E CB -0.049 29.779 29.700 0.214 0.000 0.750 100 E HN 0.647 nan 8.360 nan 0.000 0.458 101 H N -0.864 118.245 119.070 0.065 0.000 2.491 101 H HA 0.031 4.434 4.556 -0.254 0.000 0.290 101 H C 1.891 177.229 175.328 0.016 0.000 1.050 101 H CA 0.732 56.799 56.048 0.031 0.000 1.309 101 H CB 0.122 29.893 29.762 0.015 0.000 1.392 101 H HN 0.138 nan 8.280 nan 0.000 0.554 102 M N -0.668 119.008 119.600 0.127 0.000 2.595 102 M HA 0.084 4.411 4.480 -0.255 0.000 0.248 102 M C 1.330 177.650 176.300 0.034 0.000 1.119 102 M CA 0.856 56.189 55.300 0.055 0.000 1.079 102 M CB 0.932 33.544 32.600 0.021 0.000 1.472 102 M HN 0.504 nan 8.290 nan 0.000 0.501 103 G N 1.049 109.880 108.800 0.051 0.000 2.184 103 G HA2 -0.205 3.602 3.960 -0.255 0.000 0.206 103 G HA3 -0.205 3.602 3.960 -0.255 0.000 0.206 103 G C -0.012 174.879 174.900 -0.014 0.000 0.995 103 G CA -0.601 44.517 45.100 0.030 0.000 0.651 103 G HN 0.380 nan 8.290 nan 0.000 0.511 104 L N 2.668 123.854 121.223 -0.062 0.000 2.706 104 L HA 0.220 4.407 4.340 -0.255 0.000 0.282 104 L C -1.129 175.608 176.870 -0.222 0.000 1.219 104 L CA -0.374 54.331 54.840 -0.225 0.000 0.935 104 L CB 0.586 42.381 42.059 -0.441 0.000 1.204 104 L HN 0.040 nan 8.230 nan 0.000 0.491 105 P HA 0.096 nan 4.420 nan 0.000 0.219 105 P C -0.545 176.721 177.300 -0.057 0.000 1.832 105 P CA -0.269 62.788 63.100 -0.072 0.000 1.014 105 P CB -0.230 31.451 31.700 -0.032 0.000 1.939 106 F N 0.635 120.606 119.950 0.034 0.000 2.545 106 F HA 0.030 4.404 4.527 -0.255 0.000 0.348 106 F C 1.709 177.537 175.800 0.047 0.000 1.163 106 F CA 0.783 58.809 58.000 0.043 0.000 1.331 106 F CB 0.169 39.189 39.000 0.034 0.000 1.138 106 F HN 0.088 nan 8.300 nan 0.000 0.602 107 S N 2.422 118.305 115.700 0.305 0.000 2.608 107 S HA 0.505 4.823 4.470 -0.255 0.000 0.261 107 S C -0.117 174.591 174.600 0.180 0.000 1.314 107 S CA -0.742 57.552 58.200 0.156 0.000 0.992 107 S CB 0.626 63.861 63.200 0.059 0.000 0.935 107 S HN 0.310 nan 8.310 nan 0.000 0.564 108 R N 0.820 121.369 120.500 0.081 0.000 2.628 108 R HA 0.448 4.635 4.340 -0.255 0.000 0.288 108 R C -0.643 175.708 176.300 0.085 0.000 0.980 108 R CA -0.603 55.553 56.100 0.095 0.000 0.891 108 R CB 0.764 31.101 30.300 0.061 0.000 1.188 108 R HN 0.530 nan 8.270 nan 0.000 0.450 109 L N 1.552 122.852 121.223 0.128 0.000 2.474 109 L HA 0.015 4.202 4.340 -0.255 0.000 0.259 109 L C 1.297 178.200 176.870 0.055 0.000 1.232 109 L CA -0.182 54.724 54.840 0.109 0.000 0.821 109 L CB 0.371 42.486 42.059 0.094 0.000 1.108 109 L HN 0.478 nan 8.230 nan 0.000 0.495 110 D N 0.376 120.804 120.400 0.046 0.000 2.182 110 D HA -0.170 4.317 4.640 -0.255 0.000 0.201 110 D C 1.214 177.529 176.300 0.025 0.000 0.986 110 D CA 1.339 55.356 54.000 0.029 0.000 0.847 110 D CB -0.173 40.642 40.800 0.026 0.000 0.942 110 D HN 0.627 nan 8.370 nan 0.000 0.467 111 D N -1.554 118.861 120.400 0.026 0.000 2.328 111 D HA 0.157 4.644 4.640 -0.255 0.000 0.226 111 D C 1.477 177.788 176.300 0.019 0.000 1.066 111 D CA 0.643 54.654 54.000 0.019 0.000 0.861 111 D CB -0.034 40.775 40.800 0.015 0.000 0.912 111 D HN 0.191 nan 8.370 nan 0.000 0.521 112 G N 0.091 108.906 108.800 0.025 0.000 2.175 112 G HA2 -0.308 3.499 3.960 -0.255 0.000 0.244 112 G HA3 -0.308 3.499 3.960 -0.255 0.000 0.244 112 G C 0.403 175.319 174.900 0.027 0.000 0.982 112 G CA -0.123 44.994 45.100 0.028 0.000 0.641 112 G HN 0.448 nan 8.290 nan 0.000 0.527 113 R N -0.233 120.276 120.500 0.016 0.000 2.637 113 R HA 0.561 4.749 4.340 -0.255 0.000 0.269 113 R C 0.911 177.207 176.300 -0.006 0.000 1.089 113 R CA -0.590 55.505 56.100 -0.009 0.000 1.177 113 R CB 0.604 30.886 30.300 -0.031 0.000 1.091 113 R HN 0.285 nan 8.270 nan 0.000 0.540 114 I N 2.178 122.702 120.570 -0.077 0.000 2.668 114 I HA -0.134 3.883 4.170 -0.255 0.000 0.285 114 I C 0.204 176.286 176.117 -0.058 0.000 1.168 114 I CA 0.276 61.500 61.300 -0.126 0.000 1.424 114 I CB -0.059 37.676 38.000 -0.441 0.000 1.377 114 I HN 0.436 nan 8.210 nan 0.000 0.560 115 Y N 7.535 127.786 120.300 -0.082 0.000 2.442 115 Y HA 0.143 4.540 4.550 -0.255 0.000 0.330 115 Y C -0.147 175.710 175.900 -0.072 0.000 1.129 115 Y CA -0.021 58.051 58.100 -0.047 0.000 1.365 115 Y CB 0.366 38.832 38.460 0.009 0.000 1.233 115 Y HN 0.502 nan 8.280 nan 0.000 0.529 116 Q N 6.628 125.999 119.800 -0.714 0.000 2.353 116 Q HA 0.455 4.642 4.340 -0.255 0.000 0.268 116 Q C -1.083 174.436 176.000 -0.802 0.000 1.045 116 Q CA -1.178 54.253 55.803 -0.621 0.000 0.811 116 Q CB 2.411 30.924 28.738 -0.376 0.000 1.305 116 Q HN 0.763 nan 8.270 nan 0.000 0.447 117 R N 0.693 120.886 120.500 -0.512 0.000 2.787 117 R HA 0.692 4.880 4.340 -0.255 0.000 0.271 117 R C -2.818 173.477 176.300 -0.009 0.000 0.993 117 R CA -2.241 53.715 56.100 -0.239 0.000 0.993 117 R CB 0.625 30.917 30.300 -0.013 0.000 1.155 117 R HN 0.196 nan 8.270 nan 0.000 0.486 118 P HA 0.081 nan 4.420 nan 0.000 0.268 118 P C -1.288 176.174 177.300 0.269 0.000 1.208 118 P CA 0.148 63.324 63.100 0.128 0.000 0.777 118 P CB 0.299 32.051 31.700 0.086 0.000 0.875 119 F N -0.559 119.382 119.950 -0.015 0.000 2.779 119 F HA 0.505 4.883 4.527 -0.248 0.000 0.316 119 F C 0.331 176.111 175.800 -0.034 0.000 1.164 119 F CA -0.502 57.486 58.000 -0.021 0.000 0.924 119 F CB 1.082 40.069 39.000 -0.022 0.000 1.348 119 F HN 0.298 nan 8.300 nan 0.000 0.467 120 G N 0.506 109.253 108.800 -0.089 0.000 2.380 120 G HA2 0.417 4.225 3.960 -0.255 0.000 0.242 120 G HA3 0.417 4.225 3.960 -0.255 0.000 0.242 120 G C 0.662 175.555 174.900 -0.013 0.000 1.298 120 G CA 0.382 45.411 45.100 -0.118 0.000 0.878 120 G HN 1.725 nan 8.290 nan 0.000 0.542 121 G N 1.004 109.771 108.800 -0.055 0.000 2.225 121 G HA2 -0.212 3.595 3.960 -0.255 0.000 0.264 121 G HA3 -0.212 3.595 3.960 -0.255 0.000 0.264 121 G C 0.102 175.084 174.900 0.137 0.000 1.060 121 G CA 0.378 45.509 45.100 0.052 0.000 0.833 121 G HN 0.886 nan 8.290 nan 0.000 0.498 122 Q N -0.077 119.794 119.800 0.118 0.000 2.330 122 Q HA 0.661 4.848 4.340 -0.255 0.000 0.269 122 Q C -0.093 175.964 176.000 0.094 0.000 1.022 122 Q CA -0.111 55.766 55.803 0.124 0.000 0.796 122 Q CB 2.245 31.051 28.738 0.114 0.000 1.271 122 Q HN 0.747 nan 8.270 nan 0.000 0.450 123 S N 1.475 117.226 115.700 0.085 0.000 2.588 123 S HA 0.616 4.934 4.470 -0.255 0.000 0.275 123 S C -1.012 173.496 174.600 -0.153 0.000 1.130 123 S CA -1.101 57.083 58.200 -0.027 0.000 0.855 123 S CB 1.960 65.157 63.200 -0.005 0.000 1.116 123 S HN 0.422 nan 8.310 nan 0.000 0.472 124 K N 0.888 121.056 120.400 -0.386 0.000 2.098 124 K HA 0.484 4.651 4.320 -0.255 0.000 0.258 124 K C -0.465 175.353 176.600 -1.304 0.000 0.973 124 K CA -0.704 55.025 56.287 -0.929 0.000 0.898 124 K CB 0.398 32.442 32.500 -0.760 0.000 1.057 124 K HN 0.824 nan 8.250 nan 0.000 0.447 125 N N 1.121 118.331 118.700 -2.483 0.000 2.754 125 N HA -0.199 4.388 4.740 -0.255 0.000 0.248 125 N C -1.281 173.757 175.510 -0.786 0.000 1.093 125 N CA 0.536 52.725 53.050 -1.437 0.000 0.699 125 N CB -1.577 36.487 38.487 -0.705 0.000 1.016 125 N HN 0.613 nan 8.380 nan 0.000 0.552 126 F N -1.683 117.768 119.950 -0.832 0.000 2.803 126 F HA -0.120 4.254 4.527 -0.255 0.000 0.323 126 F C 1.438 176.710 175.800 -0.881 0.000 1.033 126 F CA 1.224 58.602 58.000 -1.035 0.000 1.066 126 F CB -1.759 36.766 39.000 -0.793 0.000 1.283 126 F HN 0.489 nan 8.300 nan 0.000 0.816 127 G N -1.125 107.475 108.800 -0.333 0.000 2.159 127 G HA2 0.098 3.905 3.960 -0.255 0.000 0.227 127 G HA3 0.098 3.905 3.960 -0.255 0.000 0.227 127 G C 0.840 175.692 174.900 -0.081 0.000 0.986 127 G CA -0.013 45.078 45.100 -0.015 0.000 0.651 127 G HN 1.358 nan 8.290 nan 0.000 0.523 128 G N -0.319 108.358 108.800 -0.204 0.000 2.735 128 G HA2 0.475 4.282 3.960 -0.255 0.000 0.192 128 G HA3 0.475 4.282 3.960 -0.255 0.000 0.192 128 G C 0.305 175.114 174.900 -0.152 0.000 1.547 128 G CA 0.385 45.371 45.100 -0.190 0.000 1.080 128 G HN 0.685 nan 8.290 nan 0.000 0.569 129 E N -0.025 120.068 120.200 -0.178 0.000 2.467 129 E HA 0.020 4.218 4.350 -0.255 0.000 0.264 129 E C 0.228 176.748 176.600 -0.134 0.000 1.020 129 E CA -0.184 56.130 56.400 -0.144 0.000 0.945 129 E CB 0.372 29.972 29.700 -0.167 0.000 0.942 129 E HN 0.297 nan 8.360 nan 0.000 0.449 130 Q N 1.893 121.644 119.800 -0.082 0.000 2.283 130 Q HA 0.109 4.296 4.340 -0.255 0.000 0.301 130 Q C -1.278 174.673 176.000 -0.082 0.000 1.063 130 Q CA 0.620 56.394 55.803 -0.048 0.000 0.952 130 Q CB 0.834 29.560 28.738 -0.020 0.000 1.166 130 Q HN 0.503 nan 8.270 nan 0.000 0.381 131 A N 3.210 126.018 122.820 -0.019 0.000 2.269 131 A HA 0.871 5.039 4.320 -0.255 0.000 0.327 131 A C -0.967 176.724 177.584 0.178 0.000 1.112 131 A CA -0.257 51.810 52.037 0.051 0.000 0.865 131 A CB 1.349 20.443 19.000 0.157 0.000 1.227 131 A HN 0.993 nan 8.150 nan 0.000 0.498 132 A N 0.558 123.621 122.820 0.405 0.000 2.646 132 A HA 0.568 4.736 4.320 -0.255 0.000 0.312 132 A C 0.170 177.752 177.584 -0.004 0.000 1.245 132 A CA -0.484 51.645 52.037 0.154 0.000 0.755 132 A CB 0.046 19.119 19.000 0.122 0.000 1.132 132 A HN 0.990 nan 8.150 nan 0.000 0.458 133 R N 0.249 120.718 120.500 -0.052 0.000 2.600 133 R HA 0.223 4.411 4.340 -0.255 0.000 0.392 133 R C -0.781 175.381 176.300 -0.230 0.000 1.032 133 R CA -0.081 55.914 56.100 -0.174 0.000 1.139 133 R CB 0.158 30.355 30.300 -0.173 0.000 1.400 133 R HN 0.274 nan 8.270 nan 0.000 0.566 134 T N 1.788 116.205 114.554 -0.229 0.000 2.762 134 T HA 0.468 4.665 4.350 -0.255 0.000 0.303 134 T C 0.067 174.610 174.700 -0.262 0.000 0.977 134 T CA -0.320 61.595 62.100 -0.310 0.000 0.961 134 T CB 1.193 69.746 68.868 -0.524 0.000 0.944 134 T HN 0.383 nan 8.240 nan 0.000 0.481 135 A N 3.267 125.956 122.820 -0.218 0.000 2.450 135 A HA 0.694 4.862 4.320 -0.255 0.000 0.255 135 A C 0.472 178.100 177.584 0.074 0.000 1.096 135 A CA -0.543 51.393 52.037 -0.169 0.000 0.778 135 A CB 0.034 18.832 19.000 -0.337 0.000 1.031 135 A HN 0.982 nan 8.150 nan 0.000 0.494 136 A N 1.573 124.524 122.820 0.218 0.000 2.454 136 A HA 0.802 4.969 4.320 -0.255 0.000 0.302 136 A C -0.104 177.723 177.584 0.404 0.000 1.079 136 A CA -0.033 52.188 52.037 0.307 0.000 0.731 136 A CB 1.486 20.652 19.000 0.277 0.000 1.299 136 A HN 2.180 nan 8.150 nan 0.000 0.413 137 A N 1.345 124.302 122.820 0.227 0.000 2.511 137 A HA 0.724 4.892 4.320 -0.255 0.000 0.340 137 A C 0.918 178.559 177.584 0.095 0.000 1.396 137 A CA 0.657 52.771 52.037 0.128 0.000 0.887 137 A CB -0.981 18.021 19.000 0.003 0.000 1.145 137 A HN 2.826 nan 8.150 nan 0.000 0.497 138 A N 2.344 125.218 122.820 0.090 0.000 5.395 138 A HA -0.271 3.896 4.320 -0.255 0.000 0.324 138 A C 0.785 178.426 177.584 0.095 0.000 1.813 138 A CA 1.869 53.941 52.037 0.058 0.000 0.714 138 A CB -1.323 17.685 19.000 0.013 0.000 1.374 138 A HN 1.588 nan 8.150 nan 0.000 0.390 139 D N -0.411 120.029 120.400 0.066 0.000 2.891 139 D HA 0.395 4.883 4.640 -0.255 0.000 0.312 139 D C 0.340 176.675 176.300 0.059 0.000 1.354 139 D CA -0.027 54.022 54.000 0.082 0.000 0.838 139 D CB -0.270 40.579 40.800 0.081 0.000 1.117 139 D HN 0.602 nan 8.370 nan 0.000 0.473 140 R N -0.338 120.193 120.500 0.052 0.000 2.698 140 R HA 0.214 4.401 4.340 -0.255 0.000 0.422 140 R C 0.479 176.831 176.300 0.088 0.000 1.073 140 R CA -0.202 55.928 56.100 0.051 0.000 1.054 140 R CB 0.343 30.634 30.300 -0.015 0.000 1.373 140 R HN -0.034 nan 8.270 nan 0.000 0.593 141 T N -0.344 114.252 114.554 0.070 0.000 2.833 141 T HA -0.113 4.084 4.350 -0.255 0.000 0.269 141 T C 2.007 176.725 174.700 0.029 0.000 1.054 141 T CA 1.675 63.799 62.100 0.040 0.000 1.135 141 T CB 0.012 68.912 68.868 0.053 0.000 0.869 141 T HN 0.546 nan 8.240 nan 0.000 0.466 142 G N 0.694 109.525 108.800 0.051 0.000 2.402 142 G HA2 -0.258 3.549 3.960 -0.255 0.000 0.216 142 G HA3 -0.258 3.549 3.960 -0.255 0.000 0.216 142 G C 1.227 176.165 174.900 0.063 0.000 1.162 142 G CA 1.108 46.228 45.100 0.033 0.000 0.777 142 G HN 0.650 nan 8.290 nan 0.000 0.539 143 H N 1.082 120.169 119.070 0.028 0.000 2.290 143 H HA 0.031 4.434 4.556 -0.255 0.000 0.298 143 H C 2.722 178.124 175.328 0.123 0.000 1.087 143 H CA 2.360 58.472 56.048 0.107 0.000 1.291 143 H CB -0.302 29.507 29.762 0.079 0.000 1.369 143 H HN 0.278 nan 8.280 nan 0.000 0.492 144 A N 0.712 123.608 122.820 0.127 0.000 1.883 144 A HA -0.173 3.994 4.320 -0.255 0.000 0.217 144 A C 2.466 179.997 177.584 -0.088 0.000 1.186 144 A CA 1.814 53.848 52.037 -0.006 0.000 0.624 144 A CB -1.092 17.871 19.000 -0.062 0.000 0.822 144 A HN 0.531 nan 8.150 nan 0.000 0.444 145 L N -0.981 120.187 121.223 -0.091 0.000 1.994 145 L HA -0.117 4.070 4.340 -0.255 0.000 0.208 145 L C 2.263 179.088 176.870 -0.074 0.000 1.071 145 L CA 2.176 56.959 54.840 -0.095 0.000 0.745 145 L CB -0.645 41.377 42.059 -0.062 0.000 0.892 145 L HN 0.319 nan 8.230 nan 0.000 0.431 146 L N -0.766 120.406 121.223 -0.084 0.000 2.017 146 L HA -0.216 3.971 4.340 -0.255 0.000 0.208 146 L C 2.645 179.407 176.870 -0.180 0.000 1.073 146 L CA 1.823 56.582 54.840 -0.136 0.000 0.745 146 L CB -1.001 40.949 42.059 -0.182 0.000 0.894 146 L HN 0.424 nan 8.230 nan 0.000 0.432 147 H N -1.336 117.636 119.070 -0.163 0.000 2.387 147 H HA -0.112 4.291 4.556 -0.255 0.000 0.299 147 H C 2.000 177.310 175.328 -0.030 0.000 1.090 147 H CA 1.897 57.878 56.048 -0.111 0.000 1.332 147 H CB -0.233 29.372 29.762 -0.261 0.000 1.386 147 H HN 0.376 nan 8.280 nan 0.000 0.516 148 T N 1.274 115.845 114.554 0.027 0.000 2.777 148 T HA -0.075 4.122 4.350 -0.255 0.000 0.266 148 T C 2.429 177.121 174.700 -0.013 0.000 1.040 148 T CA 0.651 62.749 62.100 -0.003 0.000 1.141 148 T CB -0.235 68.604 68.868 -0.049 0.000 0.868 148 T HN 0.185 nan 8.240 nan 0.000 0.444 149 L N -0.437 120.773 121.223 -0.022 0.000 2.093 149 L HA -0.045 4.142 4.340 -0.255 0.000 0.208 149 L C 2.357 179.214 176.870 -0.021 0.000 1.085 149 L CA 1.236 56.058 54.840 -0.029 0.000 0.755 149 L CB -0.495 41.545 42.059 -0.032 0.000 0.904 149 L HN 0.262 nan 8.230 nan 0.000 0.435 150 Y N 1.049 121.270 120.300 -0.133 0.000 2.181 150 Y HA -0.295 4.103 4.550 -0.254 0.000 0.288 150 Y C 2.651 178.498 175.900 -0.089 0.000 1.146 150 Y CA 1.619 59.632 58.100 -0.145 0.000 1.164 150 Y CB -0.264 38.072 38.460 -0.207 0.000 0.982 150 Y HN 0.180 nan 8.280 nan 0.000 0.515 151 Q N -0.495 119.256 119.800 -0.082 0.000 2.096 151 Q HA -0.255 3.932 4.340 -0.255 0.000 0.204 151 Q C 2.185 178.072 176.000 -0.189 0.000 0.982 151 Q CA 1.738 57.459 55.803 -0.138 0.000 0.850 151 Q CB -0.185 28.541 28.738 -0.020 0.000 0.901 151 Q HN 0.503 nan 8.270 nan 0.000 0.422 152 Q N 0.223 119.940 119.800 -0.138 0.000 2.119 152 Q HA -0.087 4.101 4.340 -0.255 0.000 0.201 152 Q C 1.654 177.546 176.000 -0.179 0.000 0.972 152 Q CA 0.913 56.639 55.803 -0.129 0.000 0.847 152 Q CB -0.264 28.426 28.738 -0.080 0.000 0.903 152 Q HN 0.457 nan 8.270 nan 0.000 0.433 153 N N 0.478 119.045 118.700 -0.222 0.000 2.188 153 N HA -0.057 4.530 4.740 -0.255 0.000 0.184 153 N C 2.048 177.365 175.510 -0.322 0.000 1.018 153 N CA 0.647 53.551 53.050 -0.244 0.000 0.858 153 N CB -0.046 38.312 38.487 -0.215 0.000 0.989 153 N HN 0.231 nan 8.380 nan 0.000 0.426 154 L N 1.421 122.372 121.223 -0.454 0.000 2.012 154 L HA -0.187 4.000 4.340 -0.255 0.000 0.210 154 L C 2.602 179.223 176.870 -0.414 0.000 1.073 154 L CA 1.341 55.939 54.840 -0.402 0.000 0.748 154 L CB -0.461 41.370 42.059 -0.380 0.000 0.891 154 L HN 0.164 nan 8.230 nan 0.000 0.431 155 K N 0.696 120.892 120.400 -0.340 0.000 2.057 155 K HA -0.248 3.919 4.320 -0.255 0.000 0.207 155 K C 1.772 178.108 176.600 -0.440 0.000 1.049 155 K CA 2.049 58.133 56.287 -0.339 0.000 0.931 155 K CB -0.103 32.281 32.500 -0.192 0.000 0.714 155 K HN 0.188 nan 8.250 nan 0.000 0.440 156 N N -0.083 118.432 118.700 -0.309 0.000 2.461 156 N HA -0.114 4.473 4.740 -0.255 0.000 0.188 156 N C -0.670 174.766 175.510 -0.123 0.000 1.134 156 N CA 0.422 53.359 53.050 -0.188 0.000 0.878 156 N CB 0.138 38.560 38.487 -0.108 0.000 0.972 156 N HN 0.265 nan 8.380 nan 0.000 0.456 157 H N -1.657 117.367 119.070 -0.076 0.000 2.862 157 H HA -0.150 4.254 4.556 -0.254 0.000 0.290 157 H C -0.546 174.745 175.328 -0.061 0.000 1.211 157 H CA 1.182 57.191 56.048 -0.064 0.000 1.140 157 H CB -2.718 27.021 29.762 -0.039 0.000 1.341 157 H HN 0.208 nan 8.280 nan 0.000 0.392 158 T N 1.612 116.152 114.554 -0.023 0.000 2.946 158 T HA 0.068 4.266 4.350 -0.255 0.000 0.311 158 T C 0.988 175.669 174.700 -0.033 0.000 1.063 158 T CA 0.530 62.610 62.100 -0.034 0.000 1.139 158 T CB 0.639 69.460 68.868 -0.078 0.000 0.994 158 T HN 0.235 nan 8.240 nan 0.000 0.547 159 T N 4.987 119.524 114.554 -0.027 0.000 2.738 159 T HA 0.329 4.527 4.350 -0.255 0.000 0.293 159 T C 0.335 174.957 174.700 -0.131 0.000 0.913 159 T CA -0.093 61.966 62.100 -0.067 0.000 1.103 159 T CB -0.381 68.507 68.868 0.033 0.000 0.880 159 T HN 0.363 nan 8.240 nan 0.000 0.526 160 I N 3.588 124.038 120.570 -0.201 0.000 2.406 160 I HA 0.377 4.394 4.170 -0.255 0.000 0.290 160 I C -0.649 175.298 176.117 -0.283 0.000 0.999 160 I CA -0.884 60.333 61.300 -0.139 0.000 1.124 160 I CB 1.555 39.526 38.000 -0.048 0.000 1.289 160 I HN 0.541 nan 8.210 nan 0.000 0.441 161 F N 4.474 124.328 119.950 -0.160 0.000 2.309 161 F HA 0.245 4.619 4.527 -0.255 0.000 0.366 161 F C 0.868 176.751 175.800 0.138 0.000 1.104 161 F CA -0.374 57.529 58.000 -0.160 0.000 1.179 161 F CB 1.180 39.717 39.000 -0.771 0.000 1.437 161 F HN 0.351 nan 8.300 nan 0.000 0.528 162 S N 2.735 118.665 115.700 0.384 0.000 2.537 162 S HA 0.250 4.567 4.470 -0.255 0.000 0.275 162 S C 0.246 175.119 174.600 0.456 0.000 1.272 162 S CA -0.244 58.161 58.200 0.343 0.000 1.050 162 S CB 0.281 63.660 63.200 0.299 0.000 0.961 162 S HN 0.756 nan 8.310 nan 0.000 0.496 163 E N 1.759 122.159 120.200 0.334 0.000 2.340 163 E HA -0.182 4.016 4.350 -0.255 0.000 0.240 163 E C -1.629 175.064 176.600 0.156 0.000 1.154 163 E CA 0.604 57.137 56.400 0.221 0.000 0.717 163 E CB -1.418 28.402 29.700 0.201 0.000 1.250 163 E HN 0.608 nan 8.360 nan 0.000 0.386 164 W N 0.562 121.925 121.300 0.105 0.000 2.632 164 W HA 0.461 4.968 4.660 -0.255 0.000 0.328 164 W C -0.097 176.466 176.519 0.073 0.000 1.044 164 W CA -0.696 56.714 57.345 0.109 0.000 1.225 164 W CB 0.785 30.315 29.460 0.117 0.000 1.396 164 W HN 0.183 nan 8.180 nan 0.000 0.499 165 Y N 3.148 123.550 120.300 0.170 0.000 2.417 165 Y HA 0.629 5.026 4.550 -0.255 0.000 0.336 165 Y C 0.289 176.259 175.900 0.117 0.000 0.961 165 Y CA -1.044 57.105 58.100 0.082 0.000 1.215 165 Y CB 0.341 38.796 38.460 -0.009 0.000 1.120 165 Y HN 0.509 nan 8.280 nan 0.000 0.499 166 A N 6.816 129.474 122.820 -0.270 0.000 2.492 166 A HA 0.256 4.423 4.320 -0.255 0.000 0.254 166 A C 0.197 177.691 177.584 -0.151 0.000 1.091 166 A CA -0.082 51.868 52.037 -0.144 0.000 0.768 166 A CB 0.212 19.101 19.000 -0.186 0.000 1.028 166 A HN 1.085 nan 8.150 nan 0.000 0.498 167 L N 1.295 122.579 121.223 0.102 0.000 2.185 167 L HA 0.260 4.447 4.340 -0.255 0.000 0.198 167 L C 0.179 177.123 176.870 0.123 0.000 1.079 167 L CA 0.610 55.566 54.840 0.195 0.000 0.780 167 L CB 0.056 42.248 42.059 0.222 0.000 0.955 167 L HN 0.591 nan 8.230 nan 0.000 0.462 168 D N -1.233 119.225 120.400 0.096 0.000 2.706 168 D HA 0.370 4.857 4.640 -0.255 0.000 0.225 168 D C -1.036 175.304 176.300 0.066 0.000 1.241 168 D CA -0.478 53.565 54.000 0.071 0.000 0.784 168 D CB 2.549 43.393 40.800 0.072 0.000 1.521 168 D HN -0.153 nan 8.370 nan 0.000 0.461 169 L N 0.626 121.879 121.223 0.050 0.000 2.467 169 L HA 0.259 4.446 4.340 -0.255 0.000 0.270 169 L C 0.189 177.088 176.870 0.049 0.000 1.205 169 L CA -0.367 54.508 54.840 0.057 0.000 0.828 169 L CB 0.482 42.566 42.059 0.041 0.000 1.101 169 L HN 0.037 nan 8.230 nan 0.000 0.479 170 V N 2.844 122.798 119.914 0.067 0.000 2.370 170 V HA 0.301 4.268 4.120 -0.255 0.000 0.283 170 V C 0.145 176.255 176.094 0.027 0.000 1.023 170 V CA -0.768 61.540 62.300 0.012 0.000 0.857 170 V CB 1.312 33.103 31.823 -0.053 0.000 0.985 170 V HN 0.628 nan 8.190 nan 0.000 0.443 171 K N 3.483 123.883 120.400 -0.001 0.000 2.123 171 K HA 0.454 4.622 4.320 -0.255 0.000 0.259 171 K C -0.191 176.407 176.600 -0.003 0.000 0.960 171 K CA -0.678 55.613 56.287 0.006 0.000 0.872 171 K CB 1.571 34.070 32.500 -0.002 0.000 1.079 171 K HN 0.848 nan 8.250 nan 0.000 0.440 172 N N 0.185 118.891 118.700 0.010 0.000 2.476 172 N HA -0.050 4.537 4.740 -0.255 0.000 0.287 172 N C 0.679 176.188 175.510 -0.002 0.000 1.262 172 N CA -0.304 52.749 53.050 0.005 0.000 0.980 172 N CB 0.220 38.719 38.487 0.021 0.000 1.163 172 N HN 0.570 nan 8.380 nan 0.000 0.592 173 Q N -1.745 118.053 119.800 -0.003 0.000 2.364 173 Q HA -0.051 4.136 4.340 -0.255 0.000 0.207 173 Q C -0.377 175.620 176.000 -0.006 0.000 0.970 173 Q CA 1.212 57.011 55.803 -0.007 0.000 0.888 173 Q CB -0.264 28.470 28.738 -0.006 0.000 0.951 173 Q HN 0.538 nan 8.270 nan 0.000 0.469 174 D N 0.604 121.003 120.400 -0.002 0.000 2.349 174 D HA 0.077 4.564 4.640 -0.255 0.000 0.224 174 D C 0.857 177.153 176.300 -0.007 0.000 1.029 174 D CA 0.936 54.933 54.000 -0.004 0.000 0.879 174 D CB 0.582 41.382 40.800 -0.000 0.000 0.906 174 D HN 0.551 nan 8.370 nan 0.000 0.528 175 G N 0.697 109.493 108.800 -0.007 0.000 2.143 175 G HA2 -0.197 3.611 3.960 -0.255 0.000 0.249 175 G HA3 -0.197 3.611 3.960 -0.255 0.000 0.249 175 G C 0.422 175.317 174.900 -0.009 0.000 0.981 175 G CA 0.145 45.238 45.100 -0.011 0.000 0.665 175 G HN 0.598 nan 8.290 nan 0.000 0.528 176 A N -0.243 122.578 122.820 0.001 0.000 2.310 176 A HA 0.771 4.938 4.320 -0.255 0.000 0.299 176 A C 0.541 178.140 177.584 0.025 0.000 1.147 176 A CA -0.127 51.915 52.037 0.009 0.000 0.818 176 A CB 1.374 20.385 19.000 0.018 0.000 1.096 176 A HN 1.117 nan 8.150 nan 0.000 0.495 177 V N 2.813 122.745 119.914 0.030 0.000 2.508 177 V HA 0.223 4.190 4.120 -0.255 0.000 0.281 177 V C 0.900 177.050 176.094 0.094 0.000 1.041 177 V CA 0.608 62.942 62.300 0.057 0.000 1.016 177 V CB 1.099 32.954 31.823 0.053 0.000 0.984 177 V HN 1.010 nan 8.190 nan 0.000 0.478 178 V N 2.001 121.989 119.914 0.123 0.000 2.991 178 V HA 0.877 4.844 4.120 -0.255 0.000 0.355 178 V C 0.502 176.744 176.094 0.247 0.000 1.384 178 V CA 0.441 62.841 62.300 0.167 0.000 1.171 178 V CB -0.402 31.521 31.823 0.168 0.000 1.190 178 V HN 1.295 nan 8.190 nan 0.000 0.540 179 G N -0.266 108.669 108.800 0.225 0.000 2.270 179 G HA2 0.278 4.085 3.960 -0.255 0.000 0.268 179 G HA3 0.278 4.085 3.960 -0.255 0.000 0.268 179 G C -0.596 174.465 174.900 0.269 0.000 1.312 179 G CA 0.313 45.563 45.100 0.250 0.000 1.050 179 G HN 1.803 nan 8.290 nan 0.000 0.474 180 C N -1.605 117.893 119.300 0.329 0.000 3.239 180 C HA 0.932 5.240 4.460 -0.255 0.000 0.317 180 C C 0.399 175.607 174.990 0.363 0.000 1.310 180 C CA 0.265 59.436 59.018 0.254 0.000 1.371 180 C CB 1.073 28.887 27.740 0.125 0.000 1.714 180 C HN 1.985 nan 8.230 nan 0.000 0.473 181 T N 0.402 115.113 114.554 0.261 0.000 2.913 181 T HA 0.777 4.974 4.350 -0.255 0.000 0.287 181 T C -0.027 174.853 174.700 0.301 0.000 1.008 181 T CA 0.266 62.539 62.100 0.288 0.000 1.067 181 T CB 1.335 70.315 68.868 0.185 0.000 0.996 181 T HN 2.266 nan 8.240 nan 0.000 0.513 182 A N 1.583 124.640 122.820 0.396 0.000 2.587 182 A HA 0.745 4.912 4.320 -0.255 0.000 0.293 182 A C -1.411 176.461 177.584 0.480 0.000 1.087 182 A CA -1.010 51.300 52.037 0.455 0.000 0.692 182 A CB 1.688 21.031 19.000 0.571 0.000 1.291 182 A HN 1.048 nan 8.150 nan 0.000 0.407 183 L N 1.365 122.825 121.223 0.394 0.000 2.333 183 L HA 0.694 4.881 4.340 -0.255 0.000 0.280 183 L C -0.413 176.402 176.870 -0.092 0.000 1.004 183 L CA -0.378 54.560 54.840 0.164 0.000 0.820 183 L CB 1.404 43.524 42.059 0.102 0.000 1.247 183 L HN 0.911 nan 8.230 nan 0.000 0.416 184 C N 6.304 125.276 119.300 -0.547 0.000 2.373 184 C HA 0.352 4.659 4.460 -0.255 0.000 0.354 184 C C 1.758 176.370 174.990 -0.629 0.000 1.249 184 C CA -0.508 57.758 59.018 -1.253 0.000 1.784 184 C CB -1.292 25.487 27.740 -1.602 0.000 2.408 184 C HN 0.977 nan 8.230 nan 0.000 0.542 185 I N 3.373 123.615 120.570 -0.547 0.000 2.315 185 I HA -0.125 3.892 4.170 -0.255 0.000 0.248 185 I C 2.543 178.371 176.117 -0.482 0.000 1.117 185 I CA 1.429 62.416 61.300 -0.523 0.000 1.404 185 I CB -0.402 37.211 38.000 -0.646 0.000 1.071 185 I HN 0.832 nan 8.210 nan 0.000 0.419 186 E N 0.847 120.880 120.200 -0.279 0.000 2.058 186 E HA -0.264 3.933 4.350 -0.255 0.000 0.194 186 E C 2.004 178.585 176.600 -0.031 0.000 0.997 186 E CA 2.315 58.725 56.400 0.018 0.000 0.801 186 E CB 0.093 29.846 29.700 0.087 0.000 0.746 186 E HN 0.558 nan 8.360 nan 0.000 0.450 187 T N -4.499 109.982 114.554 -0.122 0.000 2.990 187 T HA 0.320 4.517 4.350 -0.255 0.000 0.250 187 T C 1.412 176.060 174.700 -0.086 0.000 1.041 187 T CA 0.630 62.688 62.100 -0.070 0.000 1.010 187 T CB 0.891 69.730 68.868 -0.048 0.000 1.003 187 T HN 0.352 nan 8.240 nan 0.000 0.499 188 G N 1.455 110.166 108.800 -0.149 0.000 2.176 188 G HA2 -0.273 3.534 3.960 -0.255 0.000 0.253 188 G HA3 -0.273 3.534 3.960 -0.255 0.000 0.253 188 G C -0.139 174.709 174.900 -0.087 0.000 0.979 188 G CA 0.237 45.267 45.100 -0.117 0.000 0.641 188 G HN 0.845 nan 8.290 nan 0.000 0.530 189 E N 0.388 120.527 120.200 -0.101 0.000 2.414 189 E HA 0.387 4.584 4.350 -0.255 0.000 0.263 189 E C 0.156 176.768 176.600 0.020 0.000 1.000 189 E CA -0.235 56.151 56.400 -0.023 0.000 0.914 189 E CB 0.644 30.355 29.700 0.020 0.000 0.948 189 E HN 0.169 nan 8.360 nan 0.000 0.444 190 V N 5.028 124.992 119.914 0.084 0.000 2.483 190 V HA 0.413 4.381 4.120 -0.255 0.000 0.295 190 V C -0.152 176.050 176.094 0.180 0.000 1.035 190 V CA -0.601 61.786 62.300 0.144 0.000 0.896 190 V CB 1.632 33.519 31.823 0.107 0.000 0.986 190 V HN 0.485 nan 8.190 nan 0.000 0.447 191 V N 3.793 123.853 119.914 0.243 0.000 3.049 191 V HA 0.402 4.369 4.120 -0.255 0.000 0.309 191 V C -1.523 174.658 176.094 0.145 0.000 1.148 191 V CA -0.859 61.519 62.300 0.130 0.000 0.990 191 V CB 2.454 34.290 31.823 0.021 0.000 1.039 191 V HN 0.746 nan 8.190 nan 0.000 0.430 192 Y N 3.604 123.845 120.300 -0.098 0.000 2.385 192 Y HA 0.615 5.012 4.550 -0.255 0.000 0.341 192 Y C -0.940 174.857 175.900 -0.173 0.000 0.965 192 Y CA -1.967 56.103 58.100 -0.050 0.000 1.180 192 Y CB 0.818 39.267 38.460 -0.019 0.000 1.139 192 Y HN 0.469 nan 8.280 nan 0.000 0.502 193 F N 6.489 126.360 119.950 -0.132 0.000 2.404 193 F HA 0.306 4.681 4.527 -0.254 0.000 0.359 193 F C 0.471 175.991 175.800 -0.467 0.000 1.134 193 F CA -0.335 57.489 58.000 -0.294 0.000 1.160 193 F CB 0.633 39.494 39.000 -0.231 0.000 1.186 193 F HN 0.386 nan 8.300 nan 0.000 0.526 194 K N 3.291 123.346 120.400 -0.575 0.000 2.172 194 K HA 0.826 4.994 4.320 -0.255 0.000 0.276 194 K C -1.012 175.528 176.600 -0.100 0.000 1.013 194 K CA -0.383 55.572 56.287 -0.553 0.000 0.913 194 K CB 1.009 33.093 32.500 -0.694 0.000 1.055 194 K HN 0.702 nan 8.250 nan 0.000 0.461 195 A N 3.752 126.576 122.820 0.007 0.000 2.606 195 A HA 0.369 4.536 4.320 -0.255 0.000 0.293 195 A C -0.318 177.308 177.584 0.071 0.000 1.082 195 A CA -0.855 51.218 52.037 0.059 0.000 0.685 195 A CB 1.537 20.581 19.000 0.074 0.000 1.284 195 A HN 0.909 nan 8.150 nan 0.000 0.408 196 R N 0.097 120.634 120.500 0.063 0.000 2.200 196 R HA 0.368 4.555 4.340 -0.255 0.000 0.208 196 R C 0.560 176.928 176.300 0.113 0.000 1.033 196 R CA 1.387 57.533 56.100 0.077 0.000 1.000 196 R CB 0.310 30.643 30.300 0.055 0.000 0.906 196 R HN 0.827 nan 8.270 nan 0.000 0.462 197 A N 0.373 123.233 122.820 0.066 0.000 2.375 197 A HA 0.481 4.649 4.320 -0.255 0.000 0.295 197 A C -0.941 176.663 177.584 0.033 0.000 1.066 197 A CA -0.567 51.505 52.037 0.059 0.000 0.722 197 A CB 1.509 20.324 19.000 -0.308 0.000 1.206 197 A HN -0.008 nan 8.150 nan 0.000 0.435 198 T N 2.285 116.937 114.554 0.164 0.000 2.772 198 T HA 0.487 4.685 4.350 -0.255 0.000 0.288 198 T C -0.484 174.299 174.700 0.138 0.000 0.994 198 T CA -0.230 61.929 62.100 0.098 0.000 0.951 198 T CB 0.939 69.870 68.868 0.105 0.000 0.933 198 T HN 0.455 nan 8.240 nan 0.000 0.447 199 V N 5.686 125.618 119.914 0.030 0.000 2.313 199 V HA 0.335 4.303 4.120 -0.255 0.000 0.278 199 V C 0.221 176.322 176.094 0.012 0.000 1.017 199 V CA -0.834 61.496 62.300 0.051 0.000 0.823 199 V CB 0.805 32.605 31.823 -0.038 0.000 1.010 199 V HN 0.786 nan 8.190 nan 0.000 0.443 200 L N 4.184 125.427 121.223 0.034 0.000 2.410 200 L HA 0.510 4.697 4.340 -0.255 0.000 0.273 200 L C 0.777 177.644 176.870 -0.005 0.000 1.152 200 L CA 0.254 55.091 54.840 -0.005 0.000 0.855 200 L CB 0.984 43.040 42.059 -0.005 0.000 1.129 200 L HN 0.782 nan 8.230 nan 0.000 0.463 201 A N 0.938 123.743 122.820 -0.026 0.000 2.958 201 A HA 0.200 4.367 4.320 -0.255 0.000 0.214 201 A C 0.717 178.285 177.584 -0.026 0.000 0.902 201 A CA -0.062 51.966 52.037 -0.015 0.000 1.136 201 A CB -0.121 18.870 19.000 -0.015 0.000 1.250 201 A HN 0.730 nan 8.150 nan 0.000 0.497 202 T N -3.065 111.468 114.554 -0.035 0.000 3.107 202 T HA 0.470 4.668 4.350 -0.255 0.000 0.249 202 T C 1.254 175.936 174.700 -0.030 0.000 1.096 202 T CA 1.005 63.079 62.100 -0.044 0.000 1.012 202 T CB -0.050 68.782 68.868 -0.061 0.000 0.977 202 T HN 2.125 nan 8.240 nan 0.000 0.527 203 G N 0.164 108.949 108.800 -0.026 0.000 2.632 203 G HA2 0.219 4.026 3.960 -0.255 0.000 0.224 203 G HA3 0.219 4.026 3.960 -0.255 0.000 0.224 203 G C 0.147 175.004 174.900 -0.071 0.000 1.341 203 G CA -0.485 44.599 45.100 -0.027 0.000 0.880 203 G HN 0.857 nan 8.290 nan 0.000 0.566 204 G N -1.970 106.775 108.800 -0.093 0.000 2.630 204 G HA2 0.755 4.562 3.960 -0.255 0.000 0.223 204 G HA3 0.755 4.562 3.960 -0.255 0.000 0.223 204 G C 0.575 175.466 174.900 -0.014 0.000 1.434 204 G CA 1.023 46.049 45.100 -0.123 0.000 1.057 204 G HN 2.253 nan 8.290 nan 0.000 0.570 205 A N -1.524 121.367 122.820 0.118 0.000 2.639 205 A HA 0.520 4.687 4.320 -0.255 0.000 0.221 205 A C 1.466 179.163 177.584 0.187 0.000 0.879 205 A CA 0.933 53.084 52.037 0.190 0.000 1.189 205 A CB -0.071 19.096 19.000 0.278 0.000 1.231 205 A HN 1.293 nan 8.150 nan 0.000 0.457 206 G N 0.231 109.095 108.800 0.107 0.000 2.501 206 G HA2 -0.177 3.630 3.960 -0.255 0.000 0.220 206 G HA3 -0.177 3.630 3.960 -0.255 0.000 0.220 206 G C 1.262 176.131 174.900 -0.052 0.000 1.114 206 G CA 0.521 45.616 45.100 -0.007 0.000 0.757 206 G HN 0.364 nan 8.290 nan 0.000 0.559 207 R N 0.520 120.991 120.500 -0.049 0.000 2.323 207 R HA 0.063 4.251 4.340 -0.255 0.000 0.198 207 R C 2.315 178.573 176.300 -0.070 0.000 0.988 207 R CA 0.298 56.368 56.100 -0.049 0.000 1.041 207 R CB -0.520 29.761 30.300 -0.032 0.000 0.926 207 R HN 0.762 nan 8.270 nan 0.000 0.476 208 I N -3.218 117.271 120.570 -0.136 0.000 3.001 208 I HA -0.044 3.974 4.170 -0.255 0.000 0.268 208 I C 0.063 175.934 176.117 -0.409 0.000 1.267 208 I CA 0.563 61.700 61.300 -0.271 0.000 1.472 208 I CB -0.184 37.593 38.000 -0.373 0.000 1.089 208 I HN -0.203 nan 8.210 nan 0.000 0.468 209 Y N 0.881 121.051 120.300 -0.217 0.000 2.488 209 Y HA 0.292 4.692 4.550 -0.251 0.000 0.325 209 Y C 1.547 177.410 175.900 -0.062 0.000 1.204 209 Y CA -0.390 57.629 58.100 -0.136 0.000 1.229 209 Y CB 0.955 39.317 38.460 -0.163 0.000 1.274 209 Y HN -0.133 nan 8.280 nan 0.000 0.493 210 Q N 0.175 120.069 119.800 0.158 0.000 2.172 210 Q HA -0.019 4.168 4.340 -0.255 0.000 0.200 210 Q C -0.082 175.975 176.000 0.095 0.000 0.964 210 Q CA 0.784 56.650 55.803 0.104 0.000 0.855 210 Q CB 0.314 29.129 28.738 0.128 0.000 0.918 210 Q HN 0.474 nan 8.270 nan 0.000 0.444 211 S N -0.422 115.352 115.700 0.123 0.000 2.605 211 S HA 0.486 4.803 4.470 -0.255 0.000 0.308 211 S C -1.078 173.547 174.600 0.042 0.000 1.113 211 S CA -0.513 57.730 58.200 0.073 0.000 1.049 211 S CB 1.747 64.999 63.200 0.086 0.000 1.001 211 S HN 0.205 nan 8.310 nan 0.000 0.480 212 T N 1.144 115.692 114.554 -0.009 0.000 2.843 212 T HA 0.479 4.676 4.350 -0.255 0.000 0.302 212 T C 1.077 175.756 174.700 -0.035 0.000 1.232 212 T CA 0.091 62.169 62.100 -0.036 0.000 1.009 212 T CB 1.381 70.211 68.868 -0.064 0.000 1.254 212 T HN 0.674 nan 8.240 nan 0.000 0.504 213 T N 0.133 114.697 114.554 0.017 0.000 3.100 213 T HA 0.236 4.434 4.350 -0.255 0.000 0.253 213 T C 0.608 175.338 174.700 0.050 0.000 1.118 213 T CA 0.080 62.219 62.100 0.065 0.000 1.058 213 T CB -0.574 68.437 68.868 0.238 0.000 0.953 213 T HN 0.557 nan 8.240 nan 0.000 0.515 214 N N 1.427 120.067 118.700 -0.100 0.000 2.513 214 N HA 0.518 5.105 4.740 -0.255 0.000 0.274 214 N C 0.135 175.489 175.510 -0.260 0.000 1.189 214 N CA -0.580 52.250 53.050 -0.367 0.000 0.975 214 N CB 0.882 39.140 38.487 -0.381 0.000 1.157 214 N HN 0.406 nan 8.380 nan 0.000 0.465 215 A N 1.138 123.807 122.820 -0.251 0.000 2.536 215 A HA -0.087 4.080 4.320 -0.255 0.000 0.234 215 A C 1.071 178.589 177.584 -0.110 0.000 1.076 215 A CA 0.101 52.110 52.037 -0.047 0.000 0.769 215 A CB 0.041 19.123 19.000 0.136 0.000 1.020 215 A HN 0.801 nan 8.150 nan 0.000 0.508 216 H N 1.127 120.206 119.070 0.015 0.000 2.457 216 H HA -0.161 4.243 4.556 -0.253 0.000 0.297 216 H C 1.709 177.044 175.328 0.011 0.000 1.092 216 H CA 2.209 58.263 56.048 0.011 0.000 1.309 216 H CB -0.116 29.660 29.762 0.025 0.000 1.382 216 H HN 0.757 nan 8.280 nan 0.000 0.535 217 I N -1.358 119.285 120.570 0.121 0.000 3.564 217 I HA 0.030 4.047 4.170 -0.255 0.000 0.294 217 I C -0.175 175.969 176.117 0.045 0.000 1.289 217 I CA 0.200 61.556 61.300 0.093 0.000 1.325 217 I CB -0.149 37.912 38.000 0.102 0.000 1.039 217 I HN -0.177 nan 8.210 nan 0.000 0.474 218 N N 2.530 121.225 118.700 -0.010 0.000 2.739 218 N HA 0.101 4.688 4.740 -0.255 0.000 0.266 218 N C 0.755 176.263 175.510 -0.004 0.000 1.168 218 N CA 0.390 53.414 53.050 -0.043 0.000 1.055 218 N CB 0.391 38.788 38.487 -0.151 0.000 1.393 218 N HN 0.422 nan 8.380 nan 0.000 0.514 219 T N -3.024 111.546 114.554 0.026 0.000 3.084 219 T HA 0.278 4.475 4.350 -0.255 0.000 0.270 219 T C 1.131 175.860 174.700 0.049 0.000 1.008 219 T CA -0.080 62.045 62.100 0.042 0.000 0.900 219 T CB 0.127 69.034 68.868 0.065 0.000 1.084 219 T HN 0.338 nan 8.240 nan 0.000 0.538 220 G N 2.106 110.930 108.800 0.040 0.000 2.221 220 G HA2 -0.258 3.549 3.960 -0.255 0.000 0.265 220 G HA3 -0.258 3.549 3.960 -0.255 0.000 0.265 220 G C 0.408 175.325 174.900 0.027 0.000 1.041 220 G CA 0.264 45.387 45.100 0.038 0.000 0.807 220 G HN 0.481 nan 8.290 nan 0.000 0.502 221 D N 0.206 120.616 120.400 0.016 0.000 2.123 221 D HA -0.085 4.402 4.640 -0.255 0.000 0.196 221 D C 2.469 178.758 176.300 -0.017 0.000 0.992 221 D CA 1.827 55.828 54.000 0.002 0.000 0.833 221 D CB -0.693 40.066 40.800 -0.068 0.000 0.954 221 D HN 0.593 nan 8.370 nan 0.000 0.455 222 G N 0.317 109.099 108.800 -0.031 0.000 2.443 222 G HA2 -0.145 3.662 3.960 -0.255 0.000 0.219 222 G HA3 -0.145 3.662 3.960 -0.255 0.000 0.219 222 G C 1.812 176.706 174.900 -0.010 0.000 1.131 222 G CA 0.524 45.607 45.100 -0.028 0.000 0.775 222 G HN 0.237 nan 8.290 nan 0.000 0.547 223 V N 1.391 121.303 119.914 -0.002 0.000 2.323 223 V HA -0.016 3.951 4.120 -0.255 0.000 0.244 223 V C 3.129 179.244 176.094 0.034 0.000 1.041 223 V CA 1.946 64.252 62.300 0.010 0.000 1.025 223 V CB -0.994 30.836 31.823 0.011 0.000 0.656 223 V HN 0.400 nan 8.190 nan 0.000 0.451 224 G N -0.710 108.115 108.800 0.042 0.000 2.418 224 G HA2 -0.280 3.527 3.960 -0.255 0.000 0.217 224 G HA3 -0.280 3.527 3.960 -0.255 0.000 0.217 224 G C 1.658 176.590 174.900 0.054 0.000 1.158 224 G CA 1.146 46.282 45.100 0.059 0.000 0.771 224 G HN 0.396 nan 8.290 nan 0.000 0.545 225 M N 0.674 120.297 119.600 0.038 0.000 2.086 225 M HA -0.025 4.302 4.480 -0.255 0.000 0.261 225 M C 3.064 179.380 176.300 0.028 0.000 1.067 225 M CA 1.462 56.780 55.300 0.031 0.000 1.116 225 M CB -0.223 32.383 32.600 0.009 0.000 1.348 225 M HN 0.331 nan 8.290 nan 0.000 0.407 226 A N 0.545 123.378 122.820 0.022 0.000 1.877 226 A HA -0.164 4.003 4.320 -0.255 0.000 0.216 226 A C 2.049 179.653 177.584 0.032 0.000 1.186 226 A CA 1.582 53.629 52.037 0.018 0.000 0.620 226 A CB -0.943 18.062 19.000 0.009 0.000 0.822 226 A HN 0.454 nan 8.150 nan 0.000 0.443 227 I N -1.005 119.601 120.570 0.059 0.000 2.179 227 I HA -0.271 3.746 4.170 -0.255 0.000 0.242 227 I C 2.732 178.885 176.117 0.060 0.000 1.088 227 I CA 1.490 62.844 61.300 0.090 0.000 1.357 227 I CB -0.312 37.779 38.000 0.153 0.000 1.051 227 I HN 0.280 nan 8.210 nan 0.000 0.409 228 R N 0.485 121.016 120.500 0.052 0.000 2.193 228 R HA -0.059 4.128 4.340 -0.255 0.000 0.229 228 R C 1.915 178.227 176.300 0.021 0.000 1.110 228 R CA 1.090 57.211 56.100 0.036 0.000 0.988 228 R CB -0.217 30.108 30.300 0.042 0.000 0.871 228 R HN 0.341 nan 8.270 nan 0.000 0.458 229 A N -0.159 122.672 122.820 0.018 0.000 2.278 229 A HA 0.249 4.416 4.320 -0.255 0.000 0.212 229 A C 1.303 178.884 177.584 -0.005 0.000 1.213 229 A CA 0.618 52.659 52.037 0.007 0.000 0.840 229 A CB 0.048 19.053 19.000 0.009 0.000 0.866 229 A HN 0.400 nan 8.150 nan 0.000 0.489 230 G N -1.385 107.411 108.800 -0.007 0.000 2.159 230 G HA2 -0.209 3.598 3.960 -0.255 0.000 0.256 230 G HA3 -0.209 3.598 3.960 -0.255 0.000 0.256 230 G C 0.155 175.037 174.900 -0.030 0.000 0.977 230 G CA 0.197 45.282 45.100 -0.024 0.000 0.652 230 G HN 0.802 nan 8.290 nan 0.000 0.531 231 V N 2.875 122.779 119.914 -0.017 0.000 2.461 231 V HA 0.452 4.419 4.120 -0.255 0.000 0.275 231 V C -0.995 175.092 176.094 -0.011 0.000 1.047 231 V CA -1.327 60.959 62.300 -0.023 0.000 0.955 231 V CB 1.404 33.213 31.823 -0.023 0.000 0.988 231 V HN 0.224 nan 8.190 nan 0.000 0.471 232 P HA 0.336 nan 4.420 nan 0.000 0.274 232 P C -0.783 176.532 177.300 0.024 0.000 1.246 232 P CA -0.083 63.014 63.100 -0.005 0.000 0.795 232 P CB 1.297 32.975 31.700 -0.037 0.000 1.006 233 V N -2.327 117.634 119.914 0.080 0.000 3.001 233 V HA 0.663 4.630 4.120 -0.255 0.000 0.314 233 V C -0.666 175.449 176.094 0.036 0.000 1.099 233 V CA -0.992 61.331 62.300 0.038 0.000 0.989 233 V CB 1.649 33.495 31.823 0.039 0.000 1.040 233 V HN 0.599 nan 8.190 nan 0.000 0.434 234 Q N 0.203 119.993 119.800 -0.018 0.000 2.394 234 Q HA 0.424 4.611 4.340 -0.255 0.000 0.273 234 Q C -0.797 175.195 176.000 -0.014 0.000 1.089 234 Q CA -0.353 55.443 55.803 -0.012 0.000 0.812 234 Q CB 1.796 30.482 28.738 -0.086 0.000 1.353 234 Q HN 0.956 nan 8.270 nan 0.000 0.438 235 D N 2.726 123.154 120.400 0.046 0.000 2.811 235 D HA -0.206 4.282 4.640 -0.255 0.000 0.231 235 D C 0.696 176.965 176.300 -0.052 0.000 1.157 235 D CA 0.777 54.799 54.000 0.036 0.000 0.716 235 D CB -0.252 40.595 40.800 0.078 0.000 1.077 235 D HN 0.658 nan 8.370 nan 0.000 0.428 236 M N -0.230 119.336 119.600 -0.057 0.000 2.446 236 M HA -0.134 4.193 4.480 -0.255 0.000 0.263 236 M C 2.085 178.376 176.300 -0.015 0.000 1.066 236 M CA 1.220 56.462 55.300 -0.097 0.000 1.087 236 M CB -0.486 32.071 32.600 -0.072 0.000 1.406 236 M HN 0.274 nan 8.290 nan 0.000 0.459 237 E N -0.377 119.830 120.200 0.012 0.000 2.418 237 E HA -0.097 4.101 4.350 -0.255 0.000 0.197 237 E C 0.281 176.995 176.600 0.191 0.000 1.026 237 E CA 0.473 56.938 56.400 0.110 0.000 0.862 237 E CB -0.207 29.426 29.700 -0.112 0.000 0.799 237 E HN 0.306 nan 8.360 nan 0.000 0.518 238 M N 1.345 120.958 119.600 0.022 0.000 2.725 238 M HA 0.203 4.530 4.480 -0.255 0.000 0.322 238 M C -1.300 174.943 176.300 -0.095 0.000 1.393 238 M CA -0.041 55.281 55.300 0.035 0.000 1.452 238 M CB -1.147 31.456 32.600 0.005 0.000 1.242 238 M HN 0.063 nan 8.290 nan 0.000 0.487 239 W N 1.896 123.262 121.300 0.111 0.000 2.376 239 W HA 0.401 4.907 4.660 -0.258 0.000 0.312 239 W C 0.521 177.032 176.519 -0.013 0.000 1.060 239 W CA -0.463 56.879 57.345 -0.005 0.000 1.221 239 W CB 0.989 30.407 29.460 -0.069 0.000 1.281 239 W HN 0.464 nan 8.180 nan 0.000 0.456 240 Q N 3.424 123.334 119.800 0.182 0.000 2.295 240 Q HA 0.268 4.456 4.340 -0.255 0.000 0.259 240 Q C -1.206 174.810 176.000 0.026 0.000 0.976 240 Q CA -0.190 55.723 55.803 0.183 0.000 0.923 240 Q CB 0.454 29.331 28.738 0.231 0.000 1.185 240 Q HN 0.402 nan 8.270 nan 0.000 0.410 241 F N 3.721 123.736 119.950 0.109 0.000 2.371 241 F HA 0.170 4.550 4.527 -0.245 0.000 0.363 241 F C 0.648 176.481 175.800 0.055 0.000 1.122 241 F CA -0.745 57.290 58.000 0.059 0.000 1.129 241 F CB 0.634 39.606 39.000 -0.045 0.000 1.173 241 F HN 0.567 nan 8.300 nan 0.000 0.489 242 H N 5.968 125.090 119.070 0.087 0.000 2.964 242 H HA 0.046 4.449 4.556 -0.256 0.000 0.328 242 H C -1.739 173.573 175.328 -0.027 0.000 1.030 242 H CA -1.454 54.549 56.048 -0.075 0.000 1.445 242 H CB 1.581 31.122 29.762 -0.368 0.000 1.449 242 H HN 0.341 nan 8.280 nan 0.000 0.581 243 P HA -0.082 nan 4.420 nan 0.000 0.220 243 P C 0.415 177.795 177.300 0.133 0.000 1.148 243 P CA 1.456 64.573 63.100 0.029 0.000 0.803 243 P CB 0.218 31.867 31.700 -0.086 0.000 0.782 244 T N -3.396 111.343 114.554 0.308 0.000 3.514 244 T HA 0.580 4.777 4.350 -0.255 0.000 0.259 244 T C 0.478 175.177 174.700 -0.001 0.000 1.466 244 T CA -0.841 61.336 62.100 0.128 0.000 1.562 244 T CB -0.190 68.728 68.868 0.082 0.000 0.924 244 T HN -0.024 nan 8.240 nan 0.000 0.678 245 G N 1.485 110.286 108.800 0.002 0.000 2.503 245 G HA2 0.553 4.360 3.960 -0.255 0.000 0.257 245 G HA3 0.553 4.360 3.960 -0.255 0.000 0.257 245 G C 0.067 174.949 174.900 -0.030 0.000 1.214 245 G CA -0.984 44.089 45.100 -0.046 0.000 0.839 245 G HN 0.759 nan 8.290 nan 0.000 0.559 246 I N 1.541 122.084 120.570 -0.045 0.000 2.668 246 I HA 0.117 4.134 4.170 -0.255 0.000 0.285 246 I C 1.297 177.409 176.117 -0.008 0.000 1.168 246 I CA -0.058 61.219 61.300 -0.039 0.000 1.424 246 I CB 0.770 38.766 38.000 -0.007 0.000 1.377 246 I HN 0.514 nan 8.210 nan 0.000 0.560 247 A N 5.270 128.073 122.820 -0.029 0.000 2.524 247 A HA 0.426 4.593 4.320 -0.255 0.000 0.250 247 A C 1.296 178.952 177.584 0.120 0.000 1.078 247 A CA 0.525 52.589 52.037 0.045 0.000 0.761 247 A CB -0.231 18.786 19.000 0.028 0.000 1.012 247 A HN 1.220 nan 8.150 nan 0.000 0.500 248 G N 0.818 109.691 108.800 0.122 0.000 2.225 248 G HA2 0.015 3.823 3.960 -0.255 0.000 0.254 248 G HA3 0.015 3.823 3.960 -0.255 0.000 0.254 248 G C 0.832 175.791 174.900 0.099 0.000 0.988 248 G CA 1.072 46.249 45.100 0.129 0.000 0.625 248 G HN 2.071 nan 8.290 nan 0.000 0.527 249 A N -1.579 121.282 122.820 0.070 0.000 2.140 249 A HA 0.660 4.827 4.320 -0.255 0.000 0.199 249 A C 2.614 180.163 177.584 -0.059 0.000 1.416 249 A CA 1.898 53.945 52.037 0.016 0.000 1.018 249 A CB -0.092 18.929 19.000 0.035 0.000 1.117 249 A HN 2.307 nan 8.150 nan 0.000 0.480 250 G N -0.826 107.951 108.800 -0.038 0.000 2.284 250 G HA2 -0.225 3.582 3.960 -0.255 0.000 0.247 250 G HA3 -0.225 3.582 3.960 -0.255 0.000 0.247 250 G C 0.403 175.248 174.900 -0.092 0.000 1.012 250 G CA 0.197 45.268 45.100 -0.049 0.000 0.618 250 G HN 0.997 nan 8.290 nan 0.000 0.521 251 V N 2.355 122.168 119.914 -0.168 0.000 2.599 251 V HA 0.385 4.352 4.120 -0.255 0.000 0.300 251 V C 1.105 177.127 176.094 -0.119 0.000 1.034 251 V CA 0.241 62.421 62.300 -0.200 0.000 1.115 251 V CB 1.304 32.888 31.823 -0.397 0.000 0.934 251 V HN 0.603 nan 8.190 nan 0.000 0.485 252 L N 7.699 128.858 121.223 -0.106 0.000 2.416 252 L HA 0.405 4.592 4.340 -0.255 0.000 0.272 252 L C -0.029 176.762 176.870 -0.131 0.000 1.161 252 L CA 0.450 55.189 54.840 -0.168 0.000 0.845 252 L CB 1.146 43.095 42.059 -0.184 0.000 1.119 252 L HN 0.566 nan 8.230 nan 0.000 0.464 253 V N 1.945 121.765 119.914 -0.156 0.000 2.417 253 V HA 0.472 4.439 4.120 -0.255 0.000 0.291 253 V C 0.343 176.371 176.094 -0.110 0.000 1.024 253 V CA -0.484 61.760 62.300 -0.093 0.000 0.861 253 V CB 0.881 32.672 31.823 -0.053 0.000 0.985 253 V HN 0.905 nan 8.190 nan 0.000 0.436 254 T N 1.840 116.368 114.554 -0.043 0.000 2.906 254 T HA 0.019 4.216 4.350 -0.255 0.000 0.320 254 T C 1.022 175.727 174.700 0.009 0.000 1.088 254 T CA 0.991 63.103 62.100 0.020 0.000 1.120 254 T CB 0.661 69.602 68.868 0.122 0.000 1.000 254 T HN 1.103 nan 8.240 nan 0.000 0.550 255 E N 2.087 122.270 120.200 -0.029 0.000 2.409 255 E HA -0.024 4.173 4.350 -0.255 0.000 0.198 255 E C 2.011 178.331 176.600 -0.467 0.000 1.024 255 E CA 0.927 57.111 56.400 -0.360 0.000 0.861 255 E CB -0.723 28.498 29.700 -0.799 0.000 0.788 255 E HN 0.918 nan 8.360 nan 0.000 0.521 256 G N 0.225 108.952 108.800 -0.122 0.000 2.479 256 G HA2 -0.285 3.522 3.960 -0.255 0.000 0.220 256 G HA3 -0.285 3.522 3.960 -0.255 0.000 0.220 256 G C 1.522 176.449 174.900 0.045 0.000 1.115 256 G CA 0.820 46.007 45.100 0.144 0.000 0.757 256 G HN 0.388 nan 8.290 nan 0.000 0.560 257 C N -0.070 119.225 119.300 -0.009 0.000 2.429 257 C HA 0.023 4.331 4.460 -0.255 0.000 0.277 257 C C 2.976 177.948 174.990 -0.031 0.000 1.262 257 C CA 0.828 59.833 59.018 -0.021 0.000 1.733 257 C CB -0.744 26.974 27.740 -0.037 0.000 2.010 257 C HN 0.461 nan 8.230 nan 0.000 0.483 258 R N 0.610 121.069 120.500 -0.068 0.000 2.093 258 R HA 0.041 4.229 4.340 -0.255 0.000 0.224 258 R C 2.453 178.735 176.300 -0.030 0.000 1.101 258 R CA 1.282 57.352 56.100 -0.050 0.000 0.979 258 R CB -0.701 29.540 30.300 -0.100 0.000 0.877 258 R HN 0.589 nan 8.270 nan 0.000 0.441 259 G N 1.014 109.777 108.800 -0.061 0.000 2.442 259 G HA2 -0.237 3.570 3.960 -0.255 0.000 0.219 259 G HA3 -0.237 3.570 3.960 -0.255 0.000 0.219 259 G C 1.100 176.045 174.900 0.075 0.000 1.141 259 G CA 0.585 45.700 45.100 0.025 0.000 0.763 259 G HN 0.220 nan 8.290 nan 0.000 0.554 260 E N 0.140 120.384 120.200 0.074 0.000 2.502 260 E HA 0.163 4.360 4.350 -0.255 0.000 0.194 260 E C 1.758 178.396 176.600 0.062 0.000 1.062 260 E CA 0.656 57.105 56.400 0.082 0.000 0.867 260 E CB 0.296 30.039 29.700 0.072 0.000 0.888 260 E HN 0.509 nan 8.360 nan 0.000 0.510 261 G N 0.606 109.453 108.800 0.079 0.000 2.227 261 G HA2 -0.162 3.646 3.960 -0.255 0.000 0.168 261 G HA3 -0.162 3.646 3.960 -0.255 0.000 0.168 261 G C 0.615 175.675 174.900 0.266 0.000 1.006 261 G CA -0.285 44.910 45.100 0.157 0.000 0.684 261 G HN 0.450 nan 8.290 nan 0.000 0.489 262 G N -0.175 108.694 108.800 0.115 0.000 2.572 262 G HA2 0.731 4.538 3.960 -0.255 0.000 0.261 262 G HA3 0.731 4.538 3.960 -0.255 0.000 0.261 262 G C -0.310 174.672 174.900 0.136 0.000 1.197 262 G CA 0.182 45.327 45.100 0.075 0.000 0.870 262 G HN 1.433 nan 8.290 nan 0.000 0.548 263 Y N -2.240 118.083 120.300 0.038 0.000 2.670 263 Y HA 0.663 5.055 4.550 -0.264 0.000 0.334 263 Y C -1.023 174.814 175.900 -0.105 0.000 1.185 263 Y CA -1.689 56.372 58.100 -0.065 0.000 1.053 263 Y CB 1.014 39.419 38.460 -0.091 0.000 1.298 263 Y HN 0.433 nan 8.280 nan 0.000 0.459 264 L N 2.884 124.102 121.223 -0.008 0.000 2.307 264 L HA 0.608 4.795 4.340 -0.255 0.000 0.282 264 L C -0.626 176.158 176.870 -0.142 0.000 1.051 264 L CA -0.602 54.151 54.840 -0.146 0.000 0.804 264 L CB 1.281 43.154 42.059 -0.310 0.000 1.197 264 L HN 0.550 nan 8.230 nan 0.000 0.431 265 L N 2.559 123.814 121.223 0.054 0.000 2.354 265 L HA 0.505 4.692 4.340 -0.255 0.000 0.269 265 L C -0.374 176.711 176.870 0.358 0.000 1.005 265 L CA -0.897 54.053 54.840 0.182 0.000 0.819 265 L CB 2.052 44.192 42.059 0.135 0.000 1.311 265 L HN 0.688 nan 8.230 nan 0.000 0.423 266 N N 1.124 120.073 118.700 0.415 0.000 2.566 266 N HA 0.161 4.748 4.740 -0.255 0.000 0.299 266 N C 0.433 175.976 175.510 0.055 0.000 1.277 266 N CA -0.829 52.352 53.050 0.217 0.000 0.965 266 N CB 0.316 38.888 38.487 0.141 0.000 1.142 266 N HN 0.568 nan 8.380 nan 0.000 0.596 267 K N -1.134 119.203 120.400 -0.106 0.000 2.360 267 K HA -0.142 4.025 4.320 -0.255 0.000 0.201 267 K C 0.145 176.618 176.600 -0.212 0.000 1.046 267 K CA 1.334 57.504 56.287 -0.195 0.000 0.945 267 K CB -0.525 31.792 32.500 -0.304 0.000 0.750 267 K HN 0.620 nan 8.250 nan 0.000 0.464 268 H N -0.304 118.801 119.070 0.059 0.000 2.529 268 H HA 0.204 4.600 4.556 -0.267 0.000 0.277 268 H C 0.793 176.163 175.328 0.069 0.000 1.004 268 H CA 0.143 56.224 56.048 0.056 0.000 1.167 268 H CB 0.942 30.733 29.762 0.049 0.000 1.445 268 H HN 0.525 nan 8.280 nan 0.000 0.554 269 G N 1.325 110.220 108.800 0.158 0.000 2.168 269 G HA2 -0.359 3.448 3.960 -0.255 0.000 0.257 269 G HA3 -0.359 3.448 3.960 -0.255 0.000 0.257 269 G C 0.118 175.112 174.900 0.157 0.000 0.997 269 G CA 0.401 45.587 45.100 0.143 0.000 0.708 269 G HN 0.563 nan 8.290 nan 0.000 0.520 270 E N 0.033 120.353 120.200 0.201 0.000 2.316 270 E HA 0.303 4.501 4.350 -0.255 0.000 0.275 270 E C 0.749 177.463 176.600 0.190 0.000 1.029 270 E CA -0.813 55.698 56.400 0.184 0.000 0.871 270 E CB 0.317 30.145 29.700 0.214 0.000 1.022 270 E HN 0.325 nan 8.360 nan 0.000 0.418 271 R N 5.500 126.042 120.500 0.069 0.000 3.268 271 R HA 0.041 4.228 4.340 -0.255 0.000 0.217 271 R C 0.631 176.891 176.300 -0.067 0.000 1.568 271 R CA -0.151 55.916 56.100 -0.055 0.000 1.322 271 R CB -0.518 29.669 30.300 -0.187 0.000 1.280 271 R HN 0.547 nan 8.270 nan 0.000 0.667 272 F N 1.020 121.043 119.950 0.122 0.000 2.333 272 F HA -0.109 4.512 4.527 0.157 0.000 0.300 272 F C 1.286 177.230 175.800 0.241 0.000 1.083 272 F CA 0.336 58.440 58.000 0.174 0.000 1.395 272 F CB -0.256 38.902 39.000 0.264 0.000 1.056 272 F HN 0.251 nan 8.300 nan 0.000 0.529 273 M N 1.063 120.620 119.600 -0.071 0.000 2.460 273 M HA -0.099 4.228 4.480 -0.255 0.000 0.263 273 M C 1.859 178.219 176.300 0.100 0.000 1.071 273 M CA 0.951 56.308 55.300 0.096 0.000 1.096 273 M CB -1.213 31.328 32.600 -0.099 0.000 1.408 273 M HN 0.411 nan 8.290 nan 0.000 0.463 274 E N -0.408 119.808 120.200 0.027 0.000 2.153 274 E HA -0.201 3.996 4.350 -0.255 0.000 0.194 274 E C 2.172 178.795 176.600 0.038 0.000 0.988 274 E CA 0.870 57.276 56.400 0.010 0.000 0.811 274 E CB -0.082 29.597 29.700 -0.035 0.000 0.746 274 E HN 0.463 nan 8.360 nan 0.000 0.466 275 R N -0.182 120.350 120.500 0.053 0.000 2.062 275 R HA -0.099 4.088 4.340 -0.255 0.000 0.229 275 R C 1.792 178.071 176.300 -0.036 0.000 1.128 275 R CA 1.143 57.218 56.100 -0.042 0.000 0.960 275 R CB -0.001 30.212 30.300 -0.145 0.000 0.855 275 R HN 0.185 nan 8.270 nan 0.000 0.432 276 Y N -1.096 119.277 120.300 0.122 0.000 2.475 276 Y HA 0.207 4.541 4.550 -0.360 0.000 0.289 276 Y C 0.529 176.495 175.900 0.111 0.000 1.121 276 Y CA 0.589 58.764 58.100 0.125 0.000 1.257 276 Y CB 0.603 39.164 38.460 0.168 0.000 1.026 276 Y HN 0.081 nan 8.280 nan 0.000 0.555 277 A N -0.625 122.338 122.820 0.238 0.000 3.156 277 A HA 0.419 4.586 4.320 -0.255 0.000 0.311 277 A C -2.269 175.386 177.584 0.118 0.000 1.129 277 A CA -1.051 51.098 52.037 0.187 0.000 0.809 277 A CB 0.315 19.430 19.000 0.191 0.000 1.257 277 A HN -0.043 nan 8.150 nan 0.000 0.491 278 P HA -0.144 nan 4.420 nan 0.000 0.218 278 P C 1.196 178.520 177.300 0.040 0.000 1.148 278 P CA 1.313 64.441 63.100 0.046 0.000 0.822 278 P CB 0.348 32.067 31.700 0.032 0.000 0.784 279 N N -0.543 118.194 118.700 0.061 0.000 2.124 279 N HA -0.029 4.559 4.740 -0.255 0.000 0.188 279 N C 1.680 177.224 175.510 0.056 0.000 1.045 279 N CA 1.611 54.693 53.050 0.052 0.000 0.846 279 N CB -0.982 37.542 38.487 0.061 0.000 1.020 279 N HN 0.030 nan 8.380 nan 0.000 0.432 280 A N 0.584 123.463 122.820 0.099 0.000 2.132 280 A HA 0.074 4.241 4.320 -0.255 0.000 0.213 280 A C 0.876 178.471 177.584 0.019 0.000 1.154 280 A CA 0.349 52.429 52.037 0.072 0.000 0.753 280 A CB -0.023 19.051 19.000 0.124 0.000 0.826 280 A HN 0.303 nan 8.150 nan 0.000 0.469 281 K N -1.168 119.249 120.400 0.029 0.000 1.779 281 K HA -0.295 3.873 4.320 -0.255 0.000 0.128 281 K C 0.371 176.949 176.600 -0.038 0.000 1.288 281 K CA 1.903 58.188 56.287 -0.003 0.000 0.398 281 K CB -1.369 31.110 32.500 -0.034 0.000 0.609 281 K HN 0.363 nan 8.250 nan 0.000 0.874 282 D N 0.958 121.320 120.400 -0.063 0.000 2.384 282 D HA -0.018 4.469 4.640 -0.255 0.000 0.222 282 D C 0.937 177.169 176.300 -0.113 0.000 0.976 282 D CA 0.877 54.825 54.000 -0.086 0.000 0.915 282 D CB -0.036 40.732 40.800 -0.054 0.000 0.896 282 D HN 0.198 nan 8.370 nan 0.000 0.523 283 L N 0.079 121.240 121.223 -0.104 0.000 2.965 283 L HA 0.394 4.581 4.340 -0.255 0.000 0.254 283 L C 0.844 177.598 176.870 -0.194 0.000 1.220 283 L CA -0.636 54.122 54.840 -0.136 0.000 1.023 283 L CB 0.077 42.090 42.059 -0.077 0.000 1.355 283 L HN -0.021 nan 8.230 nan 0.000 0.545 284 A N 0.140 122.814 122.820 -0.244 0.000 2.325 284 A HA 0.484 4.651 4.320 -0.255 0.000 0.260 284 A C 0.954 178.094 177.584 -0.740 0.000 1.133 284 A CA 0.328 52.045 52.037 -0.533 0.000 0.801 284 A CB -0.133 18.688 19.000 -0.299 0.000 1.092 284 A HN 0.287 nan 8.150 nan 0.000 0.504 285 G N -1.200 106.779 108.800 -1.368 0.000 2.484 285 G HA2 0.270 4.077 3.960 -0.255 0.000 0.235 285 G HA3 0.270 4.077 3.960 -0.255 0.000 0.235 285 G C 0.733 175.436 174.900 -0.328 0.000 1.282 285 G CA -0.137 44.564 45.100 -0.665 0.000 0.857 285 G HN 0.775 nan 8.290 nan 0.000 0.571 286 R N 0.428 120.796 120.500 -0.220 0.000 2.096 286 R HA -0.109 4.078 4.340 -0.255 0.000 0.235 286 R C 2.362 178.597 176.300 -0.108 0.000 1.127 286 R CA 1.668 57.654 56.100 -0.189 0.000 0.968 286 R CB -0.101 30.079 30.300 -0.200 0.000 0.861 286 R HN 0.815 nan 8.270 nan 0.000 0.440 287 D N 0.522 120.892 120.400 -0.050 0.000 2.104 287 D HA -0.147 4.341 4.640 -0.255 0.000 0.194 287 D C 1.828 178.097 176.300 -0.052 0.000 0.994 287 D CA 1.276 55.265 54.000 -0.019 0.000 0.830 287 D CB -0.577 40.241 40.800 0.029 0.000 0.959 287 D HN 0.098 nan 8.370 nan 0.000 0.452 288 V N 1.081 120.978 119.914 -0.027 0.000 2.295 288 V HA -0.225 3.742 4.120 -0.255 0.000 0.246 288 V C 3.022 179.078 176.094 -0.062 0.000 1.049 288 V CA 1.456 63.753 62.300 -0.005 0.000 1.024 288 V CB -0.528 31.347 31.823 0.086 0.000 0.648 288 V HN 0.108 nan 8.190 nan 0.000 0.447 289 V N 0.477 120.335 119.914 -0.093 0.000 2.295 289 V HA -0.269 3.698 4.120 -0.255 0.000 0.246 289 V C 2.735 178.785 176.094 -0.073 0.000 1.049 289 V CA 2.093 64.345 62.300 -0.080 0.000 1.024 289 V CB -1.273 30.484 31.823 -0.111 0.000 0.648 289 V HN 0.556 nan 8.190 nan 0.000 0.447 290 A N -0.214 122.551 122.820 -0.092 0.000 1.902 290 A HA -0.221 3.946 4.320 -0.255 0.000 0.217 290 A C 2.406 179.896 177.584 -0.157 0.000 1.181 290 A CA 1.809 53.791 52.037 -0.092 0.000 0.623 290 A CB -0.512 18.447 19.000 -0.067 0.000 0.818 290 A HN 0.482 nan 8.150 nan 0.000 0.443 291 R N -0.221 120.156 120.500 -0.205 0.000 2.096 291 R HA -0.079 4.108 4.340 -0.255 0.000 0.235 291 R C 2.477 178.703 176.300 -0.124 0.000 1.127 291 R CA 1.561 57.523 56.100 -0.230 0.000 0.968 291 R CB -0.309 29.876 30.300 -0.191 0.000 0.861 291 R HN 0.553 nan 8.270 nan 0.000 0.440 292 S N 0.934 116.477 115.700 -0.260 0.000 2.383 292 S HA -0.073 4.244 4.470 -0.255 0.000 0.227 292 S C 1.971 176.303 174.600 -0.446 0.000 1.026 292 S CA 0.937 58.752 58.200 -0.642 0.000 0.981 292 S CB -0.139 62.592 63.200 -0.781 0.000 0.818 292 S HN 0.217 nan 8.310 nan 0.000 0.472 293 I N 1.482 121.949 120.570 -0.171 0.000 2.179 293 I HA -0.195 3.822 4.170 -0.255 0.000 0.242 293 I C 2.292 178.317 176.117 -0.153 0.000 1.088 293 I CA 1.025 62.237 61.300 -0.146 0.000 1.357 293 I CB -0.320 37.703 38.000 0.038 0.000 1.051 293 I HN 0.272 nan 8.210 nan 0.000 0.409 294 M N -0.058 119.503 119.600 -0.064 0.000 2.229 294 M HA -0.120 4.207 4.480 -0.255 0.000 0.264 294 M C 2.370 178.708 176.300 0.065 0.000 1.063 294 M CA 1.699 57.018 55.300 0.032 0.000 1.114 294 M CB -0.934 31.733 32.600 0.112 0.000 1.387 294 M HN 0.240 nan 8.290 nan 0.000 0.420 295 I N -0.088 120.510 120.570 0.047 0.000 2.202 295 I HA -0.252 3.765 4.170 -0.255 0.000 0.242 295 I C 2.419 178.510 176.117 -0.043 0.000 1.091 295 I CA 0.927 62.243 61.300 0.027 0.000 1.368 295 I CB -0.407 37.640 38.000 0.079 0.000 1.058 295 I HN 0.236 nan 8.210 nan 0.000 0.410 296 E N 1.069 121.170 120.200 -0.165 0.000 2.049 296 E HA -0.237 3.961 4.350 -0.255 0.000 0.198 296 E C 2.263 178.778 176.600 -0.143 0.000 1.007 296 E CA 1.585 57.853 56.400 -0.219 0.000 0.809 296 E CB -0.458 28.912 29.700 -0.550 0.000 0.749 296 E HN 0.520 nan 8.360 nan 0.000 0.450 297 I N 0.577 121.070 120.570 -0.130 0.000 2.163 297 I HA -0.275 3.742 4.170 -0.255 0.000 0.243 297 I C 2.820 178.906 176.117 -0.053 0.000 1.085 297 I CA 1.156 62.408 61.300 -0.081 0.000 1.347 297 I CB -0.278 37.692 38.000 -0.050 0.000 1.044 297 I HN 0.032 nan 8.210 nan 0.000 0.408 298 R N 0.949 121.427 120.500 -0.037 0.000 2.127 298 R HA -0.170 4.017 4.340 -0.255 0.000 0.238 298 R C 1.206 177.477 176.300 -0.048 0.000 1.134 298 R CA 1.376 57.453 56.100 -0.038 0.000 0.975 298 R CB -0.002 30.274 30.300 -0.040 0.000 0.865 298 R HN 0.439 nan 8.270 nan 0.000 0.447 299 E N -1.237 118.937 120.200 -0.044 0.000 2.437 299 E HA 0.116 4.313 4.350 -0.255 0.000 0.195 299 E C 0.280 176.865 176.600 -0.025 0.000 1.029 299 E CA 0.297 56.676 56.400 -0.034 0.000 0.948 299 E CB 0.914 30.602 29.700 -0.020 0.000 1.082 299 E HN 0.573 nan 8.360 nan 0.000 0.456 300 G N 2.167 110.945 108.800 -0.035 0.000 2.148 300 G HA2 -0.346 3.461 3.960 -0.255 0.000 0.254 300 G HA3 -0.346 3.461 3.960 -0.255 0.000 0.254 300 G C 0.824 175.696 174.900 -0.046 0.000 0.981 300 G CA 0.157 45.237 45.100 -0.032 0.000 0.670 300 G HN 0.302 nan 8.290 nan 0.000 0.528 301 R N 0.150 120.612 120.500 -0.063 0.000 2.468 301 R HA 0.336 4.523 4.340 -0.255 0.000 0.280 301 R C 1.497 177.703 176.300 -0.156 0.000 0.963 301 R CA 0.271 56.310 56.100 -0.103 0.000 1.083 301 R CB 0.692 30.982 30.300 -0.016 0.000 1.200 301 R HN 0.354 nan 8.270 nan 0.000 0.541 302 G N 0.286 109.000 108.800 -0.144 0.000 2.537 302 G HA2 0.288 4.095 3.960 -0.255 0.000 0.273 302 G HA3 0.288 4.095 3.960 -0.255 0.000 0.273 302 G C -0.039 174.737 174.900 -0.207 0.000 1.189 302 G CA -0.488 44.510 45.100 -0.169 0.000 0.881 302 G HN 0.133 nan 8.290 nan 0.000 0.535 303 C N -0.179 118.915 119.300 -0.343 0.000 2.347 303 C HA 0.689 4.996 4.460 -0.255 0.000 0.366 303 C C 0.244 175.036 174.990 -0.330 0.000 1.241 303 C CA -0.597 58.191 59.018 -0.383 0.000 2.360 303 C CB 1.391 28.791 27.740 -0.567 0.000 2.290 303 C HN 0.770 nan 8.230 nan 0.000 0.587 304 D N -1.631 118.747 120.400 -0.037 0.000 2.614 304 D HA 0.716 5.203 4.640 -0.255 0.000 0.264 304 D C -0.029 176.499 176.300 0.382 0.000 1.092 304 D CA 0.490 54.599 54.000 0.181 0.000 1.071 304 D CB 2.442 43.296 40.800 0.091 0.000 1.443 304 D HN 0.929 nan 8.370 nan 0.000 0.528 305 G N -0.238 108.737 108.800 0.292 0.000 2.368 305 G HA2 0.095 3.902 3.960 -0.255 0.000 0.269 305 G HA3 0.095 3.902 3.960 -0.255 0.000 0.269 305 G C -2.335 172.497 174.900 -0.112 0.000 1.291 305 G CA -0.381 44.777 45.100 0.096 0.000 0.903 305 G HN 0.326 nan 8.290 nan 0.000 0.483 306 P HA -0.037 nan 4.420 nan 0.000 0.217 306 P C 1.303 178.375 177.300 -0.380 0.000 1.148 306 P CA 1.501 64.291 63.100 -0.516 0.000 0.828 306 P CB 0.023 31.222 31.700 -0.835 0.000 0.783 307 W N -0.196 121.088 121.300 -0.026 0.000 2.678 307 W HA 0.290 4.797 4.660 -0.254 0.000 0.256 307 W C 1.110 177.638 176.519 0.015 0.000 1.280 307 W CA 1.146 58.459 57.345 -0.053 0.000 1.345 307 W CB -1.051 28.289 29.460 -0.200 0.000 1.118 307 W HN 0.044 nan 8.180 nan 0.000 0.629 308 G N 0.144 109.104 108.800 0.266 0.000 2.631 308 G HA2 -0.179 3.629 3.960 -0.255 0.000 0.504 308 G HA3 -0.179 3.629 3.960 -0.255 0.000 0.504 308 G C -3.024 172.088 174.900 0.353 0.000 1.306 308 G CA -1.374 43.862 45.100 0.227 0.000 0.897 308 G HN -0.273 nan 8.290 nan 0.000 0.520 309 P HA 0.342 nan 4.420 nan 0.000 0.268 309 P C -0.120 177.318 177.300 0.230 0.000 1.205 309 P CA 0.641 63.836 63.100 0.158 0.000 0.771 309 P CB 0.553 32.293 31.700 0.067 0.000 0.858 310 H N -0.081 119.023 119.070 0.055 0.000 2.950 310 H HA 0.689 5.098 4.556 -0.244 0.000 0.307 310 H C -1.814 173.531 175.328 0.028 0.000 1.403 310 H CA -1.180 54.890 56.048 0.037 0.000 1.145 310 H CB 0.419 30.198 29.762 0.028 0.000 1.844 310 H HN 0.440 nan 8.280 nan 0.000 0.515 311 A N 1.232 124.131 122.820 0.132 0.000 2.281 311 A HA 0.562 4.729 4.320 -0.255 0.000 0.329 311 A C -0.379 177.325 177.584 0.200 0.000 1.122 311 A CA -0.960 51.156 52.037 0.131 0.000 0.850 311 A CB 1.021 20.167 19.000 0.243 0.000 1.207 311 A HN 0.496 nan 8.150 nan 0.000 0.495 312 K N 0.815 121.303 120.400 0.147 0.000 2.211 312 K HA 0.385 4.553 4.320 -0.255 0.000 0.275 312 K C -1.448 175.159 176.600 0.011 0.000 1.024 312 K CA -0.480 55.852 56.287 0.075 0.000 0.887 312 K CB 1.615 34.144 32.500 0.049 0.000 1.084 312 K HN 0.471 nan 8.250 nan 0.000 0.463 313 L N 3.467 124.663 121.223 -0.045 0.000 2.272 313 L HA 0.253 4.440 4.340 -0.255 0.000 0.284 313 L C -0.096 176.694 176.870 -0.134 0.000 1.045 313 L CA -0.098 54.690 54.840 -0.087 0.000 0.842 313 L CB 0.472 42.489 42.059 -0.070 0.000 1.224 313 L HN 0.443 nan 8.230 nan 0.000 0.430 314 K N 4.875 125.142 120.400 -0.220 0.000 2.258 314 K HA 0.397 4.564 4.320 -0.255 0.000 0.284 314 K C -0.124 176.363 176.600 -0.187 0.000 1.051 314 K CA -0.303 55.841 56.287 -0.238 0.000 0.923 314 K CB 0.696 32.962 32.500 -0.391 0.000 1.046 314 K HN 0.852 nan 8.250 nan 0.000 0.474 315 L N 3.144 124.303 121.223 -0.106 0.000 3.128 315 L HA 0.080 4.267 4.340 -0.255 0.000 0.277 315 L C 1.019 177.760 176.870 -0.216 0.000 1.171 315 L CA 0.030 54.765 54.840 -0.174 0.000 1.008 315 L CB 0.313 42.291 42.059 -0.135 0.000 1.442 315 L HN 0.748 nan 8.230 nan 0.000 0.584 316 D N -0.563 119.803 120.400 -0.056 0.000 2.218 316 D HA -0.275 4.212 4.640 -0.255 0.000 0.204 316 D C 1.916 178.198 176.300 -0.029 0.000 0.976 316 D CA 1.357 55.336 54.000 -0.035 0.000 0.853 316 D CB -0.346 40.461 40.800 0.012 0.000 0.939 316 D HN 0.487 nan 8.370 nan 0.000 0.481 317 H N 0.773 119.826 119.070 -0.029 0.000 2.561 317 H HA 0.024 4.427 4.556 -0.255 0.000 0.278 317 H C 1.697 177.032 175.328 0.012 0.000 1.014 317 H CA 0.484 56.535 56.048 0.006 0.000 1.211 317 H CB -0.450 29.334 29.762 0.037 0.000 1.365 317 H HN 0.296 nan 8.280 nan 0.000 0.594 318 L N 0.361 121.322 121.223 -0.437 0.000 2.313 318 L HA 0.164 4.352 4.340 -0.255 0.000 0.214 318 L C 1.067 177.872 176.870 -0.109 0.000 1.119 318 L CA 0.537 55.219 54.840 -0.263 0.000 0.809 318 L CB -0.342 41.552 42.059 -0.274 0.000 0.933 318 L HN 0.540 nan 8.230 nan 0.000 0.449 319 G N 0.554 109.303 108.800 -0.085 0.000 2.705 319 G HA2 -0.248 3.559 3.960 -0.255 0.000 0.686 319 G HA3 -0.248 3.559 3.960 -0.255 0.000 0.686 319 G C 0.271 175.145 174.900 -0.044 0.000 1.285 319 G CA 0.029 45.103 45.100 -0.043 0.000 0.800 319 G HN 0.113 nan 8.290 nan 0.000 0.611 320 K N 0.089 120.470 120.400 -0.031 0.000 2.063 320 K HA -0.156 4.011 4.320 -0.255 0.000 0.208 320 K C 2.253 178.835 176.600 -0.030 0.000 1.048 320 K CA 2.159 58.429 56.287 -0.029 0.000 0.928 320 K CB -0.119 32.369 32.500 -0.021 0.000 0.713 320 K HN 0.671 nan 8.250 nan 0.000 0.442 321 E N -0.037 120.147 120.200 -0.027 0.000 2.047 321 E HA -0.155 4.042 4.350 -0.255 0.000 0.191 321 E C 1.871 178.450 176.600 -0.035 0.000 0.987 321 E CA 1.247 57.630 56.400 -0.028 0.000 0.799 321 E CB 0.134 29.821 29.700 -0.022 0.000 0.752 321 E HN 0.099 nan 8.360 nan 0.000 0.449 322 V N 1.304 121.196 119.914 -0.037 0.000 2.358 322 V HA -0.252 3.716 4.120 -0.255 0.000 0.246 322 V C 2.471 178.540 176.094 -0.041 0.000 1.047 322 V CA 1.459 63.735 62.300 -0.040 0.000 1.035 322 V CB -0.436 31.365 31.823 -0.036 0.000 0.658 322 V HN 0.332 nan 8.190 nan 0.000 0.452 323 L N -0.297 120.899 121.223 -0.046 0.000 2.012 323 L HA -0.230 3.957 4.340 -0.255 0.000 0.210 323 L C 2.556 179.406 176.870 -0.033 0.000 1.073 323 L CA 1.908 56.723 54.840 -0.042 0.000 0.748 323 L CB -0.632 41.398 42.059 -0.049 0.000 0.891 323 L HN 0.379 nan 8.230 nan 0.000 0.431 324 E N -0.921 119.259 120.200 -0.034 0.000 2.208 324 E HA -0.165 4.033 4.350 -0.255 0.000 0.193 324 E C 2.292 178.870 176.600 -0.036 0.000 0.988 324 E CA 1.204 57.585 56.400 -0.032 0.000 0.828 324 E CB 0.055 29.737 29.700 -0.030 0.000 0.763 324 E HN 0.395 nan 8.360 nan 0.000 0.478 325 S N 0.313 115.986 115.700 -0.044 0.000 2.404 325 S HA -0.009 4.308 4.470 -0.255 0.000 0.223 325 S C 1.888 176.449 174.600 -0.066 0.000 1.040 325 S CA 0.275 58.440 58.200 -0.059 0.000 0.957 325 S CB 0.233 63.389 63.200 -0.073 0.000 0.826 325 S HN 0.040 nan 8.310 nan 0.000 0.491 326 R N 0.512 120.980 120.500 -0.055 0.000 2.189 326 R HA 0.382 4.569 4.340 -0.255 0.000 0.203 326 R C 0.583 176.894 176.300 0.018 0.000 1.012 326 R CA 0.453 56.536 56.100 -0.029 0.000 1.015 326 R CB -0.494 29.805 30.300 -0.002 0.000 0.938 326 R HN 0.425 nan 8.270 nan 0.000 0.472 327 L N 1.832 123.058 121.223 0.005 0.000 3.193 327 L HA 0.256 4.443 4.340 -0.255 0.000 0.305 327 L C -1.698 175.172 176.870 -0.001 0.000 1.299 327 L CA -0.969 53.879 54.840 0.014 0.000 0.904 327 L CB 1.430 43.494 42.059 0.009 0.000 1.331 327 L HN -0.118 nan 8.230 nan 0.000 0.588 328 P HA -0.113 nan 4.420 nan 0.000 0.217 328 P C 1.632 178.926 177.300 -0.010 0.000 1.151 328 P CA 1.415 64.506 63.100 -0.016 0.000 0.828 328 P CB 0.338 32.023 31.700 -0.025 0.000 0.788 329 G N 1.226 110.023 108.800 -0.005 0.000 2.422 329 G HA2 -0.230 3.577 3.960 -0.255 0.000 0.218 329 G HA3 -0.230 3.577 3.960 -0.255 0.000 0.218 329 G C 1.475 176.388 174.900 0.021 0.000 1.146 329 G CA 1.107 46.209 45.100 0.004 0.000 0.769 329 G HN 0.397 nan 8.290 nan 0.000 0.547 330 I N -1.177 119.404 120.570 0.018 0.000 2.761 330 I HA 0.159 4.177 4.170 -0.255 0.000 0.261 330 I C 2.296 178.422 176.117 0.016 0.000 1.198 330 I CA 0.596 61.908 61.300 0.020 0.000 1.482 330 I CB -0.311 37.694 38.000 0.008 0.000 1.100 330 I HN 0.056 nan 8.210 nan 0.000 0.445 331 L N 0.662 121.887 121.223 0.004 0.000 2.017 331 L HA -0.172 4.015 4.340 -0.255 0.000 0.208 331 L C 2.672 179.545 176.870 0.005 0.000 1.073 331 L CA 1.826 56.664 54.840 -0.003 0.000 0.745 331 L CB -0.791 41.260 42.059 -0.014 0.000 0.894 331 L HN 0.288 nan 8.230 nan 0.000 0.432 332 E N 0.227 120.432 120.200 0.008 0.000 2.058 332 E HA -0.222 3.975 4.350 -0.255 0.000 0.194 332 E C 2.329 178.956 176.600 0.044 0.000 0.997 332 E CA 1.193 57.598 56.400 0.009 0.000 0.801 332 E CB -0.167 29.539 29.700 0.009 0.000 0.746 332 E HN 0.395 nan 8.360 nan 0.000 0.450 333 L N 0.373 121.656 121.223 0.100 0.000 2.046 333 L HA -0.184 4.004 4.340 -0.255 0.000 0.208 333 L C 2.648 179.652 176.870 0.223 0.000 1.077 333 L CA 1.007 55.986 54.840 0.231 0.000 0.747 333 L CB -0.418 41.763 42.059 0.202 0.000 0.896 333 L HN 0.136 nan 8.230 nan 0.000 0.432 334 S N -0.112 115.655 115.700 0.111 0.000 2.355 334 S HA -0.147 4.171 4.470 -0.255 0.000 0.222 334 S C 2.149 176.803 174.600 0.090 0.000 1.031 334 S CA 1.029 59.280 58.200 0.085 0.000 0.993 334 S CB -0.038 63.174 63.200 0.021 0.000 0.859 334 S HN 0.298 nan 8.310 nan 0.000 0.453 335 R N 0.012 120.538 120.500 0.044 0.000 2.091 335 R HA -0.050 4.137 4.340 -0.255 0.000 0.238 335 R C 2.494 178.794 176.300 0.000 0.000 1.136 335 R CA 2.030 58.138 56.100 0.013 0.000 0.959 335 R CB -0.854 29.427 30.300 -0.031 0.000 0.856 335 R HN 0.403 nan 8.270 nan 0.000 0.437 336 T N 0.004 114.511 114.554 -0.078 0.000 2.812 336 T HA -0.038 4.160 4.350 -0.255 0.000 0.264 336 T C 1.170 175.684 174.700 -0.310 0.000 1.042 336 T CA 1.192 63.117 62.100 -0.292 0.000 1.140 336 T CB -0.075 68.447 68.868 -0.578 0.000 0.870 336 T HN 0.093 nan 8.240 nan 0.000 0.445 337 F N 0.178 120.218 119.950 0.151 0.000 2.717 337 F HA 0.537 4.911 4.527 -0.255 0.000 0.295 337 F C 2.084 177.969 175.800 0.141 0.000 1.117 337 F CA -0.263 57.812 58.000 0.125 0.000 1.361 337 F CB 0.076 39.121 39.000 0.076 0.000 1.112 337 F HN 0.118 nan 8.300 nan 0.000 0.594 338 A N -2.101 120.909 122.820 0.317 0.000 2.358 338 A HA 0.256 4.424 4.320 -0.255 0.000 0.223 338 A C 0.071 177.937 177.584 0.471 0.000 1.218 338 A CA 0.045 52.284 52.037 0.337 0.000 0.942 338 A CB -0.502 18.555 19.000 0.095 0.000 1.005 338 A HN 0.323 nan 8.150 nan 0.000 0.514 339 H N -1.458 117.714 119.070 0.170 0.000 2.791 339 H HA -0.126 4.277 4.556 -0.254 0.000 0.302 339 H C -0.675 174.745 175.328 0.154 0.000 1.198 339 H CA 0.564 56.690 56.048 0.130 0.000 1.145 339 H CB -2.312 27.526 29.762 0.126 0.000 1.385 339 H HN 0.221 nan 8.280 nan 0.000 0.409 340 V N 0.621 120.657 119.914 0.203 0.000 2.577 340 V HA 0.215 4.182 4.120 -0.255 0.000 0.303 340 V C 0.163 176.282 176.094 0.042 0.000 1.042 340 V CA -0.941 61.427 62.300 0.113 0.000 0.872 340 V CB 2.295 34.132 31.823 0.022 0.000 0.998 340 V HN 0.281 nan 8.190 nan 0.000 0.423 341 D N 6.669 127.085 120.400 0.027 0.000 2.365 341 D HA 0.343 4.830 4.640 -0.255 0.000 0.237 341 D C -1.707 174.586 176.300 -0.011 0.000 1.190 341 D CA -2.110 51.892 54.000 0.003 0.000 0.867 341 D CB 2.077 42.878 40.800 0.002 0.000 1.050 341 D HN 0.183 nan 8.370 nan 0.000 0.491 342 P HA -0.103 nan 4.420 nan 0.000 0.225 342 P C 1.391 178.668 177.300 -0.038 0.000 1.148 342 P CA 0.346 63.422 63.100 -0.039 0.000 0.779 342 P CB 0.392 32.065 31.700 -0.044 0.000 0.780 343 V N -0.157 119.740 119.914 -0.029 0.000 2.759 343 V HA -0.157 3.810 4.120 -0.255 0.000 0.256 343 V C 1.942 178.026 176.094 -0.016 0.000 1.080 343 V CA 1.674 63.957 62.300 -0.027 0.000 1.101 343 V CB -0.725 31.084 31.823 -0.022 0.000 0.698 343 V HN 0.206 nan 8.190 nan 0.000 0.477 344 K N -0.728 119.667 120.400 -0.009 0.000 2.436 344 K HA 0.321 4.489 4.320 -0.255 0.000 0.198 344 K C 0.601 177.205 176.600 0.006 0.000 1.174 344 K CA 0.103 56.392 56.287 0.003 0.000 0.951 344 K CB 1.513 34.019 32.500 0.010 0.000 1.040 344 K HN 0.482 nan 8.250 nan 0.000 0.536 345 E N 1.294 121.491 120.200 -0.005 0.000 2.390 345 E HA 0.310 4.507 4.350 -0.255 0.000 0.277 345 E C -2.919 173.656 176.600 -0.042 0.000 0.939 345 E CA -2.318 54.078 56.400 -0.007 0.000 0.769 345 E CB 2.755 32.464 29.700 0.015 0.000 1.251 345 E HN -0.249 nan 8.360 nan 0.000 0.450 346 P HA 0.193 nan 4.420 nan 0.000 0.275 346 P C -0.630 176.578 177.300 -0.154 0.000 1.228 346 P CA 0.034 63.079 63.100 -0.092 0.000 0.786 346 P CB 0.461 32.118 31.700 -0.071 0.000 0.927 347 I N 4.352 124.826 120.570 -0.159 0.000 2.416 347 I HA 0.200 4.218 4.170 -0.255 0.000 0.288 347 I C -1.890 174.050 176.117 -0.294 0.000 1.051 347 I CA -2.315 58.850 61.300 -0.225 0.000 1.375 347 I CB 0.818 38.731 38.000 -0.146 0.000 1.407 347 I HN 0.149 nan 8.210 nan 0.000 0.516 348 P HA 0.140 nan 4.420 nan 0.000 0.276 348 P C -0.730 176.378 177.300 -0.321 0.000 1.253 348 P CA -0.031 62.678 63.100 -0.652 0.000 0.766 348 P CB 0.999 31.717 31.700 -1.637 0.000 0.845 349 V N 2.403 122.275 119.914 -0.070 0.000 3.040 349 V HA 0.754 4.722 4.120 -0.255 0.000 0.312 349 V C -0.639 175.503 176.094 0.080 0.000 1.115 349 V CA -1.187 61.110 62.300 -0.005 0.000 0.998 349 V CB 2.571 34.394 31.823 -0.000 0.000 1.042 349 V HN 0.491 nan 8.190 nan 0.000 0.433 350 I N 1.855 122.466 120.570 0.068 0.000 2.827 350 I HA 0.624 4.642 4.170 -0.255 0.000 0.298 350 I C -2.845 173.319 176.117 0.079 0.000 1.235 350 I CA -2.381 58.968 61.300 0.081 0.000 1.021 350 I CB 3.300 41.355 38.000 0.092 0.000 1.259 350 I HN 0.559 nan 8.210 nan 0.000 0.427 351 P HA 0.122 nan 4.420 nan 0.000 0.264 351 P C -1.444 175.955 177.300 0.165 0.000 1.183 351 P CA 0.301 63.466 63.100 0.108 0.000 0.763 351 P CB 0.417 32.143 31.700 0.042 0.000 0.807 352 T N 2.076 116.763 114.554 0.222 0.000 2.993 352 T HA 0.175 4.372 4.350 -0.255 0.000 0.312 352 T C -0.667 174.111 174.700 0.130 0.000 1.115 352 T CA -0.367 61.844 62.100 0.186 0.000 1.027 352 T CB 0.858 69.777 68.868 0.085 0.000 1.116 352 T HN 0.442 nan 8.240 nan 0.000 0.464 353 C N 3.358 122.598 119.300 -0.099 0.000 2.538 353 C HA 0.227 4.534 4.460 -0.255 0.000 0.408 353 C C 1.400 176.307 174.990 -0.139 0.000 1.421 353 C CA 1.037 59.688 59.018 -0.612 0.000 1.642 353 C CB -1.080 26.113 27.740 -0.911 0.000 2.553 353 C HN 1.157 nan 8.230 nan 0.000 0.604 354 H N 1.984 120.968 119.070 -0.144 0.000 2.627 354 H HA 0.275 4.679 4.556 -0.252 0.000 0.211 354 H C -0.929 174.521 175.328 0.203 0.000 0.873 354 H CA 0.499 56.590 56.048 0.071 0.000 0.969 354 H CB 0.241 30.100 29.762 0.162 0.000 1.328 354 H HN 0.739 nan 8.280 nan 0.000 0.423 355 Y N 0.879 121.163 120.300 -0.027 0.000 2.479 355 Y HA 0.377 4.774 4.550 -0.256 0.000 0.338 355 Y C -1.496 174.277 175.900 -0.212 0.000 1.055 355 Y CA -1.168 56.844 58.100 -0.145 0.000 1.023 355 Y CB 1.656 40.015 38.460 -0.168 0.000 1.287 355 Y HN 0.125 nan 8.280 nan 0.000 0.447 356 M N 7.234 126.143 119.600 -1.151 0.000 2.111 356 M HA 0.222 4.549 4.480 -0.255 0.000 0.351 356 M C -0.302 175.430 176.300 -0.947 0.000 1.214 356 M CA -0.297 54.196 55.300 -1.344 0.000 1.120 356 M CB 0.823 32.699 32.600 -1.207 0.000 1.443 356 M HN 1.051 nan 8.290 nan 0.000 0.429 357 M N 2.737 122.046 119.600 -0.485 0.000 2.296 357 M HA 0.102 4.429 4.480 -0.255 0.000 0.265 357 M C 1.224 177.428 176.300 -0.160 0.000 1.064 357 M CA 0.787 56.043 55.300 -0.074 0.000 1.109 357 M CB -0.215 32.418 32.600 0.055 0.000 1.396 357 M HN 0.719 nan 8.290 nan 0.000 0.430 358 G N -1.029 107.565 108.800 -0.343 0.000 2.621 358 G HA2 0.526 4.333 3.960 -0.255 0.000 0.271 358 G HA3 0.526 4.333 3.960 -0.255 0.000 0.271 358 G C 0.145 174.906 174.900 -0.231 0.000 1.236 358 G CA -0.076 44.876 45.100 -0.248 0.000 0.958 358 G HN 0.574 nan 8.290 nan 0.000 0.512 359 G N -1.714 106.991 108.800 -0.159 0.000 2.356 359 G HA2 0.228 4.035 3.960 -0.255 0.000 0.266 359 G HA3 0.228 4.035 3.960 -0.255 0.000 0.266 359 G C -0.938 173.905 174.900 -0.095 0.000 1.312 359 G CA -0.762 44.260 45.100 -0.130 0.000 0.922 359 G HN 0.743 nan 8.290 nan 0.000 0.480 360 I N 3.433 123.952 120.570 -0.086 0.000 2.452 360 I HA 0.253 4.270 4.170 -0.255 0.000 0.287 360 I C -1.662 174.390 176.117 -0.109 0.000 1.079 360 I CA -1.467 59.786 61.300 -0.079 0.000 1.387 360 I CB 1.286 39.248 38.000 -0.064 0.000 1.404 360 I HN 0.167 nan 8.210 nan 0.000 0.522 361 P HA 0.056 nan 4.420 nan 0.000 0.268 361 P C -0.442 176.765 177.300 -0.155 0.000 1.204 361 P CA 0.031 63.036 63.100 -0.158 0.000 0.768 361 P CB 0.674 32.283 31.700 -0.152 0.000 0.842 362 T N -0.323 114.122 114.554 -0.182 0.000 2.883 362 T HA 0.528 4.725 4.350 -0.255 0.000 0.296 362 T C -0.242 174.344 174.700 -0.190 0.000 1.117 362 T CA -1.021 60.972 62.100 -0.178 0.000 1.006 362 T CB 1.717 70.485 68.868 -0.166 0.000 1.191 362 T HN 0.144 nan 8.240 nan 0.000 0.508 363 K N 0.408 120.705 120.400 -0.171 0.000 2.102 363 K HA 0.512 4.679 4.320 -0.255 0.000 0.244 363 K C 1.222 177.709 176.600 -0.188 0.000 1.021 363 K CA -0.786 55.400 56.287 -0.168 0.000 0.913 363 K CB 0.857 33.268 32.500 -0.149 0.000 1.062 363 K HN 0.343 nan 8.250 nan 0.000 0.485 364 V N 1.102 120.895 119.914 -0.200 0.000 2.594 364 V HA -0.227 3.741 4.120 -0.255 0.000 0.253 364 V C 2.099 178.115 176.094 -0.130 0.000 1.069 364 V CA 2.378 64.566 62.300 -0.188 0.000 1.082 364 V CB -0.845 30.785 31.823 -0.320 0.000 0.680 364 V HN 1.027 nan 8.190 nan 0.000 0.469 365 T N -2.874 111.576 114.554 -0.173 0.000 3.113 365 T HA 0.189 4.386 4.350 -0.255 0.000 0.263 365 T C 1.605 176.377 174.700 0.120 0.000 1.143 365 T CA 1.055 63.108 62.100 -0.078 0.000 1.090 365 T CB 0.312 69.125 68.868 -0.091 0.000 0.922 365 T HN 0.895 nan 8.240 nan 0.000 0.521 366 G N 0.738 109.575 108.800 0.061 0.000 2.217 366 G HA2 -0.261 3.547 3.960 -0.255 0.000 0.246 366 G HA3 -0.261 3.547 3.960 -0.255 0.000 0.246 366 G C -0.048 174.899 174.900 0.078 0.000 0.990 366 G CA -0.034 45.142 45.100 0.128 0.000 0.627 366 G HN 0.669 nan 8.290 nan 0.000 0.522 367 Q N 0.928 120.682 119.800 -0.077 0.000 2.300 367 Q HA 0.521 4.708 4.340 -0.255 0.000 0.280 367 Q C 0.759 176.570 176.000 -0.315 0.000 1.033 367 Q CA 0.341 55.867 55.803 -0.461 0.000 0.903 367 Q CB 0.914 29.415 28.738 -0.394 0.000 1.195 367 Q HN 0.818 nan 8.270 nan 0.000 0.386 368 A N 3.526 126.133 122.820 -0.356 0.000 2.371 368 A HA 0.484 4.652 4.320 -0.255 0.000 0.257 368 A C -0.511 176.960 177.584 -0.188 0.000 1.089 368 A CA -0.384 51.523 52.037 -0.215 0.000 0.794 368 A CB 0.397 19.295 19.000 -0.171 0.000 1.029 368 A HN 0.698 nan 8.150 nan 0.000 0.488 369 L N 0.817 121.954 121.223 -0.143 0.000 2.342 369 L HA 0.680 4.867 4.340 -0.255 0.000 0.271 369 L C 0.532 177.345 176.870 -0.096 0.000 1.008 369 L CA -0.424 54.344 54.840 -0.120 0.000 0.818 369 L CB 2.236 44.227 42.059 -0.114 0.000 1.296 369 L HN 0.838 nan 8.230 nan 0.000 0.427 370 T N 0.726 115.230 114.554 -0.083 0.000 2.773 370 T HA 0.737 4.934 4.350 -0.255 0.000 0.278 370 T C -1.285 173.379 174.700 -0.060 0.000 1.011 370 T CA -0.460 61.599 62.100 -0.068 0.000 1.014 370 T CB 1.909 70.739 68.868 -0.063 0.000 1.293 370 T HN 0.427 nan 8.240 nan 0.000 0.554 371 V N 1.872 121.754 119.914 -0.053 0.000 2.769 371 V HA 0.790 4.757 4.120 -0.255 0.000 0.312 371 V C -0.212 175.856 176.094 -0.043 0.000 1.061 371 V CA -1.169 61.104 62.300 -0.045 0.000 0.931 371 V CB 1.372 33.171 31.823 -0.039 0.000 1.010 371 V HN 1.022 nan 8.190 nan 0.000 0.433 372 N N 2.084 120.762 118.700 -0.037 0.000 2.405 372 N HA 0.203 4.790 4.740 -0.255 0.000 0.269 372 N C 0.888 176.379 175.510 -0.032 0.000 1.249 372 N CA -0.076 52.953 53.050 -0.034 0.000 0.974 372 N CB 0.097 38.566 38.487 -0.030 0.000 1.204 372 N HN 0.853 nan 8.380 nan 0.000 0.565 373 E N -0.367 119.816 120.200 -0.029 0.000 2.209 373 E HA -0.231 3.966 4.350 -0.255 0.000 0.196 373 E C 0.526 177.112 176.600 -0.023 0.000 0.993 373 E CA 1.147 57.531 56.400 -0.027 0.000 0.819 373 E CB -0.386 29.300 29.700 -0.024 0.000 0.745 373 E HN 0.606 nan 8.360 nan 0.000 0.477 374 K N 0.162 120.549 120.400 -0.021 0.000 2.487 374 K HA 0.074 4.241 4.320 -0.255 0.000 0.192 374 K C 1.085 177.675 176.600 -0.018 0.000 1.027 374 K CA 0.483 56.759 56.287 -0.018 0.000 1.054 374 K CB 0.284 32.774 32.500 -0.016 0.000 0.824 374 K HN 0.354 nan 8.250 nan 0.000 0.510 375 G N 2.127 110.915 108.800 -0.021 0.000 2.143 375 G HA2 -0.279 3.529 3.960 -0.255 0.000 0.249 375 G HA3 -0.279 3.529 3.960 -0.255 0.000 0.249 375 G C -0.421 174.469 174.900 -0.017 0.000 0.981 375 G CA 0.028 45.117 45.100 -0.018 0.000 0.665 375 G HN 0.396 nan 8.290 nan 0.000 0.528 376 E N 0.745 120.933 120.200 -0.020 0.000 2.313 376 E HA 0.411 4.608 4.350 -0.255 0.000 0.272 376 E C -0.425 176.159 176.600 -0.028 0.000 1.038 376 E CA -0.813 55.574 56.400 -0.020 0.000 0.863 376 E CB 0.711 30.399 29.700 -0.020 0.000 1.060 376 E HN 0.192 nan 8.360 nan 0.000 0.402 377 D N 1.502 121.884 120.400 -0.030 0.000 2.425 377 D HA 0.128 4.615 4.640 -0.255 0.000 0.247 377 D C -0.655 175.617 176.300 -0.047 0.000 1.147 377 D CA 0.166 54.141 54.000 -0.042 0.000 0.879 377 D CB 0.958 41.731 40.800 -0.045 0.000 1.179 377 D HN 0.168 nan 8.370 nan 0.000 0.456 378 V N 0.138 120.019 119.914 -0.056 0.000 2.760 378 V HA 0.452 4.419 4.120 -0.255 0.000 0.309 378 V C -0.227 175.820 176.094 -0.078 0.000 1.077 378 V CA -0.983 61.282 62.300 -0.059 0.000 0.910 378 V CB 1.773 33.566 31.823 -0.049 0.000 1.008 378 V HN 0.204 nan 8.190 nan 0.000 0.424 379 V N 4.830 124.691 119.914 -0.089 0.000 2.673 379 V HA 0.107 4.074 4.120 -0.255 0.000 0.303 379 V C 0.649 176.673 176.094 -0.117 0.000 1.046 379 V CA 0.091 62.318 62.300 -0.122 0.000 1.126 379 V CB 1.347 33.090 31.823 -0.133 0.000 0.934 379 V HN 0.790 nan 8.190 nan 0.000 0.487 380 V N 8.574 128.403 119.914 -0.142 0.000 2.387 380 V HA 0.166 4.133 4.120 -0.255 0.000 0.260 380 V C -1.955 174.054 176.094 -0.142 0.000 1.054 380 V CA -1.466 60.762 62.300 -0.120 0.000 0.967 380 V CB 0.546 32.301 31.823 -0.113 0.000 1.036 380 V HN 0.809 nan 8.190 nan 0.000 0.481 381 P HA 0.203 nan 4.420 nan 0.000 0.266 381 P C 1.104 178.383 177.300 -0.035 0.000 1.195 381 P CA 1.080 64.140 63.100 -0.068 0.000 0.768 381 P CB 0.669 32.355 31.700 -0.024 0.000 0.838 382 G N 0.757 109.567 108.800 0.017 0.000 2.212 382 G HA2 -0.256 3.551 3.960 -0.255 0.000 0.266 382 G HA3 -0.256 3.551 3.960 -0.255 0.000 0.266 382 G C -0.291 174.721 174.900 0.188 0.000 0.978 382 G CA 0.214 45.403 45.100 0.149 0.000 0.632 382 G HN 0.609 nan 8.290 nan 0.000 0.537 383 L N 0.299 121.479 121.223 -0.072 0.000 2.346 383 L HA 0.912 5.100 4.340 -0.255 0.000 0.276 383 L C -0.669 176.012 176.870 -0.316 0.000 1.006 383 L CA -1.372 53.454 54.840 -0.023 0.000 0.817 383 L CB 1.166 43.193 42.059 -0.054 0.000 1.272 383 L HN 0.056 nan 8.230 nan 0.000 0.421 384 F N 3.021 122.958 119.950 -0.022 0.000 2.629 384 F HA 0.891 5.265 4.527 -0.255 0.000 0.316 384 F C -0.079 175.701 175.800 -0.034 0.000 1.081 384 F CA -0.616 57.368 58.000 -0.026 0.000 0.954 384 F CB 2.189 41.181 39.000 -0.014 0.000 1.337 384 F HN 0.604 nan 8.300 nan 0.000 0.474 385 A N 0.946 123.845 122.820 0.132 0.000 2.520 385 A HA 0.858 5.025 4.320 -0.255 0.000 0.298 385 A C -1.658 175.957 177.584 0.052 0.000 1.051 385 A CA -0.763 51.310 52.037 0.058 0.000 0.690 385 A CB 1.690 20.687 19.000 -0.005 0.000 1.281 385 A HN 1.160 nan 8.150 nan 0.000 0.402 386 V N -0.712 119.231 119.914 0.050 0.000 2.971 386 V HA 1.005 4.973 4.120 -0.255 0.000 0.309 386 V C 0.371 176.506 176.094 0.068 0.000 1.130 386 V CA 0.205 62.549 62.300 0.072 0.000 0.964 386 V CB 0.820 32.709 31.823 0.110 0.000 1.029 386 V HN 2.942 nan 8.190 nan 0.000 0.427 387 G N 2.346 111.209 108.800 0.105 0.000 2.482 387 G HA2 -0.184 3.623 3.960 -0.255 0.000 0.214 387 G HA3 -0.184 3.623 3.960 -0.255 0.000 0.214 387 G C 0.485 175.449 174.900 0.105 0.000 1.271 387 G CA 0.686 45.863 45.100 0.128 0.000 0.944 387 G HN 1.378 nan 8.290 nan 0.000 0.568 388 E N -0.671 119.581 120.200 0.087 0.000 2.204 388 E HA -0.079 4.118 4.350 -0.255 0.000 0.195 388 E C 2.512 179.043 176.600 -0.115 0.000 0.990 388 E CA 1.430 57.824 56.400 -0.011 0.000 0.821 388 E CB -0.112 29.534 29.700 -0.089 0.000 0.750 388 E HN 0.475 nan 8.360 nan 0.000 0.477 389 I N 0.958 121.486 120.570 -0.069 0.000 2.394 389 I HA -0.070 3.947 4.170 -0.255 0.000 0.251 389 I C 0.758 176.826 176.117 -0.081 0.000 1.136 389 I CA 0.606 61.856 61.300 -0.083 0.000 1.425 389 I CB -0.376 37.593 38.000 -0.052 0.000 1.079 389 I HN 0.062 nan 8.210 nan 0.000 0.425 390 A N -0.475 122.310 122.820 -0.057 0.000 2.322 390 A HA 0.377 4.544 4.320 -0.255 0.000 0.269 390 A C -0.129 177.397 177.584 -0.097 0.000 1.094 390 A CA -0.228 51.760 52.037 -0.082 0.000 0.807 390 A CB 0.331 19.278 19.000 -0.089 0.000 1.047 390 A HN 0.428 nan 8.150 nan 0.000 0.487 391 C N 3.455 122.675 119.300 -0.134 0.000 2.492 391 C HA 0.462 4.769 4.460 -0.255 0.000 0.284 391 C C 1.324 176.182 174.990 -0.219 0.000 1.082 391 C CA -0.438 58.492 59.018 -0.148 0.000 1.555 391 C CB -1.372 26.279 27.740 -0.149 0.000 1.798 391 C HN 0.652 nan 8.230 nan 0.000 0.413 392 V N 3.274 123.026 119.914 -0.269 0.000 2.358 392 V HA -0.011 3.956 4.120 -0.255 0.000 0.246 392 V C 1.439 177.378 176.094 -0.257 0.000 1.047 392 V CA 1.739 63.830 62.300 -0.348 0.000 1.035 392 V CB -0.372 31.082 31.823 -0.615 0.000 0.658 392 V HN 0.815 nan 8.190 nan 0.000 0.452 393 S N -0.184 115.406 115.700 -0.184 0.000 2.449 393 S HA 0.387 4.704 4.470 -0.255 0.000 0.310 393 S C 0.321 174.848 174.600 -0.123 0.000 1.096 393 S CA -0.331 57.782 58.200 -0.145 0.000 1.095 393 S CB 1.791 64.980 63.200 -0.018 0.000 1.007 393 S HN 0.261 nan 8.310 nan 0.000 0.474 394 V N 2.985 122.727 119.914 -0.287 0.000 3.647 394 V HA 0.374 4.341 4.120 -0.255 0.000 0.279 394 V C 0.936 176.855 176.094 -0.292 0.000 1.314 394 V CA 0.358 62.493 62.300 -0.274 0.000 1.125 394 V CB -0.866 30.798 31.823 -0.265 0.000 0.907 394 V HN 0.923 nan 8.190 nan 0.000 0.434 395 H N 0.535 119.649 119.070 0.073 0.000 3.058 395 H HA 0.449 4.853 4.556 -0.254 0.000 0.258 395 H C 1.822 177.189 175.328 0.065 0.000 1.015 395 H CA 0.336 56.425 56.048 0.067 0.000 1.210 395 H CB 0.768 30.584 29.762 0.090 0.000 1.481 395 H HN 0.509 nan 8.280 nan 0.000 0.492 396 G N 1.569 110.469 108.800 0.166 0.000 2.622 396 G HA2 -0.401 3.407 3.960 -0.255 0.000 0.307 396 G HA3 -0.401 3.407 3.960 -0.255 0.000 0.307 396 G C 1.148 176.129 174.900 0.133 0.000 1.226 396 G CA 1.448 46.633 45.100 0.142 0.000 0.997 396 G HN 0.591 nan 8.290 nan 0.000 0.551 397 A N 0.166 123.047 122.820 0.102 0.000 2.308 397 A HA 0.581 4.749 4.320 -0.255 0.000 0.217 397 A C 0.691 178.339 177.584 0.106 0.000 1.216 397 A CA 1.491 53.590 52.037 0.103 0.000 0.864 397 A CB -0.235 18.825 19.000 0.100 0.000 0.902 397 A HN 1.760 nan 8.150 nan 0.000 0.499 398 N N -0.759 118.002 118.700 0.103 0.000 2.777 398 N HA 0.143 4.730 4.740 -0.255 0.000 0.260 398 N C -1.022 174.532 175.510 0.073 0.000 1.113 398 N CA -0.390 52.712 53.050 0.087 0.000 0.996 398 N CB 0.842 39.374 38.487 0.074 0.000 1.584 398 N HN 0.247 nan 8.380 nan 0.000 0.573 399 R N 3.828 124.345 120.500 0.028 0.000 2.441 399 R HA 0.417 4.605 4.340 -0.255 0.000 0.284 399 R C -0.425 175.849 176.300 -0.044 0.000 1.070 399 R CA -0.402 55.660 56.100 -0.064 0.000 1.047 399 R CB 0.551 30.576 30.300 -0.457 0.000 1.016 399 R HN 0.550 nan 8.270 nan 0.000 0.477 400 L N 3.348 124.586 121.223 0.026 0.000 2.380 400 L HA 0.230 4.418 4.340 -0.255 0.000 0.273 400 L C 1.103 178.015 176.870 0.069 0.000 1.138 400 L CA -0.311 54.566 54.840 0.063 0.000 0.832 400 L CB 0.994 43.134 42.059 0.136 0.000 1.124 400 L HN 0.853 nan 8.230 nan 0.000 0.454 401 G N 1.163 110.064 108.800 0.168 0.000 2.321 401 G HA2 0.296 4.104 3.960 -0.255 0.000 0.237 401 G HA3 0.296 4.104 3.960 -0.255 0.000 0.237 401 G C 0.999 176.005 174.900 0.175 0.000 1.282 401 G CA 0.407 45.736 45.100 0.382 0.000 0.886 401 G HN 1.084 nan 8.290 nan 0.000 0.528 402 G N 2.145 110.939 108.800 -0.010 0.000 2.225 402 G HA2 -0.316 3.491 3.960 -0.255 0.000 0.254 402 G HA3 -0.316 3.491 3.960 -0.255 0.000 0.254 402 G C 1.169 176.050 174.900 -0.033 0.000 0.988 402 G CA 0.659 45.651 45.100 -0.180 0.000 0.625 402 G HN 0.702 nan 8.290 nan 0.000 0.527 403 N N 0.393 119.115 118.700 0.036 0.000 2.412 403 N HA 0.181 4.768 4.740 -0.255 0.000 0.184 403 N C 2.046 177.649 175.510 0.155 0.000 1.101 403 N CA 1.287 54.427 53.050 0.150 0.000 0.881 403 N CB 0.159 38.797 38.487 0.251 0.000 0.969 403 N HN 0.463 nan 8.380 nan 0.000 0.459 404 S N 0.061 115.747 115.700 -0.024 0.000 2.371 404 S HA 0.139 4.457 4.470 -0.255 0.000 0.221 404 S C 1.775 176.439 174.600 0.108 0.000 1.036 404 S CA 0.339 58.538 58.200 -0.001 0.000 0.965 404 S CB -0.112 62.983 63.200 -0.175 0.000 0.845 404 S HN 0.188 nan 8.310 nan 0.000 0.475 405 L N 1.169 122.430 121.223 0.063 0.000 2.083 405 L HA -0.080 4.107 4.340 -0.255 0.000 0.209 405 L C 2.540 179.457 176.870 0.079 0.000 1.083 405 L CA 0.930 55.811 54.840 0.067 0.000 0.752 405 L CB -0.659 41.423 42.059 0.038 0.000 0.899 405 L HN 0.366 nan 8.230 nan 0.000 0.433 406 L N 0.631 121.905 121.223 0.085 0.000 2.017 406 L HA -0.256 3.932 4.340 -0.255 0.000 0.208 406 L C 2.218 179.142 176.870 0.090 0.000 1.073 406 L CA 2.121 57.008 54.840 0.078 0.000 0.745 406 L CB -0.748 41.377 42.059 0.110 0.000 0.894 406 L HN 0.275 nan 8.230 nan 0.000 0.432 407 D N -0.549 119.971 120.400 0.199 0.000 2.116 407 D HA -0.243 4.244 4.640 -0.255 0.000 0.193 407 D C 2.145 178.621 176.300 0.293 0.000 0.998 407 D CA 2.039 56.245 54.000 0.343 0.000 0.836 407 D CB -0.271 40.819 40.800 0.484 0.000 0.951 407 D HN 0.472 nan 8.370 nan 0.000 0.449 408 L N -0.266 121.081 121.223 0.207 0.000 2.042 408 L HA -0.161 4.026 4.340 -0.255 0.000 0.210 408 L C 2.752 179.688 176.870 0.110 0.000 1.076 408 L CA 0.926 55.862 54.840 0.159 0.000 0.749 408 L CB -0.585 41.540 42.059 0.110 0.000 0.893 408 L HN 0.037 nan 8.230 nan 0.000 0.432 409 V N -0.949 119.003 119.914 0.064 0.000 2.346 409 V HA -0.167 3.800 4.120 -0.255 0.000 0.244 409 V C 2.405 178.485 176.094 -0.022 0.000 1.037 409 V CA 1.109 63.421 62.300 0.019 0.000 1.029 409 V CB 0.047 31.873 31.823 0.005 0.000 0.663 409 V HN 0.144 nan 8.190 nan 0.000 0.454 410 V N -0.439 119.414 119.914 -0.101 0.000 2.295 410 V HA -0.221 3.746 4.120 -0.255 0.000 0.246 410 V C 2.183 178.134 176.094 -0.238 0.000 1.049 410 V CA 2.227 64.368 62.300 -0.266 0.000 1.024 410 V CB -0.672 30.843 31.823 -0.514 0.000 0.648 410 V HN 0.471 nan 8.190 nan 0.000 0.447 411 F N 0.890 120.914 119.950 0.122 0.000 2.335 411 F HA 0.187 4.561 4.527 -0.255 0.000 0.296 411 F C 2.349 178.201 175.800 0.085 0.000 1.091 411 F CA 0.840 58.908 58.000 0.114 0.000 1.399 411 F CB -1.301 37.751 39.000 0.086 0.000 1.067 411 F HN 0.161 nan 8.300 nan 0.000 0.520 412 G N 0.050 108.971 108.800 0.201 0.000 2.446 412 G HA2 -0.279 3.528 3.960 -0.255 0.000 0.217 412 G HA3 -0.279 3.528 3.960 -0.255 0.000 0.217 412 G C 1.849 176.799 174.900 0.083 0.000 1.168 412 G CA 0.819 45.989 45.100 0.117 0.000 0.771 412 G HN 0.251 nan 8.290 nan 0.000 0.551 413 R N 0.477 121.016 120.500 0.065 0.000 2.075 413 R HA 0.068 4.256 4.340 -0.255 0.000 0.232 413 R C 2.891 179.239 176.300 0.081 0.000 1.126 413 R CA 1.383 57.508 56.100 0.042 0.000 0.963 413 R CB -0.390 29.917 30.300 0.011 0.000 0.858 413 R HN 0.278 nan 8.270 nan 0.000 0.435 414 A N 0.842 123.755 122.820 0.155 0.000 1.908 414 A HA -0.132 4.035 4.320 -0.255 0.000 0.218 414 A C 2.354 180.102 177.584 0.273 0.000 1.181 414 A CA 1.739 53.939 52.037 0.272 0.000 0.627 414 A CB -0.777 18.426 19.000 0.339 0.000 0.818 414 A HN 0.546 nan 8.150 nan 0.000 0.445 415 A N -0.571 122.371 122.820 0.203 0.000 1.908 415 A HA 0.092 4.259 4.320 -0.255 0.000 0.218 415 A C 2.390 180.008 177.584 0.058 0.000 1.181 415 A CA 2.011 54.142 52.037 0.155 0.000 0.627 415 A CB -1.305 17.766 19.000 0.118 0.000 0.818 415 A HN 0.728 nan 8.150 nan 0.000 0.445 416 G N -0.486 108.326 108.800 0.021 0.000 2.403 416 G HA2 -0.065 3.743 3.960 -0.255 0.000 0.216 416 G HA3 -0.065 3.743 3.960 -0.255 0.000 0.216 416 G C 1.534 176.408 174.900 -0.044 0.000 1.154 416 G CA 0.849 45.928 45.100 -0.035 0.000 0.784 416 G HN 0.418 nan 8.290 nan 0.000 0.538 417 L N -0.186 121.006 121.223 -0.050 0.000 2.083 417 L HA -0.048 4.139 4.340 -0.255 0.000 0.209 417 L C 2.343 179.052 176.870 -0.268 0.000 1.083 417 L CA 0.889 55.624 54.840 -0.175 0.000 0.752 417 L CB -0.284 41.623 42.059 -0.253 0.000 0.899 417 L HN 0.276 nan 8.230 nan 0.000 0.433 418 H N -1.338 117.745 119.070 0.021 0.000 2.539 418 H HA 0.050 4.453 4.556 -0.255 0.000 0.269 418 H C 1.915 177.262 175.328 0.032 0.000 0.980 418 H CA 0.106 56.174 56.048 0.033 0.000 1.152 418 H CB 0.649 30.440 29.762 0.049 0.000 1.407 418 H HN 0.200 nan 8.280 nan 0.000 0.564 419 L N 1.162 122.411 121.223 0.044 0.000 2.042 419 L HA -0.196 3.991 4.340 -0.255 0.000 0.210 419 L C 2.412 179.289 176.870 0.011 0.000 1.076 419 L CA 1.643 56.463 54.840 -0.032 0.000 0.749 419 L CB -0.245 41.727 42.059 -0.144 0.000 0.893 419 L HN 0.147 nan 8.230 nan 0.000 0.432 420 Q N -0.868 118.936 119.800 0.007 0.000 2.050 420 Q HA -0.245 3.943 4.340 -0.255 0.000 0.202 420 Q C 2.134 178.163 176.000 0.049 0.000 0.980 420 Q CA 2.011 57.824 55.803 0.018 0.000 0.840 420 Q CB -0.109 28.630 28.738 0.002 0.000 0.898 420 Q HN 0.608 nan 8.270 nan 0.000 0.424 421 E N -0.162 120.081 120.200 0.070 0.000 2.077 421 E HA -0.152 4.045 4.350 -0.255 0.000 0.193 421 E C 2.139 178.803 176.600 0.107 0.000 0.989 421 E CA 1.279 57.732 56.400 0.089 0.000 0.800 421 E CB 0.048 29.820 29.700 0.120 0.000 0.746 421 E HN 0.169 nan 8.360 nan 0.000 0.452 422 S N 0.790 116.584 115.700 0.156 0.000 2.368 422 S HA -0.123 4.194 4.470 -0.255 0.000 0.225 422 S C 2.029 176.746 174.600 0.195 0.000 1.030 422 S CA 0.802 59.129 58.200 0.211 0.000 0.999 422 S CB -0.149 63.306 63.200 0.425 0.000 0.844 422 S HN 0.202 nan 8.310 nan 0.000 0.459 423 I N 1.559 122.228 120.570 0.165 0.000 2.315 423 I HA -0.179 3.839 4.170 -0.255 0.000 0.248 423 I C 2.621 178.785 176.117 0.079 0.000 1.117 423 I CA 1.034 62.407 61.300 0.122 0.000 1.404 423 I CB -0.383 37.661 38.000 0.074 0.000 1.071 423 I HN 0.272 nan 8.210 nan 0.000 0.419 424 A N 0.126 122.985 122.820 0.065 0.000 1.929 424 A HA -0.226 3.942 4.320 -0.255 0.000 0.216 424 A C 2.331 179.941 177.584 0.042 0.000 1.176 424 A CA 1.599 53.664 52.037 0.046 0.000 0.628 424 A CB -0.521 18.502 19.000 0.038 0.000 0.816 424 A HN 0.492 nan 8.150 nan 0.000 0.444 425 E N 0.290 120.519 120.200 0.050 0.000 2.106 425 E HA -0.258 3.939 4.350 -0.255 0.000 0.192 425 E C 2.126 178.742 176.600 0.027 0.000 0.984 425 E CA 1.313 57.734 56.400 0.034 0.000 0.806 425 E CB -0.197 29.523 29.700 0.034 0.000 0.750 425 E HN 0.876 nan 8.360 nan 0.000 0.458 426 Q N 0.127 119.950 119.800 0.039 0.000 2.389 426 Q HA 0.097 4.285 4.340 -0.255 0.000 0.204 426 Q C 0.873 176.889 176.000 0.028 0.000 0.944 426 Q CA 0.681 56.501 55.803 0.028 0.000 0.908 426 Q CB 0.127 28.889 28.738 0.040 0.000 1.002 426 Q HN 0.203 nan 8.270 nan 0.000 0.493 427 G N 1.108 109.928 108.800 0.032 0.000 2.855 427 G HA2 -0.144 3.663 3.960 -0.255 0.000 0.352 427 G HA3 -0.144 3.663 3.960 -0.255 0.000 0.352 427 G C -0.277 174.641 174.900 0.031 0.000 1.415 427 G CA -0.362 44.755 45.100 0.027 0.000 0.871 427 G HN 0.839 nan 8.290 nan 0.000 0.543 428 A N -0.261 122.574 122.820 0.025 0.000 2.511 428 A HA 0.567 4.735 4.320 -0.255 0.000 0.242 428 A C 0.737 178.338 177.584 0.028 0.000 1.069 428 A CA 0.350 52.402 52.037 0.026 0.000 0.763 428 A CB 0.035 19.047 19.000 0.020 0.000 1.001 428 A HN 1.217 nan 8.150 nan 0.000 0.498 429 L N 2.659 123.903 121.223 0.035 0.000 2.309 429 L HA 0.454 4.641 4.340 -0.255 0.000 0.282 429 L C 0.972 177.864 176.870 0.035 0.000 1.036 429 L CA -0.666 54.196 54.840 0.037 0.000 0.806 429 L CB 1.250 43.339 42.059 0.050 0.000 1.220 429 L HN 0.881 nan 8.230 nan 0.000 0.429 430 R N 1.247 121.764 120.500 0.030 0.000 2.694 430 R HA 0.042 4.229 4.340 -0.255 0.000 0.268 430 R C -0.645 175.679 176.300 0.040 0.000 1.061 430 R CA -0.549 55.568 56.100 0.028 0.000 1.133 430 R CB 0.557 30.868 30.300 0.019 0.000 1.020 430 R HN 0.498 nan 8.270 nan 0.000 0.475 431 D N 1.528 121.953 120.400 0.041 0.000 2.414 431 D HA 0.096 4.584 4.640 -0.255 0.000 0.242 431 D C -0.345 175.986 176.300 0.051 0.000 1.129 431 D CA 0.366 54.402 54.000 0.059 0.000 0.885 431 D CB 1.065 41.897 40.800 0.053 0.000 1.198 431 D HN 0.621 nan 8.370 nan 0.000 0.437 432 A N 2.022 124.884 122.820 0.070 0.000 2.511 432 A HA 0.329 4.496 4.320 -0.255 0.000 0.242 432 A C 0.799 178.379 177.584 -0.007 0.000 1.069 432 A CA -0.294 51.748 52.037 0.008 0.000 0.763 432 A CB -0.048 18.916 19.000 -0.060 0.000 1.001 432 A HN 0.539 nan 8.150 nan 0.000 0.498 433 S N 1.261 116.947 115.700 -0.025 0.000 2.624 433 S HA 0.146 4.463 4.470 -0.255 0.000 0.263 433 S C 0.980 175.548 174.600 -0.052 0.000 1.287 433 S CA 0.341 58.526 58.200 -0.024 0.000 0.990 433 S CB 0.755 63.942 63.200 -0.021 0.000 0.950 433 S HN 0.823 nan 8.310 nan 0.000 0.561 434 E N 0.523 120.701 120.200 -0.037 0.000 2.153 434 E HA -0.187 4.011 4.350 -0.255 0.000 0.194 434 E C 2.034 178.600 176.600 -0.057 0.000 0.988 434 E CA 1.438 57.809 56.400 -0.047 0.000 0.811 434 E CB -0.305 29.382 29.700 -0.022 0.000 0.746 434 E HN 0.825 nan 8.360 nan 0.000 0.466 435 S N 0.293 115.967 115.700 -0.044 0.000 2.402 435 S HA -0.151 4.167 4.470 -0.255 0.000 0.229 435 S C 1.496 176.063 174.600 -0.055 0.000 1.021 435 S CA 1.209 59.385 58.200 -0.041 0.000 0.974 435 S CB -0.122 63.061 63.200 -0.028 0.000 0.800 435 S HN 0.219 nan 8.310 nan 0.000 0.484 436 D N 1.465 121.823 120.400 -0.070 0.000 2.144 436 D HA -0.025 4.463 4.640 -0.255 0.000 0.199 436 D C 2.106 178.328 176.300 -0.130 0.000 0.984 436 D CA 1.066 55.015 54.000 -0.085 0.000 0.834 436 D CB -0.391 40.358 40.800 -0.086 0.000 0.955 436 D HN 0.366 nan 8.370 nan 0.000 0.465 437 V N 0.804 120.604 119.914 -0.190 0.000 2.379 437 V HA -0.184 3.784 4.120 -0.255 0.000 0.245 437 V C 2.422 178.442 176.094 -0.124 0.000 1.044 437 V CA 1.370 63.515 62.300 -0.257 0.000 1.036 437 V CB -0.351 31.259 31.823 -0.354 0.000 0.664 437 V HN 0.052 nan 8.190 nan 0.000 0.453 438 E N 1.048 121.199 120.200 -0.082 0.000 2.097 438 E HA -0.234 3.963 4.350 -0.255 0.000 0.196 438 E C 2.124 178.707 176.600 -0.028 0.000 1.000 438 E CA 1.767 58.143 56.400 -0.040 0.000 0.804 438 E CB -0.528 29.153 29.700 -0.031 0.000 0.740 438 E HN 0.525 nan 8.360 nan 0.000 0.454 439 A N -0.387 122.411 122.820 -0.036 0.000 2.024 439 A HA -0.144 4.024 4.320 -0.255 0.000 0.220 439 A C 2.323 179.902 177.584 -0.009 0.000 1.164 439 A CA 1.749 53.773 52.037 -0.022 0.000 0.643 439 A CB -0.517 18.467 19.000 -0.027 0.000 0.806 439 A HN 0.239 nan 8.150 nan 0.000 0.451 440 S N -0.742 114.948 115.700 -0.017 0.000 2.561 440 S HA 0.160 4.478 4.470 -0.255 0.000 0.225 440 S C 1.229 175.852 174.600 0.038 0.000 0.977 440 S CA 0.489 58.695 58.200 0.009 0.000 0.926 440 S CB -0.202 62.995 63.200 -0.006 0.000 0.769 440 S HN 0.532 nan 8.310 nan 0.000 0.533 441 L N 0.237 121.478 121.223 0.029 0.000 2.640 441 L HA 0.172 4.360 4.340 -0.255 0.000 0.230 441 L C 1.297 178.197 176.870 0.050 0.000 1.123 441 L CA 0.045 54.915 54.840 0.050 0.000 0.900 441 L CB -0.121 41.962 42.059 0.040 0.000 1.146 441 L HN 0.052 nan 8.230 nan 0.000 0.484 442 D N 0.977 121.397 120.400 0.032 0.000 2.123 442 D HA -0.219 4.268 4.640 -0.255 0.000 0.196 442 D C 2.142 178.461 176.300 0.031 0.000 0.992 442 D CA 1.200 55.212 54.000 0.020 0.000 0.833 442 D CB 0.056 40.857 40.800 0.003 0.000 0.954 442 D HN 0.206 nan 8.370 nan 0.000 0.455 443 R N 0.158 120.694 120.500 0.061 0.000 2.081 443 R HA -0.120 4.067 4.340 -0.255 0.000 0.235 443 R C 2.321 178.735 176.300 0.190 0.000 1.131 443 R CA 0.850 57.007 56.100 0.095 0.000 0.960 443 R CB -0.370 30.011 30.300 0.134 0.000 0.856 443 R HN 0.158 nan 8.270 nan 0.000 0.436 444 L N 1.449 122.785 121.223 0.188 0.000 2.027 444 L HA -0.119 4.068 4.340 -0.255 0.000 0.206 444 L C 1.412 178.383 176.870 0.168 0.000 1.074 444 L CA 1.823 56.789 54.840 0.210 0.000 0.745 444 L CB -0.571 41.571 42.059 0.138 0.000 0.898 444 L HN 0.190 nan 8.230 nan 0.000 0.433 445 N N -0.084 118.674 118.700 0.097 0.000 2.223 445 N HA -0.205 4.382 4.740 -0.255 0.000 0.185 445 N C 1.929 177.465 175.510 0.043 0.000 1.016 445 N CA 1.171 54.258 53.050 0.062 0.000 0.863 445 N CB -0.484 38.023 38.487 0.033 0.000 0.983 445 N HN 0.438 nan 8.380 nan 0.000 0.429 446 R N 0.029 120.534 120.500 0.007 0.000 2.070 446 R HA -0.132 4.055 4.340 -0.255 0.000 0.233 446 R C 1.901 178.159 176.300 -0.071 0.000 1.137 446 R CA 1.510 57.553 56.100 -0.095 0.000 0.945 446 R CB -0.299 29.867 30.300 -0.223 0.000 0.845 446 R HN 0.257 nan 8.270 nan 0.000 0.430 447 W N 1.211 122.501 121.300 -0.016 0.000 2.355 447 W HA -0.124 4.383 4.660 -0.255 0.000 0.309 447 W C 2.031 178.537 176.519 -0.023 0.000 1.206 447 W CA 0.572 57.903 57.345 -0.023 0.000 1.284 447 W CB -0.458 28.982 29.460 -0.033 0.000 1.145 447 W HN 0.197 nan 8.180 nan 0.000 0.502 448 N N -0.020 118.814 118.700 0.224 0.000 2.430 448 N HA -0.144 4.443 4.740 -0.255 0.000 0.186 448 N C 0.919 176.475 175.510 0.076 0.000 1.032 448 N CA 1.116 54.237 53.050 0.119 0.000 0.893 448 N CB -0.483 38.051 38.487 0.079 0.000 0.957 448 N HN 0.394 nan 8.380 nan 0.000 0.442 449 N N -0.195 118.541 118.700 0.059 0.000 2.227 449 N HA -0.023 4.564 4.740 -0.255 0.000 0.196 449 N C -0.257 175.263 175.510 0.015 0.000 1.142 449 N CA -0.069 52.996 53.050 0.026 0.000 0.887 449 N CB 0.354 38.846 38.487 0.007 0.000 1.022 449 N HN 0.082 nan 8.380 nan 0.000 0.500 450 N N 2.095 120.806 118.700 0.018 0.000 2.439 450 N HA 0.100 4.688 4.740 -0.255 0.000 0.243 450 N C 0.652 176.185 175.510 0.038 0.000 1.088 450 N CA -0.039 53.011 53.050 -0.001 0.000 0.940 450 N CB 0.611 39.057 38.487 -0.069 0.000 1.180 450 N HN -0.033 nan 8.380 nan 0.000 0.505 451 R N 2.296 122.811 120.500 0.025 0.000 2.156 451 R HA 0.178 4.365 4.340 -0.255 0.000 0.207 451 R C 0.392 176.707 176.300 0.024 0.000 1.040 451 R CA 0.560 56.678 56.100 0.031 0.000 1.013 451 R CB 0.069 30.381 30.300 0.020 0.000 0.931 451 R HN 0.521 nan 8.270 nan 0.000 0.465 452 N N -0.027 118.678 118.700 0.010 0.000 2.205 452 N HA 0.071 4.659 4.740 -0.255 0.000 0.201 452 N C 0.915 176.426 175.510 0.001 0.000 1.128 452 N CA 0.317 53.371 53.050 0.005 0.000 0.867 452 N CB 0.702 39.188 38.487 -0.001 0.000 0.996 452 N HN 0.108 nan 8.380 nan 0.000 0.503 453 G N 0.483 109.280 108.800 -0.005 0.000 2.468 453 G HA2 0.056 3.863 3.960 -0.255 0.000 0.264 453 G HA3 0.056 3.863 3.960 -0.255 0.000 0.264 453 G C 0.101 175.005 174.900 0.006 0.000 1.460 453 G CA -0.318 44.774 45.100 -0.014 0.000 1.060 453 G HN 0.058 nan 8.290 nan 0.000 0.543 454 E N 0.220 120.422 120.200 0.002 0.000 2.366 454 E HA 0.075 4.272 4.350 -0.255 0.000 0.266 454 E C -0.746 175.885 176.600 0.052 0.000 1.051 454 E CA -0.436 55.976 56.400 0.019 0.000 0.884 454 E CB 1.103 30.807 29.700 0.007 0.000 1.006 454 E HN 0.318 nan 8.360 nan 0.000 0.417 455 D N 3.267 123.695 120.400 0.048 0.000 2.412 455 D HA -0.018 4.470 4.640 -0.255 0.000 0.257 455 D C -1.446 174.900 176.300 0.077 0.000 1.217 455 D CA -1.739 52.296 54.000 0.058 0.000 0.897 455 D CB 0.858 41.681 40.800 0.037 0.000 1.132 455 D HN 0.132 nan 8.370 nan 0.000 0.493 456 P HA -0.127 nan 4.420 nan 0.000 0.220 456 P C 1.540 178.879 177.300 0.065 0.000 1.148 456 P CA 0.323 63.499 63.100 0.128 0.000 0.803 456 P CB 0.429 32.211 31.700 0.137 0.000 0.782 457 V N 1.127 121.065 119.914 0.041 0.000 2.307 457 V HA -0.208 3.760 4.120 -0.255 0.000 0.245 457 V C 2.815 178.925 176.094 0.026 0.000 1.045 457 V CA 2.282 64.597 62.300 0.025 0.000 1.024 457 V CB -1.659 30.174 31.823 0.017 0.000 0.651 457 V HN 0.107 nan 8.190 nan 0.000 0.449 458 A N -0.430 122.406 122.820 0.027 0.000 1.969 458 A HA -0.131 4.036 4.320 -0.255 0.000 0.218 458 A C 2.177 179.773 177.584 0.021 0.000 1.169 458 A CA 1.621 53.671 52.037 0.021 0.000 0.635 458 A CB -0.506 18.506 19.000 0.019 0.000 0.810 458 A HN 0.517 nan 8.150 nan 0.000 0.445 459 I N -1.102 119.487 120.570 0.032 0.000 2.202 459 I HA -0.226 3.791 4.170 -0.255 0.000 0.242 459 I C 2.720 178.851 176.117 0.024 0.000 1.091 459 I CA 1.513 62.833 61.300 0.032 0.000 1.368 459 I CB -0.313 37.720 38.000 0.055 0.000 1.058 459 I HN 0.382 nan 8.210 nan 0.000 0.410 460 R N 1.558 122.076 120.500 0.029 0.000 2.091 460 R HA -0.207 3.980 4.340 -0.255 0.000 0.238 460 R C 2.220 178.521 176.300 0.003 0.000 1.136 460 R CA 1.652 57.762 56.100 0.016 0.000 0.959 460 R CB -0.060 30.251 30.300 0.019 0.000 0.856 460 R HN 0.277 nan 8.270 nan 0.000 0.437 461 K N -0.188 120.217 120.400 0.007 0.000 2.057 461 K HA -0.085 4.083 4.320 -0.255 0.000 0.207 461 K C 2.090 178.681 176.600 -0.016 0.000 1.049 461 K CA 1.401 57.689 56.287 0.001 0.000 0.931 461 K CB -0.118 32.387 32.500 0.009 0.000 0.714 461 K HN 0.234 nan 8.250 nan 0.000 0.440 462 A N 1.576 124.386 122.820 -0.015 0.000 1.898 462 A HA -0.138 4.029 4.320 -0.255 0.000 0.216 462 A C 2.102 179.661 177.584 -0.040 0.000 1.181 462 A CA 1.096 53.116 52.037 -0.029 0.000 0.620 462 A CB -0.610 18.382 19.000 -0.013 0.000 0.819 462 A HN 0.339 nan 8.150 nan 0.000 0.442 463 L N -0.684 120.520 121.223 -0.031 0.000 2.046 463 L HA -0.272 3.916 4.340 -0.255 0.000 0.208 463 L C 2.613 179.431 176.870 -0.086 0.000 1.077 463 L CA 2.093 56.904 54.840 -0.047 0.000 0.747 463 L CB -0.421 41.615 42.059 -0.038 0.000 0.896 463 L HN 0.483 nan 8.230 nan 0.000 0.432 464 Q N -0.397 119.358 119.800 -0.075 0.000 2.119 464 Q HA -0.283 3.905 4.340 -0.255 0.000 0.201 464 Q C 2.067 178.029 176.000 -0.063 0.000 0.972 464 Q CA 1.965 57.718 55.803 -0.084 0.000 0.847 464 Q CB -0.099 28.619 28.738 -0.034 0.000 0.903 464 Q HN 0.618 nan 8.270 nan 0.000 0.433 465 E N 0.033 120.187 120.200 -0.075 0.000 2.072 465 E HA -0.206 3.992 4.350 -0.255 0.000 0.191 465 E C 2.057 178.528 176.600 -0.215 0.000 0.985 465 E CA 1.086 57.395 56.400 -0.152 0.000 0.801 465 E CB -0.135 29.442 29.700 -0.206 0.000 0.750 465 E HN 0.374 nan 8.360 nan 0.000 0.452 466 C N 0.631 119.856 119.300 -0.125 0.000 2.429 466 C HA -0.125 4.183 4.460 -0.255 0.000 0.277 466 C C 2.598 177.642 174.990 0.089 0.000 1.262 466 C CA 0.875 59.873 59.018 -0.034 0.000 1.733 466 C CB -0.752 26.998 27.740 0.018 0.000 2.010 466 C HN 0.525 nan 8.230 nan 0.000 0.483 467 M N 0.063 119.668 119.600 0.009 0.000 2.175 467 M HA -0.074 4.253 4.480 -0.255 0.000 0.264 467 M C 2.074 178.477 176.300 0.172 0.000 1.063 467 M CA 1.534 56.823 55.300 -0.020 0.000 1.119 467 M CB -1.747 30.444 32.600 -0.681 0.000 1.377 467 M HN 0.470 nan 8.290 nan 0.000 0.415 468 Q N -0.140 119.778 119.800 0.196 0.000 2.079 468 Q HA -0.117 4.070 4.340 -0.255 0.000 0.200 468 Q C 1.917 178.137 176.000 0.367 0.000 0.974 468 Q CA 1.704 57.740 55.803 0.388 0.000 0.840 468 Q CB -0.180 28.764 28.738 0.343 0.000 0.898 468 Q HN 0.640 nan 8.270 nan 0.000 0.430 469 H N -1.239 117.890 119.070 0.097 0.000 2.395 469 H HA 0.062 4.468 4.556 -0.251 0.000 0.299 469 H C 0.992 176.311 175.328 -0.014 0.000 1.070 469 H CA 0.915 56.989 56.048 0.043 0.000 1.356 469 H CB 0.446 30.224 29.762 0.027 0.000 1.401 469 H HN 0.299 nan 8.280 nan 0.000 0.524 470 N N -0.182 118.558 118.700 0.065 0.000 2.294 470 N HA 0.011 4.598 4.740 -0.255 0.000 0.186 470 N C -0.213 174.910 175.510 -0.646 0.000 1.107 470 N CA 0.386 53.248 53.050 -0.313 0.000 0.884 470 N CB 0.703 38.916 38.487 -0.458 0.000 1.030 470 N HN 0.185 nan 8.380 nan 0.000 0.482 471 F N 0.147 120.195 119.950 0.163 0.000 2.810 471 F HA 0.350 4.725 4.527 -0.254 0.000 0.353 471 F C 0.993 176.993 175.800 0.334 0.000 1.227 471 F CA -0.534 57.596 58.000 0.216 0.000 1.210 471 F CB 0.330 39.434 39.000 0.174 0.000 1.039 471 F HN -0.227 nan 8.300 nan 0.000 0.509 472 S N -0.480 115.361 115.700 0.235 0.000 2.481 472 S HA 0.289 4.606 4.470 -0.255 0.000 0.267 472 S C 1.716 176.019 174.600 -0.495 0.000 1.174 472 S CA -0.176 57.976 58.200 -0.080 0.000 1.027 472 S CB 0.605 63.758 63.200 -0.078 0.000 1.117 472 S HN -0.030 nan 8.310 nan 0.000 0.495 473 V N 0.356 119.696 119.914 -0.958 0.000 2.332 473 V HA -0.040 3.927 4.120 -0.255 0.000 0.248 473 V C 0.374 176.016 176.094 -0.754 0.000 1.055 473 V CA 1.527 63.278 62.300 -0.915 0.000 1.038 473 V CB -0.764 30.515 31.823 -0.907 0.000 0.651 473 V HN 0.575 nan 8.190 nan 0.000 0.450 474 F N -0.196 119.572 119.950 -0.303 0.000 2.444 474 F HA 0.638 4.987 4.527 -0.298 0.000 0.342 474 F C 0.475 176.082 175.800 -0.321 0.000 1.121 474 F CA -0.835 56.939 58.000 -0.378 0.000 0.997 474 F CB 1.074 39.872 39.000 -0.337 0.000 1.130 474 F HN -0.123 nan 8.300 nan 0.000 0.454 475 R N 1.822 122.198 120.500 -0.206 0.000 2.832 475 R HA 0.681 4.868 4.340 -0.255 0.000 0.271 475 R C -0.984 175.253 176.300 -0.105 0.000 0.996 475 R CA -1.093 54.925 56.100 -0.137 0.000 0.977 475 R CB 2.423 32.659 30.300 -0.107 0.000 1.168 475 R HN 0.747 nan 8.270 nan 0.000 0.482 476 E N -0.384 119.814 120.200 -0.002 0.000 2.343 476 E HA 0.271 4.468 4.350 -0.255 0.000 0.278 476 E C 0.044 176.679 176.600 0.058 0.000 0.910 476 E CA -0.978 55.472 56.400 0.084 0.000 0.757 476 E CB 1.761 31.575 29.700 0.189 0.000 1.218 476 E HN 0.568 nan 8.360 nan 0.000 0.435 477 G N 2.613 111.474 108.800 0.102 0.000 2.529 477 G HA2 -0.325 3.482 3.960 -0.255 0.000 0.219 477 G HA3 -0.325 3.482 3.960 -0.255 0.000 0.219 477 G C 0.783 175.733 174.900 0.083 0.000 1.177 477 G CA 1.459 46.633 45.100 0.124 0.000 0.773 477 G HN 0.604 nan 8.290 nan 0.000 0.573 478 D N 0.850 121.287 120.400 0.063 0.000 2.084 478 D HA -0.021 4.467 4.640 -0.255 0.000 0.194 478 D C 2.874 179.189 176.300 0.025 0.000 0.990 478 D CA 1.373 55.401 54.000 0.047 0.000 0.826 478 D CB -0.660 40.161 40.800 0.035 0.000 0.971 478 D HN 0.298 nan 8.370 nan 0.000 0.453 479 A N 0.683 123.504 122.820 0.002 0.000 1.908 479 A HA -0.191 3.976 4.320 -0.255 0.000 0.218 479 A C 2.296 179.806 177.584 -0.123 0.000 1.181 479 A CA 1.553 53.563 52.037 -0.044 0.000 0.627 479 A CB -0.589 18.381 19.000 -0.049 0.000 0.818 479 A HN 0.165 nan 8.150 nan 0.000 0.445 480 M N -0.710 118.791 119.600 -0.164 0.000 2.117 480 M HA -0.169 4.158 4.480 -0.255 0.000 0.262 480 M C 2.583 178.926 176.300 0.071 0.000 1.065 480 M CA 1.447 56.619 55.300 -0.214 0.000 1.114 480 M CB -0.509 32.063 32.600 -0.046 0.000 1.361 480 M HN 0.505 nan 8.290 nan 0.000 0.408 481 A N 0.628 123.501 122.820 0.087 0.000 1.908 481 A HA -0.210 3.957 4.320 -0.255 0.000 0.218 481 A C 2.095 179.743 177.584 0.105 0.000 1.181 481 A CA 1.961 54.066 52.037 0.114 0.000 0.627 481 A CB -0.536 18.523 19.000 0.099 0.000 0.818 481 A HN 0.431 nan 8.150 nan 0.000 0.445 482 K N -0.860 119.583 120.400 0.071 0.000 2.057 482 K HA -0.025 4.142 4.320 -0.255 0.000 0.206 482 K C 2.167 178.823 176.600 0.094 0.000 1.050 482 K CA 0.949 57.277 56.287 0.069 0.000 0.935 482 K CB -0.480 32.047 32.500 0.045 0.000 0.715 482 K HN 0.453 nan 8.250 nan 0.000 0.439 483 G N 1.729 110.586 108.800 0.095 0.000 2.476 483 G HA2 -0.282 3.526 3.960 -0.255 0.000 0.218 483 G HA3 -0.282 3.526 3.960 -0.255 0.000 0.218 483 G C 1.419 176.488 174.900 0.282 0.000 1.164 483 G CA 0.857 46.074 45.100 0.195 0.000 0.768 483 G HN 0.173 nan 8.290 nan 0.000 0.560 484 L N 0.590 121.994 121.223 0.302 0.000 2.042 484 L HA -0.032 4.155 4.340 -0.255 0.000 0.210 484 L C 2.627 179.601 176.870 0.173 0.000 1.076 484 L CA 2.058 57.023 54.840 0.207 0.000 0.749 484 L CB -0.509 41.649 42.059 0.164 0.000 0.893 484 L HN 0.118 nan 8.230 nan 0.000 0.432 485 E N -0.308 119.979 120.200 0.145 0.000 2.085 485 E HA -0.264 3.934 4.350 -0.255 0.000 0.194 485 E C 2.217 178.882 176.600 0.107 0.000 0.994 485 E CA 1.436 57.907 56.400 0.119 0.000 0.801 485 E CB -0.317 29.438 29.700 0.092 0.000 0.743 485 E HN 0.662 nan 8.360 nan 0.000 0.453 486 Q N 0.105 119.967 119.800 0.103 0.000 2.084 486 Q HA -0.083 4.104 4.340 -0.255 0.000 0.202 486 Q C 2.433 178.484 176.000 0.085 0.000 0.978 486 Q CA 0.982 56.833 55.803 0.080 0.000 0.844 486 Q CB -0.126 28.654 28.738 0.069 0.000 0.898 486 Q HN 0.244 nan 8.270 nan 0.000 0.426 487 L N 0.359 121.655 121.223 0.121 0.000 2.083 487 L HA -0.212 3.975 4.340 -0.255 0.000 0.209 487 L C 2.237 179.184 176.870 0.127 0.000 1.083 487 L CA 1.184 56.101 54.840 0.129 0.000 0.752 487 L CB -0.304 41.863 42.059 0.180 0.000 0.899 487 L HN 0.148 nan 8.230 nan 0.000 0.433 488 K N -0.402 120.094 120.400 0.160 0.000 2.063 488 K HA -0.162 4.005 4.320 -0.255 0.000 0.208 488 K C 2.031 178.648 176.600 0.029 0.000 1.048 488 K CA 1.326 57.668 56.287 0.092 0.000 0.928 488 K CB -0.255 32.322 32.500 0.128 0.000 0.713 488 K HN 0.108 nan 8.250 nan 0.000 0.442 489 V N 1.667 121.605 119.914 0.041 0.000 2.295 489 V HA -0.243 3.724 4.120 -0.255 0.000 0.246 489 V C 2.165 178.263 176.094 0.007 0.000 1.049 489 V CA 1.648 63.960 62.300 0.020 0.000 1.024 489 V CB -0.362 31.477 31.823 0.027 0.000 0.648 489 V HN 0.273 nan 8.190 nan 0.000 0.447 490 I N -0.418 120.161 120.570 0.015 0.000 2.226 490 I HA -0.229 3.788 4.170 -0.255 0.000 0.245 490 I C 2.737 178.849 176.117 -0.009 0.000 1.100 490 I CA 1.532 62.836 61.300 0.007 0.000 1.374 490 I CB -0.460 37.549 38.000 0.015 0.000 1.057 490 I HN 0.197 nan 8.210 nan 0.000 0.413 491 R N 0.831 121.317 120.500 -0.022 0.000 2.127 491 R HA -0.188 3.999 4.340 -0.255 0.000 0.238 491 R C 2.031 178.288 176.300 -0.071 0.000 1.134 491 R CA 1.338 57.401 56.100 -0.062 0.000 0.975 491 R CB 0.011 30.231 30.300 -0.133 0.000 0.865 491 R HN 0.332 nan 8.270 nan 0.000 0.447 492 E N 0.427 120.593 120.200 -0.057 0.000 2.046 492 E HA -0.133 4.064 4.350 -0.255 0.000 0.190 492 E C 2.071 178.638 176.600 -0.055 0.000 0.982 492 E CA 0.916 57.282 56.400 -0.057 0.000 0.800 492 E CB -0.166 29.511 29.700 -0.039 0.000 0.756 492 E HN 0.334 nan 8.360 nan 0.000 0.449 493 R N 0.504 120.982 120.500 -0.037 0.000 2.103 493 R HA -0.162 4.025 4.340 -0.255 0.000 0.242 493 R C 2.375 178.644 176.300 -0.053 0.000 1.142 493 R CA 1.067 57.146 56.100 -0.035 0.000 0.960 493 R CB -0.441 29.851 30.300 -0.013 0.000 0.858 493 R HN 0.070 nan 8.270 nan 0.000 0.439 494 L N 1.517 122.711 121.223 -0.048 0.000 2.191 494 L HA -0.139 4.049 4.340 -0.255 0.000 0.212 494 L C 1.346 178.113 176.870 -0.171 0.000 1.103 494 L CA 1.783 56.589 54.840 -0.057 0.000 0.769 494 L CB -0.157 41.899 42.059 -0.005 0.000 0.908 494 L HN -0.012 nan 8.230 nan 0.000 0.438 495 K N -0.864 119.441 120.400 -0.159 0.000 2.362 495 K HA -0.078 4.090 4.320 -0.255 0.000 0.200 495 K C 0.904 177.363 176.600 -0.235 0.000 1.046 495 K CA 0.899 57.063 56.287 -0.205 0.000 0.952 495 K CB -0.092 32.324 32.500 -0.142 0.000 0.753 495 K HN 0.237 nan 8.250 nan 0.000 0.466 496 N N 0.264 118.849 118.700 -0.192 0.000 2.282 496 N HA 0.129 4.716 4.740 -0.255 0.000 0.240 496 N C -1.203 174.209 175.510 -0.163 0.000 1.182 496 N CA -0.259 52.692 53.050 -0.165 0.000 0.874 496 N CB 0.627 39.056 38.487 -0.097 0.000 1.126 496 N HN 0.053 nan 8.380 nan 0.000 0.516 497 A N 0.845 123.517 122.820 -0.247 0.000 2.388 497 A HA 0.490 4.658 4.320 -0.255 0.000 0.257 497 A C 0.422 177.957 177.584 -0.082 0.000 1.095 497 A CA -0.560 51.404 52.037 -0.121 0.000 0.791 497 A CB 0.298 19.294 19.000 -0.007 0.000 1.029 497 A HN 0.526 nan 8.150 nan 0.000 0.489 498 R N 1.170 121.741 120.500 0.119 0.000 2.500 498 R HA 0.647 4.834 4.340 -0.255 0.000 0.277 498 R C -1.097 175.412 176.300 0.349 0.000 1.026 498 R CA -0.717 55.486 56.100 0.170 0.000 1.058 498 R CB 0.693 31.048 30.300 0.092 0.000 1.078 498 R HN 0.439 nan 8.270 nan 0.000 0.509 499 L N 2.701 124.111 121.223 0.311 0.000 2.262 499 L HA 0.264 4.451 4.340 -0.255 0.000 0.288 499 L C -0.268 176.658 176.870 0.093 0.000 1.035 499 L CA 0.022 54.985 54.840 0.205 0.000 0.820 499 L CB 1.302 43.492 42.059 0.218 0.000 1.204 499 L HN 0.737 nan 8.230 nan 0.000 0.424 500 D N 1.577 122.007 120.400 0.051 0.000 2.323 500 D HA 0.001 4.488 4.640 -0.255 0.000 0.209 500 D C -0.323 175.984 176.300 0.012 0.000 0.973 500 D CA 0.691 54.708 54.000 0.030 0.000 0.874 500 D CB 0.341 41.154 40.800 0.022 0.000 0.930 500 D HN 0.554 nan 8.370 nan 0.000 0.521 501 D N -0.706 119.692 120.400 -0.003 0.000 2.381 501 D HA 0.110 4.598 4.640 -0.255 0.000 0.235 501 D C 0.291 176.582 176.300 -0.013 0.000 1.068 501 D CA -0.172 53.820 54.000 -0.012 0.000 0.832 501 D CB 1.535 42.319 40.800 -0.027 0.000 1.101 501 D HN -0.257 nan 8.370 nan 0.000 0.515 502 T N 1.254 115.806 114.554 -0.004 0.000 3.054 502 T HA 0.121 4.319 4.350 -0.255 0.000 0.255 502 T C 0.607 175.303 174.700 -0.008 0.000 1.035 502 T CA 0.245 62.345 62.100 -0.000 0.000 0.941 502 T CB -0.170 68.705 68.868 0.012 0.000 1.026 502 T HN 0.449 nan 8.240 nan 0.000 0.533 503 S N 0.895 116.589 115.700 -0.011 0.000 2.572 503 S HA 0.142 4.460 4.470 -0.255 0.000 0.267 503 S C 1.412 176.000 174.600 -0.021 0.000 1.361 503 S CA 0.203 58.398 58.200 -0.009 0.000 1.009 503 S CB 1.017 64.215 63.200 -0.003 0.000 0.888 503 S HN 0.424 nan 8.310 nan 0.000 0.553 504 S N -1.023 114.668 115.700 -0.016 0.000 2.520 504 S HA 0.208 4.525 4.470 -0.255 0.000 0.219 504 S C 0.179 174.762 174.600 -0.030 0.000 1.028 504 S CA -0.176 58.007 58.200 -0.030 0.000 0.921 504 S CB -0.350 62.836 63.200 -0.022 0.000 0.844 504 S HN 0.782 nan 8.310 nan 0.000 0.495 505 E N 1.450 121.652 120.200 0.004 0.000 2.044 505 E HA 0.412 4.610 4.350 -0.255 0.000 0.282 505 E C -0.809 175.862 176.600 0.118 0.000 1.031 505 E CA -0.769 55.657 56.400 0.043 0.000 0.824 505 E CB -0.542 29.187 29.700 0.049 0.000 1.076 505 E HN 0.275 nan 8.360 nan 0.000 0.395 506 F N 3.499 123.414 119.950 -0.059 0.000 2.829 506 F HA -0.294 4.080 4.527 -0.255 0.000 0.237 506 F C -0.215 175.547 175.800 -0.062 0.000 1.017 506 F CA 0.459 58.423 58.000 -0.060 0.000 0.882 506 F CB -0.439 38.534 39.000 -0.044 0.000 0.795 506 F HN 0.466 nan 8.300 nan 0.000 0.848 507 N N 1.308 119.963 118.700 -0.075 0.000 2.482 507 N HA 0.112 4.700 4.740 -0.255 0.000 0.242 507 N C 1.194 176.614 175.510 -0.150 0.000 1.100 507 N CA 0.551 53.556 53.050 -0.074 0.000 0.946 507 N CB 0.862 39.293 38.487 -0.093 0.000 1.227 507 N HN 0.385 nan 8.380 nan 0.000 0.508 508 T N 0.604 115.112 114.554 -0.075 0.000 3.023 508 T HA -0.123 4.075 4.350 -0.255 0.000 0.266 508 T C 1.451 176.059 174.700 -0.153 0.000 1.093 508 T CA 0.712 62.746 62.100 -0.111 0.000 1.129 508 T CB 0.061 68.933 68.868 0.006 0.000 0.899 508 T HN 0.392 nan 8.240 nan 0.000 0.491 509 Q N 1.863 121.583 119.800 -0.133 0.000 2.084 509 Q HA -0.011 4.176 4.340 -0.255 0.000 0.202 509 Q C 2.468 178.306 176.000 -0.270 0.000 0.978 509 Q CA 1.561 57.265 55.803 -0.165 0.000 0.844 509 Q CB -0.411 28.259 28.738 -0.113 0.000 0.898 509 Q HN 0.614 nan 8.270 nan 0.000 0.426 510 R N -0.724 119.615 120.500 -0.269 0.000 2.091 510 R HA -0.138 4.049 4.340 -0.255 0.000 0.238 510 R C 1.902 177.904 176.300 -0.496 0.000 1.136 510 R CA 1.689 57.571 56.100 -0.364 0.000 0.959 510 R CB -0.256 29.888 30.300 -0.259 0.000 0.856 510 R HN 0.273 nan 8.270 nan 0.000 0.437 511 V N 1.178 120.820 119.914 -0.453 0.000 2.358 511 V HA -0.190 3.777 4.120 -0.255 0.000 0.246 511 V C 1.977 177.771 176.094 -0.500 0.000 1.047 511 V CA 2.023 63.963 62.300 -0.600 0.000 1.035 511 V CB -0.443 31.106 31.823 -0.456 0.000 0.658 511 V HN 0.419 nan 8.190 nan 0.000 0.452 512 E N -0.833 119.158 120.200 -0.348 0.000 2.153 512 E HA -0.204 3.994 4.350 -0.255 0.000 0.194 512 E C 2.237 178.625 176.600 -0.353 0.000 0.988 512 E CA 1.556 57.798 56.400 -0.263 0.000 0.811 512 E CB -0.276 29.320 29.700 -0.174 0.000 0.746 512 E HN 0.601 nan 8.360 nan 0.000 0.466 513 C N 0.439 119.385 119.300 -0.589 0.000 2.476 513 C HA -0.058 4.250 4.460 -0.255 0.000 0.278 513 C C 2.540 176.967 174.990 -0.938 0.000 1.274 513 C CA 0.316 58.722 59.018 -1.020 0.000 1.713 513 C CB -0.807 25.837 27.740 -1.827 0.000 2.039 513 C HN 0.393 nan 8.230 nan 0.000 0.484 514 L N 0.741 121.475 121.223 -0.816 0.000 2.079 514 L HA -0.186 4.002 4.340 -0.255 0.000 0.210 514 L C 2.532 179.354 176.870 -0.080 0.000 1.081 514 L CA 1.607 56.225 54.840 -0.369 0.000 0.752 514 L CB -0.709 41.105 42.059 -0.409 0.000 0.896 514 L HN 0.451 nan 8.230 nan 0.000 0.433 515 E N -0.168 119.955 120.200 -0.129 0.000 2.106 515 E HA -0.236 3.961 4.350 -0.255 0.000 0.192 515 E C 2.098 178.721 176.600 0.039 0.000 0.984 515 E CA 0.804 57.229 56.400 0.043 0.000 0.806 515 E CB -0.166 29.554 29.700 0.034 0.000 0.750 515 E HN 0.237 nan 8.360 nan 0.000 0.458 516 L N 1.794 123.012 121.223 -0.008 0.000 2.127 516 L HA -0.209 3.979 4.340 -0.255 0.000 0.211 516 L C 1.402 178.347 176.870 0.125 0.000 1.089 516 L CA 1.840 56.714 54.840 0.056 0.000 0.757 516 L CB -0.357 41.742 42.059 0.068 0.000 0.899 516 L HN 0.004 nan 8.230 nan 0.000 0.434 517 D N -0.533 119.980 120.400 0.188 0.000 2.117 517 D HA -0.154 4.333 4.640 -0.255 0.000 0.197 517 D C 1.800 178.172 176.300 0.121 0.000 0.987 517 D CA 1.135 55.252 54.000 0.194 0.000 0.829 517 D CB -0.186 40.771 40.800 0.262 0.000 0.961 517 D HN 0.437 nan 8.370 nan 0.000 0.460 518 N N 0.463 119.232 118.700 0.116 0.000 2.270 518 N HA -0.034 4.553 4.740 -0.255 0.000 0.181 518 N C 2.137 177.684 175.510 0.063 0.000 1.016 518 N CA 0.200 53.303 53.050 0.089 0.000 0.870 518 N CB -0.175 38.370 38.487 0.097 0.000 0.979 518 N HN 0.254 nan 8.380 nan 0.000 0.431 519 L N 0.166 121.420 121.223 0.053 0.000 2.046 519 L HA -0.129 4.058 4.340 -0.255 0.000 0.208 519 L C 2.411 179.287 176.870 0.010 0.000 1.077 519 L CA 0.962 55.814 54.840 0.021 0.000 0.747 519 L CB -0.294 41.770 42.059 0.007 0.000 0.896 519 L HN 0.116 nan 8.230 nan 0.000 0.432 520 M N -0.139 119.479 119.600 0.031 0.000 2.086 520 M HA -0.192 4.135 4.480 -0.255 0.000 0.261 520 M C 2.182 178.504 176.300 0.037 0.000 1.067 520 M CA 1.772 57.087 55.300 0.025 0.000 1.116 520 M CB -0.338 32.279 32.600 0.028 0.000 1.348 520 M HN 0.064 nan 8.290 nan 0.000 0.407 521 E N -0.671 119.556 120.200 0.044 0.000 2.077 521 E HA -0.152 4.046 4.350 -0.255 0.000 0.193 521 E C 2.049 178.671 176.600 0.036 0.000 0.989 521 E CA 2.009 58.445 56.400 0.059 0.000 0.800 521 E CB -0.890 28.850 29.700 0.067 0.000 0.746 521 E HN 0.559 nan 8.360 nan 0.000 0.452 522 T N 1.457 116.027 114.554 0.027 0.000 2.746 522 T HA -0.110 4.088 4.350 -0.255 0.000 0.267 522 T C 1.995 176.681 174.700 -0.022 0.000 1.039 522 T CA 1.549 63.663 62.100 0.023 0.000 1.142 522 T CB -0.230 68.684 68.868 0.077 0.000 0.866 522 T HN 0.282 nan 8.240 nan 0.000 0.444 523 A N 0.475 123.259 122.820 -0.060 0.000 1.877 523 A HA -0.083 4.084 4.320 -0.255 0.000 0.216 523 A C 2.113 179.586 177.584 -0.184 0.000 1.186 523 A CA 1.459 53.398 52.037 -0.164 0.000 0.620 523 A CB -1.051 17.854 19.000 -0.158 0.000 0.822 523 A HN 0.543 nan 8.150 nan 0.000 0.443 524 Y N 0.598 120.772 120.300 -0.210 0.000 2.145 524 Y HA -0.125 4.273 4.550 -0.254 0.000 0.286 524 Y C 2.737 178.417 175.900 -0.366 0.000 1.145 524 Y CA 1.375 59.340 58.100 -0.226 0.000 1.148 524 Y CB -0.601 37.778 38.460 -0.135 0.000 0.981 524 Y HN 0.313 nan 8.280 nan 0.000 0.507 525 A N -0.892 121.670 122.820 -0.431 0.000 1.908 525 A HA -0.223 3.944 4.320 -0.255 0.000 0.218 525 A C 2.260 179.541 177.584 -0.506 0.000 1.181 525 A CA 2.395 53.935 52.037 -0.828 0.000 0.627 525 A CB -1.410 17.184 19.000 -0.676 0.000 0.818 525 A HN 0.509 nan 8.150 nan 0.000 0.445 526 T N 0.173 114.551 114.554 -0.293 0.000 2.684 526 T HA -0.085 4.113 4.350 -0.255 0.000 0.267 526 T C 2.210 176.695 174.700 -0.358 0.000 1.036 526 T CA 1.859 63.859 62.100 -0.167 0.000 1.148 526 T CB -0.462 68.405 68.868 -0.002 0.000 0.863 526 T HN 0.624 nan 8.240 nan 0.000 0.436 527 A N 0.763 123.194 122.820 -0.649 0.000 1.898 527 A HA -0.021 4.146 4.320 -0.255 0.000 0.216 527 A C 2.582 179.968 177.584 -0.330 0.000 1.181 527 A CA 1.290 52.805 52.037 -0.871 0.000 0.620 527 A CB -0.942 17.510 19.000 -0.913 0.000 0.819 527 A HN 0.357 nan 8.150 nan 0.000 0.442 528 V N 0.091 119.761 119.914 -0.407 0.000 2.343 528 V HA -0.231 3.736 4.120 -0.255 0.000 0.247 528 V C 2.766 178.835 176.094 -0.041 0.000 1.051 528 V CA 2.370 64.535 62.300 -0.226 0.000 1.036 528 V CB -0.836 30.810 31.823 -0.295 0.000 0.654 528 V HN 0.555 nan 8.190 nan 0.000 0.451 529 S N 0.206 115.857 115.700 -0.082 0.000 2.368 529 S HA -0.091 4.226 4.470 -0.255 0.000 0.224 529 S C 2.207 176.849 174.600 0.069 0.000 1.029 529 S CA 1.288 59.512 58.200 0.040 0.000 0.988 529 S CB -0.427 62.767 63.200 -0.010 0.000 0.838 529 S HN 0.647 nan 8.310 nan 0.000 0.462 530 A N 2.405 125.260 122.820 0.059 0.000 1.930 530 A HA -0.083 4.084 4.320 -0.255 0.000 0.217 530 A C 1.959 179.694 177.584 0.251 0.000 1.175 530 A CA 1.134 53.271 52.037 0.167 0.000 0.627 530 A CB -0.574 18.688 19.000 0.436 0.000 0.815 530 A HN 0.443 nan 8.150 nan 0.000 0.443 531 N N -1.195 117.658 118.700 0.255 0.000 2.188 531 N HA -0.138 4.450 4.740 -0.255 0.000 0.184 531 N C 1.536 177.156 175.510 0.185 0.000 1.018 531 N CA 1.543 54.733 53.050 0.232 0.000 0.858 531 N CB -0.314 38.304 38.487 0.218 0.000 0.989 531 N HN 0.535 nan 8.380 nan 0.000 0.426 532 F N 1.999 121.956 119.950 0.012 0.000 2.146 532 F HA -0.000 4.374 4.527 -0.254 0.000 0.298 532 F C 1.257 176.948 175.800 -0.181 0.000 1.096 532 F CA 0.780 58.788 58.000 0.013 0.000 1.275 532 F CB -0.125 38.918 39.000 0.072 0.000 1.008 532 F HN -0.220 nan 8.300 nan 0.000 0.480 533 R N 1.571 121.797 120.500 -0.456 0.000 2.351 533 R HA 0.091 4.278 4.340 -0.255 0.000 0.321 533 R C -0.445 175.292 176.300 -0.938 0.000 1.182 533 R CA 0.427 55.821 56.100 -1.177 0.000 1.011 533 R CB -0.416 29.351 30.300 -0.888 0.000 1.048 533 R HN 0.261 nan 8.270 nan 0.000 0.490 534 T N 1.753 115.528 114.554 -1.299 0.000 3.766 534 T HA 0.218 4.415 4.350 -0.255 0.000 0.327 534 T C -0.275 173.861 174.700 -0.939 0.000 1.595 534 T CA -0.550 60.893 62.100 -1.095 0.000 1.204 534 T CB -0.276 67.785 68.868 -1.344 0.000 1.245 534 T HN 0.772 nan 8.240 nan 0.000 0.875 535 E N -0.317 119.573 120.200 -0.517 0.000 2.435 535 E HA 0.560 4.758 4.350 -0.255 0.000 0.277 535 E C -1.626 174.946 176.600 -0.047 0.000 1.106 535 E CA -1.227 55.066 56.400 -0.179 0.000 0.868 535 E CB 0.466 30.020 29.700 -0.242 0.000 1.454 535 E HN 0.080 nan 8.360 nan 0.000 0.452 536 S N -0.067 115.644 115.700 0.017 0.000 2.473 536 S HA 0.684 5.002 4.470 -0.255 0.000 0.307 536 S C -0.945 173.696 174.600 0.068 0.000 1.094 536 S CA -0.763 57.440 58.200 0.005 0.000 1.070 536 S CB 1.122 64.317 63.200 -0.008 0.000 1.019 536 S HN 0.489 nan 8.310 nan 0.000 0.480 537 R N 1.448 122.011 120.500 0.104 0.000 2.535 537 R HA 0.526 4.713 4.340 -0.255 0.000 0.274 537 R C 0.766 177.140 176.300 0.124 0.000 1.090 537 R CA 0.216 56.386 56.100 0.117 0.000 0.930 537 R CB 0.912 31.284 30.300 0.120 0.000 1.223 537 R HN 0.883 nan 8.270 nan 0.000 0.441 538 G N 2.365 111.232 108.800 0.110 0.000 2.684 538 G HA2 -0.479 3.328 3.960 -0.255 0.000 0.342 538 G HA3 -0.479 3.328 3.960 -0.255 0.000 0.342 538 G C 0.855 175.814 174.900 0.098 0.000 1.316 538 G CA 0.991 46.154 45.100 0.105 0.000 0.994 538 G HN 0.896 nan 8.290 nan 0.000 0.541 539 A N -0.690 122.205 122.820 0.126 0.000 2.121 539 A HA 0.239 4.406 4.320 -0.255 0.000 0.218 539 A C 1.241 178.921 177.584 0.160 0.000 1.154 539 A CA 1.966 54.089 52.037 0.143 0.000 0.679 539 A CB -0.333 18.793 19.000 0.210 0.000 0.795 539 A HN 1.261 nan 8.150 nan 0.000 0.458 540 H N 0.220 119.326 119.070 0.061 0.000 2.652 540 H HA 0.566 4.971 4.556 -0.251 0.000 0.298 540 H C -0.608 174.714 175.328 -0.010 0.000 1.076 540 H CA 0.167 56.242 56.048 0.045 0.000 1.360 540 H CB 0.550 30.335 29.762 0.038 0.000 1.421 540 H HN 0.055 nan 8.280 nan 0.000 0.464 541 S N 5.623 121.088 115.700 -0.391 0.000 2.733 541 S HA 0.511 4.828 4.470 -0.255 0.000 0.294 541 S C -1.079 173.285 174.600 -0.393 0.000 1.149 541 S CA -0.869 57.138 58.200 -0.323 0.000 1.034 541 S CB 0.345 63.400 63.200 -0.242 0.000 1.015 541 S HN 0.782 nan 8.310 nan 0.000 0.486 542 R N 3.350 123.649 120.500 -0.335 0.000 2.480 542 R HA 0.400 4.588 4.340 -0.255 0.000 0.306 542 R C -0.053 176.146 176.300 -0.168 0.000 0.958 542 R CA -0.622 55.324 56.100 -0.256 0.000 0.861 542 R CB 0.841 31.084 30.300 -0.095 0.000 1.171 542 R HN 0.588 nan 8.270 nan 0.000 0.445 543 F N 1.465 121.418 119.950 0.004 0.000 2.171 543 F HA -0.204 4.159 4.527 -0.273 0.000 0.300 543 F C 2.140 177.888 175.800 -0.087 0.000 1.090 543 F CA 1.506 59.479 58.000 -0.046 0.000 1.293 543 F CB -0.126 38.826 39.000 -0.080 0.000 1.013 543 F HN 0.588 nan 8.300 nan 0.000 0.486 544 D N -1.180 119.257 120.400 0.062 0.000 2.317 544 D HA -0.156 4.332 4.640 -0.255 0.000 0.211 544 D C 0.162 176.131 176.300 -0.551 0.000 0.966 544 D CA 0.747 54.618 54.000 -0.215 0.000 0.876 544 D CB -0.675 40.001 40.800 -0.207 0.000 0.927 544 D HN 0.263 nan 8.370 nan 0.000 0.519 545 F N 0.453 120.410 119.950 0.012 0.000 2.710 545 F HA 0.302 4.675 4.527 -0.256 0.000 0.345 545 F C -1.843 173.949 175.800 -0.013 0.000 1.362 545 F CA -1.916 56.084 58.000 0.001 0.000 1.175 545 F CB 2.006 40.991 39.000 -0.024 0.000 1.561 545 F HN -0.208 nan 8.300 nan 0.000 0.593 546 P HA -0.029 nan 4.420 nan 0.000 0.233 546 P C -0.301 177.054 177.300 0.091 0.000 1.167 546 P CA 0.887 64.038 63.100 0.084 0.000 0.770 546 P CB 0.470 32.220 31.700 0.084 0.000 0.837 547 D N 0.315 120.784 120.400 0.115 0.000 2.229 547 D HA 0.198 4.685 4.640 -0.255 0.000 0.249 547 D C 0.213 176.580 176.300 0.111 0.000 1.027 547 D CA -0.546 53.518 54.000 0.107 0.000 0.923 547 D CB 1.511 42.376 40.800 0.107 0.000 1.174 547 D HN -0.115 nan 8.370 nan 0.000 0.443 548 R N 0.950 121.511 120.500 0.101 0.000 2.438 548 R HA 0.084 4.272 4.340 -0.255 0.000 0.287 548 R C -0.711 175.662 176.300 0.122 0.000 1.077 548 R CA -0.128 56.036 56.100 0.108 0.000 1.034 548 R CB 0.471 30.834 30.300 0.104 0.000 0.993 548 R HN 0.265 nan 8.270 nan 0.000 0.459 549 D N 3.085 123.580 120.400 0.159 0.000 2.432 549 D HA 0.108 4.595 4.640 -0.255 0.000 0.265 549 D C -0.372 176.032 176.300 0.174 0.000 1.160 549 D CA -0.451 53.661 54.000 0.187 0.000 0.911 549 D CB 0.937 41.913 40.800 0.294 0.000 1.052 549 D HN 0.444 nan 8.370 nan 0.000 0.508 550 D N 1.689 122.150 120.400 0.102 0.000 2.264 550 D HA -0.103 4.384 4.640 -0.255 0.000 0.208 550 D C 1.439 177.759 176.300 0.033 0.000 0.966 550 D CA 0.721 54.761 54.000 0.067 0.000 0.864 550 D CB 0.452 41.266 40.800 0.025 0.000 0.933 550 D HN 0.604 nan 8.370 nan 0.000 0.499 551 E N 0.128 120.341 120.200 0.022 0.000 2.072 551 E HA -0.065 4.132 4.350 -0.255 0.000 0.191 551 E C 1.464 178.013 176.600 -0.085 0.000 0.985 551 E CA 0.624 57.011 56.400 -0.022 0.000 0.801 551 E CB 0.142 29.834 29.700 -0.014 0.000 0.750 551 E HN 0.268 nan 8.360 nan 0.000 0.452 552 N N -1.243 117.383 118.700 -0.124 0.000 2.388 552 N HA -0.023 4.565 4.740 -0.255 0.000 0.176 552 N C 0.564 175.714 175.510 -0.600 0.000 1.062 552 N CA 0.545 53.345 53.050 -0.418 0.000 0.895 552 N CB 0.268 38.417 38.487 -0.562 0.000 1.018 552 N HN 0.224 nan 8.380 nan 0.000 0.456 553 W N 0.515 121.786 121.300 -0.049 0.000 2.499 553 W HA 0.365 4.875 4.660 -0.251 0.000 0.362 553 W C -0.057 176.442 176.519 -0.033 0.000 0.945 553 W CA -0.581 56.731 57.345 -0.055 0.000 1.721 553 W CB 0.299 29.718 29.460 -0.068 0.000 1.156 553 W HN -0.163 nan 8.180 nan 0.000 0.547 554 L N 3.578 124.875 121.223 0.124 0.000 2.376 554 L HA 0.315 4.502 4.340 -0.255 0.000 0.250 554 L C 0.202 177.084 176.870 0.020 0.000 1.335 554 L CA -0.124 54.761 54.840 0.075 0.000 1.214 554 L CB -1.245 40.842 42.059 0.045 0.000 1.395 554 L HN 0.165 nan 8.230 nan 0.000 0.424 555 C N -0.327 118.986 119.300 0.022 0.000 3.259 555 C HA 0.466 4.773 4.460 -0.255 0.000 0.344 555 C C -0.418 174.540 174.990 -0.054 0.000 1.401 555 C CA -1.152 57.842 59.018 -0.041 0.000 1.219 555 C CB 1.287 29.045 27.740 0.029 0.000 1.521 555 C HN 0.502 nan 8.230 nan 0.000 0.455 556 H N 1.211 120.359 119.070 0.131 0.000 2.482 556 H HA 0.617 5.020 4.556 -0.255 0.000 0.344 556 H C 0.427 175.871 175.328 0.193 0.000 1.151 556 H CA 0.762 56.887 56.048 0.129 0.000 1.300 556 H CB 1.903 31.709 29.762 0.074 0.000 1.494 556 H HN 0.952 nan 8.280 nan 0.000 0.542 557 S N 2.262 118.163 115.700 0.336 0.000 2.541 557 S HA 0.455 4.773 4.470 -0.255 0.000 0.283 557 S C -0.420 174.307 174.600 0.212 0.000 1.196 557 S CA -0.841 57.575 58.200 0.361 0.000 1.062 557 S CB 1.217 64.643 63.200 0.377 0.000 1.009 557 S HN 0.361 nan 8.310 nan 0.000 0.502 558 L N 3.088 124.396 121.223 0.142 0.000 2.381 558 L HA 0.506 4.693 4.340 -0.255 0.000 0.274 558 L C -1.466 175.418 176.870 0.023 0.000 0.988 558 L CA -0.758 54.120 54.840 0.065 0.000 0.824 558 L CB 1.752 43.831 42.059 0.033 0.000 1.263 558 L HN 0.865 nan 8.230 nan 0.000 0.410 559 Y N 5.577 125.832 120.300 -0.076 0.000 2.341 559 Y HA 0.573 4.971 4.550 -0.253 0.000 0.340 559 Y C -1.052 174.808 175.900 -0.067 0.000 0.997 559 Y CA -0.650 57.393 58.100 -0.094 0.000 1.149 559 Y CB 0.768 39.187 38.460 -0.069 0.000 1.171 559 Y HN 0.498 nan 8.280 nan 0.000 0.494 560 L N 10.046 130.929 121.223 -0.567 0.000 2.259 560 L HA 0.316 4.504 4.340 -0.255 0.000 0.288 560 L C -1.583 174.901 176.870 -0.642 0.000 1.051 560 L CA -1.766 52.802 54.840 -0.455 0.000 0.824 560 L CB 1.179 43.071 42.059 -0.278 0.000 1.206 560 L HN 0.577 nan 8.230 nan 0.000 0.429 561 P HA -0.094 nan 4.420 nan 0.000 0.222 561 P C 0.891 178.082 177.300 -0.181 0.000 1.153 561 P CA 1.020 63.924 63.100 -0.327 0.000 0.798 561 P CB 0.466 32.126 31.700 -0.067 0.000 0.796 562 E N 0.197 120.307 120.200 -0.150 0.000 2.107 562 E HA -0.072 4.125 4.350 -0.255 0.000 0.191 562 E C 1.765 178.310 176.600 -0.091 0.000 0.982 562 E CA 1.561 57.905 56.400 -0.094 0.000 0.809 562 E CB -0.239 29.416 29.700 -0.075 0.000 0.756 562 E HN 0.335 nan 8.360 nan 0.000 0.459 563 S N -0.106 115.518 115.700 -0.128 0.000 2.540 563 S HA 0.092 4.409 4.470 -0.255 0.000 0.218 563 S C 0.200 174.744 174.600 -0.093 0.000 0.977 563 S CA -0.241 57.902 58.200 -0.094 0.000 0.918 563 S CB 0.091 63.237 63.200 -0.091 0.000 0.806 563 S HN 0.159 nan 8.310 nan 0.000 0.496 564 E N 1.513 121.614 120.200 -0.166 0.000 2.328 564 E HA -0.187 4.011 4.350 -0.255 0.000 0.233 564 E C -0.157 176.404 176.600 -0.065 0.000 1.219 564 E CA 0.626 56.966 56.400 -0.099 0.000 0.717 564 E CB -1.921 27.894 29.700 0.192 0.000 1.210 564 E HN 0.827 nan 8.360 nan 0.000 0.381 565 S N -1.321 114.241 115.700 -0.230 0.000 2.704 565 S HA 0.806 5.123 4.470 -0.255 0.000 0.296 565 S C -0.243 174.206 174.600 -0.251 0.000 1.138 565 S CA -1.245 56.863 58.200 -0.153 0.000 0.875 565 S CB 2.078 65.212 63.200 -0.110 0.000 1.151 565 S HN 0.070 nan 8.310 nan 0.000 0.500 566 M N 1.417 120.810 119.600 -0.346 0.000 2.578 566 M HA 0.687 5.015 4.480 -0.255 0.000 0.321 566 M C 0.007 176.010 176.300 -0.495 0.000 1.182 566 M CA -0.249 54.681 55.300 -0.616 0.000 0.965 566 M CB 1.511 33.203 32.600 -1.513 0.000 1.694 566 M HN 1.032 nan 8.290 nan 0.000 0.461 567 T N 1.036 115.402 114.554 -0.315 0.000 2.681 567 T HA 0.686 4.883 4.350 -0.255 0.000 0.296 567 T C -1.275 173.500 174.700 0.126 0.000 1.157 567 T CA -0.684 61.384 62.100 -0.053 0.000 1.025 567 T CB 1.960 70.805 68.868 -0.039 0.000 1.441 567 T HN 0.702 nan 8.240 nan 0.000 0.504 568 R N 0.778 121.373 120.500 0.158 0.000 2.711 568 R HA 0.698 4.886 4.340 -0.255 0.000 0.284 568 R C -0.615 175.755 176.300 0.116 0.000 0.968 568 R CA -0.918 55.294 56.100 0.186 0.000 0.924 568 R CB 1.899 32.272 30.300 0.121 0.000 1.162 568 R HN 0.416 nan 8.270 nan 0.000 0.465 569 R N 0.446 121.038 120.500 0.152 0.000 2.621 569 R HA 0.322 4.509 4.340 -0.255 0.000 0.292 569 R C -0.638 175.757 176.300 0.158 0.000 0.969 569 R CA -0.534 55.648 56.100 0.137 0.000 0.887 569 R CB 2.330 32.717 30.300 0.145 0.000 1.180 569 R HN 0.604 nan 8.270 nan 0.000 0.450 570 S N 1.237 117.000 115.700 0.106 0.000 2.558 570 S HA -0.001 4.316 4.470 -0.255 0.000 0.291 570 S C 0.079 174.771 174.600 0.152 0.000 1.306 570 S CA -0.250 58.002 58.200 0.088 0.000 1.056 570 S CB 0.599 63.833 63.200 0.057 0.000 0.836 570 S HN 0.246 nan 8.310 nan 0.000 0.504 571 V N 4.798 124.743 119.914 0.052 0.000 2.546 571 V HA 0.170 4.138 4.120 -0.255 0.000 0.284 571 V C 0.758 176.905 176.094 0.087 0.000 1.050 571 V CA -0.814 61.512 62.300 0.044 0.000 0.981 571 V CB 1.202 32.975 31.823 -0.083 0.000 0.990 571 V HN 0.818 nan 8.190 nan 0.000 0.474 572 N N 5.412 124.184 118.700 0.120 0.000 2.470 572 N HA 0.221 4.809 4.740 -0.255 0.000 0.268 572 N C -0.302 175.265 175.510 0.095 0.000 1.136 572 N CA 0.016 53.120 53.050 0.090 0.000 0.961 572 N CB 0.842 39.378 38.487 0.082 0.000 1.067 572 N HN 0.646 nan 8.380 nan 0.000 0.468 573 M N 2.955 122.603 119.600 0.080 0.000 3.114 573 M HA 0.200 4.527 4.480 -0.255 0.000 0.386 573 M C -0.869 175.472 176.300 0.069 0.000 1.417 573 M CA -0.061 55.292 55.300 0.089 0.000 0.785 573 M CB 0.392 33.042 32.600 0.083 0.000 1.413 573 M HN 0.384 nan 8.290 nan 0.000 0.498 574 E N 2.047 122.289 120.200 0.069 0.000 3.132 574 E HA 0.283 4.480 4.350 -0.255 0.000 0.241 574 E C -2.504 174.137 176.600 0.068 0.000 1.196 574 E CA -1.579 54.853 56.400 0.054 0.000 0.869 574 E CB 1.559 31.283 29.700 0.040 0.000 1.387 574 E HN 0.136 nan 8.360 nan 0.000 0.393 575 P HA 0.021 nan 4.420 nan 0.000 0.270 575 P C 0.421 177.777 177.300 0.093 0.000 1.223 575 P CA -0.311 62.857 63.100 0.114 0.000 0.785 575 P CB 1.125 32.909 31.700 0.141 0.000 0.923 576 K N 1.005 121.471 120.400 0.110 0.000 2.284 576 K HA 0.173 4.340 4.320 -0.255 0.000 0.198 576 K C 1.508 178.171 176.600 0.105 0.000 1.048 576 K CA 0.897 57.237 56.287 0.089 0.000 0.987 576 K CB -0.081 32.467 32.500 0.079 0.000 0.800 576 K HN 0.412 nan 8.250 nan 0.000 0.486 577 L N 0.640 121.961 121.223 0.163 0.000 2.664 577 L HA 0.176 4.363 4.340 -0.255 0.000 0.233 577 L C 0.647 177.635 176.870 0.196 0.000 1.113 577 L CA -0.176 54.788 54.840 0.207 0.000 0.896 577 L CB 0.239 42.487 42.059 0.316 0.000 1.163 577 L HN 0.080 nan 8.230 nan 0.000 0.497 578 R N -1.543 119.040 120.500 0.139 0.000 2.741 578 R HA 0.557 4.745 4.340 -0.255 0.000 0.274 578 R C -3.139 173.136 176.300 -0.041 0.000 1.029 578 R CA -1.504 54.615 56.100 0.033 0.000 0.880 578 R CB 0.285 30.587 30.300 0.004 0.000 1.264 578 R HN -0.360 nan 8.270 nan 0.000 0.465 579 P HA 0.234 nan 4.420 nan 0.000 0.277 579 P C -0.667 176.473 177.300 -0.267 0.000 1.240 579 P CA -0.444 62.561 63.100 -0.159 0.000 0.798 579 P CB 0.945 32.545 31.700 -0.168 0.000 0.979 580 A N 1.747 124.474 122.820 -0.154 0.000 2.547 580 A HA 0.166 4.334 4.320 -0.255 0.000 0.233 580 A C -0.403 177.049 177.584 -0.220 0.000 1.067 580 A CA 0.278 52.249 52.037 -0.111 0.000 0.763 580 A CB -0.747 18.255 19.000 0.003 0.000 1.007 580 A HN 0.398 nan 8.150 nan 0.000 0.506 581 F N 2.876 122.909 119.950 0.137 0.000 2.404 581 F HA 0.351 4.726 4.527 -0.252 0.000 0.358 581 F C -1.518 174.372 175.800 0.150 0.000 1.120 581 F CA -1.998 56.105 58.000 0.172 0.000 1.144 581 F CB 0.998 40.156 39.000 0.263 0.000 1.133 581 F HN 0.358 nan 8.300 nan 0.000 0.495 582 P HA 0.161 nan 4.420 nan 0.000 0.271 582 P C -2.685 174.536 177.300 -0.130 0.000 1.218 582 P CA -1.505 61.623 63.100 0.047 0.000 0.780 582 P CB 0.169 31.873 31.700 0.007 0.000 0.901 583 P HA 0.096 nan 4.420 nan 0.000 0.265 583 P C -0.104 176.812 177.300 -0.640 0.000 1.193 583 P CA 0.512 63.081 63.100 -0.885 0.000 0.765 583 P CB 0.248 31.694 31.700 -0.422 0.000 0.823 584 K N 1.794 121.709 120.400 -0.808 0.000 2.499 584 K HA 0.536 4.703 4.320 -0.255 0.000 0.277 584 K C -0.739 175.776 176.600 -0.142 0.000 1.025 584 K CA -1.069 55.046 56.287 -0.287 0.000 0.900 584 K CB 0.991 33.421 32.500 -0.116 0.000 1.494 584 K HN 0.097 nan 8.250 nan 0.000 0.442 585 I N 1.399 121.944 120.570 -0.043 0.000 2.692 585 I HA 0.071 4.088 4.170 -0.255 0.000 0.284 585 I C 0.437 176.575 176.117 0.035 0.000 1.159 585 I CA -0.074 61.231 61.300 0.009 0.000 1.423 585 I CB 0.479 38.486 38.000 0.012 0.000 1.380 585 I HN 0.493 nan 8.210 nan 0.000 0.580 586 R N 5.084 125.614 120.500 0.049 0.000 2.275 586 R HA 0.405 4.593 4.340 -0.255 0.000 0.326 586 R C -0.976 175.275 176.300 -0.081 0.000 0.973 586 R CA -0.329 55.768 56.100 -0.006 0.000 0.854 586 R CB 0.883 31.222 30.300 0.064 0.000 1.156 586 R HN 0.830 nan 8.270 nan 0.000 0.487 587 T N 0.284 114.739 114.554 -0.164 0.000 2.906 587 T HA 0.462 4.659 4.350 -0.255 0.000 0.295 587 T C -0.820 173.716 174.700 -0.274 0.000 1.061 587 T CA -0.602 61.427 62.100 -0.119 0.000 1.000 587 T CB 1.331 70.197 68.868 -0.004 0.000 1.103 587 T HN 0.332 nan 8.240 nan 0.000 0.486 588 Y N 0.000 120.339 120.300 0.065 0.000 2.660 588 Y HA 0.000 4.396 4.550 -0.257 0.000 0.201 588 Y CA 0.000 58.133 58.100 0.054 0.000 1.940 588 Y CB 0.000 38.487 38.460 0.045 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758