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 3ciz_1_A DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQP DATA SEQUENCE EXXGRKPARL IVFPDLGVRV CEKMALYDVV STLPQVVMGS SYGFQYSPGQ DATA SEQUENCE RVEFLVNTWK SKKNPMGFSY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIKSLTER LYIGGPLTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE SAACRAAKLQ DCTMLVNGDD LVVICESAGT QEDAASLRVF TEAMTRYSAP DATA SEQUENCE PGDPPQPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT TPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIERLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA RLLSQGGRAA TCGKYLFNWA VKTKLKLTPI PAASRLDLSG DATA SEQUENCE WFVAGYSGGD IYHS 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.172 175.328 -0.261 0.000 0.993 0 H CA 0.000 56.006 56.048 -0.070 0.000 1.023 0 H CB 0.000 29.748 29.762 -0.023 0.000 1.292 1 H N 3.371 122.429 119.070 -0.020 0.000 2.317 1 H HA 0.240 4.795 4.556 -0.001 0.000 0.231 1 H C -0.200 175.091 175.328 -0.061 0.000 1.442 1 H CA -0.604 55.419 56.048 -0.041 0.000 1.336 1 H CB 0.214 29.957 29.762 -0.033 0.000 1.533 1 H HN 0.492 nan 8.280 nan 0.000 0.522 2 M N 1.545 121.132 119.600 -0.023 0.000 2.200 2 M HA 0.018 4.498 4.480 -0.001 0.000 0.355 2 M C 1.818 178.017 176.300 -0.168 0.000 1.283 2 M CA 0.051 55.313 55.300 -0.063 0.000 1.124 2 M CB 1.077 33.649 32.600 -0.048 0.000 1.625 2 M HN 0.392 nan 8.290 nan 0.000 0.463 3 S N 3.065 118.595 115.700 -0.283 0.000 2.374 3 S HA -0.131 4.339 4.470 -0.001 0.000 0.227 3 S C 0.158 174.325 174.600 -0.722 0.000 1.037 3 S CA 1.134 59.032 58.200 -0.503 0.000 1.024 3 S CB -0.272 62.559 63.200 -0.614 0.000 0.861 3 S HN 0.646 nan 8.310 nan 0.000 0.456 4 Y N 0.770 120.909 120.300 -0.268 0.000 2.534 4 Y HA 0.564 5.113 4.550 -0.001 0.000 0.345 4 Y C 0.027 175.628 175.900 -0.498 0.000 1.031 4 Y CA -0.869 56.936 58.100 -0.492 0.000 1.022 4 Y CB 2.025 40.011 38.460 -0.790 0.000 1.292 4 Y HN 0.150 nan 8.280 nan 0.000 0.459 5 T N -2.168 112.144 114.554 -0.402 0.000 2.887 5 T HA 0.714 5.064 4.350 -0.001 0.000 0.288 5 T C -1.298 173.140 174.700 -0.437 0.000 1.021 5 T CA -0.782 61.134 62.100 -0.307 0.000 1.000 5 T CB 1.149 69.952 68.868 -0.108 0.000 1.034 5 T HN 0.549 nan 8.240 nan 0.000 0.467 6 W N 0.847 122.201 121.300 0.091 0.000 2.761 6 W HA 0.474 5.133 4.660 -0.001 0.000 0.340 6 W C 1.431 177.977 176.519 0.046 0.000 1.072 6 W CA -0.777 56.606 57.345 0.064 0.000 1.215 6 W CB 2.100 31.582 29.460 0.036 0.000 1.420 6 W HN 0.905 nan 8.180 nan 0.000 0.519 7 T N -2.274 112.461 114.554 0.302 0.000 3.035 7 T HA 0.276 4.626 4.350 -0.001 0.000 0.259 7 T C 1.510 176.294 174.700 0.140 0.000 1.078 7 T CA 0.984 63.187 62.100 0.172 0.000 1.132 7 T CB -0.072 68.876 68.868 0.134 0.000 0.900 7 T HN 1.262 nan 8.240 nan 0.000 0.480 8 G N 1.340 110.231 108.800 0.151 0.000 2.213 8 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.226 8 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.226 8 G C 0.382 175.305 174.900 0.038 0.000 0.992 8 G CA -0.091 45.050 45.100 0.068 0.000 0.632 8 G HN 1.142 nan 8.290 nan 0.000 0.511 9 A N 0.611 123.468 122.820 0.062 0.000 2.483 9 A HA 0.603 4.922 4.320 -0.001 0.000 0.238 9 A C 0.768 178.359 177.584 0.011 0.000 1.070 9 A CA 0.357 52.418 52.037 0.040 0.000 0.770 9 A CB 0.186 19.220 19.000 0.057 0.000 1.008 9 A HN 0.924 nan 8.150 nan 0.000 0.497 10 L N 1.755 122.974 121.223 -0.008 0.000 2.375 10 L HA 0.323 4.663 4.340 -0.001 0.000 0.271 10 L C -0.046 176.807 176.870 -0.028 0.000 1.107 10 L CA -0.378 54.439 54.840 -0.037 0.000 0.806 10 L CB 0.938 42.978 42.059 -0.031 0.000 1.146 10 L HN 0.561 nan 8.230 nan 0.000 0.447 11 I N 1.959 122.494 120.570 -0.057 0.000 2.436 11 I HA 0.076 4.246 4.170 -0.001 0.000 0.289 11 I C 0.499 176.607 176.117 -0.016 0.000 1.083 11 I CA 0.076 61.356 61.300 -0.033 0.000 1.372 11 I CB 0.733 38.696 38.000 -0.062 0.000 1.408 11 I HN 0.650 nan 8.210 nan 0.000 0.516 12 T N 5.036 119.592 114.554 0.002 0.000 2.925 12 T HA 0.595 4.945 4.350 -0.001 0.000 0.285 12 T C -2.469 172.244 174.700 0.022 0.000 1.021 12 T CA -2.049 60.056 62.100 0.009 0.000 1.042 12 T CB 1.769 70.642 68.868 0.008 0.000 1.037 12 T HN 0.257 nan 8.240 nan 0.000 0.481 13 P HA 0.356 nan 4.420 nan 0.000 0.278 13 P C 0.160 177.480 177.300 0.033 0.000 1.258 13 P CA -0.705 62.415 63.100 0.033 0.000 0.811 13 P CB 1.046 32.766 31.700 0.033 0.000 1.063 14 C N 0.636 119.959 119.300 0.039 0.000 2.519 14 C HA 0.394 4.853 4.460 -0.001 0.000 0.281 14 C C 1.436 176.444 174.990 0.029 0.000 1.331 14 C CA 1.127 60.166 59.018 0.035 0.000 1.725 14 C CB -0.710 27.055 27.740 0.042 0.000 2.079 14 C HN 0.688 nan 8.230 nan 0.000 0.496 15 A N -0.401 122.438 122.820 0.032 0.000 2.486 15 A HA 0.780 5.099 4.320 -0.001 0.000 0.289 15 A C -0.431 177.176 177.584 0.039 0.000 1.176 15 A CA 0.109 52.165 52.037 0.033 0.000 0.757 15 A CB 0.059 19.079 19.000 0.034 0.000 1.337 15 A HN 0.541 nan 8.150 nan 0.000 0.423 16 A N 0.079 122.923 122.820 0.041 0.000 2.531 16 A HA 0.460 4.779 4.320 -0.001 0.000 0.236 16 A C -0.009 177.614 177.584 0.065 0.000 1.062 16 A CA 0.461 52.527 52.037 0.049 0.000 0.760 16 A CB -0.370 18.658 19.000 0.046 0.000 0.995 16 A HN 0.664 nan 8.150 nan 0.000 0.501 17 E N 1.403 121.647 120.200 0.073 0.000 2.187 17 E HA 0.372 4.721 4.350 -0.001 0.000 0.268 17 E C -0.994 175.683 176.600 0.129 0.000 0.896 17 E CA -0.511 55.946 56.400 0.095 0.000 0.766 17 E CB 1.706 31.452 29.700 0.077 0.000 1.142 17 E HN 0.744 nan 8.360 nan 0.000 0.408 18 E N 0.979 121.298 120.200 0.197 0.000 2.249 18 E HA 0.162 4.511 4.350 -0.001 0.000 0.280 18 E C 0.141 176.947 176.600 0.344 0.000 1.016 18 E CA -0.225 56.334 56.400 0.264 0.000 0.830 18 E CB 1.349 31.254 29.700 0.341 0.000 1.081 18 E HN 0.570 nan 8.360 nan 0.000 0.395 19 S N 0.541 116.422 115.700 0.302 0.000 2.575 19 S HA 0.104 4.574 4.470 -0.001 0.000 0.230 19 S C 0.971 175.813 174.600 0.404 0.000 1.062 19 S CA -0.380 58.021 58.200 0.335 0.000 0.913 19 S CB 0.013 63.352 63.200 0.231 0.000 0.837 19 S HN 0.396 nan 8.310 nan 0.000 0.487 20 K N 1.837 122.405 120.400 0.280 0.000 2.174 20 K HA 0.676 4.995 4.320 -0.001 0.000 0.275 20 K C -0.382 176.262 176.600 0.074 0.000 1.015 20 K CA -0.784 55.618 56.287 0.192 0.000 0.933 20 K CB -0.134 32.422 32.500 0.093 0.000 1.025 20 K HN 0.417 nan 8.250 nan 0.000 0.463 21 L N 3.929 125.184 121.223 0.053 0.000 2.615 21 L HA 0.212 4.552 4.340 -0.001 0.000 0.271 21 L C -2.241 174.379 176.870 -0.417 0.000 1.183 21 L CA -1.294 53.398 54.840 -0.247 0.000 0.933 21 L CB 0.224 42.273 42.059 -0.016 0.000 1.199 21 L HN 0.524 nan 8.230 nan 0.000 0.487 22 P HA 0.173 nan 4.420 nan 0.000 0.268 22 P C -0.961 176.097 177.300 -0.403 0.000 1.204 22 P CA 0.055 62.852 63.100 -0.505 0.000 0.768 22 P CB 0.479 31.806 31.700 -0.623 0.000 0.842 23 I N 3.256 123.647 120.570 -0.298 0.000 2.433 23 I HA 0.362 4.531 4.170 -0.001 0.000 0.292 23 I C 0.525 176.528 176.117 -0.190 0.000 1.001 23 I CA -0.691 60.437 61.300 -0.287 0.000 1.119 23 I CB 1.436 39.258 38.000 -0.298 0.000 1.289 23 I HN 0.464 nan 8.210 nan 0.000 0.438 24 N N 4.300 122.904 118.700 -0.160 0.000 3.294 24 N HA 0.467 5.206 4.740 -0.001 0.000 0.355 24 N C 0.401 175.868 175.510 -0.071 0.000 1.497 24 N CA -0.416 52.572 53.050 -0.104 0.000 0.707 24 N CB 0.485 38.913 38.487 -0.098 0.000 1.732 24 N HN 0.382 nan 8.380 nan 0.000 0.640 25 A N -0.739 122.052 122.820 -0.049 0.000 2.168 25 A HA 0.185 4.505 4.320 -0.001 0.000 0.215 25 A C 1.703 179.275 177.584 -0.019 0.000 1.152 25 A CA 0.690 52.709 52.037 -0.030 0.000 0.716 25 A CB -0.893 18.091 19.000 -0.026 0.000 0.794 25 A HN 0.530 nan 8.150 nan 0.000 0.465 26 L N -1.410 119.800 121.223 -0.021 0.000 2.513 26 L HA 0.040 4.379 4.340 -0.001 0.000 0.222 26 L C 2.421 179.321 176.870 0.050 0.000 1.096 26 L CA 0.466 55.312 54.840 0.012 0.000 0.857 26 L CB -0.192 41.860 42.059 -0.011 0.000 1.026 26 L HN 0.196 nan 8.230 nan 0.000 0.469 27 S N 0.781 116.482 115.700 0.001 0.000 2.365 27 S HA -0.180 4.290 4.470 -0.001 0.000 0.225 27 S C 1.721 176.370 174.600 0.081 0.000 1.039 27 S CA 1.686 59.882 58.200 -0.006 0.000 1.033 27 S CB -0.287 62.821 63.200 -0.154 0.000 0.887 27 S HN 0.457 nan 8.310 nan 0.000 0.447 28 N N 1.326 120.086 118.700 0.099 0.000 2.309 28 N HA -0.042 4.698 4.740 -0.001 0.000 0.182 28 N C 1.922 177.451 175.510 0.031 0.000 1.018 28 N CA 1.207 54.321 53.050 0.107 0.000 0.876 28 N CB -0.509 38.023 38.487 0.075 0.000 0.972 28 N HN 0.573 nan 8.380 nan 0.000 0.434 29 S N -0.184 115.531 115.700 0.024 0.000 2.419 29 S HA -0.084 4.385 4.470 -0.001 0.000 0.233 29 S C 1.818 176.416 174.600 -0.002 0.000 1.016 29 S CA 0.586 58.774 58.200 -0.019 0.000 0.974 29 S CB -0.263 62.950 63.200 0.023 0.000 0.786 29 S HN 0.225 nan 8.310 nan 0.000 0.492 30 L N 1.041 122.276 121.223 0.019 0.000 2.200 30 L HA 0.546 4.886 4.340 -0.001 0.000 0.200 30 L C 0.264 177.183 176.870 0.082 0.000 1.072 30 L CA 0.923 55.770 54.840 0.011 0.000 0.787 30 L CB -0.097 41.760 42.059 -0.337 0.000 0.957 30 L HN 0.652 nan 8.230 nan 0.000 0.459 31 L N -5.033 116.224 121.223 0.056 0.000 2.556 31 L HA 0.460 4.799 4.340 -0.001 0.000 0.257 31 L C -0.012 176.853 176.870 -0.007 0.000 0.955 31 L CA -0.911 53.943 54.840 0.024 0.000 0.850 31 L CB 1.769 43.860 42.059 0.054 0.000 1.398 31 L HN -0.364 nan 8.230 nan 0.000 0.412 32 R N -1.264 119.099 120.500 -0.227 0.000 2.254 32 R HA 0.246 4.586 4.340 -0.001 0.000 0.193 32 R C 0.122 176.129 176.300 -0.488 0.000 0.929 32 R CA 0.695 56.555 56.100 -0.401 0.000 1.038 32 R CB -0.551 29.558 30.300 -0.318 0.000 1.009 32 R HN 0.806 nan 8.270 nan 0.000 0.512 33 H N 0.385 119.340 119.070 -0.191 0.000 2.820 33 H HA 0.271 4.827 4.556 -0.001 0.000 0.248 33 H C 0.607 175.931 175.328 -0.007 0.000 1.714 33 H CA -0.246 55.732 56.048 -0.117 0.000 1.334 33 H CB -0.045 29.701 29.762 -0.027 0.000 1.693 33 H HN 0.487 nan 8.280 nan 0.000 0.548 34 H N 0.979 120.134 119.070 0.142 0.000 2.389 34 H HA -0.151 4.405 4.556 -0.001 0.000 0.299 34 H C 1.909 177.309 175.328 0.119 0.000 1.081 34 H CA 0.915 57.023 56.048 0.100 0.000 1.345 34 H CB 0.333 30.128 29.762 0.055 0.000 1.393 34 H HN 0.614 nan 8.280 nan 0.000 0.520 35 N N 1.218 120.048 118.700 0.216 0.000 2.585 35 N HA -0.139 4.601 4.740 -0.001 0.000 0.188 35 N C 1.292 176.906 175.510 0.172 0.000 1.102 35 N CA 0.966 54.114 53.050 0.164 0.000 0.920 35 N CB -0.346 38.202 38.487 0.101 0.000 0.963 35 N HN 0.444 nan 8.380 nan 0.000 0.447 36 M N -0.215 119.501 119.600 0.194 0.000 2.506 36 M HA 0.115 4.594 4.480 -0.001 0.000 0.260 36 M C -0.098 176.367 176.300 0.276 0.000 1.104 36 M CA 0.286 55.709 55.300 0.204 0.000 1.112 36 M CB 0.473 33.182 32.600 0.182 0.000 1.401 36 M HN -0.101 nan 8.290 nan 0.000 0.473 37 V N 1.196 121.280 119.914 0.283 0.000 2.427 37 V HA 0.313 4.433 4.120 -0.001 0.000 0.286 37 V C -0.760 175.573 176.094 0.398 0.000 1.034 37 V CA -0.745 61.731 62.300 0.294 0.000 0.893 37 V CB 0.723 32.699 31.823 0.255 0.000 0.982 37 V HN 0.309 nan 8.190 nan 0.000 0.452 38 Y N 2.487 122.939 120.300 0.253 0.000 2.615 38 Y HA 0.924 5.473 4.550 -0.001 0.000 0.341 38 Y C -0.400 175.613 175.900 0.188 0.000 1.089 38 Y CA -1.497 56.761 58.100 0.263 0.000 1.049 38 Y CB 1.582 40.158 38.460 0.193 0.000 1.296 38 Y HN 0.698 nan 8.280 nan 0.000 0.470 39 A N 1.477 124.399 122.820 0.169 0.000 2.337 39 A HA 0.670 4.990 4.320 -0.001 0.000 0.329 39 A C -0.063 177.627 177.584 0.177 0.000 1.146 39 A CA -0.359 51.595 52.037 -0.138 0.000 0.800 39 A CB 0.434 19.149 19.000 -0.474 0.000 1.220 39 A HN 1.078 nan 8.150 nan 0.000 0.472 40 T N 0.003 114.646 114.554 0.150 0.000 2.918 40 T HA 0.564 4.913 4.350 -0.001 0.000 0.302 40 T C 0.355 175.124 174.700 0.115 0.000 1.045 40 T CA 0.403 62.640 62.100 0.228 0.000 1.114 40 T CB 0.735 69.757 68.868 0.256 0.000 0.965 40 T HN 1.486 nan 8.240 nan 0.000 0.540 41 T N -1.996 112.625 114.554 0.111 0.000 2.841 41 T HA 0.472 4.822 4.350 -0.001 0.000 0.296 41 T C 1.346 176.078 174.700 0.054 0.000 1.166 41 T CA -0.248 61.896 62.100 0.074 0.000 1.007 41 T CB 1.237 70.153 68.868 0.080 0.000 1.253 41 T HN 0.797 nan 8.240 nan 0.000 0.511 42 S N 0.145 115.868 115.700 0.039 0.000 2.465 42 S HA -0.151 4.318 4.470 -0.001 0.000 0.241 42 S C 1.751 176.354 174.600 0.005 0.000 1.000 42 S CA 0.615 58.825 58.200 0.018 0.000 0.964 42 S CB -0.717 62.493 63.200 0.016 0.000 0.763 42 S HN 0.733 nan 8.310 nan 0.000 0.512 43 R N 1.476 121.986 120.500 0.018 0.000 2.152 43 R HA -0.028 4.311 4.340 -0.001 0.000 0.232 43 R C 2.209 178.506 176.300 -0.005 0.000 1.117 43 R CA 1.493 57.597 56.100 0.008 0.000 0.981 43 R CB -0.414 29.898 30.300 0.021 0.000 0.870 43 R HN 0.728 nan 8.270 nan 0.000 0.451 44 S N -0.720 114.982 115.700 0.003 0.000 2.577 44 S HA 0.236 4.706 4.470 -0.001 0.000 0.219 44 S C 1.746 176.327 174.600 -0.032 0.000 0.962 44 S CA 0.157 58.351 58.200 -0.009 0.000 0.921 44 S CB 0.867 64.076 63.200 0.015 0.000 0.789 44 S HN 0.267 nan 8.310 nan 0.000 0.497 45 A N 2.100 124.892 122.820 -0.046 0.000 1.940 45 A HA 0.136 4.455 4.320 -0.001 0.000 0.219 45 A C 2.252 179.741 177.584 -0.158 0.000 1.176 45 A CA 1.603 53.588 52.037 -0.087 0.000 0.631 45 A CB -1.618 17.328 19.000 -0.090 0.000 0.814 45 A HN 0.652 nan 8.150 nan 0.000 0.446 46 G N -0.350 108.358 108.800 -0.154 0.000 2.422 46 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.218 46 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.218 46 G C 1.537 176.345 174.900 -0.153 0.000 1.146 46 G CA 0.967 45.949 45.100 -0.196 0.000 0.769 46 G HN 0.444 nan 8.290 nan 0.000 0.547 47 L N -0.260 120.907 121.223 -0.094 0.000 2.046 47 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 47 L C 2.918 179.759 176.870 -0.048 0.000 1.077 47 L CA 1.241 56.046 54.840 -0.058 0.000 0.747 47 L CB -0.276 41.761 42.059 -0.037 0.000 0.896 47 L HN 0.152 nan 8.230 nan 0.000 0.432 48 R N 0.387 120.853 120.500 -0.057 0.000 2.073 48 R HA -0.163 4.176 4.340 -0.001 0.000 0.234 48 R C 2.228 178.498 176.300 -0.050 0.000 1.134 48 R CA 1.595 57.677 56.100 -0.030 0.000 0.952 48 R CB -0.446 29.841 30.300 -0.022 0.000 0.850 48 R HN 0.357 nan 8.270 nan 0.000 0.433 49 Q N 0.104 119.796 119.800 -0.180 0.000 2.112 49 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 49 Q C 2.059 178.023 176.000 -0.060 0.000 0.987 49 Q CA 2.249 57.876 55.803 -0.294 0.000 0.858 49 Q CB -0.156 28.103 28.738 -0.799 0.000 0.905 49 Q HN 0.332 nan 8.270 nan 0.000 0.420 50 K N 0.742 121.109 120.400 -0.055 0.000 2.009 50 K HA -0.157 4.162 4.320 -0.001 0.000 0.210 50 K C 2.045 178.725 176.600 0.134 0.000 1.049 50 K CA 1.335 57.648 56.287 0.045 0.000 0.929 50 K CB -0.032 32.475 32.500 0.011 0.000 0.714 50 K HN 0.082 nan 8.250 nan 0.000 0.440 51 K N 0.521 120.990 120.400 0.114 0.000 2.103 51 K HA -0.123 4.197 4.320 -0.001 0.000 0.207 51 K C 1.994 178.789 176.600 0.324 0.000 1.048 51 K CA 1.681 58.070 56.287 0.170 0.000 0.930 51 K CB -0.119 32.450 32.500 0.115 0.000 0.716 51 K HN 0.172 nan 8.250 nan 0.000 0.444 52 V N -1.485 118.610 119.914 0.303 0.000 3.623 52 V HA 0.045 4.165 4.120 -0.001 0.000 0.271 52 V C 0.407 176.705 176.094 0.340 0.000 1.248 52 V CA 0.292 62.824 62.300 0.387 0.000 1.156 52 V CB -0.048 31.951 31.823 0.294 0.000 0.870 52 V HN -0.034 nan 8.190 nan 0.000 0.453 53 T N 4.400 119.187 114.554 0.388 0.000 2.781 53 T HA 0.713 5.063 4.350 -0.001 0.000 0.305 53 T C -0.763 174.131 174.700 0.323 0.000 1.001 53 T CA -0.044 62.253 62.100 0.328 0.000 0.950 53 T CB 0.119 69.271 68.868 0.473 0.000 0.955 53 T HN 0.607 nan 8.240 nan 0.000 0.471 54 F N -0.294 119.764 119.950 0.179 0.000 2.713 54 F HA 0.665 5.191 4.527 -0.001 0.000 0.311 54 F C -0.932 174.919 175.800 0.084 0.000 1.141 54 F CA -1.702 56.367 58.000 0.115 0.000 0.939 54 F CB 0.765 39.822 39.000 0.095 0.000 1.325 54 F HN 0.178 nan 8.300 nan 0.000 0.453 55 D N 0.913 121.485 120.400 0.286 0.000 2.350 55 D HA 0.426 5.065 4.640 -0.001 0.000 0.249 55 D C -0.856 175.596 176.300 0.254 0.000 1.119 55 D CA 0.080 54.196 54.000 0.192 0.000 0.886 55 D CB 0.831 41.724 40.800 0.157 0.000 1.195 55 D HN 0.559 nan 8.370 nan 0.000 0.437 56 R N 2.519 123.117 120.500 0.163 0.000 2.387 56 R HA 0.532 4.871 4.340 -0.001 0.000 0.314 56 R C -0.993 175.322 176.300 0.024 0.000 0.958 56 R CA -0.699 55.477 56.100 0.127 0.000 0.846 56 R CB 0.991 31.328 30.300 0.062 0.000 1.147 56 R HN 0.308 nan 8.270 nan 0.000 0.447 57 L N 1.975 123.203 121.223 0.008 0.000 2.334 57 L HA 0.529 4.869 4.340 -0.001 0.000 0.276 57 L C -0.532 176.295 176.870 -0.072 0.000 1.014 57 L CA -0.280 54.524 54.840 -0.060 0.000 0.815 57 L CB 1.774 43.818 42.059 -0.025 0.000 1.268 57 L HN 0.557 nan 8.230 nan 0.000 0.428 58 Q N 1.672 121.402 119.800 -0.117 0.000 2.271 58 Q HA 0.688 5.028 4.340 -0.001 0.000 0.268 58 Q C -1.664 174.272 176.000 -0.107 0.000 1.021 58 Q CA -0.602 55.139 55.803 -0.104 0.000 0.802 58 Q CB 2.389 31.044 28.738 -0.137 0.000 1.282 58 Q HN 0.497 nan 8.270 nan 0.000 0.431 59 V N 2.303 122.173 119.914 -0.073 0.000 2.407 59 V HA 0.616 4.736 4.120 -0.001 0.000 0.291 59 V C -0.723 175.352 176.094 -0.032 0.000 1.018 59 V CA -0.763 61.497 62.300 -0.067 0.000 0.842 59 V CB 1.113 32.898 31.823 -0.063 0.000 0.996 59 V HN 0.668 nan 8.190 nan 0.000 0.426 60 L N 5.607 126.773 121.223 -0.095 0.000 2.298 60 L HA 0.636 4.976 4.340 -0.001 0.000 0.284 60 L C -0.214 176.653 176.870 -0.005 0.000 1.013 60 L CA -0.430 54.311 54.840 -0.164 0.000 0.824 60 L CB 1.605 43.402 42.059 -0.437 0.000 1.221 60 L HN 0.894 nan 8.230 nan 0.000 0.418 61 D N 0.781 121.258 120.400 0.127 0.000 2.588 61 D HA 0.136 4.775 4.640 -0.001 0.000 0.268 61 D C 0.243 176.611 176.300 0.113 0.000 1.176 61 D CA -0.547 53.515 54.000 0.103 0.000 1.080 61 D CB 0.941 41.804 40.800 0.104 0.000 1.186 61 D HN 0.304 nan 8.370 nan 0.000 0.619 62 D N -1.267 119.140 120.400 0.011 0.000 2.149 62 D HA -0.132 4.507 4.640 -0.001 0.000 0.201 62 D C 1.769 178.084 176.300 0.025 0.000 0.972 62 D CA 0.947 54.935 54.000 -0.020 0.000 0.835 62 D CB -0.044 40.694 40.800 -0.103 0.000 0.966 62 D HN 0.399 nan 8.370 nan 0.000 0.476 63 H N -0.010 119.125 119.070 0.108 0.000 2.352 63 H HA -0.165 4.391 4.556 -0.001 0.000 0.299 63 H C 2.003 177.378 175.328 0.078 0.000 1.097 63 H CA 0.968 57.073 56.048 0.096 0.000 1.311 63 H CB -0.728 29.113 29.762 0.131 0.000 1.377 63 H HN 0.326 nan 8.280 nan 0.000 0.504 64 Y N 1.838 122.193 120.300 0.092 0.000 2.097 64 Y HA -0.245 4.304 4.550 -0.000 0.000 0.282 64 Y C 2.739 178.597 175.900 -0.069 0.000 1.152 64 Y CA 1.767 59.800 58.100 -0.112 0.000 1.136 64 Y CB -0.113 38.197 38.460 -0.250 0.000 0.975 64 Y HN -0.040 nan 8.280 nan 0.000 0.498 65 R N 0.046 120.612 120.500 0.109 0.000 2.120 65 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 65 R C 1.771 178.045 176.300 -0.043 0.000 1.123 65 R CA 1.408 57.515 56.100 0.012 0.000 0.975 65 R CB -0.327 30.021 30.300 0.080 0.000 0.866 65 R HN 0.418 nan 8.270 nan 0.000 0.446 66 D N 0.057 120.457 120.400 -0.002 0.000 2.104 66 D HA -0.131 4.509 4.640 -0.001 0.000 0.194 66 D C 1.942 178.225 176.300 -0.029 0.000 0.994 66 D CA 1.132 55.134 54.000 0.004 0.000 0.830 66 D CB -0.210 40.624 40.800 0.057 0.000 0.959 66 D HN -0.012 nan 8.370 nan 0.000 0.452 67 V N 0.999 120.876 119.914 -0.062 0.000 2.358 67 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 67 V C 2.435 178.456 176.094 -0.121 0.000 1.047 67 V CA 0.967 63.213 62.300 -0.090 0.000 1.035 67 V CB -0.452 31.285 31.823 -0.145 0.000 0.658 67 V HN 0.141 nan 8.190 nan 0.000 0.452 68 L N 0.860 121.947 121.223 -0.226 0.000 2.012 68 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 68 L C 2.468 179.269 176.870 -0.115 0.000 1.073 68 L CA 2.461 57.165 54.840 -0.226 0.000 0.748 68 L CB -0.948 40.908 42.059 -0.338 0.000 0.891 68 L HN 0.364 nan 8.230 nan 0.000 0.431 69 K N -0.478 119.873 120.400 -0.082 0.000 2.074 69 K HA -0.243 4.077 4.320 -0.001 0.000 0.209 69 K C 1.936 178.518 176.600 -0.030 0.000 1.048 69 K CA 2.060 58.320 56.287 -0.045 0.000 0.926 69 K CB -0.227 32.257 32.500 -0.027 0.000 0.713 69 K HN 0.527 nan 8.250 nan 0.000 0.444 70 E N 0.196 120.383 120.200 -0.022 0.000 2.077 70 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 70 E C 2.140 178.740 176.600 -0.000 0.000 0.989 70 E CA 1.819 58.219 56.400 -0.001 0.000 0.800 70 E CB -0.105 29.605 29.700 0.016 0.000 0.746 70 E HN 0.401 nan 8.360 nan 0.000 0.452 71 M N 0.539 120.136 119.600 -0.004 0.000 2.117 71 M HA -0.182 4.297 4.480 -0.001 0.000 0.262 71 M C 2.175 178.452 176.300 -0.038 0.000 1.065 71 M CA 1.496 56.789 55.300 -0.012 0.000 1.114 71 M CB -0.194 32.398 32.600 -0.013 0.000 1.361 71 M HN -0.053 nan 8.290 nan 0.000 0.408 72 K N 0.355 120.728 120.400 -0.044 0.000 2.097 72 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 72 K C 2.144 178.728 176.600 -0.026 0.000 1.049 72 K CA 1.375 57.638 56.287 -0.040 0.000 0.933 72 K CB -0.288 32.186 32.500 -0.042 0.000 0.717 72 K HN 0.301 nan 8.250 nan 0.000 0.442 73 A N 2.106 124.913 122.820 -0.021 0.000 1.908 73 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 73 A C 1.910 179.484 177.584 -0.016 0.000 1.181 73 A CA 1.648 53.677 52.037 -0.014 0.000 0.627 73 A CB -0.308 18.687 19.000 -0.008 0.000 0.818 73 A HN 0.216 nan 8.150 nan 0.000 0.445 74 K N -0.381 120.007 120.400 -0.020 0.000 2.057 74 K HA -0.018 4.301 4.320 -0.001 0.000 0.206 74 K C 2.302 178.881 176.600 -0.035 0.000 1.050 74 K CA 1.063 57.332 56.287 -0.029 0.000 0.935 74 K CB -0.360 32.116 32.500 -0.039 0.000 0.715 74 K HN 0.423 nan 8.250 nan 0.000 0.439 75 A N 1.301 124.099 122.820 -0.037 0.000 1.978 75 A HA -0.158 4.161 4.320 -0.001 0.000 0.220 75 A C 2.098 179.673 177.584 -0.015 0.000 1.170 75 A CA 1.789 53.808 52.037 -0.030 0.000 0.636 75 A CB -0.501 18.483 19.000 -0.026 0.000 0.810 75 A HN 0.185 nan 8.150 nan 0.000 0.448 76 S N -0.420 115.272 115.700 -0.013 0.000 2.507 76 S HA -0.093 4.377 4.470 -0.001 0.000 0.235 76 S C 1.915 176.511 174.600 -0.006 0.000 0.988 76 S CA 1.507 59.704 58.200 -0.005 0.000 0.944 76 S CB -0.478 62.718 63.200 -0.005 0.000 0.762 76 S HN 0.913 nan 8.310 nan 0.000 0.526 77 T N -0.789 113.758 114.554 -0.012 0.000 3.100 77 T HA 0.171 4.521 4.350 -0.001 0.000 0.253 77 T C 0.523 175.215 174.700 -0.014 0.000 1.118 77 T CA -0.066 62.026 62.100 -0.012 0.000 1.058 77 T CB -0.293 68.566 68.868 -0.016 0.000 0.953 77 T HN 0.031 nan 8.240 nan 0.000 0.515 78 V N 2.035 121.940 119.914 -0.015 0.000 2.530 78 V HA 0.370 4.490 4.120 -0.001 0.000 0.282 78 V C 0.142 176.233 176.094 -0.005 0.000 1.048 78 V CA -0.804 61.486 62.300 -0.017 0.000 0.997 78 V CB 1.158 32.967 31.823 -0.024 0.000 0.987 78 V HN 0.391 nan 8.190 nan 0.000 0.477 79 K N 3.809 124.206 120.400 -0.005 0.000 2.307 79 K HA 0.748 5.067 4.320 -0.001 0.000 0.263 79 K C -0.597 176.005 176.600 0.003 0.000 0.973 79 K CA -0.375 55.914 56.287 0.003 0.000 0.846 79 K CB 1.374 33.876 32.500 0.004 0.000 1.100 79 K HN 0.836 nan 8.250 nan 0.000 0.438 80 A N 3.992 126.818 122.820 0.010 0.000 2.374 80 A HA 0.541 4.861 4.320 -0.001 0.000 0.317 80 A C -1.293 176.307 177.584 0.026 0.000 1.094 80 A CA -0.958 51.086 52.037 0.012 0.000 0.765 80 A CB 0.957 19.959 19.000 0.004 0.000 1.268 80 A HN 0.835 nan 8.150 nan 0.000 0.438 81 K N 1.198 121.616 120.400 0.030 0.000 2.156 81 K HA 0.718 5.037 4.320 -0.001 0.000 0.250 81 K C -0.976 175.652 176.600 0.047 0.000 0.955 81 K CA -0.797 55.511 56.287 0.035 0.000 0.855 81 K CB 1.190 33.706 32.500 0.027 0.000 1.101 81 K HN 0.319 nan 8.250 nan 0.000 0.434 82 L N 2.648 123.895 121.223 0.041 0.000 2.453 82 L HA 0.137 4.477 4.340 -0.001 0.000 0.272 82 L C -0.570 176.289 176.870 -0.018 0.000 1.182 82 L CA -0.153 54.701 54.840 0.023 0.000 0.858 82 L CB 0.229 42.294 42.059 0.011 0.000 1.120 82 L HN 0.608 nan 8.230 nan 0.000 0.474 83 L N 3.095 124.295 121.223 -0.038 0.000 2.395 83 L HA 0.344 4.684 4.340 -0.001 0.000 0.269 83 L C 0.677 177.452 176.870 -0.158 0.000 1.133 83 L CA 0.290 55.087 54.840 -0.072 0.000 0.812 83 L CB 1.177 43.200 42.059 -0.060 0.000 1.125 83 L HN 0.844 nan 8.230 nan 0.000 0.452 84 S N 1.266 116.882 115.700 -0.139 0.000 2.608 84 S HA 0.210 4.679 4.470 -0.001 0.000 0.261 84 S C 1.340 175.814 174.600 -0.211 0.000 1.314 84 S CA -0.624 57.474 58.200 -0.170 0.000 0.992 84 S CB 0.717 63.850 63.200 -0.112 0.000 0.935 84 S HN 0.329 nan 8.310 nan 0.000 0.564 85 V N 2.198 121.968 119.914 -0.240 0.000 2.282 85 V HA -0.214 3.906 4.120 -0.001 0.000 0.249 85 V C 2.921 178.907 176.094 -0.180 0.000 1.057 85 V CA 2.357 64.500 62.300 -0.263 0.000 1.032 85 V CB -1.227 30.401 31.823 -0.324 0.000 0.645 85 V HN 0.991 nan 8.190 nan 0.000 0.447 86 E N 0.507 120.627 120.200 -0.134 0.000 2.051 86 E HA -0.282 4.068 4.350 -0.001 0.000 0.192 86 E C 1.941 178.475 176.600 -0.109 0.000 0.991 86 E CA 1.684 58.021 56.400 -0.105 0.000 0.799 86 E CB -0.586 29.068 29.700 -0.077 0.000 0.748 86 E HN 0.737 nan 8.360 nan 0.000 0.449 87 E N 1.403 121.534 120.200 -0.114 0.000 2.058 87 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 87 E C 2.182 178.683 176.600 -0.165 0.000 0.997 87 E CA 1.448 57.773 56.400 -0.125 0.000 0.801 87 E CB -0.237 29.397 29.700 -0.110 0.000 0.746 87 E HN 0.396 nan 8.360 nan 0.000 0.450 88 A N 0.733 123.452 122.820 -0.169 0.000 1.930 88 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 88 A C 2.421 179.916 177.584 -0.147 0.000 1.175 88 A CA 1.136 53.067 52.037 -0.176 0.000 0.627 88 A CB -0.795 18.114 19.000 -0.153 0.000 0.815 88 A HN 0.364 nan 8.150 nan 0.000 0.443 89 C N -0.220 119.003 119.300 -0.128 0.000 2.429 89 C HA -0.058 4.402 4.460 -0.001 0.000 0.277 89 C C 2.558 177.488 174.990 -0.100 0.000 1.262 89 C CA 1.186 60.142 59.018 -0.103 0.000 1.733 89 C CB -0.726 26.954 27.740 -0.099 0.000 2.010 89 C HN 0.484 nan 8.230 nan 0.000 0.483 90 K N 0.959 121.298 120.400 -0.101 0.000 2.360 90 K HA 0.045 4.364 4.320 -0.001 0.000 0.201 90 K C 1.473 178.035 176.600 -0.064 0.000 1.046 90 K CA 0.872 57.114 56.287 -0.075 0.000 0.945 90 K CB -0.495 31.965 32.500 -0.066 0.000 0.750 90 K HN 0.547 nan 8.250 nan 0.000 0.464 91 L N 0.951 122.095 121.223 -0.131 0.000 2.599 91 L HA 0.004 4.344 4.340 -0.001 0.000 0.230 91 L C 0.327 177.132 176.870 -0.109 0.000 1.141 91 L CA 0.192 54.936 54.840 -0.160 0.000 0.877 91 L CB -0.208 41.639 42.059 -0.354 0.000 1.009 91 L HN -0.097 nan 8.230 nan 0.000 0.447 92 T N 1.590 116.083 114.554 -0.102 0.000 2.794 92 T HA 0.207 4.556 4.350 -0.001 0.000 0.296 92 T C -2.311 172.274 174.700 -0.192 0.000 0.949 92 T CA -1.172 60.859 62.100 -0.115 0.000 1.101 92 T CB 0.962 69.774 68.868 -0.092 0.000 0.905 92 T HN -0.150 nan 8.240 nan 0.000 0.516 93 P HA 0.097 nan 4.420 nan 0.000 0.264 93 P C -1.864 175.175 177.300 -0.435 0.000 1.193 93 P CA -1.214 61.672 63.100 -0.358 0.000 0.763 93 P CB 0.148 31.752 31.700 -0.160 0.000 0.810 94 P HA -0.169 nan 4.420 nan 0.000 0.217 94 P C 0.258 177.193 177.300 -0.608 0.000 1.148 94 P CA 1.714 64.438 63.100 -0.626 0.000 0.828 94 P CB -0.179 31.074 31.700 -0.745 0.000 0.783 95 H N -2.528 116.428 119.070 -0.191 0.000 2.469 95 H HA 0.294 4.850 4.556 -0.001 0.000 0.286 95 H C 0.399 175.656 175.328 -0.120 0.000 1.106 95 H CA -0.377 55.596 56.048 -0.126 0.000 1.055 95 H CB -0.043 29.659 29.762 -0.101 0.000 1.618 95 H HN -0.042 nan 8.280 nan 0.000 0.559 96 S N 1.361 117.015 115.700 -0.076 0.000 2.560 96 S HA 0.309 4.779 4.470 -0.001 0.000 0.284 96 S C 0.747 175.310 174.600 -0.062 0.000 1.327 96 S CA -0.509 57.640 58.200 -0.084 0.000 1.055 96 S CB 0.161 63.305 63.200 -0.093 0.000 0.868 96 S HN 0.558 nan 8.310 nan 0.000 0.506 97 A N 4.664 127.432 122.820 -0.087 0.000 2.566 97 A HA 0.185 4.504 4.320 -0.001 0.000 0.245 97 A C 0.587 178.160 177.584 -0.020 0.000 1.056 97 A CA 0.045 52.055 52.037 -0.045 0.000 0.757 97 A CB -0.268 18.704 19.000 -0.046 0.000 0.979 97 A HN 0.858 nan 8.150 nan 0.000 0.508 98 K N 2.416 122.797 120.400 -0.031 0.000 2.230 98 K HA 0.323 4.642 4.320 -0.001 0.000 0.253 98 K C 0.424 176.944 176.600 -0.134 0.000 1.008 98 K CA 0.045 56.283 56.287 -0.082 0.000 0.910 98 K CB 0.364 32.812 32.500 -0.085 0.000 0.994 98 K HN 0.433 nan 8.250 nan 0.000 0.495 99 S N 0.094 115.606 115.700 -0.314 0.000 2.579 99 S HA 0.181 4.650 4.470 -0.001 0.000 0.275 99 S C 1.286 175.669 174.600 -0.362 0.000 1.345 99 S CA 0.166 58.126 58.200 -0.400 0.000 1.031 99 S CB 0.697 63.297 63.200 -1.000 0.000 0.892 99 S HN 0.706 nan 8.310 nan 0.000 0.529 100 K N 2.638 122.793 120.400 -0.409 0.000 2.486 100 K HA 0.167 4.487 4.320 -0.001 0.000 0.194 100 K C 0.624 176.784 176.600 -0.735 0.000 1.033 100 K CA 1.012 56.949 56.287 -0.584 0.000 1.004 100 K CB -0.619 31.434 32.500 -0.746 0.000 0.798 100 K HN 0.735 nan 8.250 nan 0.000 0.495 101 F N 0.374 120.139 119.950 -0.309 0.000 2.819 101 F HA 0.404 4.931 4.527 -0.001 0.000 0.294 101 F C 1.458 177.146 175.800 -0.187 0.000 1.166 101 F CA -0.273 57.554 58.000 -0.288 0.000 1.374 101 F CB 0.363 39.048 39.000 -0.524 0.000 0.956 101 F HN 0.261 nan 8.300 nan 0.000 0.509 102 G N 0.533 109.277 108.800 -0.094 0.000 2.142 102 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.225 102 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.225 102 G C -0.399 174.576 174.900 0.125 0.000 1.015 102 G CA 0.115 45.226 45.100 0.017 0.000 0.716 102 G HN 0.569 nan 8.290 nan 0.000 0.508 103 Y N -2.723 117.572 120.300 -0.009 0.000 2.656 103 Y HA 0.773 5.323 4.550 -0.001 0.000 0.334 103 Y C 0.361 176.262 175.900 0.001 0.000 1.179 103 Y CA -1.024 57.076 58.100 -0.000 0.000 1.050 103 Y CB 0.576 39.042 38.460 0.011 0.000 1.308 103 Y HN 0.689 nan 8.280 nan 0.000 0.456 104 G N -0.108 108.764 108.800 0.119 0.000 3.175 104 G HA2 0.545 4.505 3.960 -0.001 0.000 0.255 104 G HA3 0.545 4.505 3.960 -0.001 0.000 0.255 104 G C 0.159 175.115 174.900 0.094 0.000 1.352 104 G CA -0.763 44.355 45.100 0.030 0.000 1.037 104 G HN 1.192 nan 8.290 nan 0.000 0.556 105 A N -0.554 122.271 122.820 0.009 0.000 1.969 105 A HA 0.047 4.366 4.320 -0.001 0.000 0.218 105 A C 2.243 179.789 177.584 -0.063 0.000 1.169 105 A CA 1.556 53.576 52.037 -0.030 0.000 0.635 105 A CB -0.286 18.655 19.000 -0.099 0.000 0.810 105 A HN 0.404 nan 8.150 nan 0.000 0.445 106 K N 0.338 120.694 120.400 -0.072 0.000 2.097 106 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 106 K C 1.325 177.902 176.600 -0.037 0.000 1.050 106 K CA 1.362 57.598 56.287 -0.084 0.000 0.938 106 K CB -0.496 31.956 32.500 -0.081 0.000 0.718 106 K HN 0.480 nan 8.250 nan 0.000 0.442 107 D N 0.924 121.333 120.400 0.016 0.000 2.117 107 D HA -0.120 4.520 4.640 -0.001 0.000 0.197 107 D C 2.108 178.406 176.300 -0.003 0.000 0.987 107 D CA 0.754 54.772 54.000 0.029 0.000 0.829 107 D CB -0.302 40.563 40.800 0.109 0.000 0.961 107 D HN -0.102 nan 8.370 nan 0.000 0.460 108 V N 1.243 121.176 119.914 0.031 0.000 2.261 108 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 108 V C 2.518 178.581 176.094 -0.052 0.000 1.047 108 V CA 1.631 63.926 62.300 -0.008 0.000 1.015 108 V CB -0.331 31.525 31.823 0.055 0.000 0.642 108 V HN 0.137 nan 8.190 nan 0.000 0.446 109 R N 0.244 120.705 120.500 -0.065 0.000 2.120 109 R HA -0.115 4.225 4.340 -0.001 0.000 0.234 109 R C 1.841 178.099 176.300 -0.070 0.000 1.123 109 R CA 1.383 57.432 56.100 -0.085 0.000 0.975 109 R CB -0.378 29.847 30.300 -0.124 0.000 0.866 109 R HN 0.504 nan 8.270 nan 0.000 0.446 110 N N 0.820 119.485 118.700 -0.060 0.000 2.461 110 N HA 0.039 4.779 4.740 -0.001 0.000 0.188 110 N C 0.273 175.753 175.510 -0.049 0.000 1.134 110 N CA 0.359 53.380 53.050 -0.049 0.000 0.878 110 N CB 0.200 38.663 38.487 -0.040 0.000 0.972 110 N HN 0.153 nan 8.380 nan 0.000 0.456 111 L N 0.675 121.862 121.223 -0.060 0.000 3.717 111 L HA -0.220 4.119 4.340 -0.001 0.000 0.414 111 L C 0.215 177.048 176.870 -0.062 0.000 1.228 111 L CA -0.048 54.752 54.840 -0.067 0.000 0.918 111 L CB -2.713 39.312 42.059 -0.056 0.000 1.865 111 L HN 0.135 nan 8.230 nan 0.000 0.922 112 S N -0.679 114.982 115.700 -0.064 0.000 2.568 112 S HA 0.244 4.713 4.470 -0.001 0.000 0.282 112 S C 1.543 176.100 174.600 -0.072 0.000 1.338 112 S CA 0.006 58.173 58.200 -0.055 0.000 1.045 112 S CB 1.766 64.941 63.200 -0.041 0.000 0.873 112 S HN 0.559 nan 8.310 nan 0.000 0.516 113 S N 3.015 118.688 115.700 -0.046 0.000 2.374 113 S HA -0.249 4.220 4.470 -0.001 0.000 0.227 113 S C 1.731 176.299 174.600 -0.054 0.000 1.037 113 S CA 1.409 59.586 58.200 -0.037 0.000 1.024 113 S CB -0.678 62.511 63.200 -0.019 0.000 0.861 113 S HN 0.861 nan 8.310 nan 0.000 0.456 114 K N 1.362 121.724 120.400 -0.064 0.000 2.057 114 K HA 0.013 4.333 4.320 -0.001 0.000 0.207 114 K C 2.384 178.835 176.600 -0.248 0.000 1.049 114 K CA 1.095 57.339 56.287 -0.071 0.000 0.931 114 K CB -0.605 31.891 32.500 -0.006 0.000 0.714 114 K HN 0.482 nan 8.250 nan 0.000 0.440 115 A N 0.606 123.154 122.820 -0.454 0.000 1.841 115 A HA -0.113 4.206 4.320 -0.001 0.000 0.214 115 A C 2.245 179.551 177.584 -0.463 0.000 1.195 115 A CA 1.603 53.072 52.037 -0.946 0.000 0.611 115 A CB -0.838 17.763 19.000 -0.665 0.000 0.835 115 A HN 0.144 nan 8.150 nan 0.000 0.443 116 V N 1.198 120.967 119.914 -0.241 0.000 2.252 116 V HA -0.323 3.797 4.120 -0.001 0.000 0.249 116 V C 2.390 178.480 176.094 -0.007 0.000 1.056 116 V CA 2.353 64.574 62.300 -0.132 0.000 1.022 116 V CB -1.111 30.682 31.823 -0.049 0.000 0.641 116 V HN 0.565 nan 8.190 nan 0.000 0.445 117 N N -0.654 118.068 118.700 0.037 0.000 2.094 117 N HA -0.213 4.527 4.740 -0.001 0.000 0.191 117 N C 1.865 177.424 175.510 0.082 0.000 1.023 117 N CA 1.837 54.943 53.050 0.094 0.000 0.857 117 N CB -0.631 37.884 38.487 0.046 0.000 1.013 117 N HN 0.681 nan 8.380 nan 0.000 0.426 118 H N 0.622 119.653 119.070 -0.067 0.000 2.357 118 H HA 0.038 4.593 4.556 -0.001 0.000 0.301 118 H C 2.120 177.440 175.328 -0.012 0.000 1.082 118 H CA 1.030 57.059 56.048 -0.031 0.000 1.342 118 H CB -0.021 29.767 29.762 0.044 0.000 1.389 118 H HN 0.125 nan 8.280 nan 0.000 0.511 119 I N 0.414 120.905 120.570 -0.132 0.000 2.118 119 I HA -0.335 3.834 4.170 -0.001 0.000 0.241 119 I C 2.413 178.444 176.117 -0.143 0.000 1.070 119 I CA 1.721 62.923 61.300 -0.162 0.000 1.327 119 I CB -0.529 37.358 38.000 -0.189 0.000 1.034 119 I HN 0.344 nan 8.210 nan 0.000 0.405 120 H N 0.085 119.119 119.070 -0.059 0.000 2.353 120 H HA -0.195 4.360 4.556 -0.001 0.000 0.298 120 H C 2.548 177.884 175.328 0.013 0.000 1.103 120 H CA 2.043 58.086 56.048 -0.008 0.000 1.293 120 H CB -0.103 29.640 29.762 -0.032 0.000 1.372 120 H HN 0.423 nan 8.280 nan 0.000 0.501 121 S N -0.028 115.695 115.700 0.037 0.000 2.387 121 S HA -0.118 4.351 4.470 -0.001 0.000 0.226 121 S C 2.283 176.819 174.600 -0.107 0.000 1.026 121 S CA 1.087 59.263 58.200 -0.040 0.000 0.972 121 S CB -0.657 62.496 63.200 -0.079 0.000 0.814 121 S HN 0.169 nan 8.310 nan 0.000 0.477 122 V N 0.955 120.738 119.914 -0.218 0.000 2.295 122 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 122 V C 2.268 178.352 176.094 -0.017 0.000 1.049 122 V CA 1.932 64.131 62.300 -0.169 0.000 1.024 122 V CB -1.129 30.568 31.823 -0.209 0.000 0.648 122 V HN 0.706 nan 8.190 nan 0.000 0.447 123 W N 1.313 122.544 121.300 -0.116 0.000 2.354 123 W HA -0.228 4.432 4.660 -0.001 0.000 0.315 123 W C 2.574 179.068 176.519 -0.042 0.000 1.206 123 W CA 2.330 59.636 57.345 -0.065 0.000 1.290 123 W CB -0.202 29.229 29.460 -0.049 0.000 1.152 123 W HN 0.234 nan 8.180 nan 0.000 0.489 124 K N 0.529 121.007 120.400 0.129 0.000 2.063 124 K HA -0.286 4.033 4.320 -0.001 0.000 0.208 124 K C 1.756 178.309 176.600 -0.078 0.000 1.048 124 K CA 2.364 58.669 56.287 0.030 0.000 0.928 124 K CB -0.616 31.922 32.500 0.063 0.000 0.713 124 K HN 0.047 nan 8.250 nan 0.000 0.442 125 D N 0.086 120.437 120.400 -0.082 0.000 2.144 125 D HA -0.142 4.498 4.640 -0.001 0.000 0.199 125 D C 1.985 178.196 176.300 -0.148 0.000 0.984 125 D CA 0.919 54.859 54.000 -0.100 0.000 0.834 125 D CB 0.074 40.819 40.800 -0.091 0.000 0.955 125 D HN 0.203 nan 8.370 nan 0.000 0.465 126 L N 0.006 121.099 121.223 -0.218 0.000 2.012 126 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 126 L C 2.536 179.221 176.870 -0.309 0.000 1.073 126 L CA 0.831 55.494 54.840 -0.294 0.000 0.748 126 L CB -0.454 41.341 42.059 -0.440 0.000 0.891 126 L HN 0.242 nan 8.230 nan 0.000 0.431 127 L N -0.678 120.327 121.223 -0.365 0.000 2.046 127 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 127 L C 2.392 179.171 176.870 -0.151 0.000 1.077 127 L CA 1.430 56.109 54.840 -0.268 0.000 0.747 127 L CB -0.499 41.418 42.059 -0.237 0.000 0.896 127 L HN 0.327 nan 8.230 nan 0.000 0.432 128 E N -1.041 119.085 120.200 -0.123 0.000 2.170 128 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 128 E C 0.313 176.870 176.600 -0.072 0.000 0.981 128 E CA 0.330 56.683 56.400 -0.079 0.000 0.830 128 E CB 0.291 29.955 29.700 -0.060 0.000 0.775 128 E HN 0.213 nan 8.360 nan 0.000 0.470 129 D N -0.004 120.344 120.400 -0.087 0.000 2.549 129 D HA 0.058 4.697 4.640 -0.001 0.000 0.251 129 D C -0.276 175.973 176.300 -0.084 0.000 1.153 129 D CA -0.327 53.630 54.000 -0.071 0.000 0.861 129 D CB 1.468 42.231 40.800 -0.062 0.000 1.207 129 D HN -0.042 nan 8.370 nan 0.000 0.543 130 T N 0.489 115.002 114.554 -0.068 0.000 3.228 130 T HA 0.234 4.584 4.350 -0.001 0.000 0.278 130 T C 1.100 175.771 174.700 -0.049 0.000 1.014 130 T CA 0.295 62.354 62.100 -0.068 0.000 0.904 130 T CB -0.275 68.556 68.868 -0.061 0.000 1.110 130 T HN 0.208 nan 8.240 nan 0.000 0.541 131 V N -2.925 116.965 119.914 -0.041 0.000 3.350 131 V HA 0.384 4.504 4.120 -0.001 0.000 0.246 131 V C 0.577 176.661 176.094 -0.016 0.000 1.363 131 V CA -0.001 62.284 62.300 -0.025 0.000 1.162 131 V CB -0.224 31.587 31.823 -0.020 0.000 0.947 131 V HN 0.293 nan 8.190 nan 0.000 0.454 132 T N 4.621 119.163 114.554 -0.021 0.000 2.769 132 T HA 0.370 4.719 4.350 -0.001 0.000 0.293 132 T C -2.534 172.164 174.700 -0.003 0.000 0.931 132 T CA -0.453 61.643 62.100 -0.006 0.000 1.139 132 T CB 0.688 69.551 68.868 -0.008 0.000 0.881 132 T HN 0.351 nan 8.240 nan 0.000 0.532 133 P HA 0.094 nan 4.420 nan 0.000 0.262 133 P C -0.230 177.069 177.300 -0.001 0.000 1.182 133 P CA 0.043 63.157 63.100 0.023 0.000 0.761 133 P CB 0.256 32.015 31.700 0.099 0.000 0.795 134 I N 2.679 123.230 120.570 -0.031 0.000 2.395 134 I HA 0.113 4.283 4.170 -0.001 0.000 0.289 134 I C 1.008 177.108 176.117 -0.027 0.000 1.023 134 I CA -0.363 60.924 61.300 -0.022 0.000 1.350 134 I CB 0.603 38.580 38.000 -0.038 0.000 1.409 134 I HN 0.323 nan 8.210 nan 0.000 0.507 135 D N 4.466 124.865 120.400 -0.001 0.000 2.423 135 D HA 0.134 4.774 4.640 -0.001 0.000 0.238 135 D C -0.265 176.003 176.300 -0.054 0.000 1.142 135 D CA 0.325 54.312 54.000 -0.022 0.000 0.884 135 D CB 0.756 41.560 40.800 0.007 0.000 1.199 135 D HN 0.617 nan 8.370 nan 0.000 0.438 136 T N -0.628 113.865 114.554 -0.101 0.000 2.906 136 T HA 0.596 4.946 4.350 -0.001 0.000 0.295 136 T C -0.370 174.183 174.700 -0.244 0.000 1.075 136 T CA -0.985 61.017 62.100 -0.164 0.000 1.005 136 T CB 1.529 70.320 68.868 -0.127 0.000 1.136 136 T HN 0.220 nan 8.240 nan 0.000 0.498 137 T N 2.376 116.637 114.554 -0.489 0.000 2.837 137 T HA 0.557 4.907 4.350 -0.001 0.000 0.285 137 T C -0.242 174.207 174.700 -0.418 0.000 0.984 137 T CA -0.584 61.202 62.100 -0.524 0.000 1.049 137 T CB 0.675 69.041 68.868 -0.836 0.000 0.947 137 T HN 0.711 nan 8.240 nan 0.000 0.472 138 I N 4.076 124.554 120.570 -0.154 0.000 2.377 138 I HA 0.509 4.679 4.170 -0.001 0.000 0.293 138 I C -0.842 175.298 176.117 0.039 0.000 0.987 138 I CA -0.754 60.541 61.300 -0.009 0.000 1.185 138 I CB 0.652 38.701 38.000 0.081 0.000 1.341 138 I HN 0.403 nan 8.210 nan 0.000 0.455 139 M N 6.183 125.853 119.600 0.117 0.000 2.619 139 M HA 0.498 4.978 4.480 -0.001 0.000 0.297 139 M C -0.630 175.732 176.300 0.104 0.000 1.229 139 M CA -0.633 54.744 55.300 0.128 0.000 0.860 139 M CB 1.857 34.587 32.600 0.217 0.000 1.741 139 M HN 0.584 nan 8.290 nan 0.000 0.462 140 A N 2.260 125.122 122.820 0.071 0.000 2.320 140 A HA 0.478 4.798 4.320 -0.001 0.000 0.287 140 A C -0.039 177.584 177.584 0.065 0.000 1.181 140 A CA -0.523 51.550 52.037 0.059 0.000 0.831 140 A CB 0.294 19.316 19.000 0.037 0.000 1.102 140 A HN 0.693 nan 8.150 nan 0.000 0.513 141 K N 2.378 122.820 120.400 0.069 0.000 2.350 141 K HA 0.074 4.393 4.320 -0.001 0.000 0.279 141 K C -0.662 175.952 176.600 0.023 0.000 1.027 141 K CA 0.078 56.394 56.287 0.048 0.000 0.969 141 K CB 0.575 33.110 32.500 0.059 0.000 0.954 141 K HN 0.737 nan 8.250 nan 0.000 0.474 142 N N 3.059 121.742 118.700 -0.028 0.000 2.469 142 N HA 0.083 4.822 4.740 -0.001 0.000 0.239 142 N C -0.996 174.395 175.510 -0.198 0.000 1.053 142 N CA -0.193 52.802 53.050 -0.091 0.000 0.937 142 N CB 0.811 39.239 38.487 -0.099 0.000 1.163 142 N HN 0.376 nan 8.380 nan 0.000 0.509 143 E N 0.912 120.981 120.200 -0.219 0.000 2.343 143 E HA 0.436 4.786 4.350 -0.001 0.000 0.270 143 E C -0.966 175.208 176.600 -0.711 0.000 0.895 143 E CA -0.993 55.147 56.400 -0.432 0.000 0.767 143 E CB 2.516 32.016 29.700 -0.332 0.000 1.248 143 E HN 0.082 nan 8.360 nan 0.000 0.440 144 V N 2.985 122.333 119.914 -0.944 0.000 2.427 144 V HA 0.473 4.593 4.120 -0.001 0.000 0.286 144 V C -0.852 174.579 176.094 -1.105 0.000 1.034 144 V CA -0.286 61.490 62.300 -0.873 0.000 0.893 144 V CB 0.121 31.576 31.823 -0.614 0.000 0.982 144 V HN 0.504 nan 8.190 nan 0.000 0.452 145 F N 2.326 121.951 119.950 -0.541 0.000 2.675 145 F HA 0.607 5.134 4.527 -0.001 0.000 0.324 145 F C 0.160 175.779 175.800 -0.302 0.000 1.106 145 F CA -0.771 56.982 58.000 -0.413 0.000 0.970 145 F CB 1.252 39.995 39.000 -0.429 0.000 1.385 145 F HN 0.502 nan 8.300 nan 0.000 0.489 146 C N 2.363 121.758 119.300 0.158 0.000 2.370 146 C HA 0.760 5.219 4.460 -0.001 0.000 0.354 146 C C 0.039 175.244 174.990 0.359 0.000 1.218 146 C CA -0.754 58.395 59.018 0.218 0.000 2.154 146 C CB 0.113 27.939 27.740 0.142 0.000 2.391 146 C HN 0.697 nan 8.230 nan 0.000 0.540 147 V N 3.625 123.774 119.914 0.392 0.000 2.599 147 V HA 0.532 4.651 4.120 -0.001 0.000 0.300 147 V C 0.031 176.218 176.094 0.155 0.000 1.034 147 V CA 0.673 63.146 62.300 0.289 0.000 1.115 147 V CB 0.007 31.914 31.823 0.140 0.000 0.934 147 V HN 1.197 nan 8.190 nan 0.000 0.485 148 Q N 4.416 124.281 119.800 0.108 0.000 2.558 148 Q HA 0.535 4.875 4.340 -0.001 0.000 0.252 148 Q C -1.979 174.032 176.000 0.017 0.000 1.015 148 Q CA -1.375 54.460 55.803 0.053 0.000 0.720 148 Q CB 0.979 29.741 28.738 0.041 0.000 1.215 148 Q HN 0.826 nan 8.270 nan 0.000 0.500 149 P HA -0.070 nan 4.420 nan 0.000 0.222 149 P C 0.864 178.158 177.300 -0.009 0.000 1.142 149 P CA 1.601 64.697 63.100 -0.007 0.000 0.788 149 P CB -0.018 31.679 31.700 -0.006 0.000 0.767 154 R N 1.014 121.406 120.500 -0.180 0.000 2.599 154 R HA 0.508 4.848 4.340 -0.001 0.000 0.295 154 R C -0.930 175.314 176.300 -0.094 0.000 0.963 154 R CA -0.748 55.180 56.100 -0.286 0.000 0.883 154 R CB 2.377 32.314 30.300 -0.604 0.000 1.171 154 R HN 0.149 nan 8.270 nan 0.000 0.450 155 K N 3.390 123.799 120.400 0.016 0.000 2.350 155 K HA 0.185 4.504 4.320 -0.001 0.000 0.279 155 K C -2.052 174.565 176.600 0.029 0.000 1.027 155 K CA -1.476 54.781 56.287 -0.050 0.000 0.969 155 K CB 0.318 32.658 32.500 -0.267 0.000 0.954 155 K HN 0.280 nan 8.250 nan 0.000 0.474 156 P HA -0.020 nan 4.420 nan 0.000 0.272 156 P C -0.671 176.667 177.300 0.064 0.000 1.223 156 P CA -0.336 62.783 63.100 0.032 0.000 0.784 156 P CB 0.570 32.273 31.700 0.004 0.000 0.923 157 A N 3.895 126.767 122.820 0.087 0.000 2.565 157 A HA -0.010 4.310 4.320 -0.001 0.000 0.237 157 A C 0.733 178.369 177.584 0.085 0.000 1.053 157 A CA 0.202 52.302 52.037 0.105 0.000 0.755 157 A CB -0.384 18.664 19.000 0.080 0.000 0.980 157 A HN 0.459 nan 8.150 nan 0.000 0.506 158 R N 0.679 121.247 120.500 0.114 0.000 2.615 158 R HA 0.448 4.787 4.340 -0.001 0.000 0.270 158 R C -0.635 175.724 176.300 0.099 0.000 1.081 158 R CA -0.307 55.859 56.100 0.110 0.000 1.154 158 R CB 0.405 30.787 30.300 0.136 0.000 1.063 158 R HN 0.675 nan 8.270 nan 0.000 0.519 159 L N 2.358 123.645 121.223 0.106 0.000 2.309 159 L HA 0.478 4.818 4.340 -0.001 0.000 0.282 159 L C -0.321 176.640 176.870 0.151 0.000 1.036 159 L CA -0.892 54.014 54.840 0.111 0.000 0.806 159 L CB 1.381 43.495 42.059 0.092 0.000 1.220 159 L HN 0.433 nan 8.230 nan 0.000 0.429 160 I N 2.954 123.628 120.570 0.174 0.000 2.404 160 I HA 0.474 4.644 4.170 -0.001 0.000 0.293 160 I C -0.787 175.501 176.117 0.286 0.000 0.992 160 I CA -0.295 61.147 61.300 0.236 0.000 1.149 160 I CB 1.781 39.920 38.000 0.231 0.000 1.315 160 I HN 0.200 nan 8.210 nan 0.000 0.446 161 V N 8.863 128.946 119.914 0.281 0.000 2.444 161 V HA 0.584 4.704 4.120 -0.001 0.000 0.294 161 V C -0.821 175.432 176.094 0.266 0.000 1.022 161 V CA -0.500 61.914 62.300 0.189 0.000 0.850 161 V CB 1.099 33.013 31.823 0.151 0.000 0.992 161 V HN 0.589 nan 8.190 nan 0.000 0.426 162 F N 4.993 124.986 119.950 0.073 0.000 2.619 162 F HA 0.955 5.481 4.527 -0.001 0.000 0.308 162 F C -3.100 172.738 175.800 0.063 0.000 1.097 162 F CA -2.601 55.442 58.000 0.073 0.000 0.953 162 F CB 1.720 40.758 39.000 0.063 0.000 1.287 162 F HN 0.300 nan 8.300 nan 0.000 0.446 163 P HA 0.221 nan 4.420 nan 0.000 0.284 163 P C -1.089 176.335 177.300 0.207 0.000 1.292 163 P CA -0.183 62.983 63.100 0.109 0.000 0.800 163 P CB 1.123 32.894 31.700 0.118 0.000 1.188 164 D N -0.972 119.529 120.400 0.169 0.000 2.378 164 D HA -0.045 4.594 4.640 -0.001 0.000 0.238 164 D C 1.338 177.773 176.300 0.226 0.000 1.180 164 D CA -0.285 53.839 54.000 0.206 0.000 0.895 164 D CB 0.268 41.231 40.800 0.271 0.000 1.192 164 D HN 0.101 nan 8.370 nan 0.000 0.438 165 L N 3.125 124.460 121.223 0.187 0.000 2.043 165 L HA -0.029 4.311 4.340 -0.001 0.000 0.212 165 L C 2.019 179.035 176.870 0.243 0.000 1.075 165 L CA 2.613 57.555 54.840 0.171 0.000 0.752 165 L CB -1.120 40.993 42.059 0.090 0.000 0.891 165 L HN 0.660 nan 8.230 nan 0.000 0.432 166 G N -1.209 107.804 108.800 0.355 0.000 2.446 166 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 166 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 166 G C 1.544 176.559 174.900 0.192 0.000 1.168 166 G CA 1.138 46.457 45.100 0.365 0.000 0.771 166 G HN 0.355 nan 8.290 nan 0.000 0.551 167 V N 0.878 120.900 119.914 0.180 0.000 2.332 167 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 167 V C 2.937 179.117 176.094 0.142 0.000 1.055 167 V CA 2.081 64.459 62.300 0.130 0.000 1.038 167 V CB -0.502 31.389 31.823 0.114 0.000 0.651 167 V HN 0.338 nan 8.190 nan 0.000 0.450 168 R N -0.356 120.237 120.500 0.156 0.000 2.096 168 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 168 R C 2.225 178.592 176.300 0.113 0.000 1.127 168 R CA 1.403 57.588 56.100 0.142 0.000 0.968 168 R CB -0.587 29.791 30.300 0.131 0.000 0.861 168 R HN 0.435 nan 8.270 nan 0.000 0.440 169 V N 0.369 120.344 119.914 0.102 0.000 2.427 169 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 169 V C 2.449 178.584 176.094 0.068 0.000 1.051 169 V CA 1.503 63.835 62.300 0.052 0.000 1.048 169 V CB -0.425 31.417 31.823 0.032 0.000 0.666 169 V HN 0.447 nan 8.190 nan 0.000 0.456 170 C N -0.186 119.199 119.300 0.142 0.000 2.440 170 C HA -0.110 4.350 4.460 -0.001 0.000 0.278 170 C C 2.654 177.833 174.990 0.315 0.000 1.295 170 C CA 0.698 59.891 59.018 0.292 0.000 1.738 170 C CB -0.919 27.032 27.740 0.351 0.000 1.987 170 C HN 0.620 nan 8.230 nan 0.000 0.492 171 E N 1.073 121.402 120.200 0.215 0.000 2.058 171 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 171 E C 2.132 178.856 176.600 0.206 0.000 0.997 171 E CA 1.275 57.808 56.400 0.221 0.000 0.801 171 E CB -0.179 29.658 29.700 0.227 0.000 0.746 171 E HN 0.637 nan 8.360 nan 0.000 0.450 172 K N 0.446 120.938 120.400 0.154 0.000 2.044 172 K HA -0.165 4.154 4.320 -0.001 0.000 0.210 172 K C 2.244 178.914 176.600 0.117 0.000 1.049 172 K CA 1.629 57.993 56.287 0.127 0.000 0.927 172 K CB -0.196 32.301 32.500 -0.005 0.000 0.713 172 K HN 0.126 nan 8.250 nan 0.000 0.443 173 M N 0.337 119.971 119.600 0.056 0.000 2.080 173 M HA -0.212 4.268 4.480 -0.001 0.000 0.260 173 M C 2.487 178.850 176.300 0.105 0.000 1.068 173 M CA 1.874 57.149 55.300 -0.042 0.000 1.109 173 M CB -0.449 31.948 32.600 -0.337 0.000 1.342 173 M HN 0.282 nan 8.290 nan 0.000 0.405 174 A N -0.622 122.386 122.820 0.312 0.000 1.929 174 A HA -0.003 4.317 4.320 -0.001 0.000 0.216 174 A C 1.836 179.522 177.584 0.171 0.000 1.176 174 A CA 1.280 53.522 52.037 0.341 0.000 0.628 174 A CB -0.191 19.018 19.000 0.349 0.000 0.816 174 A HN 0.519 nan 8.150 nan 0.000 0.444 175 L N -3.324 117.984 121.223 0.142 0.000 3.217 175 L HA 0.198 4.537 4.340 -0.001 0.000 0.288 175 L C 1.705 178.609 176.870 0.057 0.000 1.202 175 L CA -0.025 54.837 54.840 0.037 0.000 1.027 175 L CB 0.190 42.235 42.059 -0.023 0.000 1.427 175 L HN 0.432 nan 8.230 nan 0.000 0.600 176 Y N 1.375 121.693 120.300 0.030 0.000 2.165 176 Y HA -0.316 4.233 4.550 -0.001 0.000 0.286 176 Y C 2.154 178.090 175.900 0.060 0.000 1.155 176 Y CA 2.326 60.461 58.100 0.059 0.000 1.164 176 Y CB 0.148 38.635 38.460 0.045 0.000 0.978 176 Y HN 0.239 nan 8.280 nan 0.000 0.513 177 D N -0.898 119.521 120.400 0.032 0.000 2.149 177 D HA -0.149 4.490 4.640 -0.001 0.000 0.201 177 D C 2.222 178.458 176.300 -0.107 0.000 0.972 177 D CA 1.268 55.238 54.000 -0.049 0.000 0.835 177 D CB -0.190 40.635 40.800 0.042 0.000 0.966 177 D HN 0.243 nan 8.370 nan 0.000 0.476 178 V N 0.531 120.389 119.914 -0.093 0.000 2.233 178 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 178 V C 2.701 178.685 176.094 -0.182 0.000 1.050 178 V CA 1.902 64.125 62.300 -0.129 0.000 1.010 178 V CB -0.698 31.022 31.823 -0.172 0.000 0.637 178 V HN 0.349 nan 8.190 nan 0.000 0.444 179 V N -2.390 117.393 119.914 -0.218 0.000 2.913 179 V HA -0.114 4.006 4.120 -0.001 0.000 0.260 179 V C 2.011 177.946 176.094 -0.264 0.000 1.098 179 V CA 2.154 64.316 62.300 -0.229 0.000 1.121 179 V CB -0.468 31.241 31.823 -0.190 0.000 0.714 179 V HN 0.465 nan 8.190 nan 0.000 0.487 180 S N 0.825 116.365 115.700 -0.266 0.000 2.478 180 S HA -0.009 4.461 4.470 -0.001 0.000 0.222 180 S C 1.873 176.380 174.600 -0.154 0.000 1.008 180 S CA 1.308 59.373 58.200 -0.225 0.000 0.928 180 S CB 0.092 63.100 63.200 -0.319 0.000 0.781 180 S HN 0.950 nan 8.310 nan 0.000 0.518 181 T N -0.941 113.516 114.554 -0.162 0.000 2.989 181 T HA 0.293 4.643 4.350 -0.001 0.000 0.250 181 T C 1.646 176.247 174.700 -0.165 0.000 0.981 181 T CA -0.169 61.853 62.100 -0.129 0.000 0.980 181 T CB -0.547 68.270 68.868 -0.085 0.000 1.133 181 T HN 0.210 nan 8.240 nan 0.000 0.489 182 L N 1.988 123.108 121.223 -0.173 0.000 2.046 182 L HA 0.126 4.466 4.340 -0.001 0.000 0.208 182 L C -0.891 175.815 176.870 -0.274 0.000 1.077 182 L CA 1.397 56.139 54.840 -0.163 0.000 0.747 182 L CB -0.779 41.233 42.059 -0.079 0.000 0.896 182 L HN 0.151 nan 8.230 nan 0.000 0.432 183 P HA -0.213 nan 4.420 nan 0.000 0.216 183 P C 1.335 178.203 177.300 -0.720 0.000 1.153 183 P CA 1.182 63.848 63.100 -0.723 0.000 0.848 183 P CB -0.166 30.754 31.700 -1.300 0.000 0.787 184 Q N 0.110 119.543 119.800 -0.611 0.000 2.167 184 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 184 Q C 1.910 177.788 176.000 -0.203 0.000 0.970 184 Q CA 1.429 57.066 55.803 -0.276 0.000 0.855 184 Q CB -0.653 28.017 28.738 -0.112 0.000 0.911 184 Q HN 0.083 nan 8.270 nan 0.000 0.438 185 V N 0.051 119.848 119.914 -0.195 0.000 2.358 185 V HA -0.201 3.919 4.120 -0.001 0.000 0.246 185 V C 2.506 178.514 176.094 -0.143 0.000 1.047 185 V CA 1.412 63.632 62.300 -0.134 0.000 1.035 185 V CB -0.446 31.315 31.823 -0.104 0.000 0.658 185 V HN 0.129 nan 8.190 nan 0.000 0.452 186 V N -0.671 119.126 119.914 -0.195 0.000 2.379 186 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 186 V C 2.069 177.993 176.094 -0.283 0.000 1.044 186 V CA 2.112 64.292 62.300 -0.200 0.000 1.036 186 V CB -0.404 31.293 31.823 -0.210 0.000 0.664 186 V HN 0.469 nan 8.190 nan 0.000 0.453 187 M N -1.301 118.058 119.600 -0.402 0.000 2.414 187 M HA 0.362 4.842 4.480 -0.001 0.000 0.251 187 M C 1.426 177.591 176.300 -0.225 0.000 1.116 187 M CA 0.759 55.716 55.300 -0.572 0.000 1.056 187 M CB 0.448 32.574 32.600 -0.789 0.000 1.388 187 M HN 0.465 nan 8.290 nan 0.000 0.487 188 G N 1.691 110.400 108.800 -0.150 0.000 2.596 188 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.295 188 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.295 188 G C 0.793 175.644 174.900 -0.082 0.000 1.240 188 G CA 0.764 45.818 45.100 -0.076 0.000 0.985 188 G HN 0.518 nan 8.290 nan 0.000 0.555 189 S N -0.686 114.980 115.700 -0.058 0.000 2.469 189 S HA 0.007 4.476 4.470 -0.001 0.000 0.238 189 S C 2.218 176.655 174.600 -0.272 0.000 0.998 189 S CA 2.088 60.189 58.200 -0.164 0.000 0.957 189 S CB -0.209 62.940 63.200 -0.085 0.000 0.764 189 S HN 1.117 nan 8.310 nan 0.000 0.514 190 S N 0.213 115.887 115.700 -0.043 0.000 2.481 190 S HA 0.089 4.558 4.470 -0.001 0.000 0.231 190 S C 0.280 174.892 174.600 0.020 0.000 0.996 190 S CA 0.011 58.254 58.200 0.072 0.000 0.942 190 S CB -0.435 62.927 63.200 0.269 0.000 0.768 190 S HN 0.707 nan 8.310 nan 0.000 0.520 191 Y N 3.118 123.287 120.300 -0.217 0.000 2.584 191 Y HA 0.441 4.991 4.550 -0.001 0.000 0.351 191 Y C 1.279 176.993 175.900 -0.310 0.000 1.030 191 Y CA -1.463 56.485 58.100 -0.253 0.000 1.332 191 Y CB -0.099 38.205 38.460 -0.261 0.000 1.148 191 Y HN 0.059 nan 8.280 nan 0.000 0.528 192 G N 4.500 112.911 108.800 -0.650 0.000 2.432 192 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.219 192 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.219 192 G C 1.059 175.486 174.900 -0.790 0.000 1.135 192 G CA 0.389 45.123 45.100 -0.610 0.000 0.767 192 G HN 0.644 nan 8.290 nan 0.000 0.550 193 F N 1.296 120.598 119.950 -1.080 0.000 2.748 193 F HA 0.054 4.581 4.527 -0.001 0.000 0.299 193 F C 2.812 178.427 175.800 -0.307 0.000 1.154 193 F CA 0.784 58.298 58.000 -0.810 0.000 1.446 193 F CB -0.134 38.352 39.000 -0.857 0.000 1.112 193 F HN 0.365 nan 8.300 nan 0.000 0.584 194 Q N -0.550 119.019 119.800 -0.385 0.000 2.436 194 Q HA -0.113 4.227 4.340 -0.001 0.000 0.209 194 Q C -0.593 175.277 176.000 -0.218 0.000 0.965 194 Q CA 0.872 56.522 55.803 -0.254 0.000 0.910 194 Q CB -0.374 28.112 28.738 -0.420 0.000 0.980 194 Q HN 0.291 nan 8.270 nan 0.000 0.491 195 Y N 1.862 122.216 120.300 0.092 0.000 2.330 195 Y HA 0.298 4.848 4.550 -0.001 0.000 0.336 195 Y C 0.569 176.472 175.900 0.005 0.000 1.036 195 Y CA -1.414 56.699 58.100 0.022 0.000 1.125 195 Y CB 1.483 39.906 38.460 -0.062 0.000 1.194 195 Y HN 0.099 nan 8.280 nan 0.000 0.469 196 S N 2.934 118.509 115.700 -0.209 0.000 2.608 196 S HA 0.193 4.662 4.470 -0.001 0.000 0.261 196 S C -1.950 172.398 174.600 -0.420 0.000 1.314 196 S CA -0.974 56.627 58.200 -0.999 0.000 0.992 196 S CB 1.099 63.685 63.200 -1.025 0.000 0.935 196 S HN 0.432 nan 8.310 nan 0.000 0.564 197 P HA -0.005 nan 4.420 nan 0.000 0.216 197 P C 1.706 178.948 177.300 -0.098 0.000 1.153 197 P CA 1.751 64.760 63.100 -0.153 0.000 0.858 197 P CB -0.547 31.088 31.700 -0.109 0.000 0.789 198 G N -0.358 108.356 108.800 -0.143 0.000 2.402 198 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 198 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 198 G C 1.536 176.387 174.900 -0.081 0.000 1.162 198 G CA 0.546 45.606 45.100 -0.066 0.000 0.777 198 G HN 0.307 nan 8.290 nan 0.000 0.539 199 Q N -0.473 119.262 119.800 -0.109 0.000 2.119 199 Q HA -0.006 4.334 4.340 -0.001 0.000 0.201 199 Q C 2.596 178.453 176.000 -0.238 0.000 0.972 199 Q CA 0.907 56.658 55.803 -0.085 0.000 0.847 199 Q CB -0.155 28.618 28.738 0.059 0.000 0.903 199 Q HN 0.440 nan 8.270 nan 0.000 0.433 200 R N 0.441 120.829 120.500 -0.186 0.000 2.091 200 R HA -0.150 4.190 4.340 -0.001 0.000 0.238 200 R C 2.079 178.280 176.300 -0.166 0.000 1.136 200 R CA 1.305 57.264 56.100 -0.235 0.000 0.959 200 R CB -0.161 30.111 30.300 -0.045 0.000 0.856 200 R HN 0.113 nan 8.270 nan 0.000 0.437 201 V N 1.209 121.057 119.914 -0.110 0.000 2.343 201 V HA -0.241 3.879 4.120 -0.001 0.000 0.247 201 V C 2.332 178.348 176.094 -0.130 0.000 1.051 201 V CA 2.220 64.459 62.300 -0.102 0.000 1.036 201 V CB -0.555 31.247 31.823 -0.035 0.000 0.654 201 V HN 0.488 nan 8.190 nan 0.000 0.451 202 E N -0.369 119.770 120.200 -0.101 0.000 2.038 202 E HA -0.292 4.057 4.350 -0.001 0.000 0.195 202 E C 2.117 178.660 176.600 -0.095 0.000 1.000 202 E CA 1.932 58.282 56.400 -0.083 0.000 0.803 202 E CB -0.268 29.404 29.700 -0.048 0.000 0.750 202 E HN 0.511 nan 8.360 nan 0.000 0.448 203 F N 1.246 121.010 119.950 -0.311 0.000 2.069 203 F HA -0.212 4.314 4.527 -0.001 0.000 0.298 203 F C 1.958 177.630 175.800 -0.213 0.000 1.113 203 F CA 1.605 59.415 58.000 -0.317 0.000 1.214 203 F CB -0.446 38.189 39.000 -0.609 0.000 0.978 203 F HN 0.028 nan 8.300 nan 0.000 0.474 204 L N -0.752 120.290 121.223 -0.303 0.000 2.012 204 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 204 L C 2.401 179.095 176.870 -0.293 0.000 1.073 204 L CA 1.243 55.878 54.840 -0.343 0.000 0.748 204 L CB -0.930 40.990 42.059 -0.231 0.000 0.891 204 L HN 0.030 nan 8.230 nan 0.000 0.431 205 V N 0.014 119.754 119.914 -0.290 0.000 2.295 205 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 205 V C 2.236 178.222 176.094 -0.179 0.000 1.049 205 V CA 1.865 63.980 62.300 -0.308 0.000 1.024 205 V CB -0.681 30.840 31.823 -0.503 0.000 0.648 205 V HN 0.476 nan 8.190 nan 0.000 0.447 206 N N 0.149 118.744 118.700 -0.175 0.000 2.120 206 N HA -0.142 4.598 4.740 -0.001 0.000 0.188 206 N C 1.918 177.334 175.510 -0.158 0.000 1.024 206 N CA 1.986 54.960 53.050 -0.127 0.000 0.852 206 N CB -0.745 37.692 38.487 -0.083 0.000 1.003 206 N HN 0.465 nan 8.380 nan 0.000 0.424 207 T N 0.524 114.901 114.554 -0.296 0.000 2.684 207 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 207 T C 1.512 176.134 174.700 -0.129 0.000 1.036 207 T CA 0.805 62.720 62.100 -0.308 0.000 1.148 207 T CB -0.302 68.213 68.868 -0.589 0.000 0.863 207 T HN 0.428 nan 8.240 nan 0.000 0.436 208 W N 2.286 123.421 121.300 -0.275 0.000 2.335 208 W HA -0.103 4.556 4.660 -0.001 0.000 0.311 208 W C 1.873 178.303 176.519 -0.148 0.000 1.213 208 W CA 1.214 58.439 57.345 -0.201 0.000 1.274 208 W CB -0.152 29.180 29.460 -0.212 0.000 1.148 208 W HN 0.258 nan 8.180 nan 0.000 0.498 209 K N 0.226 120.644 120.400 0.029 0.000 2.283 209 K HA -0.122 4.197 4.320 -0.001 0.000 0.202 209 K C 2.038 178.585 176.600 -0.089 0.000 1.048 209 K CA 1.521 57.790 56.287 -0.031 0.000 0.948 209 K CB -0.340 32.158 32.500 -0.002 0.000 0.742 209 K HN 0.077 nan 8.250 nan 0.000 0.458 210 S N 0.653 116.291 115.700 -0.105 0.000 2.515 210 S HA -0.005 4.465 4.470 -0.001 0.000 0.231 210 S C 0.526 175.050 174.600 -0.128 0.000 0.987 210 S CA 0.300 58.440 58.200 -0.099 0.000 0.936 210 S CB 0.033 63.179 63.200 -0.090 0.000 0.766 210 S HN -0.019 nan 8.310 nan 0.000 0.528 211 K N 1.657 121.938 120.400 -0.198 0.000 2.130 211 K HA 0.395 4.715 4.320 -0.001 0.000 0.268 211 K C 0.528 177.006 176.600 -0.202 0.000 0.983 211 K CA -0.595 55.560 56.287 -0.219 0.000 0.893 211 K CB 1.151 33.457 32.500 -0.323 0.000 1.066 211 K HN 0.054 nan 8.250 nan 0.000 0.450 212 K N 1.085 121.397 120.400 -0.146 0.000 2.002 212 K HA -0.118 4.202 4.320 -0.001 0.000 0.209 212 K C 0.461 176.981 176.600 -0.134 0.000 1.048 212 K CA 1.119 57.337 56.287 -0.114 0.000 0.930 212 K CB 0.139 32.592 32.500 -0.078 0.000 0.714 212 K HN 0.567 nan 8.250 nan 0.000 0.438 213 N N 1.156 119.766 118.700 -0.150 0.000 2.746 213 N HA 0.182 4.921 4.740 -0.001 0.000 0.250 213 N C -2.840 172.533 175.510 -0.228 0.000 1.146 213 N CA -1.634 51.327 53.050 -0.148 0.000 0.828 213 N CB 1.462 39.902 38.487 -0.079 0.000 1.158 213 N HN -0.106 nan 8.380 nan 0.000 0.519 214 P HA 0.082 nan 4.420 nan 0.000 0.271 214 P C -0.773 176.196 177.300 -0.553 0.000 1.216 214 P CA -0.160 62.444 63.100 -0.827 0.000 0.771 214 P CB 1.171 31.675 31.700 -1.993 0.000 0.864 215 M N 2.477 121.850 119.600 -0.379 0.000 2.457 215 M HA 0.666 5.145 4.480 -0.001 0.000 0.300 215 M C -1.016 175.265 176.300 -0.032 0.000 1.141 215 M CA -0.369 54.820 55.300 -0.185 0.000 0.901 215 M CB 2.542 35.075 32.600 -0.111 0.000 1.687 215 M HN 0.543 nan 8.290 nan 0.000 0.449 216 G N 3.472 112.358 108.800 0.142 0.000 2.619 216 G HA2 0.834 4.794 3.960 -0.001 0.000 0.296 216 G HA3 0.834 4.794 3.960 -0.001 0.000 0.296 216 G C -2.013 172.971 174.900 0.141 0.000 1.334 216 G CA -0.625 44.576 45.100 0.168 0.000 0.934 216 G HN 0.806 nan 8.290 nan 0.000 0.476 217 F N -0.275 119.630 119.950 -0.074 0.000 2.650 217 F HA 0.746 5.272 4.527 -0.000 0.000 0.310 217 F C -0.234 175.537 175.800 -0.048 0.000 1.112 217 F CA -1.409 56.541 58.000 -0.084 0.000 0.986 217 F CB 1.314 40.245 39.000 -0.116 0.000 1.285 217 F HN 0.622 nan 8.300 nan 0.000 0.440 218 S N 1.827 117.586 115.700 0.097 0.000 2.585 218 S HA 0.588 5.058 4.470 -0.001 0.000 0.277 218 S C -1.413 173.357 174.600 0.282 0.000 1.241 218 S CA -0.551 57.691 58.200 0.071 0.000 1.041 218 S CB 1.488 64.711 63.200 0.038 0.000 0.987 218 S HN 0.844 nan 8.310 nan 0.000 0.512 219 Y N 1.342 121.730 120.300 0.147 0.000 2.328 219 Y HA 0.429 4.978 4.550 -0.001 0.000 0.333 219 Y C -0.923 175.091 175.900 0.190 0.000 0.958 219 Y CA -0.826 57.430 58.100 0.261 0.000 1.167 219 Y CB 1.396 40.117 38.460 0.435 0.000 1.151 219 Y HN 0.845 nan 8.280 nan 0.000 0.470 220 D N 4.514 124.743 120.400 -0.284 0.000 2.443 220 D HA 0.208 4.848 4.640 -0.001 0.000 0.221 220 D C -0.753 175.404 176.300 -0.238 0.000 1.097 220 D CA -0.098 53.807 54.000 -0.158 0.000 0.865 220 D CB 0.856 41.593 40.800 -0.105 0.000 1.034 220 D HN 0.469 nan 8.370 nan 0.000 0.511 221 T N 3.751 118.343 114.554 0.063 0.000 2.851 221 T HA 0.127 4.477 4.350 -0.001 0.000 0.298 221 T C 0.551 175.350 174.700 0.166 0.000 0.977 221 T CA -0.389 61.841 62.100 0.217 0.000 1.126 221 T CB 0.655 69.877 68.868 0.589 0.000 0.916 221 T HN 0.276 nan 8.240 nan 0.000 0.529 222 R N 2.059 122.616 120.500 0.095 0.000 2.421 222 R HA 0.133 4.473 4.340 -0.001 0.000 0.305 222 R C -0.045 176.356 176.300 0.169 0.000 1.039 222 R CA -0.199 55.947 56.100 0.077 0.000 1.003 222 R CB -0.433 29.854 30.300 -0.021 0.000 0.959 222 R HN 0.962 nan 8.270 nan 0.000 0.427 223 C N 5.336 124.765 119.300 0.215 0.000 3.727 223 C HA -0.165 4.295 4.460 -0.001 0.000 0.293 223 C C 1.408 176.611 174.990 0.355 0.000 1.339 223 C CA 0.108 59.308 59.018 0.303 0.000 2.150 223 C CB -2.970 25.008 27.740 0.397 0.000 1.383 223 C HN 1.010 nan 8.230 nan 0.000 0.614 224 F N 1.863 121.934 119.950 0.201 0.000 2.087 224 F HA -0.204 4.323 4.527 -0.001 0.000 0.299 224 F C 1.936 177.849 175.800 0.188 0.000 1.100 224 F CA 2.472 60.590 58.000 0.197 0.000 1.226 224 F CB 0.003 39.107 39.000 0.173 0.000 0.983 224 F HN 0.449 nan 8.300 nan 0.000 0.479 225 D N -0.471 120.159 120.400 0.383 0.000 2.123 225 D HA -0.162 4.478 4.640 -0.001 0.000 0.196 225 D C 2.452 178.815 176.300 0.106 0.000 0.992 225 D CA 1.668 55.822 54.000 0.257 0.000 0.833 225 D CB -0.511 40.447 40.800 0.263 0.000 0.954 225 D HN 0.244 nan 8.370 nan 0.000 0.455 226 S N -0.507 115.277 115.700 0.141 0.000 2.453 226 S HA -0.111 4.359 4.470 -0.001 0.000 0.231 226 S C 2.054 176.606 174.600 -0.081 0.000 1.005 226 S CA 1.371 59.563 58.200 -0.015 0.000 0.949 226 S CB -0.283 62.940 63.200 0.038 0.000 0.774 226 S HN 0.535 nan 8.310 nan 0.000 0.510 227 T N -0.157 114.436 114.554 0.065 0.000 3.035 227 T HA 0.077 4.426 4.350 -0.001 0.000 0.268 227 T C 0.646 175.264 174.700 -0.137 0.000 1.109 227 T CA 0.167 62.280 62.100 0.021 0.000 1.119 227 T CB -0.469 68.373 68.868 -0.043 0.000 0.900 227 T HN 0.054 nan 8.240 nan 0.000 0.503 228 V N 3.919 123.717 119.914 -0.193 0.000 2.479 228 V HA 0.330 4.450 4.120 -0.001 0.000 0.281 228 V C 1.100 177.137 176.094 -0.095 0.000 1.031 228 V CA -0.247 61.961 62.300 -0.153 0.000 1.038 228 V CB 0.143 31.913 31.823 -0.088 0.000 0.981 228 V HN 0.722 nan 8.190 nan 0.000 0.478 229 T N 0.748 115.259 114.554 -0.071 0.000 2.912 229 T HA 0.326 4.675 4.350 -0.001 0.000 0.280 229 T C 1.046 175.730 174.700 -0.026 0.000 0.989 229 T CA -0.329 61.739 62.100 -0.054 0.000 0.995 229 T CB 1.566 70.399 68.868 -0.060 0.000 1.077 229 T HN 0.679 nan 8.240 nan 0.000 0.531 230 E N 0.579 120.774 120.200 -0.009 0.000 2.058 230 E HA -0.304 4.046 4.350 -0.001 0.000 0.194 230 E C 1.937 178.543 176.600 0.009 0.000 0.997 230 E CA 1.782 58.189 56.400 0.012 0.000 0.801 230 E CB -0.265 29.452 29.700 0.029 0.000 0.746 230 E HN 0.761 nan 8.360 nan 0.000 0.450 231 N N 0.785 119.482 118.700 -0.005 0.000 2.037 231 N HA -0.228 4.511 4.740 -0.001 0.000 0.196 231 N C 1.458 176.977 175.510 0.014 0.000 1.034 231 N CA 2.373 55.420 53.050 -0.005 0.000 0.861 231 N CB -0.222 38.242 38.487 -0.039 0.000 1.039 231 N HN 0.174 nan 8.380 nan 0.000 0.427 232 D N -0.117 120.288 120.400 0.009 0.000 2.123 232 D HA -0.131 4.508 4.640 -0.001 0.000 0.196 232 D C 2.016 178.324 176.300 0.014 0.000 0.992 232 D CA 1.093 55.110 54.000 0.028 0.000 0.833 232 D CB -0.317 40.491 40.800 0.014 0.000 0.954 232 D HN 0.479 nan 8.370 nan 0.000 0.455 233 I N 0.489 121.069 120.570 0.017 0.000 2.315 233 I HA -0.173 3.996 4.170 -0.001 0.000 0.248 233 I C 2.453 178.580 176.117 0.017 0.000 1.117 233 I CA 0.827 62.145 61.300 0.030 0.000 1.404 233 I CB -0.063 37.978 38.000 0.068 0.000 1.071 233 I HN -0.115 nan 8.210 nan 0.000 0.419 234 R N 0.053 120.562 120.500 0.015 0.000 2.090 234 R HA -0.064 4.276 4.340 -0.001 0.000 0.228 234 R C 2.327 178.606 176.300 -0.034 0.000 1.110 234 R CA 0.940 57.042 56.100 0.004 0.000 0.973 234 R CB -0.363 29.945 30.300 0.013 0.000 0.869 234 R HN 0.191 nan 8.270 nan 0.000 0.440 235 V N 1.502 121.398 119.914 -0.030 0.000 2.343 235 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 235 V C 1.930 177.931 176.094 -0.155 0.000 1.051 235 V CA 1.836 64.103 62.300 -0.055 0.000 1.036 235 V CB -0.398 31.428 31.823 0.006 0.000 0.654 235 V HN 0.339 nan 8.190 nan 0.000 0.451 236 E N -0.321 119.760 120.200 -0.197 0.000 2.058 236 E HA -0.270 4.080 4.350 -0.001 0.000 0.194 236 E C 2.367 178.489 176.600 -0.797 0.000 0.997 236 E CA 1.444 57.574 56.400 -0.450 0.000 0.801 236 E CB -0.201 29.294 29.700 -0.343 0.000 0.746 236 E HN 0.560 nan 8.360 nan 0.000 0.450 237 E N 0.635 120.590 120.200 -0.408 0.000 2.077 237 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 237 E C 2.166 178.682 176.600 -0.141 0.000 0.989 237 E CA 1.517 57.795 56.400 -0.202 0.000 0.800 237 E CB -0.008 29.720 29.700 0.048 0.000 0.746 237 E HN 0.245 nan 8.360 nan 0.000 0.452 238 S N 0.282 115.906 115.700 -0.127 0.000 2.399 238 S HA -0.139 4.330 4.470 -0.001 0.000 0.231 238 S C 2.150 176.695 174.600 -0.093 0.000 1.022 238 S CA 1.022 59.177 58.200 -0.075 0.000 0.983 238 S CB -0.565 62.600 63.200 -0.058 0.000 0.803 238 S HN 0.276 nan 8.310 nan 0.000 0.480 239 I N 0.226 120.683 120.570 -0.188 0.000 2.163 239 I HA -0.139 4.030 4.170 -0.001 0.000 0.240 239 I C 2.388 178.478 176.117 -0.045 0.000 1.081 239 I CA 1.393 62.598 61.300 -0.158 0.000 1.353 239 I CB -0.611 37.260 38.000 -0.215 0.000 1.054 239 I HN 0.207 nan 8.210 nan 0.000 0.407 240 Y N 1.161 121.454 120.300 -0.011 0.000 2.151 240 Y HA -0.267 4.283 4.550 -0.001 0.000 0.284 240 Y C 2.664 178.566 175.900 0.004 0.000 1.166 240 Y CA 0.843 58.941 58.100 -0.004 0.000 1.163 240 Y CB -1.159 37.312 38.460 0.019 0.000 0.974 240 Y HN 0.275 nan 8.280 nan 0.000 0.511 241 Q N -1.292 118.597 119.800 0.148 0.000 2.369 241 Q HA -0.102 4.237 4.340 -0.001 0.000 0.206 241 Q C 2.330 178.361 176.000 0.052 0.000 0.963 241 Q CA 0.931 56.788 55.803 0.090 0.000 0.894 241 Q CB -0.745 28.030 28.738 0.062 0.000 0.965 241 Q HN 0.531 nan 8.270 nan 0.000 0.475 242 C N 0.337 119.660 119.300 0.038 0.000 2.432 242 C HA -0.056 4.404 4.460 -0.001 0.000 0.282 242 C C 1.593 176.598 174.990 0.025 0.000 1.388 242 C CA -0.630 58.400 59.018 0.020 0.000 1.777 242 C CB -0.793 26.948 27.740 0.002 0.000 1.882 242 C HN 0.406 nan 8.230 nan 0.000 0.520 243 C N 1.850 121.175 119.300 0.042 0.000 2.689 243 C HA 0.123 4.582 4.460 -0.001 0.000 0.409 243 C C 0.600 175.608 174.990 0.030 0.000 1.293 243 C CA -0.290 58.747 59.018 0.033 0.000 2.136 243 C CB -0.256 27.509 27.740 0.041 0.000 2.719 243 C HN 0.491 nan 8.230 nan 0.000 0.644 244 D N 1.940 122.353 120.400 0.021 0.000 2.342 244 D HA 0.400 5.039 4.640 -0.001 0.000 0.260 244 D C -0.592 175.725 176.300 0.028 0.000 1.278 244 D CA 0.471 54.484 54.000 0.021 0.000 0.910 244 D CB -0.077 40.732 40.800 0.014 0.000 1.079 244 D HN 0.382 nan 8.370 nan 0.000 0.496 245 L N 2.019 123.263 121.223 0.036 0.000 2.371 245 L HA 0.630 4.970 4.340 -0.001 0.000 0.262 245 L C 0.303 177.202 176.870 0.047 0.000 1.006 245 L CA -1.451 53.416 54.840 0.046 0.000 0.818 245 L CB 1.863 43.956 42.059 0.057 0.000 1.354 245 L HN 0.283 nan 8.230 nan 0.000 0.415 246 A N 2.010 124.864 122.820 0.056 0.000 2.462 246 A HA 0.348 4.668 4.320 -0.001 0.000 0.243 246 A C -1.774 175.850 177.584 0.067 0.000 1.076 246 A CA -0.857 51.216 52.037 0.060 0.000 0.773 246 A CB -0.118 18.924 19.000 0.070 0.000 1.010 246 A HN 0.634 nan 8.150 nan 0.000 0.493 247 P HA -0.204 nan 4.420 nan 0.000 0.216 247 P C 1.282 178.618 177.300 0.059 0.000 1.150 247 P CA 1.699 64.828 63.100 0.048 0.000 0.843 247 P CB 0.228 31.951 31.700 0.038 0.000 0.787 248 E N -0.626 119.631 120.200 0.095 0.000 2.077 248 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 248 E C 1.963 178.664 176.600 0.168 0.000 0.989 248 E CA 1.095 57.581 56.400 0.144 0.000 0.800 248 E CB -0.427 29.421 29.700 0.245 0.000 0.746 248 E HN 0.082 nan 8.360 nan 0.000 0.452 249 A N 1.304 124.237 122.820 0.189 0.000 1.902 249 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 249 A C 2.117 179.757 177.584 0.093 0.000 1.181 249 A CA 1.384 53.532 52.037 0.185 0.000 0.623 249 A CB -0.441 18.652 19.000 0.154 0.000 0.818 249 A HN 0.162 nan 8.150 nan 0.000 0.443 250 R N -1.116 119.424 120.500 0.068 0.000 2.083 250 R HA -0.207 4.133 4.340 -0.001 0.000 0.237 250 R C 2.522 178.828 176.300 0.010 0.000 1.137 250 R CA 1.804 57.931 56.100 0.046 0.000 0.951 250 R CB -0.331 29.993 30.300 0.039 0.000 0.851 250 R HN 0.647 nan 8.270 nan 0.000 0.434 251 Q N 0.660 120.448 119.800 -0.020 0.000 2.050 251 Q HA -0.096 4.244 4.340 -0.001 0.000 0.202 251 Q C 1.953 177.864 176.000 -0.148 0.000 0.980 251 Q CA 2.044 57.802 55.803 -0.075 0.000 0.840 251 Q CB -0.265 28.421 28.738 -0.088 0.000 0.898 251 Q HN 0.346 nan 8.270 nan 0.000 0.424 252 A N 0.055 122.743 122.820 -0.221 0.000 1.933 252 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 252 A C 2.122 179.610 177.584 -0.160 0.000 1.175 252 A CA 1.539 53.360 52.037 -0.360 0.000 0.628 252 A CB -0.726 17.902 19.000 -0.620 0.000 0.814 252 A HN 0.486 nan 8.150 nan 0.000 0.444 253 I N -0.705 119.845 120.570 -0.033 0.000 2.202 253 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 253 I C 2.506 178.659 176.117 0.059 0.000 1.091 253 I CA 1.732 63.070 61.300 0.064 0.000 1.368 253 I CB -0.261 37.816 38.000 0.128 0.000 1.058 253 I HN 0.357 nan 8.210 nan 0.000 0.410 254 K N 0.580 120.994 120.400 0.022 0.000 2.020 254 K HA -0.266 4.054 4.320 -0.001 0.000 0.212 254 K C 2.392 178.969 176.600 -0.038 0.000 1.050 254 K CA 2.183 58.474 56.287 0.007 0.000 0.929 254 K CB -0.207 32.286 32.500 -0.011 0.000 0.714 254 K HN 0.141 nan 8.250 nan 0.000 0.443 255 S N 0.481 116.125 115.700 -0.093 0.000 2.356 255 S HA -0.094 4.376 4.470 -0.001 0.000 0.223 255 S C 1.974 176.473 174.600 -0.169 0.000 1.032 255 S CA 1.202 59.324 58.200 -0.131 0.000 1.005 255 S CB -0.253 62.838 63.200 -0.181 0.000 0.867 255 S HN 0.345 nan 8.310 nan 0.000 0.449 256 L N 0.721 121.814 121.223 -0.217 0.000 2.083 256 L HA -0.103 4.236 4.340 -0.001 0.000 0.209 256 L C 2.742 179.313 176.870 -0.499 0.000 1.083 256 L CA 1.514 56.107 54.840 -0.412 0.000 0.752 256 L CB -0.978 40.806 42.059 -0.459 0.000 0.899 256 L HN 0.345 nan 8.230 nan 0.000 0.433 257 T N -0.969 113.490 114.554 -0.159 0.000 2.674 257 T HA -0.159 4.191 4.350 -0.001 0.000 0.265 257 T C 1.789 176.485 174.700 -0.006 0.000 1.039 257 T CA 1.210 63.340 62.100 0.050 0.000 1.150 257 T CB -0.110 68.862 68.868 0.173 0.000 0.864 257 T HN 0.298 nan 8.240 nan 0.000 0.427 258 E N 1.050 121.230 120.200 -0.032 0.000 2.106 258 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 258 E C 2.349 178.927 176.600 -0.037 0.000 0.984 258 E CA 0.984 57.371 56.400 -0.022 0.000 0.806 258 E CB -0.118 29.566 29.700 -0.027 0.000 0.750 258 E HN 0.462 nan 8.360 nan 0.000 0.458 259 R N -0.626 119.822 120.500 -0.087 0.000 2.237 259 R HA 0.111 4.451 4.340 -0.001 0.000 0.195 259 R C 1.816 178.051 176.300 -0.108 0.000 0.956 259 R CA 0.243 56.292 56.100 -0.085 0.000 1.029 259 R CB 0.307 30.548 30.300 -0.099 0.000 0.972 259 R HN 0.041 nan 8.270 nan 0.000 0.493 260 L N -2.166 118.949 121.223 -0.179 0.000 2.691 260 L HA 0.190 4.530 4.340 -0.001 0.000 0.185 260 L C 1.231 178.077 176.870 -0.040 0.000 1.081 260 L CA 0.775 55.509 54.840 -0.177 0.000 0.865 260 L CB -0.266 41.604 42.059 -0.316 0.000 1.370 260 L HN -0.133 nan 8.230 nan 0.000 0.488 261 Y N 0.410 120.725 120.300 0.025 0.000 2.242 261 Y HA -0.033 4.517 4.550 -0.001 0.000 0.291 261 Y C 2.536 178.444 175.900 0.014 0.000 1.137 261 Y CA 1.420 59.544 58.100 0.038 0.000 1.181 261 Y CB -0.913 37.594 38.460 0.078 0.000 0.989 261 Y HN 0.131 nan 8.280 nan 0.000 0.527 262 I N -0.994 119.661 120.570 0.142 0.000 2.394 262 I HA -0.015 4.155 4.170 -0.001 0.000 0.251 262 I C 1.225 177.357 176.117 0.024 0.000 1.136 262 I CA 1.266 62.611 61.300 0.075 0.000 1.425 262 I CB -0.309 37.727 38.000 0.060 0.000 1.079 262 I HN 0.293 nan 8.210 nan 0.000 0.425 263 G N -1.008 107.785 108.800 -0.011 0.000 2.324 263 G HA2 0.484 4.444 3.960 -0.001 0.000 0.293 263 G HA3 0.484 4.444 3.960 -0.001 0.000 0.293 263 G C -1.041 173.706 174.900 -0.255 0.000 1.297 263 G CA -0.163 44.863 45.100 -0.123 0.000 0.853 263 G HN 0.393 nan 8.290 nan 0.000 0.535 264 G N -0.918 107.444 108.800 -0.730 0.000 2.328 264 G HA2 0.696 4.656 3.960 -0.001 0.000 0.299 264 G HA3 0.696 4.656 3.960 -0.001 0.000 0.299 264 G C -3.460 170.798 174.900 -1.071 0.000 1.435 264 G CA 0.031 44.660 45.100 -0.785 0.000 0.865 264 G HN 0.752 nan 8.290 nan 0.000 0.601 265 P HA 0.403 nan 4.420 nan 0.000 0.271 265 P C -0.489 176.707 177.300 -0.175 0.000 1.218 265 P CA -0.080 62.887 63.100 -0.222 0.000 0.780 265 P CB 1.095 32.797 31.700 0.003 0.000 0.901 266 L N 2.450 123.620 121.223 -0.087 0.000 2.313 266 L HA 0.434 4.773 4.340 -0.001 0.000 0.283 266 L C 0.454 177.328 176.870 0.007 0.000 1.013 266 L CA -0.183 54.638 54.840 -0.032 0.000 0.816 266 L CB 1.551 43.633 42.059 0.038 0.000 1.236 266 L HN 0.272 nan 8.230 nan 0.000 0.419 267 T N 1.594 116.130 114.554 -0.031 0.000 2.824 267 T HA 0.307 4.657 4.350 -0.001 0.000 0.282 267 T C -0.155 174.524 174.700 -0.035 0.000 0.993 267 T CA -0.843 61.242 62.100 -0.026 0.000 0.967 267 T CB 1.406 70.244 68.868 -0.051 0.000 0.960 267 T HN 0.639 nan 8.240 nan 0.000 0.441 268 N N 0.997 119.694 118.700 -0.004 0.000 2.327 268 N HA 0.070 4.809 4.740 -0.001 0.000 0.257 268 N C 1.416 176.914 175.510 -0.020 0.000 1.281 268 N CA -0.198 52.849 53.050 -0.005 0.000 0.942 268 N CB 0.179 38.673 38.487 0.013 0.000 1.199 268 N HN 0.458 nan 8.380 nan 0.000 0.532 269 S N -1.329 114.368 115.700 -0.005 0.000 2.507 269 S HA -0.068 4.401 4.470 -0.001 0.000 0.235 269 S C 0.914 175.509 174.600 -0.009 0.000 0.988 269 S CA 0.607 58.806 58.200 -0.001 0.000 0.944 269 S CB -0.415 62.798 63.200 0.021 0.000 0.762 269 S HN 0.641 nan 8.310 nan 0.000 0.526 270 K N 0.537 120.932 120.400 -0.007 0.000 2.404 270 K HA 0.291 4.611 4.320 -0.001 0.000 0.194 270 K C 1.183 177.774 176.600 -0.014 0.000 1.023 270 K CA 0.334 56.616 56.287 -0.008 0.000 1.094 270 K CB 0.030 32.529 32.500 -0.001 0.000 0.841 270 K HN 0.509 nan 8.250 nan 0.000 0.523 271 G N 1.796 110.583 108.800 -0.022 0.000 2.159 271 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.256 271 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.256 271 G C -0.208 174.686 174.900 -0.010 0.000 0.977 271 G CA 0.019 45.103 45.100 -0.026 0.000 0.652 271 G HN 0.362 nan 8.290 nan 0.000 0.531 272 Q N 0.078 119.878 119.800 0.001 0.000 2.230 272 Q HA 0.328 4.667 4.340 -0.001 0.000 0.248 272 Q C 0.366 176.383 176.000 0.028 0.000 0.915 272 Q CA -0.568 55.244 55.803 0.015 0.000 0.900 272 Q CB 0.974 29.724 28.738 0.020 0.000 1.229 272 Q HN 0.392 nan 8.270 nan 0.000 0.439 273 N N 1.571 120.294 118.700 0.040 0.000 2.420 273 N HA 0.012 4.752 4.740 -0.001 0.000 0.262 273 N C -0.215 175.351 175.510 0.093 0.000 1.144 273 N CA -0.366 52.719 53.050 0.059 0.000 0.952 273 N CB 0.570 39.093 38.487 0.060 0.000 1.081 273 N HN 0.608 nan 8.380 nan 0.000 0.480 274 C N 2.915 122.291 119.300 0.127 0.000 2.590 274 C HA 0.389 4.848 4.460 -0.001 0.000 0.272 274 C C 1.275 176.461 174.990 0.327 0.000 1.338 274 C CA 0.570 59.723 59.018 0.225 0.000 1.746 274 C CB -0.979 26.919 27.740 0.264 0.000 2.020 274 C HN 0.970 nan 8.230 nan 0.000 0.531 275 G N -1.495 107.417 108.800 0.186 0.000 2.403 275 G HA2 0.259 4.218 3.960 -0.001 0.000 0.223 275 G HA3 0.259 4.218 3.960 -0.001 0.000 0.223 275 G C -2.054 172.873 174.900 0.044 0.000 1.287 275 G CA -0.379 44.777 45.100 0.093 0.000 0.982 275 G HN 0.058 nan 8.290 nan 0.000 0.471 276 Y N 0.814 120.979 120.300 -0.225 0.000 2.441 276 Y HA 0.718 5.268 4.550 -0.001 0.000 0.334 276 Y C -0.046 175.714 175.900 -0.235 0.000 1.061 276 Y CA -0.806 57.189 58.100 -0.175 0.000 1.032 276 Y CB 1.852 40.225 38.460 -0.145 0.000 1.266 276 Y HN 0.699 nan 8.280 nan 0.000 0.441 277 R N 5.082 125.328 120.500 -0.423 0.000 2.346 277 R HA 0.537 4.876 4.340 -0.001 0.000 0.311 277 R C -0.692 175.414 176.300 -0.323 0.000 0.983 277 R CA -0.540 55.316 56.100 -0.408 0.000 0.880 277 R CB 0.870 31.012 30.300 -0.264 0.000 1.100 277 R HN 0.921 nan 8.270 nan 0.000 0.453 278 R N 3.311 123.603 120.500 -0.345 0.000 2.690 278 R HA 0.210 4.549 4.340 -0.001 0.000 0.419 278 R C -0.575 175.587 176.300 -0.230 0.000 1.090 278 R CA -0.327 55.666 56.100 -0.179 0.000 1.064 278 R CB 0.398 30.645 30.300 -0.088 0.000 1.391 278 R HN 0.783 nan 8.270 nan 0.000 0.586 279 C N -2.010 117.106 119.300 -0.308 0.000 3.308 279 C HA 0.608 5.068 4.460 -0.001 0.000 0.360 279 C C -0.208 174.717 174.990 -0.108 0.000 1.695 279 C CA -1.560 57.323 59.018 -0.225 0.000 1.366 279 C CB 1.180 28.723 27.740 -0.328 0.000 2.121 279 C HN 0.350 nan 8.230 nan 0.000 0.442 280 R N 1.267 121.751 120.500 -0.026 0.000 2.502 280 R HA 0.440 4.779 4.340 -0.001 0.000 0.292 280 R C 0.164 176.519 176.300 0.091 0.000 0.998 280 R CA 0.985 57.120 56.100 0.060 0.000 1.056 280 R CB -0.258 30.114 30.300 0.119 0.000 0.939 280 R HN 1.187 nan 8.270 nan 0.000 0.411 281 A N 3.787 126.674 122.820 0.111 0.000 2.409 281 A HA 0.197 4.516 4.320 -0.001 0.000 0.267 281 A C 1.083 178.765 177.584 0.162 0.000 1.127 281 A CA 0.178 52.302 52.037 0.146 0.000 0.795 281 A CB 0.322 19.417 19.000 0.159 0.000 1.061 281 A HN 1.021 nan 8.150 nan 0.000 0.502 282 S N 2.169 117.979 115.700 0.183 0.000 2.461 282 S HA 0.053 4.523 4.470 -0.001 0.000 0.228 282 S C 1.118 175.816 174.600 0.163 0.000 1.005 282 S CA 0.796 59.100 58.200 0.174 0.000 0.942 282 S CB 0.012 63.322 63.200 0.184 0.000 0.776 282 S HN 1.245 nan 8.310 nan 0.000 0.514 283 G N 1.967 110.886 108.800 0.198 0.000 4.486 283 G HA2 0.526 4.486 3.960 -0.001 0.000 0.306 283 G HA3 0.526 4.486 3.960 -0.001 0.000 0.306 283 G C -0.118 174.908 174.900 0.210 0.000 1.331 283 G CA -0.088 45.136 45.100 0.206 0.000 1.113 283 G HN 0.579 nan 8.290 nan 0.000 0.594 284 V N -2.561 117.457 119.914 0.173 0.000 3.113 284 V HA 0.589 4.709 4.120 -0.001 0.000 0.316 284 V C 1.334 177.499 176.094 0.119 0.000 1.125 284 V CA -0.959 61.457 62.300 0.192 0.000 1.026 284 V CB 1.645 33.642 31.823 0.290 0.000 1.080 284 V HN 0.064 nan 8.190 nan 0.000 0.444 285 L N 2.043 123.350 121.223 0.140 0.000 2.083 285 L HA -0.035 4.305 4.340 -0.001 0.000 0.209 285 L C 2.372 179.244 176.870 0.005 0.000 1.083 285 L CA 3.085 57.989 54.840 0.106 0.000 0.752 285 L CB -0.762 41.391 42.059 0.158 0.000 0.899 285 L HN 1.095 nan 8.230 nan 0.000 0.433 286 T N -5.717 108.755 114.554 -0.137 0.000 3.148 286 T HA -0.031 4.318 4.350 -0.001 0.000 0.253 286 T C 1.611 176.243 174.700 -0.113 0.000 1.134 286 T CA 0.813 62.783 62.100 -0.218 0.000 1.051 286 T CB -0.811 67.755 68.868 -0.503 0.000 0.959 286 T HN 0.299 nan 8.240 nan 0.000 0.525 287 T N 2.122 116.644 114.554 -0.053 0.000 2.635 287 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 287 T C 2.196 176.917 174.700 0.035 0.000 1.040 287 T CA 1.917 64.029 62.100 0.020 0.000 1.156 287 T CB -0.762 68.143 68.868 0.061 0.000 0.863 287 T HN 0.559 nan 8.240 nan 0.000 0.430 288 S N -0.350 115.345 115.700 -0.007 0.000 2.355 288 S HA -0.144 4.326 4.470 -0.001 0.000 0.222 288 S C 2.446 177.072 174.600 0.043 0.000 1.031 288 S CA 1.401 59.592 58.200 -0.015 0.000 0.993 288 S CB -0.948 62.140 63.200 -0.187 0.000 0.859 288 S HN 0.671 nan 8.310 nan 0.000 0.453 289 C N 1.285 120.582 119.300 -0.004 0.000 2.432 289 C HA 0.109 4.569 4.460 -0.001 0.000 0.277 289 C C 2.831 177.875 174.990 0.090 0.000 1.249 289 C CA 1.094 60.128 59.018 0.026 0.000 1.725 289 C CB -1.808 25.910 27.740 -0.037 0.000 2.028 289 C HN 0.714 nan 8.230 nan 0.000 0.477 290 G N 0.552 109.414 108.800 0.103 0.000 2.421 290 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 290 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 290 G C 1.515 176.512 174.900 0.162 0.000 1.171 290 G CA 1.145 46.316 45.100 0.119 0.000 0.775 290 G HN 0.585 nan 8.290 nan 0.000 0.543 291 N N 0.403 119.214 118.700 0.185 0.000 2.084 291 N HA -0.085 4.655 4.740 -0.001 0.000 0.190 291 N C 2.431 178.021 175.510 0.133 0.000 1.030 291 N CA 1.690 54.888 53.050 0.246 0.000 0.849 291 N CB -0.828 37.729 38.487 0.116 0.000 1.012 291 N HN 0.256 nan 8.380 nan 0.000 0.423 292 T N 1.724 116.349 114.554 0.118 0.000 2.708 292 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 292 T C 2.134 176.925 174.700 0.151 0.000 1.037 292 T CA 0.767 62.948 62.100 0.135 0.000 1.146 292 T CB -0.347 68.666 68.868 0.242 0.000 0.865 292 T HN 0.129 nan 8.240 nan 0.000 0.435 293 L N 0.593 121.884 121.223 0.114 0.000 2.017 293 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 293 L C 2.964 179.931 176.870 0.160 0.000 1.073 293 L CA 1.299 56.194 54.840 0.091 0.000 0.745 293 L CB -1.023 41.046 42.059 0.016 0.000 0.894 293 L HN 0.288 nan 8.230 nan 0.000 0.432 294 T N -1.392 113.276 114.554 0.189 0.000 2.777 294 T HA -0.232 4.118 4.350 -0.001 0.000 0.266 294 T C 2.025 176.918 174.700 0.322 0.000 1.040 294 T CA 1.431 63.671 62.100 0.233 0.000 1.141 294 T CB -0.488 68.541 68.868 0.268 0.000 0.868 294 T HN 0.449 nan 8.240 nan 0.000 0.444 295 C N 0.685 120.233 119.300 0.413 0.000 2.413 295 C HA -0.125 4.335 4.460 -0.001 0.000 0.276 295 C C 2.395 177.534 174.990 0.247 0.000 1.236 295 C CA 0.694 59.925 59.018 0.354 0.000 1.735 295 C CB -1.393 26.422 27.740 0.126 0.000 2.031 295 C HN 0.656 nan 8.230 nan 0.000 0.474 296 Y N 0.901 121.259 120.300 0.098 0.000 2.181 296 Y HA -0.125 4.425 4.550 -0.001 0.000 0.288 296 Y C 2.175 178.092 175.900 0.028 0.000 1.146 296 Y CA 2.099 60.236 58.100 0.061 0.000 1.164 296 Y CB -0.547 37.936 38.460 0.039 0.000 0.982 296 Y HN 0.350 nan 8.280 nan 0.000 0.515 297 L N 1.069 122.360 121.223 0.113 0.000 1.994 297 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 297 L C 2.130 178.909 176.870 -0.151 0.000 1.071 297 L CA 2.026 56.817 54.840 -0.082 0.000 0.745 297 L CB -0.923 41.065 42.059 -0.120 0.000 0.892 297 L HN 0.133 nan 8.230 nan 0.000 0.431 298 K N -0.418 119.958 120.400 -0.040 0.000 2.057 298 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 298 K C 2.065 178.675 176.600 0.017 0.000 1.049 298 K CA 1.434 57.697 56.287 -0.040 0.000 0.931 298 K CB -0.425 32.142 32.500 0.112 0.000 0.714 298 K HN 0.517 nan 8.250 nan 0.000 0.440 299 A N 0.917 123.742 122.820 0.008 0.000 1.929 299 A HA -0.101 4.219 4.320 -0.001 0.000 0.216 299 A C 2.191 179.786 177.584 0.019 0.000 1.176 299 A CA 1.557 53.616 52.037 0.037 0.000 0.628 299 A CB -0.402 18.696 19.000 0.163 0.000 0.816 299 A HN 0.155 nan 8.150 nan 0.000 0.444 300 S N 0.107 115.705 115.700 -0.170 0.000 2.368 300 S HA -0.056 4.413 4.470 -0.001 0.000 0.225 300 S C 2.282 176.821 174.600 -0.101 0.000 1.030 300 S CA 1.216 59.280 58.200 -0.227 0.000 0.999 300 S CB -0.423 62.485 63.200 -0.488 0.000 0.844 300 S HN 0.779 nan 8.310 nan 0.000 0.459 301 A N 1.539 124.320 122.820 -0.066 0.000 1.898 301 A HA 0.196 4.516 4.320 -0.001 0.000 0.216 301 A C 2.358 179.992 177.584 0.084 0.000 1.181 301 A CA 1.548 53.612 52.037 0.045 0.000 0.620 301 A CB -1.052 18.007 19.000 0.098 0.000 0.819 301 A HN 0.504 nan 8.150 nan 0.000 0.442 302 A N -0.966 121.905 122.820 0.085 0.000 1.933 302 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 302 A C 2.274 179.868 177.584 0.017 0.000 1.175 302 A CA 1.679 53.621 52.037 -0.157 0.000 0.628 302 A CB -1.265 17.245 19.000 -0.817 0.000 0.814 302 A HN 0.590 nan 8.150 nan 0.000 0.444 303 C N -0.981 118.431 119.300 0.187 0.000 2.429 303 C HA -0.086 4.374 4.460 -0.001 0.000 0.277 303 C C 2.892 177.899 174.990 0.028 0.000 1.262 303 C CA 1.106 60.265 59.018 0.235 0.000 1.733 303 C CB -1.282 26.553 27.740 0.159 0.000 2.010 303 C HN 0.611 nan 8.230 nan 0.000 0.483 304 R N 1.026 121.446 120.500 -0.133 0.000 2.073 304 R HA -0.099 4.241 4.340 -0.001 0.000 0.234 304 R C 2.431 178.478 176.300 -0.421 0.000 1.134 304 R CA 1.622 57.505 56.100 -0.361 0.000 0.952 304 R CB -0.586 29.319 30.300 -0.659 0.000 0.850 304 R HN 0.538 nan 8.270 nan 0.000 0.433 305 A N 1.379 123.986 122.820 -0.356 0.000 1.908 305 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 305 A C 2.293 179.876 177.584 -0.002 0.000 1.181 305 A CA 1.786 53.783 52.037 -0.067 0.000 0.627 305 A CB -0.569 18.442 19.000 0.018 0.000 0.818 305 A HN 0.409 nan 8.150 nan 0.000 0.445 306 A N -1.192 121.642 122.820 0.022 0.000 2.167 306 A HA 0.172 4.492 4.320 -0.001 0.000 0.214 306 A C 1.034 178.644 177.584 0.043 0.000 1.151 306 A CA 0.967 53.043 52.037 0.064 0.000 0.735 306 A CB -0.483 18.617 19.000 0.165 0.000 0.802 306 A HN 0.546 nan 8.150 nan 0.000 0.467 307 K N -0.806 119.605 120.400 0.017 0.000 3.096 307 K HA -0.160 4.160 4.320 -0.001 0.000 0.266 307 K C -0.723 175.890 176.600 0.021 0.000 1.043 307 K CA 0.430 56.723 56.287 0.011 0.000 0.758 307 K CB -2.123 30.389 32.500 0.019 0.000 1.260 307 K HN 0.548 nan 8.250 nan 0.000 0.481 308 L N 1.121 122.366 121.223 0.037 0.000 2.490 308 L HA 0.035 4.374 4.340 -0.001 0.000 0.274 308 L C 1.064 177.944 176.870 0.017 0.000 1.201 308 L CA 0.284 55.147 54.840 0.039 0.000 0.869 308 L CB 0.377 42.478 42.059 0.070 0.000 1.123 308 L HN 0.283 nan 8.230 nan 0.000 0.484 309 Q N 2.881 122.685 119.800 0.007 0.000 2.274 309 Q HA 0.044 4.383 4.340 -0.001 0.000 0.256 309 Q C -0.306 175.684 176.000 -0.017 0.000 0.927 309 Q CA -0.533 55.266 55.803 -0.006 0.000 0.939 309 Q CB 0.840 29.572 28.738 -0.010 0.000 1.201 309 Q HN 0.580 nan 8.270 nan 0.000 0.426 310 D N 2.274 122.664 120.400 -0.016 0.000 2.735 310 D HA -0.190 4.450 4.640 -0.001 0.000 0.235 310 D C -1.051 175.230 176.300 -0.032 0.000 1.175 310 D CA 0.729 54.714 54.000 -0.024 0.000 0.683 310 D CB -1.144 39.634 40.800 -0.037 0.000 1.008 310 D HN 0.573 nan 8.370 nan 0.000 0.416 311 C N -0.254 119.035 119.300 -0.019 0.000 2.370 311 C HA 0.893 5.353 4.460 -0.001 0.000 0.354 311 C C 0.501 175.483 174.990 -0.013 0.000 1.218 311 C CA -0.611 58.390 59.018 -0.027 0.000 2.154 311 C CB 1.568 29.297 27.740 -0.018 0.000 2.391 311 C HN 0.436 nan 8.230 nan 0.000 0.540 312 T N 3.802 118.339 114.554 -0.028 0.000 2.848 312 T HA 0.558 4.907 4.350 -0.001 0.000 0.285 312 T C -0.426 174.286 174.700 0.019 0.000 0.995 312 T CA -0.171 61.943 62.100 0.022 0.000 0.970 312 T CB 1.293 70.143 68.868 -0.029 0.000 0.976 312 T HN 0.762 nan 8.240 nan 0.000 0.441 313 M N 2.808 122.473 119.600 0.109 0.000 2.537 313 M HA 0.668 5.147 4.480 -0.001 0.000 0.324 313 M C -1.299 175.135 176.300 0.222 0.000 1.187 313 M CA -1.034 54.324 55.300 0.098 0.000 0.993 313 M CB 1.851 34.505 32.600 0.091 0.000 1.666 313 M HN 0.355 nan 8.290 nan 0.000 0.461 314 L N 2.701 124.012 121.223 0.147 0.000 2.406 314 L HA 0.722 5.062 4.340 -0.001 0.000 0.272 314 L C -1.669 175.226 176.870 0.041 0.000 0.980 314 L CA -0.463 54.473 54.840 0.160 0.000 0.831 314 L CB 1.919 44.105 42.059 0.212 0.000 1.253 314 L HN 0.470 nan 8.230 nan 0.000 0.406 315 V N 4.139 124.054 119.914 0.002 0.000 2.577 315 V HA 0.591 4.711 4.120 -0.001 0.000 0.303 315 V C -0.903 175.047 176.094 -0.241 0.000 1.042 315 V CA -0.640 61.637 62.300 -0.038 0.000 0.872 315 V CB 2.048 33.941 31.823 0.116 0.000 0.998 315 V HN 0.796 nan 8.190 nan 0.000 0.423 316 N N 3.407 121.909 118.700 -0.330 0.000 2.576 316 N HA 0.626 5.366 4.740 -0.001 0.000 0.269 316 N C 0.565 175.959 175.510 -0.193 0.000 1.058 316 N CA 0.534 53.182 53.050 -0.669 0.000 0.860 316 N CB 1.815 39.752 38.487 -0.917 0.000 1.249 316 N HN 1.079 nan 8.380 nan 0.000 0.525 317 G N 2.505 111.343 108.800 0.063 0.000 2.629 317 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.313 317 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.313 317 G C 0.556 175.311 174.900 -0.243 0.000 1.217 317 G CA 0.867 45.983 45.100 0.026 0.000 0.994 317 G HN 0.642 nan 8.290 nan 0.000 0.549 318 D N 1.207 121.375 120.400 -0.387 0.000 2.340 318 D HA 0.117 4.756 4.640 -0.001 0.000 0.220 318 D C 0.375 176.519 176.300 -0.260 0.000 1.039 318 D CA 0.778 54.340 54.000 -0.730 0.000 0.866 318 D CB -0.096 40.232 40.800 -0.785 0.000 0.913 318 D HN 0.416 nan 8.370 nan 0.000 0.523 319 D N 0.531 120.849 120.400 -0.137 0.000 2.249 319 D HA 0.317 4.957 4.640 -0.001 0.000 0.246 319 D C -1.033 175.249 176.300 -0.030 0.000 1.114 319 D CA -0.555 53.414 54.000 -0.051 0.000 0.854 319 D CB 1.342 42.108 40.800 -0.057 0.000 1.132 319 D HN 0.039 nan 8.370 nan 0.000 0.461 320 L N 5.147 126.394 121.223 0.039 0.000 2.409 320 L HA 0.459 4.798 4.340 -0.001 0.000 0.272 320 L C -1.713 175.151 176.870 -0.011 0.000 0.980 320 L CA -0.726 54.146 54.840 0.053 0.000 0.826 320 L CB 1.809 43.973 42.059 0.175 0.000 1.268 320 L HN 0.127 nan 8.230 nan 0.000 0.407 321 V N 6.181 126.044 119.914 -0.086 0.000 2.656 321 V HA 0.798 4.917 4.120 -0.001 0.000 0.307 321 V C -1.329 174.580 176.094 -0.308 0.000 1.051 321 V CA -0.345 61.833 62.300 -0.204 0.000 0.893 321 V CB 2.261 34.004 31.823 -0.134 0.000 0.999 321 V HN 0.588 nan 8.190 nan 0.000 0.426 322 V N 7.711 127.240 119.914 -0.642 0.000 2.555 322 V HA 0.592 4.712 4.120 -0.001 0.000 0.302 322 V C -0.288 175.545 176.094 -0.434 0.000 1.038 322 V CA -0.493 61.441 62.300 -0.611 0.000 0.887 322 V CB 1.805 33.047 31.823 -0.968 0.000 0.991 322 V HN 0.770 nan 8.190 nan 0.000 0.434 323 I N 4.739 125.182 120.570 -0.211 0.000 2.436 323 I HA 0.684 4.854 4.170 -0.001 0.000 0.289 323 I C -0.048 176.003 176.117 -0.111 0.000 1.010 323 I CA -0.302 60.938 61.300 -0.101 0.000 1.098 323 I CB 1.672 39.658 38.000 -0.023 0.000 1.266 323 I HN 0.899 nan 8.210 nan 0.000 0.434 324 C N 2.217 121.454 119.300 -0.104 0.000 3.336 324 C HA 0.673 5.132 4.460 -0.001 0.000 0.352 324 C C -0.345 174.570 174.990 -0.126 0.000 1.567 324 C CA -0.874 58.092 59.018 -0.088 0.000 1.328 324 C CB 1.402 29.129 27.740 -0.021 0.000 1.922 324 C HN 0.703 nan 8.230 nan 0.000 0.439 325 E N 1.410 121.557 120.200 -0.089 0.000 2.223 325 E HA 0.436 4.785 4.350 -0.001 0.000 0.282 325 E C 0.096 176.670 176.600 -0.044 0.000 1.046 325 E CA 0.496 56.843 56.400 -0.088 0.000 0.857 325 E CB 1.042 30.703 29.700 -0.066 0.000 1.055 325 E HN 0.781 nan 8.360 nan 0.000 0.409 326 S N 3.002 118.682 115.700 -0.033 0.000 2.549 326 S HA 0.373 4.842 4.470 -0.001 0.000 0.279 326 S C 0.284 174.895 174.600 0.018 0.000 1.321 326 S CA 0.160 58.385 58.200 0.041 0.000 1.054 326 S CB 0.588 63.864 63.200 0.126 0.000 0.899 326 S HN 0.562 nan 8.310 nan 0.000 0.497 327 A N 3.669 126.507 122.820 0.031 0.000 2.630 327 A HA 0.655 4.975 4.320 -0.001 0.000 0.290 327 A C 0.873 178.464 177.584 0.011 0.000 1.267 327 A CA 0.159 52.203 52.037 0.012 0.000 0.950 327 A CB -0.965 18.041 19.000 0.010 0.000 1.144 327 A HN 1.875 nan 8.150 nan 0.000 0.527 328 G N -1.155 107.654 108.800 0.014 0.000 2.663 328 G HA2 0.033 3.992 3.960 -0.001 0.000 0.686 328 G HA3 0.033 3.992 3.960 -0.001 0.000 0.686 328 G C 0.641 175.553 174.900 0.019 0.000 1.246 328 G CA 0.204 45.296 45.100 -0.012 0.000 0.795 328 G HN 1.253 nan 8.290 nan 0.000 0.627 329 T N -2.199 112.340 114.554 -0.025 0.000 2.821 329 T HA -0.099 4.251 4.350 -0.001 0.000 0.267 329 T C 1.990 176.724 174.700 0.057 0.000 1.046 329 T CA 2.241 64.360 62.100 0.032 0.000 1.139 329 T CB -0.142 68.701 68.868 -0.042 0.000 0.871 329 T HN 0.579 nan 8.240 nan 0.000 0.454 330 Q N 0.783 120.596 119.800 0.022 0.000 2.083 330 Q HA -0.036 4.303 4.340 -0.001 0.000 0.198 330 Q C 2.349 178.360 176.000 0.018 0.000 0.969 330 Q CA 1.538 57.352 55.803 0.017 0.000 0.838 330 Q CB -0.244 28.497 28.738 0.005 0.000 0.900 330 Q HN 0.667 nan 8.270 nan 0.000 0.436 331 E N 0.907 121.118 120.200 0.019 0.000 2.150 331 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 331 E C 1.561 178.172 176.600 0.019 0.000 0.985 331 E CA 1.046 57.455 56.400 0.015 0.000 0.814 331 E CB -0.016 29.692 29.700 0.013 0.000 0.752 331 E HN 0.276 nan 8.360 nan 0.000 0.466 332 D N 0.153 120.578 120.400 0.042 0.000 2.103 332 D HA -0.064 4.575 4.640 -0.001 0.000 0.199 332 D C 1.904 178.197 176.300 -0.012 0.000 0.978 332 D CA 1.391 55.412 54.000 0.036 0.000 0.829 332 D CB -0.397 40.477 40.800 0.123 0.000 0.981 332 D HN 0.186 nan 8.370 nan 0.000 0.464 333 A N 1.274 124.101 122.820 0.012 0.000 1.908 333 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 333 A C 2.326 179.893 177.584 -0.028 0.000 1.181 333 A CA 2.509 54.538 52.037 -0.013 0.000 0.627 333 A CB -0.823 18.184 19.000 0.011 0.000 0.818 333 A HN 0.241 nan 8.150 nan 0.000 0.445 334 A N -0.610 122.203 122.820 -0.012 0.000 1.883 334 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 334 A C 2.461 180.036 177.584 -0.016 0.000 1.186 334 A CA 2.212 54.242 52.037 -0.010 0.000 0.624 334 A CB -0.979 18.020 19.000 -0.002 0.000 0.822 334 A HN 0.474 nan 8.150 nan 0.000 0.444 335 S N -0.076 115.609 115.700 -0.024 0.000 2.368 335 S HA -0.084 4.385 4.470 -0.001 0.000 0.225 335 S C 1.797 176.367 174.600 -0.049 0.000 1.030 335 S CA 1.427 59.613 58.200 -0.023 0.000 0.999 335 S CB -0.404 62.780 63.200 -0.027 0.000 0.844 335 S HN 0.499 nan 8.310 nan 0.000 0.459 336 L N 0.844 121.979 121.223 -0.148 0.000 2.141 336 L HA -0.031 4.309 4.340 -0.001 0.000 0.209 336 L C 2.635 179.480 176.870 -0.041 0.000 1.094 336 L CA 1.120 55.812 54.840 -0.246 0.000 0.763 336 L CB -0.621 41.195 42.059 -0.405 0.000 0.908 336 L HN 0.279 nan 8.230 nan 0.000 0.437 337 R N -0.293 120.193 120.500 -0.025 0.000 2.081 337 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 337 R C 2.271 178.585 176.300 0.023 0.000 1.131 337 R CA 1.172 57.278 56.100 0.009 0.000 0.960 337 R CB -0.348 29.951 30.300 -0.003 0.000 0.856 337 R HN 0.195 nan 8.270 nan 0.000 0.436 338 V N 0.575 120.502 119.914 0.022 0.000 2.323 338 V HA -0.225 3.895 4.120 -0.001 0.000 0.244 338 V C 1.911 178.014 176.094 0.014 0.000 1.041 338 V CA 1.598 63.905 62.300 0.012 0.000 1.025 338 V CB -0.582 31.250 31.823 0.015 0.000 0.656 338 V HN 0.205 nan 8.190 nan 0.000 0.451 339 F N 1.643 121.541 119.950 -0.088 0.000 2.063 339 F HA -0.300 4.227 4.527 -0.001 0.000 0.298 339 F C 2.475 178.214 175.800 -0.103 0.000 1.109 339 F CA 2.576 60.520 58.000 -0.094 0.000 1.212 339 F CB -0.605 38.328 39.000 -0.111 0.000 0.973 339 F HN 0.135 nan 8.300 nan 0.000 0.480 340 T N -0.042 114.598 114.554 0.142 0.000 2.720 340 T HA -0.220 4.130 4.350 -0.001 0.000 0.268 340 T C 1.686 176.373 174.700 -0.022 0.000 1.037 340 T CA 1.804 63.990 62.100 0.143 0.000 1.144 340 T CB -0.415 68.599 68.868 0.244 0.000 0.864 340 T HN 0.398 nan 8.240 nan 0.000 0.444 341 E N 1.040 121.206 120.200 -0.056 0.000 2.085 341 E HA -0.104 4.246 4.350 -0.001 0.000 0.194 341 E C 2.553 179.018 176.600 -0.226 0.000 0.994 341 E CA 1.095 57.433 56.400 -0.105 0.000 0.801 341 E CB -0.262 29.389 29.700 -0.081 0.000 0.743 341 E HN 0.495 nan 8.360 nan 0.000 0.453 342 A N 1.174 123.801 122.820 -0.320 0.000 1.858 342 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 342 A C 2.159 179.296 177.584 -0.745 0.000 1.190 342 A CA 1.405 53.098 52.037 -0.574 0.000 0.617 342 A CB -0.384 18.314 19.000 -0.504 0.000 0.827 342 A HN 0.120 nan 8.150 nan 0.000 0.443 343 M N -0.131 119.149 119.600 -0.532 0.000 2.106 343 M HA -0.148 4.331 4.480 -0.001 0.000 0.259 343 M C 2.202 178.431 176.300 -0.118 0.000 1.068 343 M CA 2.236 57.359 55.300 -0.296 0.000 1.100 343 M CB -2.096 30.254 32.600 -0.417 0.000 1.351 343 M HN 0.477 nan 8.290 nan 0.000 0.404 344 T N -0.003 114.484 114.554 -0.112 0.000 2.746 344 T HA -0.132 4.218 4.350 -0.001 0.000 0.267 344 T C 1.966 176.609 174.700 -0.095 0.000 1.039 344 T CA 1.210 63.280 62.100 -0.050 0.000 1.142 344 T CB -0.223 68.624 68.868 -0.035 0.000 0.866 344 T HN 0.386 nan 8.240 nan 0.000 0.444 345 R N -0.042 120.331 120.500 -0.212 0.000 2.152 345 R HA -0.059 4.281 4.340 -0.001 0.000 0.232 345 R C 1.722 177.955 176.300 -0.111 0.000 1.117 345 R CA 1.059 57.032 56.100 -0.211 0.000 0.981 345 R CB -0.267 29.840 30.300 -0.322 0.000 0.870 345 R HN 0.429 nan 8.270 nan 0.000 0.451 346 Y N -0.293 119.946 120.300 -0.103 0.000 2.578 346 Y HA 0.044 4.594 4.550 -0.000 0.000 0.297 346 Y C 1.306 177.150 175.900 -0.093 0.000 1.176 346 Y CA -0.074 57.954 58.100 -0.120 0.000 1.315 346 Y CB -0.013 38.398 38.460 -0.081 0.000 1.031 346 Y HN 0.022 nan 8.280 nan 0.000 0.524 347 S N -1.493 114.247 115.700 0.067 0.000 2.827 347 S HA -0.173 4.297 4.470 -0.001 0.000 0.269 347 S C 0.371 175.006 174.600 0.058 0.000 1.323 347 S CA 0.529 58.754 58.200 0.043 0.000 1.176 347 S CB -1.566 61.642 63.200 0.014 0.000 1.436 347 S HN 0.572 nan 8.310 nan 0.000 0.673 348 A N 1.631 124.504 122.820 0.090 0.000 3.215 348 A HA 0.615 4.935 4.320 -0.001 0.000 0.320 348 A C -2.230 175.500 177.584 0.243 0.000 1.084 348 A CA -1.111 51.019 52.037 0.153 0.000 0.969 348 A CB 0.446 19.571 19.000 0.209 0.000 1.064 348 A HN 0.439 nan 8.150 nan 0.000 0.513 349 P HA 0.332 nan 4.420 nan 0.000 0.274 349 P C -2.948 174.426 177.300 0.123 0.000 1.237 349 P CA -1.367 61.818 63.100 0.142 0.000 0.793 349 P CB 0.547 32.261 31.700 0.023 0.000 0.977 350 P HA 0.152 nan 4.420 nan 0.000 0.282 350 P C 0.671 177.906 177.300 -0.108 0.000 1.259 350 P CA -0.077 62.907 63.100 -0.192 0.000 0.826 350 P CB 0.875 32.392 31.700 -0.306 0.000 1.064 351 G N 1.129 109.860 108.800 -0.115 0.000 2.654 351 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.215 351 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.215 351 G C -0.180 174.678 174.900 -0.070 0.000 1.310 351 G CA 0.124 45.183 45.100 -0.068 0.000 0.866 351 G HN 0.492 nan 8.290 nan 0.000 0.558 352 D N 2.643 122.999 120.400 -0.073 0.000 2.348 352 D HA 0.279 4.918 4.640 -0.001 0.000 0.253 352 D C -2.169 174.084 176.300 -0.079 0.000 1.161 352 D CA -0.937 53.027 54.000 -0.059 0.000 0.876 352 D CB 1.325 42.100 40.800 -0.042 0.000 1.160 352 D HN 0.107 nan 8.370 nan 0.000 0.459 353 P HA 0.138 nan 4.420 nan 0.000 0.271 353 P C -2.364 174.928 177.300 -0.013 0.000 1.216 353 P CA -1.047 62.037 63.100 -0.028 0.000 0.776 353 P CB -0.165 31.532 31.700 -0.006 0.000 0.881 354 P HA 0.095 nan 4.420 nan 0.000 0.272 354 P C -0.770 176.522 177.300 -0.014 0.000 1.223 354 P CA 0.144 63.275 63.100 0.051 0.000 0.784 354 P CB 0.614 32.392 31.700 0.130 0.000 0.923 355 Q N 1.175 120.977 119.800 0.003 0.000 2.372 355 Q HA 0.637 4.976 4.340 -0.001 0.000 0.273 355 Q C -2.943 173.040 176.000 -0.028 0.000 1.078 355 Q CA -2.522 53.267 55.803 -0.022 0.000 0.806 355 Q CB 1.437 30.177 28.738 0.004 0.000 1.332 355 Q HN 0.194 nan 8.270 nan 0.000 0.435 356 P HA 0.146 nan 4.420 nan 0.000 0.271 356 P C -1.023 176.124 177.300 -0.255 0.000 1.216 356 P CA -0.032 62.963 63.100 -0.175 0.000 0.771 356 P CB 0.762 32.352 31.700 -0.183 0.000 0.864 357 E N 1.517 121.526 120.200 -0.319 0.000 2.222 357 E HA 0.337 4.686 4.350 -0.001 0.000 0.267 357 E C -1.082 175.347 176.600 -0.286 0.000 0.884 357 E CA -0.519 55.747 56.400 -0.224 0.000 0.764 357 E CB 0.750 30.417 29.700 -0.056 0.000 1.169 357 E HN 0.333 nan 8.360 nan 0.000 0.413 358 Y N 0.972 121.403 120.300 0.219 0.000 2.481 358 Y HA 0.317 4.866 4.550 -0.001 0.000 0.247 358 Y C 0.018 176.136 175.900 0.364 0.000 1.151 358 Y CA -0.467 57.819 58.100 0.310 0.000 1.238 358 Y CB 1.015 39.571 38.460 0.161 0.000 1.179 358 Y HN 0.324 nan 8.280 nan 0.000 0.524 359 D N 0.501 121.043 120.400 0.237 0.000 2.471 359 D HA 0.114 4.753 4.640 -0.001 0.000 0.245 359 D C 0.764 176.872 176.300 -0.320 0.000 1.116 359 D CA -0.288 53.731 54.000 0.033 0.000 0.853 359 D CB 1.693 42.516 40.800 0.038 0.000 1.123 359 D HN 0.115 nan 8.370 nan 0.000 0.540 360 L N 4.471 125.199 121.223 -0.825 0.000 2.043 360 L HA -0.139 4.201 4.340 -0.001 0.000 0.212 360 L C 1.664 178.209 176.870 -0.542 0.000 1.075 360 L CA 2.014 56.171 54.840 -1.139 0.000 0.752 360 L CB -0.322 40.822 42.059 -1.525 0.000 0.891 360 L HN 0.515 nan 8.230 nan 0.000 0.432 361 E N -0.787 119.202 120.200 -0.352 0.000 2.265 361 E HA -0.179 4.171 4.350 -0.001 0.000 0.196 361 E C 1.924 178.433 176.600 -0.151 0.000 0.996 361 E CA 0.954 57.232 56.400 -0.203 0.000 0.832 361 E CB -0.181 29.451 29.700 -0.114 0.000 0.756 361 E HN 0.543 nan 8.360 nan 0.000 0.491 362 L N 0.873 122.007 121.223 -0.149 0.000 2.592 362 L HA 0.187 4.527 4.340 -0.001 0.000 0.227 362 L C 0.498 177.311 176.870 -0.094 0.000 1.127 362 L CA -0.157 54.629 54.840 -0.090 0.000 0.884 362 L CB 0.228 42.259 42.059 -0.046 0.000 1.065 362 L HN 0.026 nan 8.230 nan 0.000 0.457 363 I N 0.083 120.566 120.570 -0.145 0.000 2.325 363 I HA 0.126 4.296 4.170 -0.001 0.000 0.291 363 I C -0.008 176.053 176.117 -0.094 0.000 1.019 363 I CA 0.089 61.318 61.300 -0.118 0.000 1.302 363 I CB 1.389 39.289 38.000 -0.167 0.000 1.401 363 I HN -0.095 nan 8.210 nan 0.000 0.485 364 T N 5.077 119.599 114.554 -0.053 0.000 2.758 364 T HA 0.448 4.797 4.350 -0.001 0.000 0.285 364 T C -0.241 174.447 174.700 -0.021 0.000 0.981 364 T CA -0.602 61.478 62.100 -0.032 0.000 0.965 364 T CB 0.912 69.768 68.868 -0.019 0.000 0.927 364 T HN 0.719 nan 8.240 nan 0.000 0.448 365 S N 0.819 116.509 115.700 -0.016 0.000 2.548 365 S HA 0.437 4.906 4.470 -0.001 0.000 0.276 365 S C 0.068 174.674 174.600 0.010 0.000 1.129 365 S CA -0.860 57.333 58.200 -0.012 0.000 0.931 365 S CB 0.569 63.746 63.200 -0.038 0.000 1.068 365 S HN 0.905 nan 8.310 nan 0.000 0.480 366 C N 2.041 121.350 119.300 0.015 0.000 4.350 366 C HA -0.165 4.295 4.460 -0.001 0.000 0.302 366 C C 1.412 176.461 174.990 0.099 0.000 1.390 366 C CA 0.614 59.662 59.018 0.049 0.000 2.016 366 C CB -3.319 24.442 27.740 0.035 0.000 1.271 366 C HN 1.643 nan 8.230 nan 0.000 0.760 367 S N -1.975 113.768 115.700 0.073 0.000 3.270 367 S HA -0.206 4.263 4.470 -0.001 0.000 0.293 367 S C 0.319 174.963 174.600 0.073 0.000 1.278 367 S CA 1.407 59.648 58.200 0.070 0.000 1.038 367 S CB -0.845 62.410 63.200 0.092 0.000 1.218 367 S HN 1.068 nan 8.310 nan 0.000 0.659 368 S N 1.745 117.499 115.700 0.089 0.000 2.632 368 S HA 0.774 5.243 4.470 -0.001 0.000 0.289 368 S C -0.440 174.185 174.600 0.043 0.000 1.115 368 S CA -0.910 57.361 58.200 0.118 0.000 0.889 368 S CB 1.829 65.178 63.200 0.248 0.000 1.116 368 S HN 0.581 nan 8.310 nan 0.000 0.486 369 N N -0.767 117.948 118.700 0.025 0.000 2.416 369 N HA 0.399 5.138 4.740 -0.001 0.000 0.276 369 N C -1.449 174.003 175.510 -0.097 0.000 1.261 369 N CA -0.610 52.408 53.050 -0.053 0.000 0.790 369 N CB 1.037 39.480 38.487 -0.074 0.000 1.554 369 N HN 0.326 nan 8.380 nan 0.000 0.481 370 V N 0.616 120.436 119.914 -0.157 0.000 2.637 370 V HA 0.285 4.405 4.120 -0.001 0.000 0.296 370 V C 0.641 176.603 176.094 -0.221 0.000 1.046 370 V CA 0.204 62.384 62.300 -0.201 0.000 1.066 370 V CB 0.725 32.411 31.823 -0.229 0.000 0.968 370 V HN 0.831 nan 8.190 nan 0.000 0.483 371 S N 3.080 118.564 115.700 -0.361 0.000 2.740 371 S HA 0.788 5.258 4.470 -0.001 0.000 0.300 371 S C -1.195 173.303 174.600 -0.170 0.000 1.147 371 S CA -0.512 57.520 58.200 -0.280 0.000 0.871 371 S CB 2.079 65.099 63.200 -0.300 0.000 1.173 371 S HN 0.652 nan 8.310 nan 0.000 0.510 372 V N 1.321 121.252 119.914 0.029 0.000 2.656 372 V HA 0.953 5.072 4.120 -0.001 0.000 0.307 372 V C -0.140 175.998 176.094 0.075 0.000 1.051 372 V CA 0.240 62.528 62.300 -0.020 0.000 0.893 372 V CB 1.032 32.704 31.823 -0.252 0.000 0.999 372 V HN 1.223 nan 8.190 nan 0.000 0.426 373 A N 5.157 127.917 122.820 -0.100 0.000 2.539 373 A HA 0.859 5.179 4.320 -0.001 0.000 0.272 373 A C -1.054 176.209 177.584 -0.535 0.000 1.286 373 A CA -0.585 51.244 52.037 -0.347 0.000 0.792 373 A CB 1.655 20.192 19.000 -0.772 0.000 1.355 373 A HN 0.909 nan 8.150 nan 0.000 0.472 374 H N 0.287 118.999 119.070 -0.596 0.000 2.679 374 H HA 0.350 4.906 4.556 -0.001 0.000 0.360 374 H C -1.137 173.826 175.328 -0.609 0.000 1.105 374 H CA -0.445 55.258 56.048 -0.576 0.000 1.196 374 H CB 1.904 31.288 29.762 -0.630 0.000 1.636 374 H HN 0.913 nan 8.280 nan 0.000 0.531 375 D N 1.039 121.312 120.400 -0.212 0.000 2.478 375 D HA 0.186 4.825 4.640 -0.001 0.000 0.274 375 D C 1.328 177.689 176.300 0.100 0.000 1.234 375 D CA -0.411 53.540 54.000 -0.082 0.000 1.069 375 D CB 0.373 41.137 40.800 -0.060 0.000 1.113 375 D HN 0.430 nan 8.370 nan 0.000 0.571 376 A N -0.410 122.481 122.820 0.119 0.000 1.972 376 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 376 A C 2.056 179.712 177.584 0.120 0.000 1.169 376 A CA 2.288 54.410 52.037 0.143 0.000 0.635 376 A CB -1.157 17.895 19.000 0.087 0.000 0.810 376 A HN 0.612 nan 8.150 nan 0.000 0.446 377 S N -2.348 113.405 115.700 0.088 0.000 2.496 377 S HA 0.357 4.827 4.470 -0.001 0.000 0.224 377 S C 1.459 176.113 174.600 0.090 0.000 0.996 377 S CA 1.200 59.441 58.200 0.069 0.000 0.927 377 S CB -0.082 63.144 63.200 0.042 0.000 0.774 377 S HN 1.886 nan 8.310 nan 0.000 0.524 378 G N 0.955 109.837 108.800 0.137 0.000 2.179 378 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.220 378 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.220 378 G C -0.044 174.978 174.900 0.204 0.000 0.990 378 G CA 0.040 45.243 45.100 0.172 0.000 0.646 378 G HN 0.755 nan 8.290 nan 0.000 0.517 379 K N 1.173 121.614 120.400 0.068 0.000 2.350 379 K HA 0.448 4.768 4.320 -0.001 0.000 0.279 379 K C 0.810 177.271 176.600 -0.232 0.000 1.027 379 K CA -0.598 55.671 56.287 -0.030 0.000 0.969 379 K CB 0.283 32.756 32.500 -0.045 0.000 0.954 379 K HN 0.281 nan 8.250 nan 0.000 0.474 380 R N 2.006 122.273 120.500 -0.387 0.000 2.522 380 R HA 0.092 4.432 4.340 -0.001 0.000 0.284 380 R C -0.804 175.182 176.300 -0.524 0.000 1.032 380 R CA -0.133 55.552 56.100 -0.692 0.000 1.049 380 R CB 0.668 30.618 30.300 -0.583 0.000 0.956 380 R HN 0.284 nan 8.270 nan 0.000 0.422 381 V N 5.044 124.624 119.914 -0.556 0.000 2.531 381 V HA 0.253 4.372 4.120 -0.001 0.000 0.301 381 V C -0.990 174.915 176.094 -0.314 0.000 1.034 381 V CA -0.853 61.243 62.300 -0.339 0.000 0.865 381 V CB 1.376 33.066 31.823 -0.220 0.000 0.995 381 V HN 0.574 nan 8.190 nan 0.000 0.424 382 Y N 5.231 125.522 120.300 -0.015 0.000 2.320 382 Y HA 0.671 5.221 4.550 -0.001 0.000 0.324 382 Y C 0.008 175.970 175.900 0.102 0.000 1.190 382 Y CA -0.318 57.784 58.100 0.004 0.000 1.215 382 Y CB 1.198 39.616 38.460 -0.070 0.000 1.221 382 Y HN 0.721 nan 8.280 nan 0.000 0.486 383 Y N 0.181 120.543 120.300 0.103 0.000 2.638 383 Y HA 0.651 5.200 4.550 -0.001 0.000 0.335 383 Y C -2.192 173.765 175.900 0.094 0.000 1.155 383 Y CA -1.971 56.168 58.100 0.064 0.000 1.046 383 Y CB 0.632 39.101 38.460 0.015 0.000 1.303 383 Y HN 0.470 nan 8.280 nan 0.000 0.460 384 L N 2.265 123.545 121.223 0.094 0.000 2.292 384 L HA 0.723 5.063 4.340 -0.001 0.000 0.284 384 L C 0.058 177.102 176.870 0.290 0.000 1.065 384 L CA 0.538 55.430 54.840 0.087 0.000 0.806 384 L CB 1.268 43.405 42.059 0.129 0.000 1.175 384 L HN 1.020 nan 8.230 nan 0.000 0.431 385 T N 4.405 119.087 114.554 0.214 0.000 2.804 385 T HA 0.873 5.222 4.350 -0.001 0.000 0.290 385 T C -1.164 173.674 174.700 0.230 0.000 1.099 385 T CA -0.643 61.672 62.100 0.357 0.000 1.011 385 T CB 1.145 70.176 68.868 0.271 0.000 1.291 385 T HN 0.837 nan 8.240 nan 0.000 0.523 386 R N 0.510 121.078 120.500 0.114 0.000 2.716 386 R HA 0.448 4.788 4.340 -0.001 0.000 0.271 386 R C -1.480 174.660 176.300 -0.266 0.000 1.028 386 R CA -0.985 55.057 56.100 -0.097 0.000 0.883 386 R CB 0.483 30.650 30.300 -0.221 0.000 1.250 386 R HN 0.524 nan 8.270 nan 0.000 0.465 387 D N 2.057 122.303 120.400 -0.256 0.000 2.472 387 D HA 0.030 4.670 4.640 -0.001 0.000 0.248 387 D C -1.343 174.604 176.300 -0.588 0.000 1.174 387 D CA -1.112 52.687 54.000 -0.335 0.000 0.883 387 D CB 1.229 41.914 40.800 -0.191 0.000 1.149 387 D HN 0.350 nan 8.370 nan 0.000 0.488 388 P HA 0.005 nan 4.420 nan 0.000 0.249 388 P C 1.144 178.128 177.300 -0.526 0.000 1.229 388 P CA 0.168 62.601 63.100 -1.113 0.000 0.788 388 P CB 0.288 31.226 31.700 -1.270 0.000 1.072 389 T N -0.214 114.148 114.554 -0.321 0.000 2.652 389 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 389 T C 1.731 176.373 174.700 -0.097 0.000 1.039 389 T CA 2.379 64.388 62.100 -0.151 0.000 1.153 389 T CB -1.114 67.706 68.868 -0.080 0.000 0.863 389 T HN 0.201 nan 8.240 nan 0.000 0.428 390 T N 2.241 116.740 114.554 -0.092 0.000 2.708 390 T HA -0.051 4.299 4.350 -0.001 0.000 0.266 390 T C -0.534 174.132 174.700 -0.057 0.000 1.037 390 T CA 1.168 63.240 62.100 -0.046 0.000 1.146 390 T CB -1.318 67.551 68.868 0.002 0.000 0.865 390 T HN 0.331 nan 8.240 nan 0.000 0.435 391 P HA -0.041 nan 4.420 nan 0.000 0.216 391 P C 1.489 178.830 177.300 0.068 0.000 1.153 391 P CA 1.017 64.123 63.100 0.010 0.000 0.858 391 P CB -0.218 31.458 31.700 -0.040 0.000 0.789 392 L N -1.578 119.641 121.223 -0.007 0.000 2.109 392 L HA -0.083 4.256 4.340 -0.001 0.000 0.207 392 L C 2.493 179.411 176.870 0.080 0.000 1.086 392 L CA 1.294 56.160 54.840 0.044 0.000 0.760 392 L CB -1.179 40.865 42.059 -0.025 0.000 0.910 392 L HN -0.058 nan 8.230 nan 0.000 0.437 393 A N 0.488 123.340 122.820 0.055 0.000 1.908 393 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 393 A C 2.398 180.058 177.584 0.126 0.000 1.181 393 A CA 1.573 53.661 52.037 0.086 0.000 0.627 393 A CB -0.464 18.562 19.000 0.044 0.000 0.818 393 A HN 0.319 nan 8.150 nan 0.000 0.445 394 R N -0.647 119.902 120.500 0.082 0.000 2.092 394 R HA -0.036 4.304 4.340 -0.001 0.000 0.231 394 R C 2.455 178.915 176.300 0.268 0.000 1.119 394 R CA 1.100 57.268 56.100 0.114 0.000 0.970 394 R CB -0.447 29.864 30.300 0.018 0.000 0.864 394 R HN 0.513 nan 8.270 nan 0.000 0.440 395 A N 1.305 124.311 122.820 0.311 0.000 1.933 395 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 395 A C 2.360 180.197 177.584 0.421 0.000 1.175 395 A CA 1.624 53.969 52.037 0.513 0.000 0.628 395 A CB -0.558 18.787 19.000 0.574 0.000 0.814 395 A HN 0.393 nan 8.150 nan 0.000 0.444 396 A N -1.242 121.734 122.820 0.260 0.000 1.902 396 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 396 A C 2.104 179.805 177.584 0.196 0.000 1.181 396 A CA 1.396 53.541 52.037 0.179 0.000 0.623 396 A CB -0.855 18.234 19.000 0.148 0.000 0.818 396 A HN 0.821 nan 8.150 nan 0.000 0.443 397 W N 0.940 122.291 121.300 0.085 0.000 2.355 397 W HA -0.149 4.510 4.660 -0.001 0.000 0.309 397 W C 1.768 178.340 176.519 0.089 0.000 1.206 397 W CA 1.959 59.339 57.345 0.059 0.000 1.284 397 W CB -0.372 29.105 29.460 0.027 0.000 1.145 397 W HN 0.557 nan 8.180 nan 0.000 0.502 398 E N -0.813 119.656 120.200 0.448 0.000 2.338 398 E HA -0.142 4.207 4.350 -0.001 0.000 0.197 398 E C 1.920 178.713 176.600 0.321 0.000 1.007 398 E CA 1.485 58.125 56.400 0.400 0.000 0.849 398 E CB -0.194 29.794 29.700 0.480 0.000 0.774 398 E HN 0.093 nan 8.360 nan 0.000 0.506 399 T N 0.275 114.993 114.554 0.274 0.000 2.867 399 T HA -0.094 4.255 4.350 -0.001 0.000 0.268 399 T C 1.742 176.437 174.700 -0.008 0.000 1.057 399 T CA 1.298 63.481 62.100 0.138 0.000 1.136 399 T CB 0.043 69.001 68.868 0.150 0.000 0.874 399 T HN 0.242 nan 8.240 nan 0.000 0.466 400 A N 0.057 122.833 122.820 -0.074 0.000 2.288 400 A HA 0.355 4.674 4.320 -0.001 0.000 0.216 400 A C 0.849 178.308 177.584 -0.208 0.000 1.199 400 A CA -0.124 51.810 52.037 -0.171 0.000 0.891 400 A CB 0.533 19.386 19.000 -0.244 0.000 0.923 400 A HN 0.109 nan 8.150 nan 0.000 0.500 401 R N 0.115 120.518 120.500 -0.161 0.000 2.604 401 R HA 0.344 4.683 4.340 -0.001 0.000 0.281 401 R C -1.687 174.591 176.300 -0.035 0.000 1.020 401 R CA -0.517 55.521 56.100 -0.103 0.000 0.899 401 R CB 0.936 31.237 30.300 0.002 0.000 1.205 401 R HN 0.498 nan 8.270 nan 0.000 0.450 402 H N 0.723 119.868 119.070 0.125 0.000 2.722 402 H HA 0.225 4.781 4.556 -0.001 0.000 0.328 402 H C 0.508 175.913 175.328 0.128 0.000 1.067 402 H CA 0.556 56.679 56.048 0.126 0.000 1.447 402 H CB 0.972 30.781 29.762 0.080 0.000 1.469 402 H HN 0.549 nan 8.280 nan 0.000 0.544 403 T N 0.021 114.720 114.554 0.240 0.000 2.916 403 T HA 0.252 4.602 4.350 -0.001 0.000 0.292 403 T C -1.860 172.881 174.700 0.068 0.000 1.055 403 T CA -2.056 60.129 62.100 0.142 0.000 1.009 403 T CB 1.719 70.668 68.868 0.134 0.000 1.118 403 T HN 0.259 nan 8.240 nan 0.000 0.497 404 P HA 0.117 nan 4.420 nan 0.000 0.218 404 P C -0.115 177.172 177.300 -0.021 0.000 1.149 404 P CA 0.355 63.435 63.100 -0.033 0.000 0.817 404 P CB 0.089 31.756 31.700 -0.055 0.000 0.785 405 V N 1.495 121.392 119.914 -0.027 0.000 2.384 405 V HA 0.212 4.331 4.120 -0.001 0.000 0.287 405 V C -0.042 176.017 176.094 -0.059 0.000 1.020 405 V CA -0.828 61.442 62.300 -0.050 0.000 0.850 405 V CB 1.415 33.202 31.823 -0.060 0.000 0.987 405 V HN 0.015 nan 8.190 nan 0.000 0.436 406 N N 3.244 121.867 118.700 -0.129 0.000 2.602 406 N HA 0.056 4.795 4.740 -0.001 0.000 0.238 406 N C 1.396 176.701 175.510 -0.342 0.000 1.084 406 N CA 0.188 53.092 53.050 -0.244 0.000 0.952 406 N CB 1.605 39.825 38.487 -0.445 0.000 1.244 406 N HN 0.838 nan 8.380 nan 0.000 0.512 407 S N 2.419 118.033 115.700 -0.143 0.000 2.382 407 S HA -0.122 4.347 4.470 -0.001 0.000 0.228 407 S C 1.889 176.452 174.600 -0.063 0.000 1.027 407 S CA 0.288 58.444 58.200 -0.073 0.000 0.991 407 S CB -0.432 62.775 63.200 0.012 0.000 0.823 407 S HN 0.786 nan 8.310 nan 0.000 0.469 408 W N 1.391 122.606 121.300 -0.141 0.000 2.342 408 W HA -0.085 4.575 4.660 -0.001 0.000 0.297 408 W C 1.728 178.176 176.519 -0.117 0.000 1.213 408 W CA 0.666 57.888 57.345 -0.206 0.000 1.251 408 W CB -1.094 27.870 29.460 -0.827 0.000 1.136 408 W HN 0.383 nan 8.180 nan 0.000 0.526 409 L N 2.793 123.422 121.223 -0.990 0.000 2.072 409 L HA 0.188 4.528 4.340 -0.001 0.000 0.205 409 L C 2.678 179.355 176.870 -0.322 0.000 1.079 409 L CA 2.730 57.030 54.840 -0.900 0.000 0.752 409 L CB -1.384 39.897 42.059 -1.296 0.000 0.906 409 L HN 0.043 nan 8.230 nan 0.000 0.436 410 G N -0.582 108.061 108.800 -0.261 0.000 2.418 410 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 410 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 410 G C 1.474 176.394 174.900 0.033 0.000 1.158 410 G CA 0.774 45.807 45.100 -0.111 0.000 0.771 410 G HN 0.432 nan 8.290 nan 0.000 0.545 411 N N 0.541 119.316 118.700 0.125 0.000 2.188 411 N HA -0.012 4.728 4.740 -0.001 0.000 0.184 411 N C 2.257 177.923 175.510 0.261 0.000 1.018 411 N CA 0.611 53.858 53.050 0.328 0.000 0.858 411 N CB -0.166 38.575 38.487 0.422 0.000 0.989 411 N HN 0.347 nan 8.380 nan 0.000 0.426 412 I N 0.820 121.496 120.570 0.177 0.000 2.226 412 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 412 I C 1.985 178.157 176.117 0.093 0.000 1.100 412 I CA 0.880 62.262 61.300 0.137 0.000 1.374 412 I CB -0.162 37.982 38.000 0.241 0.000 1.057 412 I HN 0.035 nan 8.210 nan 0.000 0.413 413 I N -0.068 120.562 120.570 0.099 0.000 2.179 413 I HA -0.314 3.855 4.170 -0.001 0.000 0.242 413 I C 2.529 178.755 176.117 0.182 0.000 1.088 413 I CA 1.319 62.707 61.300 0.147 0.000 1.357 413 I CB -0.243 37.827 38.000 0.117 0.000 1.051 413 I HN 0.209 nan 8.210 nan 0.000 0.409 414 M N -0.782 118.845 119.600 0.044 0.000 2.200 414 M HA -0.124 4.356 4.480 -0.001 0.000 0.265 414 M C 1.134 177.202 176.300 -0.387 0.000 1.066 414 M CA 1.805 57.000 55.300 -0.175 0.000 1.127 414 M CB -0.757 31.625 32.600 -0.362 0.000 1.379 414 M HN 0.210 nan 8.290 nan 0.000 0.420 415 Y N -0.751 119.551 120.300 0.003 0.000 2.720 415 Y HA 0.490 5.040 4.550 -0.001 0.000 0.268 415 Y C 1.784 177.431 175.900 -0.422 0.000 1.142 415 Y CA -0.272 57.712 58.100 -0.193 0.000 1.193 415 Y CB -0.915 37.379 38.460 -0.278 0.000 1.176 415 Y HN 0.150 nan 8.280 nan 0.000 0.542 416 A N 1.133 123.744 122.820 -0.348 0.000 1.940 416 A HA -0.201 4.118 4.320 -0.001 0.000 0.221 416 A C -0.360 176.945 177.584 -0.464 0.000 1.190 416 A CA 1.902 53.696 52.037 -0.405 0.000 0.647 416 A CB -1.468 17.290 19.000 -0.403 0.000 0.821 416 A HN 0.291 nan 8.150 nan 0.000 0.457 417 P HA 0.015 nan 4.420 nan 0.000 0.230 417 P C 0.624 177.669 177.300 -0.425 0.000 1.158 417 P CA 1.242 64.073 63.100 -0.447 0.000 0.769 417 P CB -0.481 30.975 31.700 -0.408 0.000 0.807 418 T N -2.723 111.580 114.554 -0.418 0.000 2.898 418 T HA 0.112 4.462 4.350 -0.001 0.000 0.301 418 T C 1.144 175.440 174.700 -0.672 0.000 1.049 418 T CA -0.660 61.152 62.100 -0.480 0.000 1.095 418 T CB 0.588 68.973 68.868 -0.805 0.000 0.976 418 T HN -0.193 nan 8.240 nan 0.000 0.539 419 L N 2.082 122.784 121.223 -0.869 0.000 2.043 419 L HA -0.030 4.309 4.340 -0.001 0.000 0.212 419 L C 2.354 178.912 176.870 -0.519 0.000 1.075 419 L CA 1.852 56.146 54.840 -0.910 0.000 0.752 419 L CB -0.896 40.564 42.059 -0.997 0.000 0.891 419 L HN 0.930 nan 8.230 nan 0.000 0.432 420 W N -1.354 119.740 121.300 -0.343 0.000 2.453 420 W HA 0.163 4.823 4.660 -0.001 0.000 0.289 420 W C 2.031 178.424 176.519 -0.210 0.000 1.215 420 W CA 0.657 57.842 57.345 -0.267 0.000 1.297 420 W CB -1.323 28.015 29.460 -0.203 0.000 1.113 420 W HN 0.281 nan 8.180 nan 0.000 0.551 421 A N 1.898 124.321 122.820 -0.662 0.000 1.930 421 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 421 A C 2.245 179.694 177.584 -0.226 0.000 1.175 421 A CA 1.661 53.444 52.037 -0.423 0.000 0.627 421 A CB -0.721 17.876 19.000 -0.672 0.000 0.815 421 A HN 0.294 nan 8.150 nan 0.000 0.443 422 R N -1.029 119.252 120.500 -0.364 0.000 2.057 422 R HA 0.054 4.394 4.340 -0.001 0.000 0.229 422 R C 2.266 178.411 176.300 -0.258 0.000 1.136 422 R CA 1.700 57.599 56.100 -0.335 0.000 0.952 422 R CB -0.342 29.607 30.300 -0.585 0.000 0.848 422 R HN 0.498 nan 8.270 nan 0.000 0.430 423 M N -0.300 119.027 119.600 -0.456 0.000 2.288 423 M HA -0.024 4.455 4.480 -0.001 0.000 0.266 423 M C 1.846 178.090 176.300 -0.093 0.000 1.072 423 M CA 1.481 56.604 55.300 -0.295 0.000 1.132 423 M CB 0.097 32.456 32.600 -0.402 0.000 1.386 423 M HN 0.128 nan 8.290 nan 0.000 0.432 424 I N -0.752 119.619 120.570 -0.332 0.000 2.962 424 I HA -0.091 4.079 4.170 -0.001 0.000 0.246 424 I C 2.074 178.035 176.117 -0.260 0.000 1.091 424 I CA 0.302 61.148 61.300 -0.756 0.000 1.469 424 I CB -0.227 37.276 38.000 -0.829 0.000 1.324 424 I HN 0.103 nan 8.210 nan 0.000 0.461 425 L N 0.252 121.506 121.223 0.051 0.000 1.994 425 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 425 L C 2.694 179.866 176.870 0.503 0.000 1.071 425 L CA 1.681 56.744 54.840 0.372 0.000 0.745 425 L CB -0.513 41.803 42.059 0.427 0.000 0.892 425 L HN 0.284 nan 8.230 nan 0.000 0.431 426 M N -0.804 119.049 119.600 0.423 0.000 2.065 426 M HA -0.195 4.284 4.480 -0.001 0.000 0.259 426 M C 2.354 179.143 176.300 0.816 0.000 1.069 426 M CA 2.186 57.830 55.300 0.574 0.000 1.110 426 M CB -0.750 31.967 32.600 0.196 0.000 1.328 426 M HN 0.275 nan 8.290 nan 0.000 0.405 427 T N -1.324 113.682 114.554 0.754 0.000 2.674 427 T HA -0.228 4.122 4.350 -0.001 0.000 0.265 427 T C 1.676 176.673 174.700 0.495 0.000 1.039 427 T CA 1.944 64.465 62.100 0.702 0.000 1.150 427 T CB -0.570 68.752 68.868 0.756 0.000 0.864 427 T HN 0.446 nan 8.240 nan 0.000 0.427 428 H N 0.382 119.617 119.070 0.275 0.000 2.293 428 H HA 0.004 4.559 4.556 -0.001 0.000 0.300 428 H C 1.782 176.974 175.328 -0.228 0.000 1.082 428 H CA 1.551 57.621 56.048 0.037 0.000 1.308 428 H CB -0.506 29.122 29.762 -0.224 0.000 1.375 428 H HN 0.354 nan 8.280 nan 0.000 0.495 429 F N -1.141 118.753 119.950 -0.094 0.000 2.234 429 F HA -0.007 4.519 4.527 -0.001 0.000 0.296 429 F C 1.999 177.614 175.800 -0.307 0.000 1.089 429 F CA 0.539 58.226 58.000 -0.522 0.000 1.343 429 F CB -0.549 37.666 39.000 -1.309 0.000 1.040 429 F HN 0.132 nan 8.300 nan 0.000 0.498 430 F N -0.434 119.595 119.950 0.132 0.000 2.186 430 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 430 F C 2.750 178.572 175.800 0.036 0.000 1.090 430 F CA 1.503 59.602 58.000 0.165 0.000 1.307 430 F CB -1.063 38.147 39.000 0.350 0.000 1.019 430 F HN -0.097 nan 8.300 nan 0.000 0.489 431 S N 0.542 116.322 115.700 0.133 0.000 2.359 431 S HA -0.219 4.250 4.470 -0.001 0.000 0.223 431 S C 2.163 176.722 174.600 -0.068 0.000 1.039 431 S CA 1.705 59.907 58.200 0.003 0.000 1.042 431 S CB -0.525 62.661 63.200 -0.023 0.000 0.915 431 S HN 0.318 nan 8.310 nan 0.000 0.439 432 I N 1.345 121.807 120.570 -0.181 0.000 2.127 432 I HA -0.215 3.954 4.170 -0.001 0.000 0.241 432 I C 2.273 178.346 176.117 -0.074 0.000 1.075 432 I CA 1.329 62.520 61.300 -0.181 0.000 1.334 432 I CB -0.416 37.398 38.000 -0.310 0.000 1.040 432 I HN 0.330 nan 8.210 nan 0.000 0.405 433 L N -0.017 121.168 121.223 -0.064 0.000 2.046 433 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 433 L C 2.596 179.476 176.870 0.017 0.000 1.077 433 L CA 1.247 56.075 54.840 -0.019 0.000 0.747 433 L CB -0.670 41.345 42.059 -0.073 0.000 0.896 433 L HN 0.279 nan 8.230 nan 0.000 0.432 434 L N 0.154 121.399 121.223 0.038 0.000 1.990 434 L HA -0.275 4.064 4.340 -0.001 0.000 0.213 434 L C 2.888 179.772 176.870 0.022 0.000 1.072 434 L CA 1.574 56.444 54.840 0.050 0.000 0.755 434 L CB -0.635 41.458 42.059 0.057 0.000 0.889 434 L HN 0.279 nan 8.230 nan 0.000 0.432 435 A N -1.282 121.540 122.820 0.002 0.000 2.024 435 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 435 A C 2.005 179.592 177.584 0.005 0.000 1.164 435 A CA 1.427 53.461 52.037 -0.005 0.000 0.643 435 A CB -0.218 18.767 19.000 -0.024 0.000 0.806 435 A HN 0.498 nan 8.150 nan 0.000 0.451 436 Q N -0.978 118.830 119.800 0.014 0.000 2.282 436 Q HA 0.125 4.464 4.340 -0.001 0.000 0.206 436 Q C -0.571 175.447 176.000 0.030 0.000 0.878 436 Q CA 0.223 56.042 55.803 0.026 0.000 0.944 436 Q CB 0.196 28.958 28.738 0.041 0.000 1.100 436 Q HN 0.775 nan 8.270 nan 0.000 0.509 437 E N 0.942 121.161 120.200 0.031 0.000 2.252 437 E HA -0.242 4.107 4.350 -0.001 0.000 0.218 437 E C -0.254 176.371 176.600 0.042 0.000 1.253 437 E CA 0.279 56.701 56.400 0.037 0.000 0.705 437 E CB -0.984 28.734 29.700 0.031 0.000 1.172 437 E HN 0.410 nan 8.360 nan 0.000 0.369 438 Q N -0.130 119.697 119.800 0.045 0.000 2.135 438 Q HA 0.135 4.474 4.340 -0.001 0.000 0.231 438 Q C 1.358 177.391 176.000 0.054 0.000 0.817 438 Q CA -0.515 55.319 55.803 0.051 0.000 1.073 438 Q CB 0.577 29.352 28.738 0.061 0.000 1.176 438 Q HN 0.245 nan 8.270 nan 0.000 0.478 439 L N 0.908 122.164 121.223 0.055 0.000 2.127 439 L HA -0.186 4.154 4.340 -0.001 0.000 0.211 439 L C 1.737 178.651 176.870 0.073 0.000 1.089 439 L CA 1.930 56.808 54.840 0.063 0.000 0.757 439 L CB -0.569 41.556 42.059 0.111 0.000 0.899 439 L HN 0.403 nan 8.230 nan 0.000 0.434 440 E N -0.474 119.767 120.200 0.068 0.000 2.478 440 E HA -0.053 4.296 4.350 -0.001 0.000 0.194 440 E C 0.862 177.497 176.600 0.058 0.000 1.045 440 E CA -0.126 56.312 56.400 0.064 0.000 0.868 440 E CB 0.327 30.061 29.700 0.056 0.000 0.885 440 E HN 0.317 nan 8.360 nan 0.000 0.505 441 K N 2.040 122.474 120.400 0.057 0.000 2.312 441 K HA 0.286 4.606 4.320 -0.001 0.000 0.287 441 K C -0.493 176.141 176.600 0.056 0.000 1.062 441 K CA -0.215 56.103 56.287 0.052 0.000 0.934 441 K CB 0.778 33.306 32.500 0.048 0.000 1.027 441 K HN -0.119 nan 8.250 nan 0.000 0.478 442 A N 5.491 128.342 122.820 0.052 0.000 2.477 442 A HA 0.288 4.608 4.320 -0.001 0.000 0.246 442 A C -0.417 177.193 177.584 0.042 0.000 1.078 442 A CA -0.187 51.881 52.037 0.051 0.000 0.770 442 A CB 0.087 19.123 19.000 0.060 0.000 1.011 442 A HN 0.770 nan 8.150 nan 0.000 0.494 443 L N 2.171 123.405 121.223 0.017 0.000 2.362 443 L HA 0.366 4.705 4.340 -0.001 0.000 0.271 443 L C -0.781 176.071 176.870 -0.030 0.000 1.002 443 L CA -1.082 53.753 54.840 -0.008 0.000 0.818 443 L CB 1.914 43.942 42.059 -0.053 0.000 1.298 443 L HN 0.571 nan 8.230 nan 0.000 0.420 444 D N 1.627 122.022 120.400 -0.009 0.000 2.351 444 D HA 0.387 5.027 4.640 -0.001 0.000 0.251 444 D C -0.285 175.967 176.300 -0.079 0.000 1.137 444 D CA 0.050 54.051 54.000 0.000 0.000 0.879 444 D CB 1.259 42.088 40.800 0.047 0.000 1.181 444 D HN 0.605 nan 8.370 nan 0.000 0.448 445 C N 0.644 119.893 119.300 -0.086 0.000 3.323 445 C HA 0.707 5.167 4.460 -0.001 0.000 0.324 445 C C -0.998 173.942 174.990 -0.082 0.000 1.428 445 C CA -0.858 58.080 59.018 -0.133 0.000 1.368 445 C CB 1.303 28.906 27.740 -0.229 0.000 1.731 445 C HN 0.519 nan 8.230 nan 0.000 0.455 446 Q N 0.360 120.107 119.800 -0.090 0.000 2.353 446 Q HA 0.766 5.105 4.340 -0.001 0.000 0.268 446 Q C -1.467 174.484 176.000 -0.082 0.000 1.045 446 Q CA -0.328 55.444 55.803 -0.051 0.000 0.811 446 Q CB 2.374 31.090 28.738 -0.037 0.000 1.305 446 Q HN 0.705 nan 8.270 nan 0.000 0.447 447 I N 2.661 123.179 120.570 -0.086 0.000 2.447 447 I HA 0.214 4.383 4.170 -0.001 0.000 0.287 447 I C -0.961 175.140 176.117 -0.027 0.000 1.023 447 I CA -0.753 60.410 61.300 -0.228 0.000 1.083 447 I CB 1.131 38.685 38.000 -0.744 0.000 1.245 447 I HN 0.637 nan 8.210 nan 0.000 0.434 448 Y N 5.450 125.750 120.300 -0.000 0.000 3.225 448 Y HA -0.260 4.289 4.550 -0.001 0.000 0.211 448 Y C 1.480 177.325 175.900 -0.092 0.000 1.223 448 Y CA 1.087 59.179 58.100 -0.014 0.000 1.284 448 Y CB -1.929 36.521 38.460 -0.017 0.000 1.367 448 Y HN 0.995 nan 8.280 nan 0.000 0.566 449 G N -2.327 106.533 108.800 0.099 0.000 2.268 449 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.240 449 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.240 449 G C 0.487 175.379 174.900 -0.014 0.000 1.010 449 G CA 0.158 45.277 45.100 0.031 0.000 0.618 449 G HN 1.517 nan 8.290 nan 0.000 0.516 450 A N -0.477 122.319 122.820 -0.040 0.000 2.279 450 A HA 0.657 4.977 4.320 -0.001 0.000 0.303 450 A C 0.527 177.918 177.584 -0.321 0.000 1.108 450 A CA 0.405 52.263 52.037 -0.298 0.000 0.830 450 A CB 0.849 19.486 19.000 -0.604 0.000 1.106 450 A HN 1.075 nan 8.150 nan 0.000 0.493 451 C N 0.827 119.846 119.300 -0.468 0.000 2.330 451 C HA 0.678 5.138 4.460 -0.001 0.000 0.344 451 C C -0.699 173.883 174.990 -0.680 0.000 1.273 451 C CA -0.293 58.536 59.018 -0.315 0.000 1.879 451 C CB -1.316 26.406 27.740 -0.030 0.000 2.376 451 C HN 0.681 nan 8.230 nan 0.000 0.534 452 Y N 0.655 120.757 120.300 -0.331 0.000 2.499 452 Y HA 0.481 5.030 4.550 -0.001 0.000 0.347 452 Y C 0.362 176.141 175.900 -0.202 0.000 0.987 452 Y CA -0.434 57.428 58.100 -0.396 0.000 1.044 452 Y CB 1.652 39.814 38.460 -0.497 0.000 1.245 452 Y HN 0.560 nan 8.280 nan 0.000 0.461 453 S N 4.100 119.798 115.700 -0.004 0.000 2.422 453 S HA 0.645 5.114 4.470 -0.001 0.000 0.308 453 S C -1.087 173.558 174.600 0.076 0.000 1.097 453 S CA -0.479 57.765 58.200 0.074 0.000 1.099 453 S CB -0.354 62.928 63.200 0.137 0.000 0.976 453 S HN 0.444 nan 8.310 nan 0.000 0.471 454 I N 4.075 124.673 120.570 0.046 0.000 2.465 454 I HA 0.395 4.565 4.170 -0.001 0.000 0.291 454 I C 0.201 176.344 176.117 0.042 0.000 1.014 454 I CA -0.649 60.686 61.300 0.058 0.000 1.093 454 I CB 1.853 39.864 38.000 0.019 0.000 1.267 454 I HN 0.669 nan 8.210 nan 0.000 0.431 455 E N 7.090 127.332 120.200 0.070 0.000 2.194 455 E HA 0.209 4.558 4.350 -0.001 0.000 0.284 455 E C -1.592 175.061 176.600 0.088 0.000 1.035 455 E CA -1.477 54.965 56.400 0.071 0.000 0.836 455 E CB 1.487 31.233 29.700 0.076 0.000 1.070 455 E HN 0.299 nan 8.360 nan 0.000 0.401 456 P HA -0.162 nan 4.420 nan 0.000 0.219 456 P C 1.000 178.441 177.300 0.236 0.000 1.146 456 P CA 0.995 64.171 63.100 0.126 0.000 0.808 456 P CB 0.230 31.950 31.700 0.033 0.000 0.779 457 L N -0.734 120.604 121.223 0.191 0.000 2.362 457 L HA -0.121 4.219 4.340 -0.001 0.000 0.219 457 L C 1.221 178.194 176.870 0.171 0.000 1.134 457 L CA 1.156 56.127 54.840 0.217 0.000 0.807 457 L CB -0.655 41.497 42.059 0.154 0.000 0.927 457 L HN -0.028 nan 8.230 nan 0.000 0.447 458 D N -0.368 120.118 120.400 0.142 0.000 2.340 458 D HA 0.018 4.657 4.640 -0.001 0.000 0.220 458 D C 2.189 178.562 176.300 0.122 0.000 1.039 458 D CA 0.280 54.341 54.000 0.101 0.000 0.866 458 D CB 0.340 41.186 40.800 0.076 0.000 0.913 458 D HN 0.298 nan 8.370 nan 0.000 0.523 459 L N 0.959 122.301 121.223 0.198 0.000 2.042 459 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 459 L C -0.470 176.520 176.870 0.200 0.000 1.076 459 L CA 1.439 56.415 54.840 0.228 0.000 0.749 459 L CB -1.336 40.936 42.059 0.355 0.000 0.893 459 L HN 0.041 nan 8.230 nan 0.000 0.432 460 P HA -0.182 nan 4.420 nan 0.000 0.215 460 P C 1.293 178.656 177.300 0.104 0.000 1.153 460 P CA 1.254 64.415 63.100 0.103 0.000 0.853 460 P CB 0.051 31.646 31.700 -0.175 0.000 0.788 461 Q N -0.825 118.979 119.800 0.006 0.000 2.123 461 Q HA -0.046 4.294 4.340 -0.001 0.000 0.199 461 Q C 2.191 178.184 176.000 -0.012 0.000 0.966 461 Q CA 1.121 56.909 55.803 -0.026 0.000 0.845 461 Q CB -0.917 27.787 28.738 -0.057 0.000 0.907 461 Q HN 0.248 nan 8.270 nan 0.000 0.439 462 I N 0.098 120.672 120.570 0.006 0.000 2.226 462 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 462 I C 1.955 178.087 176.117 0.024 0.000 1.100 462 I CA 1.191 62.472 61.300 -0.032 0.000 1.374 462 I CB -0.215 37.808 38.000 0.038 0.000 1.057 462 I HN 0.194 nan 8.210 nan 0.000 0.413 463 I N 0.337 120.979 120.570 0.120 0.000 2.286 463 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 463 I C 2.637 178.766 176.117 0.019 0.000 1.104 463 I CA 1.271 62.649 61.300 0.131 0.000 1.397 463 I CB -0.373 37.700 38.000 0.122 0.000 1.072 463 I HN 0.271 nan 8.210 nan 0.000 0.417 464 E N 1.152 121.399 120.200 0.079 0.000 2.085 464 E HA -0.254 4.096 4.350 -0.001 0.000 0.194 464 E C 2.387 178.973 176.600 -0.024 0.000 0.994 464 E CA 1.161 57.592 56.400 0.052 0.000 0.801 464 E CB 0.106 29.890 29.700 0.139 0.000 0.743 464 E HN 0.268 nan 8.360 nan 0.000 0.453 465 R N 0.074 120.542 120.500 -0.053 0.000 2.075 465 R HA -0.068 4.271 4.340 -0.001 0.000 0.232 465 R C 2.462 178.675 176.300 -0.144 0.000 1.126 465 R CA 0.918 56.956 56.100 -0.102 0.000 0.963 465 R CB -0.387 29.825 30.300 -0.147 0.000 0.858 465 R HN 0.356 nan 8.270 nan 0.000 0.435 466 L N -1.078 120.032 121.223 -0.189 0.000 2.249 466 L HA -0.008 4.332 4.340 -0.001 0.000 0.207 466 L C 1.783 178.346 176.870 -0.511 0.000 1.090 466 L CA 0.826 55.446 54.840 -0.368 0.000 0.802 466 L CB -0.233 41.555 42.059 -0.452 0.000 0.947 466 L HN 0.223 nan 8.230 nan 0.000 0.453 467 H N -0.680 118.304 119.070 -0.144 0.000 3.058 467 H HA 0.310 4.866 4.556 -0.001 0.000 0.258 467 H C 0.937 176.170 175.328 -0.158 0.000 1.015 467 H CA 0.764 56.715 56.048 -0.162 0.000 1.210 467 H CB 1.114 30.751 29.762 -0.208 0.000 1.481 467 H HN 0.267 nan 8.280 nan 0.000 0.492 468 G N 1.020 109.788 108.800 -0.054 0.000 2.781 468 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.683 468 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.683 468 G C 0.691 175.536 174.900 -0.091 0.000 1.390 468 G CA -0.145 44.926 45.100 -0.049 0.000 0.850 468 G HN 0.229 nan 8.290 nan 0.000 0.557 469 L N 0.994 122.224 121.223 0.013 0.000 2.265 469 L HA -0.116 4.223 4.340 -0.001 0.000 0.215 469 L C 3.210 180.101 176.870 0.036 0.000 1.117 469 L CA 2.255 57.169 54.840 0.124 0.000 0.782 469 L CB -0.476 41.711 42.059 0.212 0.000 0.914 469 L HN 0.939 nan 8.230 nan 0.000 0.441 470 S N -0.058 115.619 115.700 -0.038 0.000 2.419 470 S HA -0.159 4.311 4.470 -0.001 0.000 0.233 470 S C 2.079 176.591 174.600 -0.148 0.000 1.016 470 S CA 0.784 58.949 58.200 -0.058 0.000 0.974 470 S CB -0.327 62.834 63.200 -0.066 0.000 0.786 470 S HN 0.364 nan 8.310 nan 0.000 0.492 471 A N 0.451 123.090 122.820 -0.302 0.000 2.125 471 A HA 0.172 4.492 4.320 -0.001 0.000 0.219 471 A C 1.387 178.747 177.584 -0.373 0.000 1.156 471 A CA 0.868 52.650 52.037 -0.425 0.000 0.671 471 A CB -0.830 17.830 19.000 -0.566 0.000 0.794 471 A HN 0.603 nan 8.150 nan 0.000 0.459 472 F N -0.248 119.713 119.950 0.019 0.000 2.727 472 F HA 0.143 4.670 4.527 -0.001 0.000 0.302 472 F C 1.653 177.497 175.800 0.074 0.000 1.097 472 F CA 0.446 58.483 58.000 0.062 0.000 1.330 472 F CB 0.124 39.188 39.000 0.107 0.000 1.084 472 F HN 0.246 nan 8.300 nan 0.000 0.578 473 S N -1.680 114.117 115.700 0.162 0.000 2.993 473 S HA 0.297 4.767 4.470 -0.001 0.000 0.257 473 S C -0.015 174.644 174.600 0.099 0.000 0.997 473 S CA -0.382 57.909 58.200 0.152 0.000 1.191 473 S CB -0.623 62.663 63.200 0.143 0.000 1.143 473 S HN 0.028 nan 8.310 nan 0.000 0.655 474 L N 3.294 124.489 121.223 -0.045 0.000 2.483 474 L HA 0.431 4.770 4.340 -0.001 0.000 0.276 474 L C 0.571 177.326 176.870 -0.192 0.000 1.213 474 L CA 0.219 54.909 54.840 -0.251 0.000 0.843 474 L CB 0.037 41.812 42.059 -0.474 0.000 1.107 474 L HN 0.670 nan 8.230 nan 0.000 0.487 475 H N -1.726 117.134 119.070 -0.350 0.000 2.948 475 H HA 0.366 4.921 4.556 -0.001 0.000 0.315 475 H C -0.360 174.808 175.328 -0.266 0.000 1.360 475 H CA -0.855 55.059 56.048 -0.223 0.000 1.125 475 H CB 1.016 30.756 29.762 -0.037 0.000 1.844 475 H HN 0.397 nan 8.280 nan 0.000 0.529 476 S N -0.674 115.058 115.700 0.054 0.000 3.697 476 S HA -0.231 4.238 4.470 -0.001 0.000 0.388 476 S C -0.517 174.075 174.600 -0.013 0.000 0.941 476 S CA 0.486 58.714 58.200 0.046 0.000 1.247 476 S CB -2.576 60.618 63.200 -0.011 0.000 0.904 476 S HN 0.544 nan 8.310 nan 0.000 0.518 477 Y N 1.890 122.224 120.300 0.057 0.000 2.385 477 Y HA 0.275 4.824 4.550 -0.001 0.000 0.346 477 Y C 1.460 177.417 175.900 0.094 0.000 1.270 477 Y CA 0.474 58.620 58.100 0.076 0.000 1.472 477 Y CB 0.346 38.845 38.460 0.064 0.000 1.354 477 Y HN 0.537 nan 8.280 nan 0.000 0.611 478 S N 2.283 118.148 115.700 0.275 0.000 2.576 478 S HA 0.136 4.605 4.470 -0.001 0.000 0.276 478 S C -1.792 172.896 174.600 0.147 0.000 1.339 478 S CA -1.163 57.139 58.200 0.170 0.000 1.039 478 S CB 1.215 64.495 63.200 0.133 0.000 0.902 478 S HN 0.502 nan 8.310 nan 0.000 0.516 479 P HA -0.023 nan 4.420 nan 0.000 0.218 479 P C 1.633 178.976 177.300 0.073 0.000 1.148 479 P CA 1.672 64.823 63.100 0.084 0.000 0.822 479 P CB -0.598 31.141 31.700 0.066 0.000 0.784 480 G N 0.453 109.294 108.800 0.068 0.000 2.418 480 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.217 480 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.217 480 G C 1.699 176.633 174.900 0.056 0.000 1.158 480 G CA 0.916 46.047 45.100 0.052 0.000 0.771 480 G HN 0.279 nan 8.290 nan 0.000 0.545 481 E N 0.622 120.876 120.200 0.089 0.000 2.072 481 E HA -0.026 4.323 4.350 -0.001 0.000 0.191 481 E C 2.451 179.098 176.600 0.078 0.000 0.985 481 E CA 0.690 57.154 56.400 0.107 0.000 0.801 481 E CB -0.375 29.445 29.700 0.200 0.000 0.750 481 E HN 0.498 nan 8.360 nan 0.000 0.452 482 I N 0.879 121.500 120.570 0.086 0.000 2.163 482 I HA -0.306 3.863 4.170 -0.001 0.000 0.243 482 I C 1.926 178.068 176.117 0.041 0.000 1.085 482 I CA 1.187 62.522 61.300 0.059 0.000 1.347 482 I CB -0.477 37.572 38.000 0.081 0.000 1.044 482 I HN 0.158 nan 8.210 nan 0.000 0.408 483 N N 0.762 119.487 118.700 0.042 0.000 2.104 483 N HA -0.225 4.515 4.740 -0.001 0.000 0.190 483 N C 1.888 177.405 175.510 0.013 0.000 1.024 483 N CA 1.282 54.349 53.050 0.028 0.000 0.853 483 N CB -0.504 38.000 38.487 0.028 0.000 1.008 483 N HN 0.351 nan 8.380 nan 0.000 0.424 484 R N 0.924 121.427 120.500 0.006 0.000 2.073 484 R HA -0.050 4.289 4.340 -0.001 0.000 0.234 484 R C 1.930 178.203 176.300 -0.045 0.000 1.134 484 R CA 1.078 57.164 56.100 -0.022 0.000 0.952 484 R CB -0.218 30.062 30.300 -0.032 0.000 0.850 484 R HN -0.030 nan 8.270 nan 0.000 0.433 485 V N 1.205 121.099 119.914 -0.034 0.000 2.287 485 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 485 V C 2.529 178.611 176.094 -0.020 0.000 1.053 485 V CA 2.004 64.276 62.300 -0.046 0.000 1.027 485 V CB -0.926 30.895 31.823 -0.003 0.000 0.646 485 V HN 0.584 nan 8.190 nan 0.000 0.447 486 A N -0.365 122.459 122.820 0.006 0.000 1.883 486 A HA -0.287 4.033 4.320 -0.001 0.000 0.217 486 A C 2.587 180.182 177.584 0.018 0.000 1.186 486 A CA 2.502 54.552 52.037 0.023 0.000 0.624 486 A CB -0.949 18.070 19.000 0.031 0.000 0.822 486 A HN 0.527 nan 8.150 nan 0.000 0.444 487 S N -1.095 114.609 115.700 0.007 0.000 2.370 487 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 487 S C 1.983 176.585 174.600 0.003 0.000 1.033 487 S CA 1.734 59.938 58.200 0.007 0.000 1.011 487 S CB -0.895 62.304 63.200 -0.001 0.000 0.852 487 S HN 0.660 nan 8.310 nan 0.000 0.457 488 C N 1.344 120.631 119.300 -0.023 0.000 2.446 488 C HA 0.090 4.550 4.460 -0.001 0.000 0.277 488 C C 2.549 177.538 174.990 -0.002 0.000 1.275 488 C CA 0.554 59.552 59.018 -0.033 0.000 1.727 488 C CB -1.611 26.068 27.740 -0.102 0.000 2.010 488 C HN 0.596 nan 8.230 nan 0.000 0.486 489 L N 0.334 121.562 121.223 0.008 0.000 2.083 489 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 489 L C 2.874 179.769 176.870 0.042 0.000 1.083 489 L CA 1.490 56.351 54.840 0.036 0.000 0.752 489 L CB -0.812 41.286 42.059 0.065 0.000 0.899 489 L HN 0.368 nan 8.230 nan 0.000 0.433 490 R N 0.451 120.982 120.500 0.051 0.000 2.073 490 R HA -0.193 4.147 4.340 -0.001 0.000 0.234 490 R C 2.374 178.754 176.300 0.134 0.000 1.134 490 R CA 1.531 57.678 56.100 0.077 0.000 0.952 490 R CB -0.261 30.077 30.300 0.063 0.000 0.850 490 R HN 0.287 nan 8.270 nan 0.000 0.433 491 K N 1.037 121.500 120.400 0.106 0.000 2.026 491 K HA -0.121 4.199 4.320 -0.001 0.000 0.208 491 K C 1.867 178.612 176.600 0.242 0.000 1.048 491 K CA 1.322 57.690 56.287 0.134 0.000 0.929 491 K CB -0.013 32.530 32.500 0.072 0.000 0.713 491 K HN 0.122 nan 8.250 nan 0.000 0.439 492 L N -0.406 120.904 121.223 0.145 0.000 2.509 492 L HA 0.159 4.498 4.340 -0.001 0.000 0.222 492 L C 0.859 177.671 176.870 -0.098 0.000 1.123 492 L CA 0.381 55.289 54.840 0.113 0.000 0.856 492 L CB 0.131 42.226 42.059 0.060 0.000 0.985 492 L HN 0.595 nan 8.230 nan 0.000 0.456 493 G N 1.126 109.782 108.800 -0.239 0.000 2.256 493 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.272 493 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.272 493 G C -0.066 174.699 174.900 -0.225 0.000 1.076 493 G CA -0.039 44.725 45.100 -0.561 0.000 0.882 493 G HN 0.081 nan 8.290 nan 0.000 0.497 494 V N 0.804 120.688 119.914 -0.049 0.000 2.546 494 V HA 0.394 4.514 4.120 -0.001 0.000 0.284 494 V C -1.106 175.066 176.094 0.129 0.000 1.050 494 V CA -1.482 60.874 62.300 0.092 0.000 0.981 494 V CB 1.393 33.305 31.823 0.148 0.000 0.990 494 V HN 0.231 nan 8.190 nan 0.000 0.474 495 P HA 0.115 nan 4.420 nan 0.000 0.266 495 P C -2.444 174.959 177.300 0.171 0.000 1.193 495 P CA -0.703 62.410 63.100 0.022 0.000 0.770 495 P CB -0.216 31.318 31.700 -0.276 0.000 0.836 496 P HA 0.042 nan 4.420 nan 0.000 0.271 496 P C 0.860 178.311 177.300 0.252 0.000 1.233 496 P CA 0.045 63.233 63.100 0.146 0.000 0.789 496 P CB 0.685 32.427 31.700 0.070 0.000 0.951 497 L N 0.720 122.102 121.223 0.265 0.000 2.191 497 L HA -0.192 4.148 4.340 -0.001 0.000 0.212 497 L C 2.817 179.863 176.870 0.293 0.000 1.103 497 L CA 1.594 56.629 54.840 0.324 0.000 0.769 497 L CB -0.766 41.406 42.059 0.188 0.000 0.908 497 L HN 0.458 nan 8.230 nan 0.000 0.438 498 R N -0.401 120.211 120.500 0.186 0.000 2.096 498 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 498 R C 1.995 178.374 176.300 0.131 0.000 1.127 498 R CA 1.351 57.544 56.100 0.155 0.000 0.968 498 R CB -1.093 29.261 30.300 0.089 0.000 0.861 498 R HN 0.116 nan 8.270 nan 0.000 0.440 499 V N 0.666 120.604 119.914 0.039 0.000 2.295 499 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 499 V C 2.024 178.086 176.094 -0.054 0.000 1.049 499 V CA 1.864 64.107 62.300 -0.094 0.000 1.024 499 V CB -0.737 30.907 31.823 -0.298 0.000 0.648 499 V HN 0.385 nan 8.190 nan 0.000 0.447 500 W N 0.219 121.621 121.300 0.171 0.000 2.363 500 W HA -0.150 4.509 4.660 -0.001 0.000 0.296 500 W C 2.741 179.472 176.519 0.353 0.000 1.212 500 W CA 1.601 59.091 57.345 0.242 0.000 1.260 500 W CB -0.331 29.267 29.460 0.231 0.000 1.131 500 W HN 0.075 nan 8.180 nan 0.000 0.530 501 R N -0.275 120.558 120.500 0.556 0.000 2.073 501 R HA -0.234 4.106 4.340 -0.001 0.000 0.234 501 R C 2.064 178.487 176.300 0.205 0.000 1.134 501 R CA 2.183 58.562 56.100 0.465 0.000 0.952 501 R CB -0.747 29.804 30.300 0.418 0.000 0.850 501 R HN 0.235 nan 8.270 nan 0.000 0.433 502 H N 0.144 119.268 119.070 0.090 0.000 2.321 502 H HA -0.019 4.537 4.556 -0.001 0.000 0.300 502 H C 2.104 177.416 175.328 -0.026 0.000 1.087 502 H CA 2.191 58.241 56.048 0.004 0.000 1.319 502 H CB 0.135 29.884 29.762 -0.021 0.000 1.379 502 H HN 0.149 nan 8.280 nan 0.000 0.501 503 R N -0.323 120.225 120.500 0.080 0.000 2.105 503 R HA -0.104 4.235 4.340 -0.001 0.000 0.239 503 R C 2.471 178.739 176.300 -0.053 0.000 1.135 503 R CA 1.043 57.150 56.100 0.011 0.000 0.967 503 R CB -0.263 30.069 30.300 0.053 0.000 0.861 503 R HN 0.377 nan 8.270 nan 0.000 0.442 504 A N 0.980 123.797 122.820 -0.005 0.000 1.969 504 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 504 A C 2.040 179.362 177.584 -0.436 0.000 1.169 504 A CA 0.983 52.882 52.037 -0.230 0.000 0.635 504 A CB -0.254 18.693 19.000 -0.088 0.000 0.810 504 A HN 0.196 nan 8.150 nan 0.000 0.445 505 R N -0.568 119.734 120.500 -0.329 0.000 2.081 505 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 505 R C 2.644 178.765 176.300 -0.298 0.000 1.131 505 R CA 1.520 57.429 56.100 -0.318 0.000 0.960 505 R CB -0.352 29.774 30.300 -0.290 0.000 0.856 505 R HN 0.562 nan 8.270 nan 0.000 0.436 506 S N 0.098 115.628 115.700 -0.284 0.000 2.345 506 S HA -0.102 4.367 4.470 -0.001 0.000 0.220 506 S C 2.034 176.496 174.600 -0.229 0.000 1.031 506 S CA 1.309 59.375 58.200 -0.224 0.000 0.996 506 S CB -0.177 62.916 63.200 -0.178 0.000 0.882 506 S HN 0.116 nan 8.310 nan 0.000 0.445 507 V N 2.658 122.391 119.914 -0.302 0.000 2.287 507 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 507 V C 2.744 178.582 176.094 -0.426 0.000 1.053 507 V CA 2.396 64.473 62.300 -0.371 0.000 1.027 507 V CB -0.900 30.598 31.823 -0.542 0.000 0.646 507 V HN 0.530 nan 8.190 nan 0.000 0.447 508 R N 0.254 120.418 120.500 -0.560 0.000 2.080 508 R HA -0.214 4.126 4.340 -0.001 0.000 0.236 508 R C 2.317 178.509 176.300 -0.180 0.000 1.137 508 R CA 1.962 57.856 56.100 -0.343 0.000 0.943 508 R CB -0.564 29.562 30.300 -0.290 0.000 0.846 508 R HN 0.476 nan 8.270 nan 0.000 0.431 509 A N 1.067 123.780 122.820 -0.179 0.000 1.883 509 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 509 A C 2.213 179.747 177.584 -0.084 0.000 1.186 509 A CA 1.757 53.723 52.037 -0.119 0.000 0.624 509 A CB -0.490 18.437 19.000 -0.122 0.000 0.822 509 A HN 0.425 nan 8.150 nan 0.000 0.444 510 R N -0.650 119.797 120.500 -0.089 0.000 2.120 510 R HA 0.020 4.359 4.340 -0.001 0.000 0.234 510 R C 1.996 178.288 176.300 -0.013 0.000 1.123 510 R CA 1.285 57.356 56.100 -0.047 0.000 0.975 510 R CB -0.433 29.840 30.300 -0.046 0.000 0.866 510 R HN 0.507 nan 8.270 nan 0.000 0.446 511 L N 0.219 121.434 121.223 -0.013 0.000 2.072 511 L HA -0.117 4.223 4.340 -0.001 0.000 0.205 511 L C 2.217 179.106 176.870 0.031 0.000 1.079 511 L CA 1.009 55.874 54.840 0.043 0.000 0.752 511 L CB -0.329 41.773 42.059 0.073 0.000 0.906 511 L HN 0.166 nan 8.230 nan 0.000 0.436 512 L N -0.885 120.337 121.223 -0.001 0.000 2.079 512 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 512 L C 2.477 179.346 176.870 -0.001 0.000 1.081 512 L CA 1.014 55.851 54.840 -0.004 0.000 0.752 512 L CB -0.480 41.562 42.059 -0.029 0.000 0.896 512 L HN 0.188 nan 8.230 nan 0.000 0.433 513 S N -0.950 114.746 115.700 -0.007 0.000 2.547 513 S HA -0.102 4.368 4.470 -0.001 0.000 0.235 513 S C 1.706 176.311 174.600 0.009 0.000 0.980 513 S CA 0.716 58.914 58.200 -0.004 0.000 0.941 513 S CB -0.051 63.141 63.200 -0.012 0.000 0.763 513 S HN 0.473 nan 8.310 nan 0.000 0.532 514 Q N 0.242 120.055 119.800 0.022 0.000 2.384 514 Q HA 0.246 4.586 4.340 -0.001 0.000 0.207 514 Q C 1.276 177.297 176.000 0.034 0.000 0.904 514 Q CA 0.258 56.081 55.803 0.032 0.000 0.933 514 Q CB 0.341 29.109 28.738 0.050 0.000 1.077 514 Q HN 0.512 nan 8.270 nan 0.000 0.522 515 G N 0.733 109.551 108.800 0.031 0.000 2.740 515 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.250 515 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.250 515 G C 0.512 175.437 174.900 0.042 0.000 1.358 515 G CA 0.035 45.154 45.100 0.031 0.000 0.897 515 G HN 0.668 nan 8.290 nan 0.000 0.567 516 G N -0.946 107.876 108.800 0.038 0.000 2.574 516 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.286 516 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.286 516 G C 1.120 176.051 174.900 0.052 0.000 1.212 516 G CA 1.491 46.615 45.100 0.041 0.000 0.979 516 G HN 1.546 nan 8.290 nan 0.000 0.557 517 R N 0.383 120.918 120.500 0.058 0.000 2.096 517 R HA 0.182 4.522 4.340 -0.001 0.000 0.235 517 R C 3.233 179.597 176.300 0.106 0.000 1.127 517 R CA 2.013 58.156 56.100 0.072 0.000 0.968 517 R CB -0.585 29.760 30.300 0.076 0.000 0.861 517 R HN 0.739 nan 8.270 nan 0.000 0.440 518 A N 1.446 124.337 122.820 0.118 0.000 1.940 518 A HA -0.158 4.161 4.320 -0.001 0.000 0.219 518 A C 2.379 180.036 177.584 0.122 0.000 1.176 518 A CA 1.826 53.955 52.037 0.153 0.000 0.631 518 A CB -0.680 18.402 19.000 0.136 0.000 0.814 518 A HN 0.409 nan 8.150 nan 0.000 0.446 519 A N -1.126 121.744 122.820 0.084 0.000 1.929 519 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 519 A C 2.277 179.907 177.584 0.077 0.000 1.176 519 A CA 2.099 54.174 52.037 0.063 0.000 0.628 519 A CB -1.208 17.818 19.000 0.044 0.000 0.816 519 A HN 0.434 nan 8.150 nan 0.000 0.444 520 T N -0.458 114.152 114.554 0.093 0.000 2.720 520 T HA -0.229 4.120 4.350 -0.001 0.000 0.268 520 T C 1.900 176.675 174.700 0.125 0.000 1.037 520 T CA 1.647 63.829 62.100 0.135 0.000 1.144 520 T CB -0.810 68.083 68.868 0.041 0.000 0.864 520 T HN 0.565 nan 8.240 nan 0.000 0.444 521 C N 1.364 120.711 119.300 0.078 0.000 2.413 521 C HA 0.002 4.461 4.460 -0.001 0.000 0.276 521 C C 3.142 178.143 174.990 0.018 0.000 1.236 521 C CA 0.581 59.608 59.018 0.015 0.000 1.735 521 C CB -1.586 26.208 27.740 0.090 0.000 2.031 521 C HN 0.749 nan 8.230 nan 0.000 0.474 522 G N 0.076 108.928 108.800 0.087 0.000 2.421 522 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.216 522 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.216 522 G C 1.607 176.540 174.900 0.055 0.000 1.171 522 G CA 1.188 46.358 45.100 0.117 0.000 0.775 522 G HN 0.655 nan 8.290 nan 0.000 0.543 523 K N -0.872 119.527 120.400 -0.002 0.000 2.002 523 K HA -0.090 4.230 4.320 -0.001 0.000 0.209 523 K C 2.226 178.664 176.600 -0.270 0.000 1.048 523 K CA 1.294 57.505 56.287 -0.126 0.000 0.930 523 K CB -0.313 32.116 32.500 -0.119 0.000 0.714 523 K HN 0.389 nan 8.250 nan 0.000 0.438 524 Y N 0.702 120.817 120.300 -0.308 0.000 2.201 524 Y HA 0.024 4.573 4.550 -0.001 0.000 0.292 524 Y C 2.039 177.590 175.900 -0.581 0.000 1.119 524 Y CA 0.862 58.579 58.100 -0.639 0.000 1.127 524 Y CB -0.062 37.795 38.460 -1.005 0.000 1.019 524 Y HN -0.050 nan 8.280 nan 0.000 0.514 525 L N -1.766 119.287 121.223 -0.284 0.000 2.201 525 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 525 L C 0.769 177.380 176.870 -0.432 0.000 1.105 525 L CA 1.309 55.952 54.840 -0.330 0.000 0.775 525 L CB -0.360 41.303 42.059 -0.659 0.000 0.913 525 L HN 0.178 nan 8.230 nan 0.000 0.440 526 F N -1.399 118.493 119.950 -0.098 0.000 2.698 526 F HA 0.172 4.699 4.527 -0.001 0.000 0.304 526 F C 1.623 177.129 175.800 -0.490 0.000 1.108 526 F CA -0.393 57.384 58.000 -0.373 0.000 1.263 526 F CB -0.490 38.291 39.000 -0.365 0.000 1.013 526 F HN -0.068 nan 8.300 nan 0.000 0.532 527 N N 0.998 119.621 118.700 -0.127 0.000 2.289 527 N HA -0.194 4.546 4.740 -0.001 0.000 0.184 527 N C 2.000 177.488 175.510 -0.037 0.000 1.016 527 N CA 1.565 54.555 53.050 -0.100 0.000 0.872 527 N CB -0.198 38.242 38.487 -0.078 0.000 0.973 527 N HN 0.522 nan 8.380 nan 0.000 0.433 528 W N -0.522 120.821 121.300 0.072 0.000 2.421 528 W HA 0.108 4.768 4.660 -0.001 0.000 0.270 528 W C 1.173 177.750 176.519 0.097 0.000 1.233 528 W CA 0.692 58.090 57.345 0.088 0.000 1.226 528 W CB -0.800 28.724 29.460 0.108 0.000 1.121 528 W HN 0.055 nan 8.180 nan 0.000 0.579 529 A N 1.339 123.799 122.820 -0.601 0.000 2.218 529 A HA 0.263 4.582 4.320 -0.001 0.000 0.209 529 A C 0.894 178.338 177.584 -0.233 0.000 1.168 529 A CA 0.951 52.617 52.037 -0.620 0.000 0.804 529 A CB -0.723 17.636 19.000 -1.067 0.000 0.834 529 A HN 0.121 nan 8.150 nan 0.000 0.482 530 V N -5.250 114.570 119.914 -0.157 0.000 2.815 530 V HA 0.844 4.963 4.120 -0.001 0.000 0.314 530 V C 0.994 177.064 176.094 -0.041 0.000 1.064 530 V CA -0.243 61.999 62.300 -0.097 0.000 0.952 530 V CB 1.035 32.790 31.823 -0.114 0.000 1.020 530 V HN 0.200 nan 8.190 nan 0.000 0.439 531 K N 0.637 121.018 120.400 -0.032 0.000 2.116 531 K HA 0.087 4.406 4.320 -0.001 0.000 0.203 531 K C 1.195 177.776 176.600 -0.031 0.000 1.052 531 K CA 1.700 57.975 56.287 -0.020 0.000 0.952 531 K CB -0.908 31.583 32.500 -0.015 0.000 0.729 531 K HN 0.867 nan 8.250 nan 0.000 0.446 532 T N 2.699 117.228 114.554 -0.042 0.000 3.781 532 T HA 0.235 4.585 4.350 -0.001 0.000 0.286 532 T C -0.433 174.233 174.700 -0.057 0.000 1.277 532 T CA -0.194 61.879 62.100 -0.046 0.000 1.136 532 T CB -0.297 68.542 68.868 -0.048 0.000 1.202 532 T HN 0.310 nan 8.240 nan 0.000 0.884 533 K N 2.832 123.202 120.400 -0.050 0.000 2.349 533 K HA 0.294 4.614 4.320 -0.001 0.000 0.288 533 K C 0.344 176.900 176.600 -0.072 0.000 1.058 533 K CA -0.301 55.951 56.287 -0.059 0.000 0.953 533 K CB 0.531 33.008 32.500 -0.038 0.000 0.997 533 K HN 0.460 nan 8.250 nan 0.000 0.477 534 L N 2.517 123.679 121.223 -0.102 0.000 2.464 534 L HA 0.141 4.481 4.340 -0.001 0.000 0.264 534 L C 0.900 177.690 176.870 -0.133 0.000 1.199 534 L CA -0.259 54.508 54.840 -0.122 0.000 0.818 534 L CB 0.117 42.078 42.059 -0.163 0.000 1.102 534 L HN 0.600 nan 8.230 nan 0.000 0.473 535 K N 3.582 123.911 120.400 -0.118 0.000 2.316 535 K HA 0.492 4.812 4.320 -0.001 0.000 0.289 535 K C -0.619 175.888 176.600 -0.155 0.000 1.070 535 K CA -0.247 55.981 56.287 -0.098 0.000 0.928 535 K CB -0.158 32.310 32.500 -0.052 0.000 1.039 535 K HN 0.511 nan 8.250 nan 0.000 0.480 536 L N 3.783 124.916 121.223 -0.150 0.000 2.255 536 L HA 0.365 4.705 4.340 -0.001 0.000 0.289 536 L C 0.724 177.637 176.870 0.072 0.000 1.046 536 L CA -0.799 53.918 54.840 -0.205 0.000 0.816 536 L CB 1.078 43.010 42.059 -0.213 0.000 1.197 536 L HN 0.915 nan 8.230 nan 0.000 0.427 537 T N 0.607 115.269 114.554 0.180 0.000 2.918 537 T HA 0.542 4.891 4.350 -0.001 0.000 0.286 537 T C -2.631 172.213 174.700 0.240 0.000 1.026 537 T CA -2.550 59.661 62.100 0.185 0.000 1.031 537 T CB 1.634 70.572 68.868 0.116 0.000 1.046 537 T HN 0.150 nan 8.240 nan 0.000 0.479 538 P HA 0.097 nan 4.420 nan 0.000 0.259 538 P C -0.558 176.764 177.300 0.037 0.000 1.163 538 P CA 0.237 63.388 63.100 0.085 0.000 0.760 538 P CB -0.020 31.712 31.700 0.054 0.000 0.762 539 I N 6.903 127.447 120.570 -0.045 0.000 2.352 539 I HA 0.117 4.287 4.170 -0.001 0.000 0.290 539 I C -1.164 174.918 176.117 -0.059 0.000 1.036 539 I CA -1.907 59.328 61.300 -0.107 0.000 1.336 539 I CB 1.149 38.991 38.000 -0.263 0.000 1.407 539 I HN 0.318 nan 8.210 nan 0.000 0.497 540 P HA -0.244 nan 4.420 nan 0.000 0.215 540 P C 1.531 178.810 177.300 -0.035 0.000 1.157 540 P CA 1.349 64.434 63.100 -0.025 0.000 0.874 540 P CB 0.200 31.891 31.700 -0.014 0.000 0.790 541 A N -0.061 122.734 122.820 -0.042 0.000 1.986 541 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 541 A C 2.322 179.873 177.584 -0.055 0.000 1.171 541 A CA 2.212 54.224 52.037 -0.043 0.000 0.640 541 A CB -1.605 17.371 19.000 -0.041 0.000 0.811 541 A HN 0.218 nan 8.150 nan 0.000 0.451 542 A N 0.453 123.235 122.820 -0.064 0.000 1.892 542 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 542 A C 2.496 180.037 177.584 -0.073 0.000 1.188 542 A CA 2.555 54.550 52.037 -0.071 0.000 0.631 542 A CB -1.092 17.871 19.000 -0.062 0.000 0.822 542 A HN 1.169 nan 8.150 nan 0.000 0.447 543 S N -0.685 114.982 115.700 -0.056 0.000 2.474 543 S HA -0.084 4.385 4.470 -0.001 0.000 0.235 543 S C 1.775 176.341 174.600 -0.056 0.000 0.997 543 S CA 1.048 59.217 58.200 -0.052 0.000 0.949 543 S CB -0.332 62.847 63.200 -0.035 0.000 0.766 543 S HN 0.625 nan 8.310 nan 0.000 0.517 544 R N 0.143 120.610 120.500 -0.055 0.000 2.246 544 R HA 0.347 4.686 4.340 -0.001 0.000 0.199 544 R C 0.122 176.380 176.300 -0.069 0.000 0.984 544 R CA -0.075 55.994 56.100 -0.052 0.000 1.015 544 R CB -0.218 30.059 30.300 -0.038 0.000 0.930 544 R HN 0.386 nan 8.270 nan 0.000 0.475 545 L N 2.453 123.619 121.223 -0.096 0.000 2.513 545 L HA -0.045 4.295 4.340 -0.001 0.000 0.272 545 L C 0.091 176.862 176.870 -0.165 0.000 1.187 545 L CA -0.010 54.747 54.840 -0.137 0.000 0.895 545 L CB 0.212 42.156 42.059 -0.191 0.000 1.147 545 L HN -0.032 nan 8.230 nan 0.000 0.483 546 D N 5.112 125.424 120.400 -0.146 0.000 2.453 546 D HA 0.185 4.825 4.640 -0.001 0.000 0.223 546 D C 0.283 176.435 176.300 -0.247 0.000 1.183 546 D CA 0.017 53.934 54.000 -0.138 0.000 0.933 546 D CB 0.504 41.266 40.800 -0.063 0.000 1.038 546 D HN 0.352 nan 8.370 nan 0.000 0.513 547 L N 2.551 123.558 121.223 -0.360 0.000 3.017 547 L HA 0.157 4.497 4.340 -0.001 0.000 0.255 547 L C 0.739 177.443 176.870 -0.277 0.000 1.247 547 L CA -0.415 54.007 54.840 -0.697 0.000 1.038 547 L CB -0.084 41.454 42.059 -0.869 0.000 1.380 547 L HN 0.255 nan 8.230 nan 0.000 0.548 548 S N -0.841 114.808 115.700 -0.086 0.000 2.580 548 S HA 0.511 4.980 4.470 -0.001 0.000 0.274 548 S C 1.303 175.976 174.600 0.121 0.000 1.329 548 S CA 0.289 58.504 58.200 0.025 0.000 1.036 548 S CB 1.588 64.789 63.200 0.003 0.000 0.919 548 S HN 0.521 nan 8.310 nan 0.000 0.515 549 G N 1.626 110.505 108.800 0.132 0.000 2.234 549 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.260 549 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.260 549 G C 0.564 175.633 174.900 0.281 0.000 0.987 549 G CA 0.394 45.568 45.100 0.123 0.000 0.625 549 G HN 0.708 nan 8.290 nan 0.000 0.532 550 W N 0.144 121.406 121.300 -0.063 0.000 2.379 550 W HA 0.411 5.071 4.660 -0.001 0.000 0.307 550 W C 1.262 177.387 176.519 -0.656 0.000 1.200 550 W CA 1.445 58.552 57.345 -0.397 0.000 1.297 550 W CB -0.385 28.703 29.460 -0.621 0.000 1.140 550 W HN 0.204 nan 8.180 nan 0.000 0.507 551 F N -0.673 119.443 119.950 0.277 0.000 2.471 551 F HA 0.314 4.841 4.527 -0.001 0.000 0.318 551 F C 0.486 176.429 175.800 0.237 0.000 1.308 551 F CA -0.402 57.739 58.000 0.235 0.000 1.162 551 F CB 0.009 39.093 39.000 0.139 0.000 1.383 551 F HN -0.392 nan 8.300 nan 0.000 0.552 552 V N 0.016 120.148 119.914 0.363 0.000 2.996 552 V HA 0.623 4.743 4.120 -0.001 0.000 0.235 552 V C 0.784 177.042 176.094 0.274 0.000 1.205 552 V CA 0.567 63.027 62.300 0.267 0.000 1.225 552 V CB 0.595 32.551 31.823 0.223 0.000 0.995 552 V HN 0.414 nan 8.190 nan 0.000 0.484 553 A N -0.643 122.319 122.820 0.236 0.000 2.609 553 A HA 0.772 5.092 4.320 -0.001 0.000 0.291 553 A C -0.313 176.995 177.584 -0.461 0.000 1.096 553 A CA 0.097 52.122 52.037 -0.020 0.000 0.684 553 A CB 1.126 19.964 19.000 -0.269 0.000 1.282 553 A HN 0.414 nan 8.150 nan 0.000 0.412 554 G N -1.097 107.144 108.800 -0.932 0.000 2.356 554 G HA2 0.537 4.496 3.960 -0.001 0.000 0.298 554 G HA3 0.537 4.496 3.960 -0.001 0.000 0.298 554 G C -0.834 173.464 174.900 -1.004 0.000 1.145 554 G CA -0.055 44.159 45.100 -1.477 0.000 0.850 554 G HN 0.601 nan 8.290 nan 0.000 0.487 555 Y N 0.951 121.040 120.300 -0.351 0.000 2.768 555 Y HA 0.295 4.845 4.550 -0.001 0.000 0.249 555 Y C 1.370 177.184 175.900 -0.145 0.000 1.146 555 Y CA -0.762 57.225 58.100 -0.188 0.000 1.171 555 Y CB 0.551 38.917 38.460 -0.156 0.000 1.249 555 Y HN 0.503 nan 8.280 nan 0.000 0.567 556 S N 0.693 116.357 115.700 -0.061 0.000 2.544 556 S HA 0.326 4.795 4.470 -0.001 0.000 0.290 556 S C 1.423 176.035 174.600 0.021 0.000 1.276 556 S CA 1.489 59.683 58.200 -0.011 0.000 1.075 556 S CB 0.031 63.226 63.200 -0.007 0.000 0.849 556 S HN 1.015 nan 8.310 nan 0.000 0.494 557 G N 3.547 112.364 108.800 0.029 0.000 2.205 557 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.261 557 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.261 557 G C 0.814 175.744 174.900 0.049 0.000 0.980 557 G CA 0.371 45.498 45.100 0.044 0.000 0.632 557 G HN 1.305 nan 8.290 nan 0.000 0.533 558 G N -0.098 108.734 108.800 0.053 0.000 3.042 558 G HA2 0.400 4.360 3.960 -0.001 0.000 0.212 558 G HA3 0.400 4.360 3.960 -0.001 0.000 0.212 558 G C 0.453 175.376 174.900 0.038 0.000 1.166 558 G CA 1.158 46.306 45.100 0.081 0.000 0.767 558 G HN 1.296 nan 8.290 nan 0.000 0.546 559 D N -0.379 120.010 120.400 -0.018 0.000 2.699 559 D HA -0.167 4.473 4.640 -0.001 0.000 0.239 559 D C -0.101 176.141 176.300 -0.097 0.000 1.136 559 D CA 0.321 54.285 54.000 -0.059 0.000 0.668 559 D CB -1.230 39.548 40.800 -0.036 0.000 1.060 559 D HN 0.120 nan 8.370 nan 0.000 0.429 560 I N 1.367 121.836 120.570 -0.169 0.000 2.377 560 I HA 0.336 4.505 4.170 -0.001 0.000 0.293 560 I C -0.076 175.821 176.117 -0.367 0.000 0.987 560 I CA -0.764 60.337 61.300 -0.331 0.000 1.185 560 I CB 1.195 38.830 38.000 -0.609 0.000 1.341 560 I HN 0.109 nan 8.210 nan 0.000 0.455 561 Y N 5.488 125.508 120.300 -0.467 0.000 2.331 561 Y HA 0.377 4.927 4.550 -0.001 0.000 0.334 561 Y C 0.061 175.719 175.900 -0.403 0.000 0.960 561 Y CA -0.379 57.459 58.100 -0.437 0.000 1.130 561 Y CB 1.013 39.306 38.460 -0.278 0.000 1.164 561 Y HN 0.559 nan 8.280 nan 0.000 0.458 562 H N 3.255 121.695 119.070 -1.050 0.000 2.490 562 H HA 0.397 4.952 4.556 -0.001 0.000 0.285 562 H C -0.227 174.645 175.328 -0.761 0.000 1.127 562 H CA -0.349 55.184 56.048 -0.859 0.000 0.993 562 H CB 0.705 29.882 29.762 -0.975 0.000 1.653 562 H HN 0.479 nan 8.280 nan 0.000 0.557 563 S N 0.000 115.148 115.700 -0.920 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 563 S CA 0.000 57.892 58.200 -0.513 0.000 1.107 563 S CB 0.000 62.853 63.200 -0.578 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517