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 3cj3_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 AKNEVFCVQX DATA SEQUENCE XXXGRKPARL 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 0.000 175.267 175.328 -0.102 0.000 0.993 0 H CA 0.000 56.039 56.048 -0.015 0.000 1.023 0 H CB 0.000 29.776 29.762 0.024 0.000 1.292 1 H N 3.264 122.320 119.070 -0.022 0.000 2.553 1 H HA 0.194 4.749 4.556 -0.001 0.000 0.222 1 H C 0.163 175.451 175.328 -0.065 0.000 1.779 1 H CA -0.365 55.659 56.048 -0.041 0.000 1.241 1 H CB -0.299 29.444 29.762 -0.032 0.000 1.647 1 H HN 0.436 nan 8.280 nan 0.000 0.523 2 M N 1.074 120.667 119.600 -0.012 0.000 2.217 2 M HA -0.005 4.475 4.480 -0.001 0.000 0.354 2 M C 1.819 178.012 176.300 -0.179 0.000 1.225 2 M CA 0.057 55.320 55.300 -0.062 0.000 1.137 2 M CB 1.133 33.708 32.600 -0.042 0.000 1.576 2 M HN 0.326 nan 8.290 nan 0.000 0.461 3 S N 2.523 118.033 115.700 -0.316 0.000 2.383 3 S HA -0.114 4.356 4.470 -0.001 0.000 0.229 3 S C 0.085 174.228 174.600 -0.762 0.000 1.030 3 S CA 1.092 58.957 58.200 -0.558 0.000 1.002 3 S CB -0.275 62.494 63.200 -0.719 0.000 0.829 3 S HN 0.651 nan 8.310 nan 0.000 0.467 4 Y N 0.622 120.752 120.300 -0.284 0.000 2.562 4 Y HA 0.565 5.115 4.550 -0.001 0.000 0.345 4 Y C -0.017 175.600 175.900 -0.473 0.000 1.045 4 Y CA -0.942 56.863 58.100 -0.492 0.000 1.028 4 Y CB 1.923 39.886 38.460 -0.827 0.000 1.297 4 Y HN 0.119 nan 8.280 nan 0.000 0.463 5 T N -2.235 112.099 114.554 -0.366 0.000 2.887 5 T HA 0.721 5.070 4.350 -0.001 0.000 0.288 5 T C -1.363 173.108 174.700 -0.381 0.000 1.021 5 T CA -0.761 61.183 62.100 -0.261 0.000 1.000 5 T CB 1.173 69.990 68.868 -0.084 0.000 1.034 5 T HN 0.556 nan 8.240 nan 0.000 0.467 6 W N 0.908 122.261 121.300 0.089 0.000 2.761 6 W HA 0.467 5.126 4.660 -0.001 0.000 0.340 6 W C 1.471 178.017 176.519 0.044 0.000 1.072 6 W CA -0.752 56.629 57.345 0.060 0.000 1.215 6 W CB 2.157 31.635 29.460 0.031 0.000 1.420 6 W HN 0.911 nan 8.180 nan 0.000 0.519 7 T N -2.192 112.540 114.554 0.297 0.000 3.014 7 T HA 0.274 4.624 4.350 -0.001 0.000 0.263 7 T C 1.479 176.262 174.700 0.137 0.000 1.078 7 T CA 1.072 63.275 62.100 0.171 0.000 1.135 7 T CB -0.060 68.887 68.868 0.131 0.000 0.895 7 T HN 1.213 nan 8.240 nan 0.000 0.480 8 G N 1.282 110.169 108.800 0.145 0.000 2.253 8 G HA2 0.023 3.983 3.960 -0.001 0.000 0.209 8 G HA3 0.023 3.983 3.960 -0.001 0.000 0.209 8 G C 0.398 175.317 174.900 0.032 0.000 0.997 8 G CA -0.136 45.003 45.100 0.064 0.000 0.640 8 G HN 1.123 nan 8.290 nan 0.000 0.496 9 A N 1.056 123.909 122.820 0.056 0.000 2.531 9 A HA 0.579 4.898 4.320 -0.001 0.000 0.236 9 A C 0.802 178.387 177.584 0.001 0.000 1.062 9 A CA 0.345 52.403 52.037 0.034 0.000 0.760 9 A CB 0.122 19.154 19.000 0.053 0.000 0.995 9 A HN 0.916 nan 8.150 nan 0.000 0.501 10 L N 2.135 123.348 121.223 -0.018 0.000 2.395 10 L HA 0.272 4.612 4.340 -0.001 0.000 0.269 10 L C 0.089 176.936 176.870 -0.039 0.000 1.133 10 L CA -0.313 54.497 54.840 -0.050 0.000 0.812 10 L CB 0.730 42.765 42.059 -0.040 0.000 1.125 10 L HN 0.563 nan 8.230 nan 0.000 0.452 11 I N 1.995 122.522 120.570 -0.072 0.000 2.452 11 I HA 0.065 4.235 4.170 -0.001 0.000 0.287 11 I C 0.556 176.659 176.117 -0.022 0.000 1.079 11 I CA 0.180 61.456 61.300 -0.041 0.000 1.387 11 I CB 0.804 38.761 38.000 -0.071 0.000 1.404 11 I HN 0.660 nan 8.210 nan 0.000 0.522 12 T N 4.801 119.355 114.554 -0.001 0.000 2.918 12 T HA 0.615 4.964 4.350 -0.001 0.000 0.286 12 T C -2.555 172.157 174.700 0.021 0.000 1.026 12 T CA -2.112 59.991 62.100 0.006 0.000 1.031 12 T CB 1.887 70.759 68.868 0.006 0.000 1.046 12 T HN 0.242 nan 8.240 nan 0.000 0.479 13 P HA 0.355 nan 4.420 nan 0.000 0.276 13 P C 0.104 177.425 177.300 0.035 0.000 1.252 13 P CA -0.693 62.428 63.100 0.033 0.000 0.802 13 P CB 0.953 32.673 31.700 0.033 0.000 1.035 14 C N 0.365 119.690 119.300 0.042 0.000 2.590 14 C HA 0.519 4.979 4.460 -0.001 0.000 0.272 14 C C 1.191 176.200 174.990 0.032 0.000 1.338 14 C CA 0.997 60.038 59.018 0.038 0.000 1.746 14 C CB -0.799 26.970 27.740 0.049 0.000 2.020 14 C HN 0.715 nan 8.230 nan 0.000 0.531 15 A N -0.582 122.259 122.820 0.035 0.000 2.533 15 A HA 0.779 5.099 4.320 -0.001 0.000 0.293 15 A C -0.750 176.858 177.584 0.040 0.000 1.228 15 A CA 0.155 52.212 52.037 0.034 0.000 0.689 15 A CB -0.120 18.901 19.000 0.036 0.000 1.303 15 A HN 0.491 nan 8.150 nan 0.000 0.444 16 A N -0.078 122.767 122.820 0.041 0.000 2.498 16 A HA 0.517 4.837 4.320 -0.001 0.000 0.239 16 A C -0.047 177.576 177.584 0.065 0.000 1.068 16 A CA 0.316 52.381 52.037 0.048 0.000 0.766 16 A CB -0.279 18.747 19.000 0.044 0.000 1.003 16 A HN 0.629 nan 8.150 nan 0.000 0.497 17 E N 1.098 121.342 120.200 0.073 0.000 2.199 17 E HA 0.378 4.728 4.350 -0.001 0.000 0.269 17 E C -1.022 175.655 176.600 0.129 0.000 0.899 17 E CA -0.480 55.978 56.400 0.098 0.000 0.772 17 E CB 1.743 31.492 29.700 0.082 0.000 1.155 17 E HN 0.746 nan 8.360 nan 0.000 0.408 18 E N 0.888 121.207 120.200 0.198 0.000 2.191 18 E HA 0.185 4.535 4.350 -0.001 0.000 0.278 18 E C 0.070 176.877 176.600 0.344 0.000 0.972 18 E CA -0.264 56.289 56.400 0.255 0.000 0.804 18 E CB 1.485 31.367 29.700 0.303 0.000 1.110 18 E HN 0.544 nan 8.360 nan 0.000 0.394 19 S N 0.692 116.569 115.700 0.295 0.000 2.564 19 S HA 0.104 4.573 4.470 -0.001 0.000 0.231 19 S C 1.047 175.890 174.600 0.405 0.000 1.067 19 S CA -0.319 58.075 58.200 0.323 0.000 0.908 19 S CB -0.081 63.249 63.200 0.218 0.000 0.809 19 S HN 0.409 nan 8.310 nan 0.000 0.491 20 K N 1.872 122.444 120.400 0.286 0.000 2.174 20 K HA 0.669 4.988 4.320 -0.001 0.000 0.275 20 K C -0.363 176.308 176.600 0.118 0.000 1.015 20 K CA -0.811 55.606 56.287 0.216 0.000 0.933 20 K CB -0.220 32.347 32.500 0.112 0.000 1.025 20 K HN 0.384 nan 8.250 nan 0.000 0.463 21 L N 3.679 124.961 121.223 0.099 0.000 2.584 21 L HA 0.196 4.535 4.340 -0.001 0.000 0.272 21 L C -2.197 174.440 176.870 -0.389 0.000 1.195 21 L CA -1.261 53.467 54.840 -0.186 0.000 0.920 21 L CB 0.144 42.207 42.059 0.007 0.000 1.173 21 L HN 0.554 nan 8.230 nan 0.000 0.489 22 P HA 0.233 nan 4.420 nan 0.000 0.271 22 P C -1.020 176.047 177.300 -0.388 0.000 1.218 22 P CA -0.056 62.752 63.100 -0.485 0.000 0.780 22 P CB 0.592 31.936 31.700 -0.593 0.000 0.901 23 I N 2.728 123.127 120.570 -0.284 0.000 2.466 23 I HA 0.335 4.505 4.170 -0.001 0.000 0.289 23 I C 0.286 176.296 176.117 -0.179 0.000 1.026 23 I CA -0.641 60.498 61.300 -0.269 0.000 1.078 23 I CB 1.561 39.395 38.000 -0.277 0.000 1.249 23 I HN 0.484 nan 8.210 nan 0.000 0.429 24 N N 4.494 123.102 118.700 -0.153 0.000 3.201 24 N HA 0.476 5.216 4.740 -0.001 0.000 0.344 24 N C 0.427 175.895 175.510 -0.069 0.000 1.465 24 N CA -0.415 52.574 53.050 -0.102 0.000 0.731 24 N CB 0.625 39.050 38.487 -0.103 0.000 1.677 24 N HN 0.383 nan 8.380 nan 0.000 0.631 25 A N -0.713 122.076 122.820 -0.052 0.000 2.168 25 A HA 0.188 4.507 4.320 -0.001 0.000 0.215 25 A C 1.719 179.289 177.584 -0.024 0.000 1.152 25 A CA 0.635 52.652 52.037 -0.033 0.000 0.716 25 A CB -0.899 18.083 19.000 -0.031 0.000 0.794 25 A HN 0.533 nan 8.150 nan 0.000 0.465 26 L N -1.314 119.892 121.223 -0.029 0.000 2.477 26 L HA 0.042 4.381 4.340 -0.001 0.000 0.220 26 L C 2.421 179.320 176.870 0.049 0.000 1.106 26 L CA 0.435 55.274 54.840 -0.002 0.000 0.851 26 L CB -0.113 41.923 42.059 -0.039 0.000 0.994 26 L HN 0.206 nan 8.230 nan 0.000 0.462 27 S N 0.496 116.199 115.700 0.004 0.000 2.370 27 S HA -0.134 4.336 4.470 -0.001 0.000 0.226 27 S C 1.720 176.369 174.600 0.082 0.000 1.033 27 S CA 1.323 59.522 58.200 -0.002 0.000 1.011 27 S CB -0.219 62.894 63.200 -0.145 0.000 0.852 27 S HN 0.474 nan 8.310 nan 0.000 0.457 28 N N 1.411 120.170 118.700 0.099 0.000 2.396 28 N HA -0.030 4.709 4.740 -0.001 0.000 0.180 28 N C 1.868 177.404 175.510 0.044 0.000 1.028 28 N CA 1.107 54.224 53.050 0.112 0.000 0.893 28 N CB -0.380 38.158 38.487 0.085 0.000 0.967 28 N HN 0.559 nan 8.380 nan 0.000 0.440 29 S N 0.136 115.861 115.700 0.041 0.000 2.442 29 S HA -0.070 4.399 4.470 -0.001 0.000 0.236 29 S C 1.818 176.447 174.600 0.049 0.000 1.007 29 S CA 0.519 58.727 58.200 0.013 0.000 0.965 29 S CB -0.148 63.081 63.200 0.048 0.000 0.773 29 S HN 0.196 nan 8.310 nan 0.000 0.504 30 L N 0.831 122.091 121.223 0.061 0.000 2.262 30 L HA 0.567 4.906 4.340 -0.001 0.000 0.197 30 L C 0.195 177.121 176.870 0.093 0.000 1.073 30 L CA 0.827 55.684 54.840 0.028 0.000 0.800 30 L CB -0.013 41.839 42.059 -0.346 0.000 0.987 30 L HN 0.641 nan 8.230 nan 0.000 0.470 31 L N -4.593 116.676 121.223 0.075 0.000 2.466 31 L HA 0.506 4.846 4.340 -0.001 0.000 0.258 31 L C 0.129 177.033 176.870 0.058 0.000 0.973 31 L CA -0.873 54.003 54.840 0.061 0.000 0.826 31 L CB 1.913 44.026 42.059 0.090 0.000 1.372 31 L HN -0.343 nan 8.230 nan 0.000 0.409 32 R N -1.273 119.141 120.500 -0.144 0.000 2.225 32 R HA 0.238 4.578 4.340 -0.001 0.000 0.194 32 R C 0.188 176.252 176.300 -0.393 0.000 0.957 32 R CA 0.744 56.657 56.100 -0.311 0.000 1.042 32 R CB -0.566 29.564 30.300 -0.283 0.000 1.004 32 R HN 0.813 nan 8.270 nan 0.000 0.509 33 H N 0.490 119.484 119.070 -0.125 0.000 2.923 33 H HA 0.252 4.807 4.556 -0.001 0.000 0.251 33 H C 0.651 176.002 175.328 0.038 0.000 1.741 33 H CA -0.213 55.788 56.048 -0.077 0.000 1.387 33 H CB -0.087 29.671 29.762 -0.006 0.000 1.740 33 H HN 0.505 nan 8.280 nan 0.000 0.544 34 H N 1.104 120.266 119.070 0.153 0.000 2.423 34 H HA -0.149 4.407 4.556 -0.001 0.000 0.297 34 H C 1.958 177.365 175.328 0.131 0.000 1.075 34 H CA 0.769 56.884 56.048 0.113 0.000 1.342 34 H CB 0.342 30.145 29.762 0.069 0.000 1.395 34 H HN 0.653 nan 8.280 nan 0.000 0.530 35 N N 1.370 120.205 118.700 0.226 0.000 2.635 35 N HA -0.144 4.596 4.740 -0.001 0.000 0.191 35 N C 1.246 176.865 175.510 0.181 0.000 1.155 35 N CA 0.904 54.056 53.050 0.169 0.000 0.927 35 N CB -0.134 38.412 38.487 0.099 0.000 0.976 35 N HN 0.487 nan 8.380 nan 0.000 0.448 36 M N 0.052 119.778 119.600 0.210 0.000 2.510 36 M HA 0.146 4.625 4.480 -0.001 0.000 0.256 36 M C 0.073 176.545 176.300 0.286 0.000 1.132 36 M CA 0.213 55.643 55.300 0.217 0.000 1.105 36 M CB 0.679 33.393 32.600 0.190 0.000 1.375 36 M HN -0.133 nan 8.290 nan 0.000 0.477 37 V N 1.455 121.541 119.914 0.286 0.000 2.427 37 V HA 0.327 4.446 4.120 -0.001 0.000 0.286 37 V C -0.837 175.487 176.094 0.383 0.000 1.034 37 V CA -0.709 61.758 62.300 0.278 0.000 0.893 37 V CB 0.671 32.647 31.823 0.255 0.000 0.982 37 V HN 0.333 nan 8.190 nan 0.000 0.452 38 Y N 2.547 122.993 120.300 0.244 0.000 2.588 38 Y HA 0.911 5.460 4.550 -0.001 0.000 0.343 38 Y C -0.412 175.573 175.900 0.142 0.000 1.065 38 Y CA -1.381 56.865 58.100 0.243 0.000 1.038 38 Y CB 1.553 40.121 38.460 0.180 0.000 1.297 38 Y HN 0.696 nan 8.280 nan 0.000 0.467 39 A N 1.652 124.571 122.820 0.164 0.000 2.324 39 A HA 0.663 4.982 4.320 -0.001 0.000 0.330 39 A C 0.008 177.711 177.584 0.198 0.000 1.165 39 A CA -0.351 51.604 52.037 -0.137 0.000 0.813 39 A CB 0.413 19.131 19.000 -0.470 0.000 1.197 39 A HN 1.077 nan 8.150 nan 0.000 0.484 40 T N 0.082 114.741 114.554 0.176 0.000 2.918 40 T HA 0.527 4.876 4.350 -0.001 0.000 0.302 40 T C 0.361 175.130 174.700 0.114 0.000 1.045 40 T CA 0.433 62.669 62.100 0.227 0.000 1.114 40 T CB 0.561 69.577 68.868 0.247 0.000 0.965 40 T HN 1.452 nan 8.240 nan 0.000 0.540 41 T N -1.685 112.934 114.554 0.108 0.000 2.865 41 T HA 0.482 4.832 4.350 -0.001 0.000 0.294 41 T C 1.432 176.163 174.700 0.052 0.000 1.119 41 T CA -0.267 61.877 62.100 0.073 0.000 1.007 41 T CB 1.291 70.207 68.868 0.079 0.000 1.225 41 T HN 0.746 nan 8.240 nan 0.000 0.515 42 S N 0.593 116.315 115.700 0.037 0.000 2.420 42 S HA -0.212 4.257 4.470 -0.001 0.000 0.237 42 S C 1.814 176.414 174.600 -0.000 0.000 1.023 42 S CA 0.898 59.106 58.200 0.014 0.000 0.991 42 S CB -0.792 62.415 63.200 0.012 0.000 0.792 42 S HN 0.763 nan 8.310 nan 0.000 0.488 43 R N 1.575 122.082 120.500 0.012 0.000 2.211 43 R HA -0.064 4.275 4.340 -0.001 0.000 0.240 43 R C 2.238 178.532 176.300 -0.010 0.000 1.144 43 R CA 1.520 57.621 56.100 0.002 0.000 0.992 43 R CB -0.541 29.768 30.300 0.015 0.000 0.869 43 R HN 0.757 nan 8.270 nan 0.000 0.462 44 S N -1.024 114.675 115.700 -0.001 0.000 2.539 44 S HA 0.266 4.736 4.470 -0.001 0.000 0.221 44 S C 1.767 176.347 174.600 -0.032 0.000 0.987 44 S CA 0.092 58.285 58.200 -0.012 0.000 0.929 44 S CB 0.924 64.130 63.200 0.011 0.000 0.832 44 S HN 0.268 nan 8.310 nan 0.000 0.492 45 A N 2.019 124.811 122.820 -0.047 0.000 1.940 45 A HA 0.157 4.477 4.320 -0.001 0.000 0.219 45 A C 2.235 179.720 177.584 -0.165 0.000 1.176 45 A CA 1.592 53.575 52.037 -0.089 0.000 0.631 45 A CB -1.608 17.337 19.000 -0.092 0.000 0.814 45 A HN 0.662 nan 8.150 nan 0.000 0.446 46 G N -0.476 108.229 108.800 -0.159 0.000 2.432 46 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.219 46 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.219 46 G C 1.538 176.348 174.900 -0.151 0.000 1.135 46 G CA 0.934 45.915 45.100 -0.198 0.000 0.767 46 G HN 0.438 nan 8.290 nan 0.000 0.550 47 L N -0.318 120.850 121.223 -0.091 0.000 2.056 47 L HA -0.005 4.334 4.340 -0.001 0.000 0.207 47 L C 2.944 179.791 176.870 -0.039 0.000 1.078 47 L CA 1.050 55.858 54.840 -0.054 0.000 0.749 47 L CB -0.211 41.827 42.059 -0.034 0.000 0.901 47 L HN 0.165 nan 8.230 nan 0.000 0.433 48 R N 0.427 120.899 120.500 -0.046 0.000 2.073 48 R HA -0.189 4.151 4.340 -0.001 0.000 0.234 48 R C 2.181 178.464 176.300 -0.028 0.000 1.134 48 R CA 1.702 57.792 56.100 -0.017 0.000 0.952 48 R CB -0.481 29.810 30.300 -0.015 0.000 0.850 48 R HN 0.366 nan 8.270 nan 0.000 0.433 49 Q N 0.087 119.793 119.800 -0.156 0.000 2.096 49 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 49 Q C 2.037 178.030 176.000 -0.011 0.000 0.982 49 Q CA 2.166 57.827 55.803 -0.238 0.000 0.850 49 Q CB -0.140 28.147 28.738 -0.751 0.000 0.901 49 Q HN 0.365 nan 8.270 nan 0.000 0.422 50 K N 0.853 121.236 120.400 -0.027 0.000 2.009 50 K HA -0.163 4.157 4.320 -0.001 0.000 0.210 50 K C 2.038 178.725 176.600 0.146 0.000 1.049 50 K CA 1.368 57.692 56.287 0.061 0.000 0.929 50 K CB -0.083 32.430 32.500 0.021 0.000 0.714 50 K HN 0.084 nan 8.250 nan 0.000 0.440 51 K N 0.659 121.136 120.400 0.127 0.000 2.097 51 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 51 K C 1.980 178.784 176.600 0.340 0.000 1.049 51 K CA 1.572 57.965 56.287 0.177 0.000 0.933 51 K CB -0.070 32.504 32.500 0.124 0.000 0.717 51 K HN 0.166 nan 8.250 nan 0.000 0.442 52 V N -1.674 118.445 119.914 0.342 0.000 3.649 52 V HA 0.072 4.192 4.120 -0.001 0.000 0.275 52 V C 0.304 176.620 176.094 0.370 0.000 1.281 52 V CA 0.175 62.747 62.300 0.452 0.000 1.143 52 V CB 0.095 32.133 31.823 0.359 0.000 0.892 52 V HN -0.052 nan 8.190 nan 0.000 0.441 53 T N 4.349 119.152 114.554 0.415 0.000 2.801 53 T HA 0.723 5.073 4.350 -0.001 0.000 0.306 53 T C -0.793 174.091 174.700 0.307 0.000 1.020 53 T CA -0.064 62.231 62.100 0.325 0.000 0.948 53 T CB 0.140 69.287 68.868 0.464 0.000 0.962 53 T HN 0.598 nan 8.240 nan 0.000 0.465 54 F N -0.384 119.667 119.950 0.169 0.000 2.686 54 F HA 0.662 5.188 4.527 -0.001 0.000 0.311 54 F C -0.901 174.943 175.800 0.074 0.000 1.128 54 F CA -1.700 56.364 58.000 0.106 0.000 0.946 54 F CB 0.748 39.801 39.000 0.087 0.000 1.336 54 F HN 0.115 nan 8.300 nan 0.000 0.457 55 D N 1.139 121.705 120.400 0.277 0.000 2.348 55 D HA 0.383 5.022 4.640 -0.001 0.000 0.253 55 D C -0.740 175.698 176.300 0.231 0.000 1.161 55 D CA 0.087 54.197 54.000 0.184 0.000 0.876 55 D CB 0.717 41.608 40.800 0.151 0.000 1.160 55 D HN 0.489 nan 8.370 nan 0.000 0.459 56 R N 2.835 123.418 120.500 0.139 0.000 2.294 56 R HA 0.496 4.835 4.340 -0.001 0.000 0.319 56 R C -0.790 175.492 176.300 -0.029 0.000 0.984 56 R CA -0.653 55.505 56.100 0.096 0.000 0.861 56 R CB 0.816 31.144 30.300 0.047 0.000 1.104 56 R HN 0.310 nan 8.270 nan 0.000 0.451 57 L N 2.105 123.303 121.223 -0.041 0.000 2.342 57 L HA 0.578 4.917 4.340 -0.001 0.000 0.271 57 L C -0.377 176.430 176.870 -0.105 0.000 1.008 57 L CA -0.587 54.182 54.840 -0.118 0.000 0.818 57 L CB 1.529 43.543 42.059 -0.074 0.000 1.296 57 L HN 0.614 nan 8.230 nan 0.000 0.427 58 Q N 1.354 121.070 119.800 -0.140 0.000 2.271 58 Q HA 0.632 4.972 4.340 -0.001 0.000 0.268 58 Q C -1.485 174.444 176.000 -0.117 0.000 1.021 58 Q CA -0.495 55.237 55.803 -0.118 0.000 0.802 58 Q CB 2.780 31.432 28.738 -0.142 0.000 1.282 58 Q HN 0.538 nan 8.270 nan 0.000 0.431 59 V N 2.408 122.268 119.914 -0.089 0.000 2.407 59 V HA 0.658 4.778 4.120 -0.001 0.000 0.291 59 V C -1.046 175.028 176.094 -0.033 0.000 1.018 59 V CA -0.677 61.577 62.300 -0.077 0.000 0.842 59 V CB 1.193 32.972 31.823 -0.073 0.000 0.996 59 V HN 0.702 nan 8.190 nan 0.000 0.426 60 L N 5.726 126.903 121.223 -0.077 0.000 2.305 60 L HA 0.645 4.984 4.340 -0.001 0.000 0.284 60 L C -0.274 176.613 176.870 0.027 0.000 1.013 60 L CA -0.479 54.285 54.840 -0.126 0.000 0.819 60 L CB 1.670 43.483 42.059 -0.410 0.000 1.227 60 L HN 0.916 nan 8.230 nan 0.000 0.417 61 D N 0.614 121.110 120.400 0.160 0.000 2.588 61 D HA 0.137 4.777 4.640 -0.001 0.000 0.268 61 D C 0.266 176.639 176.300 0.122 0.000 1.176 61 D CA -0.564 53.508 54.000 0.121 0.000 1.080 61 D CB 0.884 41.759 40.800 0.125 0.000 1.186 61 D HN 0.297 nan 8.370 nan 0.000 0.619 62 D N -1.339 119.069 120.400 0.013 0.000 2.183 62 D HA -0.127 4.512 4.640 -0.001 0.000 0.203 62 D C 1.769 178.061 176.300 -0.012 0.000 0.969 62 D CA 0.923 54.903 54.000 -0.033 0.000 0.842 62 D CB -0.041 40.689 40.800 -0.116 0.000 0.957 62 D HN 0.403 nan 8.370 nan 0.000 0.484 63 H N -0.000 119.127 119.070 0.096 0.000 2.319 63 H HA -0.165 4.390 4.556 -0.001 0.000 0.299 63 H C 2.028 177.383 175.328 0.045 0.000 1.092 63 H CA 0.990 57.084 56.048 0.077 0.000 1.302 63 H CB -0.745 29.087 29.762 0.117 0.000 1.373 63 H HN 0.318 nan 8.280 nan 0.000 0.497 64 Y N 1.950 122.285 120.300 0.058 0.000 2.081 64 Y HA -0.266 4.283 4.550 -0.001 0.000 0.280 64 Y C 2.755 178.597 175.900 -0.097 0.000 1.163 64 Y CA 1.830 59.834 58.100 -0.160 0.000 1.135 64 Y CB -0.110 38.170 38.460 -0.300 0.000 0.970 64 Y HN -0.034 nan 8.280 nan 0.000 0.498 65 R N 0.027 120.565 120.500 0.063 0.000 2.092 65 R HA -0.148 4.192 4.340 -0.001 0.000 0.231 65 R C 1.784 178.042 176.300 -0.071 0.000 1.119 65 R CA 1.381 57.464 56.100 -0.027 0.000 0.970 65 R CB -0.328 30.007 30.300 0.057 0.000 0.864 65 R HN 0.423 nan 8.270 nan 0.000 0.440 66 D N 0.158 120.542 120.400 -0.028 0.000 2.092 66 D HA -0.134 4.505 4.640 -0.001 0.000 0.193 66 D C 1.983 178.253 176.300 -0.049 0.000 0.994 66 D CA 1.155 55.144 54.000 -0.018 0.000 0.828 66 D CB -0.300 40.520 40.800 0.033 0.000 0.963 66 D HN -0.022 nan 8.370 nan 0.000 0.450 67 V N 1.107 120.972 119.914 -0.082 0.000 2.295 67 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 67 V C 2.508 178.515 176.094 -0.145 0.000 1.049 67 V CA 1.166 63.398 62.300 -0.114 0.000 1.024 67 V CB -0.537 31.182 31.823 -0.173 0.000 0.648 67 V HN 0.137 nan 8.190 nan 0.000 0.447 68 L N 0.701 121.767 121.223 -0.262 0.000 2.013 68 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 68 L C 2.468 179.260 176.870 -0.130 0.000 1.073 68 L CA 2.415 57.106 54.840 -0.249 0.000 0.753 68 L CB -0.864 40.967 42.059 -0.379 0.000 0.890 68 L HN 0.326 nan 8.230 nan 0.000 0.432 69 K N -0.517 119.825 120.400 -0.097 0.000 2.097 69 K HA -0.222 4.098 4.320 -0.001 0.000 0.206 69 K C 1.890 178.467 176.600 -0.038 0.000 1.049 69 K CA 1.861 58.115 56.287 -0.055 0.000 0.933 69 K CB -0.155 32.322 32.500 -0.038 0.000 0.717 69 K HN 0.553 nan 8.250 nan 0.000 0.442 70 E N 0.307 120.489 120.200 -0.031 0.000 2.077 70 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 70 E C 2.135 178.732 176.600 -0.005 0.000 0.989 70 E CA 1.587 57.982 56.400 -0.008 0.000 0.800 70 E CB -0.092 29.613 29.700 0.008 0.000 0.746 70 E HN 0.364 nan 8.360 nan 0.000 0.452 71 M N 0.657 120.251 119.600 -0.010 0.000 2.086 71 M HA -0.177 4.303 4.480 -0.001 0.000 0.261 71 M C 2.159 178.434 176.300 -0.041 0.000 1.067 71 M CA 1.530 56.822 55.300 -0.014 0.000 1.116 71 M CB -0.157 32.434 32.600 -0.015 0.000 1.348 71 M HN -0.054 nan 8.290 nan 0.000 0.407 72 K N 0.327 120.697 120.400 -0.050 0.000 2.103 72 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 72 K C 2.100 178.683 176.600 -0.029 0.000 1.048 72 K CA 1.440 57.700 56.287 -0.044 0.000 0.930 72 K CB -0.371 32.102 32.500 -0.046 0.000 0.716 72 K HN 0.310 nan 8.250 nan 0.000 0.444 73 A N 2.227 125.033 122.820 -0.024 0.000 1.892 73 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 73 A C 1.936 179.510 177.584 -0.017 0.000 1.188 73 A CA 1.754 53.782 52.037 -0.016 0.000 0.631 73 A CB -0.344 18.650 19.000 -0.010 0.000 0.822 73 A HN 0.230 nan 8.150 nan 0.000 0.447 74 K N -0.506 119.881 120.400 -0.022 0.000 2.057 74 K HA 0.007 4.326 4.320 -0.001 0.000 0.206 74 K C 2.287 178.865 176.600 -0.035 0.000 1.050 74 K CA 1.021 57.290 56.287 -0.029 0.000 0.935 74 K CB -0.345 32.131 32.500 -0.039 0.000 0.715 74 K HN 0.427 nan 8.250 nan 0.000 0.439 75 A N 1.306 124.103 122.820 -0.039 0.000 2.019 75 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 75 A C 2.120 179.695 177.584 -0.015 0.000 1.164 75 A CA 1.613 53.631 52.037 -0.032 0.000 0.644 75 A CB -0.456 18.525 19.000 -0.032 0.000 0.805 75 A HN 0.159 nan 8.150 nan 0.000 0.449 76 S N -0.407 115.285 115.700 -0.013 0.000 2.474 76 S HA -0.107 4.363 4.470 -0.001 0.000 0.235 76 S C 2.003 176.600 174.600 -0.005 0.000 0.997 76 S CA 1.612 59.809 58.200 -0.005 0.000 0.949 76 S CB -0.464 62.733 63.200 -0.006 0.000 0.766 76 S HN 0.918 nan 8.310 nan 0.000 0.517 77 T N -0.695 113.853 114.554 -0.011 0.000 3.088 77 T HA 0.147 4.497 4.350 -0.001 0.000 0.259 77 T C 0.553 175.246 174.700 -0.011 0.000 1.122 77 T CA -0.022 62.072 62.100 -0.010 0.000 1.095 77 T CB -0.330 68.530 68.868 -0.014 0.000 0.930 77 T HN 0.035 nan 8.240 nan 0.000 0.508 78 V N 2.195 122.102 119.914 -0.012 0.000 2.488 78 V HA 0.354 4.474 4.120 -0.001 0.000 0.277 78 V C 0.158 176.253 176.094 0.000 0.000 1.046 78 V CA -0.781 61.512 62.300 -0.011 0.000 0.986 78 V CB 0.945 32.757 31.823 -0.017 0.000 0.989 78 V HN 0.411 nan 8.190 nan 0.000 0.475 79 K N 3.876 124.276 120.400 0.001 0.000 2.274 79 K HA 0.774 5.094 4.320 -0.001 0.000 0.262 79 K C -0.673 175.933 176.600 0.009 0.000 0.961 79 K CA -0.400 55.892 56.287 0.008 0.000 0.833 79 K CB 1.541 34.046 32.500 0.008 0.000 1.102 79 K HN 0.839 nan 8.250 nan 0.000 0.436 80 A N 3.764 126.594 122.820 0.017 0.000 2.435 80 A HA 0.565 4.885 4.320 -0.001 0.000 0.304 80 A C -1.487 176.115 177.584 0.031 0.000 1.064 80 A CA -0.991 51.057 52.037 0.019 0.000 0.727 80 A CB 1.176 20.183 19.000 0.012 0.000 1.284 80 A HN 0.838 nan 8.150 nan 0.000 0.415 81 K N 0.798 121.220 120.400 0.036 0.000 2.221 81 K HA 0.772 5.091 4.320 -0.001 0.000 0.243 81 K C -1.048 175.582 176.600 0.050 0.000 0.968 81 K CA -0.774 55.537 56.287 0.040 0.000 0.846 81 K CB 1.309 33.828 32.500 0.031 0.000 1.141 81 K HN 0.334 nan 8.250 nan 0.000 0.434 82 L N 2.521 123.769 121.223 0.042 0.000 2.367 82 L HA 0.204 4.544 4.340 -0.001 0.000 0.275 82 L C -0.765 176.097 176.870 -0.014 0.000 1.129 82 L CA -0.407 54.449 54.840 0.027 0.000 0.839 82 L CB 0.448 42.520 42.059 0.022 0.000 1.133 82 L HN 0.608 nan 8.230 nan 0.000 0.453 83 L N 3.291 124.495 121.223 -0.032 0.000 2.417 83 L HA 0.305 4.645 4.340 -0.001 0.000 0.268 83 L C 0.746 177.527 176.870 -0.147 0.000 1.158 83 L CA 0.392 55.191 54.840 -0.069 0.000 0.819 83 L CB 0.991 43.010 42.059 -0.066 0.000 1.112 83 L HN 0.856 nan 8.230 nan 0.000 0.458 84 S N 1.429 117.051 115.700 -0.131 0.000 2.634 84 S HA 0.233 4.703 4.470 -0.001 0.000 0.261 84 S C 1.312 175.797 174.600 -0.192 0.000 1.271 84 S CA -0.610 57.497 58.200 -0.154 0.000 0.985 84 S CB 0.721 63.860 63.200 -0.101 0.000 0.968 84 S HN 0.317 nan 8.310 nan 0.000 0.568 85 V N 2.156 121.948 119.914 -0.203 0.000 2.287 85 V HA -0.187 3.932 4.120 -0.001 0.000 0.248 85 V C 2.902 178.893 176.094 -0.172 0.000 1.053 85 V CA 2.264 64.425 62.300 -0.231 0.000 1.027 85 V CB -1.249 30.397 31.823 -0.295 0.000 0.646 85 V HN 0.977 nan 8.190 nan 0.000 0.447 86 E N 0.581 120.704 120.200 -0.128 0.000 2.085 86 E HA -0.306 4.044 4.350 -0.001 0.000 0.194 86 E C 1.957 178.490 176.600 -0.112 0.000 0.994 86 E CA 1.768 58.105 56.400 -0.106 0.000 0.801 86 E CB -0.554 29.099 29.700 -0.078 0.000 0.743 86 E HN 0.720 nan 8.360 nan 0.000 0.453 87 E N 1.214 121.343 120.200 -0.117 0.000 2.058 87 E HA -0.142 4.208 4.350 -0.001 0.000 0.194 87 E C 2.153 178.650 176.600 -0.171 0.000 0.997 87 E CA 1.482 57.804 56.400 -0.131 0.000 0.801 87 E CB -0.196 29.434 29.700 -0.117 0.000 0.746 87 E HN 0.399 nan 8.360 nan 0.000 0.450 88 A N 0.481 123.199 122.820 -0.171 0.000 1.898 88 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 88 A C 2.410 179.905 177.584 -0.148 0.000 1.181 88 A CA 1.209 53.142 52.037 -0.174 0.000 0.620 88 A CB -0.832 18.079 19.000 -0.149 0.000 0.819 88 A HN 0.386 nan 8.150 nan 0.000 0.442 89 C N -0.227 118.993 119.300 -0.133 0.000 2.413 89 C HA -0.066 4.394 4.460 -0.001 0.000 0.276 89 C C 2.540 177.468 174.990 -0.103 0.000 1.248 89 C CA 1.241 60.193 59.018 -0.110 0.000 1.742 89 C CB -0.749 26.924 27.740 -0.113 0.000 2.017 89 C HN 0.474 nan 8.230 nan 0.000 0.481 90 K N 0.821 121.158 120.400 -0.104 0.000 2.365 90 K HA 0.092 4.412 4.320 -0.001 0.000 0.199 90 K C 1.452 178.011 176.600 -0.070 0.000 1.045 90 K CA 0.759 57.000 56.287 -0.076 0.000 0.962 90 K CB -0.438 32.020 32.500 -0.069 0.000 0.759 90 K HN 0.538 nan 8.250 nan 0.000 0.469 91 L N 0.891 122.031 121.223 -0.138 0.000 2.599 91 L HA 0.006 4.346 4.340 -0.001 0.000 0.230 91 L C 0.314 177.113 176.870 -0.119 0.000 1.141 91 L CA 0.240 54.973 54.840 -0.177 0.000 0.877 91 L CB -0.129 41.708 42.059 -0.369 0.000 1.009 91 L HN -0.105 nan 8.230 nan 0.000 0.447 92 T N 1.505 115.998 114.554 -0.101 0.000 2.794 92 T HA 0.214 4.564 4.350 -0.001 0.000 0.296 92 T C -2.302 172.286 174.700 -0.187 0.000 0.949 92 T CA -1.185 60.846 62.100 -0.114 0.000 1.101 92 T CB 0.997 69.809 68.868 -0.093 0.000 0.905 92 T HN -0.156 nan 8.240 nan 0.000 0.516 93 P HA 0.087 nan 4.420 nan 0.000 0.265 93 P C -1.879 175.166 177.300 -0.426 0.000 1.187 93 P CA -1.183 61.688 63.100 -0.381 0.000 0.766 93 P CB 0.149 31.731 31.700 -0.197 0.000 0.820 94 P HA -0.137 nan 4.420 nan 0.000 0.218 94 P C 0.191 177.167 177.300 -0.540 0.000 1.148 94 P CA 1.636 64.416 63.100 -0.533 0.000 0.822 94 P CB -0.101 31.255 31.700 -0.573 0.000 0.784 95 H N -1.990 116.959 119.070 -0.202 0.000 2.490 95 H HA 0.307 4.862 4.556 -0.001 0.000 0.285 95 H C 0.242 175.493 175.328 -0.128 0.000 1.127 95 H CA -0.344 55.624 56.048 -0.134 0.000 0.993 95 H CB -0.158 29.540 29.762 -0.107 0.000 1.653 95 H HN -0.051 nan 8.280 nan 0.000 0.557 96 S N 1.217 116.867 115.700 -0.083 0.000 2.562 96 S HA 0.352 4.821 4.470 -0.001 0.000 0.281 96 S C 0.725 175.288 174.600 -0.062 0.000 1.333 96 S CA -0.598 57.547 58.200 -0.090 0.000 1.052 96 S CB 0.192 63.334 63.200 -0.096 0.000 0.884 96 S HN 0.579 nan 8.310 nan 0.000 0.506 97 A N 4.768 127.537 122.820 -0.085 0.000 2.566 97 A HA 0.195 4.515 4.320 -0.001 0.000 0.245 97 A C 0.554 178.132 177.584 -0.010 0.000 1.056 97 A CA -0.010 52.005 52.037 -0.037 0.000 0.757 97 A CB -0.355 18.625 19.000 -0.033 0.000 0.979 97 A HN 0.867 nan 8.150 nan 0.000 0.508 98 K N 2.603 122.990 120.400 -0.022 0.000 2.336 98 K HA 0.295 4.614 4.320 -0.001 0.000 0.262 98 K C 0.470 176.992 176.600 -0.130 0.000 0.992 98 K CA 0.107 56.352 56.287 -0.070 0.000 0.927 98 K CB 0.298 32.756 32.500 -0.069 0.000 0.956 98 K HN 0.420 nan 8.250 nan 0.000 0.495 99 S N 0.271 115.781 115.700 -0.317 0.000 2.584 99 S HA 0.180 4.649 4.470 -0.001 0.000 0.270 99 S C 1.246 175.632 174.600 -0.358 0.000 1.346 99 S CA 0.142 58.094 58.200 -0.413 0.000 1.018 99 S CB 0.566 63.146 63.200 -1.033 0.000 0.899 99 S HN 0.702 nan 8.310 nan 0.000 0.542 100 K N 2.517 122.682 120.400 -0.392 0.000 2.487 100 K HA 0.206 4.526 4.320 -0.001 0.000 0.192 100 K C 0.585 176.707 176.600 -0.796 0.000 1.027 100 K CA 0.831 56.776 56.287 -0.570 0.000 1.054 100 K CB -0.627 31.472 32.500 -0.669 0.000 0.824 100 K HN 0.735 nan 8.250 nan 0.000 0.510 101 F N 0.242 119.992 119.950 -0.334 0.000 2.684 101 F HA 0.385 4.912 4.527 -0.001 0.000 0.298 101 F C 1.382 177.056 175.800 -0.210 0.000 1.120 101 F CA -0.308 57.507 58.000 -0.308 0.000 1.332 101 F CB 0.481 39.166 39.000 -0.525 0.000 0.986 101 F HN 0.243 nan 8.300 nan 0.000 0.524 102 G N 0.962 109.681 108.800 -0.135 0.000 2.303 102 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.260 102 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.260 102 G C -0.521 174.439 174.900 0.100 0.000 1.106 102 G CA 0.106 45.193 45.100 -0.021 0.000 0.900 102 G HN 0.599 nan 8.290 nan 0.000 0.495 103 Y N -2.898 117.398 120.300 -0.006 0.000 2.656 103 Y HA 0.770 5.319 4.550 -0.001 0.000 0.334 103 Y C 0.335 176.233 175.900 -0.003 0.000 1.179 103 Y CA -1.001 57.097 58.100 -0.003 0.000 1.050 103 Y CB 0.490 38.953 38.460 0.005 0.000 1.308 103 Y HN 0.769 nan 8.280 nan 0.000 0.456 104 G N -0.253 108.664 108.800 0.194 0.000 3.013 104 G HA2 0.547 4.507 3.960 -0.001 0.000 0.278 104 G HA3 0.547 4.507 3.960 -0.001 0.000 0.278 104 G C 0.161 175.132 174.900 0.118 0.000 1.353 104 G CA -0.787 44.358 45.100 0.076 0.000 1.043 104 G HN 1.237 nan 8.290 nan 0.000 0.523 105 A N -0.393 122.435 122.820 0.013 0.000 1.972 105 A HA -0.002 4.317 4.320 -0.001 0.000 0.219 105 A C 2.207 179.745 177.584 -0.077 0.000 1.169 105 A CA 1.658 53.674 52.037 -0.036 0.000 0.635 105 A CB -0.283 18.649 19.000 -0.113 0.000 0.810 105 A HN 0.458 nan 8.150 nan 0.000 0.446 106 K N 0.164 120.509 120.400 -0.091 0.000 2.103 106 K HA -0.092 4.227 4.320 -0.001 0.000 0.204 106 K C 1.127 177.694 176.600 -0.055 0.000 1.052 106 K CA 1.259 57.483 56.287 -0.104 0.000 0.945 106 K CB -0.411 32.023 32.500 -0.111 0.000 0.722 106 K HN 0.492 nan 8.250 nan 0.000 0.443 107 D N 1.129 121.525 120.400 -0.006 0.000 2.144 107 D HA -0.093 4.546 4.640 -0.001 0.000 0.200 107 D C 2.137 178.406 176.300 -0.051 0.000 0.978 107 D CA 0.660 54.655 54.000 -0.008 0.000 0.833 107 D CB -0.207 40.622 40.800 0.047 0.000 0.961 107 D HN -0.110 nan 8.370 nan 0.000 0.470 108 V N 1.526 121.428 119.914 -0.020 0.000 2.255 108 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 108 V C 2.535 178.582 176.094 -0.078 0.000 1.051 108 V CA 1.673 63.939 62.300 -0.057 0.000 1.018 108 V CB -0.359 31.473 31.823 0.016 0.000 0.641 108 V HN 0.133 nan 8.190 nan 0.000 0.445 109 R N 0.237 120.690 120.500 -0.078 0.000 2.120 109 R HA -0.105 4.234 4.340 -0.001 0.000 0.234 109 R C 1.833 178.088 176.300 -0.075 0.000 1.123 109 R CA 1.374 57.421 56.100 -0.088 0.000 0.975 109 R CB -0.389 29.843 30.300 -0.114 0.000 0.866 109 R HN 0.527 nan 8.270 nan 0.000 0.446 110 N N 0.952 119.610 118.700 -0.070 0.000 2.461 110 N HA 0.032 4.771 4.740 -0.001 0.000 0.188 110 N C 0.245 175.718 175.510 -0.062 0.000 1.134 110 N CA 0.351 53.366 53.050 -0.059 0.000 0.878 110 N CB 0.270 38.727 38.487 -0.050 0.000 0.972 110 N HN 0.154 nan 8.380 nan 0.000 0.456 111 L N 0.690 121.866 121.223 -0.079 0.000 3.717 111 L HA -0.230 4.109 4.340 -0.001 0.000 0.414 111 L C 0.464 177.281 176.870 -0.087 0.000 1.228 111 L CA -0.042 54.744 54.840 -0.090 0.000 0.918 111 L CB -2.672 39.343 42.059 -0.074 0.000 1.865 111 L HN 0.125 nan 8.230 nan 0.000 0.922 112 S N -0.709 114.936 115.700 -0.092 0.000 2.576 112 S HA 0.254 4.724 4.470 -0.001 0.000 0.272 112 S C 1.525 176.068 174.600 -0.096 0.000 1.352 112 S CA -0.017 58.136 58.200 -0.079 0.000 1.021 112 S CB 1.621 64.782 63.200 -0.065 0.000 0.887 112 S HN 0.497 nan 8.310 nan 0.000 0.542 113 S N 1.987 117.649 115.700 -0.062 0.000 2.402 113 S HA -0.145 4.325 4.470 -0.001 0.000 0.229 113 S C 1.695 176.256 174.600 -0.065 0.000 1.021 113 S CA 1.030 59.201 58.200 -0.049 0.000 0.974 113 S CB -0.535 62.652 63.200 -0.021 0.000 0.800 113 S HN 0.840 nan 8.310 nan 0.000 0.484 114 K N 1.595 121.948 120.400 -0.078 0.000 2.031 114 K HA 0.094 4.413 4.320 -0.001 0.000 0.205 114 K C 2.396 178.836 176.600 -0.267 0.000 1.049 114 K CA 0.975 57.216 56.287 -0.077 0.000 0.939 114 K CB -0.571 31.927 32.500 -0.003 0.000 0.717 114 K HN 0.405 nan 8.250 nan 0.000 0.438 115 A N 0.715 123.223 122.820 -0.520 0.000 1.858 115 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 115 A C 2.252 179.521 177.584 -0.525 0.000 1.190 115 A CA 1.701 53.102 52.037 -1.060 0.000 0.617 115 A CB -0.807 17.711 19.000 -0.803 0.000 0.827 115 A HN 0.168 nan 8.150 nan 0.000 0.443 116 V N 0.919 120.651 119.914 -0.304 0.000 2.295 116 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 116 V C 2.359 178.353 176.094 -0.165 0.000 1.049 116 V CA 2.244 64.400 62.300 -0.241 0.000 1.024 116 V CB -1.044 30.689 31.823 -0.150 0.000 0.648 116 V HN 0.552 nan 8.190 nan 0.000 0.447 117 N N -0.596 118.080 118.700 -0.041 0.000 2.104 117 N HA -0.199 4.541 4.740 -0.001 0.000 0.190 117 N C 1.857 177.400 175.510 0.055 0.000 1.024 117 N CA 1.698 54.785 53.050 0.061 0.000 0.853 117 N CB -0.576 37.941 38.487 0.049 0.000 1.008 117 N HN 0.659 nan 8.380 nan 0.000 0.424 118 H N 0.646 119.671 119.070 -0.075 0.000 2.326 118 H HA 0.029 4.585 4.556 -0.001 0.000 0.301 118 H C 2.083 177.394 175.328 -0.028 0.000 1.081 118 H CA 1.104 57.133 56.048 -0.031 0.000 1.334 118 H CB -0.072 29.737 29.762 0.077 0.000 1.385 118 H HN 0.123 nan 8.280 nan 0.000 0.504 119 I N 0.439 120.918 120.570 -0.152 0.000 2.151 119 I HA -0.341 3.829 4.170 -0.001 0.000 0.243 119 I C 2.380 178.404 176.117 -0.156 0.000 1.080 119 I CA 1.766 62.953 61.300 -0.189 0.000 1.339 119 I CB -0.498 37.363 38.000 -0.232 0.000 1.039 119 I HN 0.368 nan 8.210 nan 0.000 0.409 120 H N -0.269 118.767 119.070 -0.058 0.000 2.387 120 H HA -0.157 4.399 4.556 -0.001 0.000 0.299 120 H C 2.542 177.877 175.328 0.012 0.000 1.090 120 H CA 1.665 57.709 56.048 -0.005 0.000 1.332 120 H CB -0.019 29.728 29.762 -0.026 0.000 1.386 120 H HN 0.393 nan 8.280 nan 0.000 0.516 121 S N 0.136 115.859 115.700 0.037 0.000 2.402 121 S HA -0.110 4.359 4.470 -0.001 0.000 0.229 121 S C 2.221 176.752 174.600 -0.116 0.000 1.021 121 S CA 1.077 59.252 58.200 -0.042 0.000 0.974 121 S CB -0.584 62.570 63.200 -0.076 0.000 0.800 121 S HN 0.157 nan 8.310 nan 0.000 0.484 122 V N 0.839 120.619 119.914 -0.223 0.000 2.307 122 V HA -0.114 4.006 4.120 -0.001 0.000 0.245 122 V C 2.244 178.329 176.094 -0.015 0.000 1.045 122 V CA 1.758 63.950 62.300 -0.181 0.000 1.024 122 V CB -1.132 30.558 31.823 -0.222 0.000 0.651 122 V HN 0.692 nan 8.190 nan 0.000 0.449 123 W N 1.431 122.666 121.300 -0.108 0.000 2.333 123 W HA -0.279 4.381 4.660 -0.001 0.000 0.316 123 W C 2.595 179.092 176.519 -0.038 0.000 1.215 123 W CA 2.501 59.815 57.345 -0.051 0.000 1.278 123 W CB -0.233 29.220 29.460 -0.011 0.000 1.154 123 W HN 0.228 nan 8.180 nan 0.000 0.486 124 K N 0.432 120.898 120.400 0.110 0.000 2.074 124 K HA -0.299 4.021 4.320 -0.001 0.000 0.209 124 K C 1.750 178.296 176.600 -0.091 0.000 1.048 124 K CA 2.415 58.705 56.287 0.006 0.000 0.926 124 K CB -0.626 31.901 32.500 0.046 0.000 0.713 124 K HN 0.062 nan 8.250 nan 0.000 0.444 125 D N 0.086 120.432 120.400 -0.090 0.000 2.117 125 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 125 D C 1.989 178.199 176.300 -0.150 0.000 0.987 125 D CA 0.942 54.879 54.000 -0.104 0.000 0.829 125 D CB 0.049 40.794 40.800 -0.093 0.000 0.961 125 D HN 0.207 nan 8.370 nan 0.000 0.460 126 L N -0.129 120.962 121.223 -0.220 0.000 2.042 126 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 126 L C 2.431 179.113 176.870 -0.313 0.000 1.076 126 L CA 0.808 55.471 54.840 -0.295 0.000 0.749 126 L CB -0.332 41.468 42.059 -0.432 0.000 0.893 126 L HN 0.231 nan 8.230 nan 0.000 0.432 127 L N -0.998 120.010 121.223 -0.359 0.000 2.109 127 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 127 L C 2.413 179.191 176.870 -0.153 0.000 1.086 127 L CA 1.098 55.776 54.840 -0.270 0.000 0.760 127 L CB -0.422 41.484 42.059 -0.255 0.000 0.910 127 L HN 0.255 nan 8.230 nan 0.000 0.437 128 E N -0.792 119.332 120.200 -0.126 0.000 2.112 128 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 128 E C 0.338 176.894 176.600 -0.074 0.000 0.979 128 E CA 0.484 56.835 56.400 -0.082 0.000 0.814 128 E CB 0.191 29.852 29.700 -0.063 0.000 0.762 128 E HN 0.222 nan 8.360 nan 0.000 0.460 129 D N 0.142 120.489 120.400 -0.088 0.000 2.492 129 D HA 0.061 4.701 4.640 -0.001 0.000 0.248 129 D C -0.174 176.077 176.300 -0.082 0.000 1.101 129 D CA -0.286 53.671 54.000 -0.071 0.000 0.840 129 D CB 1.508 42.271 40.800 -0.062 0.000 1.209 129 D HN -0.041 nan 8.370 nan 0.000 0.524 130 T N 0.355 114.870 114.554 -0.065 0.000 3.182 130 T HA 0.214 4.563 4.350 -0.001 0.000 0.277 130 T C 1.114 175.786 174.700 -0.046 0.000 1.013 130 T CA 0.259 62.320 62.100 -0.065 0.000 0.900 130 T CB -0.265 68.568 68.868 -0.058 0.000 1.098 130 T HN 0.208 nan 8.240 nan 0.000 0.543 131 V N -3.122 116.769 119.914 -0.039 0.000 3.431 131 V HA 0.380 4.500 4.120 -0.001 0.000 0.255 131 V C 0.539 176.624 176.094 -0.016 0.000 1.403 131 V CA -0.110 62.176 62.300 -0.024 0.000 1.101 131 V CB -0.225 31.586 31.823 -0.019 0.000 0.891 131 V HN 0.291 nan 8.190 nan 0.000 0.446 132 T N 4.654 119.196 114.554 -0.020 0.000 2.752 132 T HA 0.398 4.748 4.350 -0.001 0.000 0.295 132 T C -2.532 172.168 174.700 -0.001 0.000 0.923 132 T CA -0.555 61.541 62.100 -0.006 0.000 1.112 132 T CB 0.814 69.677 68.868 -0.008 0.000 0.884 132 T HN 0.330 nan 8.240 nan 0.000 0.525 133 P HA 0.147 nan 4.420 nan 0.000 0.266 133 P C -0.269 177.034 177.300 0.006 0.000 1.195 133 P CA -0.126 62.991 63.100 0.028 0.000 0.768 133 P CB 0.353 32.117 31.700 0.107 0.000 0.838 134 I N 2.358 122.913 120.570 -0.024 0.000 2.365 134 I HA 0.140 4.310 4.170 -0.001 0.000 0.291 134 I C 0.913 177.017 176.117 -0.021 0.000 1.004 134 I CA -0.414 60.875 61.300 -0.018 0.000 1.311 134 I CB 0.708 38.686 38.000 -0.037 0.000 1.401 134 I HN 0.315 nan 8.210 nan 0.000 0.491 135 D N 4.460 124.862 120.400 0.003 0.000 2.399 135 D HA 0.182 4.822 4.640 -0.001 0.000 0.241 135 D C -0.278 175.991 176.300 -0.052 0.000 1.133 135 D CA 0.244 54.233 54.000 -0.018 0.000 0.890 135 D CB 0.805 41.608 40.800 0.006 0.000 1.201 135 D HN 0.612 nan 8.370 nan 0.000 0.432 136 T N -0.649 113.846 114.554 -0.099 0.000 2.906 136 T HA 0.613 4.962 4.350 -0.001 0.000 0.295 136 T C -0.354 174.198 174.700 -0.247 0.000 1.075 136 T CA -0.960 61.041 62.100 -0.165 0.000 1.005 136 T CB 1.505 70.294 68.868 -0.131 0.000 1.136 136 T HN 0.217 nan 8.240 nan 0.000 0.498 137 T N 2.078 116.335 114.554 -0.495 0.000 2.795 137 T HA 0.568 4.918 4.350 -0.001 0.000 0.282 137 T C -0.340 174.100 174.700 -0.433 0.000 0.980 137 T CA -0.580 61.202 62.100 -0.529 0.000 1.012 137 T CB 0.673 69.037 68.868 -0.840 0.000 0.936 137 T HN 0.701 nan 8.240 nan 0.000 0.457 138 I N 4.234 124.709 120.570 -0.159 0.000 2.377 138 I HA 0.515 4.685 4.170 -0.001 0.000 0.293 138 I C -0.824 175.318 176.117 0.041 0.000 0.987 138 I CA -0.755 60.537 61.300 -0.013 0.000 1.185 138 I CB 0.653 38.703 38.000 0.082 0.000 1.341 138 I HN 0.410 nan 8.210 nan 0.000 0.455 139 M N 6.122 125.796 119.600 0.124 0.000 2.619 139 M HA 0.509 4.988 4.480 -0.001 0.000 0.297 139 M C -0.643 175.722 176.300 0.108 0.000 1.229 139 M CA -0.654 54.725 55.300 0.133 0.000 0.860 139 M CB 1.856 34.589 32.600 0.221 0.000 1.741 139 M HN 0.578 nan 8.290 nan 0.000 0.462 140 A N 1.813 124.678 122.820 0.075 0.000 2.289 140 A HA 0.505 4.825 4.320 -0.001 0.000 0.298 140 A C -0.198 177.427 177.584 0.068 0.000 1.208 140 A CA -0.521 51.554 52.037 0.063 0.000 0.845 140 A CB 0.248 19.271 19.000 0.038 0.000 1.125 140 A HN 0.753 nan 8.150 nan 0.000 0.517 141 K N 2.035 122.478 120.400 0.072 0.000 2.350 141 K HA 0.108 4.428 4.320 -0.001 0.000 0.279 141 K C -0.632 175.982 176.600 0.023 0.000 1.027 141 K CA 0.167 56.482 56.287 0.047 0.000 0.969 141 K CB 0.502 33.034 32.500 0.054 0.000 0.954 141 K HN 0.767 nan 8.250 nan 0.000 0.474 142 N N 2.804 121.490 118.700 -0.024 0.000 2.462 142 N HA 0.109 4.849 4.740 -0.001 0.000 0.242 142 N C -1.139 174.255 175.510 -0.192 0.000 1.010 142 N CA -0.321 52.680 53.050 -0.082 0.000 0.939 142 N CB 0.988 39.427 38.487 -0.081 0.000 1.127 142 N HN 0.401 nan 8.380 nan 0.000 0.509 143 E N 0.985 121.050 120.200 -0.226 0.000 2.317 143 E HA 0.431 4.781 4.350 -0.001 0.000 0.270 143 E C -0.988 175.204 176.600 -0.681 0.000 0.885 143 E CA -0.963 55.178 56.400 -0.431 0.000 0.760 143 E CB 2.582 32.077 29.700 -0.341 0.000 1.227 143 E HN 0.111 nan 8.360 nan 0.000 0.434 144 V N 3.161 122.532 119.914 -0.905 0.000 2.427 144 V HA 0.486 4.606 4.120 -0.001 0.000 0.286 144 V C -0.800 174.651 176.094 -1.072 0.000 1.034 144 V CA -0.265 61.514 62.300 -0.868 0.000 0.893 144 V CB 0.259 31.669 31.823 -0.690 0.000 0.982 144 V HN 0.503 nan 8.190 nan 0.000 0.452 145 F N 2.117 121.716 119.950 -0.585 0.000 2.650 145 F HA 0.581 5.107 4.527 -0.001 0.000 0.320 145 F C 0.089 175.655 175.800 -0.390 0.000 1.091 145 F CA -0.776 56.939 58.000 -0.474 0.000 0.962 145 F CB 1.305 40.004 39.000 -0.502 0.000 1.363 145 F HN 0.501 nan 8.300 nan 0.000 0.482 146 C N 2.898 122.264 119.300 0.110 0.000 2.350 146 C HA 0.743 5.203 4.460 -0.001 0.000 0.348 146 C C 0.147 175.338 174.990 0.335 0.000 1.260 146 C CA -0.764 58.364 59.018 0.183 0.000 1.966 146 C CB -0.245 27.571 27.740 0.128 0.000 2.380 146 C HN 0.708 nan 8.230 nan 0.000 0.535 147 V N 4.187 124.361 119.914 0.433 0.000 2.814 147 V HA 0.508 4.627 4.120 -0.001 0.000 0.307 147 V C 0.079 176.274 176.094 0.168 0.000 1.089 147 V CA 0.889 63.387 62.300 0.329 0.000 1.212 147 V CB -0.611 31.313 31.823 0.168 0.000 0.912 147 V HN 1.300 nan 8.190 nan 0.000 0.497 154 R N 1.366 121.735 120.500 -0.217 0.000 2.460 154 R HA 0.494 4.833 4.340 -0.001 0.000 0.303 154 R C -0.510 175.721 176.300 -0.114 0.000 0.968 154 R CA -0.595 55.300 56.100 -0.342 0.000 0.889 154 R CB 1.671 31.649 30.300 -0.537 0.000 1.123 154 R HN 0.030 nan 8.270 nan 0.000 0.455 155 K N 3.380 123.782 120.400 0.004 0.000 2.298 155 K HA 0.216 4.535 4.320 -0.001 0.000 0.280 155 K C -2.196 174.424 176.600 0.034 0.000 1.032 155 K CA -1.579 54.681 56.287 -0.045 0.000 0.958 155 K CB 0.495 32.839 32.500 -0.259 0.000 0.978 155 K HN 0.252 nan 8.250 nan 0.000 0.472 156 P HA 0.025 nan 4.420 nan 0.000 0.274 156 P C -0.843 176.504 177.300 0.078 0.000 1.231 156 P CA -0.370 62.753 63.100 0.038 0.000 0.790 156 P CB 0.619 32.327 31.700 0.013 0.000 0.951 157 A N 3.078 125.953 122.820 0.092 0.000 2.520 157 A HA 0.071 4.390 4.320 -0.001 0.000 0.235 157 A C 0.514 178.156 177.584 0.095 0.000 1.065 157 A CA 0.123 52.227 52.037 0.112 0.000 0.764 157 A CB -0.244 18.805 19.000 0.082 0.000 1.002 157 A HN 0.456 nan 8.150 nan 0.000 0.502 158 R N 0.294 120.867 120.500 0.122 0.000 2.560 158 R HA 0.394 4.733 4.340 -0.001 0.000 0.270 158 R C -0.998 175.366 176.300 0.106 0.000 1.074 158 R CA -0.750 55.421 56.100 0.120 0.000 1.140 158 R CB 0.349 30.735 30.300 0.144 0.000 1.073 158 R HN 0.471 nan 8.270 nan 0.000 0.527 159 L N 2.643 123.936 121.223 0.115 0.000 2.295 159 L HA 0.393 4.733 4.340 -0.001 0.000 0.285 159 L C -0.231 176.736 176.870 0.162 0.000 1.035 159 L CA -0.546 54.366 54.840 0.121 0.000 0.806 159 L CB 1.060 43.183 42.059 0.106 0.000 1.214 159 L HN 0.491 nan 8.230 nan 0.000 0.426 160 I N 3.967 124.646 120.570 0.182 0.000 2.354 160 I HA 0.537 4.706 4.170 -0.001 0.000 0.292 160 I C -0.804 175.491 176.117 0.296 0.000 0.989 160 I CA -0.204 61.242 61.300 0.243 0.000 1.188 160 I CB 1.483 39.627 38.000 0.240 0.000 1.342 160 I HN 0.235 nan 8.210 nan 0.000 0.457 161 V N 9.075 129.161 119.914 0.287 0.000 2.444 161 V HA 0.574 4.693 4.120 -0.001 0.000 0.294 161 V C -0.738 175.519 176.094 0.272 0.000 1.022 161 V CA -0.480 61.935 62.300 0.192 0.000 0.850 161 V CB 0.982 32.898 31.823 0.154 0.000 0.992 161 V HN 0.608 nan 8.190 nan 0.000 0.426 162 F N 5.129 125.123 119.950 0.073 0.000 2.619 162 F HA 0.950 5.477 4.527 -0.001 0.000 0.308 162 F C -3.113 172.724 175.800 0.061 0.000 1.097 162 F CA -2.601 55.442 58.000 0.072 0.000 0.953 162 F CB 1.799 40.837 39.000 0.064 0.000 1.287 162 F HN 0.303 nan 8.300 nan 0.000 0.446 163 P HA 0.218 nan 4.420 nan 0.000 0.281 163 P C -1.097 176.322 177.300 0.199 0.000 1.281 163 P CA -0.175 62.988 63.100 0.105 0.000 0.811 163 P CB 1.254 33.020 31.700 0.111 0.000 1.154 164 D N -0.840 119.657 120.400 0.162 0.000 2.400 164 D HA -0.044 4.595 4.640 -0.001 0.000 0.238 164 D C 1.362 177.795 176.300 0.221 0.000 1.157 164 D CA -0.277 53.843 54.000 0.201 0.000 0.889 164 D CB 0.300 41.261 40.800 0.269 0.000 1.199 164 D HN 0.129 nan 8.370 nan 0.000 0.436 165 L N 3.205 124.539 121.223 0.186 0.000 2.043 165 L HA -0.029 4.310 4.340 -0.001 0.000 0.212 165 L C 1.999 179.015 176.870 0.244 0.000 1.075 165 L CA 2.599 57.542 54.840 0.172 0.000 0.752 165 L CB -1.063 41.053 42.059 0.096 0.000 0.891 165 L HN 0.639 nan 8.230 nan 0.000 0.432 166 G N -1.188 107.823 108.800 0.351 0.000 2.418 166 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 166 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 166 G C 1.526 176.541 174.900 0.192 0.000 1.158 166 G CA 1.030 46.350 45.100 0.367 0.000 0.771 166 G HN 0.357 nan 8.290 nan 0.000 0.545 167 V N 0.741 120.764 119.914 0.182 0.000 2.358 167 V HA -0.163 3.957 4.120 -0.001 0.000 0.246 167 V C 2.940 179.119 176.094 0.142 0.000 1.047 167 V CA 1.907 64.286 62.300 0.131 0.000 1.035 167 V CB -0.450 31.440 31.823 0.112 0.000 0.658 167 V HN 0.331 nan 8.190 nan 0.000 0.452 168 R N -0.343 120.249 120.500 0.154 0.000 2.105 168 R HA -0.135 4.204 4.340 -0.001 0.000 0.239 168 R C 2.211 178.579 176.300 0.114 0.000 1.135 168 R CA 1.524 57.708 56.100 0.141 0.000 0.967 168 R CB -0.645 29.733 30.300 0.131 0.000 0.861 168 R HN 0.427 nan 8.270 nan 0.000 0.442 169 V N 0.435 120.410 119.914 0.102 0.000 2.358 169 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 169 V C 2.518 178.652 176.094 0.068 0.000 1.047 169 V CA 1.539 63.870 62.300 0.052 0.000 1.035 169 V CB -0.478 31.361 31.823 0.026 0.000 0.658 169 V HN 0.447 nan 8.190 nan 0.000 0.452 170 C N -0.066 119.318 119.300 0.141 0.000 2.413 170 C HA -0.156 4.303 4.460 -0.001 0.000 0.277 170 C C 2.680 177.865 174.990 0.325 0.000 1.265 170 C CA 1.002 60.198 59.018 0.297 0.000 1.752 170 C CB -1.018 26.937 27.740 0.360 0.000 1.998 170 C HN 0.620 nan 8.230 nan 0.000 0.489 171 E N 0.634 120.966 120.200 0.219 0.000 2.110 171 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 171 E C 2.175 178.899 176.600 0.206 0.000 0.988 171 E CA 1.096 57.630 56.400 0.223 0.000 0.804 171 E CB -0.113 29.724 29.700 0.227 0.000 0.745 171 E HN 0.631 nan 8.360 nan 0.000 0.458 172 K N 0.317 120.810 120.400 0.154 0.000 2.026 172 K HA -0.102 4.218 4.320 -0.001 0.000 0.208 172 K C 2.212 178.880 176.600 0.112 0.000 1.048 172 K CA 1.257 57.623 56.287 0.132 0.000 0.929 172 K CB -0.098 32.410 32.500 0.012 0.000 0.713 172 K HN 0.108 nan 8.250 nan 0.000 0.439 173 M N 0.335 119.962 119.600 0.044 0.000 2.065 173 M HA -0.211 4.269 4.480 -0.001 0.000 0.259 173 M C 2.458 178.810 176.300 0.087 0.000 1.069 173 M CA 1.885 57.150 55.300 -0.059 0.000 1.110 173 M CB -0.415 31.958 32.600 -0.378 0.000 1.328 173 M HN 0.243 nan 8.290 nan 0.000 0.405 174 A N -0.638 122.359 122.820 0.296 0.000 1.968 174 A HA -0.024 4.296 4.320 -0.001 0.000 0.217 174 A C 1.849 179.533 177.584 0.165 0.000 1.169 174 A CA 1.350 53.590 52.037 0.338 0.000 0.638 174 A CB -0.233 18.989 19.000 0.370 0.000 0.812 174 A HN 0.525 nan 8.150 nan 0.000 0.446 175 L N -3.574 117.732 121.223 0.138 0.000 3.174 175 L HA 0.195 4.534 4.340 -0.001 0.000 0.283 175 L C 1.763 178.669 176.870 0.060 0.000 1.187 175 L CA 0.015 54.877 54.840 0.038 0.000 1.018 175 L CB 0.134 42.181 42.059 -0.020 0.000 1.433 175 L HN 0.443 nan 8.230 nan 0.000 0.593 176 Y N 1.357 121.676 120.300 0.032 0.000 2.165 176 Y HA -0.320 4.229 4.550 -0.001 0.000 0.286 176 Y C 2.173 178.112 175.900 0.064 0.000 1.155 176 Y CA 2.340 60.477 58.100 0.061 0.000 1.164 176 Y CB 0.158 38.643 38.460 0.042 0.000 0.978 176 Y HN 0.232 nan 8.280 nan 0.000 0.513 177 D N -0.762 119.695 120.400 0.095 0.000 2.117 177 D HA -0.168 4.471 4.640 -0.001 0.000 0.198 177 D C 2.231 178.486 176.300 -0.073 0.000 0.982 177 D CA 1.428 55.432 54.000 0.008 0.000 0.828 177 D CB -0.249 40.595 40.800 0.074 0.000 0.967 177 D HN 0.249 nan 8.370 nan 0.000 0.464 178 V N 0.512 120.387 119.914 -0.066 0.000 2.233 178 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 178 V C 2.692 178.696 176.094 -0.149 0.000 1.050 178 V CA 1.952 64.192 62.300 -0.101 0.000 1.010 178 V CB -0.727 31.011 31.823 -0.142 0.000 0.637 178 V HN 0.356 nan 8.190 nan 0.000 0.444 179 V N -2.672 117.128 119.914 -0.190 0.000 2.913 179 V HA -0.101 4.019 4.120 -0.001 0.000 0.260 179 V C 2.044 177.995 176.094 -0.238 0.000 1.098 179 V CA 2.088 64.268 62.300 -0.199 0.000 1.121 179 V CB -0.426 31.292 31.823 -0.175 0.000 0.714 179 V HN 0.451 nan 8.190 nan 0.000 0.487 180 S N 0.918 116.470 115.700 -0.247 0.000 2.470 180 S HA -0.021 4.448 4.470 -0.001 0.000 0.225 180 S C 1.864 176.381 174.600 -0.139 0.000 1.006 180 S CA 1.418 59.489 58.200 -0.215 0.000 0.934 180 S CB -0.013 63.006 63.200 -0.302 0.000 0.778 180 S HN 0.963 nan 8.310 nan 0.000 0.517 181 T N -1.347 113.122 114.554 -0.141 0.000 2.964 181 T HA 0.302 4.652 4.350 -0.001 0.000 0.250 181 T C 1.584 176.195 174.700 -0.148 0.000 0.982 181 T CA -0.214 61.819 62.100 -0.112 0.000 0.959 181 T CB -0.443 68.385 68.868 -0.067 0.000 1.141 181 T HN 0.223 nan 8.240 nan 0.000 0.494 182 L N 1.777 122.906 121.223 -0.157 0.000 2.056 182 L HA 0.185 4.525 4.340 -0.001 0.000 0.207 182 L C -0.925 175.787 176.870 -0.264 0.000 1.078 182 L CA 1.097 55.848 54.840 -0.149 0.000 0.749 182 L CB -0.659 41.364 42.059 -0.061 0.000 0.901 182 L HN 0.129 nan 8.230 nan 0.000 0.433 183 P HA -0.210 nan 4.420 nan 0.000 0.216 183 P C 1.333 178.199 177.300 -0.723 0.000 1.153 183 P CA 1.144 63.815 63.100 -0.715 0.000 0.848 183 P CB -0.136 30.783 31.700 -1.300 0.000 0.787 184 Q N 0.116 119.552 119.800 -0.606 0.000 2.170 184 Q HA -0.104 4.236 4.340 -0.001 0.000 0.203 184 Q C 1.908 177.785 176.000 -0.206 0.000 0.976 184 Q CA 1.484 57.116 55.803 -0.285 0.000 0.858 184 Q CB -0.674 27.996 28.738 -0.113 0.000 0.907 184 Q HN 0.084 nan 8.270 nan 0.000 0.433 185 V N 0.055 119.853 119.914 -0.193 0.000 2.358 185 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 185 V C 2.503 178.510 176.094 -0.144 0.000 1.047 185 V CA 1.428 63.649 62.300 -0.132 0.000 1.035 185 V CB -0.476 31.287 31.823 -0.099 0.000 0.658 185 V HN 0.125 nan 8.190 nan 0.000 0.452 186 V N -0.714 119.080 119.914 -0.201 0.000 2.453 186 V HA -0.145 3.974 4.120 -0.001 0.000 0.247 186 V C 2.034 177.959 176.094 -0.281 0.000 1.048 186 V CA 2.004 64.182 62.300 -0.203 0.000 1.049 186 V CB -0.365 31.329 31.823 -0.215 0.000 0.672 186 V HN 0.473 nan 8.190 nan 0.000 0.457 187 M N -1.220 118.139 119.600 -0.403 0.000 2.382 187 M HA 0.351 4.831 4.480 -0.001 0.000 0.247 187 M C 1.521 177.682 176.300 -0.232 0.000 1.104 187 M CA 0.714 55.682 55.300 -0.554 0.000 1.030 187 M CB 0.408 32.541 32.600 -0.780 0.000 1.424 187 M HN 0.435 nan 8.290 nan 0.000 0.486 188 G N 1.856 110.563 108.800 -0.155 0.000 2.652 188 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.318 188 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.318 188 G C 0.911 175.761 174.900 -0.082 0.000 1.295 188 G CA 1.125 46.178 45.100 -0.077 0.000 0.999 188 G HN 0.542 nan 8.290 nan 0.000 0.548 189 S N -0.721 114.962 115.700 -0.027 0.000 2.469 189 S HA 0.068 4.537 4.470 -0.001 0.000 0.238 189 S C 2.214 176.621 174.600 -0.321 0.000 0.998 189 S CA 1.959 60.110 58.200 -0.081 0.000 0.957 189 S CB -0.106 63.185 63.200 0.151 0.000 0.764 189 S HN 0.923 nan 8.310 nan 0.000 0.514 190 S N 0.208 115.836 115.700 -0.119 0.000 2.489 190 S HA 0.124 4.594 4.470 -0.001 0.000 0.228 190 S C 0.205 174.738 174.600 -0.113 0.000 0.995 190 S CA -0.069 58.095 58.200 -0.060 0.000 0.934 190 S CB -0.405 62.885 63.200 0.150 0.000 0.771 190 S HN 0.706 nan 8.310 nan 0.000 0.522 191 Y N 2.937 123.039 120.300 -0.330 0.000 2.584 191 Y HA 0.443 4.993 4.550 -0.001 0.000 0.351 191 Y C 1.276 176.905 175.900 -0.452 0.000 1.030 191 Y CA -1.395 56.490 58.100 -0.359 0.000 1.332 191 Y CB -0.025 38.237 38.460 -0.330 0.000 1.148 191 Y HN 0.061 nan 8.280 nan 0.000 0.528 192 G N 4.623 112.967 108.800 -0.760 0.000 2.422 192 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.218 192 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.218 192 G C 1.131 175.499 174.900 -0.888 0.000 1.146 192 G CA 0.387 45.064 45.100 -0.705 0.000 0.769 192 G HN 0.648 nan 8.290 nan 0.000 0.547 193 F N 1.651 120.878 119.950 -1.205 0.000 2.641 193 F HA -0.002 4.525 4.527 -0.001 0.000 0.298 193 F C 2.846 178.363 175.800 -0.471 0.000 1.146 193 F CA 0.936 58.319 58.000 -1.028 0.000 1.464 193 F CB -0.281 38.126 39.000 -0.989 0.000 1.101 193 F HN 0.404 nan 8.300 nan 0.000 0.585 194 Q N -0.832 118.669 119.800 -0.499 0.000 2.472 194 Q HA -0.089 4.250 4.340 -0.001 0.000 0.208 194 Q C -0.581 175.303 176.000 -0.193 0.000 0.958 194 Q CA 0.755 56.392 55.803 -0.277 0.000 0.932 194 Q CB -0.325 28.162 28.738 -0.419 0.000 1.007 194 Q HN 0.283 nan 8.270 nan 0.000 0.508 195 Y N 1.802 122.124 120.300 0.037 0.000 2.360 195 Y HA 0.313 4.862 4.550 -0.001 0.000 0.337 195 Y C 0.580 176.368 175.900 -0.186 0.000 1.039 195 Y CA -1.518 56.549 58.100 -0.055 0.000 1.109 195 Y CB 1.507 39.894 38.460 -0.121 0.000 1.201 195 Y HN 0.099 nan 8.280 nan 0.000 0.458 196 S N 2.609 118.037 115.700 -0.453 0.000 2.608 196 S HA 0.218 4.687 4.470 -0.001 0.000 0.261 196 S C -1.992 172.293 174.600 -0.524 0.000 1.314 196 S CA -1.006 56.417 58.200 -1.295 0.000 0.992 196 S CB 1.095 63.633 63.200 -1.104 0.000 0.935 196 S HN 0.428 nan 8.310 nan 0.000 0.564 197 P HA -0.000 nan 4.420 nan 0.000 0.216 197 P C 1.682 178.911 177.300 -0.119 0.000 1.150 197 P CA 1.675 64.668 63.100 -0.178 0.000 0.843 197 P CB -0.508 31.132 31.700 -0.101 0.000 0.787 198 G N -0.397 108.306 108.800 -0.162 0.000 2.408 198 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.217 198 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 198 G C 1.519 176.351 174.900 -0.113 0.000 1.150 198 G CA 0.528 45.573 45.100 -0.091 0.000 0.776 198 G HN 0.307 nan 8.290 nan 0.000 0.542 199 Q N -0.536 119.174 119.800 -0.150 0.000 2.172 199 Q HA 0.046 4.386 4.340 -0.001 0.000 0.200 199 Q C 2.578 178.367 176.000 -0.351 0.000 0.964 199 Q CA 0.734 56.443 55.803 -0.155 0.000 0.855 199 Q CB -0.108 28.630 28.738 -0.000 0.000 0.918 199 Q HN 0.435 nan 8.270 nan 0.000 0.444 200 R N 0.411 120.751 120.500 -0.267 0.000 2.073 200 R HA -0.150 4.190 4.340 -0.001 0.000 0.234 200 R C 2.072 178.262 176.300 -0.183 0.000 1.134 200 R CA 1.362 57.299 56.100 -0.272 0.000 0.952 200 R CB -0.162 30.099 30.300 -0.065 0.000 0.850 200 R HN 0.103 nan 8.270 nan 0.000 0.433 201 V N 1.261 121.095 119.914 -0.132 0.000 2.295 201 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 201 V C 2.358 178.358 176.094 -0.157 0.000 1.049 201 V CA 2.271 64.496 62.300 -0.124 0.000 1.024 201 V CB -0.648 31.139 31.823 -0.060 0.000 0.648 201 V HN 0.501 nan 8.190 nan 0.000 0.447 202 E N -0.300 119.820 120.200 -0.132 0.000 2.058 202 E HA -0.296 4.053 4.350 -0.001 0.000 0.194 202 E C 2.112 178.632 176.600 -0.134 0.000 0.997 202 E CA 1.913 58.242 56.400 -0.117 0.000 0.801 202 E CB -0.255 29.395 29.700 -0.083 0.000 0.746 202 E HN 0.539 nan 8.360 nan 0.000 0.450 203 F N 1.158 120.902 119.950 -0.345 0.000 2.095 203 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 203 F C 1.920 177.592 175.800 -0.214 0.000 1.104 203 F CA 1.454 59.252 58.000 -0.337 0.000 1.232 203 F CB -0.292 38.338 39.000 -0.618 0.000 0.987 203 F HN 0.015 nan 8.300 nan 0.000 0.475 204 L N -0.763 120.308 121.223 -0.253 0.000 2.017 204 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 204 L C 2.395 179.097 176.870 -0.279 0.000 1.073 204 L CA 1.161 55.826 54.840 -0.291 0.000 0.745 204 L CB -0.900 41.044 42.059 -0.192 0.000 0.894 204 L HN 0.009 nan 8.230 nan 0.000 0.432 205 V N 0.062 119.798 119.914 -0.296 0.000 2.295 205 V HA -0.276 3.844 4.120 -0.001 0.000 0.246 205 V C 2.231 178.227 176.094 -0.164 0.000 1.049 205 V CA 1.929 64.051 62.300 -0.296 0.000 1.024 205 V CB -0.720 30.827 31.823 -0.459 0.000 0.648 205 V HN 0.473 nan 8.190 nan 0.000 0.447 206 N N 0.141 118.728 118.700 -0.189 0.000 2.104 206 N HA -0.144 4.595 4.740 -0.001 0.000 0.190 206 N C 1.911 177.308 175.510 -0.188 0.000 1.024 206 N CA 1.976 54.934 53.050 -0.153 0.000 0.853 206 N CB -0.722 37.686 38.487 -0.133 0.000 1.008 206 N HN 0.474 nan 8.380 nan 0.000 0.424 207 T N 0.414 114.768 114.554 -0.333 0.000 2.708 207 T HA -0.149 4.201 4.350 -0.001 0.000 0.266 207 T C 1.504 176.118 174.700 -0.143 0.000 1.037 207 T CA 0.719 62.617 62.100 -0.336 0.000 1.146 207 T CB -0.253 68.250 68.868 -0.609 0.000 0.865 207 T HN 0.423 nan 8.240 nan 0.000 0.435 208 W N 2.288 123.421 121.300 -0.279 0.000 2.355 208 W HA -0.103 4.557 4.660 -0.001 0.000 0.309 208 W C 1.840 178.273 176.519 -0.145 0.000 1.206 208 W CA 1.211 58.438 57.345 -0.198 0.000 1.284 208 W CB -0.174 29.161 29.460 -0.207 0.000 1.145 208 W HN 0.249 nan 8.180 nan 0.000 0.502 209 K N 0.272 120.689 120.400 0.028 0.000 2.362 209 K HA -0.130 4.189 4.320 -0.001 0.000 0.200 209 K C 1.968 178.510 176.600 -0.098 0.000 1.046 209 K CA 1.508 57.773 56.287 -0.035 0.000 0.952 209 K CB -0.314 32.188 32.500 0.003 0.000 0.753 209 K HN 0.064 nan 8.250 nan 0.000 0.466 210 S N 0.510 116.138 115.700 -0.120 0.000 2.603 210 S HA 0.023 4.493 4.470 -0.001 0.000 0.220 210 S C 0.341 174.860 174.600 -0.135 0.000 0.967 210 S CA 0.050 58.184 58.200 -0.111 0.000 0.920 210 S CB 0.086 63.222 63.200 -0.105 0.000 0.773 210 S HN -0.030 nan 8.310 nan 0.000 0.529 211 K N 1.576 121.856 120.400 -0.201 0.000 2.164 211 K HA 0.418 4.738 4.320 -0.001 0.000 0.258 211 K C 0.270 176.749 176.600 -0.201 0.000 0.951 211 K CA -0.582 55.576 56.287 -0.215 0.000 0.844 211 K CB 1.515 33.833 32.500 -0.303 0.000 1.099 211 K HN 0.073 nan 8.250 nan 0.000 0.435 212 K N 1.039 121.353 120.400 -0.143 0.000 2.026 212 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 212 K C 0.983 177.506 176.600 -0.129 0.000 1.048 212 K CA 1.794 58.014 56.287 -0.111 0.000 0.929 212 K CB -0.083 32.370 32.500 -0.078 0.000 0.713 212 K HN 0.784 nan 8.250 nan 0.000 0.439 213 N N 2.588 121.201 118.700 -0.144 0.000 2.682 213 N HA 0.202 4.941 4.740 -0.001 0.000 0.252 213 N C -2.910 172.464 175.510 -0.227 0.000 1.081 213 N CA -1.745 51.217 53.050 -0.146 0.000 0.844 213 N CB 0.540 38.979 38.487 -0.080 0.000 1.167 213 N HN -0.096 nan 8.380 nan 0.000 0.523 214 P HA 0.277 nan 4.420 nan 0.000 0.271 214 P C -0.591 176.394 177.300 -0.525 0.000 1.218 214 P CA -0.242 62.374 63.100 -0.806 0.000 0.780 214 P CB 1.318 31.858 31.700 -1.933 0.000 0.901 215 M N 1.850 121.209 119.600 -0.401 0.000 2.484 215 M HA 0.658 5.138 4.480 -0.001 0.000 0.289 215 M C -1.286 175.005 176.300 -0.014 0.000 1.206 215 M CA -0.317 54.895 55.300 -0.146 0.000 0.892 215 M CB 2.500 35.077 32.600 -0.039 0.000 1.712 215 M HN 0.592 nan 8.290 nan 0.000 0.462 216 G N 3.307 112.196 108.800 0.148 0.000 2.690 216 G HA2 0.836 4.796 3.960 -0.001 0.000 0.293 216 G HA3 0.836 4.796 3.960 -0.001 0.000 0.293 216 G C -2.085 172.913 174.900 0.164 0.000 1.399 216 G CA -0.627 44.577 45.100 0.172 0.000 0.890 216 G HN 0.841 nan 8.290 nan 0.000 0.485 217 F N -0.442 119.477 119.950 -0.052 0.000 2.665 217 F HA 0.769 5.296 4.527 -0.000 0.000 0.308 217 F C -0.214 175.573 175.800 -0.021 0.000 1.112 217 F CA -1.374 56.590 58.000 -0.059 0.000 0.972 217 F CB 1.260 40.208 39.000 -0.087 0.000 1.295 217 F HN 0.656 nan 8.300 nan 0.000 0.440 218 S N 1.363 117.140 115.700 0.129 0.000 2.616 218 S HA 0.611 5.081 4.470 -0.001 0.000 0.277 218 S C -1.463 173.320 174.600 0.305 0.000 1.234 218 S CA -0.551 57.705 58.200 0.093 0.000 1.028 218 S CB 1.570 64.802 63.200 0.054 0.000 0.988 218 S HN 0.842 nan 8.310 nan 0.000 0.522 219 Y N 1.148 121.543 120.300 0.159 0.000 2.328 219 Y HA 0.435 4.984 4.550 -0.001 0.000 0.333 219 Y C -0.953 175.064 175.900 0.196 0.000 0.958 219 Y CA -0.903 57.360 58.100 0.271 0.000 1.167 219 Y CB 1.394 40.110 38.460 0.426 0.000 1.151 219 Y HN 0.861 nan 8.280 nan 0.000 0.470 220 D N 4.418 124.636 120.400 -0.303 0.000 2.443 220 D HA 0.224 4.863 4.640 -0.001 0.000 0.221 220 D C -0.700 175.427 176.300 -0.288 0.000 1.097 220 D CA -0.106 53.786 54.000 -0.180 0.000 0.865 220 D CB 0.823 41.560 40.800 -0.105 0.000 1.034 220 D HN 0.470 nan 8.370 nan 0.000 0.511 221 T N 3.344 117.901 114.554 0.005 0.000 2.901 221 T HA 0.097 4.446 4.350 -0.001 0.000 0.301 221 T C 0.580 175.363 174.700 0.138 0.000 1.012 221 T CA -0.380 61.824 62.100 0.173 0.000 1.135 221 T CB 0.668 69.879 68.868 0.571 0.000 0.936 221 T HN 0.300 nan 8.240 nan 0.000 0.539 222 R N 2.087 122.634 120.500 0.078 0.000 2.399 222 R HA 0.126 4.466 4.340 -0.001 0.000 0.324 222 R C -0.165 176.226 176.300 0.150 0.000 1.030 222 R CA -0.213 55.921 56.100 0.056 0.000 0.984 222 R CB -0.768 29.507 30.300 -0.041 0.000 0.961 222 R HN 0.936 nan 8.270 nan 0.000 0.433 223 C N 5.411 124.830 119.300 0.200 0.000 3.514 223 C HA -0.169 4.291 4.460 -0.001 0.000 0.286 223 C C 1.350 176.546 174.990 0.343 0.000 1.302 223 C CA 0.146 59.336 59.018 0.286 0.000 2.239 223 C CB -2.884 25.071 27.740 0.358 0.000 1.429 223 C HN 1.003 nan 8.230 nan 0.000 0.565 224 F N 1.782 121.847 119.950 0.191 0.000 2.091 224 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 224 F C 1.935 177.846 175.800 0.184 0.000 1.103 224 F CA 2.404 60.518 58.000 0.189 0.000 1.228 224 F CB -0.019 39.081 39.000 0.166 0.000 0.984 224 F HN 0.457 nan 8.300 nan 0.000 0.477 225 D N -0.322 120.317 120.400 0.398 0.000 2.133 225 D HA -0.175 4.464 4.640 -0.001 0.000 0.195 225 D C 2.452 178.816 176.300 0.107 0.000 0.997 225 D CA 1.710 55.869 54.000 0.264 0.000 0.840 225 D CB -0.537 40.421 40.800 0.264 0.000 0.947 225 D HN 0.242 nan 8.370 nan 0.000 0.452 226 S N -0.545 115.240 115.700 0.142 0.000 2.419 226 S HA -0.130 4.340 4.470 -0.001 0.000 0.233 226 S C 2.039 176.593 174.600 -0.077 0.000 1.016 226 S CA 1.475 59.669 58.200 -0.010 0.000 0.974 226 S CB -0.351 62.898 63.200 0.082 0.000 0.786 226 S HN 0.549 nan 8.310 nan 0.000 0.492 227 T N -0.403 114.183 114.554 0.054 0.000 3.055 227 T HA 0.100 4.449 4.350 -0.001 0.000 0.265 227 T C 0.613 175.234 174.700 -0.132 0.000 1.111 227 T CA 0.098 62.209 62.100 0.019 0.000 1.118 227 T CB -0.423 68.399 68.868 -0.077 0.000 0.909 227 T HN 0.060 nan 8.240 nan 0.000 0.501 228 V N 4.056 123.863 119.914 -0.178 0.000 2.439 228 V HA 0.327 4.447 4.120 -0.001 0.000 0.271 228 V C 1.091 177.133 176.094 -0.087 0.000 1.040 228 V CA -0.370 61.848 62.300 -0.136 0.000 1.002 228 V CB 0.007 31.790 31.823 -0.066 0.000 1.000 228 V HN 0.703 nan 8.190 nan 0.000 0.477 229 T N 0.703 115.220 114.554 -0.062 0.000 2.881 229 T HA 0.294 4.644 4.350 -0.001 0.000 0.278 229 T C 1.089 175.781 174.700 -0.014 0.000 0.982 229 T CA -0.274 61.800 62.100 -0.042 0.000 0.989 229 T CB 1.480 70.323 68.868 -0.041 0.000 1.058 229 T HN 0.698 nan 8.240 nan 0.000 0.529 230 E N 0.738 120.941 120.200 0.004 0.000 2.114 230 E HA -0.334 4.015 4.350 -0.001 0.000 0.199 230 E C 1.921 178.536 176.600 0.025 0.000 1.008 230 E CA 1.966 58.380 56.400 0.023 0.000 0.810 230 E CB -0.267 29.455 29.700 0.037 0.000 0.739 230 E HN 0.796 nan 8.360 nan 0.000 0.456 231 N N 0.554 119.264 118.700 0.016 0.000 2.036 231 N HA -0.212 4.527 4.740 -0.001 0.000 0.195 231 N C 1.499 177.027 175.510 0.029 0.000 1.037 231 N CA 2.249 55.308 53.050 0.015 0.000 0.855 231 N CB -0.177 38.302 38.487 -0.014 0.000 1.033 231 N HN 0.146 nan 8.380 nan 0.000 0.423 232 D N 0.025 120.439 120.400 0.022 0.000 2.133 232 D HA -0.149 4.491 4.640 -0.001 0.000 0.195 232 D C 1.984 178.299 176.300 0.026 0.000 0.997 232 D CA 1.109 55.133 54.000 0.041 0.000 0.840 232 D CB -0.293 40.523 40.800 0.026 0.000 0.947 232 D HN 0.486 nan 8.370 nan 0.000 0.452 233 I N 0.501 121.087 120.570 0.027 0.000 2.353 233 I HA -0.166 4.003 4.170 -0.001 0.000 0.248 233 I C 2.447 178.585 176.117 0.034 0.000 1.119 233 I CA 0.767 62.090 61.300 0.039 0.000 1.417 233 I CB -0.059 37.984 38.000 0.072 0.000 1.078 233 I HN -0.112 nan 8.210 nan 0.000 0.421 234 R N 0.136 120.655 120.500 0.033 0.000 2.092 234 R HA -0.083 4.256 4.340 -0.001 0.000 0.231 234 R C 2.311 178.604 176.300 -0.011 0.000 1.119 234 R CA 1.016 57.131 56.100 0.024 0.000 0.970 234 R CB -0.455 29.863 30.300 0.029 0.000 0.864 234 R HN 0.206 nan 8.270 nan 0.000 0.440 235 V N 1.545 121.452 119.914 -0.011 0.000 2.295 235 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 235 V C 1.978 177.988 176.094 -0.141 0.000 1.049 235 V CA 1.882 64.159 62.300 -0.039 0.000 1.024 235 V CB -0.430 31.405 31.823 0.022 0.000 0.648 235 V HN 0.340 nan 8.190 nan 0.000 0.447 236 E N -0.322 119.768 120.200 -0.184 0.000 2.058 236 E HA -0.268 4.082 4.350 -0.001 0.000 0.194 236 E C 2.388 178.564 176.600 -0.706 0.000 0.997 236 E CA 1.436 57.572 56.400 -0.440 0.000 0.801 236 E CB -0.230 29.258 29.700 -0.352 0.000 0.746 236 E HN 0.541 nan 8.360 nan 0.000 0.450 237 E N 0.661 120.681 120.200 -0.301 0.000 2.085 237 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 237 E C 2.177 178.733 176.600 -0.074 0.000 0.994 237 E CA 1.660 58.023 56.400 -0.061 0.000 0.801 237 E CB -0.059 29.706 29.700 0.107 0.000 0.743 237 E HN 0.256 nan 8.360 nan 0.000 0.453 238 S N 0.183 115.829 115.700 -0.091 0.000 2.399 238 S HA -0.131 4.338 4.470 -0.001 0.000 0.231 238 S C 2.205 176.758 174.600 -0.077 0.000 1.022 238 S CA 1.060 59.228 58.200 -0.053 0.000 0.983 238 S CB -0.575 62.598 63.200 -0.044 0.000 0.803 238 S HN 0.281 nan 8.310 nan 0.000 0.480 239 I N 0.271 120.736 120.570 -0.174 0.000 2.163 239 I HA -0.149 4.021 4.170 -0.001 0.000 0.240 239 I C 2.385 178.467 176.117 -0.058 0.000 1.081 239 I CA 1.436 62.639 61.300 -0.161 0.000 1.353 239 I CB -0.610 37.245 38.000 -0.241 0.000 1.054 239 I HN 0.206 nan 8.210 nan 0.000 0.407 240 Y N 1.139 121.432 120.300 -0.012 0.000 2.151 240 Y HA -0.280 4.270 4.550 -0.001 0.000 0.284 240 Y C 2.675 178.578 175.900 0.005 0.000 1.166 240 Y CA 0.921 59.018 58.100 -0.004 0.000 1.163 240 Y CB -1.099 37.372 38.460 0.018 0.000 0.974 240 Y HN 0.275 nan 8.280 nan 0.000 0.511 241 Q N -1.326 118.567 119.800 0.156 0.000 2.369 241 Q HA -0.107 4.232 4.340 -0.001 0.000 0.206 241 Q C 2.369 178.402 176.000 0.056 0.000 0.963 241 Q CA 0.964 56.824 55.803 0.095 0.000 0.894 241 Q CB -0.799 27.981 28.738 0.070 0.000 0.965 241 Q HN 0.534 nan 8.270 nan 0.000 0.475 242 C N 0.418 119.742 119.300 0.041 0.000 2.419 242 C HA -0.075 4.384 4.460 -0.001 0.000 0.281 242 C C 1.609 176.615 174.990 0.026 0.000 1.336 242 C CA -0.618 58.412 59.018 0.021 0.000 1.770 242 C CB -0.824 26.917 27.740 0.001 0.000 1.929 242 C HN 0.411 nan 8.230 nan 0.000 0.509 243 C N 2.027 121.353 119.300 0.043 0.000 2.703 243 C HA 0.101 4.560 4.460 -0.001 0.000 0.411 243 C C 0.614 175.624 174.990 0.033 0.000 1.290 243 C CA -0.254 58.785 59.018 0.036 0.000 2.054 243 C CB -0.320 27.448 27.740 0.048 0.000 2.732 243 C HN 0.511 nan 8.230 nan 0.000 0.650 244 D N 2.102 122.517 120.400 0.024 0.000 2.344 244 D HA 0.417 5.056 4.640 -0.001 0.000 0.253 244 D C -0.579 175.740 176.300 0.030 0.000 1.255 244 D CA 0.370 54.384 54.000 0.024 0.000 0.894 244 D CB -0.089 40.721 40.800 0.017 0.000 1.067 244 D HN 0.399 nan 8.370 nan 0.000 0.492 245 L N 2.021 123.266 121.223 0.037 0.000 2.371 245 L HA 0.647 4.987 4.340 -0.001 0.000 0.262 245 L C 0.400 177.298 176.870 0.048 0.000 1.006 245 L CA -1.519 53.349 54.840 0.047 0.000 0.818 245 L CB 1.778 43.871 42.059 0.057 0.000 1.354 245 L HN 0.292 nan 8.230 nan 0.000 0.415 246 A N 1.735 124.589 122.820 0.057 0.000 2.531 246 A HA 0.297 4.616 4.320 -0.001 0.000 0.236 246 A C -1.781 175.844 177.584 0.067 0.000 1.062 246 A CA -0.708 51.366 52.037 0.061 0.000 0.760 246 A CB -0.240 18.805 19.000 0.074 0.000 0.995 246 A HN 0.640 nan 8.150 nan 0.000 0.501 247 P HA -0.149 nan 4.420 nan 0.000 0.219 247 P C 1.214 178.546 177.300 0.055 0.000 1.146 247 P CA 1.495 64.623 63.100 0.046 0.000 0.808 247 P CB 0.247 31.968 31.700 0.035 0.000 0.779 248 E N -0.280 119.974 120.200 0.089 0.000 2.106 248 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 248 E C 1.949 178.641 176.600 0.152 0.000 0.984 248 E CA 1.014 57.492 56.400 0.130 0.000 0.806 248 E CB -0.432 29.408 29.700 0.234 0.000 0.750 248 E HN 0.080 nan 8.360 nan 0.000 0.458 249 A N 1.156 124.083 122.820 0.178 0.000 1.930 249 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 249 A C 2.095 179.731 177.584 0.088 0.000 1.175 249 A CA 1.126 53.268 52.037 0.174 0.000 0.627 249 A CB -0.365 18.729 19.000 0.156 0.000 0.815 249 A HN 0.150 nan 8.150 nan 0.000 0.443 250 R N -1.000 119.539 120.500 0.065 0.000 2.083 250 R HA -0.200 4.140 4.340 -0.001 0.000 0.237 250 R C 2.501 178.809 176.300 0.012 0.000 1.137 250 R CA 1.811 57.938 56.100 0.045 0.000 0.951 250 R CB -0.289 30.034 30.300 0.039 0.000 0.851 250 R HN 0.658 nan 8.270 nan 0.000 0.434 251 Q N 0.666 120.455 119.800 -0.018 0.000 2.046 251 Q HA -0.057 4.283 4.340 -0.001 0.000 0.200 251 Q C 1.971 177.886 176.000 -0.141 0.000 0.975 251 Q CA 1.913 57.672 55.803 -0.072 0.000 0.836 251 Q CB -0.262 28.423 28.738 -0.088 0.000 0.896 251 Q HN 0.310 nan 8.270 nan 0.000 0.428 252 A N 0.333 123.025 122.820 -0.214 0.000 1.908 252 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 252 A C 2.143 179.640 177.584 -0.145 0.000 1.181 252 A CA 1.727 53.559 52.037 -0.342 0.000 0.627 252 A CB -0.836 17.850 19.000 -0.523 0.000 0.818 252 A HN 0.501 nan 8.150 nan 0.000 0.445 253 I N -0.774 119.781 120.570 -0.025 0.000 2.202 253 I HA -0.246 3.924 4.170 -0.001 0.000 0.242 253 I C 2.518 178.674 176.117 0.064 0.000 1.091 253 I CA 1.737 63.074 61.300 0.061 0.000 1.368 253 I CB -0.271 37.796 38.000 0.111 0.000 1.058 253 I HN 0.357 nan 8.210 nan 0.000 0.410 254 K N 0.524 120.944 120.400 0.032 0.000 2.034 254 K HA -0.271 4.049 4.320 -0.001 0.000 0.214 254 K C 2.382 178.967 176.600 -0.025 0.000 1.051 254 K CA 2.197 58.495 56.287 0.018 0.000 0.931 254 K CB -0.200 32.298 32.500 -0.004 0.000 0.715 254 K HN 0.158 nan 8.250 nan 0.000 0.446 255 S N 0.576 116.227 115.700 -0.081 0.000 2.348 255 S HA -0.093 4.376 4.470 -0.001 0.000 0.221 255 S C 1.987 176.493 174.600 -0.157 0.000 1.033 255 S CA 1.231 59.358 58.200 -0.122 0.000 1.010 255 S CB -0.254 62.842 63.200 -0.174 0.000 0.891 255 S HN 0.343 nan 8.310 nan 0.000 0.442 256 L N 0.799 121.898 121.223 -0.207 0.000 2.127 256 L HA -0.110 4.229 4.340 -0.001 0.000 0.211 256 L C 2.690 179.267 176.870 -0.489 0.000 1.089 256 L CA 1.429 56.027 54.840 -0.402 0.000 0.757 256 L CB -0.879 40.902 42.059 -0.464 0.000 0.899 256 L HN 0.347 nan 8.230 nan 0.000 0.434 257 T N -1.121 113.356 114.554 -0.128 0.000 2.737 257 T HA -0.143 4.207 4.350 -0.001 0.000 0.265 257 T C 1.810 176.524 174.700 0.022 0.000 1.038 257 T CA 1.111 63.267 62.100 0.093 0.000 1.144 257 T CB -0.067 68.926 68.868 0.208 0.000 0.866 257 T HN 0.276 nan 8.240 nan 0.000 0.434 258 E N 1.129 121.320 120.200 -0.016 0.000 2.072 258 E HA -0.025 4.324 4.350 -0.001 0.000 0.191 258 E C 2.389 178.971 176.600 -0.031 0.000 0.985 258 E CA 1.064 57.457 56.400 -0.012 0.000 0.801 258 E CB -0.127 29.560 29.700 -0.021 0.000 0.750 258 E HN 0.439 nan 8.360 nan 0.000 0.452 259 R N -0.613 119.839 120.500 -0.080 0.000 2.189 259 R HA 0.100 4.439 4.340 -0.001 0.000 0.203 259 R C 1.909 178.148 176.300 -0.101 0.000 1.012 259 R CA 0.273 56.326 56.100 -0.078 0.000 1.015 259 R CB 0.242 30.485 30.300 -0.095 0.000 0.938 259 R HN 0.044 nan 8.270 nan 0.000 0.472 260 L N -1.953 119.164 121.223 -0.177 0.000 2.666 260 L HA 0.182 4.521 4.340 -0.001 0.000 0.184 260 L C 1.345 178.182 176.870 -0.055 0.000 1.092 260 L CA 0.865 55.594 54.840 -0.184 0.000 0.857 260 L CB -0.263 41.595 42.059 -0.335 0.000 1.281 260 L HN -0.116 nan 8.230 nan 0.000 0.489 261 Y N 0.294 120.609 120.300 0.025 0.000 2.200 261 Y HA -0.049 4.500 4.550 -0.001 0.000 0.290 261 Y C 2.526 178.434 175.900 0.014 0.000 1.137 261 Y CA 1.418 59.541 58.100 0.038 0.000 1.163 261 Y CB -0.880 37.627 38.460 0.078 0.000 0.988 261 Y HN 0.115 nan 8.280 nan 0.000 0.518 262 I N -0.938 119.722 120.570 0.150 0.000 2.493 262 I HA -0.028 4.141 4.170 -0.001 0.000 0.254 262 I C 1.180 177.308 176.117 0.017 0.000 1.160 262 I CA 1.279 62.626 61.300 0.078 0.000 1.445 262 I CB -0.333 37.706 38.000 0.064 0.000 1.086 262 I HN 0.292 nan 8.210 nan 0.000 0.433 263 G N -1.031 107.757 108.800 -0.020 0.000 2.320 263 G HA2 0.482 4.442 3.960 -0.001 0.000 0.297 263 G HA3 0.482 4.442 3.960 -0.001 0.000 0.297 263 G C -1.021 173.722 174.900 -0.261 0.000 1.344 263 G CA -0.190 44.823 45.100 -0.144 0.000 0.851 263 G HN 0.384 nan 8.290 nan 0.000 0.567 264 G N -0.879 107.485 108.800 -0.727 0.000 2.328 264 G HA2 0.702 4.661 3.960 -0.001 0.000 0.299 264 G HA3 0.702 4.661 3.960 -0.001 0.000 0.299 264 G C -3.507 170.770 174.900 -1.037 0.000 1.435 264 G CA 0.006 44.667 45.100 -0.733 0.000 0.865 264 G HN 0.732 nan 8.290 nan 0.000 0.601 265 P HA 0.490 nan 4.420 nan 0.000 0.274 265 P C -0.472 176.739 177.300 -0.148 0.000 1.231 265 P CA -0.238 62.761 63.100 -0.167 0.000 0.790 265 P CB 1.091 32.829 31.700 0.063 0.000 0.951 266 L N 1.826 123.008 121.223 -0.068 0.000 2.322 266 L HA 0.487 4.827 4.340 -0.001 0.000 0.281 266 L C 0.389 177.265 176.870 0.011 0.000 1.014 266 L CA -0.210 54.614 54.840 -0.026 0.000 0.815 266 L CB 1.661 43.744 42.059 0.040 0.000 1.247 266 L HN 0.258 nan 8.230 nan 0.000 0.421 267 T N 1.464 116.002 114.554 -0.027 0.000 2.824 267 T HA 0.313 4.663 4.350 -0.001 0.000 0.282 267 T C -0.222 174.460 174.700 -0.030 0.000 0.993 267 T CA -0.850 61.237 62.100 -0.022 0.000 0.967 267 T CB 1.393 70.232 68.868 -0.048 0.000 0.960 267 T HN 0.654 nan 8.240 nan 0.000 0.441 268 N N 0.968 119.667 118.700 -0.001 0.000 2.327 268 N HA 0.087 4.827 4.740 -0.001 0.000 0.257 268 N C 1.378 176.877 175.510 -0.018 0.000 1.281 268 N CA -0.294 52.755 53.050 -0.002 0.000 0.942 268 N CB 0.143 38.638 38.487 0.013 0.000 1.199 268 N HN 0.447 nan 8.380 nan 0.000 0.532 269 S N -1.427 114.271 115.700 -0.004 0.000 2.507 269 S HA -0.063 4.407 4.470 -0.001 0.000 0.235 269 S C 0.965 175.559 174.600 -0.009 0.000 0.988 269 S CA 0.572 58.771 58.200 -0.001 0.000 0.944 269 S CB -0.414 62.799 63.200 0.021 0.000 0.762 269 S HN 0.631 nan 8.310 nan 0.000 0.526 270 K N 0.673 121.069 120.400 -0.007 0.000 2.404 270 K HA 0.277 4.597 4.320 -0.001 0.000 0.194 270 K C 1.206 177.797 176.600 -0.015 0.000 1.023 270 K CA 0.358 56.639 56.287 -0.009 0.000 1.094 270 K CB -0.040 32.459 32.500 -0.002 0.000 0.841 270 K HN 0.515 nan 8.250 nan 0.000 0.523 271 G N 1.825 110.613 108.800 -0.021 0.000 2.143 271 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.249 271 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.249 271 G C -0.287 174.607 174.900 -0.010 0.000 0.981 271 G CA -0.086 44.999 45.100 -0.025 0.000 0.665 271 G HN 0.351 nan 8.290 nan 0.000 0.528 272 Q N 0.110 119.911 119.800 0.001 0.000 2.259 272 Q HA 0.319 4.659 4.340 -0.001 0.000 0.249 272 Q C 0.432 176.450 176.000 0.028 0.000 0.914 272 Q CA -0.577 55.235 55.803 0.015 0.000 0.904 272 Q CB 0.964 29.714 28.738 0.020 0.000 1.213 272 Q HN 0.385 nan 8.270 nan 0.000 0.428 273 N N 1.787 120.510 118.700 0.039 0.000 2.427 273 N HA -0.029 4.711 4.740 -0.001 0.000 0.269 273 N C -0.156 175.410 175.510 0.094 0.000 1.235 273 N CA -0.360 52.726 53.050 0.060 0.000 0.934 273 N CB 0.481 39.005 38.487 0.061 0.000 1.121 273 N HN 0.628 nan 8.380 nan 0.000 0.480 274 C N 3.032 122.407 119.300 0.126 0.000 2.533 274 C HA 0.320 4.780 4.460 -0.001 0.000 0.272 274 C C 1.352 176.539 174.990 0.327 0.000 1.371 274 C CA 0.592 59.744 59.018 0.224 0.000 1.758 274 C CB -1.201 26.697 27.740 0.263 0.000 1.972 274 C HN 0.975 nan 8.230 nan 0.000 0.522 275 G N -1.575 107.337 108.800 0.187 0.000 2.366 275 G HA2 0.241 4.200 3.960 -0.001 0.000 0.190 275 G HA3 0.241 4.200 3.960 -0.001 0.000 0.190 275 G C -1.978 172.961 174.900 0.066 0.000 1.299 275 G CA -0.360 44.803 45.100 0.105 0.000 1.056 275 G HN 0.058 nan 8.290 nan 0.000 0.468 276 Y N 0.780 120.952 120.300 -0.214 0.000 2.479 276 Y HA 0.736 5.285 4.550 -0.001 0.000 0.338 276 Y C -0.099 175.671 175.900 -0.218 0.000 1.055 276 Y CA -0.781 57.218 58.100 -0.167 0.000 1.023 276 Y CB 1.920 40.298 38.460 -0.137 0.000 1.287 276 Y HN 0.725 nan 8.280 nan 0.000 0.447 277 R N 4.803 125.003 120.500 -0.499 0.000 2.407 277 R HA 0.564 4.903 4.340 -0.001 0.000 0.303 277 R C -0.662 175.418 176.300 -0.367 0.000 0.981 277 R CA -0.564 55.287 56.100 -0.415 0.000 0.905 277 R CB 0.949 31.082 30.300 -0.278 0.000 1.099 277 R HN 0.918 nan 8.270 nan 0.000 0.459 278 R N 3.163 123.442 120.500 -0.367 0.000 2.659 278 R HA 0.214 4.553 4.340 -0.001 0.000 0.418 278 R C -0.585 175.571 176.300 -0.238 0.000 1.076 278 R CA -0.281 55.698 56.100 -0.201 0.000 1.093 278 R CB 0.447 30.674 30.300 -0.122 0.000 1.400 278 R HN 0.789 nan 8.270 nan 0.000 0.583 279 C N -2.052 117.066 119.300 -0.303 0.000 3.321 279 C HA 0.591 5.051 4.460 -0.001 0.000 0.363 279 C C -0.279 174.647 174.990 -0.107 0.000 1.705 279 C CA -1.555 57.327 59.018 -0.227 0.000 1.298 279 C CB 1.212 28.747 27.740 -0.342 0.000 2.086 279 C HN 0.315 nan 8.230 nan 0.000 0.438 280 R N 1.257 121.742 120.500 -0.025 0.000 2.504 280 R HA 0.439 4.778 4.340 -0.001 0.000 0.291 280 R C 0.197 176.550 176.300 0.089 0.000 0.974 280 R CA 0.982 57.118 56.100 0.061 0.000 1.077 280 R CB -0.259 30.115 30.300 0.123 0.000 0.926 280 R HN 1.192 nan 8.270 nan 0.000 0.407 281 A N 3.721 126.607 122.820 0.111 0.000 2.409 281 A HA 0.193 4.513 4.320 -0.001 0.000 0.267 281 A C 1.139 178.823 177.584 0.166 0.000 1.127 281 A CA 0.221 52.345 52.037 0.145 0.000 0.795 281 A CB 0.367 19.461 19.000 0.158 0.000 1.061 281 A HN 1.020 nan 8.150 nan 0.000 0.502 282 S N 2.236 118.048 115.700 0.186 0.000 2.461 282 S HA 0.067 4.537 4.470 -0.001 0.000 0.228 282 S C 1.090 175.791 174.600 0.168 0.000 1.005 282 S CA 0.855 59.163 58.200 0.179 0.000 0.942 282 S CB -0.033 63.280 63.200 0.189 0.000 0.776 282 S HN 1.293 nan 8.310 nan 0.000 0.514 283 G N 2.037 110.959 108.800 0.204 0.000 4.637 283 G HA2 0.535 4.494 3.960 -0.001 0.000 0.308 283 G HA3 0.535 4.494 3.960 -0.001 0.000 0.308 283 G C -0.200 174.827 174.900 0.213 0.000 1.377 283 G CA -0.084 45.137 45.100 0.202 0.000 1.176 283 G HN 0.640 nan 8.290 nan 0.000 0.601 284 V N -2.072 117.952 119.914 0.184 0.000 3.113 284 V HA 0.594 4.714 4.120 -0.001 0.000 0.316 284 V C 1.372 177.549 176.094 0.139 0.000 1.125 284 V CA -0.953 61.474 62.300 0.212 0.000 1.026 284 V CB 1.656 33.684 31.823 0.342 0.000 1.080 284 V HN 0.113 nan 8.190 nan 0.000 0.444 285 L N 1.986 123.304 121.223 0.158 0.000 2.083 285 L HA -0.043 4.296 4.340 -0.001 0.000 0.209 285 L C 2.344 179.227 176.870 0.022 0.000 1.083 285 L CA 3.053 57.965 54.840 0.119 0.000 0.752 285 L CB -0.591 41.566 42.059 0.163 0.000 0.899 285 L HN 1.100 nan 8.230 nan 0.000 0.433 286 T N -5.646 108.844 114.554 -0.105 0.000 3.148 286 T HA -0.002 4.347 4.350 -0.001 0.000 0.253 286 T C 1.530 176.173 174.700 -0.094 0.000 1.134 286 T CA 0.730 62.715 62.100 -0.192 0.000 1.051 286 T CB -0.748 67.824 68.868 -0.493 0.000 0.959 286 T HN 0.308 nan 8.240 nan 0.000 0.525 287 T N 1.962 116.497 114.554 -0.032 0.000 2.622 287 T HA -0.161 4.188 4.350 -0.001 0.000 0.266 287 T C 2.198 176.927 174.700 0.049 0.000 1.047 287 T CA 1.753 63.873 62.100 0.034 0.000 1.159 287 T CB -0.759 68.153 68.868 0.074 0.000 0.863 287 T HN 0.539 nan 8.240 nan 0.000 0.422 288 S N -0.103 115.606 115.700 0.015 0.000 2.353 288 S HA -0.179 4.290 4.470 -0.001 0.000 0.222 288 S C 2.458 177.095 174.600 0.061 0.000 1.035 288 S CA 1.571 59.779 58.200 0.014 0.000 1.025 288 S CB -1.024 62.085 63.200 -0.152 0.000 0.902 288 S HN 0.659 nan 8.310 nan 0.000 0.440 289 C N 1.290 120.594 119.300 0.006 0.000 2.413 289 C HA 0.056 4.516 4.460 -0.001 0.000 0.276 289 C C 2.854 177.894 174.990 0.084 0.000 1.236 289 C CA 1.187 60.223 59.018 0.031 0.000 1.735 289 C CB -1.871 25.863 27.740 -0.010 0.000 2.031 289 C HN 0.732 nan 8.230 nan 0.000 0.474 290 G N 0.544 109.404 108.800 0.100 0.000 2.459 290 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.217 290 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.217 290 G C 1.503 176.486 174.900 0.138 0.000 1.183 290 G CA 1.241 46.403 45.100 0.102 0.000 0.776 290 G HN 0.602 nan 8.290 nan 0.000 0.552 291 N N 0.319 119.117 118.700 0.162 0.000 2.120 291 N HA -0.078 4.662 4.740 -0.001 0.000 0.188 291 N C 2.413 177.989 175.510 0.111 0.000 1.024 291 N CA 1.626 54.803 53.050 0.211 0.000 0.852 291 N CB -0.744 37.806 38.487 0.105 0.000 1.003 291 N HN 0.274 nan 8.380 nan 0.000 0.424 292 T N 1.554 116.169 114.554 0.102 0.000 2.708 292 T HA -0.006 4.343 4.350 -0.001 0.000 0.266 292 T C 2.141 176.909 174.700 0.113 0.000 1.037 292 T CA 0.699 62.861 62.100 0.105 0.000 1.146 292 T CB -0.290 68.698 68.868 0.200 0.000 0.865 292 T HN 0.124 nan 8.240 nan 0.000 0.435 293 L N 0.629 121.899 121.223 0.079 0.000 2.046 293 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 293 L C 2.946 179.897 176.870 0.134 0.000 1.077 293 L CA 1.237 56.111 54.840 0.056 0.000 0.747 293 L CB -0.949 41.096 42.059 -0.024 0.000 0.896 293 L HN 0.283 nan 8.230 nan 0.000 0.432 294 T N -1.500 113.152 114.554 0.163 0.000 2.777 294 T HA -0.222 4.127 4.350 -0.001 0.000 0.266 294 T C 2.001 176.882 174.700 0.301 0.000 1.040 294 T CA 1.393 63.621 62.100 0.213 0.000 1.141 294 T CB -0.467 68.552 68.868 0.252 0.000 0.868 294 T HN 0.450 nan 8.240 nan 0.000 0.444 295 C N 0.699 120.221 119.300 0.370 0.000 2.425 295 C HA -0.070 4.389 4.460 -0.001 0.000 0.277 295 C C 2.394 177.532 174.990 0.246 0.000 1.280 295 C CA 0.407 59.630 59.018 0.343 0.000 1.744 295 C CB -1.382 26.432 27.740 0.123 0.000 1.989 295 C HN 0.659 nan 8.230 nan 0.000 0.491 296 Y N 0.646 120.997 120.300 0.084 0.000 2.242 296 Y HA -0.047 4.503 4.550 -0.001 0.000 0.291 296 Y C 2.124 178.036 175.900 0.020 0.000 1.137 296 Y CA 1.806 59.935 58.100 0.048 0.000 1.181 296 Y CB -0.463 38.008 38.460 0.017 0.000 0.989 296 Y HN 0.306 nan 8.280 nan 0.000 0.527 297 L N 1.258 122.529 121.223 0.078 0.000 1.970 297 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 297 L C 2.106 178.881 176.870 -0.158 0.000 1.071 297 L CA 2.040 56.814 54.840 -0.109 0.000 0.751 297 L CB -1.067 40.919 42.059 -0.121 0.000 0.889 297 L HN 0.159 nan 8.230 nan 0.000 0.432 298 K N -0.569 119.811 120.400 -0.034 0.000 2.063 298 K HA -0.123 4.196 4.320 -0.001 0.000 0.208 298 K C 2.040 178.648 176.600 0.013 0.000 1.048 298 K CA 1.455 57.731 56.287 -0.018 0.000 0.928 298 K CB -0.409 32.171 32.500 0.134 0.000 0.713 298 K HN 0.509 nan 8.250 nan 0.000 0.442 299 A N 0.934 123.762 122.820 0.013 0.000 1.898 299 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 299 A C 2.217 179.825 177.584 0.040 0.000 1.181 299 A CA 1.626 53.703 52.037 0.067 0.000 0.620 299 A CB -0.472 18.639 19.000 0.185 0.000 0.819 299 A HN 0.157 nan 8.150 nan 0.000 0.442 300 S N -0.045 115.554 115.700 -0.167 0.000 2.368 300 S HA -0.068 4.402 4.470 -0.001 0.000 0.225 300 S C 2.244 176.782 174.600 -0.104 0.000 1.030 300 S CA 1.258 59.319 58.200 -0.232 0.000 0.999 300 S CB -0.388 62.500 63.200 -0.519 0.000 0.844 300 S HN 0.781 nan 8.310 nan 0.000 0.459 301 A N 1.198 123.972 122.820 -0.077 0.000 1.929 301 A HA 0.292 4.611 4.320 -0.001 0.000 0.216 301 A C 2.296 179.939 177.584 0.098 0.000 1.176 301 A CA 1.388 53.441 52.037 0.027 0.000 0.628 301 A CB -0.851 18.153 19.000 0.007 0.000 0.816 301 A HN 0.494 nan 8.150 nan 0.000 0.444 302 A N -1.059 121.819 122.820 0.096 0.000 1.969 302 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 302 A C 2.229 179.847 177.584 0.057 0.000 1.169 302 A CA 1.505 53.477 52.037 -0.107 0.000 0.635 302 A CB -1.162 17.393 19.000 -0.741 0.000 0.810 302 A HN 0.564 nan 8.150 nan 0.000 0.445 303 C N -0.750 118.682 119.300 0.221 0.000 2.429 303 C HA -0.087 4.373 4.460 -0.001 0.000 0.277 303 C C 2.904 177.911 174.990 0.030 0.000 1.262 303 C CA 1.092 60.255 59.018 0.241 0.000 1.733 303 C CB -1.254 26.581 27.740 0.158 0.000 2.010 303 C HN 0.605 nan 8.230 nan 0.000 0.483 304 R N 1.131 121.556 120.500 -0.124 0.000 2.070 304 R HA -0.090 4.250 4.340 -0.001 0.000 0.233 304 R C 2.474 178.483 176.300 -0.484 0.000 1.137 304 R CA 1.605 57.487 56.100 -0.362 0.000 0.945 304 R CB -0.701 29.248 30.300 -0.584 0.000 0.845 304 R HN 0.518 nan 8.270 nan 0.000 0.430 305 A N 1.554 124.103 122.820 -0.453 0.000 1.917 305 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 305 A C 2.309 179.870 177.584 -0.039 0.000 1.182 305 A CA 1.996 53.945 52.037 -0.147 0.000 0.633 305 A CB -0.647 18.348 19.000 -0.008 0.000 0.819 305 A HN 0.436 nan 8.150 nan 0.000 0.448 306 A N -1.489 121.331 122.820 -0.000 0.000 2.208 306 A HA 0.212 4.531 4.320 -0.001 0.000 0.209 306 A C 1.033 178.636 177.584 0.033 0.000 1.161 306 A CA 0.914 52.981 52.037 0.051 0.000 0.782 306 A CB -0.435 18.658 19.000 0.156 0.000 0.816 306 A HN 0.542 nan 8.150 nan 0.000 0.477 307 K N -0.650 119.752 120.400 0.004 0.000 3.071 307 K HA -0.161 4.158 4.320 -0.001 0.000 0.265 307 K C -0.712 175.897 176.600 0.016 0.000 1.060 307 K CA 0.447 56.736 56.287 0.003 0.000 0.767 307 K CB -2.096 30.411 32.500 0.012 0.000 1.241 307 K HN 0.558 nan 8.250 nan 0.000 0.486 308 L N 1.111 122.354 121.223 0.033 0.000 2.490 308 L HA 0.011 4.351 4.340 -0.001 0.000 0.274 308 L C 1.041 177.919 176.870 0.013 0.000 1.201 308 L CA 0.362 55.222 54.840 0.033 0.000 0.869 308 L CB 0.248 42.344 42.059 0.061 0.000 1.123 308 L HN 0.276 nan 8.230 nan 0.000 0.484 309 Q N 2.920 122.723 119.800 0.004 0.000 2.274 309 Q HA 0.047 4.387 4.340 -0.001 0.000 0.256 309 Q C -0.147 175.841 176.000 -0.019 0.000 0.927 309 Q CA -0.438 55.361 55.803 -0.008 0.000 0.939 309 Q CB 0.720 29.451 28.738 -0.012 0.000 1.201 309 Q HN 0.589 nan 8.270 nan 0.000 0.426 310 D N 2.355 122.744 120.400 -0.017 0.000 2.697 310 D HA -0.188 4.451 4.640 -0.001 0.000 0.238 310 D C -0.988 175.292 176.300 -0.033 0.000 1.152 310 D CA 0.722 54.707 54.000 -0.025 0.000 0.666 310 D CB -1.311 39.466 40.800 -0.038 0.000 1.037 310 D HN 0.581 nan 8.370 nan 0.000 0.423 311 C N -0.193 119.095 119.300 -0.020 0.000 2.527 311 C HA 0.818 5.277 4.460 -0.001 0.000 0.396 311 C C 0.643 175.625 174.990 -0.013 0.000 1.289 311 C CA -0.568 58.434 59.018 -0.028 0.000 2.047 311 C CB 1.018 28.748 27.740 -0.017 0.000 2.568 311 C HN 0.445 nan 8.230 nan 0.000 0.573 312 T N 5.531 120.072 114.554 -0.022 0.000 2.861 312 T HA 0.610 4.960 4.350 -0.001 0.000 0.287 312 T C -0.219 174.510 174.700 0.049 0.000 1.003 312 T CA -0.283 61.841 62.100 0.039 0.000 0.977 312 T CB 1.253 70.125 68.868 0.006 0.000 0.996 312 T HN 0.772 nan 8.240 nan 0.000 0.448 313 M N 2.677 122.360 119.600 0.138 0.000 2.724 313 M HA 0.684 5.163 4.480 -0.001 0.000 0.310 313 M C -1.412 175.022 176.300 0.224 0.000 1.217 313 M CA -1.208 54.162 55.300 0.116 0.000 0.894 313 M CB 2.029 34.687 32.600 0.096 0.000 1.719 313 M HN 0.310 nan 8.290 nan 0.000 0.479 314 L N 1.868 123.177 121.223 0.143 0.000 2.404 314 L HA 0.661 5.001 4.340 -0.001 0.000 0.272 314 L C -1.562 175.310 176.870 0.003 0.000 0.980 314 L CA -0.447 54.457 54.840 0.108 0.000 0.836 314 L CB 1.865 44.028 42.059 0.174 0.000 1.238 314 L HN 0.498 nan 8.230 nan 0.000 0.408 315 V N 4.437 124.326 119.914 -0.042 0.000 2.487 315 V HA 0.577 4.697 4.120 -0.001 0.000 0.298 315 V C -0.783 175.143 176.094 -0.279 0.000 1.028 315 V CA -0.640 61.618 62.300 -0.070 0.000 0.860 315 V CB 2.028 33.901 31.823 0.082 0.000 0.991 315 V HN 0.804 nan 8.190 nan 0.000 0.427 316 N N 3.565 122.040 118.700 -0.375 0.000 2.576 316 N HA 0.616 5.355 4.740 -0.001 0.000 0.269 316 N C 0.586 175.918 175.510 -0.296 0.000 1.058 316 N CA 0.395 52.995 53.050 -0.751 0.000 0.860 316 N CB 1.833 39.737 38.487 -0.971 0.000 1.249 316 N HN 1.017 nan 8.380 nan 0.000 0.525 317 G N 2.604 111.391 108.800 -0.021 0.000 2.660 317 G HA2 -0.429 3.531 3.960 -0.001 0.000 0.321 317 G HA3 -0.429 3.531 3.960 -0.001 0.000 0.321 317 G C 0.629 175.385 174.900 -0.239 0.000 1.246 317 G CA 0.979 46.088 45.100 0.015 0.000 1.000 317 G HN 0.665 nan 8.290 nan 0.000 0.550 318 D N 1.146 121.327 120.400 -0.365 0.000 2.349 318 D HA 0.095 4.735 4.640 -0.001 0.000 0.224 318 D C 0.516 176.644 176.300 -0.286 0.000 1.029 318 D CA 0.897 54.465 54.000 -0.719 0.000 0.879 318 D CB -0.159 40.198 40.800 -0.738 0.000 0.906 318 D HN 0.434 nan 8.370 nan 0.000 0.528 319 D N 0.496 120.803 120.400 -0.155 0.000 2.277 319 D HA 0.281 4.921 4.640 -0.001 0.000 0.249 319 D C -1.018 175.257 176.300 -0.043 0.000 1.134 319 D CA -0.525 53.435 54.000 -0.066 0.000 0.863 319 D CB 1.109 41.870 40.800 -0.065 0.000 1.143 319 D HN 0.030 nan 8.370 nan 0.000 0.458 320 L N 5.452 126.696 121.223 0.035 0.000 2.409 320 L HA 0.450 4.789 4.340 -0.001 0.000 0.272 320 L C -1.642 175.233 176.870 0.007 0.000 0.980 320 L CA -0.757 54.118 54.840 0.058 0.000 0.826 320 L CB 1.752 43.922 42.059 0.186 0.000 1.268 320 L HN 0.143 nan 8.230 nan 0.000 0.407 321 V N 6.196 126.074 119.914 -0.061 0.000 2.656 321 V HA 0.811 4.930 4.120 -0.001 0.000 0.307 321 V C -1.406 174.532 176.094 -0.259 0.000 1.051 321 V CA -0.349 61.853 62.300 -0.164 0.000 0.893 321 V CB 2.270 34.033 31.823 -0.100 0.000 0.999 321 V HN 0.572 nan 8.190 nan 0.000 0.426 322 V N 7.731 127.299 119.914 -0.576 0.000 2.540 322 V HA 0.583 4.703 4.120 -0.001 0.000 0.302 322 V C -0.284 175.547 176.094 -0.438 0.000 1.035 322 V CA -0.446 61.497 62.300 -0.596 0.000 0.873 322 V CB 1.726 32.919 31.823 -1.050 0.000 0.992 322 V HN 0.784 nan 8.190 nan 0.000 0.428 323 I N 4.981 125.431 120.570 -0.200 0.000 2.436 323 I HA 0.683 4.852 4.170 -0.001 0.000 0.289 323 I C -0.041 176.010 176.117 -0.111 0.000 1.010 323 I CA -0.284 60.959 61.300 -0.095 0.000 1.098 323 I CB 1.662 39.656 38.000 -0.010 0.000 1.266 323 I HN 0.902 nan 8.210 nan 0.000 0.434 324 C N 2.262 121.498 119.300 -0.108 0.000 3.336 324 C HA 0.656 5.116 4.460 -0.001 0.000 0.352 324 C C -0.293 174.621 174.990 -0.128 0.000 1.567 324 C CA -0.897 58.065 59.018 -0.093 0.000 1.328 324 C CB 1.357 29.078 27.740 -0.031 0.000 1.922 324 C HN 0.671 nan 8.230 nan 0.000 0.439 325 E N 1.451 121.596 120.200 -0.091 0.000 2.290 325 E HA 0.436 4.785 4.350 -0.001 0.000 0.277 325 E C 0.106 176.678 176.600 -0.046 0.000 1.035 325 E CA 0.543 56.890 56.400 -0.090 0.000 0.873 325 E CB 1.034 30.695 29.700 -0.065 0.000 1.029 325 E HN 0.777 nan 8.360 nan 0.000 0.419 326 S N 2.765 118.443 115.700 -0.037 0.000 2.580 326 S HA 0.501 4.971 4.470 -0.001 0.000 0.274 326 S C 0.090 174.699 174.600 0.015 0.000 1.329 326 S CA 0.091 58.313 58.200 0.037 0.000 1.036 326 S CB 0.730 64.001 63.200 0.119 0.000 0.919 326 S HN 0.541 nan 8.310 nan 0.000 0.515 327 A N 3.194 126.031 122.820 0.029 0.000 2.631 327 A HA 0.669 4.989 4.320 -0.001 0.000 0.294 327 A C 0.787 178.376 177.584 0.008 0.000 1.156 327 A CA 0.126 52.169 52.037 0.009 0.000 0.963 327 A CB -0.863 18.142 19.000 0.008 0.000 1.202 327 A HN 1.895 nan 8.150 nan 0.000 0.523 328 G N -0.953 107.851 108.800 0.008 0.000 2.663 328 G HA2 0.015 3.974 3.960 -0.001 0.000 0.686 328 G HA3 0.015 3.974 3.960 -0.001 0.000 0.686 328 G C 0.648 175.558 174.900 0.017 0.000 1.246 328 G CA 0.202 45.290 45.100 -0.019 0.000 0.795 328 G HN 1.249 nan 8.290 nan 0.000 0.627 329 T N -2.184 112.356 114.554 -0.023 0.000 2.788 329 T HA -0.093 4.256 4.350 -0.001 0.000 0.268 329 T C 1.959 176.696 174.700 0.063 0.000 1.044 329 T CA 2.181 64.307 62.100 0.043 0.000 1.139 329 T CB -0.111 68.744 68.868 -0.022 0.000 0.867 329 T HN 0.560 nan 8.240 nan 0.000 0.454 330 Q N 0.819 120.634 119.800 0.025 0.000 2.062 330 Q HA -0.020 4.320 4.340 -0.001 0.000 0.196 330 Q C 2.385 178.397 176.000 0.019 0.000 0.967 330 Q CA 1.494 57.308 55.803 0.019 0.000 0.832 330 Q CB -0.203 28.538 28.738 0.006 0.000 0.899 330 Q HN 0.647 nan 8.270 nan 0.000 0.442 331 E N 0.911 121.122 120.200 0.018 0.000 2.072 331 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 331 E C 1.633 178.244 176.600 0.018 0.000 0.985 331 E CA 1.135 57.544 56.400 0.015 0.000 0.801 331 E CB -0.083 29.625 29.700 0.012 0.000 0.750 331 E HN 0.269 nan 8.360 nan 0.000 0.452 332 D N 0.218 120.643 120.400 0.041 0.000 2.117 332 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 332 D C 1.843 178.138 176.300 -0.009 0.000 0.987 332 D CA 1.548 55.570 54.000 0.037 0.000 0.829 332 D CB -0.388 40.487 40.800 0.125 0.000 0.961 332 D HN 0.213 nan 8.370 nan 0.000 0.460 333 A N 0.869 123.696 122.820 0.013 0.000 1.969 333 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 333 A C 2.278 179.846 177.584 -0.027 0.000 1.169 333 A CA 1.994 54.022 52.037 -0.015 0.000 0.635 333 A CB -0.590 18.417 19.000 0.011 0.000 0.810 333 A HN 0.230 nan 8.150 nan 0.000 0.445 334 A N -0.456 122.357 122.820 -0.012 0.000 1.877 334 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 334 A C 2.446 180.022 177.584 -0.015 0.000 1.186 334 A CA 2.016 54.047 52.037 -0.010 0.000 0.620 334 A CB -0.911 18.088 19.000 -0.002 0.000 0.822 334 A HN 0.442 nan 8.150 nan 0.000 0.443 335 S N 0.124 115.812 115.700 -0.019 0.000 2.359 335 S HA -0.113 4.357 4.470 -0.001 0.000 0.224 335 S C 1.825 176.404 174.600 -0.034 0.000 1.035 335 S CA 1.455 59.645 58.200 -0.015 0.000 1.018 335 S CB -0.444 62.747 63.200 -0.015 0.000 0.876 335 S HN 0.486 nan 8.310 nan 0.000 0.448 336 L N 0.979 122.123 121.223 -0.133 0.000 2.083 336 L HA -0.095 4.244 4.340 -0.001 0.000 0.209 336 L C 2.639 179.485 176.870 -0.041 0.000 1.083 336 L CA 1.368 56.070 54.840 -0.230 0.000 0.752 336 L CB -0.713 41.108 42.059 -0.396 0.000 0.899 336 L HN 0.311 nan 8.230 nan 0.000 0.433 337 R N -0.478 120.007 120.500 -0.025 0.000 2.096 337 R HA -0.118 4.221 4.340 -0.001 0.000 0.235 337 R C 2.268 178.578 176.300 0.016 0.000 1.127 337 R CA 1.080 57.183 56.100 0.005 0.000 0.968 337 R CB -0.315 29.982 30.300 -0.005 0.000 0.861 337 R HN 0.201 nan 8.270 nan 0.000 0.440 338 V N 0.569 120.494 119.914 0.018 0.000 2.307 338 V HA -0.229 3.891 4.120 -0.001 0.000 0.245 338 V C 1.907 178.005 176.094 0.006 0.000 1.045 338 V CA 1.617 63.920 62.300 0.007 0.000 1.024 338 V CB -0.574 31.257 31.823 0.012 0.000 0.651 338 V HN 0.203 nan 8.190 nan 0.000 0.449 339 F N 1.540 121.437 119.950 -0.089 0.000 2.065 339 F HA -0.284 4.243 4.527 -0.001 0.000 0.298 339 F C 2.472 178.205 175.800 -0.111 0.000 1.112 339 F CA 2.513 60.456 58.000 -0.096 0.000 1.212 339 F CB -0.588 38.351 39.000 -0.102 0.000 0.975 339 F HN 0.119 nan 8.300 nan 0.000 0.476 340 T N 0.030 114.644 114.554 0.101 0.000 2.684 340 T HA -0.221 4.128 4.350 -0.001 0.000 0.267 340 T C 1.708 176.380 174.700 -0.046 0.000 1.036 340 T CA 1.815 63.975 62.100 0.100 0.000 1.148 340 T CB -0.390 68.609 68.868 0.220 0.000 0.863 340 T HN 0.390 nan 8.240 nan 0.000 0.436 341 E N 0.979 121.136 120.200 -0.071 0.000 2.070 341 E HA -0.152 4.198 4.350 -0.001 0.000 0.197 341 E C 2.558 179.011 176.600 -0.246 0.000 1.004 341 E CA 1.155 57.482 56.400 -0.121 0.000 0.805 341 E CB -0.292 29.352 29.700 -0.092 0.000 0.744 341 E HN 0.484 nan 8.360 nan 0.000 0.451 342 A N 1.392 124.013 122.820 -0.332 0.000 1.851 342 A HA -0.253 4.067 4.320 -0.001 0.000 0.216 342 A C 2.184 179.331 177.584 -0.728 0.000 1.195 342 A CA 1.803 53.495 52.037 -0.574 0.000 0.622 342 A CB -0.520 18.196 19.000 -0.474 0.000 0.831 342 A HN 0.133 nan 8.150 nan 0.000 0.444 343 M N -0.252 119.026 119.600 -0.538 0.000 2.088 343 M HA -0.175 4.305 4.480 -0.001 0.000 0.256 343 M C 2.234 178.451 176.300 -0.138 0.000 1.071 343 M CA 2.405 57.519 55.300 -0.311 0.000 1.097 343 M CB -2.254 30.085 32.600 -0.435 0.000 1.315 343 M HN 0.517 nan 8.290 nan 0.000 0.406 344 T N 0.070 114.552 114.554 -0.120 0.000 2.684 344 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 344 T C 1.973 176.602 174.700 -0.119 0.000 1.036 344 T CA 1.416 63.475 62.100 -0.068 0.000 1.148 344 T CB -0.306 68.530 68.868 -0.053 0.000 0.863 344 T HN 0.378 nan 8.240 nan 0.000 0.436 345 R N -0.067 120.291 120.500 -0.237 0.000 2.127 345 R HA -0.089 4.251 4.340 -0.001 0.000 0.238 345 R C 1.717 177.908 176.300 -0.183 0.000 1.134 345 R CA 1.209 57.156 56.100 -0.255 0.000 0.975 345 R CB -0.299 29.775 30.300 -0.377 0.000 0.865 345 R HN 0.460 nan 8.270 nan 0.000 0.447 346 Y N -0.570 119.660 120.300 -0.117 0.000 2.502 346 Y HA 0.083 4.633 4.550 -0.000 0.000 0.295 346 Y C 1.273 177.107 175.900 -0.110 0.000 1.193 346 Y CA -0.106 57.909 58.100 -0.140 0.000 1.295 346 Y CB 0.104 38.505 38.460 -0.098 0.000 1.059 346 Y HN 0.007 nan 8.280 nan 0.000 0.514 347 S N -1.314 114.409 115.700 0.037 0.000 2.659 347 S HA -0.181 4.289 4.470 -0.001 0.000 0.264 347 S C 0.383 175.001 174.600 0.031 0.000 1.310 347 S CA 0.516 58.728 58.200 0.020 0.000 1.262 347 S CB -1.571 61.626 63.200 -0.005 0.000 1.548 347 S HN 0.572 nan 8.310 nan 0.000 0.657 348 A N 1.965 124.824 122.820 0.064 0.000 3.056 348 A HA 0.612 4.932 4.320 -0.001 0.000 0.328 348 A C -2.136 175.573 177.584 0.208 0.000 1.233 348 A CA -1.168 50.945 52.037 0.126 0.000 0.965 348 A CB 0.397 19.517 19.000 0.200 0.000 1.123 348 A HN 0.442 nan 8.150 nan 0.000 0.502 349 P HA 0.341 nan 4.420 nan 0.000 0.276 349 P C -2.965 174.399 177.300 0.108 0.000 1.244 349 P CA -1.482 61.683 63.100 0.109 0.000 0.801 349 P CB 0.786 32.484 31.700 -0.004 0.000 1.006 350 P HA 0.145 nan 4.420 nan 0.000 0.279 350 P C 0.663 177.895 177.300 -0.114 0.000 1.252 350 P CA -0.027 62.969 63.100 -0.172 0.000 0.811 350 P CB 0.833 32.396 31.700 -0.229 0.000 1.035 351 G N 1.070 109.790 108.800 -0.134 0.000 2.648 351 G HA2 0.001 3.960 3.960 -0.001 0.000 0.217 351 G HA3 0.001 3.960 3.960 -0.001 0.000 0.217 351 G C -0.155 174.700 174.900 -0.075 0.000 1.386 351 G CA 0.121 45.175 45.100 -0.077 0.000 0.920 351 G HN 0.475 nan 8.290 nan 0.000 0.540 352 D N 2.505 122.859 120.400 -0.076 0.000 2.351 352 D HA 0.276 4.916 4.640 -0.001 0.000 0.251 352 D C -2.087 174.169 176.300 -0.073 0.000 1.137 352 D CA -0.834 53.132 54.000 -0.057 0.000 0.879 352 D CB 1.427 42.203 40.800 -0.039 0.000 1.181 352 D HN 0.093 nan 8.370 nan 0.000 0.448 353 P HA 0.144 nan 4.420 nan 0.000 0.271 353 P C -2.440 174.859 177.300 -0.001 0.000 1.216 353 P CA -1.067 62.023 63.100 -0.018 0.000 0.776 353 P CB -0.120 31.579 31.700 -0.001 0.000 0.881 354 P HA 0.147 nan 4.420 nan 0.000 0.275 354 P C -0.741 176.548 177.300 -0.018 0.000 1.227 354 P CA -0.005 63.133 63.100 0.065 0.000 0.781 354 P CB 0.746 32.554 31.700 0.179 0.000 0.906 355 Q N 2.356 122.160 119.800 0.005 0.000 2.365 355 Q HA 0.625 4.965 4.340 -0.001 0.000 0.269 355 Q C -2.862 173.119 176.000 -0.031 0.000 1.061 355 Q CA -2.595 53.193 55.803 -0.024 0.000 0.816 355 Q CB 1.411 30.151 28.738 0.003 0.000 1.325 355 Q HN 0.209 nan 8.270 nan 0.000 0.446 356 P HA 0.105 nan 4.420 nan 0.000 0.268 356 P C -1.076 176.046 177.300 -0.297 0.000 1.204 356 P CA 0.086 63.072 63.100 -0.189 0.000 0.768 356 P CB 0.711 32.301 31.700 -0.183 0.000 0.842 357 E N 1.730 121.715 120.200 -0.358 0.000 2.222 357 E HA 0.334 4.683 4.350 -0.001 0.000 0.267 357 E C -1.063 175.342 176.600 -0.325 0.000 0.884 357 E CA -0.503 55.743 56.400 -0.256 0.000 0.764 357 E CB 0.721 30.387 29.700 -0.057 0.000 1.169 357 E HN 0.330 nan 8.360 nan 0.000 0.413 358 Y N 1.144 121.575 120.300 0.218 0.000 2.531 358 Y HA 0.325 4.874 4.550 -0.001 0.000 0.249 358 Y C -0.088 176.029 175.900 0.362 0.000 1.168 358 Y CA -0.506 57.776 58.100 0.303 0.000 1.226 358 Y CB 0.961 39.519 38.460 0.163 0.000 1.177 358 Y HN 0.315 nan 8.280 nan 0.000 0.527 359 D N 0.253 120.798 120.400 0.241 0.000 2.620 359 D HA 0.119 4.759 4.640 -0.001 0.000 0.252 359 D C 0.626 176.700 176.300 -0.376 0.000 1.207 359 D CA -0.378 53.633 54.000 0.017 0.000 0.884 359 D CB 1.635 42.455 40.800 0.033 0.000 1.262 359 D HN 0.092 nan 8.370 nan 0.000 0.552 360 L N 4.272 124.938 121.223 -0.927 0.000 2.081 360 L HA -0.110 4.230 4.340 -0.001 0.000 0.212 360 L C 1.616 178.148 176.870 -0.564 0.000 1.080 360 L CA 2.010 56.123 54.840 -1.212 0.000 0.754 360 L CB -0.319 40.794 42.059 -1.576 0.000 0.893 360 L HN 0.536 nan 8.230 nan 0.000 0.433 361 E N -0.741 119.242 120.200 -0.361 0.000 2.265 361 E HA -0.177 4.173 4.350 -0.001 0.000 0.196 361 E C 1.913 178.424 176.600 -0.149 0.000 0.996 361 E CA 1.025 57.303 56.400 -0.203 0.000 0.832 361 E CB -0.185 29.449 29.700 -0.109 0.000 0.756 361 E HN 0.543 nan 8.360 nan 0.000 0.491 362 L N 0.850 121.985 121.223 -0.146 0.000 2.592 362 L HA 0.187 4.527 4.340 -0.001 0.000 0.227 362 L C 0.513 177.329 176.870 -0.089 0.000 1.127 362 L CA -0.172 54.616 54.840 -0.087 0.000 0.884 362 L CB 0.254 42.286 42.059 -0.044 0.000 1.065 362 L HN 0.014 nan 8.230 nan 0.000 0.457 363 I N 0.110 120.596 120.570 -0.140 0.000 2.312 363 I HA 0.109 4.279 4.170 -0.001 0.000 0.291 363 I C 0.067 176.132 176.117 -0.085 0.000 1.031 363 I CA 0.070 61.305 61.300 -0.108 0.000 1.293 363 I CB 1.341 39.251 38.000 -0.150 0.000 1.403 363 I HN -0.084 nan 8.210 nan 0.000 0.484 364 T N 5.130 119.658 114.554 -0.044 0.000 2.744 364 T HA 0.385 4.734 4.350 -0.001 0.000 0.291 364 T C -0.098 174.594 174.700 -0.012 0.000 0.957 364 T CA -0.538 61.548 62.100 -0.023 0.000 1.002 364 T CB 0.743 69.606 68.868 -0.010 0.000 0.919 364 T HN 0.714 nan 8.240 nan 0.000 0.468 365 S N 1.182 116.878 115.700 -0.008 0.000 2.571 365 S HA 0.427 4.896 4.470 -0.001 0.000 0.284 365 S C 0.171 174.784 174.600 0.022 0.000 1.128 365 S CA -0.764 57.434 58.200 -0.003 0.000 0.970 365 S CB 0.675 63.859 63.200 -0.026 0.000 1.039 365 S HN 0.879 nan 8.310 nan 0.000 0.485 366 C N 2.444 121.760 119.300 0.026 0.000 4.454 366 C HA -0.178 4.281 4.460 -0.001 0.000 0.298 366 C C 1.408 176.467 174.990 0.115 0.000 1.384 366 C CA 0.763 59.821 59.018 0.065 0.000 2.002 366 C CB -3.176 24.605 27.740 0.069 0.000 1.249 366 C HN 1.790 nan 8.230 nan 0.000 0.783 367 S N -2.231 113.519 115.700 0.083 0.000 3.127 367 S HA -0.206 4.264 4.470 -0.001 0.000 0.281 367 S C 0.266 174.913 174.600 0.078 0.000 1.293 367 S CA 1.398 59.644 58.200 0.077 0.000 1.156 367 S CB -1.010 62.249 63.200 0.097 0.000 1.389 367 S HN 1.038 nan 8.310 nan 0.000 0.672 368 S N 2.135 117.895 115.700 0.101 0.000 2.677 368 S HA 0.780 5.250 4.470 -0.001 0.000 0.304 368 S C -0.251 174.378 174.600 0.049 0.000 1.108 368 S CA -0.824 57.452 58.200 0.126 0.000 0.944 368 S CB 1.626 64.978 63.200 0.252 0.000 1.127 368 S HN 0.606 nan 8.310 nan 0.000 0.511 369 N N -0.804 117.914 118.700 0.030 0.000 2.416 369 N HA 0.417 5.156 4.740 -0.001 0.000 0.276 369 N C -1.411 174.044 175.510 -0.092 0.000 1.261 369 N CA -0.611 52.410 53.050 -0.047 0.000 0.790 369 N CB 0.928 39.377 38.487 -0.064 0.000 1.554 369 N HN 0.317 nan 8.380 nan 0.000 0.481 370 V N 0.443 120.264 119.914 -0.154 0.000 2.715 370 V HA 0.352 4.472 4.120 -0.001 0.000 0.299 370 V C 0.581 176.550 176.094 -0.208 0.000 1.054 370 V CA 0.132 62.312 62.300 -0.200 0.000 1.077 370 V CB 0.882 32.561 31.823 -0.241 0.000 0.972 370 V HN 0.837 nan 8.190 nan 0.000 0.484 371 S N 2.399 117.896 115.700 -0.339 0.000 2.685 371 S HA 0.736 5.205 4.470 -0.001 0.000 0.282 371 S C -1.278 173.236 174.600 -0.144 0.000 1.159 371 S CA -0.468 57.581 58.200 -0.251 0.000 0.833 371 S CB 2.062 65.105 63.200 -0.262 0.000 1.151 371 S HN 0.655 nan 8.310 nan 0.000 0.485 372 V N 1.593 121.521 119.914 0.023 0.000 2.495 372 V HA 0.953 5.072 4.120 -0.001 0.000 0.298 372 V C -0.094 176.029 176.094 0.049 0.000 1.031 372 V CA 0.271 62.541 62.300 -0.049 0.000 0.871 372 V CB 0.811 32.493 31.823 -0.236 0.000 0.988 372 V HN 1.177 nan 8.190 nan 0.000 0.432 373 A N 5.436 128.184 122.820 -0.121 0.000 2.548 373 A HA 0.852 5.171 4.320 -0.001 0.000 0.282 373 A C -1.036 176.236 177.584 -0.521 0.000 1.288 373 A CA -0.614 51.207 52.037 -0.360 0.000 0.748 373 A CB 1.663 20.158 19.000 -0.843 0.000 1.339 373 A HN 0.913 nan 8.150 nan 0.000 0.475 374 H N 0.235 118.952 119.070 -0.589 0.000 2.717 374 H HA 0.358 4.913 4.556 -0.001 0.000 0.366 374 H C -1.143 173.844 175.328 -0.569 0.000 1.132 374 H CA -0.540 55.170 56.048 -0.563 0.000 1.180 374 H CB 1.911 31.256 29.762 -0.695 0.000 1.678 374 H HN 0.903 nan 8.280 nan 0.000 0.537 375 D N 0.956 121.248 120.400 -0.180 0.000 2.478 375 D HA 0.164 4.804 4.640 -0.001 0.000 0.269 375 D C 1.334 177.703 176.300 0.115 0.000 1.232 375 D CA -0.404 53.560 54.000 -0.059 0.000 1.059 375 D CB 0.354 41.129 40.800 -0.041 0.000 1.104 375 D HN 0.464 nan 8.370 nan 0.000 0.566 376 A N -0.218 122.680 122.820 0.131 0.000 1.948 376 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 376 A C 1.967 179.629 177.584 0.129 0.000 1.177 376 A CA 2.434 54.560 52.037 0.149 0.000 0.636 376 A CB -1.133 17.920 19.000 0.089 0.000 0.815 376 A HN 0.630 nan 8.150 nan 0.000 0.449 377 S N -2.194 113.563 115.700 0.096 0.000 2.593 377 S HA 0.390 4.860 4.470 -0.001 0.000 0.217 377 S C 1.385 176.043 174.600 0.097 0.000 0.966 377 S CA 0.971 59.215 58.200 0.074 0.000 0.914 377 S CB -0.211 63.016 63.200 0.044 0.000 0.776 377 S HN 1.915 nan 8.310 nan 0.000 0.523 378 G N 1.353 110.250 108.800 0.162 0.000 2.176 378 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.253 378 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.253 378 G C -0.012 174.989 174.900 0.168 0.000 0.979 378 G CA 0.251 45.468 45.100 0.196 0.000 0.641 378 G HN 0.721 nan 8.290 nan 0.000 0.530 379 K N 1.143 121.578 120.400 0.057 0.000 2.412 379 K HA 0.372 4.692 4.320 -0.001 0.000 0.281 379 K C 0.953 177.450 176.600 -0.173 0.000 1.027 379 K CA -0.604 55.666 56.287 -0.028 0.000 0.989 379 K CB 0.246 32.725 32.500 -0.035 0.000 0.935 379 K HN 0.358 nan 8.250 nan 0.000 0.475 380 R N 1.930 122.251 120.500 -0.297 0.000 2.585 380 R HA 0.092 4.432 4.340 -0.001 0.000 0.275 380 R C -0.642 175.408 176.300 -0.417 0.000 1.018 380 R CA -0.161 55.612 56.100 -0.545 0.000 1.072 380 R CB 0.655 30.647 30.300 -0.514 0.000 0.953 380 R HN 0.270 nan 8.270 nan 0.000 0.419 381 V N 4.218 123.858 119.914 -0.457 0.000 2.686 381 V HA 0.277 4.396 4.120 -0.001 0.000 0.306 381 V C -1.108 174.831 176.094 -0.259 0.000 1.065 381 V CA -0.856 61.279 62.300 -0.275 0.000 0.894 381 V CB 1.623 33.337 31.823 -0.181 0.000 1.004 381 V HN 0.563 nan 8.190 nan 0.000 0.424 382 Y N 4.786 125.072 120.300 -0.023 0.000 2.352 382 Y HA 0.724 5.274 4.550 -0.001 0.000 0.326 382 Y C -0.055 175.897 175.900 0.086 0.000 1.166 382 Y CA -0.337 57.757 58.100 -0.010 0.000 1.182 382 Y CB 1.440 39.852 38.460 -0.081 0.000 1.216 382 Y HN 0.714 nan 8.280 nan 0.000 0.474 383 Y N -0.050 120.320 120.300 0.117 0.000 2.656 383 Y HA 0.641 5.191 4.550 -0.001 0.000 0.334 383 Y C -2.289 173.671 175.900 0.099 0.000 1.179 383 Y CA -1.898 56.245 58.100 0.071 0.000 1.050 383 Y CB 0.660 39.135 38.460 0.025 0.000 1.308 383 Y HN 0.484 nan 8.280 nan 0.000 0.456 384 L N 2.328 123.603 121.223 0.087 0.000 2.292 384 L HA 0.734 5.073 4.340 -0.001 0.000 0.284 384 L C 0.009 177.051 176.870 0.285 0.000 1.065 384 L CA 0.437 55.318 54.840 0.068 0.000 0.806 384 L CB 1.325 43.455 42.059 0.119 0.000 1.175 384 L HN 1.012 nan 8.230 nan 0.000 0.431 385 T N 4.529 119.203 114.554 0.200 0.000 2.831 385 T HA 0.864 5.213 4.350 -0.001 0.000 0.287 385 T C -1.029 173.824 174.700 0.256 0.000 1.070 385 T CA -0.643 61.686 62.100 0.383 0.000 1.010 385 T CB 1.126 70.193 68.868 0.332 0.000 1.264 385 T HN 0.846 nan 8.240 nan 0.000 0.532 386 R N 0.539 121.128 120.500 0.148 0.000 2.733 386 R HA 0.454 4.793 4.340 -0.001 0.000 0.272 386 R C -1.469 174.691 176.300 -0.232 0.000 1.029 386 R CA -0.977 55.080 56.100 -0.072 0.000 0.888 386 R CB 0.521 30.688 30.300 -0.221 0.000 1.251 386 R HN 0.516 nan 8.270 nan 0.000 0.464 387 D N 2.088 122.344 120.400 -0.240 0.000 2.434 387 D HA 0.040 4.679 4.640 -0.001 0.000 0.252 387 D C -1.352 174.607 176.300 -0.570 0.000 1.185 387 D CA -1.199 52.608 54.000 -0.323 0.000 0.886 387 D CB 1.287 41.977 40.800 -0.182 0.000 1.148 387 D HN 0.359 nan 8.370 nan 0.000 0.483 388 P HA 0.001 nan 4.420 nan 0.000 0.249 388 P C 1.117 178.093 177.300 -0.540 0.000 1.229 388 P CA 0.148 62.567 63.100 -1.136 0.000 0.788 388 P CB 0.348 31.244 31.700 -1.341 0.000 1.072 389 T N -0.158 114.200 114.554 -0.327 0.000 2.652 389 T HA -0.115 4.235 4.350 -0.001 0.000 0.267 389 T C 1.768 176.406 174.700 -0.102 0.000 1.039 389 T CA 2.316 64.321 62.100 -0.157 0.000 1.153 389 T CB -1.025 67.793 68.868 -0.084 0.000 0.863 389 T HN 0.199 nan 8.240 nan 0.000 0.428 390 T N 2.205 116.702 114.554 -0.095 0.000 2.737 390 T HA -0.042 4.308 4.350 -0.001 0.000 0.265 390 T C -0.546 174.117 174.700 -0.061 0.000 1.038 390 T CA 1.093 63.164 62.100 -0.049 0.000 1.144 390 T CB -1.283 67.588 68.868 0.005 0.000 0.866 390 T HN 0.315 nan 8.240 nan 0.000 0.434 391 P HA -0.054 nan 4.420 nan 0.000 0.216 391 P C 1.470 178.805 177.300 0.059 0.000 1.154 391 P CA 1.045 64.149 63.100 0.007 0.000 0.865 391 P CB -0.178 31.496 31.700 -0.043 0.000 0.789 392 L N -1.777 119.436 121.223 -0.017 0.000 2.131 392 L HA -0.045 4.295 4.340 -0.001 0.000 0.206 392 L C 2.451 179.363 176.870 0.070 0.000 1.087 392 L CA 1.183 56.041 54.840 0.030 0.000 0.767 392 L CB -1.037 40.997 42.059 -0.042 0.000 0.917 392 L HN -0.056 nan 8.230 nan 0.000 0.441 393 A N 0.419 123.266 122.820 0.046 0.000 1.902 393 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 393 A C 2.360 180.016 177.584 0.119 0.000 1.181 393 A CA 1.521 53.604 52.037 0.076 0.000 0.623 393 A CB -0.439 18.579 19.000 0.029 0.000 0.818 393 A HN 0.304 nan 8.150 nan 0.000 0.443 394 R N -0.640 119.905 120.500 0.075 0.000 2.092 394 R HA -0.018 4.322 4.340 -0.001 0.000 0.231 394 R C 2.449 178.910 176.300 0.268 0.000 1.119 394 R CA 1.082 57.247 56.100 0.108 0.000 0.970 394 R CB -0.413 29.893 30.300 0.010 0.000 0.864 394 R HN 0.516 nan 8.270 nan 0.000 0.440 395 A N 1.164 124.168 122.820 0.307 0.000 1.933 395 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 395 A C 2.347 180.184 177.584 0.421 0.000 1.175 395 A CA 1.643 53.979 52.037 0.498 0.000 0.628 395 A CB -0.622 18.711 19.000 0.555 0.000 0.814 395 A HN 0.390 nan 8.150 nan 0.000 0.444 396 A N -1.351 121.621 122.820 0.255 0.000 1.902 396 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 396 A C 2.100 179.802 177.584 0.196 0.000 1.181 396 A CA 1.403 53.543 52.037 0.171 0.000 0.623 396 A CB -0.807 18.275 19.000 0.136 0.000 0.818 396 A HN 0.833 nan 8.150 nan 0.000 0.443 397 W N 0.914 122.263 121.300 0.081 0.000 2.378 397 W HA -0.130 4.529 4.660 -0.001 0.000 0.313 397 W C 1.795 178.372 176.519 0.096 0.000 1.197 397 W CA 1.883 59.263 57.345 0.058 0.000 1.304 397 W CB -0.418 29.058 29.460 0.027 0.000 1.148 397 W HN 0.553 nan 8.180 nan 0.000 0.494 398 E N -0.574 119.907 120.200 0.467 0.000 2.265 398 E HA -0.171 4.178 4.350 -0.001 0.000 0.196 398 E C 1.930 178.734 176.600 0.340 0.000 0.996 398 E CA 1.780 58.430 56.400 0.417 0.000 0.832 398 E CB -0.306 29.688 29.700 0.489 0.000 0.756 398 E HN 0.095 nan 8.360 nan 0.000 0.491 399 T N 0.223 114.966 114.554 0.316 0.000 2.803 399 T HA -0.150 4.199 4.350 -0.001 0.000 0.269 399 T C 1.647 176.350 174.700 0.005 0.000 1.052 399 T CA 1.396 63.593 62.100 0.162 0.000 1.136 399 T CB 0.000 68.963 68.868 0.157 0.000 0.864 399 T HN 0.264 nan 8.240 nan 0.000 0.467 400 A N -0.362 122.418 122.820 -0.067 0.000 2.419 400 A HA 0.388 4.707 4.320 -0.001 0.000 0.233 400 A C 0.765 178.219 177.584 -0.216 0.000 1.217 400 A CA -0.254 51.682 52.037 -0.168 0.000 0.944 400 A CB 0.676 19.540 19.000 -0.228 0.000 1.025 400 A HN 0.069 nan 8.150 nan 0.000 0.524 401 R N 0.272 120.673 120.500 -0.165 0.000 2.621 401 R HA 0.374 4.713 4.340 -0.001 0.000 0.284 401 R C -1.567 174.737 176.300 0.007 0.000 0.998 401 R CA -0.495 55.540 56.100 -0.107 0.000 0.895 401 R CB 0.885 31.148 30.300 -0.061 0.000 1.195 401 R HN 0.531 nan 8.270 nan 0.000 0.450 402 H N 0.567 119.702 119.070 0.109 0.000 2.732 402 H HA 0.230 4.786 4.556 -0.001 0.000 0.351 402 H C 0.468 175.872 175.328 0.128 0.000 1.090 402 H CA 0.583 56.701 56.048 0.118 0.000 1.431 402 H CB 1.002 30.807 29.762 0.071 0.000 1.447 402 H HN 0.558 nan 8.280 nan 0.000 0.582 403 T N -0.049 114.659 114.554 0.256 0.000 2.903 403 T HA 0.227 4.577 4.350 -0.001 0.000 0.299 403 T C -1.908 172.834 174.700 0.071 0.000 1.093 403 T CA -1.900 60.293 62.100 0.155 0.000 1.002 403 T CB 1.647 70.608 68.868 0.155 0.000 1.127 403 T HN 0.272 nan 8.240 nan 0.000 0.488 404 P HA 0.107 nan 4.420 nan 0.000 0.217 404 P C -0.105 177.182 177.300 -0.021 0.000 1.150 404 P CA 0.429 63.514 63.100 -0.025 0.000 0.832 404 P CB 0.063 31.738 31.700 -0.043 0.000 0.787 405 V N 1.454 121.353 119.914 -0.025 0.000 2.378 405 V HA 0.213 4.333 4.120 -0.001 0.000 0.288 405 V C -0.093 175.965 176.094 -0.060 0.000 1.016 405 V CA -0.859 61.410 62.300 -0.051 0.000 0.840 405 V CB 1.379 33.167 31.823 -0.060 0.000 0.994 405 V HN 0.018 nan 8.190 nan 0.000 0.431 406 N N 3.282 121.903 118.700 -0.132 0.000 2.555 406 N HA 0.041 4.781 4.740 -0.001 0.000 0.244 406 N C 1.452 176.751 175.510 -0.352 0.000 1.114 406 N CA 0.227 53.126 53.050 -0.252 0.000 0.963 406 N CB 1.533 39.726 38.487 -0.490 0.000 1.276 406 N HN 0.847 nan 8.380 nan 0.000 0.510 407 S N 2.194 117.808 115.700 -0.144 0.000 2.399 407 S HA -0.127 4.343 4.470 -0.001 0.000 0.231 407 S C 1.869 176.432 174.600 -0.062 0.000 1.022 407 S CA 0.274 58.429 58.200 -0.076 0.000 0.983 407 S CB -0.420 62.783 63.200 0.005 0.000 0.803 407 S HN 0.792 nan 8.310 nan 0.000 0.480 408 W N 1.279 122.501 121.300 -0.129 0.000 2.342 408 W HA -0.052 4.607 4.660 -0.001 0.000 0.297 408 W C 1.705 178.150 176.519 -0.124 0.000 1.213 408 W CA 0.535 57.765 57.345 -0.193 0.000 1.251 408 W CB -1.064 27.944 29.460 -0.753 0.000 1.136 408 W HN 0.362 nan 8.180 nan 0.000 0.526 409 L N 2.809 123.388 121.223 -1.074 0.000 2.072 409 L HA 0.157 4.497 4.340 -0.001 0.000 0.205 409 L C 2.697 179.369 176.870 -0.330 0.000 1.079 409 L CA 2.713 56.990 54.840 -0.938 0.000 0.752 409 L CB -1.387 39.926 42.059 -1.244 0.000 0.906 409 L HN 0.057 nan 8.230 nan 0.000 0.436 410 G N -0.696 107.946 108.800 -0.264 0.000 2.418 410 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.217 410 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.217 410 G C 1.476 176.392 174.900 0.028 0.000 1.158 410 G CA 0.746 45.780 45.100 -0.109 0.000 0.771 410 G HN 0.429 nan 8.290 nan 0.000 0.545 411 N N 0.525 119.293 118.700 0.113 0.000 2.188 411 N HA -0.002 4.738 4.740 -0.001 0.000 0.184 411 N C 2.245 177.908 175.510 0.256 0.000 1.018 411 N CA 0.565 53.798 53.050 0.306 0.000 0.858 411 N CB -0.137 38.592 38.487 0.404 0.000 0.989 411 N HN 0.332 nan 8.380 nan 0.000 0.426 412 I N 0.863 121.543 120.570 0.184 0.000 2.226 412 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 412 I C 1.987 178.163 176.117 0.097 0.000 1.100 412 I CA 0.859 62.252 61.300 0.154 0.000 1.374 412 I CB -0.119 38.041 38.000 0.266 0.000 1.057 412 I HN 0.042 nan 8.210 nan 0.000 0.413 413 I N -0.115 120.518 120.570 0.106 0.000 2.163 413 I HA -0.301 3.868 4.170 -0.001 0.000 0.240 413 I C 2.491 178.720 176.117 0.186 0.000 1.081 413 I CA 1.268 62.658 61.300 0.150 0.000 1.353 413 I CB -0.220 37.863 38.000 0.137 0.000 1.054 413 I HN 0.196 nan 8.210 nan 0.000 0.407 414 M N -0.766 118.871 119.600 0.062 0.000 2.254 414 M HA -0.114 4.366 4.480 -0.001 0.000 0.265 414 M C 1.049 177.124 176.300 -0.374 0.000 1.066 414 M CA 1.727 56.949 55.300 -0.131 0.000 1.123 414 M CB -0.703 31.711 32.600 -0.310 0.000 1.388 414 M HN 0.210 nan 8.290 nan 0.000 0.425 415 Y N -0.792 119.512 120.300 0.008 0.000 2.720 415 Y HA 0.478 5.027 4.550 -0.001 0.000 0.268 415 Y C 1.776 177.437 175.900 -0.399 0.000 1.142 415 Y CA -0.282 57.713 58.100 -0.176 0.000 1.193 415 Y CB -0.839 37.478 38.460 -0.238 0.000 1.176 415 Y HN 0.143 nan 8.280 nan 0.000 0.542 416 A N 0.963 123.577 122.820 -0.343 0.000 1.917 416 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 416 A C -0.387 176.942 177.584 -0.425 0.000 1.182 416 A CA 1.694 53.502 52.037 -0.381 0.000 0.633 416 A CB -1.384 17.391 19.000 -0.375 0.000 0.819 416 A HN 0.284 nan 8.150 nan 0.000 0.448 417 P HA 0.003 nan 4.420 nan 0.000 0.230 417 P C 0.587 177.664 177.300 -0.372 0.000 1.158 417 P CA 1.246 64.114 63.100 -0.387 0.000 0.769 417 P CB -0.378 31.130 31.700 -0.320 0.000 0.807 418 T N -2.723 111.606 114.554 -0.375 0.000 2.899 418 T HA 0.130 4.480 4.350 -0.001 0.000 0.295 418 T C 1.124 175.397 174.700 -0.712 0.000 1.033 418 T CA -0.669 61.156 62.100 -0.458 0.000 1.084 418 T CB 0.716 69.114 68.868 -0.782 0.000 0.979 418 T HN -0.137 nan 8.240 nan 0.000 0.532 419 L N 1.902 122.573 121.223 -0.920 0.000 2.042 419 L HA 0.012 4.351 4.340 -0.001 0.000 0.210 419 L C 2.333 178.860 176.870 -0.573 0.000 1.076 419 L CA 1.653 55.891 54.840 -1.004 0.000 0.749 419 L CB -0.745 40.684 42.059 -1.050 0.000 0.893 419 L HN 0.915 nan 8.230 nan 0.000 0.432 420 W N -0.923 120.171 121.300 -0.344 0.000 2.453 420 W HA 0.173 4.833 4.660 -0.001 0.000 0.289 420 W C 2.041 178.437 176.519 -0.205 0.000 1.215 420 W CA 0.568 57.753 57.345 -0.268 0.000 1.297 420 W CB -1.268 28.071 29.460 -0.201 0.000 1.113 420 W HN 0.291 nan 8.180 nan 0.000 0.551 421 A N 2.165 124.538 122.820 -0.745 0.000 1.902 421 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 421 A C 2.250 179.700 177.584 -0.224 0.000 1.181 421 A CA 1.953 53.718 52.037 -0.453 0.000 0.623 421 A CB -0.785 17.824 19.000 -0.652 0.000 0.818 421 A HN 0.316 nan 8.150 nan 0.000 0.443 422 R N -1.054 119.228 120.500 -0.364 0.000 2.062 422 R HA 0.065 4.404 4.340 -0.001 0.000 0.229 422 R C 2.232 178.367 176.300 -0.274 0.000 1.128 422 R CA 1.659 57.561 56.100 -0.330 0.000 0.960 422 R CB -0.343 29.602 30.300 -0.592 0.000 0.855 422 R HN 0.500 nan 8.270 nan 0.000 0.432 423 M N -0.340 118.982 119.600 -0.463 0.000 2.334 423 M HA 0.016 4.496 4.480 -0.001 0.000 0.266 423 M C 1.780 178.032 176.300 -0.080 0.000 1.082 423 M CA 1.381 56.497 55.300 -0.306 0.000 1.141 423 M CB 0.178 32.536 32.600 -0.403 0.000 1.380 423 M HN 0.112 nan 8.290 nan 0.000 0.440 424 I N -0.730 119.658 120.570 -0.304 0.000 3.196 424 I HA -0.081 4.089 4.170 -0.001 0.000 0.248 424 I C 2.025 177.997 176.117 -0.242 0.000 1.105 424 I CA 0.297 61.163 61.300 -0.724 0.000 1.482 424 I CB -0.164 37.322 38.000 -0.857 0.000 1.400 424 I HN 0.090 nan 8.210 nan 0.000 0.464 425 L N 0.215 121.471 121.223 0.054 0.000 2.017 425 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 425 L C 2.616 179.783 176.870 0.494 0.000 1.073 425 L CA 1.698 56.752 54.840 0.357 0.000 0.745 425 L CB -0.481 41.833 42.059 0.424 0.000 0.894 425 L HN 0.289 nan 8.230 nan 0.000 0.432 426 M N -1.082 118.783 119.600 0.442 0.000 2.132 426 M HA -0.145 4.334 4.480 -0.001 0.000 0.263 426 M C 2.326 179.123 176.300 0.828 0.000 1.065 426 M CA 1.821 57.507 55.300 0.643 0.000 1.122 426 M CB -0.654 32.134 32.600 0.314 0.000 1.365 426 M HN 0.220 nan 8.290 nan 0.000 0.411 427 T N -0.984 114.018 114.554 0.747 0.000 2.622 427 T HA -0.247 4.103 4.350 -0.001 0.000 0.266 427 T C 1.710 176.704 174.700 0.490 0.000 1.047 427 T CA 2.083 64.600 62.100 0.695 0.000 1.159 427 T CB -0.608 68.703 68.868 0.739 0.000 0.863 427 T HN 0.454 nan 8.240 nan 0.000 0.422 428 H N 0.346 119.587 119.070 0.284 0.000 2.293 428 H HA -0.025 4.530 4.556 -0.001 0.000 0.300 428 H C 1.850 177.032 175.328 -0.244 0.000 1.082 428 H CA 1.647 57.718 56.048 0.039 0.000 1.308 428 H CB -0.505 29.156 29.762 -0.167 0.000 1.375 428 H HN 0.342 nan 8.280 nan 0.000 0.495 429 F N -1.044 118.865 119.950 -0.068 0.000 2.206 429 F HA -0.023 4.503 4.527 -0.001 0.000 0.298 429 F C 2.042 177.651 175.800 -0.318 0.000 1.090 429 F CA 0.659 58.365 58.000 -0.489 0.000 1.323 429 F CB -0.602 37.677 39.000 -1.202 0.000 1.028 429 F HN 0.143 nan 8.300 nan 0.000 0.492 430 F N -0.498 119.545 119.950 0.155 0.000 2.171 430 F HA -0.212 4.315 4.527 -0.001 0.000 0.300 430 F C 2.771 178.600 175.800 0.048 0.000 1.090 430 F CA 1.600 59.709 58.000 0.182 0.000 1.293 430 F CB -1.001 38.216 39.000 0.361 0.000 1.013 430 F HN -0.097 nan 8.300 nan 0.000 0.486 431 S N 0.501 116.281 115.700 0.134 0.000 2.359 431 S HA -0.204 4.265 4.470 -0.001 0.000 0.224 431 S C 2.143 176.694 174.600 -0.081 0.000 1.035 431 S CA 1.634 59.835 58.200 0.002 0.000 1.018 431 S CB -0.523 62.661 63.200 -0.028 0.000 0.876 431 S HN 0.315 nan 8.310 nan 0.000 0.448 432 I N 1.372 121.816 120.570 -0.209 0.000 2.163 432 I HA -0.206 3.963 4.170 -0.001 0.000 0.243 432 I C 2.275 178.344 176.117 -0.081 0.000 1.085 432 I CA 1.264 62.441 61.300 -0.205 0.000 1.347 432 I CB -0.404 37.392 38.000 -0.340 0.000 1.044 432 I HN 0.326 nan 8.210 nan 0.000 0.408 433 L N -0.002 121.186 121.223 -0.059 0.000 2.046 433 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 433 L C 2.599 179.490 176.870 0.036 0.000 1.077 433 L CA 1.259 56.098 54.840 -0.003 0.000 0.747 433 L CB -0.602 41.430 42.059 -0.045 0.000 0.896 433 L HN 0.282 nan 8.230 nan 0.000 0.432 434 L N 0.143 121.401 121.223 0.059 0.000 1.990 434 L HA -0.251 4.089 4.340 -0.001 0.000 0.213 434 L C 2.793 179.681 176.870 0.031 0.000 1.072 434 L CA 1.557 56.436 54.840 0.065 0.000 0.755 434 L CB -0.615 41.486 42.059 0.071 0.000 0.889 434 L HN 0.258 nan 8.230 nan 0.000 0.432 435 A N -1.379 121.446 122.820 0.007 0.000 2.125 435 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 435 A C 1.877 179.465 177.584 0.005 0.000 1.156 435 A CA 1.267 53.301 52.037 -0.004 0.000 0.671 435 A CB -0.175 18.808 19.000 -0.027 0.000 0.794 435 A HN 0.521 nan 8.150 nan 0.000 0.459 436 Q N -1.874 117.936 119.800 0.017 0.000 2.217 436 Q HA 0.257 4.597 4.340 -0.001 0.000 0.217 436 Q C 0.414 176.436 176.000 0.038 0.000 0.844 436 Q CA 0.860 56.680 55.803 0.029 0.000 0.957 436 Q CB -0.313 28.450 28.738 0.042 0.000 1.127 436 Q HN 0.956 nan 8.270 nan 0.000 0.503 437 E N 1.415 121.639 120.200 0.040 0.000 2.269 437 E HA -0.262 4.088 4.350 -0.001 0.000 0.223 437 E C 0.350 176.983 176.600 0.055 0.000 1.244 437 E CA 1.413 57.842 56.400 0.048 0.000 0.713 437 E CB -2.817 26.907 29.700 0.040 0.000 1.178 437 E HN 0.584 nan 8.360 nan 0.000 0.370 438 Q N -1.212 118.624 119.800 0.061 0.000 2.189 438 Q HA 0.373 4.713 4.340 -0.001 0.000 0.221 438 Q C 1.620 177.665 176.000 0.076 0.000 0.848 438 Q CA -0.358 55.486 55.803 0.068 0.000 1.007 438 Q CB 0.292 29.077 28.738 0.078 0.000 1.116 438 Q HN 0.540 nan 8.270 nan 0.000 0.481 439 L N 0.897 122.169 121.223 0.082 0.000 2.079 439 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 439 L C 1.768 178.699 176.870 0.101 0.000 1.081 439 L CA 1.886 56.788 54.840 0.102 0.000 0.752 439 L CB -0.346 41.800 42.059 0.146 0.000 0.896 439 L HN 0.314 nan 8.230 nan 0.000 0.433 440 E N -0.794 119.457 120.200 0.085 0.000 2.478 440 E HA -0.058 4.292 4.350 -0.001 0.000 0.194 440 E C 0.798 177.439 176.600 0.067 0.000 1.045 440 E CA -0.114 56.332 56.400 0.076 0.000 0.868 440 E CB 0.228 29.966 29.700 0.064 0.000 0.885 440 E HN 0.316 nan 8.360 nan 0.000 0.505 441 K N 1.949 122.390 120.400 0.068 0.000 2.312 441 K HA 0.283 4.602 4.320 -0.001 0.000 0.287 441 K C -0.509 176.129 176.600 0.063 0.000 1.062 441 K CA -0.226 56.097 56.287 0.060 0.000 0.934 441 K CB 0.792 33.327 32.500 0.059 0.000 1.027 441 K HN -0.123 nan 8.250 nan 0.000 0.478 442 A N 5.400 128.253 122.820 0.055 0.000 2.440 442 A HA 0.321 4.640 4.320 -0.001 0.000 0.251 442 A C -0.459 177.151 177.584 0.043 0.000 1.089 442 A CA -0.235 51.834 52.037 0.054 0.000 0.779 442 A CB 0.155 19.192 19.000 0.061 0.000 1.022 442 A HN 0.775 nan 8.150 nan 0.000 0.492 443 L N 1.949 123.185 121.223 0.022 0.000 2.362 443 L HA 0.374 4.713 4.340 -0.001 0.000 0.271 443 L C -0.848 176.007 176.870 -0.026 0.000 1.002 443 L CA -1.060 53.775 54.840 -0.008 0.000 0.818 443 L CB 2.052 44.078 42.059 -0.055 0.000 1.298 443 L HN 0.586 nan 8.230 nan 0.000 0.420 444 D N 1.432 121.823 120.400 -0.015 0.000 2.304 444 D HA 0.436 5.076 4.640 -0.001 0.000 0.250 444 D C -0.379 175.872 176.300 -0.082 0.000 1.107 444 D CA 0.031 54.030 54.000 -0.002 0.000 0.885 444 D CB 1.376 42.198 40.800 0.037 0.000 1.192 444 D HN 0.595 nan 8.370 nan 0.000 0.436 445 C N 0.575 119.827 119.300 -0.080 0.000 3.323 445 C HA 0.710 5.169 4.460 -0.001 0.000 0.324 445 C C -1.013 173.932 174.990 -0.074 0.000 1.428 445 C CA -0.846 58.096 59.018 -0.126 0.000 1.368 445 C CB 1.340 28.952 27.740 -0.214 0.000 1.731 445 C HN 0.514 nan 8.230 nan 0.000 0.455 446 Q N 0.336 120.087 119.800 -0.081 0.000 2.353 446 Q HA 0.772 5.112 4.340 -0.001 0.000 0.268 446 Q C -1.483 174.474 176.000 -0.071 0.000 1.045 446 Q CA -0.363 55.409 55.803 -0.052 0.000 0.811 446 Q CB 2.442 31.155 28.738 -0.043 0.000 1.305 446 Q HN 0.715 nan 8.270 nan 0.000 0.447 447 I N 2.597 123.125 120.570 -0.070 0.000 2.478 447 I HA 0.205 4.375 4.170 -0.001 0.000 0.287 447 I C -1.063 175.030 176.117 -0.040 0.000 1.042 447 I CA -0.737 60.439 61.300 -0.207 0.000 1.067 447 I CB 1.214 38.831 38.000 -0.640 0.000 1.233 447 I HN 0.644 nan 8.210 nan 0.000 0.431 448 Y N 5.203 125.519 120.300 0.026 0.000 3.225 448 Y HA -0.250 4.300 4.550 -0.001 0.000 0.211 448 Y C 1.496 177.328 175.900 -0.112 0.000 1.223 448 Y CA 1.084 59.174 58.100 -0.017 0.000 1.284 448 Y CB -1.961 36.478 38.460 -0.034 0.000 1.367 448 Y HN 0.990 nan 8.280 nan 0.000 0.566 449 G N -2.188 106.668 108.800 0.093 0.000 2.205 449 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.261 449 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.261 449 G C 0.459 175.347 174.900 -0.020 0.000 0.980 449 G CA 0.259 45.375 45.100 0.026 0.000 0.632 449 G HN 1.558 nan 8.290 nan 0.000 0.533 450 A N -0.795 121.995 122.820 -0.050 0.000 2.295 450 A HA 0.691 5.011 4.320 -0.001 0.000 0.318 450 A C 0.470 177.810 177.584 -0.407 0.000 1.134 450 A CA 0.294 52.128 52.037 -0.338 0.000 0.827 450 A CB 1.055 19.695 19.000 -0.600 0.000 1.136 450 A HN 0.983 nan 8.150 nan 0.000 0.493 451 C N 0.763 119.741 119.300 -0.536 0.000 2.341 451 C HA 0.698 5.158 4.460 -0.001 0.000 0.338 451 C C -0.784 173.792 174.990 -0.691 0.000 1.257 451 C CA -0.230 58.577 59.018 -0.350 0.000 1.883 451 C CB -0.979 26.728 27.740 -0.055 0.000 2.334 451 C HN 0.698 nan 8.230 nan 0.000 0.524 452 Y N 0.662 120.793 120.300 -0.282 0.000 2.442 452 Y HA 0.435 4.984 4.550 -0.001 0.000 0.344 452 Y C 0.332 176.134 175.900 -0.164 0.000 0.976 452 Y CA -0.359 57.535 58.100 -0.344 0.000 1.040 452 Y CB 1.660 39.866 38.460 -0.423 0.000 1.228 452 Y HN 0.554 nan 8.280 nan 0.000 0.451 453 S N 3.901 119.616 115.700 0.025 0.000 2.422 453 S HA 0.683 5.153 4.470 -0.001 0.000 0.298 453 S C -0.826 173.826 174.600 0.087 0.000 1.118 453 S CA -0.303 57.953 58.200 0.094 0.000 1.083 453 S CB -0.332 62.964 63.200 0.160 0.000 0.971 453 S HN 0.514 nan 8.310 nan 0.000 0.478 454 I N 3.832 124.438 120.570 0.059 0.000 2.533 454 I HA 0.327 4.497 4.170 -0.001 0.000 0.290 454 I C -0.175 175.971 176.117 0.048 0.000 1.056 454 I CA -0.572 60.767 61.300 0.066 0.000 1.057 454 I CB 2.161 40.194 38.000 0.056 0.000 1.240 454 I HN 0.513 nan 8.210 nan 0.000 0.423 455 E N 7.135 127.377 120.200 0.069 0.000 2.223 455 E HA 0.155 4.505 4.350 -0.001 0.000 0.282 455 E C -1.760 174.897 176.600 0.095 0.000 1.046 455 E CA -1.540 54.905 56.400 0.075 0.000 0.857 455 E CB 1.122 30.868 29.700 0.076 0.000 1.055 455 E HN 0.316 nan 8.360 nan 0.000 0.409 456 P HA -0.152 nan 4.420 nan 0.000 0.221 456 P C 0.925 178.381 177.300 0.259 0.000 1.145 456 P CA 0.965 64.151 63.100 0.143 0.000 0.795 456 P CB 0.236 31.978 31.700 0.070 0.000 0.775 457 L N -0.907 120.443 121.223 0.212 0.000 2.551 457 L HA -0.068 4.271 4.340 -0.001 0.000 0.228 457 L C 0.972 177.940 176.870 0.163 0.000 1.153 457 L CA 1.040 56.015 54.840 0.224 0.000 0.851 457 L CB -0.479 41.676 42.059 0.159 0.000 0.959 457 L HN -0.034 nan 8.230 nan 0.000 0.451 458 D N -0.650 119.834 120.400 0.140 0.000 2.349 458 D HA 0.057 4.697 4.640 -0.001 0.000 0.214 458 D C 2.163 178.525 176.300 0.104 0.000 1.063 458 D CA 0.135 54.189 54.000 0.090 0.000 0.847 458 D CB 0.463 41.300 40.800 0.061 0.000 0.933 458 D HN 0.244 nan 8.370 nan 0.000 0.513 459 L N 1.154 122.486 121.223 0.182 0.000 2.012 459 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 459 L C -0.464 176.517 176.870 0.185 0.000 1.073 459 L CA 1.600 56.566 54.840 0.211 0.000 0.748 459 L CB -1.475 40.788 42.059 0.341 0.000 0.891 459 L HN 0.051 nan 8.230 nan 0.000 0.431 460 P HA -0.183 nan 4.420 nan 0.000 0.215 460 P C 1.360 178.737 177.300 0.128 0.000 1.153 460 P CA 1.308 64.474 63.100 0.109 0.000 0.853 460 P CB 0.035 31.611 31.700 -0.208 0.000 0.788 461 Q N -0.734 119.066 119.800 -0.001 0.000 2.079 461 Q HA -0.073 4.266 4.340 -0.001 0.000 0.200 461 Q C 2.247 178.230 176.000 -0.030 0.000 0.974 461 Q CA 1.180 56.964 55.803 -0.032 0.000 0.840 461 Q CB -0.927 27.773 28.738 -0.064 0.000 0.898 461 Q HN 0.225 nan 8.270 nan 0.000 0.430 462 I N 0.128 120.685 120.570 -0.022 0.000 2.208 462 I HA -0.294 3.876 4.170 -0.001 0.000 0.245 462 I C 1.968 178.075 176.117 -0.018 0.000 1.097 462 I CA 1.243 62.493 61.300 -0.083 0.000 1.363 462 I CB -0.177 37.807 38.000 -0.026 0.000 1.051 462 I HN 0.198 nan 8.210 nan 0.000 0.413 463 I N 0.142 120.768 120.570 0.093 0.000 2.252 463 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 463 I C 2.620 178.734 176.117 -0.006 0.000 1.102 463 I CA 1.263 62.630 61.300 0.112 0.000 1.385 463 I CB -0.360 37.714 38.000 0.124 0.000 1.064 463 I HN 0.256 nan 8.210 nan 0.000 0.414 464 E N 1.068 121.285 120.200 0.028 0.000 2.058 464 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 464 E C 2.381 178.951 176.600 -0.051 0.000 0.997 464 E CA 1.099 57.494 56.400 -0.008 0.000 0.801 464 E CB 0.101 29.866 29.700 0.108 0.000 0.746 464 E HN 0.260 nan 8.360 nan 0.000 0.450 465 R N 0.213 120.669 120.500 -0.074 0.000 2.091 465 R HA -0.131 4.209 4.340 -0.001 0.000 0.238 465 R C 2.473 178.689 176.300 -0.141 0.000 1.136 465 R CA 1.046 57.074 56.100 -0.119 0.000 0.959 465 R CB -0.645 29.546 30.300 -0.181 0.000 0.856 465 R HN 0.364 nan 8.270 nan 0.000 0.437 466 L N -1.134 119.991 121.223 -0.163 0.000 2.202 466 L HA -0.036 4.304 4.340 -0.001 0.000 0.205 466 L C 1.873 178.479 176.870 -0.439 0.000 1.083 466 L CA 0.923 55.591 54.840 -0.286 0.000 0.790 466 L CB -0.260 41.613 42.059 -0.311 0.000 0.942 466 L HN 0.260 nan 8.230 nan 0.000 0.452 467 H N -0.902 118.088 119.070 -0.134 0.000 3.046 467 H HA 0.290 4.845 4.556 -0.001 0.000 0.262 467 H C 0.911 176.140 175.328 -0.164 0.000 1.044 467 H CA 0.775 56.730 56.048 -0.156 0.000 1.209 467 H CB 1.176 30.820 29.762 -0.197 0.000 1.507 467 H HN 0.285 nan 8.280 nan 0.000 0.507 468 G N 0.950 109.707 108.800 -0.072 0.000 2.756 468 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.678 468 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.678 468 G C 0.653 175.474 174.900 -0.133 0.000 1.349 468 G CA -0.155 44.902 45.100 -0.071 0.000 0.847 468 G HN 0.216 nan 8.290 nan 0.000 0.548 469 L N 1.011 122.214 121.223 -0.034 0.000 2.275 469 L HA -0.073 4.266 4.340 -0.001 0.000 0.215 469 L C 3.205 180.064 176.870 -0.018 0.000 1.119 469 L CA 2.066 56.938 54.840 0.054 0.000 0.790 469 L CB -0.489 41.683 42.059 0.188 0.000 0.919 469 L HN 0.915 nan 8.230 nan 0.000 0.443 470 S N 0.119 115.785 115.700 -0.057 0.000 2.419 470 S HA -0.191 4.279 4.470 -0.001 0.000 0.235 470 S C 2.115 176.634 174.600 -0.136 0.000 1.019 470 S CA 0.846 59.011 58.200 -0.059 0.000 0.982 470 S CB -0.388 62.776 63.200 -0.059 0.000 0.789 470 S HN 0.369 nan 8.310 nan 0.000 0.490 471 A N 0.649 123.295 122.820 -0.290 0.000 2.076 471 A HA 0.127 4.446 4.320 -0.001 0.000 0.220 471 A C 1.510 178.925 177.584 -0.282 0.000 1.160 471 A CA 1.074 52.881 52.037 -0.384 0.000 0.653 471 A CB -0.844 17.835 19.000 -0.535 0.000 0.801 471 A HN 0.604 nan 8.150 nan 0.000 0.455 472 F N -0.703 119.267 119.950 0.033 0.000 2.765 472 F HA 0.181 4.707 4.527 -0.001 0.000 0.302 472 F C 1.887 177.738 175.800 0.084 0.000 1.111 472 F CA 0.502 58.547 58.000 0.075 0.000 1.359 472 F CB -0.014 39.059 39.000 0.121 0.000 1.097 472 F HN 0.096 nan 8.300 nan 0.000 0.577 473 S N -0.783 115.025 115.700 0.180 0.000 2.559 473 S HA 0.292 4.761 4.470 -0.001 0.000 0.226 473 S C 0.617 175.289 174.600 0.121 0.000 1.030 473 S CA -0.276 58.016 58.200 0.154 0.000 0.956 473 S CB 0.365 63.635 63.200 0.117 0.000 0.900 473 S HN 0.008 nan 8.310 nan 0.000 0.510 474 L N 3.421 124.642 121.223 -0.004 0.000 2.483 474 L HA 0.267 4.607 4.340 -0.001 0.000 0.276 474 L C 0.405 177.219 176.870 -0.094 0.000 1.213 474 L CA 0.314 55.039 54.840 -0.192 0.000 0.843 474 L CB 0.028 41.824 42.059 -0.439 0.000 1.107 474 L HN 0.519 nan 8.230 nan 0.000 0.487 475 H N -1.727 117.181 119.070 -0.271 0.000 2.948 475 H HA 0.350 4.905 4.556 -0.001 0.000 0.315 475 H C -0.379 174.847 175.328 -0.170 0.000 1.360 475 H CA -0.843 55.136 56.048 -0.115 0.000 1.125 475 H CB 0.933 30.696 29.762 0.001 0.000 1.844 475 H HN 0.410 nan 8.280 nan 0.000 0.529 476 S N -0.428 115.353 115.700 0.136 0.000 3.484 476 S HA -0.243 4.227 4.470 -0.001 0.000 0.384 476 S C -0.483 174.147 174.600 0.050 0.000 0.932 476 S CA 0.580 58.829 58.200 0.081 0.000 1.293 476 S CB -2.553 60.602 63.200 -0.075 0.000 0.919 476 S HN 0.527 nan 8.310 nan 0.000 0.540 477 Y N 1.754 122.093 120.300 0.064 0.000 2.459 477 Y HA 0.267 4.816 4.550 -0.001 0.000 0.349 477 Y C 1.447 177.409 175.900 0.104 0.000 1.266 477 Y CA 0.382 58.531 58.100 0.082 0.000 1.483 477 Y CB 0.358 38.851 38.460 0.056 0.000 1.362 477 Y HN 0.558 nan 8.280 nan 0.000 0.628 478 S N 1.294 117.161 115.700 0.277 0.000 2.580 478 S HA 0.198 4.667 4.470 -0.001 0.000 0.274 478 S C -2.041 172.650 174.600 0.153 0.000 1.329 478 S CA -1.209 57.097 58.200 0.176 0.000 1.036 478 S CB 1.396 64.678 63.200 0.136 0.000 0.919 478 S HN 0.412 nan 8.310 nan 0.000 0.515 479 P HA -0.065 nan 4.420 nan 0.000 0.216 479 P C 1.720 179.068 177.300 0.079 0.000 1.154 479 P CA 1.817 64.971 63.100 0.089 0.000 0.865 479 P CB -0.435 31.307 31.700 0.070 0.000 0.789 480 G N -0.380 108.464 108.800 0.074 0.000 2.422 480 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.218 480 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.218 480 G C 1.657 176.598 174.900 0.069 0.000 1.146 480 G CA 0.952 46.087 45.100 0.060 0.000 0.769 480 G HN 0.281 nan 8.290 nan 0.000 0.547 481 E N 0.673 120.936 120.200 0.106 0.000 2.028 481 E HA -0.024 4.325 4.350 -0.001 0.000 0.190 481 E C 2.462 179.127 176.600 0.107 0.000 0.984 481 E CA 0.690 57.169 56.400 0.133 0.000 0.800 481 E CB -0.385 29.456 29.700 0.234 0.000 0.758 481 E HN 0.476 nan 8.360 nan 0.000 0.448 482 I N 1.041 121.677 120.570 0.109 0.000 2.163 482 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 482 I C 1.866 178.016 176.117 0.055 0.000 1.085 482 I CA 1.283 62.628 61.300 0.076 0.000 1.347 482 I CB -0.533 37.520 38.000 0.088 0.000 1.044 482 I HN 0.146 nan 8.210 nan 0.000 0.408 483 N N 0.669 119.401 118.700 0.054 0.000 2.166 483 N HA -0.195 4.545 4.740 -0.001 0.000 0.186 483 N C 1.865 177.388 175.510 0.022 0.000 1.019 483 N CA 1.115 54.188 53.050 0.038 0.000 0.856 483 N CB -0.452 38.057 38.487 0.037 0.000 0.993 483 N HN 0.368 nan 8.380 nan 0.000 0.426 484 R N 0.779 121.289 120.500 0.017 0.000 2.066 484 R HA -0.014 4.326 4.340 -0.001 0.000 0.232 484 R C 1.786 178.062 176.300 -0.039 0.000 1.131 484 R CA 0.916 57.009 56.100 -0.013 0.000 0.955 484 R CB -0.180 30.107 30.300 -0.021 0.000 0.851 484 R HN -0.041 nan 8.270 nan 0.000 0.432 485 V N 1.260 121.159 119.914 -0.026 0.000 2.287 485 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 485 V C 2.513 178.596 176.094 -0.018 0.000 1.053 485 V CA 2.026 64.300 62.300 -0.044 0.000 1.027 485 V CB -0.832 31.000 31.823 0.015 0.000 0.646 485 V HN 0.567 nan 8.190 nan 0.000 0.447 486 A N -0.394 122.433 122.820 0.012 0.000 1.933 486 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 486 A C 2.577 180.174 177.584 0.022 0.000 1.175 486 A CA 2.189 54.243 52.037 0.029 0.000 0.628 486 A CB -0.778 18.245 19.000 0.039 0.000 0.814 486 A HN 0.540 nan 8.150 nan 0.000 0.444 487 S N -1.017 114.689 115.700 0.011 0.000 2.368 487 S HA -0.219 4.251 4.470 -0.001 0.000 0.225 487 S C 2.099 176.701 174.600 0.004 0.000 1.030 487 S CA 1.724 59.930 58.200 0.010 0.000 0.999 487 S CB -1.041 62.161 63.200 0.002 0.000 0.844 487 S HN 0.803 nan 8.310 nan 0.000 0.459 488 C N 1.369 120.655 119.300 -0.024 0.000 2.446 488 C HA 0.133 4.593 4.460 -0.001 0.000 0.277 488 C C 2.541 177.527 174.990 -0.005 0.000 1.275 488 C CA 0.748 59.744 59.018 -0.037 0.000 1.727 488 C CB -1.733 25.941 27.740 -0.110 0.000 2.010 488 C HN 0.696 nan 8.230 nan 0.000 0.486 489 L N 0.356 121.582 121.223 0.006 0.000 2.083 489 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 489 L C 3.041 179.936 176.870 0.042 0.000 1.083 489 L CA 1.566 56.428 54.840 0.036 0.000 0.752 489 L CB -0.909 41.190 42.059 0.068 0.000 0.899 489 L HN 0.374 nan 8.230 nan 0.000 0.433 490 R N 0.492 121.022 120.500 0.051 0.000 2.073 490 R HA -0.199 4.141 4.340 -0.001 0.000 0.234 490 R C 2.379 178.757 176.300 0.130 0.000 1.134 490 R CA 1.569 57.715 56.100 0.076 0.000 0.952 490 R CB -0.243 30.097 30.300 0.066 0.000 0.850 490 R HN 0.283 nan 8.270 nan 0.000 0.433 491 K N 0.493 120.956 120.400 0.105 0.000 2.026 491 K HA -0.148 4.171 4.320 -0.001 0.000 0.208 491 K C 1.545 178.279 176.600 0.223 0.000 1.048 491 K CA 1.290 57.657 56.287 0.133 0.000 0.929 491 K CB 0.080 32.624 32.500 0.073 0.000 0.713 491 K HN -0.002 nan 8.250 nan 0.000 0.439 492 L N -0.152 121.153 121.223 0.135 0.000 2.529 492 L HA 0.228 4.568 4.340 -0.001 0.000 0.223 492 L C 0.984 177.815 176.870 -0.064 0.000 1.113 492 L CA 1.209 56.115 54.840 0.110 0.000 0.861 492 L CB 0.172 42.270 42.059 0.064 0.000 1.012 492 L HN 0.501 nan 8.230 nan 0.000 0.461 493 G N 0.119 108.787 108.800 -0.220 0.000 2.225 493 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.264 493 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.264 493 G C 0.109 174.889 174.900 -0.201 0.000 1.060 493 G CA 0.179 44.953 45.100 -0.543 0.000 0.833 493 G HN 0.105 nan 8.290 nan 0.000 0.498 494 V N 0.676 120.569 119.914 -0.035 0.000 2.583 494 V HA 0.365 4.484 4.120 -0.001 0.000 0.287 494 V C -1.053 175.126 176.094 0.142 0.000 1.051 494 V CA -1.432 60.933 62.300 0.108 0.000 1.010 494 V CB 1.267 33.186 31.823 0.160 0.000 0.988 494 V HN 0.204 nan 8.190 nan 0.000 0.478 495 P HA 0.078 nan 4.420 nan 0.000 0.266 495 P C -2.421 175.001 177.300 0.202 0.000 1.193 495 P CA -0.559 62.559 63.100 0.029 0.000 0.770 495 P CB -0.183 31.334 31.700 -0.305 0.000 0.836 496 P HA 0.047 nan 4.420 nan 0.000 0.272 496 P C 0.981 178.458 177.300 0.294 0.000 1.230 496 P CA -0.020 63.184 63.100 0.172 0.000 0.788 496 P CB 0.727 32.478 31.700 0.086 0.000 0.949 497 L N 1.111 122.518 121.223 0.306 0.000 2.089 497 L HA -0.270 4.069 4.340 -0.001 0.000 0.213 497 L C 2.849 179.906 176.870 0.312 0.000 1.079 497 L CA 2.150 57.196 54.840 0.343 0.000 0.758 497 L CB -0.962 41.210 42.059 0.188 0.000 0.891 497 L HN 0.493 nan 8.230 nan 0.000 0.433 498 R N -0.326 120.294 120.500 0.199 0.000 2.096 498 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 498 R C 2.025 178.409 176.300 0.141 0.000 1.127 498 R CA 1.464 57.663 56.100 0.165 0.000 0.968 498 R CB -1.137 29.224 30.300 0.102 0.000 0.861 498 R HN 0.121 nan 8.270 nan 0.000 0.440 499 V N 0.713 120.650 119.914 0.039 0.000 2.295 499 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 499 V C 2.056 178.102 176.094 -0.081 0.000 1.049 499 V CA 1.917 64.146 62.300 -0.118 0.000 1.024 499 V CB -0.699 30.925 31.823 -0.332 0.000 0.648 499 V HN 0.400 nan 8.190 nan 0.000 0.447 500 W N 0.050 121.448 121.300 0.164 0.000 2.338 500 W HA -0.182 4.478 4.660 -0.001 0.000 0.304 500 W C 2.757 179.475 176.519 0.332 0.000 1.212 500 W CA 1.692 59.177 57.345 0.233 0.000 1.264 500 W CB -0.357 29.234 29.460 0.217 0.000 1.142 500 W HN 0.053 nan 8.180 nan 0.000 0.512 501 R N -0.242 120.583 120.500 0.541 0.000 2.083 501 R HA -0.234 4.105 4.340 -0.001 0.000 0.237 501 R C 2.029 178.452 176.300 0.206 0.000 1.137 501 R CA 2.218 58.595 56.100 0.462 0.000 0.951 501 R CB -0.792 29.746 30.300 0.397 0.000 0.851 501 R HN 0.284 nan 8.270 nan 0.000 0.434 502 H N 0.105 119.232 119.070 0.094 0.000 2.290 502 H HA -0.054 4.502 4.556 -0.001 0.000 0.298 502 H C 2.187 177.501 175.328 -0.025 0.000 1.087 502 H CA 2.268 58.319 56.048 0.005 0.000 1.291 502 H CB 0.118 29.866 29.762 -0.022 0.000 1.369 502 H HN 0.123 nan 8.280 nan 0.000 0.492 503 R N -0.263 120.328 120.500 0.153 0.000 2.127 503 R HA -0.124 4.215 4.340 -0.001 0.000 0.238 503 R C 2.468 178.763 176.300 -0.008 0.000 1.134 503 R CA 0.935 57.077 56.100 0.070 0.000 0.975 503 R CB -0.263 30.081 30.300 0.074 0.000 0.865 503 R HN 0.403 nan 8.270 nan 0.000 0.447 504 A N 1.081 123.915 122.820 0.024 0.000 1.930 504 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 504 A C 2.053 179.399 177.584 -0.398 0.000 1.175 504 A CA 1.043 52.980 52.037 -0.167 0.000 0.627 504 A CB -0.266 18.672 19.000 -0.104 0.000 0.815 504 A HN 0.212 nan 8.150 nan 0.000 0.443 505 R N -0.491 119.819 120.500 -0.316 0.000 2.105 505 R HA -0.110 4.229 4.340 -0.001 0.000 0.239 505 R C 2.627 178.756 176.300 -0.285 0.000 1.135 505 R CA 1.515 57.426 56.100 -0.315 0.000 0.967 505 R CB -0.394 29.730 30.300 -0.293 0.000 0.861 505 R HN 0.562 nan 8.270 nan 0.000 0.442 506 S N 0.193 115.742 115.700 -0.251 0.000 2.345 506 S HA -0.100 4.370 4.470 -0.001 0.000 0.220 506 S C 2.059 176.531 174.600 -0.214 0.000 1.031 506 S CA 1.303 59.387 58.200 -0.193 0.000 0.996 506 S CB -0.196 62.927 63.200 -0.129 0.000 0.882 506 S HN 0.113 nan 8.310 nan 0.000 0.445 507 V N 2.767 122.516 119.914 -0.275 0.000 2.282 507 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 507 V C 2.748 178.577 176.094 -0.442 0.000 1.057 507 V CA 2.433 64.523 62.300 -0.350 0.000 1.032 507 V CB -0.946 30.601 31.823 -0.460 0.000 0.645 507 V HN 0.518 nan 8.190 nan 0.000 0.447 508 R N 0.254 120.397 120.500 -0.595 0.000 2.080 508 R HA -0.199 4.140 4.340 -0.001 0.000 0.236 508 R C 2.364 178.539 176.300 -0.208 0.000 1.137 508 R CA 1.891 57.745 56.100 -0.409 0.000 0.943 508 R CB -0.582 29.509 30.300 -0.349 0.000 0.846 508 R HN 0.471 nan 8.270 nan 0.000 0.431 509 A N 1.113 123.817 122.820 -0.193 0.000 1.917 509 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 509 A C 2.224 179.751 177.584 -0.094 0.000 1.182 509 A CA 1.797 53.758 52.037 -0.127 0.000 0.633 509 A CB -0.537 18.389 19.000 -0.124 0.000 0.819 509 A HN 0.420 nan 8.150 nan 0.000 0.448 510 R N -0.749 119.690 120.500 -0.101 0.000 2.081 510 R HA -0.053 4.287 4.340 -0.001 0.000 0.235 510 R C 2.067 178.351 176.300 -0.026 0.000 1.131 510 R CA 1.522 57.588 56.100 -0.057 0.000 0.960 510 R CB -0.480 29.789 30.300 -0.053 0.000 0.856 510 R HN 0.525 nan 8.270 nan 0.000 0.436 511 L N 0.315 121.519 121.223 -0.031 0.000 2.044 511 L HA -0.142 4.198 4.340 -0.001 0.000 0.205 511 L C 2.259 179.138 176.870 0.016 0.000 1.075 511 L CA 1.050 55.904 54.840 0.023 0.000 0.747 511 L CB -0.388 41.697 42.059 0.043 0.000 0.903 511 L HN 0.169 nan 8.230 nan 0.000 0.435 512 L N -0.925 120.290 121.223 -0.013 0.000 2.081 512 L HA -0.246 4.093 4.340 -0.001 0.000 0.212 512 L C 2.583 179.449 176.870 -0.007 0.000 1.080 512 L CA 1.058 55.890 54.840 -0.013 0.000 0.754 512 L CB -0.643 41.395 42.059 -0.036 0.000 0.893 512 L HN 0.195 nan 8.230 nan 0.000 0.433 513 S N -0.887 114.805 115.700 -0.012 0.000 2.469 513 S HA -0.151 4.319 4.470 -0.001 0.000 0.238 513 S C 1.798 176.402 174.600 0.006 0.000 0.998 513 S CA 0.952 59.148 58.200 -0.008 0.000 0.957 513 S CB -0.104 63.088 63.200 -0.013 0.000 0.764 513 S HN 0.493 nan 8.310 nan 0.000 0.514 514 Q N 0.210 120.021 119.800 0.018 0.000 2.392 514 Q HA 0.239 4.578 4.340 -0.001 0.000 0.203 514 Q C 1.259 177.277 176.000 0.030 0.000 0.917 514 Q CA 0.273 56.093 55.803 0.029 0.000 0.939 514 Q CB 0.223 28.989 28.738 0.047 0.000 1.063 514 Q HN 0.518 nan 8.270 nan 0.000 0.516 515 G N 0.708 109.524 108.800 0.025 0.000 2.801 515 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.244 515 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.244 515 G C 0.485 175.407 174.900 0.036 0.000 1.385 515 G CA 0.028 45.144 45.100 0.026 0.000 0.894 515 G HN 0.672 nan 8.290 nan 0.000 0.562 516 G N -0.889 107.931 108.800 0.034 0.000 2.566 516 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.280 516 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.280 516 G C 1.109 176.036 174.900 0.046 0.000 1.225 516 G CA 1.398 46.521 45.100 0.037 0.000 0.966 516 G HN 1.574 nan 8.290 nan 0.000 0.560 517 R N 0.233 120.764 120.500 0.052 0.000 2.091 517 R HA 0.085 4.424 4.340 -0.001 0.000 0.238 517 R C 3.263 179.616 176.300 0.089 0.000 1.136 517 R CA 2.338 58.475 56.100 0.062 0.000 0.959 517 R CB -0.686 29.656 30.300 0.069 0.000 0.856 517 R HN 0.829 nan 8.270 nan 0.000 0.437 518 A N 1.472 124.355 122.820 0.104 0.000 1.917 518 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 518 A C 2.408 180.049 177.584 0.096 0.000 1.182 518 A CA 1.952 54.068 52.037 0.132 0.000 0.633 518 A CB -0.793 18.280 19.000 0.121 0.000 0.819 518 A HN 0.434 nan 8.150 nan 0.000 0.448 519 A N -1.452 121.408 122.820 0.067 0.000 1.968 519 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 519 A C 2.264 179.884 177.584 0.060 0.000 1.169 519 A CA 2.069 54.135 52.037 0.048 0.000 0.638 519 A CB -1.089 17.931 19.000 0.034 0.000 0.812 519 A HN 0.436 nan 8.150 nan 0.000 0.446 520 T N -0.520 114.078 114.554 0.073 0.000 2.708 520 T HA -0.201 4.149 4.350 -0.001 0.000 0.266 520 T C 1.922 176.679 174.700 0.095 0.000 1.037 520 T CA 1.625 63.791 62.100 0.110 0.000 1.146 520 T CB -0.719 68.166 68.868 0.029 0.000 0.865 520 T HN 0.584 nan 8.240 nan 0.000 0.435 521 C N 1.394 120.717 119.300 0.038 0.000 2.398 521 C HA -0.044 4.416 4.460 -0.001 0.000 0.276 521 C C 3.101 178.076 174.990 -0.024 0.000 1.222 521 C CA 0.636 59.627 59.018 -0.045 0.000 1.746 521 C CB -1.594 26.129 27.740 -0.029 0.000 2.039 521 C HN 0.740 nan 8.230 nan 0.000 0.470 522 G N 0.056 108.893 108.800 0.062 0.000 2.446 522 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.217 522 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.217 522 G C 1.615 176.555 174.900 0.067 0.000 1.168 522 G CA 1.306 46.477 45.100 0.119 0.000 0.771 522 G HN 0.660 nan 8.290 nan 0.000 0.551 523 K N -0.871 119.529 120.400 0.000 0.000 2.002 523 K HA -0.100 4.219 4.320 -0.001 0.000 0.209 523 K C 2.278 178.719 176.600 -0.264 0.000 1.048 523 K CA 1.347 57.564 56.287 -0.118 0.000 0.930 523 K CB -0.296 32.141 32.500 -0.104 0.000 0.714 523 K HN 0.398 nan 8.250 nan 0.000 0.438 524 Y N 0.840 120.933 120.300 -0.344 0.000 2.201 524 Y HA -0.013 4.536 4.550 -0.001 0.000 0.292 524 Y C 2.093 177.607 175.900 -0.642 0.000 1.119 524 Y CA 0.891 58.572 58.100 -0.697 0.000 1.127 524 Y CB -0.192 37.582 38.460 -1.144 0.000 1.019 524 Y HN -0.039 nan 8.280 nan 0.000 0.514 525 L N -1.617 119.384 121.223 -0.370 0.000 2.131 525 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 525 L C 0.872 177.458 176.870 -0.472 0.000 1.092 525 L CA 1.494 56.080 54.840 -0.424 0.000 0.759 525 L CB -0.428 41.170 42.059 -0.770 0.000 0.903 525 L HN 0.209 nan 8.230 nan 0.000 0.435 526 F N -1.889 118.008 119.950 -0.089 0.000 2.683 526 F HA 0.171 4.698 4.527 -0.001 0.000 0.306 526 F C 1.633 177.130 175.800 -0.504 0.000 1.102 526 F CA -0.407 57.364 58.000 -0.380 0.000 1.244 526 F CB -0.475 38.287 39.000 -0.397 0.000 1.029 526 F HN -0.083 nan 8.300 nan 0.000 0.545 527 N N 1.141 119.773 118.700 -0.113 0.000 2.348 527 N HA -0.206 4.533 4.740 -0.001 0.000 0.185 527 N C 1.911 177.401 175.510 -0.033 0.000 1.019 527 N CA 1.675 54.669 53.050 -0.094 0.000 0.880 527 N CB -0.198 38.242 38.487 -0.078 0.000 0.965 527 N HN 0.534 nan 8.380 nan 0.000 0.437 528 W N -0.797 120.545 121.300 0.071 0.000 2.525 528 W HA 0.193 4.853 4.660 -0.001 0.000 0.259 528 W C 1.265 177.840 176.519 0.093 0.000 1.253 528 W CA 0.592 57.989 57.345 0.087 0.000 1.262 528 W CB -0.817 28.709 29.460 0.111 0.000 1.122 528 W HN 0.047 nan 8.180 nan 0.000 0.607 529 A N 1.479 123.935 122.820 -0.607 0.000 2.123 529 A HA 0.202 4.522 4.320 -0.001 0.000 0.214 529 A C 1.050 178.483 177.584 -0.252 0.000 1.152 529 A CA 1.125 52.768 52.037 -0.657 0.000 0.728 529 A CB -0.761 17.628 19.000 -1.017 0.000 0.814 529 A HN 0.120 nan 8.150 nan 0.000 0.464 530 V N -4.928 114.880 119.914 -0.177 0.000 2.769 530 V HA 0.827 4.946 4.120 -0.001 0.000 0.312 530 V C 1.050 177.112 176.094 -0.053 0.000 1.058 530 V CA -0.211 62.022 62.300 -0.113 0.000 0.952 530 V CB 1.015 32.763 31.823 -0.125 0.000 1.019 530 V HN 0.258 nan 8.190 nan 0.000 0.445 531 K N 1.359 121.734 120.400 -0.043 0.000 2.103 531 K HA 0.240 4.560 4.320 -0.001 0.000 0.204 531 K C 1.334 177.914 176.600 -0.033 0.000 1.052 531 K CA 1.631 57.903 56.287 -0.026 0.000 0.945 531 K CB -1.247 31.240 32.500 -0.022 0.000 0.722 531 K HN 1.493 nan 8.250 nan 0.000 0.443 532 T N 2.197 116.725 114.554 -0.044 0.000 3.176 532 T HA 0.486 4.835 4.350 -0.001 0.000 0.301 532 T C -0.064 174.603 174.700 -0.055 0.000 1.115 532 T CA -0.427 61.646 62.100 -0.046 0.000 1.027 532 T CB -0.504 68.335 68.868 -0.047 0.000 1.063 532 T HN 0.332 nan 8.240 nan 0.000 0.669 533 K N 2.700 123.071 120.400 -0.048 0.000 2.322 533 K HA 0.499 4.819 4.320 -0.001 0.000 0.283 533 K C 0.274 176.834 176.600 -0.067 0.000 1.042 533 K CA -0.335 55.919 56.287 -0.054 0.000 0.958 533 K CB 1.009 33.489 32.500 -0.033 0.000 0.984 533 K HN 0.544 nan 8.250 nan 0.000 0.473 534 L N 2.308 123.474 121.223 -0.095 0.000 2.472 534 L HA 0.183 4.523 4.340 -0.001 0.000 0.260 534 L C 0.510 177.308 176.870 -0.119 0.000 1.209 534 L CA -0.267 54.505 54.840 -0.115 0.000 0.817 534 L CB 0.369 42.333 42.059 -0.159 0.000 1.106 534 L HN 0.518 nan 8.230 nan 0.000 0.479 535 K N 1.992 122.326 120.400 -0.111 0.000 2.267 535 K HA 0.381 4.700 4.320 -0.001 0.000 0.282 535 K C -1.011 175.508 176.600 -0.135 0.000 1.078 535 K CA -0.323 55.912 56.287 -0.087 0.000 0.903 535 K CB 0.374 32.845 32.500 -0.048 0.000 1.111 535 K HN 0.405 nan 8.250 nan 0.000 0.475 536 L N 5.065 126.208 121.223 -0.133 0.000 2.255 536 L HA 0.280 4.620 4.340 -0.001 0.000 0.289 536 L C 0.388 177.306 176.870 0.079 0.000 1.046 536 L CA -0.653 54.075 54.840 -0.186 0.000 0.816 536 L CB 1.054 42.986 42.059 -0.211 0.000 1.197 536 L HN 0.714 nan 8.230 nan 0.000 0.427 537 T N 0.660 115.323 114.554 0.181 0.000 2.940 537 T HA 0.540 4.890 4.350 -0.001 0.000 0.288 537 T C -2.613 172.238 174.700 0.252 0.000 1.033 537 T CA -2.523 59.688 62.100 0.186 0.000 1.033 537 T CB 1.585 70.525 68.868 0.120 0.000 1.079 537 T HN 0.167 nan 8.240 nan 0.000 0.496 538 P HA 0.088 nan 4.420 nan 0.000 0.259 538 P C -0.585 176.749 177.300 0.056 0.000 1.163 538 P CA 0.291 63.450 63.100 0.098 0.000 0.760 538 P CB 0.002 31.738 31.700 0.060 0.000 0.762 539 I N 6.827 127.387 120.570 -0.017 0.000 2.312 539 I HA 0.139 4.308 4.170 -0.001 0.000 0.291 539 I C -1.261 174.827 176.117 -0.048 0.000 1.031 539 I CA -1.994 59.255 61.300 -0.085 0.000 1.293 539 I CB 1.367 39.221 38.000 -0.243 0.000 1.403 539 I HN 0.301 nan 8.210 nan 0.000 0.484 540 P HA -0.160 nan 4.420 nan 0.000 0.218 540 P C 1.439 178.721 177.300 -0.031 0.000 1.149 540 P CA 0.897 63.985 63.100 -0.020 0.000 0.817 540 P CB 0.264 31.959 31.700 -0.009 0.000 0.785 541 A N 0.071 122.867 122.820 -0.040 0.000 2.019 541 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 541 A C 2.285 179.836 177.584 -0.055 0.000 1.164 541 A CA 1.836 53.848 52.037 -0.042 0.000 0.644 541 A CB -1.457 17.519 19.000 -0.040 0.000 0.805 541 A HN 0.209 nan 8.150 nan 0.000 0.449 542 A N 0.470 123.251 122.820 -0.064 0.000 1.902 542 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 542 A C 2.430 179.969 177.584 -0.076 0.000 1.181 542 A CA 2.191 54.184 52.037 -0.074 0.000 0.623 542 A CB -0.963 17.998 19.000 -0.065 0.000 0.818 542 A HN 1.066 nan 8.150 nan 0.000 0.443 543 S N -1.034 114.632 115.700 -0.056 0.000 2.555 543 S HA -0.034 4.435 4.470 -0.001 0.000 0.230 543 S C 1.489 176.056 174.600 -0.054 0.000 0.978 543 S CA 0.842 59.011 58.200 -0.052 0.000 0.934 543 S CB -0.239 62.940 63.200 -0.035 0.000 0.766 543 S HN 0.385 nan 8.310 nan 0.000 0.533 544 R N 0.047 120.514 120.500 -0.055 0.000 2.334 544 R HA 0.466 4.805 4.340 -0.001 0.000 0.216 544 R C 0.430 176.690 176.300 -0.066 0.000 0.905 544 R CA -0.105 55.965 56.100 -0.050 0.000 1.064 544 R CB -0.898 29.380 30.300 -0.037 0.000 1.046 544 R HN 0.541 nan 8.270 nan 0.000 0.508 545 L N 2.067 123.232 121.223 -0.096 0.000 2.367 545 L HA 0.224 4.564 4.340 -0.001 0.000 0.275 545 L C 0.370 177.149 176.870 -0.152 0.000 1.129 545 L CA -0.226 54.534 54.840 -0.134 0.000 0.839 545 L CB 0.628 42.569 42.059 -0.197 0.000 1.133 545 L HN 0.044 nan 8.230 nan 0.000 0.453 546 D N 4.161 124.486 120.400 -0.125 0.000 2.551 546 D HA 0.101 4.740 4.640 -0.001 0.000 0.223 546 D C 0.185 176.385 176.300 -0.166 0.000 1.144 546 D CA -0.177 53.762 54.000 -0.101 0.000 1.025 546 D CB 0.540 41.317 40.800 -0.038 0.000 1.085 546 D HN 0.199 nan 8.370 nan 0.000 0.506 547 L N 2.264 123.309 121.223 -0.298 0.000 2.851 547 L HA 0.137 4.476 4.340 -0.001 0.000 0.237 547 L C 0.650 177.405 176.870 -0.192 0.000 1.257 547 L CA -0.144 54.344 54.840 -0.587 0.000 1.061 547 L CB -0.808 40.750 42.059 -0.834 0.000 1.372 547 L HN 0.164 nan 8.230 nan 0.000 0.493 548 S N -1.684 114.000 115.700 -0.026 0.000 2.576 548 S HA 0.521 4.991 4.470 -0.001 0.000 0.276 548 S C 1.448 176.127 174.600 0.131 0.000 1.339 548 S CA -0.022 58.208 58.200 0.050 0.000 1.039 548 S CB 1.210 64.421 63.200 0.017 0.000 0.902 548 S HN 0.573 nan 8.310 nan 0.000 0.516 549 G N 1.366 110.227 108.800 0.102 0.000 2.245 549 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.264 549 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.264 549 G C 0.613 175.617 174.900 0.173 0.000 0.985 549 G CA 0.466 45.592 45.100 0.043 0.000 0.625 549 G HN 0.731 nan 8.290 nan 0.000 0.536 550 W N 0.181 121.418 121.300 -0.106 0.000 2.332 550 W HA 0.281 4.941 4.660 -0.001 0.000 0.321 550 W C 1.321 177.497 176.519 -0.572 0.000 1.219 550 W CA 1.816 58.918 57.345 -0.405 0.000 1.277 550 W CB -0.451 28.643 29.460 -0.611 0.000 1.161 550 W HN 0.224 nan 8.180 nan 0.000 0.476 551 F N -0.841 119.293 119.950 0.308 0.000 2.449 551 F HA 0.319 4.845 4.527 -0.001 0.000 0.329 551 F C 0.444 176.387 175.800 0.239 0.000 1.245 551 F CA -0.468 57.712 58.000 0.301 0.000 1.193 551 F CB 0.053 39.198 39.000 0.242 0.000 1.425 551 F HN -0.390 nan 8.300 nan 0.000 0.544 552 V N 0.298 120.420 119.914 0.347 0.000 2.854 552 V HA 0.602 4.722 4.120 -0.001 0.000 0.236 552 V C 0.854 177.086 176.094 0.230 0.000 1.157 552 V CA 0.653 63.097 62.300 0.241 0.000 1.187 552 V CB 0.548 32.488 31.823 0.196 0.000 0.949 552 V HN 0.481 nan 8.190 nan 0.000 0.488 553 A N -0.792 122.134 122.820 0.176 0.000 2.602 553 A HA 0.787 5.107 4.320 -0.001 0.000 0.290 553 A C -0.361 176.887 177.584 -0.560 0.000 1.114 553 A CA 0.091 52.063 52.037 -0.109 0.000 0.683 553 A CB 1.212 19.998 19.000 -0.357 0.000 1.281 553 A HN 0.409 nan 8.150 nan 0.000 0.416 554 G N -1.228 106.952 108.800 -1.034 0.000 2.371 554 G HA2 0.558 4.518 3.960 -0.001 0.000 0.326 554 G HA3 0.558 4.518 3.960 -0.001 0.000 0.326 554 G C -0.960 173.288 174.900 -1.086 0.000 1.127 554 G CA -0.145 44.011 45.100 -1.574 0.000 0.885 554 G HN 0.608 nan 8.290 nan 0.000 0.477 555 Y N 0.872 120.953 120.300 -0.365 0.000 2.768 555 Y HA 0.311 4.861 4.550 -0.001 0.000 0.249 555 Y C 1.338 177.153 175.900 -0.142 0.000 1.146 555 Y CA -0.763 57.223 58.100 -0.191 0.000 1.171 555 Y CB 0.589 38.957 38.460 -0.152 0.000 1.249 555 Y HN 0.495 nan 8.280 nan 0.000 0.567 556 S N 0.699 116.366 115.700 -0.055 0.000 2.544 556 S HA 0.324 4.793 4.470 -0.001 0.000 0.290 556 S C 1.437 176.056 174.600 0.032 0.000 1.276 556 S CA 1.487 59.686 58.200 -0.000 0.000 1.075 556 S CB 0.087 63.293 63.200 0.011 0.000 0.849 556 S HN 1.029 nan 8.310 nan 0.000 0.494 557 G N 3.514 112.335 108.800 0.035 0.000 2.205 557 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.261 557 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.261 557 G C 0.843 175.776 174.900 0.054 0.000 0.980 557 G CA 0.431 45.560 45.100 0.049 0.000 0.632 557 G HN 1.296 nan 8.290 nan 0.000 0.533 558 G N -0.167 108.667 108.800 0.056 0.000 2.985 558 G HA2 0.385 4.345 3.960 -0.001 0.000 0.209 558 G HA3 0.385 4.345 3.960 -0.001 0.000 0.209 558 G C 0.491 175.417 174.900 0.042 0.000 1.165 558 G CA 1.166 46.317 45.100 0.085 0.000 0.776 558 G HN 1.275 nan 8.290 nan 0.000 0.541 559 D N -0.542 119.848 120.400 -0.017 0.000 2.716 559 D HA -0.160 4.479 4.640 -0.001 0.000 0.239 559 D C -0.165 176.073 176.300 -0.103 0.000 1.125 559 D CA 0.320 54.285 54.000 -0.059 0.000 0.681 559 D CB -1.214 39.568 40.800 -0.030 0.000 1.070 559 D HN 0.121 nan 8.370 nan 0.000 0.432 560 I N 1.382 121.846 120.570 -0.177 0.000 2.378 560 I HA 0.330 4.500 4.170 -0.001 0.000 0.291 560 I C -0.140 175.730 176.117 -0.412 0.000 0.992 560 I CA -0.758 60.329 61.300 -0.355 0.000 1.154 560 I CB 1.112 38.729 38.000 -0.638 0.000 1.315 560 I HN 0.084 nan 8.210 nan 0.000 0.448 561 Y N 5.609 125.599 120.300 -0.517 0.000 2.326 561 Y HA 0.381 4.930 4.550 -0.001 0.000 0.331 561 Y C 0.130 175.757 175.900 -0.456 0.000 0.962 561 Y CA -0.452 57.361 58.100 -0.479 0.000 1.167 561 Y CB 1.011 39.294 38.460 -0.295 0.000 1.148 561 Y HN 0.561 nan 8.280 nan 0.000 0.463 562 H N 2.939 121.436 119.070 -0.954 0.000 2.503 562 H HA 0.397 4.952 4.556 -0.001 0.000 0.296 562 H C -0.135 174.804 175.328 -0.648 0.000 1.097 562 H CA -0.324 55.281 56.048 -0.738 0.000 1.055 562 H CB 0.660 29.968 29.762 -0.756 0.000 1.580 562 H HN 0.454 nan 8.280 nan 0.000 0.546 563 S N 0.000 115.160 115.700 -0.900 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 563 S CA 0.000 57.886 58.200 -0.523 0.000 1.107 563 S CB 0.000 62.847 63.200 -0.588 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517