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 1jmx_1_A DATA FIRST_RESID 2 DATA SEQUENCE EQGPSLLQNK CMGCHIPEGN DTYSRISHQR KTPEGWLMSI ARMQVMHGLQ DATA SEQUENCE ISDDDRRTLV KYLADKQGLA PSETDGVRYA MERRLNTVEQ FDTQLSETCG DATA SEQUENCE RCHSGARVAL QRRPAKEWEH LVNFHLGQWP SLEYQAQARD RDWLPIALQQ DATA SEQUENCE VVPDLAKRYP LESAAWAEWQ KARPKADALP GQWAFSGHML AKGDVRGVMS DATA SEQUENCE VTPDQGDTFK VEVKGAYADG TPFNGSGSAI LYNGYEWRGN VKVGDANLRQ DATA SEQUENCE VFAALDGEMK GRMFEAEHDE RGLDFTAVKE GKARLLAVQP AFIKAGGESE DATA SEQUENCE ITLVGSGLAG KPDLGAGVEV TEVLEQTPTL VRLKARAAAD AKPGQREVAV DATA SEQUENCE GTLKGVNLAV YDKVEEVKVV PAFSIARIGE NGASVPKVQG RFEAEAWGKD DATA SEQUENCE ANGQPLRIGY LPASWKVEPF NERAVEDEDV KFAGKMQADG VFVPGGAGPN DATA SEQUENCE PERKMMTNNA GNLKVIATLA DGGQTGEGHM IVTVQRWNNP PLP 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.549 176.600 -0.084 0.000 1.382 2 E CA 0.000 56.359 56.400 -0.068 0.000 0.976 2 E CB 0.000 29.654 29.700 -0.076 0.000 0.812 3 Q N 0.355 120.093 119.800 -0.103 0.000 2.260 3 Q HA 0.302 4.642 4.340 -0.000 0.000 0.242 3 Q C 1.030 176.885 176.000 -0.242 0.000 0.932 3 Q CA 0.549 56.271 55.803 -0.134 0.000 0.891 3 Q CB 1.161 29.830 28.738 -0.115 0.000 1.222 3 Q HN 0.834 nan 8.270 nan 0.000 0.453 4 G N 2.625 111.199 108.800 -0.375 0.000 2.491 4 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 4 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 4 G C -0.963 173.400 174.900 -0.894 0.000 1.180 4 G CA 0.649 45.271 45.100 -0.797 0.000 0.774 4 G HN 0.540 nan 8.290 nan 0.000 0.562 5 P HA -0.152 nan 4.420 nan 0.000 0.216 5 P C 2.227 179.411 177.300 -0.193 0.000 1.150 5 P CA 2.325 65.193 63.100 -0.388 0.000 0.837 5 P CB -0.213 31.368 31.700 -0.199 0.000 0.786 6 S N -0.547 115.046 115.700 -0.178 0.000 2.387 6 S HA -0.056 4.414 4.470 -0.000 0.000 0.226 6 S C 2.202 176.725 174.600 -0.127 0.000 1.026 6 S CA 0.509 58.643 58.200 -0.111 0.000 0.972 6 S CB -1.408 61.739 63.200 -0.089 0.000 0.814 6 S HN 0.033 nan 8.310 nan 0.000 0.477 7 L N 0.569 121.691 121.223 -0.168 0.000 2.093 7 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 7 L C 2.682 179.442 176.870 -0.183 0.000 1.085 7 L CA 0.914 55.661 54.840 -0.155 0.000 0.755 7 L CB -0.440 41.527 42.059 -0.153 0.000 0.904 7 L HN 0.361 nan 8.230 nan 0.000 0.435 8 L N -0.529 120.555 121.223 -0.231 0.000 2.042 8 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 8 L C 2.762 179.374 176.870 -0.430 0.000 1.076 8 L CA 1.549 56.215 54.840 -0.291 0.000 0.749 8 L CB -0.348 41.589 42.059 -0.203 0.000 0.893 8 L HN 0.447 nan 8.230 nan 0.000 0.432 9 Q N -0.108 119.523 119.800 -0.281 0.000 2.049 9 Q HA -0.182 4.158 4.340 -0.000 0.000 0.198 9 Q C 1.850 177.757 176.000 -0.155 0.000 0.971 9 Q CA 1.453 57.123 55.803 -0.222 0.000 0.833 9 Q CB 0.038 28.791 28.738 0.026 0.000 0.896 9 Q HN 0.482 nan 8.270 nan 0.000 0.434 10 N N 0.501 119.133 118.700 -0.112 0.000 2.223 10 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 10 N C 1.279 176.738 175.510 -0.084 0.000 1.016 10 N CA 1.145 54.147 53.050 -0.080 0.000 0.863 10 N CB 0.065 38.511 38.487 -0.069 0.000 0.983 10 N HN 0.179 nan 8.380 nan 0.000 0.429 11 K N -0.994 119.339 120.400 -0.112 0.000 2.370 11 K HA 0.263 4.583 4.320 -0.000 0.000 0.194 11 K C 1.329 177.876 176.600 -0.087 0.000 1.070 11 K CA 0.230 56.464 56.287 -0.089 0.000 0.998 11 K CB 0.439 32.889 32.500 -0.083 0.000 0.911 11 K HN 0.224 nan 8.250 nan 0.000 0.533 12 C N 0.528 119.736 119.300 -0.155 0.000 2.689 12 C HA 0.313 4.773 4.460 -0.000 0.000 0.336 12 C C 1.501 176.450 174.990 -0.069 0.000 1.304 12 C CA -0.678 58.274 59.018 -0.110 0.000 1.860 12 C CB -0.042 27.541 27.740 -0.262 0.000 2.405 12 C HN 0.368 nan 8.230 nan 0.000 0.557 13 M N 1.587 121.079 119.600 -0.179 0.000 2.245 13 M HA 0.338 4.818 4.480 -0.000 0.000 0.312 13 M C 1.364 177.655 176.300 -0.015 0.000 1.070 13 M CA 2.172 57.435 55.300 -0.062 0.000 1.162 13 M CB 0.421 33.000 32.600 -0.034 0.000 1.448 13 M HN 0.673 nan 8.290 nan 0.000 0.446 14 G N 2.087 110.892 108.800 0.009 0.000 2.399 14 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.216 14 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.216 14 G C 0.617 175.488 174.900 -0.049 0.000 1.096 14 G CA 0.226 45.317 45.100 -0.016 0.000 0.650 14 G HN 0.727 nan 8.290 nan 0.000 0.512 15 C N 0.989 120.241 119.300 -0.080 0.000 2.800 15 C HA 0.471 4.931 4.460 -0.000 0.000 0.379 15 C C 0.698 175.484 174.990 -0.339 0.000 1.304 15 C CA 0.002 58.890 59.018 -0.216 0.000 1.960 15 C CB -0.260 27.322 27.740 -0.264 0.000 2.599 15 C HN 0.567 nan 8.230 nan 0.000 0.578 16 H N 1.404 120.460 119.070 -0.023 0.000 2.476 16 H HA 0.442 4.998 4.556 -0.000 0.000 0.328 16 H C -0.352 175.054 175.328 0.130 0.000 1.073 16 H CA -0.214 55.858 56.048 0.040 0.000 1.229 16 H CB 1.352 31.132 29.762 0.031 0.000 1.432 16 H HN 0.395 nan 8.280 nan 0.000 0.477 17 I N 2.242 122.949 120.570 0.228 0.000 2.441 17 I HA 0.333 4.502 4.170 -0.000 0.000 0.287 17 I C -2.682 173.589 176.117 0.255 0.000 1.049 17 I CA -1.953 59.466 61.300 0.199 0.000 1.381 17 I CB 1.032 39.090 38.000 0.096 0.000 1.409 17 I HN 0.170 nan 8.210 nan 0.000 0.523 18 P HA 0.162 nan 4.420 nan 0.000 0.271 18 P C -0.700 176.552 177.300 -0.080 0.000 1.220 18 P CA 0.091 63.164 63.100 -0.045 0.000 0.768 18 P CB 0.568 32.288 31.700 0.034 0.000 0.848 19 E N 1.541 121.635 120.200 -0.177 0.000 2.562 19 E HA 0.365 4.715 4.350 -0.000 0.000 0.214 19 E C 0.413 176.960 176.600 -0.088 0.000 0.979 19 E CA -0.291 56.068 56.400 -0.069 0.000 1.002 19 E CB 0.493 30.198 29.700 0.009 0.000 1.048 19 E HN 0.670 nan 8.360 nan 0.000 0.488 20 G N 2.452 111.160 108.800 -0.154 0.000 2.465 20 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.681 20 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.681 20 G C -0.740 174.078 174.900 -0.136 0.000 1.340 20 G CA -0.680 44.355 45.100 -0.109 0.000 0.884 20 G HN 0.319 nan 8.290 nan 0.000 0.650 21 N N 0.906 119.554 118.700 -0.087 0.000 2.903 21 N HA -0.240 4.500 4.740 -0.000 0.000 0.296 21 N C 0.013 175.477 175.510 -0.076 0.000 1.037 21 N CA 1.099 54.111 53.050 -0.063 0.000 0.841 21 N CB -0.570 37.899 38.487 -0.029 0.000 0.958 21 N HN 1.008 nan 8.380 nan 0.000 0.605 22 D N -2.186 118.144 120.400 -0.117 0.000 3.012 22 D HA -0.158 4.481 4.640 -0.000 0.000 0.222 22 D C 0.244 176.448 176.300 -0.159 0.000 1.167 22 D CA 1.855 55.813 54.000 -0.070 0.000 0.854 22 D CB -1.695 39.148 40.800 0.072 0.000 1.107 22 D HN 0.877 nan 8.370 nan 0.000 0.421 23 T N -2.215 112.105 114.554 -0.391 0.000 2.859 23 T HA 0.671 5.021 4.350 -0.000 0.000 0.281 23 T C -0.348 173.969 174.700 -0.639 0.000 1.005 23 T CA -0.611 61.300 62.100 -0.315 0.000 1.025 23 T CB 2.029 70.796 68.868 -0.168 0.000 0.977 23 T HN 0.046 nan 8.240 nan 0.000 0.458 24 Y N 0.334 120.654 120.300 0.032 0.000 2.605 24 Y HA 0.558 5.108 4.550 -0.000 0.000 0.343 24 Y C 0.804 176.823 175.900 0.199 0.000 1.036 24 Y CA -1.193 56.963 58.100 0.094 0.000 1.065 24 Y CB 1.879 40.373 38.460 0.056 0.000 1.288 24 Y HN 0.954 nan 8.280 nan 0.000 0.481 25 S N 2.387 118.323 115.700 0.393 0.000 2.560 25 S HA 0.283 4.753 4.470 -0.000 0.000 0.284 25 S C 0.608 175.462 174.600 0.422 0.000 1.327 25 S CA -0.306 58.117 58.200 0.372 0.000 1.055 25 S CB 0.860 64.192 63.200 0.220 0.000 0.868 25 S HN 0.830 nan 8.310 nan 0.000 0.506 26 R N 0.765 121.522 120.500 0.429 0.000 1.242 26 R HA -0.238 4.102 4.340 -0.000 0.000 0.031 26 R C 1.556 178.047 176.300 0.317 0.000 0.958 26 R CA 2.175 58.476 56.100 0.335 0.000 1.982 26 R CB -2.647 27.809 30.300 0.259 0.000 0.179 26 R HN 0.754 nan 8.270 nan 0.000 0.729 27 I N 1.570 122.246 120.570 0.177 0.000 2.145 27 I HA -0.241 3.929 4.170 -0.000 0.000 0.244 27 I C 1.561 177.750 176.117 0.121 0.000 1.075 27 I CA 2.286 63.659 61.300 0.122 0.000 1.332 27 I CB -0.342 37.643 38.000 -0.024 0.000 1.033 27 I HN 0.157 nan 8.210 nan 0.000 0.410 28 S N -0.673 115.001 115.700 -0.045 0.000 2.710 28 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 28 S C 0.647 174.918 174.600 -0.548 0.000 0.948 28 S CA 0.028 58.055 58.200 -0.288 0.000 0.949 28 S CB -0.339 62.647 63.200 -0.357 0.000 0.778 28 S HN 0.437 nan 8.310 nan 0.000 0.498 29 H N 0.720 119.850 119.070 0.100 0.000 2.649 29 H HA 0.373 4.929 4.556 -0.000 0.000 0.258 29 H C -0.248 175.081 175.328 0.002 0.000 1.165 29 H CA -0.165 55.918 56.048 0.057 0.000 1.006 29 H CB 0.429 30.224 29.762 0.055 0.000 1.743 29 H HN 0.407 nan 8.280 nan 0.000 0.609 30 Q N 0.886 120.735 119.800 0.083 0.000 2.379 30 Q HA 0.537 4.877 4.340 -0.000 0.000 0.278 30 Q C -0.601 175.403 176.000 0.008 0.000 1.068 30 Q CA -0.709 55.064 55.803 -0.049 0.000 0.816 30 Q CB 3.106 31.758 28.738 -0.144 0.000 1.387 30 Q HN 0.142 nan 8.270 nan 0.000 0.413 31 R N 1.435 121.838 120.500 -0.161 0.000 2.561 31 R HA 0.589 4.929 4.340 -0.000 0.000 0.297 31 R C -0.948 175.146 176.300 -0.344 0.000 0.969 31 R CA -0.608 55.394 56.100 -0.162 0.000 0.879 31 R CB 1.913 32.013 30.300 -0.334 0.000 1.178 31 R HN 0.494 nan 8.270 nan 0.000 0.445 32 K N 0.155 120.311 120.400 -0.407 0.000 2.469 32 K HA 0.369 4.689 4.320 -0.000 0.000 0.268 32 K C -0.318 176.088 176.600 -0.324 0.000 1.027 32 K CA -0.977 54.968 56.287 -0.570 0.000 0.893 32 K CB 1.530 33.377 32.500 -1.088 0.000 1.460 32 K HN 0.590 nan 8.250 nan 0.000 0.449 33 T N -2.228 112.152 114.554 -0.290 0.000 2.788 33 T HA 0.169 4.519 4.350 -0.000 0.000 0.287 33 T C -2.000 172.613 174.700 -0.144 0.000 1.007 33 T CA -1.415 60.582 62.100 -0.171 0.000 1.005 33 T CB 0.725 69.493 68.868 -0.168 0.000 1.012 33 T HN 0.148 nan 8.240 nan 0.000 0.530 34 P HA -0.126 nan 4.420 nan 0.000 0.215 34 P C 1.590 178.764 177.300 -0.209 0.000 1.153 34 P CA 1.034 63.933 63.100 -0.335 0.000 0.853 34 P CB 0.025 31.245 31.700 -0.800 0.000 0.788 35 E N -0.805 119.285 120.200 -0.183 0.000 2.274 35 E HA -0.025 4.324 4.350 -0.000 0.000 0.194 35 E C 2.195 178.717 176.600 -0.131 0.000 0.996 35 E CA 1.354 57.679 56.400 -0.126 0.000 0.840 35 E CB -1.475 28.167 29.700 -0.097 0.000 0.772 35 E HN 0.234 nan 8.360 nan 0.000 0.491 36 G N 0.763 109.443 108.800 -0.199 0.000 2.394 36 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.214 36 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.214 36 G C 1.276 175.996 174.900 -0.301 0.000 1.176 36 G CA 0.395 45.317 45.100 -0.297 0.000 0.786 36 G HN 0.283 nan 8.290 nan 0.000 0.533 37 W N 0.165 121.375 121.300 -0.149 0.000 2.358 37 W HA 0.022 4.682 4.660 -0.000 0.000 0.303 37 W C 2.424 178.878 176.519 -0.109 0.000 1.208 37 W CA 0.390 57.656 57.345 -0.131 0.000 1.274 37 W CB -0.312 29.064 29.460 -0.140 0.000 1.138 37 W HN 0.206 nan 8.180 nan 0.000 0.515 38 L N 0.208 121.491 121.223 0.099 0.000 2.083 38 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 38 L C 2.138 179.017 176.870 0.015 0.000 1.083 38 L CA 1.945 56.809 54.840 0.040 0.000 0.752 38 L CB -0.743 41.313 42.059 -0.006 0.000 0.899 38 L HN 0.028 nan 8.230 nan 0.000 0.433 39 M N -1.510 118.075 119.600 -0.024 0.000 2.175 39 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 39 M C 2.236 178.517 176.300 -0.032 0.000 1.063 39 M CA 1.670 56.947 55.300 -0.038 0.000 1.119 39 M CB -0.211 32.343 32.600 -0.076 0.000 1.377 39 M HN 0.279 nan 8.290 nan 0.000 0.415 40 S N 0.721 116.398 115.700 -0.038 0.000 2.368 40 S HA -0.042 4.428 4.470 -0.000 0.000 0.224 40 S C 1.755 176.371 174.600 0.026 0.000 1.029 40 S CA 1.061 59.244 58.200 -0.028 0.000 0.988 40 S CB -0.295 62.889 63.200 -0.026 0.000 0.838 40 S HN 0.388 nan 8.310 nan 0.000 0.462 41 I N 1.698 122.306 120.570 0.063 0.000 2.315 41 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 41 I C 2.637 178.772 176.117 0.030 0.000 1.117 41 I CA 1.008 62.340 61.300 0.053 0.000 1.404 41 I CB -0.441 37.592 38.000 0.055 0.000 1.071 41 I HN 0.250 nan 8.210 nan 0.000 0.419 42 A N 0.829 123.661 122.820 0.020 0.000 1.972 42 A HA -0.170 4.149 4.320 -0.000 0.000 0.219 42 A C 2.398 179.985 177.584 0.005 0.000 1.169 42 A CA 1.278 53.322 52.037 0.012 0.000 0.635 42 A CB -0.487 18.519 19.000 0.010 0.000 0.810 42 A HN 0.311 nan 8.150 nan 0.000 0.446 43 R N -1.176 119.324 120.500 0.000 0.000 2.115 43 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 43 R C 1.960 178.230 176.300 -0.051 0.000 1.111 43 R CA 1.341 57.427 56.100 -0.022 0.000 0.976 43 R CB -0.333 29.945 30.300 -0.037 0.000 0.870 43 R HN 0.428 nan 8.270 nan 0.000 0.445 44 M N 0.706 120.319 119.600 0.021 0.000 2.159 44 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 44 M C 1.960 178.285 176.300 0.042 0.000 1.063 44 M CA 1.708 57.064 55.300 0.093 0.000 1.110 44 M CB -0.741 31.927 32.600 0.113 0.000 1.374 44 M HN 0.170 nan 8.290 nan 0.000 0.411 45 Q N -0.713 119.094 119.800 0.012 0.000 2.062 45 Q HA -0.055 4.284 4.340 -0.000 0.000 0.196 45 Q C 2.311 178.301 176.000 -0.017 0.000 0.967 45 Q CA 1.138 56.944 55.803 0.004 0.000 0.832 45 Q CB -0.116 28.625 28.738 0.004 0.000 0.899 45 Q HN 0.289 nan 8.270 nan 0.000 0.442 46 V N 0.638 120.534 119.914 -0.030 0.000 2.323 46 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 46 V C 2.034 178.078 176.094 -0.083 0.000 1.041 46 V CA 1.723 64.001 62.300 -0.036 0.000 1.025 46 V CB -0.277 31.540 31.823 -0.010 0.000 0.656 46 V HN 0.384 nan 8.190 nan 0.000 0.451 47 M N -1.228 118.260 119.600 -0.186 0.000 2.325 47 M HA 0.060 4.540 4.480 -0.000 0.000 0.265 47 M C 1.622 177.678 176.300 -0.407 0.000 1.094 47 M CA 1.158 56.241 55.300 -0.363 0.000 1.161 47 M CB -0.100 32.133 32.600 -0.611 0.000 1.358 47 M HN 0.359 nan 8.290 nan 0.000 0.446 48 H N -0.644 118.426 119.070 0.000 0.000 2.542 48 H HA 0.365 4.921 4.556 -0.000 0.000 0.283 48 H C 1.235 176.556 175.328 -0.011 0.000 1.059 48 H CA 0.546 56.588 56.048 -0.011 0.000 1.162 48 H CB 0.140 29.892 29.762 -0.017 0.000 1.539 48 H HN 0.544 nan 8.280 nan 0.000 0.543 49 G N 1.375 110.207 108.800 0.054 0.000 2.155 49 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 49 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 49 G C 0.367 175.286 174.900 0.031 0.000 0.983 49 G CA 0.222 45.342 45.100 0.033 0.000 0.676 49 G HN 0.434 nan 8.290 nan 0.000 0.528 50 L N 0.427 121.676 121.223 0.044 0.000 2.540 50 L HA 0.172 4.512 4.340 -0.000 0.000 0.276 50 L C 0.013 176.890 176.870 0.011 0.000 1.212 50 L CA 0.376 55.234 54.840 0.030 0.000 0.893 50 L CB 0.473 42.556 42.059 0.040 0.000 1.138 50 L HN 0.197 nan 8.230 nan 0.000 0.491 51 Q N 6.883 126.684 119.800 0.002 0.000 2.340 51 Q HA 0.498 4.838 4.340 -0.000 0.000 0.259 51 Q C -0.788 175.206 176.000 -0.011 0.000 0.964 51 Q CA -0.087 55.713 55.803 -0.005 0.000 0.900 51 Q CB 2.332 31.066 28.738 -0.008 0.000 1.228 51 Q HN 0.648 nan 8.270 nan 0.000 0.449 52 I N 1.001 121.565 120.570 -0.011 0.000 2.710 52 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 52 I C -0.342 175.766 176.117 -0.014 0.000 1.318 52 I CA -0.332 60.958 61.300 -0.016 0.000 1.045 52 I CB 1.823 39.813 38.000 -0.017 0.000 1.307 52 I HN 0.625 nan 8.210 nan 0.000 0.424 53 S N 4.062 119.752 115.700 -0.018 0.000 2.600 53 S HA 0.219 4.689 4.470 -0.000 0.000 0.265 53 S C 0.560 175.150 174.600 -0.016 0.000 1.325 53 S CA -0.387 57.803 58.200 -0.017 0.000 1.002 53 S CB 1.103 64.291 63.200 -0.020 0.000 0.921 53 S HN 0.657 nan 8.310 nan 0.000 0.554 54 D N 0.938 121.330 120.400 -0.014 0.000 2.144 54 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 54 D C 1.236 177.528 176.300 -0.015 0.000 0.984 54 D CA 1.363 55.355 54.000 -0.013 0.000 0.834 54 D CB -0.499 40.293 40.800 -0.014 0.000 0.955 54 D HN 0.627 nan 8.370 nan 0.000 0.465 55 D N 0.727 121.115 120.400 -0.019 0.000 2.084 55 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 55 D C 1.538 177.824 176.300 -0.023 0.000 0.990 55 D CA 0.968 54.955 54.000 -0.023 0.000 0.826 55 D CB -0.196 40.588 40.800 -0.027 0.000 0.971 55 D HN 0.083 nan 8.370 nan 0.000 0.453 56 D N -0.316 120.068 120.400 -0.026 0.000 2.178 56 D HA -0.098 4.542 4.640 -0.000 0.000 0.202 56 D C 1.962 178.246 176.300 -0.027 0.000 0.974 56 D CA 0.464 54.445 54.000 -0.033 0.000 0.841 56 D CB -0.103 40.673 40.800 -0.039 0.000 0.953 56 D HN 0.137 nan 8.370 nan 0.000 0.478 57 R N 0.653 121.142 120.500 -0.017 0.000 2.075 57 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 57 R C 2.201 178.503 176.300 0.004 0.000 1.126 57 R CA 0.831 56.926 56.100 -0.008 0.000 0.963 57 R CB 0.130 30.428 30.300 -0.002 0.000 0.858 57 R HN 0.024 nan 8.270 nan 0.000 0.435 58 R N -0.650 119.854 120.500 0.006 0.000 2.096 58 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 58 R C 2.088 178.410 176.300 0.037 0.000 1.127 58 R CA 1.964 58.080 56.100 0.026 0.000 0.968 58 R CB -0.223 30.085 30.300 0.012 0.000 0.861 58 R HN 0.295 nan 8.270 nan 0.000 0.440 59 T N 1.406 115.966 114.554 0.009 0.000 2.737 59 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 59 T C 1.856 176.573 174.700 0.027 0.000 1.038 59 T CA 0.928 63.033 62.100 0.008 0.000 1.144 59 T CB -0.096 68.755 68.868 -0.027 0.000 0.866 59 T HN 0.138 nan 8.240 nan 0.000 0.434 60 L N 0.731 121.954 121.223 -0.001 0.000 2.093 60 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 60 L C 2.652 179.515 176.870 -0.011 0.000 1.085 60 L CA 0.821 55.657 54.840 -0.007 0.000 0.755 60 L CB -0.576 41.454 42.059 -0.048 0.000 0.904 60 L HN 0.153 nan 8.230 nan 0.000 0.435 61 V N 0.088 120.004 119.914 0.004 0.000 2.295 61 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 61 V C 2.551 178.651 176.094 0.010 0.000 1.049 61 V CA 2.000 64.295 62.300 -0.008 0.000 1.024 61 V CB -0.481 31.353 31.823 0.018 0.000 0.648 61 V HN 0.387 nan 8.190 nan 0.000 0.447 62 K N -0.126 120.365 120.400 0.153 0.000 2.032 62 K HA -0.247 4.073 4.320 -0.000 0.000 0.209 62 K C 2.133 178.812 176.600 0.131 0.000 1.048 62 K CA 2.044 58.494 56.287 0.271 0.000 0.927 62 K CB -0.766 31.848 32.500 0.190 0.000 0.712 62 K HN 0.529 nan 8.250 nan 0.000 0.441 63 Y N 0.553 120.827 120.300 -0.043 0.000 2.145 63 Y HA -0.168 4.382 4.550 -0.000 0.000 0.286 63 Y C 1.628 177.417 175.900 -0.185 0.000 1.145 63 Y CA 2.001 60.046 58.100 -0.091 0.000 1.148 63 Y CB -0.045 38.349 38.460 -0.111 0.000 0.981 63 Y HN 0.029 nan 8.280 nan 0.000 0.507 64 L N -0.442 120.536 121.223 -0.407 0.000 2.156 64 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 64 L C 2.743 179.163 176.870 -0.749 0.000 1.095 64 L CA 0.856 55.166 54.840 -0.882 0.000 0.770 64 L CB -0.811 40.352 42.059 -1.493 0.000 0.914 64 L HN 0.311 nan 8.230 nan 0.000 0.439 65 A N -0.115 122.482 122.820 -0.372 0.000 1.969 65 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 65 A C 1.814 179.457 177.584 0.098 0.000 1.169 65 A CA 1.909 53.943 52.037 -0.006 0.000 0.635 65 A CB -0.365 18.616 19.000 -0.032 0.000 0.810 65 A HN 0.318 nan 8.150 nan 0.000 0.445 66 D N -0.707 119.724 120.400 0.053 0.000 2.120 66 D HA -0.015 4.625 4.640 -0.000 0.000 0.202 66 D C 1.964 178.345 176.300 0.136 0.000 0.972 66 D CA 1.114 55.195 54.000 0.135 0.000 0.837 66 D CB -0.140 40.701 40.800 0.068 0.000 0.989 66 D HN 0.149 nan 8.370 nan 0.000 0.469 67 K N 0.225 120.566 120.400 -0.098 0.000 2.025 67 K HA 0.034 4.354 4.320 -0.000 0.000 0.207 67 K C 0.398 177.107 176.600 0.182 0.000 1.049 67 K CA 1.042 57.286 56.287 -0.071 0.000 0.933 67 K CB 0.082 32.328 32.500 -0.422 0.000 0.714 67 K HN 0.102 nan 8.250 nan 0.000 0.438 68 Q N -0.491 119.343 119.800 0.057 0.000 2.849 68 Q HA 0.389 4.729 4.340 -0.000 0.000 0.289 68 Q C -0.403 175.641 176.000 0.072 0.000 1.012 68 Q CA -0.546 55.315 55.803 0.096 0.000 0.899 68 Q CB 1.699 30.538 28.738 0.169 0.000 1.235 68 Q HN 0.233 nan 8.270 nan 0.000 0.457 69 G N 0.419 109.100 108.800 -0.199 0.000 2.938 69 G HA2 0.771 4.730 3.960 -0.000 0.000 0.258 69 G HA3 0.771 4.730 3.960 -0.000 0.000 0.258 69 G C -0.860 173.668 174.900 -0.620 0.000 1.356 69 G CA -0.651 44.345 45.100 -0.173 0.000 1.052 69 G HN 0.281 nan 8.290 nan 0.000 0.550 70 L N 0.194 121.282 121.223 -0.225 0.000 2.334 70 L HA 0.647 4.987 4.340 -0.000 0.000 0.273 70 L C 0.752 177.653 176.870 0.052 0.000 1.013 70 L CA -1.046 53.686 54.840 -0.179 0.000 0.816 70 L CB 1.863 43.871 42.059 -0.085 0.000 1.278 70 L HN 0.629 nan 8.230 nan 0.000 0.431 71 A N 2.972 125.841 122.820 0.081 0.000 2.366 71 A HA 0.358 4.678 4.320 -0.000 0.000 0.249 71 A C -1.777 175.555 177.584 -0.421 0.000 1.084 71 A CA -0.969 50.950 52.037 -0.196 0.000 0.794 71 A CB -0.042 19.011 19.000 0.090 0.000 1.034 71 A HN 0.620 nan 8.150 nan 0.000 0.491 72 P HA -0.200 nan 4.420 nan 0.000 0.215 72 P C 1.688 178.828 177.300 -0.266 0.000 1.157 72 P CA 2.362 64.988 63.100 -0.789 0.000 0.874 72 P CB -0.010 31.057 31.700 -1.055 0.000 0.790 73 S N -0.810 114.770 115.700 -0.200 0.000 2.507 73 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 73 S C 1.614 176.215 174.600 0.001 0.000 0.988 73 S CA 0.953 59.118 58.200 -0.058 0.000 0.944 73 S CB -1.057 62.132 63.200 -0.018 0.000 0.762 73 S HN 0.278 nan 8.310 nan 0.000 0.526 74 E N 1.061 121.259 120.200 -0.003 0.000 2.481 74 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 74 E C 1.558 178.179 176.600 0.035 0.000 1.047 74 E CA 1.067 57.494 56.400 0.044 0.000 0.867 74 E CB 0.020 29.746 29.700 0.044 0.000 0.858 74 E HN 0.895 nan 8.360 nan 0.000 0.513 75 T N -2.139 112.430 114.554 0.025 0.000 3.023 75 T HA 0.030 4.379 4.350 -0.000 0.000 0.253 75 T C 0.443 175.167 174.700 0.040 0.000 1.038 75 T CA -0.461 61.657 62.100 0.030 0.000 0.962 75 T CB 0.080 68.987 68.868 0.066 0.000 1.018 75 T HN -0.219 nan 8.240 nan 0.000 0.521 76 D N 2.262 122.689 120.400 0.045 0.000 2.520 76 D HA 0.375 5.015 4.640 -0.000 0.000 0.243 76 D C 1.555 177.897 176.300 0.070 0.000 1.160 76 D CA 1.852 55.885 54.000 0.055 0.000 0.877 76 D CB 0.129 40.957 40.800 0.047 0.000 1.150 76 D HN 0.532 nan 8.370 nan 0.000 0.494 77 G N 1.457 110.307 108.800 0.084 0.000 2.217 77 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 77 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 77 G C 0.742 175.737 174.900 0.158 0.000 0.990 77 G CA 0.309 45.476 45.100 0.112 0.000 0.627 77 G HN 0.840 nan 8.290 nan 0.000 0.522 78 V N -2.491 117.442 119.914 0.032 0.000 3.159 78 V HA 0.475 4.595 4.120 -0.000 0.000 0.333 78 V C 1.755 177.614 176.094 -0.393 0.000 1.424 78 V CA 0.672 62.832 62.300 -0.234 0.000 1.125 78 V CB 0.119 31.880 31.823 -0.103 0.000 1.075 78 V HN 0.278 nan 8.190 nan 0.000 0.482 79 R N 0.467 120.890 120.500 -0.129 0.000 2.235 79 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 79 R C 2.026 178.292 176.300 -0.057 0.000 1.059 79 R CA 1.725 57.789 56.100 -0.060 0.000 0.997 79 R CB -0.426 29.915 30.300 0.067 0.000 0.884 79 R HN 0.885 nan 8.270 nan 0.000 0.462 80 Y N -1.135 119.199 120.300 0.057 0.000 2.315 80 Y HA -0.028 4.522 4.550 -0.000 0.000 0.288 80 Y C 2.225 178.135 175.900 0.016 0.000 1.154 80 Y CA 0.554 58.678 58.100 0.040 0.000 1.229 80 Y CB -0.552 37.930 38.460 0.036 0.000 0.980 80 Y HN -0.087 nan 8.280 nan 0.000 0.540 81 A N 1.404 124.011 122.820 -0.354 0.000 1.873 81 A HA -0.114 4.205 4.320 -0.000 0.000 0.215 81 A C 2.270 179.799 177.584 -0.092 0.000 1.186 81 A CA 1.976 53.905 52.037 -0.180 0.000 0.616 81 A CB -0.762 18.067 19.000 -0.285 0.000 0.823 81 A HN 0.577 nan 8.150 nan 0.000 0.442 82 M N -0.758 118.788 119.600 -0.090 0.000 2.319 82 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 82 M C 1.417 177.735 176.300 0.030 0.000 1.068 82 M CA 1.141 56.423 55.300 -0.030 0.000 1.118 82 M CB -0.259 32.326 32.600 -0.024 0.000 1.395 82 M HN 0.419 nan 8.290 nan 0.000 0.435 83 E N 0.229 120.452 120.200 0.039 0.000 2.502 83 E HA 0.013 4.362 4.350 -0.000 0.000 0.194 83 E C -0.142 176.366 176.600 -0.155 0.000 1.062 83 E CA -0.168 56.277 56.400 0.074 0.000 0.867 83 E CB 0.179 29.965 29.700 0.144 0.000 0.888 83 E HN 0.187 nan 8.360 nan 0.000 0.510 84 R N 0.519 120.903 120.500 -0.193 0.000 3.525 84 R HA -0.203 4.137 4.340 -0.000 0.000 0.276 84 R C -0.759 175.411 176.300 -0.217 0.000 1.116 84 R CA 0.564 56.477 56.100 -0.311 0.000 0.745 84 R CB -2.552 27.302 30.300 -0.743 0.000 1.185 84 R HN 0.302 nan 8.270 nan 0.000 0.454 85 R N 1.021 121.497 120.500 -0.040 0.000 3.266 85 R HA 0.131 4.470 4.340 -0.000 0.000 0.224 85 R C 1.094 177.410 176.300 0.027 0.000 1.525 85 R CA -0.441 55.661 56.100 0.003 0.000 1.364 85 R CB 0.209 30.560 30.300 0.086 0.000 1.276 85 R HN -0.052 nan 8.270 nan 0.000 0.660 86 L N 1.086 122.290 121.223 -0.031 0.000 2.551 86 L HA -0.076 4.264 4.340 -0.000 0.000 0.228 86 L C 1.236 178.089 176.870 -0.028 0.000 1.153 86 L CA 1.215 56.045 54.840 -0.016 0.000 0.851 86 L CB -0.278 41.753 42.059 -0.047 0.000 0.959 86 L HN 0.408 nan 8.230 nan 0.000 0.451 87 N N -1.506 117.163 118.700 -0.051 0.000 2.280 87 N HA 0.043 4.783 4.740 -0.000 0.000 0.192 87 N C 0.205 175.693 175.510 -0.037 0.000 1.109 87 N CA 0.125 53.141 53.050 -0.057 0.000 0.855 87 N CB 0.164 38.593 38.487 -0.097 0.000 0.974 87 N HN 0.175 nan 8.380 nan 0.000 0.482 88 T N 1.077 115.587 114.554 -0.074 0.000 2.867 88 T HA 0.106 4.456 4.350 -0.000 0.000 0.297 88 T C 0.506 175.121 174.700 -0.141 0.000 0.989 88 T CA 0.038 62.023 62.100 -0.191 0.000 1.159 88 T CB 1.341 69.910 68.868 -0.498 0.000 0.928 88 T HN -0.213 nan 8.240 nan 0.000 0.538 89 V N 5.600 125.444 119.914 -0.118 0.000 2.353 89 V HA 0.143 4.263 4.120 -0.000 0.000 0.264 89 V C 0.777 176.804 176.094 -0.112 0.000 1.049 89 V CA -0.526 61.740 62.300 -0.056 0.000 0.896 89 V CB 0.227 32.039 31.823 -0.019 0.000 1.025 89 V HN 0.837 nan 8.190 nan 0.000 0.475 90 E N 4.001 124.174 120.200 -0.045 0.000 2.392 90 E HA 0.199 4.548 4.350 -0.000 0.000 0.264 90 E C -0.404 176.184 176.600 -0.020 0.000 1.024 90 E CA -0.278 56.120 56.400 -0.003 0.000 0.903 90 E CB 0.641 30.511 29.700 0.282 0.000 0.963 90 E HN 0.470 nan 8.360 nan 0.000 0.432 91 Q N 2.623 122.321 119.800 -0.171 0.000 2.798 91 Q HA 0.300 4.640 4.340 -0.000 0.000 0.250 91 Q C -1.328 174.512 176.000 -0.267 0.000 1.006 91 Q CA -0.171 55.540 55.803 -0.152 0.000 0.759 91 Q CB 0.205 28.859 28.738 -0.141 0.000 1.201 91 Q HN 0.373 nan 8.270 nan 0.000 0.486 92 F N 0.706 120.685 119.950 0.047 0.000 2.594 92 F HA 0.313 4.840 4.527 -0.000 0.000 0.335 92 F C 1.008 176.822 175.800 0.023 0.000 1.058 92 F CA -0.963 57.068 58.000 0.051 0.000 0.981 92 F CB 0.927 39.968 39.000 0.069 0.000 1.289 92 F HN 0.211 nan 8.300 nan 0.000 0.490 93 D N -0.946 119.595 120.400 0.235 0.000 2.368 93 D HA -0.007 4.633 4.640 -0.000 0.000 0.240 93 D C 1.095 177.449 176.300 0.089 0.000 1.169 93 D CA 0.347 54.413 54.000 0.109 0.000 0.906 93 D CB 0.881 41.720 40.800 0.064 0.000 1.187 93 D HN 0.713 nan 8.370 nan 0.000 0.435 94 T N -1.519 113.062 114.554 0.045 0.000 2.759 94 T HA -0.301 4.049 4.350 -0.000 0.000 0.269 94 T C 1.792 176.498 174.700 0.010 0.000 1.042 94 T CA 1.676 63.793 62.100 0.029 0.000 1.140 94 T CB -0.365 68.511 68.868 0.013 0.000 0.864 94 T HN 0.579 nan 8.240 nan 0.000 0.455 95 Q N -0.032 119.762 119.800 -0.009 0.000 2.061 95 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 95 Q C 2.351 178.320 176.000 -0.051 0.000 0.984 95 Q CA 1.267 57.045 55.803 -0.041 0.000 0.846 95 Q CB -0.247 28.453 28.738 -0.064 0.000 0.902 95 Q HN 0.499 nan 8.270 nan 0.000 0.421 96 L N 0.436 121.633 121.223 -0.043 0.000 2.093 96 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 96 L C 2.068 178.895 176.870 -0.072 0.000 1.085 96 L CA 1.689 56.481 54.840 -0.080 0.000 0.755 96 L CB -0.807 41.201 42.059 -0.084 0.000 0.904 96 L HN 0.243 nan 8.230 nan 0.000 0.435 97 S N 0.114 115.809 115.700 -0.008 0.000 2.355 97 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 97 S C 1.668 176.266 174.600 -0.003 0.000 1.031 97 S CA 1.394 59.600 58.200 0.010 0.000 0.993 97 S CB -0.105 63.134 63.200 0.066 0.000 0.859 97 S HN 0.511 nan 8.310 nan 0.000 0.453 98 E N 0.612 120.817 120.200 0.009 0.000 2.072 98 E HA -0.077 4.272 4.350 -0.000 0.000 0.191 98 E C 2.146 178.784 176.600 0.065 0.000 0.985 98 E CA 1.509 57.926 56.400 0.028 0.000 0.801 98 E CB -0.252 29.467 29.700 0.031 0.000 0.750 98 E HN 0.445 nan 8.360 nan 0.000 0.452 99 T N -0.065 114.520 114.554 0.052 0.000 2.809 99 T HA -0.070 4.280 4.350 -0.000 0.000 0.260 99 T C 1.948 176.710 174.700 0.104 0.000 1.039 99 T CA 0.986 63.162 62.100 0.126 0.000 1.141 99 T CB -0.046 68.793 68.868 -0.048 0.000 0.869 99 T HN 0.252 nan 8.240 nan 0.000 0.437 100 C N 0.747 120.033 119.300 -0.025 0.000 3.228 100 C HA 0.532 4.992 4.460 -0.000 0.000 0.290 100 C C 2.216 177.098 174.990 -0.181 0.000 1.301 100 C CA -0.609 58.357 59.018 -0.087 0.000 1.703 100 C CB -0.419 27.271 27.740 -0.084 0.000 2.141 100 C HN 0.645 nan 8.230 nan 0.000 0.656 101 G N 1.052 109.764 108.800 -0.147 0.000 3.651 101 G HA2 0.145 4.105 3.960 -0.000 0.000 0.279 101 G HA3 0.145 4.105 3.960 -0.000 0.000 0.279 101 G C 1.241 176.075 174.900 -0.109 0.000 1.024 101 G CA -0.179 44.838 45.100 -0.138 0.000 0.813 101 G HN 0.657 nan 8.290 nan 0.000 0.518 102 R N -1.615 118.807 120.500 -0.129 0.000 2.297 102 R HA 0.303 4.643 4.340 -0.000 0.000 0.197 102 R C 1.297 177.522 176.300 -0.125 0.000 0.943 102 R CA 0.405 56.450 56.100 -0.090 0.000 1.038 102 R CB -0.457 29.809 30.300 -0.056 0.000 0.957 102 R HN 0.193 nan 8.270 nan 0.000 0.484 103 C N 0.118 119.282 119.300 -0.226 0.000 2.654 103 C HA 0.290 4.750 4.460 -0.000 0.000 0.288 103 C C 0.883 175.785 174.990 -0.146 0.000 1.578 103 C CA 0.234 59.120 59.018 -0.220 0.000 1.941 103 C CB -0.154 27.397 27.740 -0.316 0.000 1.856 103 C HN 0.671 nan 8.230 nan 0.000 0.706 104 H N 0.644 119.694 119.070 -0.032 0.000 2.649 104 H HA 0.605 5.161 4.556 -0.000 0.000 0.337 104 H C 0.277 175.608 175.328 0.005 0.000 1.282 104 H CA -0.130 55.911 56.048 -0.013 0.000 1.333 104 H CB -0.201 29.557 29.762 -0.007 0.000 1.787 104 H HN 0.295 nan 8.280 nan 0.000 0.632 105 S N -1.001 114.855 115.700 0.260 0.000 2.584 105 S HA 0.178 4.648 4.470 -0.000 0.000 0.270 105 S C 1.457 176.164 174.600 0.177 0.000 1.346 105 S CA -0.320 58.003 58.200 0.206 0.000 1.018 105 S CB 0.685 64.016 63.200 0.219 0.000 0.899 105 S HN 0.983 nan 8.310 nan 0.000 0.542 106 G N 0.293 109.118 108.800 0.041 0.000 2.572 106 G HA2 0.223 4.183 3.960 -0.000 0.000 0.216 106 G HA3 0.223 4.183 3.960 -0.000 0.000 0.216 106 G C 1.350 176.012 174.900 -0.397 0.000 1.133 106 G CA 0.340 45.196 45.100 -0.407 0.000 0.791 106 G HN 1.051 nan 8.290 nan 0.000 0.538 107 A N 0.848 123.722 122.820 0.090 0.000 1.969 107 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 107 A C 2.231 179.772 177.584 -0.071 0.000 1.169 107 A CA 1.507 53.610 52.037 0.110 0.000 0.635 107 A CB -0.367 18.624 19.000 -0.015 0.000 0.810 107 A HN 0.346 nan 8.150 nan 0.000 0.445 108 R N -0.216 120.247 120.500 -0.061 0.000 2.120 108 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 108 R C 1.661 177.885 176.300 -0.125 0.000 1.123 108 R CA 1.735 57.761 56.100 -0.124 0.000 0.975 108 R CB -0.269 29.918 30.300 -0.188 0.000 0.866 108 R HN 0.337 nan 8.270 nan 0.000 0.446 109 V N 0.571 120.425 119.914 -0.100 0.000 2.346 109 V HA -0.079 4.041 4.120 -0.000 0.000 0.244 109 V C 2.372 178.292 176.094 -0.290 0.000 1.037 109 V CA 1.706 63.965 62.300 -0.069 0.000 1.029 109 V CB -0.541 31.226 31.823 -0.094 0.000 0.663 109 V HN 0.483 nan 8.190 nan 0.000 0.454 110 A N -0.516 122.032 122.820 -0.452 0.000 2.121 110 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 110 A C 1.895 179.207 177.584 -0.454 0.000 1.154 110 A CA 1.063 52.643 52.037 -0.761 0.000 0.679 110 A CB -0.503 18.402 19.000 -0.158 0.000 0.795 110 A HN 0.528 nan 8.150 nan 0.000 0.458 111 L N -0.350 120.710 121.223 -0.273 0.000 2.688 111 L HA 0.137 4.477 4.340 -0.000 0.000 0.234 111 L C 0.149 176.885 176.870 -0.224 0.000 1.192 111 L CA 0.085 54.800 54.840 -0.208 0.000 0.984 111 L CB -0.217 41.732 42.059 -0.183 0.000 1.232 111 L HN 0.443 nan 8.230 nan 0.000 0.465 112 Q N 0.078 119.743 119.800 -0.225 0.000 2.421 112 Q HA 0.530 4.870 4.340 -0.000 0.000 0.280 112 Q C -0.936 175.014 176.000 -0.083 0.000 1.085 112 Q CA -0.977 54.700 55.803 -0.209 0.000 0.807 112 Q CB 2.944 31.541 28.738 -0.235 0.000 1.405 112 Q HN 0.011 nan 8.270 nan 0.000 0.419 113 R N 1.803 122.224 120.500 -0.132 0.000 2.476 113 R HA 0.597 4.937 4.340 -0.000 0.000 0.305 113 R C -0.813 175.393 176.300 -0.157 0.000 0.965 113 R CA -0.396 55.704 56.100 -0.001 0.000 0.867 113 R CB 1.774 32.058 30.300 -0.027 0.000 1.176 113 R HN 0.656 nan 8.270 nan 0.000 0.447 114 R N 2.180 122.585 120.500 -0.159 0.000 2.707 114 R HA 0.481 4.821 4.340 -0.000 0.000 0.272 114 R C -2.624 173.598 176.300 -0.130 0.000 1.011 114 R CA -1.858 54.005 56.100 -0.395 0.000 0.893 114 R CB 2.969 32.577 30.300 -1.154 0.000 1.233 114 R HN 0.332 nan 8.270 nan 0.000 0.464 115 P HA 0.083 nan 4.420 nan 0.000 0.276 115 P C 0.002 177.381 177.300 0.133 0.000 1.261 115 P CA -0.146 63.003 63.100 0.082 0.000 0.800 115 P CB 0.953 32.693 31.700 0.067 0.000 1.066 116 A N 1.497 124.435 122.820 0.195 0.000 1.917 116 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 116 A C 2.154 179.812 177.584 0.123 0.000 1.182 116 A CA 2.517 54.685 52.037 0.219 0.000 0.633 116 A CB -1.236 17.839 19.000 0.125 0.000 0.819 116 A HN 0.525 nan 8.150 nan 0.000 0.448 117 K N 0.050 120.456 120.400 0.011 0.000 2.148 117 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 117 K C 1.658 178.148 176.600 -0.184 0.000 1.050 117 K CA 1.640 57.849 56.287 -0.130 0.000 0.942 117 K CB -0.152 32.255 32.500 -0.154 0.000 0.724 117 K HN 0.458 nan 8.250 nan 0.000 0.446 118 E N -1.002 119.160 120.200 -0.064 0.000 2.216 118 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 118 E C 1.815 178.406 176.600 -0.016 0.000 0.988 118 E CA 0.820 57.199 56.400 -0.036 0.000 0.834 118 E CB -0.243 29.380 29.700 -0.128 0.000 0.772 118 E HN 0.476 nan 8.360 nan 0.000 0.479 119 W N 1.583 122.916 121.300 0.056 0.000 2.476 119 W HA -0.019 4.640 4.660 -0.000 0.000 0.281 119 W C 2.360 178.923 176.519 0.072 0.000 1.230 119 W CA 0.333 57.721 57.345 0.072 0.000 1.287 119 W CB 0.187 29.676 29.460 0.049 0.000 1.108 119 W HN 0.121 nan 8.180 nan 0.000 0.567 120 E N -0.381 119.955 120.200 0.225 0.000 2.072 120 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 120 E C 1.906 178.609 176.600 0.173 0.000 0.985 120 E CA 1.138 57.612 56.400 0.122 0.000 0.801 120 E CB -0.159 29.533 29.700 -0.014 0.000 0.750 120 E HN 0.294 nan 8.360 nan 0.000 0.452 121 H N 0.560 119.731 119.070 0.167 0.000 2.387 121 H HA -0.119 4.436 4.556 -0.000 0.000 0.299 121 H C 2.248 177.727 175.328 0.252 0.000 1.090 121 H CA 1.203 57.348 56.048 0.161 0.000 1.332 121 H CB -0.337 29.483 29.762 0.097 0.000 1.386 121 H HN 0.253 nan 8.280 nan 0.000 0.516 122 L N 0.179 121.652 121.223 0.416 0.000 2.046 122 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 122 L C 2.234 179.506 176.870 0.670 0.000 1.077 122 L CA 0.921 56.072 54.840 0.519 0.000 0.747 122 L CB -0.331 42.023 42.059 0.492 0.000 0.896 122 L HN -0.025 nan 8.230 nan 0.000 0.432 123 V N 0.555 120.763 119.914 0.489 0.000 2.343 123 V HA -0.300 3.819 4.120 -0.000 0.000 0.247 123 V C 2.323 178.692 176.094 0.459 0.000 1.051 123 V CA 2.140 64.710 62.300 0.449 0.000 1.036 123 V CB -0.943 31.038 31.823 0.262 0.000 0.654 123 V HN 0.547 nan 8.190 nan 0.000 0.451 124 N N -0.335 118.588 118.700 0.371 0.000 2.166 124 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 124 N C 1.839 177.510 175.510 0.268 0.000 1.019 124 N CA 1.821 55.047 53.050 0.293 0.000 0.856 124 N CB -0.299 38.343 38.487 0.258 0.000 0.993 124 N HN 0.606 nan 8.380 nan 0.000 0.426 125 F N 1.619 121.691 119.950 0.203 0.000 2.134 125 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 125 F C 2.247 178.059 175.800 0.020 0.000 1.097 125 F CA 1.523 59.568 58.000 0.075 0.000 1.264 125 F CB -0.278 38.755 39.000 0.055 0.000 1.001 125 F HN 0.044 nan 8.300 nan 0.000 0.479 126 H N 0.246 119.277 119.070 -0.064 0.000 2.270 126 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 126 H C 2.361 177.658 175.328 -0.052 0.000 1.077 126 H CA 2.338 58.381 56.048 -0.008 0.000 1.294 126 H CB -0.629 29.333 29.762 0.334 0.000 1.371 126 H HN 0.289 nan 8.280 nan 0.000 0.491 127 L N -0.010 121.306 121.223 0.155 0.000 2.201 127 L HA -0.092 4.247 4.340 -0.000 0.000 0.212 127 L C 2.285 179.137 176.870 -0.031 0.000 1.105 127 L CA 1.129 56.005 54.840 0.059 0.000 0.775 127 L CB -0.428 41.723 42.059 0.153 0.000 0.913 127 L HN 0.456 nan 8.230 nan 0.000 0.440 128 G N -1.203 107.535 108.800 -0.102 0.000 2.396 128 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.214 128 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.214 128 G C 1.402 176.107 174.900 -0.325 0.000 1.166 128 G CA 0.393 45.404 45.100 -0.149 0.000 0.793 128 G HN 0.287 nan 8.290 nan 0.000 0.533 129 Q N -0.877 118.508 119.800 -0.693 0.000 2.187 129 Q HA 0.032 4.371 4.340 -0.000 0.000 0.199 129 Q C 0.280 175.633 176.000 -1.078 0.000 0.957 129 Q CA 0.636 55.786 55.803 -1.088 0.000 0.857 129 Q CB 0.036 27.543 28.738 -2.052 0.000 0.929 129 Q HN 0.518 nan 8.270 nan 0.000 0.453 130 W N 0.161 121.325 121.300 -0.226 0.000 2.433 130 W HA 0.332 4.992 4.660 -0.000 0.000 0.288 130 W C -2.230 174.224 176.519 -0.107 0.000 0.986 130 W CA -2.254 55.004 57.345 -0.146 0.000 1.680 130 W CB 0.904 30.278 29.460 -0.143 0.000 1.615 130 W HN 0.138 nan 8.180 nan 0.000 0.416 131 P HA -0.218 nan 4.420 nan 0.000 0.218 131 P C 1.852 179.233 177.300 0.136 0.000 1.146 131 P CA 2.199 65.336 63.100 0.062 0.000 0.813 131 P CB 0.177 31.892 31.700 0.024 0.000 0.778 132 S N -1.406 114.360 115.700 0.109 0.000 2.555 132 S HA -0.060 4.410 4.470 -0.000 0.000 0.230 132 S C 1.790 176.468 174.600 0.129 0.000 0.978 132 S CA 0.142 58.419 58.200 0.129 0.000 0.934 132 S CB -1.521 61.697 63.200 0.029 0.000 0.766 132 S HN 0.079 nan 8.310 nan 0.000 0.533 133 L N 2.508 123.745 121.223 0.023 0.000 1.997 133 L HA -0.245 4.095 4.340 -0.000 0.000 0.216 133 L C 2.674 179.341 176.870 -0.338 0.000 1.074 133 L CA 2.455 57.182 54.840 -0.190 0.000 0.763 133 L CB -0.567 41.318 42.059 -0.290 0.000 0.890 133 L HN 0.621 nan 8.230 nan 0.000 0.434 134 E N -1.995 118.023 120.200 -0.303 0.000 2.516 134 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 134 E C 1.032 177.431 176.600 -0.336 0.000 1.069 134 E CA 0.729 56.911 56.400 -0.363 0.000 0.876 134 E CB -0.218 29.318 29.700 -0.273 0.000 0.843 134 E HN 0.671 nan 8.360 nan 0.000 0.530 135 Y N 0.981 121.218 120.300 -0.105 0.000 2.444 135 Y HA 0.224 4.773 4.550 -0.000 0.000 0.249 135 Y C 0.952 176.816 175.900 -0.060 0.000 1.134 135 Y CA -0.448 57.619 58.100 -0.056 0.000 1.261 135 Y CB 0.589 39.025 38.460 -0.040 0.000 1.143 135 Y HN -0.027 nan 8.280 nan 0.000 0.523 136 Q N 0.638 120.457 119.800 0.033 0.000 2.396 136 Q HA 0.503 4.843 4.340 -0.000 0.000 0.221 136 Q C 0.177 176.167 176.000 -0.017 0.000 1.025 136 Q CA -0.515 55.283 55.803 -0.007 0.000 0.946 136 Q CB 0.723 29.425 28.738 -0.060 0.000 1.224 136 Q HN 0.292 nan 8.270 nan 0.000 0.539 137 A N 1.030 123.843 122.820 -0.011 0.000 2.540 137 A HA -0.039 4.281 4.320 -0.000 0.000 0.239 137 A C -0.000 177.584 177.584 0.001 0.000 1.061 137 A CA 0.349 52.385 52.037 -0.001 0.000 0.758 137 A CB -0.088 18.911 19.000 -0.002 0.000 0.991 137 A HN 0.880 nan 8.150 nan 0.000 0.502 138 Q N -0.662 119.152 119.800 0.022 0.000 2.493 138 Q HA -0.294 4.046 4.340 -0.000 0.000 0.260 138 Q C 0.636 176.701 176.000 0.109 0.000 0.905 138 Q CA 1.079 56.913 55.803 0.052 0.000 1.140 138 Q CB -2.055 26.710 28.738 0.045 0.000 1.435 138 Q HN 1.474 nan 8.270 nan 0.000 0.581 139 A N -0.063 122.801 122.820 0.073 0.000 1.757 139 A HA 0.087 4.407 4.320 -0.000 0.000 0.205 139 A C 1.383 178.998 177.584 0.051 0.000 1.791 139 A CA 0.374 52.474 52.037 0.105 0.000 1.282 139 A CB -0.019 18.878 19.000 -0.171 0.000 1.297 139 A HN 0.319 nan 8.150 nan 0.000 0.422 140 R N 1.067 121.563 120.500 -0.005 0.000 2.285 140 R HA -0.069 4.271 4.340 -0.000 0.000 0.213 140 R C 0.505 176.806 176.300 0.002 0.000 1.068 140 R CA 1.645 57.730 56.100 -0.026 0.000 1.004 140 R CB -0.419 29.882 30.300 0.002 0.000 0.873 140 R HN 0.441 nan 8.270 nan 0.000 0.467 141 D N 1.051 121.466 120.400 0.025 0.000 2.339 141 D HA -0.033 4.607 4.640 -0.000 0.000 0.217 141 D C 0.356 176.672 176.300 0.026 0.000 1.050 141 D CA -0.116 53.897 54.000 0.023 0.000 0.856 141 D CB 0.081 40.895 40.800 0.024 0.000 0.922 141 D HN 0.507 nan 8.370 nan 0.000 0.518 142 R N -1.182 119.343 120.500 0.041 0.000 2.752 142 R HA 0.373 4.713 4.340 -0.000 0.000 0.271 142 R C -1.611 174.719 176.300 0.050 0.000 1.026 142 R CA -0.776 55.347 56.100 0.037 0.000 0.901 142 R CB 0.293 30.616 30.300 0.038 0.000 1.243 142 R HN -0.358 nan 8.270 nan 0.000 0.463 143 D N 1.494 121.909 120.400 0.024 0.000 2.508 143 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 143 D C 0.344 176.671 176.300 0.045 0.000 1.171 143 D CA -0.095 53.923 54.000 0.029 0.000 1.006 143 D CB -0.065 40.735 40.800 -0.001 0.000 1.073 143 D HN 0.455 nan 8.370 nan 0.000 0.513 144 W N 2.275 123.541 121.300 -0.056 0.000 2.317 144 W HA -0.271 4.389 4.660 -0.000 0.000 0.318 144 W C 1.867 178.369 176.519 -0.028 0.000 1.227 144 W CA 1.012 58.330 57.345 -0.045 0.000 1.269 144 W CB -0.152 29.276 29.460 -0.052 0.000 1.155 144 W HN 0.325 nan 8.180 nan 0.000 0.484 145 L N 1.094 122.455 121.223 0.231 0.000 1.989 145 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 145 L C -0.641 176.175 176.870 -0.090 0.000 1.071 145 L CA 2.352 57.254 54.840 0.102 0.000 0.749 145 L CB -2.024 40.153 42.059 0.197 0.000 0.890 145 L HN -0.168 nan 8.230 nan 0.000 0.431 146 P HA -0.154 nan 4.420 nan 0.000 0.215 146 P C 2.107 179.323 177.300 -0.139 0.000 1.153 146 P CA 1.679 64.734 63.100 -0.075 0.000 0.853 146 P CB -0.009 31.664 31.700 -0.045 0.000 0.788 147 I N -0.833 119.620 120.570 -0.196 0.000 2.226 147 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 147 I C 2.291 178.209 176.117 -0.331 0.000 1.100 147 I CA 1.493 62.649 61.300 -0.241 0.000 1.374 147 I CB -0.727 37.117 38.000 -0.259 0.000 1.057 147 I HN -0.087 nan 8.210 nan 0.000 0.413 148 A N 0.660 123.167 122.820 -0.522 0.000 1.930 148 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 148 A C 2.262 179.668 177.584 -0.296 0.000 1.175 148 A CA 1.348 53.040 52.037 -0.575 0.000 0.627 148 A CB -0.640 17.721 19.000 -1.065 0.000 0.815 148 A HN 0.384 nan 8.150 nan 0.000 0.443 149 L N -1.548 119.552 121.223 -0.205 0.000 2.127 149 L HA -0.117 4.223 4.340 -0.000 0.000 0.203 149 L C 2.760 179.577 176.870 -0.088 0.000 1.080 149 L CA 1.151 55.931 54.840 -0.099 0.000 0.768 149 L CB -0.412 41.618 42.059 -0.049 0.000 0.924 149 L HN 0.425 nan 8.230 nan 0.000 0.444 150 Q N -0.993 118.746 119.800 -0.102 0.000 2.250 150 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 150 Q C 2.015 177.959 176.000 -0.094 0.000 0.941 150 Q CA 0.851 56.605 55.803 -0.081 0.000 0.872 150 Q CB 0.298 28.994 28.738 -0.069 0.000 0.965 150 Q HN 0.345 nan 8.270 nan 0.000 0.480 151 Q N -0.695 119.030 119.800 -0.126 0.000 2.388 151 Q HA 0.018 4.358 4.340 -0.000 0.000 0.204 151 Q C 2.038 177.948 176.000 -0.151 0.000 0.946 151 Q CA 0.693 56.419 55.803 -0.128 0.000 0.880 151 Q CB 0.361 29.018 28.738 -0.135 0.000 0.997 151 Q HN 0.092 nan 8.270 nan 0.000 0.552 152 V N -0.124 119.674 119.914 -0.193 0.000 2.307 152 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 152 V C 2.115 178.074 176.094 -0.225 0.000 1.045 152 V CA 1.433 63.600 62.300 -0.222 0.000 1.024 152 V CB -0.673 30.990 31.823 -0.267 0.000 0.651 152 V HN 0.147 nan 8.190 nan 0.000 0.449 153 V N 0.495 120.309 119.914 -0.166 0.000 2.282 153 V HA -0.189 3.931 4.120 -0.000 0.000 0.249 153 V C 0.154 176.182 176.094 -0.109 0.000 1.057 153 V CA 2.742 64.980 62.300 -0.104 0.000 1.032 153 V CB -1.823 29.999 31.823 -0.002 0.000 0.645 153 V HN 0.512 nan 8.190 nan 0.000 0.447 154 P HA -0.107 nan 4.420 nan 0.000 0.218 154 P C 1.208 178.442 177.300 -0.111 0.000 1.149 154 P CA 1.496 64.555 63.100 -0.068 0.000 0.817 154 P CB 0.045 31.710 31.700 -0.059 0.000 0.785 155 D N -0.880 119.420 120.400 -0.167 0.000 2.123 155 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 155 D C 1.836 177.954 176.300 -0.303 0.000 0.976 155 D CA 0.876 54.755 54.000 -0.201 0.000 0.831 155 D CB -0.641 40.042 40.800 -0.195 0.000 0.974 155 D HN -0.011 nan 8.370 nan 0.000 0.469 156 L N 0.079 121.044 121.223 -0.432 0.000 2.083 156 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 156 L C 2.499 179.074 176.870 -0.491 0.000 1.083 156 L CA 1.180 55.581 54.840 -0.733 0.000 0.752 156 L CB -0.441 40.774 42.059 -1.407 0.000 0.899 156 L HN 0.084 nan 8.230 nan 0.000 0.433 157 A N -0.260 122.438 122.820 -0.202 0.000 1.968 157 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 157 A C 2.392 180.028 177.584 0.088 0.000 1.169 157 A CA 1.630 53.773 52.037 0.176 0.000 0.638 157 A CB -0.291 18.831 19.000 0.202 0.000 0.812 157 A HN 0.324 nan 8.150 nan 0.000 0.446 158 K N -0.466 119.911 120.400 -0.038 0.000 2.116 158 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 158 K C 2.200 178.742 176.600 -0.097 0.000 1.052 158 K CA 0.796 57.055 56.287 -0.046 0.000 0.952 158 K CB -0.102 32.357 32.500 -0.069 0.000 0.729 158 K HN 0.407 nan 8.250 nan 0.000 0.446 159 R N -0.783 119.562 120.500 -0.258 0.000 2.093 159 R HA -0.054 4.286 4.340 -0.000 0.000 0.224 159 R C 0.352 176.402 176.300 -0.417 0.000 1.101 159 R CA 1.026 56.840 56.100 -0.478 0.000 0.979 159 R CB 0.091 29.849 30.300 -0.904 0.000 0.877 159 R HN 0.234 nan 8.270 nan 0.000 0.441 160 Y N 1.497 121.866 120.300 0.115 0.000 2.562 160 Y HA 0.337 4.886 4.550 -0.000 0.000 0.363 160 Y C -2.283 173.811 175.900 0.323 0.000 0.991 160 Y CA -2.664 55.573 58.100 0.228 0.000 1.121 160 Y CB 0.957 39.620 38.460 0.338 0.000 1.159 160 Y HN -0.024 nan 8.280 nan 0.000 0.651 161 P HA 0.007 nan 4.420 nan 0.000 0.277 161 P C 0.826 178.235 177.300 0.182 0.000 1.240 161 P CA -0.328 62.919 63.100 0.245 0.000 0.798 161 P CB 2.172 33.974 31.700 0.170 0.000 0.979 162 L N 0.296 121.601 121.223 0.135 0.000 2.017 162 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 162 L C 0.987 177.935 176.870 0.131 0.000 1.073 162 L CA 2.033 56.924 54.840 0.085 0.000 0.745 162 L CB -0.317 41.791 42.059 0.083 0.000 0.894 162 L HN 0.479 nan 8.230 nan 0.000 0.432 163 E N 0.574 120.871 120.200 0.162 0.000 2.191 163 E HA 0.347 4.697 4.350 -0.000 0.000 0.278 163 E C -0.647 176.069 176.600 0.192 0.000 0.972 163 E CA -0.048 56.475 56.400 0.204 0.000 0.804 163 E CB 1.771 31.574 29.700 0.172 0.000 1.110 163 E HN 0.309 nan 8.360 nan 0.000 0.394 164 S N 0.355 116.196 115.700 0.235 0.000 2.565 164 S HA 0.555 5.025 4.470 -0.000 0.000 0.269 164 S C 0.483 175.205 174.600 0.204 0.000 1.153 164 S CA -0.223 58.097 58.200 0.200 0.000 0.835 164 S CB 1.281 64.604 63.200 0.204 0.000 1.122 164 S HN 0.355 nan 8.310 nan 0.000 0.462 165 A N 1.499 124.410 122.820 0.152 0.000 1.933 165 A HA 0.292 4.612 4.320 -0.000 0.000 0.218 165 A C 2.312 179.990 177.584 0.157 0.000 1.175 165 A CA 1.957 54.070 52.037 0.127 0.000 0.628 165 A CB -1.577 17.480 19.000 0.095 0.000 0.814 165 A HN 1.633 nan 8.150 nan 0.000 0.444 166 A N -1.081 121.851 122.820 0.188 0.000 1.883 166 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 166 A C 2.170 179.961 177.584 0.346 0.000 1.186 166 A CA 1.473 53.642 52.037 0.221 0.000 0.624 166 A CB -1.021 18.090 19.000 0.185 0.000 0.822 166 A HN 0.883 nan 8.150 nan 0.000 0.444 167 W N 0.387 121.779 121.300 0.152 0.000 2.388 167 W HA -0.088 4.572 4.660 -0.000 0.000 0.294 167 W C 2.294 178.934 176.519 0.202 0.000 1.212 167 W CA 1.272 58.737 57.345 0.199 0.000 1.271 167 W CB -0.038 29.515 29.460 0.155 0.000 1.126 167 W HN 0.436 nan 8.180 nan 0.000 0.535 168 A N 0.904 123.741 122.820 0.027 0.000 1.877 168 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 168 A C 1.732 179.243 177.584 -0.122 0.000 1.186 168 A CA 1.896 53.852 52.037 -0.135 0.000 0.620 168 A CB -0.979 18.017 19.000 -0.007 0.000 0.822 168 A HN 0.447 nan 8.150 nan 0.000 0.443 169 E N -1.519 118.687 120.200 0.009 0.000 2.347 169 E HA -0.130 4.219 4.350 -0.000 0.000 0.196 169 E C 1.716 178.345 176.600 0.048 0.000 1.008 169 E CA 0.440 56.856 56.400 0.026 0.000 0.852 169 E CB -0.129 29.619 29.700 0.080 0.000 0.783 169 E HN 0.878 nan 8.360 nan 0.000 0.505 170 W N 1.498 122.737 121.300 -0.101 0.000 2.494 170 W HA -0.100 4.560 4.660 -0.000 0.000 0.286 170 W C 1.488 177.888 176.519 -0.197 0.000 1.218 170 W CA 0.780 58.077 57.345 -0.081 0.000 1.313 170 W CB 0.174 29.673 29.460 0.065 0.000 1.105 170 W HN 0.051 nan 8.180 nan 0.000 0.561 171 Q N 0.276 119.769 119.800 -0.512 0.000 2.234 171 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 171 Q C 2.083 177.831 176.000 -0.420 0.000 0.980 171 Q CA 1.180 56.622 55.803 -0.601 0.000 0.869 171 Q CB -0.011 28.316 28.738 -0.686 0.000 0.912 171 Q HN 0.126 nan 8.270 nan 0.000 0.436 172 K N -0.355 119.846 120.400 -0.331 0.000 2.202 172 K HA 0.107 4.426 4.320 -0.000 0.000 0.201 172 K C 1.574 178.019 176.600 -0.259 0.000 1.051 172 K CA 0.863 57.007 56.287 -0.238 0.000 0.977 172 K CB 0.254 32.661 32.500 -0.155 0.000 0.792 172 K HN 0.030 nan 8.250 nan 0.000 0.469 173 A N 1.575 124.208 122.820 -0.313 0.000 2.275 173 A HA 0.021 4.341 4.320 -0.000 0.000 0.212 173 A C 0.907 178.156 177.584 -0.559 0.000 1.201 173 A CA -0.174 51.678 52.037 -0.308 0.000 0.843 173 A CB -0.281 18.627 19.000 -0.154 0.000 0.873 173 A HN 0.104 nan 8.150 nan 0.000 0.492 174 R N 2.106 122.101 120.500 -0.843 0.000 2.446 174 R HA 0.157 4.497 4.340 -0.000 0.000 0.314 174 R C -2.150 173.920 176.300 -0.383 0.000 1.003 174 R CA -0.984 54.522 56.100 -0.990 0.000 1.018 174 R CB 0.299 30.082 30.300 -0.861 0.000 0.945 174 R HN 0.223 nan 8.270 nan 0.000 0.419 175 P HA 0.098 nan 4.420 nan 0.000 0.274 175 P C -1.060 176.276 177.300 0.060 0.000 1.246 175 P CA -0.352 62.742 63.100 -0.010 0.000 0.795 175 P CB 0.985 32.742 31.700 0.094 0.000 1.006 176 K N 0.105 120.552 120.400 0.079 0.000 2.127 176 K HA 0.456 4.776 4.320 -0.000 0.000 0.240 176 K C 1.189 177.903 176.600 0.190 0.000 1.024 176 K CA -0.394 55.957 56.287 0.107 0.000 0.918 176 K CB 0.641 33.185 32.500 0.074 0.000 1.108 176 K HN 0.361 nan 8.250 nan 0.000 0.485 177 A N 1.192 124.142 122.820 0.218 0.000 2.168 177 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 177 A C 1.282 179.116 177.584 0.416 0.000 1.152 177 A CA 1.426 53.696 52.037 0.388 0.000 0.716 177 A CB -0.524 18.663 19.000 0.312 0.000 0.794 177 A HN 0.916 nan 8.150 nan 0.000 0.465 178 D N 0.284 120.835 120.400 0.253 0.000 2.350 178 D HA 0.027 4.667 4.640 -0.000 0.000 0.216 178 D C 1.397 177.825 176.300 0.215 0.000 0.968 178 D CA 1.071 55.203 54.000 0.222 0.000 0.894 178 D CB -0.289 40.591 40.800 0.135 0.000 0.909 178 D HN 0.332 nan 8.370 nan 0.000 0.520 179 A N 0.122 123.072 122.820 0.217 0.000 2.208 179 A HA 0.190 4.510 4.320 -0.000 0.000 0.209 179 A C 2.282 180.012 177.584 0.243 0.000 1.161 179 A CA 0.084 52.237 52.037 0.194 0.000 0.782 179 A CB -0.397 18.709 19.000 0.177 0.000 0.816 179 A HN 0.286 nan 8.150 nan 0.000 0.477 180 L N -1.060 120.327 121.223 0.273 0.000 2.408 180 L HA 0.123 4.463 4.340 -0.000 0.000 0.215 180 L C -1.857 175.186 176.870 0.287 0.000 1.081 180 L CA -0.454 54.545 54.840 0.265 0.000 0.840 180 L CB -1.039 41.008 42.059 -0.021 0.000 1.002 180 L HN 0.068 nan 8.230 nan 0.000 0.468 181 P HA 0.208 nan 4.420 nan 0.000 0.267 181 P C 0.106 177.554 177.300 0.246 0.000 1.200 181 P CA 0.786 64.035 63.100 0.248 0.000 0.772 181 P CB 0.876 32.735 31.700 0.264 0.000 0.855 182 G N 1.135 110.085 108.800 0.250 0.000 2.340 182 G HA2 0.077 4.037 3.960 -0.000 0.000 0.282 182 G HA3 0.077 4.037 3.960 -0.000 0.000 0.282 182 G C -1.907 173.123 174.900 0.217 0.000 1.312 182 G CA -0.744 44.449 45.100 0.153 0.000 0.942 182 G HN 0.365 nan 8.290 nan 0.000 0.495 183 Q N -0.879 118.964 119.800 0.071 0.000 2.230 183 Q HA 0.591 4.931 4.340 -0.000 0.000 0.253 183 Q C -1.335 174.682 176.000 0.028 0.000 0.919 183 Q CA -0.074 55.804 55.803 0.124 0.000 0.908 183 Q CB 1.936 30.703 28.738 0.049 0.000 1.245 183 Q HN 0.514 nan 8.270 nan 0.000 0.437 184 W N 0.659 121.985 121.300 0.043 0.000 2.587 184 W HA 0.569 5.229 4.660 -0.000 0.000 0.324 184 W C -0.376 176.188 176.519 0.074 0.000 1.008 184 W CA -0.627 56.741 57.345 0.039 0.000 1.265 184 W CB 1.333 30.812 29.460 0.033 0.000 1.328 184 W HN 0.640 nan 8.180 nan 0.000 0.432 185 A N 4.876 127.783 122.820 0.145 0.000 2.409 185 A HA 0.627 4.947 4.320 -0.000 0.000 0.267 185 A C -0.791 176.821 177.584 0.046 0.000 1.127 185 A CA -0.058 51.993 52.037 0.023 0.000 0.795 185 A CB -0.281 18.678 19.000 -0.067 0.000 1.061 185 A HN 0.618 nan 8.150 nan 0.000 0.502 186 F N 1.219 121.105 119.950 -0.107 0.000 2.579 186 F HA 0.859 5.385 4.527 -0.000 0.000 0.324 186 F C -0.145 175.460 175.800 -0.325 0.000 1.058 186 F CA -0.848 56.949 58.000 -0.338 0.000 0.944 186 F CB 1.668 40.326 39.000 -0.570 0.000 1.245 186 F HN 0.459 nan 8.300 nan 0.000 0.477 187 S N 0.708 116.297 115.700 -0.185 0.000 2.546 187 S HA 0.907 5.377 4.470 -0.000 0.000 0.274 187 S C -0.722 173.799 174.600 -0.133 0.000 1.121 187 S CA 0.061 58.169 58.200 -0.152 0.000 0.887 187 S CB 1.477 64.592 63.200 -0.141 0.000 1.094 187 S HN 1.604 nan 8.310 nan 0.000 0.474 188 G N 1.969 110.744 108.800 -0.042 0.000 2.550 188 G HA2 0.519 4.479 3.960 -0.000 0.000 0.293 188 G HA3 0.519 4.479 3.960 -0.000 0.000 0.293 188 G C -2.184 172.780 174.900 0.106 0.000 1.402 188 G CA -0.456 44.660 45.100 0.026 0.000 0.784 188 G HN 0.791 nan 8.290 nan 0.000 0.482 189 H N -0.056 119.053 119.070 0.066 0.000 2.947 189 H HA 0.533 5.088 4.556 -0.000 0.000 0.354 189 H C -1.396 174.011 175.328 0.131 0.000 1.085 189 H CA -0.514 55.600 56.048 0.111 0.000 1.253 189 H CB 1.912 31.765 29.762 0.151 0.000 1.757 189 H HN 0.590 nan 8.280 nan 0.000 0.523 190 M N 6.076 125.540 119.600 -0.227 0.000 2.149 190 M HA 0.198 4.678 4.480 -0.000 0.000 0.342 190 M C -0.931 175.270 176.300 -0.165 0.000 1.068 190 M CA -1.048 54.222 55.300 -0.049 0.000 0.991 190 M CB 0.620 33.266 32.600 0.076 0.000 1.596 190 M HN 0.431 nan 8.290 nan 0.000 0.439 191 L N 5.581 126.822 121.223 0.029 0.000 2.578 191 L HA 0.087 4.427 4.340 -0.000 0.000 0.279 191 L C 1.065 177.877 176.870 -0.098 0.000 1.227 191 L CA 1.958 56.799 54.840 0.002 0.000 0.900 191 L CB 0.365 42.386 42.059 -0.064 0.000 1.144 191 L HN 1.020 nan 8.230 nan 0.000 0.496 192 A N 2.493 125.257 122.820 -0.092 0.000 3.153 192 A HA -0.315 4.005 4.320 -0.000 0.000 0.265 192 A C 1.652 179.172 177.584 -0.106 0.000 1.212 192 A CA 1.704 53.671 52.037 -0.116 0.000 1.018 192 A CB -1.672 17.209 19.000 -0.198 0.000 1.130 192 A HN 0.747 nan 8.150 nan 0.000 0.873 193 K N -1.953 118.365 120.400 -0.137 0.000 2.485 193 K HA 0.487 4.807 4.320 -0.000 0.000 0.200 193 K C 1.057 177.562 176.600 -0.158 0.000 1.344 193 K CA 2.249 58.425 56.287 -0.184 0.000 0.948 193 K CB 0.439 32.780 32.500 -0.265 0.000 1.454 193 K HN 2.220 nan 8.250 nan 0.000 0.502 194 G N 0.373 109.023 108.800 -0.250 0.000 2.353 194 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.615 194 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.615 194 G C -1.725 173.069 174.900 -0.177 0.000 1.280 194 G CA -0.473 44.521 45.100 -0.177 0.000 1.000 194 G HN 0.099 nan 8.290 nan 0.000 0.516 195 D N -0.882 119.558 120.400 0.066 0.000 2.368 195 D HA 0.463 5.103 4.640 -0.000 0.000 0.240 195 D C 0.098 176.405 176.300 0.011 0.000 1.169 195 D CA 0.526 54.586 54.000 0.100 0.000 0.906 195 D CB 1.870 42.749 40.800 0.133 0.000 1.187 195 D HN 0.774 nan 8.370 nan 0.000 0.435 196 V N 1.351 121.184 119.914 -0.135 0.000 3.012 196 V HA 0.676 4.796 4.120 -0.000 0.000 0.307 196 V C -1.436 174.518 176.094 -0.233 0.000 1.166 196 V CA -0.646 61.432 62.300 -0.370 0.000 0.974 196 V CB 2.311 33.629 31.823 -0.841 0.000 1.040 196 V HN 0.752 nan 8.190 nan 0.000 0.428 197 R N 4.092 124.418 120.500 -0.291 0.000 2.663 197 R HA 0.914 5.254 4.340 -0.000 0.000 0.267 197 R C -0.575 175.303 176.300 -0.704 0.000 1.038 197 R CA 0.158 55.977 56.100 -0.468 0.000 0.886 197 R CB 1.381 31.502 30.300 -0.298 0.000 1.249 197 R HN 1.711 nan 8.270 nan 0.000 0.463 198 G N 0.020 108.086 108.800 -1.224 0.000 2.360 198 G HA2 0.365 4.325 3.960 -0.000 0.000 0.276 198 G HA3 0.365 4.325 3.960 -0.000 0.000 0.276 198 G C -2.017 172.391 174.900 -0.819 0.000 1.256 198 G CA -0.052 44.499 45.100 -0.915 0.000 0.890 198 G HN 0.476 nan 8.290 nan 0.000 0.486 199 V N 0.845 120.641 119.914 -0.197 0.000 2.638 199 V HA 0.700 4.819 4.120 -0.000 0.000 0.306 199 V C -0.246 176.105 176.094 0.428 0.000 1.052 199 V CA -0.427 61.949 62.300 0.126 0.000 0.885 199 V CB 1.729 33.594 31.823 0.070 0.000 0.999 199 V HN 0.836 nan 8.190 nan 0.000 0.424 200 M N 3.783 123.700 119.600 0.529 0.000 2.114 200 M HA 0.502 4.982 4.480 -0.000 0.000 0.332 200 M C -0.246 176.248 176.300 0.324 0.000 1.014 200 M CA -0.091 55.461 55.300 0.419 0.000 0.956 200 M CB 1.417 34.238 32.600 0.369 0.000 1.551 200 M HN 0.683 nan 8.290 nan 0.000 0.427 201 S N 4.334 120.178 115.700 0.242 0.000 2.422 201 S HA 0.559 5.029 4.470 -0.000 0.000 0.298 201 S C -0.930 173.787 174.600 0.195 0.000 1.118 201 S CA -0.629 57.701 58.200 0.217 0.000 1.083 201 S CB 0.472 63.769 63.200 0.163 0.000 0.971 201 S HN 0.578 nan 8.310 nan 0.000 0.478 202 V N 5.702 125.746 119.914 0.217 0.000 2.384 202 V HA 0.594 4.714 4.120 -0.000 0.000 0.287 202 V C 0.399 176.622 176.094 0.214 0.000 1.020 202 V CA -0.661 61.744 62.300 0.174 0.000 0.850 202 V CB 1.370 33.210 31.823 0.028 0.000 0.987 202 V HN 0.981 nan 8.190 nan 0.000 0.436 203 T N 3.674 118.377 114.554 0.248 0.000 2.893 203 T HA 0.666 5.015 4.350 -0.000 0.000 0.291 203 T C -2.828 172.084 174.700 0.352 0.000 1.028 203 T CA -2.284 59.965 62.100 0.249 0.000 0.995 203 T CB 2.550 71.518 68.868 0.166 0.000 1.051 203 T HN 0.453 nan 8.240 nan 0.000 0.470 204 P HA 0.460 nan 4.420 nan 0.000 0.272 204 P C -0.842 176.497 177.300 0.065 0.000 1.240 204 P CA 0.218 63.455 63.100 0.228 0.000 0.791 204 P CB 0.807 32.600 31.700 0.155 0.000 0.978 205 D N -1.434 118.917 120.400 -0.082 0.000 3.057 205 D HA 0.135 4.775 4.640 -0.000 0.000 0.328 205 D C -1.037 175.171 176.300 -0.153 0.000 1.317 205 D CA -0.349 53.594 54.000 -0.095 0.000 0.973 205 D CB 0.394 41.134 40.800 -0.100 0.000 1.424 205 D HN 0.396 nan 8.370 nan 0.000 0.569 206 Q N 0.731 120.450 119.800 -0.136 0.000 2.247 206 Q HA 0.411 4.751 4.340 -0.000 0.000 0.288 206 Q C 1.004 176.892 176.000 -0.187 0.000 1.079 206 Q CA 0.434 56.158 55.803 -0.133 0.000 0.932 206 Q CB 0.132 28.808 28.738 -0.104 0.000 1.133 206 Q HN 0.680 nan 8.270 nan 0.000 0.377 207 G N 3.421 112.124 108.800 -0.163 0.000 2.602 207 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.310 207 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.310 207 G C -0.004 174.731 174.900 -0.276 0.000 1.183 207 G CA 0.304 45.299 45.100 -0.174 0.000 0.979 207 G HN 0.745 nan 8.290 nan 0.000 0.545 208 D N 1.919 122.140 120.400 -0.299 0.000 2.427 208 D HA 0.349 4.989 4.640 -0.000 0.000 0.224 208 D C 1.305 177.227 176.300 -0.630 0.000 1.157 208 D CA 1.035 54.801 54.000 -0.391 0.000 0.828 208 D CB 0.124 40.800 40.800 -0.206 0.000 0.974 208 D HN 0.752 nan 8.370 nan 0.000 0.498 209 T N -2.460 111.693 114.554 -0.669 0.000 2.944 209 T HA 0.707 5.057 4.350 -0.000 0.000 0.284 209 T C -0.204 173.997 174.700 -0.832 0.000 1.010 209 T CA -0.622 61.121 62.100 -0.594 0.000 1.025 209 T CB 1.480 70.148 68.868 -0.333 0.000 1.079 209 T HN -0.161 nan 8.240 nan 0.000 0.516 210 F N -0.846 119.011 119.950 -0.156 0.000 2.662 210 F HA 0.577 5.104 4.527 -0.000 0.000 0.312 210 F C 0.129 175.894 175.800 -0.058 0.000 1.113 210 F CA -1.349 56.615 58.000 -0.059 0.000 0.951 210 F CB 2.160 41.173 39.000 0.022 0.000 1.344 210 F HN 0.437 nan 8.300 nan 0.000 0.462 211 K N 1.244 121.777 120.400 0.222 0.000 2.138 211 K HA 0.794 5.113 4.320 -0.000 0.000 0.263 211 K C -1.400 175.297 176.600 0.163 0.000 0.965 211 K CA -0.791 55.571 56.287 0.125 0.000 0.868 211 K CB 2.226 34.784 32.500 0.097 0.000 1.083 211 K HN 0.342 nan 8.250 nan 0.000 0.443 212 V N 1.813 121.795 119.914 0.114 0.000 2.709 212 V HA 0.332 4.452 4.120 -0.000 0.000 0.308 212 V C -0.970 175.178 176.094 0.090 0.000 1.062 212 V CA -0.846 61.533 62.300 0.132 0.000 0.901 212 V CB 1.863 33.778 31.823 0.152 0.000 1.003 212 V HN 0.776 nan 8.190 nan 0.000 0.425 213 E N 2.457 122.723 120.200 0.109 0.000 2.241 213 E HA 0.645 4.995 4.350 -0.000 0.000 0.263 213 E C -1.674 175.005 176.600 0.132 0.000 0.882 213 E CA -0.368 56.088 56.400 0.094 0.000 0.769 213 E CB 2.031 31.789 29.700 0.097 0.000 1.185 213 E HN 0.478 nan 8.360 nan 0.000 0.415 214 V N 4.454 124.430 119.914 0.102 0.000 2.398 214 V HA 0.525 4.644 4.120 -0.000 0.000 0.286 214 V C -0.458 175.755 176.094 0.198 0.000 1.026 214 V CA -0.780 61.634 62.300 0.189 0.000 0.868 214 V CB 1.444 33.290 31.823 0.038 0.000 0.982 214 V HN 0.538 nan 8.190 nan 0.000 0.443 215 K N 3.168 123.752 120.400 0.307 0.000 2.604 215 K HA 0.797 5.117 4.320 -0.000 0.000 0.247 215 K C 0.078 176.804 176.600 0.210 0.000 0.956 215 K CA 0.128 56.538 56.287 0.205 0.000 0.896 215 K CB 1.621 34.199 32.500 0.130 0.000 1.131 215 K HN 0.973 nan 8.250 nan 0.000 0.440 216 G N 0.410 109.351 108.800 0.236 0.000 2.500 216 G HA2 0.778 4.738 3.960 -0.000 0.000 0.299 216 G HA3 0.778 4.738 3.960 -0.000 0.000 0.299 216 G C -1.658 173.358 174.900 0.193 0.000 1.242 216 G CA -0.054 45.137 45.100 0.153 0.000 0.859 216 G HN 0.661 nan 8.290 nan 0.000 0.481 217 A N -1.925 120.962 122.820 0.112 0.000 2.566 217 A HA 0.739 5.059 4.320 -0.000 0.000 0.290 217 A C -1.820 175.762 177.584 -0.005 0.000 1.071 217 A CA -0.704 51.414 52.037 0.135 0.000 0.658 217 A CB 0.265 19.339 19.000 0.123 0.000 1.285 217 A HN 0.944 nan 8.150 nan 0.000 0.427 218 Y N -0.010 120.324 120.300 0.058 0.000 2.334 218 Y HA 0.455 5.005 4.550 -0.000 0.000 0.325 218 Y C 1.785 177.686 175.900 0.001 0.000 1.308 218 Y CA 0.731 58.828 58.100 -0.004 0.000 1.389 218 Y CB 1.231 39.689 38.460 -0.004 0.000 1.328 218 Y HN 0.853 nan 8.280 nan 0.000 0.532 219 A N 0.358 123.282 122.820 0.173 0.000 2.070 219 A HA -0.185 4.134 4.320 -0.000 0.000 0.220 219 A C 1.492 179.133 177.584 0.094 0.000 1.159 219 A CA 1.790 53.885 52.037 0.096 0.000 0.656 219 A CB -0.741 18.309 19.000 0.083 0.000 0.800 219 A HN 0.833 nan 8.150 nan 0.000 0.453 220 D N -2.316 118.154 120.400 0.116 0.000 2.340 220 D HA 0.263 4.903 4.640 -0.000 0.000 0.220 220 D C 1.168 177.514 176.300 0.077 0.000 1.039 220 D CA 0.965 55.011 54.000 0.077 0.000 0.866 220 D CB -0.452 40.375 40.800 0.045 0.000 0.913 220 D HN 0.723 nan 8.370 nan 0.000 0.523 221 G N -0.412 108.451 108.800 0.105 0.000 2.213 221 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 221 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 221 G C 0.443 175.417 174.900 0.123 0.000 0.991 221 G CA 0.286 45.444 45.100 0.096 0.000 0.629 221 G HN 0.652 nan 8.290 nan 0.000 0.517 222 T N 2.990 117.635 114.554 0.152 0.000 2.870 222 T HA 0.517 4.867 4.350 -0.000 0.000 0.300 222 T C -1.943 172.939 174.700 0.303 0.000 0.989 222 T CA -0.736 61.468 62.100 0.173 0.000 1.139 222 T CB 0.870 69.788 68.868 0.083 0.000 0.920 222 T HN 0.120 nan 8.240 nan 0.000 0.537 223 P HA 0.207 nan 4.420 nan 0.000 0.269 223 P C -1.073 176.464 177.300 0.393 0.000 1.215 223 P CA -0.141 63.112 63.100 0.255 0.000 0.780 223 P CB 0.232 32.027 31.700 0.157 0.000 0.898 224 F N 2.289 122.329 119.950 0.150 0.000 2.646 224 F HA 0.349 4.876 4.527 -0.000 0.000 0.336 224 F C -0.826 175.061 175.800 0.146 0.000 1.437 224 F CA -0.534 57.552 58.000 0.144 0.000 1.142 224 F CB 0.107 39.134 39.000 0.046 0.000 1.530 224 F HN 0.089 nan 8.300 nan 0.000 0.591 225 N N 1.530 120.207 118.700 -0.039 0.000 2.372 225 N HA 0.761 5.501 4.740 -0.000 0.000 0.291 225 N C -0.163 175.265 175.510 -0.135 0.000 1.024 225 N CA -0.329 52.695 53.050 -0.044 0.000 0.873 225 N CB 2.170 40.673 38.487 0.027 0.000 1.206 225 N HN 0.557 nan 8.380 nan 0.000 0.486 226 G N -0.842 107.881 108.800 -0.129 0.000 2.660 226 G HA2 0.537 4.497 3.960 -0.000 0.000 0.290 226 G HA3 0.537 4.497 3.960 -0.000 0.000 0.290 226 G C -1.591 173.271 174.900 -0.062 0.000 1.432 226 G CA -0.392 44.631 45.100 -0.129 0.000 0.807 226 G HN 0.396 nan 8.290 nan 0.000 0.485 227 S N -1.322 114.346 115.700 -0.055 0.000 2.541 227 S HA 0.919 5.389 4.470 -0.000 0.000 0.280 227 S C 0.094 174.671 174.600 -0.039 0.000 1.112 227 S CA 0.576 58.761 58.200 -0.025 0.000 0.925 227 S CB 1.536 64.728 63.200 -0.013 0.000 1.067 227 S HN 2.157 nan 8.310 nan 0.000 0.479 228 G N 1.771 110.556 108.800 -0.025 0.000 2.500 228 G HA2 0.648 4.608 3.960 -0.000 0.000 0.299 228 G HA3 0.648 4.608 3.960 -0.000 0.000 0.299 228 G C -1.062 173.817 174.900 -0.035 0.000 1.242 228 G CA 0.042 45.115 45.100 -0.046 0.000 0.859 228 G HN 1.628 nan 8.290 nan 0.000 0.481 229 S N -1.621 114.034 115.700 -0.075 0.000 2.638 229 S HA 0.969 5.439 4.470 -0.000 0.000 0.274 229 S C -0.553 173.924 174.600 -0.205 0.000 1.157 229 S CA 0.078 58.223 58.200 -0.092 0.000 0.826 229 S CB 1.686 64.829 63.200 -0.095 0.000 1.139 229 S HN 2.475 nan 8.310 nan 0.000 0.474 230 A N 0.307 122.957 122.820 -0.283 0.000 2.606 230 A HA 0.839 5.159 4.320 -0.000 0.000 0.293 230 A C -1.449 175.832 177.584 -0.504 0.000 1.082 230 A CA -0.834 50.838 52.037 -0.609 0.000 0.685 230 A CB 0.957 19.161 19.000 -1.326 0.000 1.284 230 A HN 0.863 nan 8.150 nan 0.000 0.408 231 I N 1.040 121.243 120.570 -0.612 0.000 2.785 231 I HA 0.489 4.659 4.170 -0.000 0.000 0.302 231 I C -1.012 174.779 176.117 -0.543 0.000 1.069 231 I CA -0.854 60.125 61.300 -0.535 0.000 1.045 231 I CB 2.030 39.659 38.000 -0.618 0.000 1.236 231 I HN 0.521 nan 8.210 nan 0.000 0.429 232 L N 5.333 126.336 121.223 -0.367 0.000 2.343 232 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 232 L C -1.616 175.139 176.870 -0.192 0.000 0.996 232 L CA -0.387 54.390 54.840 -0.105 0.000 0.831 232 L CB 1.266 43.495 42.059 0.283 0.000 1.232 232 L HN 0.538 nan 8.230 nan 0.000 0.413 233 Y N 4.043 124.371 120.300 0.047 0.000 2.361 233 Y HA 0.229 4.779 4.550 -0.000 0.000 0.332 233 Y C 1.278 177.246 175.900 0.113 0.000 1.101 233 Y CA -0.300 57.828 58.100 0.048 0.000 1.137 233 Y CB 0.938 39.393 38.460 -0.007 0.000 1.207 233 Y HN 0.786 nan 8.280 nan 0.000 0.463 234 N N 1.794 120.718 118.700 0.374 0.000 2.708 234 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 234 N C 0.931 176.862 175.510 0.701 0.000 1.097 234 N CA 1.433 54.792 53.050 0.515 0.000 0.710 234 N CB -1.065 37.761 38.487 0.564 0.000 1.032 234 N HN 1.168 nan 8.380 nan 0.000 0.551 235 G N -1.439 107.656 108.800 0.492 0.000 2.189 235 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.267 235 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.267 235 G C 0.444 175.757 174.900 0.689 0.000 0.975 235 G CA 1.338 46.754 45.100 0.527 0.000 0.644 235 G HN 1.201 nan 8.290 nan 0.000 0.537 236 Y N -2.973 117.609 120.300 0.471 0.000 2.449 236 Y HA 0.533 5.083 4.550 -0.000 0.000 0.283 236 Y C 0.510 176.607 175.900 0.328 0.000 1.079 236 Y CA 0.002 58.331 58.100 0.381 0.000 1.099 236 Y CB 0.328 38.982 38.460 0.323 0.000 1.354 236 Y HN 0.073 nan 8.280 nan 0.000 0.569 237 E N 3.331 123.330 120.200 -0.335 0.000 1.858 237 E HA -0.056 4.294 4.350 -0.000 0.000 0.267 237 E C -1.051 175.642 176.600 0.154 0.000 1.215 237 E CA -0.040 56.239 56.400 -0.202 0.000 0.952 237 E CB -0.033 29.503 29.700 -0.274 0.000 1.058 237 E HN 0.446 nan 8.360 nan 0.000 0.407 238 W N 5.238 126.535 121.300 -0.005 0.000 2.345 238 W HA 0.157 4.817 4.660 -0.000 0.000 0.308 238 W C -0.725 175.727 176.519 -0.111 0.000 1.273 238 W CA -0.386 56.940 57.345 -0.032 0.000 1.243 238 W CB 0.635 30.082 29.460 -0.021 0.000 1.260 238 W HN 0.164 nan 8.180 nan 0.000 0.509 239 R N 4.645 124.890 120.500 -0.425 0.000 2.451 239 R HA 0.542 4.882 4.340 -0.000 0.000 0.307 239 R C -0.022 175.890 176.300 -0.646 0.000 0.965 239 R CA -0.539 55.342 56.100 -0.365 0.000 0.865 239 R CB 1.360 31.632 30.300 -0.047 0.000 1.174 239 R HN 0.693 nan 8.270 nan 0.000 0.455 240 G N 1.019 109.477 108.800 -0.569 0.000 2.680 240 G HA2 0.368 4.328 3.960 -0.000 0.000 0.290 240 G HA3 0.368 4.328 3.960 -0.000 0.000 0.290 240 G C -1.251 173.451 174.900 -0.331 0.000 1.355 240 G CA -0.456 44.355 45.100 -0.482 0.000 0.903 240 G HN 0.407 nan 8.290 nan 0.000 0.474 241 N N -0.097 118.453 118.700 -0.250 0.000 2.480 241 N HA 0.455 5.195 4.740 -0.000 0.000 0.289 241 N C -1.719 173.698 175.510 -0.155 0.000 1.073 241 N CA -0.230 52.696 53.050 -0.206 0.000 0.885 241 N CB 2.380 40.764 38.487 -0.172 0.000 1.421 241 N HN 0.201 nan 8.380 nan 0.000 0.503 242 V N 3.194 123.017 119.914 -0.152 0.000 2.443 242 V HA 0.236 4.356 4.120 -0.000 0.000 0.293 242 V C 0.044 176.062 176.094 -0.126 0.000 1.021 242 V CA -0.866 61.358 62.300 -0.125 0.000 0.848 242 V CB 1.523 33.269 31.823 -0.129 0.000 0.998 242 V HN 0.554 nan 8.190 nan 0.000 0.424 243 K N 4.568 124.907 120.400 -0.102 0.000 2.228 243 K HA 0.325 4.645 4.320 -0.000 0.000 0.284 243 K C -0.790 175.745 176.600 -0.107 0.000 1.088 243 K CA 0.108 56.344 56.287 -0.085 0.000 0.941 243 K CB 0.288 32.752 32.500 -0.060 0.000 1.158 243 K HN 0.462 nan 8.250 nan 0.000 0.438 244 V N 5.369 125.203 119.914 -0.133 0.000 2.304 244 V HA 0.495 4.615 4.120 -0.000 0.000 0.269 244 V C 1.108 177.157 176.094 -0.074 0.000 1.036 244 V CA 0.316 62.503 62.300 -0.187 0.000 0.840 244 V CB -0.044 31.537 31.823 -0.403 0.000 1.036 244 V HN 1.051 nan 8.190 nan 0.000 0.466 245 G N 5.585 114.358 108.800 -0.046 0.000 2.536 245 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.277 245 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.277 245 G C 0.253 175.152 174.900 -0.002 0.000 1.155 245 G CA 0.628 45.726 45.100 -0.003 0.000 0.960 245 G HN 0.669 nan 8.290 nan 0.000 0.544 246 D N 1.971 122.378 120.400 0.011 0.000 2.363 246 D HA 0.568 5.208 4.640 -0.000 0.000 0.214 246 D C 0.699 177.008 176.300 0.016 0.000 1.093 246 D CA 0.915 54.922 54.000 0.011 0.000 0.837 246 D CB 0.774 41.583 40.800 0.015 0.000 0.948 246 D HN 0.778 nan 8.370 nan 0.000 0.507 247 A N 0.446 123.276 122.820 0.016 0.000 2.365 247 A HA 0.479 4.799 4.320 -0.000 0.000 0.318 247 A C -0.536 177.045 177.584 -0.005 0.000 1.091 247 A CA -0.797 51.255 52.037 0.026 0.000 0.763 247 A CB 1.102 20.139 19.000 0.060 0.000 1.248 247 A HN -0.027 nan 8.150 nan 0.000 0.442 248 N N 1.768 120.460 118.700 -0.014 0.000 2.434 248 N HA 0.413 5.153 4.740 -0.000 0.000 0.272 248 N C -1.149 174.318 175.510 -0.073 0.000 1.040 248 N CA 0.042 53.059 53.050 -0.054 0.000 0.956 248 N CB 1.048 39.499 38.487 -0.060 0.000 1.108 248 N HN 0.541 nan 8.380 nan 0.000 0.481 249 L N 2.614 123.768 121.223 -0.115 0.000 2.322 249 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 249 L C 0.323 177.006 176.870 -0.312 0.000 1.014 249 L CA -0.885 53.853 54.840 -0.170 0.000 0.815 249 L CB 1.641 43.653 42.059 -0.079 0.000 1.247 249 L HN 0.216 nan 8.230 nan 0.000 0.421 250 R N 1.890 122.055 120.500 -0.558 0.000 2.410 250 R HA 0.357 4.697 4.340 -0.000 0.000 0.288 250 R C -0.718 175.143 176.300 -0.732 0.000 1.051 250 R CA -0.155 55.536 56.100 -0.681 0.000 1.021 250 R CB 0.862 30.589 30.300 -0.954 0.000 1.032 250 R HN 0.491 nan 8.270 nan 0.000 0.481 251 Q N 1.441 120.874 119.800 -0.612 0.000 2.327 251 Q HA 0.421 4.761 4.340 -0.000 0.000 0.270 251 Q C -1.158 174.389 176.000 -0.754 0.000 1.022 251 Q CA -0.730 54.552 55.803 -0.869 0.000 0.773 251 Q CB 2.473 30.627 28.738 -0.973 0.000 1.251 251 Q HN 0.220 nan 8.270 nan 0.000 0.457 252 V N 4.792 124.360 119.914 -0.576 0.000 2.266 252 V HA 0.416 4.536 4.120 -0.000 0.000 0.271 252 V C -1.017 175.093 176.094 0.026 0.000 1.032 252 V CA -0.395 61.807 62.300 -0.163 0.000 0.806 252 V CB -0.277 31.607 31.823 0.103 0.000 1.052 252 V HN 0.554 nan 8.190 nan 0.000 0.449 253 F N 1.811 121.867 119.950 0.177 0.000 2.575 253 F HA 0.876 5.402 4.527 -0.000 0.000 0.330 253 F C 0.423 176.307 175.800 0.141 0.000 1.056 253 F CA -1.966 56.094 58.000 0.101 0.000 0.964 253 F CB 1.783 40.721 39.000 -0.102 0.000 1.258 253 F HN 0.357 nan 8.300 nan 0.000 0.484 254 A N 0.764 123.799 122.820 0.358 0.000 2.285 254 A HA 0.774 5.094 4.320 -0.000 0.000 0.310 254 A C -0.796 176.962 177.584 0.291 0.000 1.266 254 A CA -0.609 51.630 52.037 0.337 0.000 0.832 254 A CB 0.221 19.424 19.000 0.338 0.000 1.163 254 A HN 0.895 nan 8.150 nan 0.000 0.499 255 A N 3.678 126.685 122.820 0.310 0.000 2.366 255 A HA 0.667 4.987 4.320 -0.000 0.000 0.322 255 A C -0.573 177.207 177.584 0.327 0.000 1.397 255 A CA -0.119 52.054 52.037 0.227 0.000 0.984 255 A CB -0.372 18.715 19.000 0.145 0.000 1.149 255 A HN 0.809 nan 8.150 nan 0.000 0.540 256 L N 1.725 123.113 121.223 0.274 0.000 2.436 256 L HA 0.405 4.745 4.340 -0.000 0.000 0.268 256 L C -0.029 176.967 176.870 0.210 0.000 0.974 256 L CA -0.664 54.328 54.840 0.254 0.000 0.826 256 L CB 2.074 44.241 42.059 0.181 0.000 1.291 256 L HN 0.884 nan 8.230 nan 0.000 0.406 257 D N 2.770 123.287 120.400 0.196 0.000 2.723 257 D HA -0.169 4.470 4.640 -0.000 0.000 0.236 257 D C 0.957 177.328 176.300 0.118 0.000 1.138 257 D CA 1.264 55.346 54.000 0.136 0.000 0.676 257 D CB -0.619 40.243 40.800 0.104 0.000 1.069 257 D HN 1.157 nan 8.370 nan 0.000 0.430 258 G N 0.045 108.948 108.800 0.172 0.000 2.249 258 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.273 258 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.273 258 G C 0.015 174.985 174.900 0.117 0.000 1.036 258 G CA 0.672 45.827 45.100 0.091 0.000 0.824 258 G HN 0.721 nan 8.290 nan 0.000 0.504 259 E N -0.883 119.524 120.200 0.344 0.000 2.308 259 E HA 0.623 4.973 4.350 -0.000 0.000 0.275 259 E C -0.291 176.493 176.600 0.305 0.000 0.890 259 E CA -0.907 55.689 56.400 0.328 0.000 0.754 259 E CB 0.971 30.760 29.700 0.150 0.000 1.207 259 E HN 0.219 nan 8.360 nan 0.000 0.426 260 M N 3.379 123.107 119.600 0.214 0.000 2.181 260 M HA 0.412 4.892 4.480 -0.000 0.000 0.323 260 M C -1.055 175.214 176.300 -0.052 0.000 1.004 260 M CA -0.518 54.757 55.300 -0.041 0.000 0.941 260 M CB 1.727 34.091 32.600 -0.394 0.000 1.579 260 M HN 0.166 nan 8.290 nan 0.000 0.427 261 K N 1.577 121.995 120.400 0.030 0.000 2.378 261 K HA 0.889 5.208 4.320 -0.000 0.000 0.252 261 K C -0.242 176.471 176.600 0.189 0.000 0.931 261 K CA -0.475 55.854 56.287 0.070 0.000 0.794 261 K CB 2.511 35.071 32.500 0.099 0.000 1.181 261 K HN 0.860 nan 8.250 nan 0.000 0.425 262 G N 1.256 110.203 108.800 0.245 0.000 2.441 262 G HA2 0.276 4.236 3.960 -0.000 0.000 0.225 262 G HA3 0.276 4.236 3.960 -0.000 0.000 0.225 262 G C -1.759 173.432 174.900 0.485 0.000 1.200 262 G CA -0.745 44.636 45.100 0.467 0.000 0.947 262 G HN 0.457 nan 8.290 nan 0.000 0.484 263 R N -0.593 120.263 120.500 0.593 0.000 2.651 263 R HA 0.731 5.071 4.340 -0.000 0.000 0.278 263 R C -1.458 175.118 176.300 0.461 0.000 1.010 263 R CA -0.742 55.656 56.100 0.496 0.000 0.896 263 R CB 1.854 32.385 30.300 0.386 0.000 1.211 263 R HN 0.546 nan 8.270 nan 0.000 0.456 264 M N 5.485 125.314 119.600 0.382 0.000 2.190 264 M HA 0.440 4.920 4.480 -0.000 0.000 0.312 264 M C -1.609 174.829 176.300 0.231 0.000 0.990 264 M CA -0.691 54.695 55.300 0.144 0.000 0.927 264 M CB 1.166 33.854 32.600 0.146 0.000 1.571 264 M HN 0.588 nan 8.290 nan 0.000 0.427 265 F N 0.322 120.311 119.950 0.065 0.000 2.629 265 F HA 0.619 5.146 4.527 -0.000 0.000 0.316 265 F C -0.628 175.209 175.800 0.062 0.000 1.081 265 F CA -1.216 56.830 58.000 0.076 0.000 0.954 265 F CB 0.864 39.899 39.000 0.059 0.000 1.337 265 F HN 0.369 nan 8.300 nan 0.000 0.474 266 E N 0.931 121.299 120.200 0.280 0.000 2.351 266 E HA 0.247 4.597 4.350 -0.000 0.000 0.266 266 E C 0.828 177.541 176.600 0.189 0.000 1.031 266 E CA 0.253 56.765 56.400 0.186 0.000 0.911 266 E CB 1.481 31.346 29.700 0.275 0.000 0.986 266 E HN 0.840 nan 8.360 nan 0.000 0.446 267 A N 4.338 127.162 122.820 0.007 0.000 2.042 267 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 267 A C 1.571 179.167 177.584 0.020 0.000 1.167 267 A CA 1.751 53.782 52.037 -0.011 0.000 0.649 267 A CB -0.176 18.781 19.000 -0.073 0.000 0.809 267 A HN 0.561 nan 8.150 nan 0.000 0.457 268 E N -0.879 119.283 120.200 -0.063 0.000 2.364 268 E HA 0.089 4.438 4.350 -0.000 0.000 0.196 268 E C -0.047 176.187 176.600 -0.608 0.000 0.990 268 E CA 0.542 56.737 56.400 -0.343 0.000 0.886 268 E CB 0.176 29.602 29.700 -0.458 0.000 0.866 268 E HN 0.750 nan 8.360 nan 0.000 0.493 269 H N 0.616 119.742 119.070 0.093 0.000 3.092 269 H HA 0.117 4.673 4.556 -0.000 0.000 0.308 269 H C -0.686 174.702 175.328 0.101 0.000 1.047 269 H CA -0.421 55.663 56.048 0.061 0.000 1.466 269 H CB 1.099 30.881 29.762 0.034 0.000 1.597 269 H HN 0.130 nan 8.280 nan 0.000 0.512 270 D N 0.637 121.089 120.400 0.086 0.000 2.363 270 D HA -0.115 4.525 4.640 -0.000 0.000 0.226 270 D C 0.802 177.046 176.300 -0.094 0.000 1.020 270 D CA 0.338 54.284 54.000 -0.089 0.000 0.892 270 D CB 0.341 40.871 40.800 -0.450 0.000 0.900 270 D HN 0.432 nan 8.370 nan 0.000 0.531 271 E N 0.365 120.555 120.200 -0.017 0.000 2.385 271 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 271 E C 0.286 176.879 176.600 -0.012 0.000 1.013 271 E CA 0.165 56.535 56.400 -0.050 0.000 0.866 271 E CB -0.102 29.552 29.700 -0.078 0.000 0.832 271 E HN 0.220 nan 8.360 nan 0.000 0.500 272 R N 1.157 121.695 120.500 0.064 0.000 2.369 272 R HA 0.625 4.965 4.340 -0.000 0.000 0.310 272 R C -0.055 176.348 176.300 0.173 0.000 1.141 272 R CA -0.166 55.983 56.100 0.081 0.000 1.116 272 R CB 1.029 31.373 30.300 0.072 0.000 1.135 272 R HN 0.136 nan 8.270 nan 0.000 0.529 273 G N 1.804 110.700 108.800 0.160 0.000 2.721 273 G HA2 0.627 4.587 3.960 -0.000 0.000 0.296 273 G HA3 0.627 4.587 3.960 -0.000 0.000 0.296 273 G C -1.545 173.475 174.900 0.200 0.000 1.383 273 G CA -0.874 44.371 45.100 0.241 0.000 0.788 273 G HN 0.347 nan 8.290 nan 0.000 0.500 274 L N -2.316 119.051 121.223 0.240 0.000 2.434 274 L HA 0.717 5.057 4.340 -0.000 0.000 0.260 274 L C -1.398 175.634 176.870 0.269 0.000 0.983 274 L CA -1.198 53.772 54.840 0.218 0.000 0.820 274 L CB 2.255 44.410 42.059 0.160 0.000 1.361 274 L HN 0.216 nan 8.230 nan 0.000 0.410 275 D N 1.499 122.051 120.400 0.253 0.000 2.372 275 D HA 0.365 5.005 4.640 -0.000 0.000 0.243 275 D C -1.263 175.205 176.300 0.280 0.000 1.121 275 D CA 0.803 54.956 54.000 0.254 0.000 0.898 275 D CB 1.416 42.341 40.800 0.208 0.000 1.202 275 D HN 0.543 nan 8.370 nan 0.000 0.428 276 F N 0.751 120.734 119.950 0.055 0.000 2.557 276 F HA 0.322 4.849 4.527 -0.000 0.000 0.316 276 F C -0.724 174.963 175.800 -0.188 0.000 1.141 276 F CA -0.406 57.543 58.000 -0.085 0.000 0.922 276 F CB 1.992 40.893 39.000 -0.165 0.000 1.194 276 F HN 0.095 nan 8.300 nan 0.000 0.443 277 T N 4.733 119.002 114.554 -0.476 0.000 2.886 277 T HA 0.878 5.228 4.350 -0.000 0.000 0.292 277 T C -1.427 172.971 174.700 -0.503 0.000 1.012 277 T CA -0.234 61.673 62.100 -0.321 0.000 0.982 277 T CB 1.224 70.014 68.868 -0.129 0.000 1.018 277 T HN 1.016 nan 8.240 nan 0.000 0.451 278 A N 3.117 125.789 122.820 -0.245 0.000 2.566 278 A HA 0.897 5.216 4.320 -0.000 0.000 0.292 278 A C -1.523 176.167 177.584 0.177 0.000 1.112 278 A CA -0.632 51.379 52.037 -0.044 0.000 0.707 278 A CB 1.936 20.984 19.000 0.079 0.000 1.302 278 A HN 0.811 nan 8.150 nan 0.000 0.409 279 V N 1.213 121.236 119.914 0.182 0.000 2.686 279 V HA 0.386 4.506 4.120 -0.000 0.000 0.306 279 V C -0.126 175.779 176.094 -0.316 0.000 1.065 279 V CA -0.778 61.518 62.300 -0.006 0.000 0.894 279 V CB 1.940 33.721 31.823 -0.069 0.000 1.004 279 V HN 0.962 nan 8.190 nan 0.000 0.424 280 K N 3.552 123.391 120.400 -0.935 0.000 2.270 280 K HA 0.287 4.607 4.320 -0.000 0.000 0.276 280 K C 0.486 176.710 176.600 -0.626 0.000 1.023 280 K CA -0.373 55.082 56.287 -1.386 0.000 0.955 280 K CB 0.800 32.230 32.500 -1.784 0.000 0.975 280 K HN 0.909 nan 8.250 nan 0.000 0.471 281 E N 1.980 121.885 120.200 -0.492 0.000 2.436 281 E HA 0.112 4.462 4.350 -0.000 0.000 0.262 281 E C 0.577 177.040 176.600 -0.228 0.000 1.063 281 E CA 0.221 56.462 56.400 -0.265 0.000 0.944 281 E CB 0.429 30.019 29.700 -0.183 0.000 0.950 281 E HN 0.829 nan 8.360 nan 0.000 0.444 282 G N 2.386 111.094 108.800 -0.152 0.000 2.278 282 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.210 282 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.210 282 G C -0.320 174.519 174.900 -0.100 0.000 1.000 282 G CA 0.042 45.072 45.100 -0.116 0.000 0.635 282 G HN 0.499 nan 8.290 nan 0.000 0.495 283 K N 0.573 120.902 120.400 -0.118 0.000 2.397 283 K HA 0.747 5.067 4.320 -0.000 0.000 0.253 283 K C -0.154 176.394 176.600 -0.086 0.000 0.932 283 K CA -0.213 56.019 56.287 -0.090 0.000 0.795 283 K CB 2.557 35.002 32.500 -0.092 0.000 1.159 283 K HN 0.582 nan 8.250 nan 0.000 0.424 284 A N 4.057 126.838 122.820 -0.064 0.000 2.396 284 A HA 0.271 4.590 4.320 -0.000 0.000 0.279 284 A C -0.293 177.258 177.584 -0.054 0.000 1.165 284 A CA -0.156 51.846 52.037 -0.058 0.000 0.824 284 A CB 0.060 19.032 19.000 -0.046 0.000 1.100 284 A HN 0.594 nan 8.150 nan 0.000 0.516 285 R N 1.406 121.870 120.500 -0.060 0.000 2.837 285 R HA 0.536 4.876 4.340 -0.000 0.000 0.271 285 R C -1.866 174.402 176.300 -0.054 0.000 0.993 285 R CA -0.982 55.086 56.100 -0.054 0.000 0.931 285 R CB 1.924 32.189 30.300 -0.058 0.000 1.206 285 R HN 0.550 nan 8.270 nan 0.000 0.474 286 L N 3.233 124.428 121.223 -0.048 0.000 2.366 286 L HA 0.293 4.633 4.340 -0.000 0.000 0.266 286 L C 0.591 177.430 176.870 -0.051 0.000 1.010 286 L CA 0.021 54.831 54.840 -0.049 0.000 0.879 286 L CB 0.868 42.902 42.059 -0.042 0.000 1.228 286 L HN 0.698 nan 8.230 nan 0.000 0.439 287 L N 3.016 124.202 121.223 -0.061 0.000 1.976 287 L HA 0.175 4.515 4.340 -0.000 0.000 0.209 287 L C 0.916 177.750 176.870 -0.060 0.000 1.071 287 L CA 1.360 56.160 54.840 -0.065 0.000 0.746 287 L CB -0.183 41.824 42.059 -0.087 0.000 0.890 287 L HN 0.761 nan 8.230 nan 0.000 0.432 288 A N -1.720 121.061 122.820 -0.065 0.000 2.599 288 A HA 0.608 4.928 4.320 -0.000 0.000 0.290 288 A C -1.487 176.061 177.584 -0.060 0.000 1.101 288 A CA -0.487 51.515 52.037 -0.057 0.000 0.674 288 A CB 1.410 20.378 19.000 -0.053 0.000 1.277 288 A HN -0.179 nan 8.150 nan 0.000 0.419 289 V N 0.824 120.705 119.914 -0.056 0.000 2.459 289 V HA 0.594 4.714 4.120 -0.000 0.000 0.295 289 V C -0.555 175.496 176.094 -0.071 0.000 1.029 289 V CA -0.351 61.910 62.300 -0.065 0.000 0.874 289 V CB 1.275 33.060 31.823 -0.063 0.000 0.985 289 V HN 0.814 nan 8.190 nan 0.000 0.438 290 Q N 5.168 124.919 119.800 -0.081 0.000 2.337 290 Q HA 0.405 4.745 4.340 -0.000 0.000 0.264 290 Q C -2.785 173.143 176.000 -0.120 0.000 1.007 290 Q CA -1.700 54.054 55.803 -0.081 0.000 0.727 290 Q CB 2.757 31.468 28.738 -0.045 0.000 1.256 290 Q HN 0.479 nan 8.270 nan 0.000 0.467 291 P HA 0.096 nan 4.420 nan 0.000 0.274 291 P C -0.368 176.747 177.300 -0.308 0.000 1.256 291 P CA -0.173 62.711 63.100 -0.360 0.000 0.795 291 P CB 0.729 31.920 31.700 -0.848 0.000 1.038 292 A N 0.647 123.325 122.820 -0.237 0.000 2.507 292 A HA 0.435 4.755 4.320 -0.000 0.000 0.270 292 A C -0.324 177.283 177.584 0.039 0.000 1.318 292 A CA -0.033 51.959 52.037 -0.075 0.000 0.924 292 A CB -1.098 17.891 19.000 -0.018 0.000 1.061 292 A HN 0.499 nan 8.150 nan 0.000 0.516 293 F N -3.507 116.445 119.950 0.003 0.000 2.631 293 F HA 0.801 5.327 4.527 -0.000 0.000 0.308 293 F C -1.365 174.502 175.800 0.112 0.000 1.097 293 F CA -2.119 55.914 58.000 0.056 0.000 0.952 293 F CB 1.141 40.159 39.000 0.030 0.000 1.307 293 F HN -0.132 nan 8.300 nan 0.000 0.450 294 I N 2.547 123.327 120.570 0.350 0.000 2.548 294 I HA 0.379 4.549 4.170 -0.000 0.000 0.287 294 I C -1.064 175.119 176.117 0.110 0.000 1.103 294 I CA -0.644 60.765 61.300 0.182 0.000 1.049 294 I CB 1.759 39.784 38.000 0.043 0.000 1.232 294 I HN 0.811 nan 8.210 nan 0.000 0.429 295 K N 5.939 126.315 120.400 -0.040 0.000 2.326 295 K HA 0.661 4.981 4.320 -0.000 0.000 0.275 295 K C -0.134 176.289 176.600 -0.295 0.000 1.018 295 K CA -0.255 55.703 56.287 -0.548 0.000 0.962 295 K CB 0.937 33.162 32.500 -0.459 0.000 0.953 295 K HN 0.776 nan 8.250 nan 0.000 0.475 296 A N 2.718 125.341 122.820 -0.328 0.000 2.520 296 A HA 0.347 4.667 4.320 -0.000 0.000 0.245 296 A C 0.942 178.451 177.584 -0.125 0.000 1.072 296 A CA 0.633 52.572 52.037 -0.164 0.000 0.761 296 A CB -0.479 18.440 19.000 -0.134 0.000 1.004 296 A HN 1.088 nan 8.150 nan 0.000 0.499 297 G N 1.553 110.306 108.800 -0.077 0.000 2.198 297 G HA2 0.171 4.131 3.960 -0.000 0.000 0.257 297 G HA3 0.171 4.131 3.960 -0.000 0.000 0.257 297 G C 0.565 175.435 174.900 -0.051 0.000 1.042 297 G CA 0.576 45.643 45.100 -0.055 0.000 0.791 297 G HN 1.990 nan 8.290 nan 0.000 0.502 298 G N -1.429 107.341 108.800 -0.051 0.000 2.630 298 G HA2 0.685 4.645 3.960 -0.000 0.000 0.296 298 G HA3 0.685 4.645 3.960 -0.000 0.000 0.296 298 G C -1.095 173.793 174.900 -0.020 0.000 1.285 298 G CA -0.481 44.600 45.100 -0.033 0.000 0.958 298 G HN 0.167 nan 8.290 nan 0.000 0.479 299 E N -0.156 120.038 120.200 -0.009 0.000 2.199 299 E HA 0.581 4.931 4.350 -0.000 0.000 0.265 299 E C -1.205 175.393 176.600 -0.004 0.000 0.882 299 E CA -0.412 55.983 56.400 -0.008 0.000 0.759 299 E CB 1.988 31.685 29.700 -0.005 0.000 1.148 299 E HN 0.386 nan 8.360 nan 0.000 0.412 300 S N 2.782 118.473 115.700 -0.014 0.000 2.533 300 S HA 0.182 4.651 4.470 -0.000 0.000 0.271 300 S C -1.226 173.354 174.600 -0.034 0.000 1.143 300 S CA -0.703 57.483 58.200 -0.022 0.000 0.891 300 S CB 1.531 64.709 63.200 -0.036 0.000 1.105 300 S HN 0.416 nan 8.310 nan 0.000 0.468 301 E N 4.055 124.236 120.200 -0.033 0.000 2.105 301 E HA 0.323 4.673 4.350 -0.000 0.000 0.285 301 E C -0.865 175.701 176.600 -0.056 0.000 1.055 301 E CA -0.064 56.316 56.400 -0.035 0.000 0.843 301 E CB 0.233 29.920 29.700 -0.022 0.000 1.067 301 E HN 0.609 nan 8.360 nan 0.000 0.398 302 I N 3.052 123.587 120.570 -0.059 0.000 2.441 302 I HA 0.197 4.367 4.170 -0.000 0.000 0.295 302 I C 0.398 176.479 176.117 -0.061 0.000 0.994 302 I CA -0.623 60.632 61.300 -0.075 0.000 1.144 302 I CB 2.098 40.051 38.000 -0.079 0.000 1.314 302 I HN 0.327 nan 8.210 nan 0.000 0.445 303 T N 6.372 120.886 114.554 -0.066 0.000 2.824 303 T HA 0.533 4.883 4.350 -0.000 0.000 0.282 303 T C -0.895 173.765 174.700 -0.067 0.000 0.993 303 T CA -0.693 61.370 62.100 -0.060 0.000 0.967 303 T CB 0.947 69.781 68.868 -0.057 0.000 0.960 303 T HN 0.211 nan 8.240 nan 0.000 0.441 304 L N 5.078 126.263 121.223 -0.064 0.000 2.289 304 L HA 0.611 4.951 4.340 -0.000 0.000 0.285 304 L C -0.053 176.770 176.870 -0.077 0.000 1.049 304 L CA -0.723 54.077 54.840 -0.066 0.000 0.804 304 L CB 1.369 43.394 42.059 -0.057 0.000 1.195 304 L HN 0.578 nan 8.230 nan 0.000 0.428 305 V N 1.734 121.596 119.914 -0.086 0.000 2.581 305 V HA 1.001 5.121 4.120 -0.000 0.000 0.303 305 V C 0.458 176.495 176.094 -0.096 0.000 1.041 305 V CA -0.349 61.886 62.300 -0.108 0.000 0.907 305 V CB 1.537 33.279 31.823 -0.135 0.000 0.994 305 V HN 1.024 nan 8.190 nan 0.000 0.442 306 G N 1.967 110.707 108.800 -0.100 0.000 2.325 306 G HA2 0.492 4.452 3.960 -0.000 0.000 0.295 306 G HA3 0.492 4.452 3.960 -0.000 0.000 0.295 306 G C -1.397 173.452 174.900 -0.085 0.000 1.274 306 G CA 0.007 45.055 45.100 -0.086 0.000 0.857 306 G HN 0.809 nan 8.290 nan 0.000 0.499 307 S N -1.084 114.568 115.700 -0.080 0.000 2.532 307 S HA 0.599 5.068 4.470 -0.000 0.000 0.299 307 S C 0.708 175.263 174.600 -0.075 0.000 1.105 307 S CA 1.095 59.243 58.200 -0.086 0.000 1.018 307 S CB 0.844 63.978 63.200 -0.110 0.000 1.021 307 S HN 2.673 nan 8.310 nan 0.000 0.483 308 G N 3.886 112.644 108.800 -0.069 0.000 2.272 308 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.280 308 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.280 308 G C -0.206 174.664 174.900 -0.049 0.000 1.067 308 G CA 0.186 45.251 45.100 -0.058 0.000 0.902 308 G HN 0.784 nan 8.290 nan 0.000 0.500 309 L N 0.132 121.325 121.223 -0.049 0.000 2.369 309 L HA 0.570 4.910 4.340 -0.000 0.000 0.279 309 L C 0.715 177.563 176.870 -0.037 0.000 1.108 309 L CA 0.345 55.159 54.840 -0.044 0.000 0.852 309 L CB 1.038 43.068 42.059 -0.047 0.000 1.169 309 L HN 0.521 nan 8.230 nan 0.000 0.452 310 A N 3.034 125.834 122.820 -0.033 0.000 2.459 310 A HA 0.905 5.224 4.320 -0.000 0.000 0.296 310 A C -0.087 177.482 177.584 -0.025 0.000 1.039 310 A CA 0.175 52.196 52.037 -0.028 0.000 0.698 310 A CB 1.816 20.801 19.000 -0.026 0.000 1.261 310 A HN 0.881 nan 8.150 nan 0.000 0.405 311 G N 0.851 109.638 108.800 -0.023 0.000 2.331 311 G HA2 0.277 4.236 3.960 -0.000 0.000 0.402 311 G HA3 0.277 4.236 3.960 -0.000 0.000 0.402 311 G C -1.014 173.874 174.900 -0.020 0.000 1.275 311 G CA -0.369 44.719 45.100 -0.020 0.000 1.003 311 G HN 0.909 nan 8.290 nan 0.000 0.500 312 K N 0.830 121.219 120.400 -0.019 0.000 2.185 312 K HA 0.588 4.907 4.320 -0.000 0.000 0.269 312 K C -2.531 174.057 176.600 -0.020 0.000 0.987 312 K CA -1.840 54.436 56.287 -0.018 0.000 0.865 312 K CB 1.701 34.192 32.500 -0.016 0.000 1.090 312 K HN 0.175 nan 8.250 nan 0.000 0.450 313 P HA 0.108 nan 4.420 nan 0.000 0.276 313 P C -1.342 175.946 177.300 -0.021 0.000 1.243 313 P CA -0.133 62.953 63.100 -0.023 0.000 0.768 313 P CB 0.705 32.389 31.700 -0.026 0.000 0.856 314 D N 2.796 123.184 120.400 -0.020 0.000 2.492 314 D HA 0.211 4.851 4.640 -0.000 0.000 0.248 314 D C 0.256 176.545 176.300 -0.018 0.000 1.101 314 D CA -0.384 53.606 54.000 -0.017 0.000 0.840 314 D CB 0.927 41.718 40.800 -0.015 0.000 1.209 314 D HN 0.167 nan 8.370 nan 0.000 0.524 315 L N 2.927 124.139 121.223 -0.018 0.000 2.653 315 L HA 0.447 4.787 4.340 -0.000 0.000 0.231 315 L C 1.165 178.028 176.870 -0.012 0.000 1.153 315 L CA -0.074 54.756 54.840 -0.017 0.000 0.933 315 L CB -0.641 41.406 42.059 -0.020 0.000 1.175 315 L HN 0.651 nan 8.230 nan 0.000 0.473 316 G N 0.459 109.252 108.800 -0.010 0.000 2.712 316 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.683 316 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.683 316 G C -0.147 174.750 174.900 -0.006 0.000 1.320 316 G CA -0.607 44.489 45.100 -0.007 0.000 0.847 316 G HN 0.328 nan 8.290 nan 0.000 0.553 317 A N -0.010 122.807 122.820 -0.004 0.000 2.545 317 A HA 0.610 4.930 4.320 -0.000 0.000 0.253 317 A C 2.083 179.665 177.584 -0.004 0.000 1.074 317 A CA 2.375 54.409 52.037 -0.004 0.000 0.760 317 A CB -0.456 18.543 19.000 -0.002 0.000 1.005 317 A HN 2.967 nan 8.150 nan 0.000 0.506 318 G N 1.137 109.933 108.800 -0.007 0.000 2.175 318 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.244 318 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.244 318 G C 0.119 175.013 174.900 -0.011 0.000 0.982 318 G CA 0.135 45.230 45.100 -0.009 0.000 0.641 318 G HN 1.547 nan 8.290 nan 0.000 0.527 319 V N 0.942 120.850 119.914 -0.010 0.000 2.417 319 V HA 0.645 4.764 4.120 -0.000 0.000 0.291 319 V C 0.125 176.211 176.094 -0.014 0.000 1.024 319 V CA -0.648 61.645 62.300 -0.013 0.000 0.861 319 V CB 1.831 33.648 31.823 -0.011 0.000 0.985 319 V HN 0.387 nan 8.190 nan 0.000 0.436 320 E N 3.535 123.726 120.200 -0.015 0.000 2.158 320 E HA 0.496 4.846 4.350 -0.000 0.000 0.271 320 E C -1.332 175.258 176.600 -0.016 0.000 0.911 320 E CA -0.641 55.750 56.400 -0.015 0.000 0.767 320 E CB 2.024 31.716 29.700 -0.014 0.000 1.120 320 E HN 0.502 nan 8.360 nan 0.000 0.405 321 V N 5.207 125.112 119.914 -0.016 0.000 2.356 321 V HA 0.029 4.148 4.120 -0.000 0.000 0.258 321 V C 1.440 177.525 176.094 -0.015 0.000 1.065 321 V CA 0.360 62.650 62.300 -0.018 0.000 0.935 321 V CB 0.310 32.122 31.823 -0.018 0.000 1.061 321 V HN 0.906 nan 8.190 nan 0.000 0.484 322 T N 0.335 114.880 114.554 -0.015 0.000 3.043 322 T HA 0.124 4.474 4.350 -0.000 0.000 0.263 322 T C 0.547 175.240 174.700 -0.012 0.000 1.094 322 T CA 0.428 62.520 62.100 -0.013 0.000 1.127 322 T CB 0.354 69.215 68.868 -0.012 0.000 0.905 322 T HN 0.540 nan 8.240 nan 0.000 0.490 323 E N 0.741 120.933 120.200 -0.013 0.000 2.539 323 E HA 0.244 4.594 4.350 -0.000 0.000 0.332 323 E C -1.710 174.881 176.600 -0.015 0.000 0.910 323 E CA -0.281 56.111 56.400 -0.013 0.000 0.785 323 E CB 2.487 32.180 29.700 -0.010 0.000 1.406 323 E HN 0.110 nan 8.360 nan 0.000 0.391 324 V N 6.423 126.328 119.914 -0.015 0.000 2.341 324 V HA 0.021 4.141 4.120 -0.000 0.000 0.248 324 V C 1.859 177.943 176.094 -0.016 0.000 1.107 324 V CA 0.367 62.657 62.300 -0.018 0.000 1.069 324 V CB -0.229 31.583 31.823 -0.018 0.000 1.177 324 V HN 0.659 nan 8.190 nan 0.000 0.492 325 L N 2.525 123.739 121.223 -0.016 0.000 2.353 325 L HA 0.054 4.394 4.340 -0.000 0.000 0.220 325 L C 0.991 177.853 176.870 -0.014 0.000 1.133 325 L CA 1.204 56.036 54.840 -0.014 0.000 0.798 325 L CB -0.178 41.873 42.059 -0.013 0.000 0.922 325 L HN 0.738 nan 8.230 nan 0.000 0.445 326 E N -0.388 119.801 120.200 -0.018 0.000 2.431 326 E HA 0.181 4.531 4.350 -0.000 0.000 0.287 326 E C -1.301 175.285 176.600 -0.024 0.000 1.032 326 E CA -0.497 55.892 56.400 -0.019 0.000 0.839 326 E CB 1.224 30.912 29.700 -0.020 0.000 1.218 326 E HN 0.031 nan 8.360 nan 0.000 0.424 327 Q N 3.170 122.957 119.800 -0.023 0.000 3.147 327 Q HA 0.316 4.656 4.340 -0.000 0.000 0.224 327 Q C -1.545 174.440 176.000 -0.026 0.000 0.901 327 Q CA -0.368 55.419 55.803 -0.026 0.000 0.729 327 Q CB 1.189 29.913 28.738 -0.024 0.000 1.363 327 Q HN 0.628 nan 8.270 nan 0.000 0.467 328 T N -0.871 113.665 114.554 -0.031 0.000 2.948 328 T HA 0.561 4.910 4.350 -0.000 0.000 0.285 328 T C -1.761 172.916 174.700 -0.038 0.000 1.019 328 T CA -1.681 60.400 62.100 -0.031 0.000 1.013 328 T CB 1.206 70.055 68.868 -0.031 0.000 1.117 328 T HN 0.287 nan 8.240 nan 0.000 0.533 329 P HA -0.062 nan 4.420 nan 0.000 0.222 329 P C 1.176 178.443 177.300 -0.054 0.000 1.147 329 P CA 1.223 64.297 63.100 -0.043 0.000 0.790 329 P CB -0.198 31.478 31.700 -0.040 0.000 0.780 330 T N -4.670 109.849 114.554 -0.059 0.000 3.010 330 T HA 0.356 4.706 4.350 -0.000 0.000 0.257 330 T C 0.402 175.049 174.700 -0.089 0.000 1.020 330 T CA -0.285 61.769 62.100 -0.076 0.000 0.938 330 T CB 0.022 68.841 68.868 -0.080 0.000 1.049 330 T HN -0.001 nan 8.240 nan 0.000 0.522 331 L N 1.450 122.628 121.223 -0.074 0.000 2.562 331 L HA 0.606 4.946 4.340 -0.000 0.000 0.266 331 L C -1.949 174.886 176.870 -0.058 0.000 0.949 331 L CA -0.910 53.884 54.840 -0.076 0.000 0.879 331 L CB 2.309 44.319 42.059 -0.083 0.000 1.278 331 L HN -0.076 nan 8.230 nan 0.000 0.404 332 V N 4.922 124.803 119.914 -0.056 0.000 2.376 332 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 332 V C -0.147 175.921 176.094 -0.044 0.000 1.015 332 V CA -0.528 61.745 62.300 -0.045 0.000 0.834 332 V CB 1.692 33.490 31.823 -0.043 0.000 1.001 332 V HN 0.675 nan 8.190 nan 0.000 0.428 333 R N 4.880 125.357 120.500 -0.038 0.000 2.312 333 R HA 0.841 5.181 4.340 -0.000 0.000 0.311 333 R C -1.023 175.259 176.300 -0.030 0.000 1.004 333 R CA -0.547 55.532 56.100 -0.035 0.000 0.902 333 R CB 1.570 31.853 30.300 -0.029 0.000 1.073 333 R HN 0.672 nan 8.270 nan 0.000 0.457 334 L N -0.755 120.449 121.223 -0.032 0.000 2.479 334 L HA 0.678 5.018 4.340 -0.000 0.000 0.255 334 L C -1.104 175.749 176.870 -0.027 0.000 1.026 334 L CA -1.215 53.608 54.840 -0.028 0.000 0.842 334 L CB 1.342 43.384 42.059 -0.029 0.000 1.444 334 L HN 0.176 nan 8.230 nan 0.000 0.409 335 K N 0.859 121.245 120.400 -0.022 0.000 2.185 335 K HA 0.917 5.237 4.320 -0.000 0.000 0.269 335 K C -0.899 175.688 176.600 -0.022 0.000 0.987 335 K CA 0.144 56.419 56.287 -0.021 0.000 0.865 335 K CB 1.698 34.189 32.500 -0.015 0.000 1.090 335 K HN 1.030 nan 8.250 nan 0.000 0.450 336 A N 3.683 126.488 122.820 -0.024 0.000 2.430 336 A HA 0.832 5.152 4.320 -0.000 0.000 0.300 336 A C -1.313 176.258 177.584 -0.021 0.000 1.124 336 A CA -0.795 51.228 52.037 -0.024 0.000 0.766 336 A CB 1.401 20.383 19.000 -0.029 0.000 1.328 336 A HN 0.701 nan 8.150 nan 0.000 0.424 337 R N 0.296 120.784 120.500 -0.019 0.000 2.522 337 R HA 0.605 4.945 4.340 -0.000 0.000 0.283 337 R C -1.135 175.152 176.300 -0.020 0.000 1.074 337 R CA -0.289 55.800 56.100 -0.019 0.000 0.925 337 R CB 1.826 32.116 30.300 -0.016 0.000 1.205 337 R HN 1.120 nan 8.270 nan 0.000 0.436 338 A N 2.857 125.662 122.820 -0.025 0.000 2.305 338 A HA 0.748 5.068 4.320 -0.000 0.000 0.322 338 A C -0.256 177.309 177.584 -0.031 0.000 1.187 338 A CA -0.434 51.586 52.037 -0.028 0.000 0.825 338 A CB 1.323 20.301 19.000 -0.036 0.000 1.164 338 A HN 0.844 nan 8.150 nan 0.000 0.498 339 A N 1.155 123.960 122.820 -0.026 0.000 2.407 339 A HA 0.513 4.833 4.320 -0.000 0.000 0.248 339 A C 1.402 178.967 177.584 -0.032 0.000 1.082 339 A CA 0.256 52.278 52.037 -0.025 0.000 0.785 339 A CB -0.033 18.956 19.000 -0.018 0.000 1.020 339 A HN 2.018 nan 8.150 nan 0.000 0.489 340 A N 0.678 123.480 122.820 -0.031 0.000 2.172 340 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 340 A C 1.430 178.996 177.584 -0.030 0.000 1.154 340 A CA 2.057 54.072 52.037 -0.036 0.000 0.701 340 A CB -0.456 18.527 19.000 -0.028 0.000 0.789 340 A HN 0.915 nan 8.150 nan 0.000 0.465 341 D N -0.916 119.470 120.400 -0.023 0.000 2.367 341 D HA 0.335 4.975 4.640 -0.000 0.000 0.207 341 D C 0.841 177.132 176.300 -0.015 0.000 1.034 341 D CA 0.529 54.520 54.000 -0.016 0.000 0.861 341 D CB -0.075 40.718 40.800 -0.012 0.000 0.943 341 D HN 0.361 nan 8.370 nan 0.000 0.515 342 A N 1.300 124.109 122.820 -0.019 0.000 2.561 342 A HA 0.039 4.359 4.320 -0.000 0.000 0.251 342 A C 0.352 177.930 177.584 -0.010 0.000 1.062 342 A CA 0.148 52.176 52.037 -0.015 0.000 0.761 342 A CB 0.177 19.166 19.000 -0.019 0.000 0.986 342 A HN 0.022 nan 8.150 nan 0.000 0.510 343 K N 3.720 124.120 120.400 -0.001 0.000 2.401 343 K HA 0.178 4.498 4.320 -0.000 0.000 0.278 343 K C -2.325 174.284 176.600 0.016 0.000 1.018 343 K CA -1.483 54.808 56.287 0.007 0.000 0.981 343 K CB 0.373 32.878 32.500 0.009 0.000 0.933 343 K HN 0.543 nan 8.250 nan 0.000 0.477 344 P HA 0.177 nan 4.420 nan 0.000 0.271 344 P C -0.017 177.312 177.300 0.048 0.000 1.216 344 P CA 0.037 63.168 63.100 0.051 0.000 0.771 344 P CB 0.884 32.623 31.700 0.066 0.000 0.864 345 G N 1.660 110.492 108.800 0.053 0.000 2.336 345 G HA2 0.084 4.043 3.960 -0.000 0.000 0.300 345 G HA3 0.084 4.043 3.960 -0.000 0.000 0.300 345 G C -1.582 173.336 174.900 0.031 0.000 1.375 345 G CA -0.732 44.391 45.100 0.037 0.000 0.885 345 G HN 0.431 nan 8.290 nan 0.000 0.599 346 Q N 0.090 119.900 119.800 0.016 0.000 2.299 346 Q HA 0.467 4.807 4.340 -0.000 0.000 0.246 346 Q C -0.162 175.842 176.000 0.007 0.000 0.935 346 Q CA -0.100 55.708 55.803 0.008 0.000 0.887 346 Q CB 1.420 30.154 28.738 -0.006 0.000 1.223 346 Q HN 0.430 nan 8.270 nan 0.000 0.439 347 R N 1.716 122.218 120.500 0.004 0.000 2.534 347 R HA 0.265 4.605 4.340 -0.000 0.000 0.301 347 R C -0.355 175.941 176.300 -0.006 0.000 0.961 347 R CA -0.772 55.328 56.100 0.000 0.000 0.871 347 R CB 1.268 31.569 30.300 0.002 0.000 1.170 347 R HN 0.490 nan 8.270 nan 0.000 0.446 348 E N 3.079 123.275 120.200 -0.007 0.000 2.104 348 E HA 0.104 4.454 4.350 -0.000 0.000 0.278 348 E C -0.267 176.325 176.600 -0.014 0.000 1.127 348 E CA -0.262 56.132 56.400 -0.011 0.000 0.897 348 E CB 0.768 30.462 29.700 -0.009 0.000 1.043 348 E HN 0.210 nan 8.360 nan 0.000 0.410 349 V N 2.430 122.333 119.914 -0.018 0.000 2.924 349 V HA 0.490 4.609 4.120 -0.000 0.000 0.305 349 V C 0.445 176.525 176.094 -0.022 0.000 1.073 349 V CA -0.085 62.202 62.300 -0.022 0.000 1.098 349 V CB 1.328 33.134 31.823 -0.028 0.000 1.000 349 V HN 0.747 nan 8.190 nan 0.000 0.484 350 A N 3.424 126.230 122.820 -0.023 0.000 2.574 350 A HA 0.783 5.103 4.320 -0.000 0.000 0.297 350 A C -1.329 176.240 177.584 -0.025 0.000 1.062 350 A CA -0.472 51.551 52.037 -0.023 0.000 0.686 350 A CB 2.138 21.127 19.000 -0.019 0.000 1.285 350 A HN 0.647 nan 8.150 nan 0.000 0.403 351 V N 2.623 122.521 119.914 -0.027 0.000 2.327 351 V HA 0.632 4.752 4.120 -0.000 0.000 0.272 351 V C 0.969 177.048 176.094 -0.025 0.000 1.019 351 V CA 0.659 62.943 62.300 -0.027 0.000 0.814 351 V CB -0.179 31.625 31.823 -0.032 0.000 1.040 351 V HN 2.481 nan 8.190 nan 0.000 0.440 352 G N 4.917 113.704 108.800 -0.022 0.000 2.527 352 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.262 352 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.262 352 G C 0.922 175.811 174.900 -0.018 0.000 1.153 352 G CA 0.744 45.833 45.100 -0.019 0.000 0.954 352 G HN 1.112 nan 8.290 nan 0.000 0.552 353 T N -0.229 114.314 114.554 -0.018 0.000 3.065 353 T HA 0.504 4.854 4.350 -0.000 0.000 0.252 353 T C 1.368 176.056 174.700 -0.019 0.000 1.099 353 T CA 0.576 62.666 62.100 -0.017 0.000 1.063 353 T CB 0.100 68.959 68.868 -0.015 0.000 0.948 353 T HN 0.536 nan 8.240 nan 0.000 0.506 354 L N 2.409 123.619 121.223 -0.022 0.000 2.433 354 L HA 0.292 4.632 4.340 -0.000 0.000 0.275 354 L C 0.478 177.333 176.870 -0.024 0.000 1.128 354 L CA 0.057 54.882 54.840 -0.025 0.000 0.875 354 L CB 0.350 42.391 42.059 -0.030 0.000 1.171 354 L HN 0.126 nan 8.230 nan 0.000 0.463 355 K N 1.894 122.281 120.400 -0.022 0.000 2.316 355 K HA 0.749 5.069 4.320 -0.000 0.000 0.234 355 K C 0.525 177.112 176.600 -0.022 0.000 1.054 355 K CA -0.106 56.168 56.287 -0.020 0.000 0.879 355 K CB 2.080 34.571 32.500 -0.016 0.000 1.252 355 K HN 0.618 nan 8.250 nan 0.000 0.471 356 G N -0.684 108.103 108.800 -0.021 0.000 3.675 356 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.206 356 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.206 356 G C -0.363 174.523 174.900 -0.023 0.000 1.086 356 G CA 0.103 45.190 45.100 -0.021 0.000 0.894 356 G HN 0.433 nan 8.290 nan 0.000 0.412 357 V N -0.113 119.785 119.914 -0.027 0.000 2.850 357 V HA 0.881 5.001 4.120 -0.000 0.000 0.315 357 V C -0.574 175.504 176.094 -0.027 0.000 1.064 357 V CA -1.399 60.883 62.300 -0.030 0.000 0.979 357 V CB 1.748 33.549 31.823 -0.037 0.000 1.039 357 V HN 0.213 nan 8.190 nan 0.000 0.452 358 N N 1.574 120.256 118.700 -0.029 0.000 2.384 358 N HA 0.717 5.457 4.740 -0.000 0.000 0.301 358 N C -1.380 174.116 175.510 -0.023 0.000 1.133 358 N CA -0.436 52.599 53.050 -0.025 0.000 0.853 358 N CB 2.235 40.707 38.487 -0.025 0.000 1.241 358 N HN 0.750 nan 8.380 nan 0.000 0.502 359 L N 1.146 122.362 121.223 -0.012 0.000 2.349 359 L HA 0.646 4.986 4.340 -0.000 0.000 0.278 359 L C -0.638 176.250 176.870 0.029 0.000 0.996 359 L CA -0.798 54.043 54.840 0.002 0.000 0.825 359 L CB 1.123 43.179 42.059 -0.005 0.000 1.243 359 L HN 0.649 nan 8.230 nan 0.000 0.412 360 A N 5.322 128.179 122.820 0.062 0.000 2.302 360 A HA 0.617 4.937 4.320 -0.000 0.000 0.295 360 A C -0.617 177.075 177.584 0.179 0.000 1.235 360 A CA -0.384 51.706 52.037 0.087 0.000 0.876 360 A CB 0.225 19.252 19.000 0.045 0.000 1.133 360 A HN 0.510 nan 8.150 nan 0.000 0.533 361 V N 4.540 124.537 119.914 0.138 0.000 2.394 361 V HA 0.506 4.626 4.120 -0.000 0.000 0.282 361 V C -0.386 175.821 176.094 0.189 0.000 1.031 361 V CA -0.173 62.208 62.300 0.135 0.000 0.881 361 V CB 0.333 32.188 31.823 0.053 0.000 0.982 361 V HN 0.854 nan 8.190 nan 0.000 0.451 362 Y N 1.986 122.303 120.300 0.028 0.000 2.581 362 Y HA 0.733 5.283 4.550 -0.000 0.000 0.345 362 Y C 0.329 176.237 175.900 0.014 0.000 1.036 362 Y CA -1.124 56.982 58.100 0.011 0.000 1.042 362 Y CB 1.650 40.104 38.460 -0.010 0.000 1.289 362 Y HN 0.536 nan 8.280 nan 0.000 0.471 363 D N 0.618 121.038 120.400 0.034 0.000 2.490 363 D HA 0.124 4.764 4.640 -0.000 0.000 0.244 363 D C -0.582 175.737 176.300 0.032 0.000 0.979 363 D CA 0.631 54.598 54.000 -0.054 0.000 0.924 363 D CB 0.272 41.071 40.800 -0.003 0.000 1.075 363 D HN 0.644 nan 8.370 nan 0.000 0.488 364 K N -0.311 120.208 120.400 0.199 0.000 2.527 364 K HA 0.597 4.917 4.320 -0.000 0.000 0.260 364 K C -1.386 175.338 176.600 0.207 0.000 0.937 364 K CA -1.016 55.390 56.287 0.198 0.000 0.826 364 K CB 2.556 35.113 32.500 0.094 0.000 1.359 364 K HN -0.170 nan 8.250 nan 0.000 0.434 365 V N 2.422 122.420 119.914 0.141 0.000 2.461 365 V HA 0.128 4.247 4.120 -0.000 0.000 0.275 365 V C 0.872 176.991 176.094 0.042 0.000 1.047 365 V CA -0.124 62.197 62.300 0.035 0.000 0.955 365 V CB 0.966 32.769 31.823 -0.034 0.000 0.988 365 V HN 1.042 nan 8.190 nan 0.000 0.471 366 E N 2.852 123.083 120.200 0.051 0.000 2.175 366 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 366 E C 0.520 177.145 176.600 0.042 0.000 0.934 366 E CA 0.212 56.641 56.400 0.049 0.000 0.870 366 E CB 0.640 30.378 29.700 0.062 0.000 0.838 366 E HN 0.796 nan 8.360 nan 0.000 0.474 367 E N -0.143 120.104 120.200 0.078 0.000 2.317 367 E HA 0.390 4.740 4.350 -0.000 0.000 0.270 367 E C -1.715 174.959 176.600 0.125 0.000 0.885 367 E CA -0.856 55.582 56.400 0.063 0.000 0.760 367 E CB 2.093 31.799 29.700 0.012 0.000 1.227 367 E HN -0.087 nan 8.360 nan 0.000 0.434 368 V N 3.781 123.741 119.914 0.076 0.000 2.588 368 V HA 0.516 4.636 4.120 -0.000 0.000 0.304 368 V C -0.668 175.491 176.094 0.108 0.000 1.042 368 V CA -0.892 61.471 62.300 0.106 0.000 0.877 368 V CB 1.814 33.648 31.823 0.018 0.000 0.996 368 V HN 0.646 nan 8.190 nan 0.000 0.425 369 K N 3.119 123.639 120.400 0.200 0.000 2.345 369 K HA 0.672 4.992 4.320 -0.000 0.000 0.255 369 K C -1.156 175.583 176.600 0.233 0.000 0.934 369 K CA -0.760 55.639 56.287 0.187 0.000 0.801 369 K CB 2.602 35.237 32.500 0.227 0.000 1.137 369 K HN 0.425 nan 8.250 nan 0.000 0.424 370 V N 3.443 123.483 119.914 0.210 0.000 2.488 370 V HA 0.167 4.287 4.120 -0.000 0.000 0.277 370 V C -0.180 176.096 176.094 0.303 0.000 1.046 370 V CA -0.565 61.912 62.300 0.296 0.000 0.986 370 V CB 1.305 33.284 31.823 0.261 0.000 0.989 370 V HN 0.445 nan 8.190 nan 0.000 0.475 371 V N 8.073 128.188 119.914 0.334 0.000 2.444 371 V HA 0.419 4.539 4.120 -0.000 0.000 0.294 371 V C -2.127 174.102 176.094 0.225 0.000 1.022 371 V CA -1.651 60.804 62.300 0.259 0.000 0.850 371 V CB 2.185 34.155 31.823 0.246 0.000 0.992 371 V HN 0.752 nan 8.190 nan 0.000 0.426 372 P HA 0.234 nan 4.420 nan 0.000 0.277 372 P C 0.421 177.874 177.300 0.255 0.000 1.240 372 P CA -0.239 62.968 63.100 0.178 0.000 0.798 372 P CB 1.760 33.505 31.700 0.074 0.000 0.979 373 A N 2.707 125.659 122.820 0.219 0.000 1.930 373 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 373 A C 0.684 178.444 177.584 0.293 0.000 1.175 373 A CA 1.292 53.468 52.037 0.230 0.000 0.627 373 A CB -0.715 18.397 19.000 0.188 0.000 0.815 373 A HN 0.587 nan 8.150 nan 0.000 0.443 374 F N -0.264 119.737 119.950 0.085 0.000 2.569 374 F HA 0.551 5.078 4.527 -0.000 0.000 0.312 374 F C -0.215 175.584 175.800 -0.001 0.000 1.109 374 F CA -0.293 57.716 58.000 0.015 0.000 0.919 374 F CB 1.948 40.929 39.000 -0.033 0.000 1.211 374 F HN 0.135 nan 8.300 nan 0.000 0.446 375 S N 5.806 121.000 115.700 -0.843 0.000 2.615 375 S HA 0.755 5.225 4.470 -0.000 0.000 0.269 375 S C -2.019 172.136 174.600 -0.742 0.000 1.161 375 S CA -0.945 56.892 58.200 -0.606 0.000 0.817 375 S CB 1.858 64.903 63.200 -0.259 0.000 1.131 375 S HN 0.482 nan 8.310 nan 0.000 0.467 376 I N 1.621 121.923 120.570 -0.447 0.000 2.389 376 I HA 0.664 4.834 4.170 -0.000 0.000 0.288 376 I C 0.320 176.313 176.117 -0.206 0.000 0.999 376 I CA -0.568 60.532 61.300 -0.333 0.000 1.129 376 I CB 0.945 38.806 38.000 -0.232 0.000 1.288 376 I HN 1.021 nan 8.210 nan 0.000 0.444 377 A N 7.906 130.630 122.820 -0.160 0.000 2.320 377 A HA 0.901 5.221 4.320 -0.000 0.000 0.334 377 A C -0.204 177.352 177.584 -0.046 0.000 1.147 377 A CA -0.663 51.335 52.037 -0.065 0.000 0.820 377 A CB 1.188 20.199 19.000 0.019 0.000 1.218 377 A HN 0.735 nan 8.150 nan 0.000 0.482 378 R N 1.258 121.743 120.500 -0.024 0.000 2.628 378 R HA 0.503 4.843 4.340 -0.000 0.000 0.288 378 R C -0.341 175.949 176.300 -0.017 0.000 0.980 378 R CA -0.657 55.419 56.100 -0.040 0.000 0.891 378 R CB 1.692 31.941 30.300 -0.085 0.000 1.188 378 R HN 0.839 nan 8.270 nan 0.000 0.450 379 I N -0.970 119.589 120.570 -0.018 0.000 3.060 379 I HA 0.684 4.854 4.170 -0.000 0.000 0.285 379 I C 0.333 176.426 176.117 -0.039 0.000 1.190 379 I CA 0.020 61.316 61.300 -0.007 0.000 1.363 379 I CB 0.699 38.702 38.000 0.004 0.000 1.396 379 I HN 0.724 nan 8.210 nan 0.000 0.607 380 G N 1.808 110.595 108.800 -0.022 0.000 2.489 380 G HA2 0.448 4.408 3.960 -0.000 0.000 0.305 380 G HA3 0.448 4.408 3.960 -0.000 0.000 0.305 380 G C -0.922 173.977 174.900 -0.001 0.000 1.311 380 G CA -0.270 44.813 45.100 -0.028 0.000 0.813 380 G HN 0.878 nan 8.290 nan 0.000 0.480 381 E N -1.048 119.157 120.200 0.008 0.000 3.562 381 E HA -0.376 3.974 4.350 -0.000 0.000 0.277 381 E C 0.743 177.358 176.600 0.024 0.000 1.503 381 E CA 1.449 57.862 56.400 0.021 0.000 2.178 381 E CB -0.547 29.166 29.700 0.020 0.000 2.019 381 E HN 1.228 nan 8.360 nan 0.000 0.466 382 N N -0.035 118.679 118.700 0.023 0.000 2.776 382 N HA -0.295 4.445 4.740 -0.000 0.000 0.250 382 N C 0.525 176.053 175.510 0.031 0.000 1.112 382 N CA 1.338 54.403 53.050 0.025 0.000 0.733 382 N CB -1.282 37.220 38.487 0.025 0.000 1.097 382 N HN 1.070 nan 8.380 nan 0.000 0.558 383 G N -1.926 106.894 108.800 0.033 0.000 2.218 383 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.216 383 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.216 383 G C 0.207 175.138 174.900 0.052 0.000 0.994 383 G CA 0.547 45.670 45.100 0.038 0.000 0.637 383 G HN 1.001 nan 8.290 nan 0.000 0.505 384 A N 0.342 123.198 122.820 0.060 0.000 2.346 384 A HA 0.749 5.069 4.320 -0.000 0.000 0.252 384 A C 1.592 179.225 177.584 0.083 0.000 1.089 384 A CA 1.289 53.379 52.037 0.089 0.000 0.797 384 A CB 0.835 19.887 19.000 0.087 0.000 1.047 384 A HN 1.215 nan 8.150 nan 0.000 0.494 385 S N -0.797 114.979 115.700 0.127 0.000 2.607 385 S HA 0.164 4.633 4.470 -0.000 0.000 0.224 385 S C 0.401 175.040 174.600 0.066 0.000 0.969 385 S CA 0.615 58.882 58.200 0.112 0.000 0.927 385 S CB -1.133 62.176 63.200 0.181 0.000 0.772 385 S HN 1.188 nan 8.310 nan 0.000 0.533 386 V N 0.048 119.974 119.914 0.020 0.000 2.769 386 V HA 0.774 4.894 4.120 -0.000 0.000 0.312 386 V C -2.780 173.297 176.094 -0.030 0.000 1.061 386 V CA -2.631 59.638 62.300 -0.051 0.000 0.931 386 V CB 1.693 33.405 31.823 -0.184 0.000 1.010 386 V HN -0.004 nan 8.190 nan 0.000 0.433 387 P HA 0.423 nan 4.420 nan 0.000 0.281 387 P C -1.030 176.290 177.300 0.033 0.000 1.264 387 P CA -0.685 62.443 63.100 0.047 0.000 0.824 387 P CB 1.243 33.006 31.700 0.105 0.000 1.092 388 K N 0.267 120.696 120.400 0.049 0.000 2.326 388 K HA 0.323 4.643 4.320 -0.000 0.000 0.275 388 K C -0.390 176.228 176.600 0.030 0.000 1.018 388 K CA -0.523 55.773 56.287 0.015 0.000 0.962 388 K CB 0.444 32.941 32.500 -0.006 0.000 0.953 388 K HN 0.193 nan 8.250 nan 0.000 0.475 389 V N 4.145 124.061 119.914 0.004 0.000 2.328 389 V HA 0.087 4.207 4.120 -0.000 0.000 0.278 389 V C -0.041 176.047 176.094 -0.011 0.000 1.021 389 V CA -0.709 61.587 62.300 -0.007 0.000 0.838 389 V CB 0.990 32.789 31.823 -0.039 0.000 0.999 389 V HN 0.719 nan 8.190 nan 0.000 0.447 390 Q N 2.318 122.100 119.800 -0.031 0.000 2.417 390 Q HA 0.492 4.832 4.340 -0.000 0.000 0.241 390 Q C 0.627 176.575 176.000 -0.087 0.000 1.008 390 Q CA -0.086 55.699 55.803 -0.029 0.000 0.901 390 Q CB 1.067 29.756 28.738 -0.081 0.000 1.259 390 Q HN 0.858 nan 8.270 nan 0.000 0.489 391 G N 1.320 110.094 108.800 -0.043 0.000 2.335 391 G HA2 0.501 4.461 3.960 -0.000 0.000 0.316 391 G HA3 0.501 4.461 3.960 -0.000 0.000 0.316 391 G C -0.753 173.777 174.900 -0.617 0.000 1.129 391 G CA -0.557 44.347 45.100 -0.327 0.000 0.899 391 G HN 0.398 nan 8.290 nan 0.000 0.448 392 R N 1.620 121.512 120.500 -1.013 0.000 2.476 392 R HA 0.489 4.828 4.340 -0.000 0.000 0.305 392 R C -1.259 174.408 176.300 -1.055 0.000 0.965 392 R CA -0.440 55.197 56.100 -0.772 0.000 0.867 392 R CB 1.728 31.786 30.300 -0.404 0.000 1.176 392 R HN 0.472 nan 8.270 nan 0.000 0.447 393 F N 0.424 120.124 119.950 -0.418 0.000 2.598 393 F HA 0.531 5.058 4.527 -0.000 0.000 0.327 393 F C 0.188 175.739 175.800 -0.415 0.000 1.057 393 F CA -1.043 56.676 58.000 -0.467 0.000 0.957 393 F CB 2.028 40.600 39.000 -0.714 0.000 1.278 393 F HN 0.290 nan 8.300 nan 0.000 0.484 394 E N 0.320 120.582 120.200 0.104 0.000 2.356 394 E HA 0.735 5.085 4.350 -0.000 0.000 0.275 394 E C -1.609 175.277 176.600 0.476 0.000 0.904 394 E CA -0.807 55.691 56.400 0.162 0.000 0.757 394 E CB 2.102 31.535 29.700 -0.444 0.000 1.232 394 E HN 0.703 nan 8.360 nan 0.000 0.442 395 A N 3.387 126.502 122.820 0.493 0.000 2.280 395 A HA 0.357 4.677 4.320 -0.000 0.000 0.320 395 A C -0.493 177.272 177.584 0.301 0.000 1.366 395 A CA -0.474 51.749 52.037 0.310 0.000 0.938 395 A CB 0.358 19.384 19.000 0.044 0.000 1.157 395 A HN 0.568 nan 8.150 nan 0.000 0.536 396 E N 2.964 123.372 120.200 0.347 0.000 2.152 396 E HA 0.497 4.847 4.350 -0.000 0.000 0.285 396 E C 0.029 176.710 176.600 0.134 0.000 1.043 396 E CA -0.397 56.176 56.400 0.287 0.000 0.839 396 E CB 0.815 30.752 29.700 0.395 0.000 1.069 396 E HN 0.708 nan 8.360 nan 0.000 0.399 397 A N 4.792 127.536 122.820 -0.125 0.000 2.327 397 A HA 0.449 4.769 4.320 -0.000 0.000 0.283 397 A C -1.461 175.913 177.584 -0.351 0.000 1.127 397 A CA -0.398 51.530 52.037 -0.182 0.000 0.810 397 A CB 0.315 19.098 19.000 -0.362 0.000 1.066 397 A HN 0.672 nan 8.150 nan 0.000 0.492 398 W N 0.653 121.861 121.300 -0.154 0.000 2.915 398 W HA 0.616 5.275 4.660 -0.000 0.000 0.337 398 W C 0.389 176.849 176.519 -0.098 0.000 1.102 398 W CA 0.304 57.578 57.345 -0.118 0.000 1.224 398 W CB 2.427 31.845 29.460 -0.070 0.000 1.416 398 W HN 1.070 nan 8.180 nan 0.000 0.503 399 G N 0.823 109.710 108.800 0.145 0.000 3.085 399 G HA2 0.756 4.716 3.960 -0.000 0.000 0.264 399 G HA3 0.756 4.716 3.960 -0.000 0.000 0.264 399 G C -1.538 173.436 174.900 0.122 0.000 1.206 399 G CA -0.997 44.166 45.100 0.105 0.000 0.809 399 G HN 0.186 nan 8.290 nan 0.000 0.592 400 K N 0.675 121.131 120.400 0.094 0.000 2.464 400 K HA 0.374 4.694 4.320 -0.000 0.000 0.253 400 K C -1.213 175.429 176.600 0.070 0.000 0.933 400 K CA -0.744 55.592 56.287 0.082 0.000 0.801 400 K CB 2.433 34.972 32.500 0.065 0.000 1.271 400 K HN 0.719 nan 8.250 nan 0.000 0.430 401 D N 0.709 121.145 120.400 0.061 0.000 2.478 401 D HA 0.155 4.794 4.640 -0.000 0.000 0.269 401 D C 0.947 177.271 176.300 0.040 0.000 1.232 401 D CA -0.489 53.541 54.000 0.050 0.000 1.059 401 D CB 0.353 41.179 40.800 0.042 0.000 1.104 401 D HN 0.420 nan 8.370 nan 0.000 0.566 402 A N -0.311 122.528 122.820 0.032 0.000 2.076 402 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 402 A C 1.441 179.039 177.584 0.022 0.000 1.160 402 A CA 1.150 53.201 52.037 0.024 0.000 0.653 402 A CB -0.749 18.263 19.000 0.019 0.000 0.801 402 A HN 0.518 nan 8.150 nan 0.000 0.455 403 N N -0.760 117.955 118.700 0.024 0.000 2.314 403 N HA 0.191 4.931 4.740 -0.000 0.000 0.200 403 N C 1.125 176.649 175.510 0.024 0.000 1.135 403 N CA 0.912 53.974 53.050 0.022 0.000 0.835 403 N CB 0.268 38.767 38.487 0.021 0.000 0.989 403 N HN 0.594 nan 8.380 nan 0.000 0.478 404 G N 0.370 109.187 108.800 0.028 0.000 2.168 404 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 404 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 404 G C 0.228 175.149 174.900 0.035 0.000 0.977 404 G CA 0.327 45.445 45.100 0.029 0.000 0.659 404 G HN 0.391 nan 8.290 nan 0.000 0.533 405 Q N 0.485 120.309 119.800 0.041 0.000 2.227 405 Q HA 0.588 4.928 4.340 -0.000 0.000 0.245 405 Q C -2.251 173.795 176.000 0.077 0.000 0.926 405 Q CA -1.986 53.847 55.803 0.050 0.000 0.895 405 Q CB 1.140 29.905 28.738 0.046 0.000 1.230 405 Q HN 0.186 nan 8.270 nan 0.000 0.450 406 P HA 0.012 nan 4.420 nan 0.000 0.266 406 P C -1.200 176.223 177.300 0.205 0.000 1.195 406 P CA 0.215 63.426 63.100 0.184 0.000 0.768 406 P CB 0.397 32.217 31.700 0.199 0.000 0.838 407 L N 3.562 124.907 121.223 0.204 0.000 2.404 407 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 407 L C -0.089 176.682 176.870 -0.165 0.000 0.980 407 L CA -0.925 53.940 54.840 0.040 0.000 0.836 407 L CB 1.503 43.575 42.059 0.023 0.000 1.238 407 L HN 0.316 nan 8.230 nan 0.000 0.408 408 R N 3.767 123.962 120.500 -0.508 0.000 2.210 408 R HA 0.197 4.537 4.340 -0.000 0.000 0.338 408 R C 0.448 176.350 176.300 -0.664 0.000 1.062 408 R CA -0.379 55.025 56.100 -1.161 0.000 0.902 408 R CB 0.850 30.308 30.300 -1.403 0.000 1.050 408 R HN 0.671 nan 8.270 nan 0.000 0.461 409 I N 2.849 123.028 120.570 -0.651 0.000 2.162 409 I HA 0.105 4.275 4.170 -0.000 0.000 0.238 409 I C 1.448 177.281 176.117 -0.473 0.000 1.076 409 I CA 1.924 62.905 61.300 -0.531 0.000 1.353 409 I CB -0.376 37.139 38.000 -0.809 0.000 1.063 409 I HN 0.941 nan 8.210 nan 0.000 0.408 410 G N -2.134 106.304 108.800 -0.604 0.000 2.356 410 G HA2 0.038 3.997 3.960 -0.000 0.000 0.266 410 G HA3 0.038 3.997 3.960 -0.000 0.000 0.266 410 G C -1.472 173.152 174.900 -0.461 0.000 1.312 410 G CA -0.876 43.922 45.100 -0.503 0.000 0.922 410 G HN -0.034 nan 8.290 nan 0.000 0.480 411 Y N 1.076 121.301 120.300 -0.125 0.000 2.454 411 Y HA 0.580 5.129 4.550 -0.000 0.000 0.345 411 Y C 0.860 176.723 175.900 -0.061 0.000 0.970 411 Y CA -0.735 57.341 58.100 -0.042 0.000 1.204 411 Y CB 0.857 39.366 38.460 0.081 0.000 1.122 411 Y HN 0.233 nan 8.280 nan 0.000 0.514 412 L N 6.388 127.600 121.223 -0.018 0.000 2.343 412 L HA 0.429 4.769 4.340 -0.000 0.000 0.275 412 L C -1.978 174.943 176.870 0.083 0.000 1.056 412 L CA -2.305 52.489 54.840 -0.077 0.000 0.804 412 L CB 1.196 43.108 42.059 -0.245 0.000 1.203 412 L HN 0.392 nan 8.230 nan 0.000 0.440 413 P HA 0.207 nan 4.420 nan 0.000 0.266 413 P C -1.011 176.323 177.300 0.057 0.000 1.195 413 P CA -0.060 63.125 63.100 0.142 0.000 0.768 413 P CB 1.309 33.096 31.700 0.144 0.000 0.838 414 A N 1.622 124.470 122.820 0.046 0.000 2.581 414 A HA 0.576 4.896 4.320 -0.000 0.000 0.290 414 A C -0.639 176.834 177.584 -0.185 0.000 1.119 414 A CA -0.569 51.374 52.037 -0.156 0.000 0.670 414 A CB 1.094 19.849 19.000 -0.410 0.000 1.280 414 A HN 0.495 nan 8.150 nan 0.000 0.425 415 S N -0.866 114.669 115.700 -0.276 0.000 2.554 415 S HA 0.693 5.162 4.470 -0.000 0.000 0.278 415 S C -1.389 172.997 174.600 -0.356 0.000 1.242 415 S CA -0.143 57.967 58.200 -0.150 0.000 1.051 415 S CB 0.210 63.360 63.200 -0.083 0.000 0.986 415 S HN 0.529 nan 8.310 nan 0.000 0.502 416 W N 3.075 124.395 121.300 0.034 0.000 2.702 416 W HA 0.640 5.300 4.660 -0.000 0.000 0.331 416 W C -0.093 176.445 176.519 0.031 0.000 1.049 416 W CA -0.696 56.667 57.345 0.031 0.000 1.230 416 W CB 1.584 31.080 29.460 0.060 0.000 1.408 416 W HN 0.802 nan 8.180 nan 0.000 0.492 417 K N -0.054 120.499 120.400 0.255 0.000 2.522 417 K HA 0.891 5.211 4.320 -0.000 0.000 0.275 417 K C -2.011 174.675 176.600 0.144 0.000 1.006 417 K CA -1.022 55.366 56.287 0.168 0.000 0.890 417 K CB 2.131 34.683 32.500 0.087 0.000 1.475 417 K HN 0.240 nan 8.250 nan 0.000 0.441 418 V N 1.015 121.002 119.914 0.122 0.000 2.604 418 V HA 0.431 4.551 4.120 -0.000 0.000 0.305 418 V C -1.142 174.992 176.094 0.067 0.000 1.043 418 V CA -0.498 61.854 62.300 0.086 0.000 0.888 418 V CB 1.821 33.727 31.823 0.138 0.000 0.995 418 V HN 0.828 nan 8.190 nan 0.000 0.429 419 E N 4.649 124.879 120.200 0.050 0.000 2.367 419 E HA 0.430 4.780 4.350 -0.000 0.000 0.273 419 E C -2.840 173.798 176.600 0.063 0.000 0.903 419 E CA -2.187 54.239 56.400 0.044 0.000 0.764 419 E CB 2.549 32.261 29.700 0.020 0.000 1.252 419 E HN 0.369 nan 8.360 nan 0.000 0.446 420 P HA -0.058 nan 4.420 nan 0.000 0.264 420 P C -0.333 177.024 177.300 0.095 0.000 1.193 420 P CA 0.289 63.440 63.100 0.085 0.000 0.763 420 P CB 0.239 31.973 31.700 0.056 0.000 0.810 421 F N 3.765 123.711 119.950 -0.008 0.000 2.206 421 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 421 F C 0.843 176.612 175.800 -0.051 0.000 1.090 421 F CA 1.141 59.110 58.000 -0.052 0.000 1.323 421 F CB 0.133 39.099 39.000 -0.056 0.000 1.028 421 F HN 0.341 nan 8.300 nan 0.000 0.492 422 N N -1.410 117.332 118.700 0.070 0.000 2.902 422 N HA 0.115 4.855 4.740 -0.000 0.000 0.268 422 N C 0.274 175.794 175.510 0.017 0.000 1.450 422 N CA -0.122 52.921 53.050 -0.012 0.000 0.819 422 N CB 0.118 38.652 38.487 0.079 0.000 1.540 422 N HN 0.165 nan 8.380 nan 0.000 0.545 423 E N -0.665 119.535 120.200 0.000 0.000 2.118 423 E HA -0.298 4.052 4.350 -0.000 0.000 0.195 423 E C 1.428 178.048 176.600 0.035 0.000 0.992 423 E CA 0.732 57.138 56.400 0.010 0.000 0.804 423 E CB -0.031 29.670 29.700 0.002 0.000 0.741 423 E HN 0.527 nan 8.360 nan 0.000 0.458 424 R N 1.299 121.830 120.500 0.051 0.000 2.096 424 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 424 R C 2.222 178.568 176.300 0.076 0.000 1.127 424 R CA 1.529 57.667 56.100 0.063 0.000 0.968 424 R CB -0.454 29.889 30.300 0.071 0.000 0.861 424 R HN 0.310 nan 8.270 nan 0.000 0.440 425 A N 0.362 123.238 122.820 0.093 0.000 1.969 425 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 425 A C 2.363 180.001 177.584 0.090 0.000 1.169 425 A CA 1.393 53.494 52.037 0.106 0.000 0.635 425 A CB -0.372 18.707 19.000 0.133 0.000 0.810 425 A HN 0.201 nan 8.150 nan 0.000 0.445 426 V N -0.000 119.954 119.914 0.066 0.000 2.307 426 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 426 V C 2.585 178.714 176.094 0.059 0.000 1.045 426 V CA 2.069 64.400 62.300 0.053 0.000 1.024 426 V CB -0.651 31.190 31.823 0.030 0.000 0.651 426 V HN 0.638 nan 8.190 nan 0.000 0.449 427 E N 0.242 120.476 120.200 0.057 0.000 2.110 427 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 427 E C 1.562 178.209 176.600 0.078 0.000 0.988 427 E CA 1.474 57.908 56.400 0.057 0.000 0.804 427 E CB -0.120 29.608 29.700 0.046 0.000 0.745 427 E HN 0.587 nan 8.360 nan 0.000 0.458 428 D N 0.489 120.944 120.400 0.091 0.000 2.340 428 D HA -0.025 4.615 4.640 -0.000 0.000 0.220 428 D C -0.241 176.177 176.300 0.196 0.000 1.039 428 D CA 0.208 54.277 54.000 0.116 0.000 0.866 428 D CB 0.055 40.913 40.800 0.096 0.000 0.913 428 D HN 0.251 nan 8.370 nan 0.000 0.523 429 E N 0.440 120.744 120.200 0.173 0.000 2.320 429 E HA -0.204 4.145 4.350 -0.000 0.000 0.234 429 E C -0.066 176.682 176.600 0.247 0.000 1.183 429 E CA 0.116 56.628 56.400 0.187 0.000 0.713 429 E CB -0.819 29.025 29.700 0.240 0.000 1.226 429 E HN 0.209 nan 8.360 nan 0.000 0.382 430 D N -0.040 120.479 120.400 0.198 0.000 2.117 430 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 430 D C 1.800 178.203 176.300 0.172 0.000 0.987 430 D CA 1.126 55.248 54.000 0.204 0.000 0.829 430 D CB 0.046 40.936 40.800 0.151 0.000 0.961 430 D HN 0.221 nan 8.370 nan 0.000 0.460 431 V N 0.573 120.555 119.914 0.113 0.000 2.720 431 V HA -0.202 3.918 4.120 -0.000 0.000 0.256 431 V C 2.245 178.363 176.094 0.040 0.000 1.082 431 V CA 1.400 63.758 62.300 0.097 0.000 1.101 431 V CB -0.321 31.543 31.823 0.068 0.000 0.693 431 V HN 0.193 nan 8.190 nan 0.000 0.479 432 K N -0.981 119.378 120.400 -0.069 0.000 2.211 432 K HA 0.023 4.343 4.320 -0.000 0.000 0.201 432 K C 1.777 178.157 176.600 -0.366 0.000 1.052 432 K CA 1.024 57.131 56.287 -0.299 0.000 0.973 432 K CB 0.049 32.209 32.500 -0.565 0.000 0.766 432 K HN 0.450 nan 8.250 nan 0.000 0.466 433 F N -0.248 119.743 119.950 0.069 0.000 2.653 433 F HA 0.283 4.810 4.527 -0.000 0.000 0.288 433 F C 2.120 177.971 175.800 0.085 0.000 1.121 433 F CA 0.134 58.171 58.000 0.062 0.000 1.384 433 F CB 0.089 39.120 39.000 0.052 0.000 1.115 433 F HN -0.006 nan 8.300 nan 0.000 0.599 434 A N 0.618 123.621 122.820 0.304 0.000 1.978 434 A HA 0.312 4.632 4.320 -0.000 0.000 0.220 434 A C 1.500 179.291 177.584 0.345 0.000 1.170 434 A CA 1.824 54.050 52.037 0.315 0.000 0.636 434 A CB -1.035 18.157 19.000 0.320 0.000 0.810 434 A HN 0.505 nan 8.150 nan 0.000 0.448 435 G N -1.435 107.489 108.800 0.207 0.000 2.332 435 G HA2 0.374 4.334 3.960 -0.000 0.000 0.265 435 G HA3 0.374 4.334 3.960 -0.000 0.000 0.265 435 G C -1.201 173.493 174.900 -0.343 0.000 1.329 435 G CA -0.304 44.692 45.100 -0.174 0.000 0.949 435 G HN 0.863 nan 8.290 nan 0.000 0.476 436 K N -1.229 118.742 120.400 -0.715 0.000 2.471 436 K HA 0.729 5.049 4.320 -0.000 0.000 0.252 436 K C -0.726 175.591 176.600 -0.471 0.000 0.938 436 K CA -1.039 54.999 56.287 -0.416 0.000 0.796 436 K CB 2.301 34.670 32.500 -0.219 0.000 1.161 436 K HN 0.593 nan 8.250 nan 0.000 0.425 437 M N 3.265 122.835 119.600 -0.049 0.000 2.120 437 M HA 0.146 4.626 4.480 -0.000 0.000 0.354 437 M C -0.745 175.601 176.300 0.076 0.000 1.287 437 M CA 0.387 55.791 55.300 0.174 0.000 1.103 437 M CB 0.908 33.724 32.600 0.360 0.000 1.623 437 M HN 0.663 nan 8.290 nan 0.000 0.471 438 Q N 3.211 123.037 119.800 0.043 0.000 2.221 438 Q HA 0.582 4.921 4.340 -0.000 0.000 0.242 438 Q C 1.003 177.060 176.000 0.096 0.000 0.940 438 Q CA -0.096 55.727 55.803 0.033 0.000 0.896 438 Q CB 1.041 29.769 28.738 -0.018 0.000 1.226 438 Q HN 0.934 nan 8.270 nan 0.000 0.463 439 A N 1.690 124.572 122.820 0.103 0.000 1.948 439 A HA -0.237 4.082 4.320 -0.000 0.000 0.220 439 A C 1.355 179.072 177.584 0.221 0.000 1.177 439 A CA 2.147 54.285 52.037 0.168 0.000 0.636 439 A CB -0.603 18.465 19.000 0.113 0.000 0.815 439 A HN 0.904 nan 8.150 nan 0.000 0.449 440 D N -1.754 118.707 120.400 0.102 0.000 2.378 440 D HA 0.205 4.845 4.640 -0.000 0.000 0.227 440 D C 1.172 177.422 176.300 -0.084 0.000 1.012 440 D CA 1.031 55.068 54.000 0.061 0.000 0.905 440 D CB -0.797 40.003 40.800 0.001 0.000 0.895 440 D HN 0.966 nan 8.370 nan 0.000 0.532 441 G N -0.814 107.827 108.800 -0.266 0.000 2.131 441 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.223 441 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.223 441 G C -0.102 174.567 174.900 -0.384 0.000 0.990 441 G CA 0.071 44.646 45.100 -0.875 0.000 0.671 441 G HN 0.373 nan 8.290 nan 0.000 0.521 442 V N 1.022 120.837 119.914 -0.165 0.000 2.370 442 V HA 0.629 4.749 4.120 -0.000 0.000 0.283 442 V C -0.098 176.011 176.094 0.026 0.000 1.023 442 V CA -0.762 61.482 62.300 -0.093 0.000 0.857 442 V CB 1.386 33.143 31.823 -0.111 0.000 0.985 442 V HN 0.351 nan 8.190 nan 0.000 0.443 443 F N 5.866 125.795 119.950 -0.035 0.000 2.405 443 F HA 0.578 5.105 4.527 -0.000 0.000 0.355 443 F C -0.038 175.748 175.800 -0.023 0.000 1.121 443 F CA -0.374 57.638 58.000 0.021 0.000 1.112 443 F CB 1.301 40.378 39.000 0.128 0.000 1.126 443 F HN 0.254 nan 8.300 nan 0.000 0.481 444 V N 9.129 128.718 119.914 -0.541 0.000 2.318 444 V HA 0.295 4.415 4.120 -0.000 0.000 0.271 444 V C -1.881 173.907 176.094 -0.510 0.000 1.030 444 V CA -1.719 60.361 62.300 -0.367 0.000 0.844 444 V CB 0.646 32.312 31.823 -0.262 0.000 1.015 444 V HN 0.623 nan 8.190 nan 0.000 0.460 445 P HA 0.144 nan 4.420 nan 0.000 0.272 445 P C 0.433 177.712 177.300 -0.035 0.000 1.240 445 P CA 0.155 63.261 63.100 0.010 0.000 0.791 445 P CB 0.920 32.717 31.700 0.160 0.000 0.978 446 G N 0.150 108.971 108.800 0.034 0.000 2.653 446 G HA2 0.404 4.364 3.960 -0.000 0.000 0.265 446 G HA3 0.404 4.364 3.960 -0.000 0.000 0.265 446 G C 0.320 175.236 174.900 0.026 0.000 1.237 446 G CA -0.280 44.839 45.100 0.031 0.000 0.946 446 G HN 0.607 nan 8.290 nan 0.000 0.522 447 G N -1.096 107.721 108.800 0.027 0.000 2.527 447 G HA2 0.597 4.557 3.960 -0.000 0.000 0.248 447 G HA3 0.597 4.557 3.960 -0.000 0.000 0.248 447 G C 0.481 175.396 174.900 0.025 0.000 1.231 447 G CA 0.422 45.535 45.100 0.022 0.000 0.838 447 G HN 0.966 nan 8.290 nan 0.000 0.570 448 A N -0.012 122.820 122.820 0.020 0.000 2.310 448 A HA 0.817 5.137 4.320 -0.000 0.000 0.260 448 A C 1.145 178.750 177.584 0.034 0.000 1.112 448 A CA 0.855 52.906 52.037 0.022 0.000 0.804 448 A CB -0.269 18.742 19.000 0.019 0.000 1.081 448 A HN 2.709 nan 8.150 nan 0.000 0.499 449 G N -1.356 107.471 108.800 0.044 0.000 2.707 449 G HA2 0.081 4.041 3.960 -0.000 0.000 0.686 449 G HA3 0.081 4.041 3.960 -0.000 0.000 0.686 449 G C -3.195 171.720 174.900 0.024 0.000 1.315 449 G CA -0.450 44.677 45.100 0.045 0.000 0.832 449 G HN 0.766 nan 8.290 nan 0.000 0.573 450 P HA 0.282 nan 4.420 nan 0.000 0.275 450 P C -0.315 176.973 177.300 -0.021 0.000 1.228 450 P CA -0.295 62.802 63.100 -0.005 0.000 0.786 450 P CB 0.618 32.317 31.700 -0.002 0.000 0.927 451 N N 2.834 121.500 118.700 -0.057 0.000 2.558 451 N HA 0.221 4.960 4.740 -0.000 0.000 0.242 451 N C -1.832 173.615 175.510 -0.105 0.000 0.979 451 N CA -2.164 50.837 53.050 -0.082 0.000 0.931 451 N CB 0.963 39.370 38.487 -0.135 0.000 1.122 451 N HN 0.132 nan 8.380 nan 0.000 0.508 452 P HA -0.189 nan 4.420 nan 0.000 0.217 452 P C 0.624 177.887 177.300 -0.061 0.000 1.148 452 P CA 1.113 64.186 63.100 -0.046 0.000 0.834 452 P CB 0.286 31.977 31.700 -0.016 0.000 0.783 453 E N -0.885 119.271 120.200 -0.074 0.000 2.347 453 E HA -0.034 4.315 4.350 -0.000 0.000 0.196 453 E C 0.842 177.317 176.600 -0.208 0.000 1.008 453 E CA 0.674 57.042 56.400 -0.053 0.000 0.852 453 E CB -0.091 29.663 29.700 0.089 0.000 0.783 453 E HN 0.410 nan 8.360 nan 0.000 0.505 454 R N 0.868 121.140 120.500 -0.380 0.000 2.553 454 R HA 0.309 4.648 4.340 -0.000 0.000 0.263 454 R C 0.304 176.489 176.300 -0.192 0.000 1.066 454 R CA -0.632 55.193 56.100 -0.458 0.000 1.135 454 R CB 0.920 30.867 30.300 -0.589 0.000 1.148 454 R HN -0.152 nan 8.270 nan 0.000 0.558 455 K N 1.646 121.968 120.400 -0.130 0.000 2.412 455 K HA 0.001 4.321 4.320 -0.000 0.000 0.281 455 K C 0.361 176.926 176.600 -0.058 0.000 1.027 455 K CA 0.546 56.799 56.287 -0.057 0.000 0.989 455 K CB 0.329 32.816 32.500 -0.021 0.000 0.935 455 K HN 0.577 nan 8.250 nan 0.000 0.475 456 M N 3.102 122.679 119.600 -0.039 0.000 2.751 456 M HA -0.290 4.190 4.480 -0.000 0.000 0.199 456 M C 0.284 176.559 176.300 -0.041 0.000 0.550 456 M CA 0.822 56.104 55.300 -0.030 0.000 0.640 456 M CB -1.537 31.050 32.600 -0.020 0.000 2.351 456 M HN 0.992 nan 8.290 nan 0.000 0.613 457 M N -2.717 116.846 119.600 -0.061 0.000 2.333 457 M HA -0.200 4.280 4.480 -0.000 0.000 0.199 457 M C -0.055 176.202 176.300 -0.072 0.000 0.376 457 M CA 1.682 56.940 55.300 -0.070 0.000 0.440 457 M CB -2.383 30.193 32.600 -0.041 0.000 1.506 457 M HN 0.439 nan 8.290 nan 0.000 0.889 458 T N 1.647 116.148 114.554 -0.088 0.000 2.748 458 T HA 0.325 4.675 4.350 -0.000 0.000 0.304 458 T C 0.525 175.178 174.700 -0.078 0.000 1.041 458 T CA 0.421 62.480 62.100 -0.068 0.000 1.033 458 T CB 0.478 69.312 68.868 -0.056 0.000 0.995 458 T HN 0.748 nan 8.240 nan 0.000 0.536 459 N N 2.062 120.740 118.700 -0.037 0.000 2.354 459 N HA 0.165 4.905 4.740 -0.000 0.000 0.246 459 N C 0.138 175.639 175.510 -0.015 0.000 1.285 459 N CA -0.538 52.501 53.050 -0.018 0.000 0.925 459 N CB 0.234 38.725 38.487 0.007 0.000 1.174 459 N HN 0.463 nan 8.380 nan 0.000 0.478 460 N N 0.397 119.111 118.700 0.023 0.000 2.878 460 N HA 0.125 4.865 4.740 -0.000 0.000 0.282 460 N C -0.734 174.840 175.510 0.105 0.000 1.284 460 N CA -0.047 53.055 53.050 0.086 0.000 1.053 460 N CB -0.408 38.148 38.487 0.115 0.000 1.382 460 N HN 0.485 nan 8.380 nan 0.000 0.529 461 A N -0.420 122.444 122.820 0.073 0.000 2.264 461 A HA 0.874 5.194 4.320 -0.000 0.000 0.304 461 A C 0.685 178.323 177.584 0.089 0.000 1.100 461 A CA -0.283 51.794 52.037 0.067 0.000 0.839 461 A CB 0.942 19.962 19.000 0.034 0.000 1.121 461 A HN 0.302 nan 8.150 nan 0.000 0.496 462 G N -0.144 108.696 108.800 0.068 0.000 2.632 462 G HA2 0.426 4.386 3.960 -0.000 0.000 0.292 462 G HA3 0.426 4.386 3.960 -0.000 0.000 0.292 462 G C -1.825 173.098 174.900 0.038 0.000 1.465 462 G CA -0.652 44.494 45.100 0.075 0.000 0.824 462 G HN 0.660 nan 8.290 nan 0.000 0.509 463 N N 0.648 119.394 118.700 0.077 0.000 2.558 463 N HA 0.505 5.245 4.740 -0.000 0.000 0.242 463 N C -0.450 175.150 175.510 0.150 0.000 0.979 463 N CA -0.325 52.783 53.050 0.098 0.000 0.931 463 N CB 0.614 39.196 38.487 0.159 0.000 1.122 463 N HN 0.425 nan 8.380 nan 0.000 0.508 464 L N 1.365 122.637 121.223 0.083 0.000 2.330 464 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 464 L C 0.355 177.338 176.870 0.189 0.000 1.013 464 L CA -0.985 53.908 54.840 0.089 0.000 0.816 464 L CB 1.856 43.854 42.059 -0.103 0.000 1.287 464 L HN 0.216 nan 8.230 nan 0.000 0.435 465 K N 1.143 121.647 120.400 0.173 0.000 2.339 465 K HA 0.471 4.791 4.320 -0.000 0.000 0.264 465 K C -1.291 175.328 176.600 0.032 0.000 0.986 465 K CA -0.534 55.862 56.287 0.181 0.000 0.866 465 K CB 1.631 34.221 32.500 0.151 0.000 1.103 465 K HN 0.319 nan 8.250 nan 0.000 0.441 466 V N 6.508 126.399 119.914 -0.039 0.000 2.368 466 V HA 0.242 4.362 4.120 -0.000 0.000 0.266 466 V C -0.045 176.046 176.094 -0.004 0.000 1.045 466 V CA -0.650 61.573 62.300 -0.129 0.000 0.899 466 V CB 0.644 32.150 31.823 -0.528 0.000 1.006 466 V HN 0.634 nan 8.190 nan 0.000 0.470 467 I N 4.664 125.255 120.570 0.036 0.000 2.321 467 I HA 0.642 4.812 4.170 -0.000 0.000 0.291 467 I C 0.432 176.462 176.117 -0.145 0.000 0.998 467 I CA -0.454 60.830 61.300 -0.027 0.000 1.227 467 I CB 1.283 39.263 38.000 -0.033 0.000 1.368 467 I HN 0.602 nan 8.210 nan 0.000 0.466 468 A N 4.930 127.522 122.820 -0.381 0.000 2.318 468 A HA 0.791 5.111 4.320 -0.000 0.000 0.324 468 A C 0.054 177.340 177.584 -0.497 0.000 1.170 468 A CA -0.461 51.034 52.037 -0.904 0.000 0.810 468 A CB 0.891 19.073 19.000 -1.363 0.000 1.198 468 A HN 0.762 nan 8.150 nan 0.000 0.484 469 T N 0.980 115.259 114.554 -0.458 0.000 2.864 469 T HA 0.516 4.866 4.350 -0.000 0.000 0.299 469 T C -0.452 174.111 174.700 -0.228 0.000 1.011 469 T CA -0.638 61.309 62.100 -0.254 0.000 0.975 469 T CB 0.468 69.237 68.868 -0.165 0.000 0.962 469 T HN 0.364 nan 8.240 nan 0.000 0.448 470 L N 3.316 124.438 121.223 -0.169 0.000 2.540 470 L HA 0.345 4.685 4.340 -0.000 0.000 0.276 470 L C 1.718 178.547 176.870 -0.069 0.000 1.212 470 L CA 0.479 55.250 54.840 -0.115 0.000 0.893 470 L CB 0.036 42.046 42.059 -0.082 0.000 1.138 470 L HN 0.971 nan 8.230 nan 0.000 0.491 471 A N 2.956 125.750 122.820 -0.042 0.000 1.969 471 A HA -0.121 4.198 4.320 -0.000 0.000 0.218 471 A C 1.022 178.612 177.584 0.010 0.000 1.169 471 A CA 1.041 53.073 52.037 -0.008 0.000 0.635 471 A CB -0.414 18.599 19.000 0.021 0.000 0.810 471 A HN 0.769 nan 8.150 nan 0.000 0.445 472 D N -1.022 119.388 120.400 0.017 0.000 2.517 472 D HA 0.413 5.053 4.640 -0.000 0.000 0.220 472 D C 0.987 177.305 176.300 0.030 0.000 1.158 472 D CA 0.853 54.879 54.000 0.044 0.000 0.992 472 D CB -0.488 40.364 40.800 0.086 0.000 1.058 472 D HN 0.471 nan 8.370 nan 0.000 0.516 473 G N 2.042 110.854 108.800 0.019 0.000 2.194 473 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.236 473 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.236 473 G C 1.111 176.007 174.900 -0.006 0.000 0.987 473 G CA 0.124 45.231 45.100 0.012 0.000 0.635 473 G HN 1.427 nan 8.290 nan 0.000 0.520 474 G N -0.847 107.941 108.800 -0.020 0.000 2.179 474 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.257 474 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.257 474 G C 0.215 175.088 174.900 -0.045 0.000 1.010 474 G CA 1.254 46.333 45.100 -0.037 0.000 0.736 474 G HN 1.300 nan 8.290 nan 0.000 0.513 475 Q N 1.098 120.872 119.800 -0.042 0.000 2.313 475 Q HA 0.513 4.853 4.340 -0.000 0.000 0.266 475 Q C 0.960 176.919 176.000 -0.069 0.000 0.989 475 Q CA 0.794 56.572 55.803 -0.042 0.000 0.890 475 Q CB 0.923 29.645 28.738 -0.026 0.000 1.200 475 Q HN 0.557 nan 8.270 nan 0.000 0.396 476 T N -1.129 113.385 114.554 -0.066 0.000 2.928 476 T HA 0.821 5.171 4.350 -0.000 0.000 0.284 476 T C 0.203 174.860 174.700 -0.072 0.000 1.008 476 T CA -0.642 61.405 62.100 -0.088 0.000 1.057 476 T CB 1.593 70.414 68.868 -0.077 0.000 1.018 476 T HN 0.566 nan 8.240 nan 0.000 0.493 477 G N 0.410 109.154 108.800 -0.093 0.000 2.620 477 G HA2 0.598 4.558 3.960 -0.000 0.000 0.301 477 G HA3 0.598 4.558 3.960 -0.000 0.000 0.301 477 G C -1.664 173.214 174.900 -0.038 0.000 1.347 477 G CA -0.784 44.288 45.100 -0.047 0.000 0.971 477 G HN 0.808 nan 8.290 nan 0.000 0.488 478 E N -0.525 119.680 120.200 0.009 0.000 2.248 478 E HA 0.632 4.982 4.350 -0.000 0.000 0.267 478 E C -0.110 176.537 176.600 0.079 0.000 0.877 478 E CA -0.706 55.711 56.400 0.029 0.000 0.759 478 E CB 2.385 32.095 29.700 0.018 0.000 1.182 478 E HN 0.700 nan 8.360 nan 0.000 0.418 479 G N 1.132 109.979 108.800 0.079 0.000 2.730 479 G HA2 0.336 4.296 3.960 -0.000 0.000 0.289 479 G HA3 0.336 4.296 3.960 -0.000 0.000 0.289 479 G C -1.693 173.311 174.900 0.173 0.000 1.341 479 G CA -0.429 44.739 45.100 0.113 0.000 0.932 479 G HN 0.566 nan 8.290 nan 0.000 0.481 480 H N -0.137 118.982 119.070 0.081 0.000 2.658 480 H HA 0.612 5.168 4.556 -0.000 0.000 0.337 480 H C -1.042 174.234 175.328 -0.086 0.000 1.009 480 H CA -0.736 55.338 56.048 0.044 0.000 1.231 480 H CB 1.564 31.402 29.762 0.128 0.000 1.508 480 H HN 0.460 nan 8.280 nan 0.000 0.517 481 M N 6.813 126.363 119.600 -0.084 0.000 2.395 481 M HA 0.443 4.923 4.480 -0.000 0.000 0.307 481 M C -1.930 174.163 176.300 -0.344 0.000 1.091 481 M CA -0.785 54.331 55.300 -0.306 0.000 0.919 481 M CB 1.660 34.151 32.600 -0.181 0.000 1.662 481 M HN 0.568 nan 8.290 nan 0.000 0.440 482 I N 4.691 125.001 120.570 -0.434 0.000 2.406 482 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 482 I C -0.888 175.109 176.117 -0.199 0.000 0.999 482 I CA -0.955 60.180 61.300 -0.274 0.000 1.124 482 I CB 2.083 39.935 38.000 -0.247 0.000 1.289 482 I HN 0.388 nan 8.210 nan 0.000 0.441 483 V N 5.982 125.828 119.914 -0.114 0.000 2.348 483 V HA 0.399 4.519 4.120 -0.000 0.000 0.270 483 V C 0.444 176.525 176.094 -0.022 0.000 1.037 483 V CA -0.247 62.028 62.300 -0.042 0.000 0.872 483 V CB 0.920 32.776 31.823 0.054 0.000 1.002 483 V HN 0.909 nan 8.190 nan 0.000 0.464 484 T N 1.725 116.256 114.554 -0.038 0.000 2.718 484 T HA 0.735 5.084 4.350 -0.000 0.000 0.267 484 T C 0.214 174.887 174.700 -0.046 0.000 0.957 484 T CA -0.490 61.589 62.100 -0.035 0.000 1.025 484 T CB 1.543 70.383 68.868 -0.046 0.000 1.355 484 T HN 0.604 nan 8.240 nan 0.000 0.572 485 V N -0.292 119.588 119.914 -0.057 0.000 3.264 485 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 485 V C -0.152 175.831 176.094 -0.185 0.000 1.086 485 V CA -0.882 61.363 62.300 -0.092 0.000 1.090 485 V CB -0.218 31.572 31.823 -0.054 0.000 1.112 485 V HN 0.888 nan 8.190 nan 0.000 0.472 486 Q N 1.664 121.272 119.800 -0.321 0.000 2.407 486 Q HA 0.591 4.930 4.340 -0.000 0.000 0.214 486 Q C -0.144 175.436 176.000 -0.701 0.000 1.043 486 Q CA -0.410 55.075 55.803 -0.529 0.000 0.983 486 Q CB 0.302 28.592 28.738 -0.748 0.000 1.211 486 Q HN 0.922 nan 8.270 nan 0.000 0.564 487 R N -0.685 119.405 120.500 -0.683 0.000 2.564 487 R HA 0.367 4.707 4.340 -0.000 0.000 0.284 487 R C -0.742 175.317 176.300 -0.403 0.000 1.031 487 R CA -0.732 55.107 56.100 -0.435 0.000 0.904 487 R CB 0.766 30.971 30.300 -0.159 0.000 1.199 487 R HN 0.703 nan 8.270 nan 0.000 0.443 488 W N 1.325 122.619 121.300 -0.009 0.000 2.872 488 W HA 0.119 4.779 4.660 -0.000 0.000 0.266 488 W C 0.192 176.707 176.519 -0.006 0.000 1.276 488 W CA -0.156 57.185 57.345 -0.006 0.000 1.471 488 W CB 0.430 29.888 29.460 -0.004 0.000 1.071 488 W HN 0.609 nan 8.180 nan 0.000 0.619 489 N N 1.849 120.681 118.700 0.219 0.000 2.437 489 N HA 0.071 4.810 4.740 -0.000 0.000 0.243 489 N C -1.108 174.439 175.510 0.063 0.000 1.041 489 N CA 0.097 53.222 53.050 0.125 0.000 0.940 489 N CB 0.008 38.558 38.487 0.105 0.000 1.133 489 N HN -0.087 nan 8.380 nan 0.000 0.506 490 N N 3.704 122.430 118.700 0.044 0.000 2.790 490 N HA 0.307 5.046 4.740 -0.000 0.000 0.256 490 N C -2.589 172.925 175.510 0.008 0.000 1.409 490 N CA -1.116 51.940 53.050 0.011 0.000 0.799 490 N CB 1.153 39.633 38.487 -0.011 0.000 1.170 490 N HN 0.482 nan 8.380 nan 0.000 0.507 491 P HA 0.226 nan 4.420 nan 0.000 0.274 491 P C -1.891 175.400 177.300 -0.015 0.000 1.256 491 P CA -1.108 61.991 63.100 -0.003 0.000 0.795 491 P CB 0.544 32.239 31.700 -0.008 0.000 1.038 492 P HA -0.063 nan 4.420 nan 0.000 0.217 492 P C -0.196 177.082 177.300 -0.037 0.000 1.148 492 P CA 1.347 64.434 63.100 -0.021 0.000 0.828 492 P CB 0.116 31.797 31.700 -0.031 0.000 0.783 493 L N 0.074 121.265 121.223 -0.053 0.000 2.341 493 L HA 0.422 4.761 4.340 -0.000 0.000 0.278 493 L C -2.101 174.742 176.870 -0.045 0.000 1.005 493 L CA -2.533 52.268 54.840 -0.065 0.000 0.818 493 L CB 1.934 43.933 42.059 -0.101 0.000 1.259 493 L HN -0.171 nan 8.230 nan 0.000 0.418 494 P HA 0.000 nan 4.420 nan 0.000 0.216 494 P CA 0.000 63.112 63.100 0.020 0.000 0.800 494 P CB 0.000 31.725 31.700 0.042 0.000 0.726