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 2xzb_1_A DATA FIRST_RESID 48 DATA SEQUENCE MEINDHQLSV AELEQKYQTS ATKGLSASLA AELLLRDGPN ALRPPRGTPE DATA SEQUENCE YVKFARQLAG GLQCLMWVAA AICLIAFAIQ ASEGDLTTDD NLYLALALIA DATA SEQUENCE VVVVTGCFGY YQEXXXXXXX XXXXXXXXQQ ATVIRDGDKF QINADQLVVG DATA SEQUENCE DLVEMKGGDR VPADIRILQA QGRKVDNSSL TGESEPQTRS PECTHESPLE DATA SEQUENCE TRNIAFFSTM CLEGTAQGLV VNTGDRTIIG RIASLASGVE NEKTPIAIEI DATA SEQUENCE EHFVDIIAGL AILFGATFFI VAMCIGYTFL RAMVFFMAIV VAYVPEGLLA DATA SEQUENCE TVTVCLSLTA KRLASKNCVV KNLEAVETLG STSVICSDKT GTLTQNRMTV DATA SEQUENCE SHLWFDNHIH SADTTEDQSG QTFDQSSETW RALCRVLTLC NRAAFKSGQD DATA SEQUENCE AVPVPKRIVI GDASETALLK FSELTLGNAM GYRERFPKVC EIPFNSTNKF DATA SEQUENCE QLSIHTLEDP RDPRHVLVMK GAPERVLERC SSILIKGQEL PLDEQWREAF DATA SEQUENCE QTAYLSLGGL GERVLGFCQL YLSEKDYPPG YAFDVEAMNF PTSGLSFAGL DATA SEQUENCE VSMIDPPRAT VPDAVLKCRT AGIRVIMVTG DHPITAKAIA ASVGIISEGS DATA SEQUENCE ETVEDIAARL RVPVDQVNRK DARACVINGM QLKDMDPSEL VEALRTHPEM DATA SEQUENCE VFARTSPQQK LVIVESCQRL GAIVAVTGDG VNDSPALKKA DIGVAMGIAG DATA SEQUENCE SDAAKNAADM ILLDDNFASI VTGVEQGRLI FDNLKKSIAY TLTKNIPELT DATA SEQUENCE PYLIYITVSV PLPLGCITIL FIELCTDIFP SVSLAYEKAE SDIMHLRPRN DATA SEQUENCE PKRDRLVNEP LAAYSYFQIG AIQSFAGFTD YFTAMAQEGW FPLLCVGLRP DATA SEQUENCE QWENHHLQDL QDSYGQEWTF GQRLYQQYTC YTVFFISIEM CQIADVLIRK DATA SEQUENCE TRRLSAFQQG FFRNRILVIA IVFQVCIGCF LCYCPGMPNI FNFMPIRFQW DATA SEQUENCE WLVPMPFGLL IFVYDEIRKL GVRCCPGSWW DQELYY 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 48 M HA 0.000 nan 4.480 nan 0.000 0.227 48 M C 0.000 176.321 176.300 0.034 0.000 1.140 48 M CA 0.000 55.313 55.300 0.022 0.000 0.988 48 M CB 0.000 32.614 32.600 0.024 0.000 1.302 49 E N 1.652 121.878 120.200 0.042 0.000 2.349 49 E HA 0.646 4.994 4.350 -0.003 0.000 0.262 49 E C -1.391 175.256 176.600 0.079 0.000 1.088 49 E CA -0.502 55.935 56.400 0.062 0.000 0.899 49 E CB 1.059 30.805 29.700 0.077 0.000 1.044 49 E HN 0.655 nan 8.360 nan 0.000 0.420 50 I N 2.493 123.117 120.570 0.089 0.000 2.545 50 I HA 0.403 4.571 4.170 -0.003 0.000 0.292 50 I C -1.078 175.115 176.117 0.128 0.000 1.040 50 I CA -0.446 60.916 61.300 0.104 0.000 1.068 50 I CB 1.431 39.476 38.000 0.074 0.000 1.251 50 I HN 0.683 nan 8.210 nan 0.000 0.424 51 N N 3.689 122.496 118.700 0.177 0.000 3.204 51 N HA 0.275 5.014 4.740 -0.003 0.000 0.285 51 N C -0.970 174.598 175.510 0.097 0.000 1.536 51 N CA -0.716 52.452 53.050 0.196 0.000 0.832 51 N CB 1.289 39.968 38.487 0.320 0.000 1.645 51 N HN 0.626 nan 8.380 nan 0.000 0.586 52 D N -0.487 119.968 120.400 0.093 0.000 2.340 52 D HA -0.040 4.598 4.640 -0.003 0.000 0.217 52 D C 0.684 176.963 176.300 -0.034 0.000 1.081 52 D CA 0.314 54.315 54.000 0.001 0.000 0.842 52 D CB -0.272 40.571 40.800 0.072 0.000 0.934 52 D HN 0.700 nan 8.370 nan 0.000 0.511 53 H N 0.008 119.107 119.070 0.047 0.000 2.489 53 H HA -0.044 4.510 4.556 -0.003 0.000 0.293 53 H C 1.772 177.117 175.328 0.029 0.000 1.066 53 H CA 0.977 57.047 56.048 0.037 0.000 1.305 53 H CB -0.309 29.478 29.762 0.042 0.000 1.386 53 H HN 0.118 nan 8.280 nan 0.000 0.551 54 Q N 0.867 120.381 119.800 -0.477 0.000 2.167 54 Q HA 0.041 4.379 4.340 -0.003 0.000 0.202 54 Q C 0.525 176.456 176.000 -0.115 0.000 0.970 54 Q CA 0.350 55.993 55.803 -0.265 0.000 0.855 54 Q CB 0.128 28.680 28.738 -0.309 0.000 0.911 54 Q HN 0.471 nan 8.270 nan 0.000 0.438 55 L N 0.960 122.125 121.223 -0.096 0.000 2.483 55 L HA -0.002 4.336 4.340 -0.003 0.000 0.275 55 L C 0.731 177.593 176.870 -0.013 0.000 1.220 55 L CA -0.333 54.480 54.840 -0.044 0.000 0.833 55 L CB 0.365 42.410 42.059 -0.024 0.000 1.102 55 L HN 0.065 nan 8.230 nan 0.000 0.490 56 S N 0.509 116.205 115.700 -0.007 0.000 2.614 56 S HA 0.149 4.617 4.470 -0.003 0.000 0.265 56 S C 1.125 175.737 174.600 0.019 0.000 1.303 56 S CA -0.829 57.374 58.200 0.005 0.000 1.000 56 S CB 1.415 64.616 63.200 0.002 0.000 0.935 56 S HN 0.358 nan 8.310 nan 0.000 0.551 57 V N 3.425 123.354 119.914 0.024 0.000 2.343 57 V HA -0.148 3.970 4.120 -0.003 0.000 0.247 57 V C 2.747 178.863 176.094 0.037 0.000 1.051 57 V CA 2.324 64.645 62.300 0.035 0.000 1.036 57 V CB -1.552 30.288 31.823 0.028 0.000 0.654 57 V HN 0.937 nan 8.190 nan 0.000 0.451 58 A N -0.274 122.560 122.820 0.023 0.000 1.902 58 A HA -0.250 4.068 4.320 -0.003 0.000 0.217 58 A C 2.169 179.762 177.584 0.015 0.000 1.181 58 A CA 1.909 53.958 52.037 0.019 0.000 0.623 58 A CB -0.482 18.524 19.000 0.010 0.000 0.818 58 A HN 0.640 nan 8.150 nan 0.000 0.443 59 E N -0.793 119.411 120.200 0.006 0.000 2.110 59 E HA -0.184 4.165 4.350 -0.003 0.000 0.193 59 E C 1.914 178.505 176.600 -0.014 0.000 0.988 59 E CA 1.143 57.535 56.400 -0.012 0.000 0.804 59 E CB -0.251 29.437 29.700 -0.020 0.000 0.745 59 E HN 0.508 nan 8.360 nan 0.000 0.458 60 L N 1.596 122.839 121.223 0.033 0.000 2.046 60 L HA -0.182 4.156 4.340 -0.003 0.000 0.208 60 L C 1.899 178.865 176.870 0.159 0.000 1.077 60 L CA 1.806 56.707 54.840 0.103 0.000 0.747 60 L CB -0.134 42.033 42.059 0.180 0.000 0.896 60 L HN 0.021 nan 8.230 nan 0.000 0.432 61 E N -1.169 119.108 120.200 0.127 0.000 2.077 61 E HA -0.236 4.112 4.350 -0.003 0.000 0.193 61 E C 2.143 178.780 176.600 0.062 0.000 0.989 61 E CA 1.084 57.561 56.400 0.129 0.000 0.800 61 E CB -0.152 29.593 29.700 0.074 0.000 0.746 61 E HN 0.529 nan 8.360 nan 0.000 0.452 62 Q N 0.817 120.619 119.800 0.004 0.000 2.096 62 Q HA -0.193 4.145 4.340 -0.003 0.000 0.204 62 Q C 2.071 178.018 176.000 -0.088 0.000 0.982 62 Q CA 1.246 57.030 55.803 -0.030 0.000 0.850 62 Q CB -0.260 28.456 28.738 -0.038 0.000 0.901 62 Q HN 0.200 nan 8.270 nan 0.000 0.422 63 K N -0.165 120.119 120.400 -0.193 0.000 2.097 63 K HA -0.152 4.166 4.320 -0.003 0.000 0.206 63 K C 1.702 178.026 176.600 -0.459 0.000 1.049 63 K CA 1.116 57.174 56.287 -0.381 0.000 0.933 63 K CB -0.015 32.109 32.500 -0.627 0.000 0.717 63 K HN 0.116 nan 8.250 nan 0.000 0.442 64 Y N 0.920 121.220 120.300 -0.000 0.000 2.519 64 Y HA 0.065 4.613 4.550 -0.003 0.000 0.287 64 Y C 0.273 176.174 175.900 0.001 0.000 1.128 64 Y CA 0.301 58.401 58.100 0.001 0.000 1.282 64 Y CB 0.209 38.669 38.460 0.001 0.000 1.027 64 Y HN 0.082 nan 8.280 nan 0.000 0.551 65 Q N 0.575 120.428 119.800 0.089 0.000 2.463 65 Q HA -0.210 4.129 4.340 -0.003 0.000 0.299 65 Q C -0.039 176.009 176.000 0.079 0.000 1.353 65 Q CA 1.336 57.177 55.803 0.062 0.000 0.828 65 Q CB -1.933 26.833 28.738 0.046 0.000 1.157 65 Q HN 0.432 nan 8.270 nan 0.000 0.436 66 T N -1.592 113.018 114.554 0.093 0.000 2.883 66 T HA 0.619 4.967 4.350 -0.003 0.000 0.296 66 T C -0.658 174.074 174.700 0.054 0.000 1.117 66 T CA -0.157 61.987 62.100 0.074 0.000 1.006 66 T CB 1.740 70.659 68.868 0.085 0.000 1.191 66 T HN 0.077 nan 8.240 nan 0.000 0.508 67 S N 1.609 117.331 115.700 0.037 0.000 2.451 67 S HA 0.599 5.067 4.470 -0.003 0.000 0.301 67 S C 1.231 175.847 174.600 0.026 0.000 1.116 67 S CA -0.277 57.940 58.200 0.029 0.000 1.093 67 S CB 1.454 64.666 63.200 0.021 0.000 1.017 67 S HN 0.874 nan 8.310 nan 0.000 0.482 68 A N 2.599 125.434 122.820 0.025 0.000 1.873 68 A HA -0.067 4.252 4.320 -0.003 0.000 0.215 68 A C 2.181 179.774 177.584 0.016 0.000 1.186 68 A CA 2.209 54.259 52.037 0.022 0.000 0.616 68 A CB -0.993 18.020 19.000 0.021 0.000 0.823 68 A HN 0.708 nan 8.150 nan 0.000 0.442 69 T N -1.614 112.950 114.554 0.015 0.000 2.814 69 T HA -0.036 4.312 4.350 -0.003 0.000 0.254 69 T C 2.007 176.716 174.700 0.014 0.000 1.037 69 T CA 1.430 63.538 62.100 0.014 0.000 1.143 69 T CB -0.163 68.713 68.868 0.012 0.000 0.866 69 T HN 0.262 nan 8.240 nan 0.000 0.431 70 K N 0.579 120.987 120.400 0.014 0.000 2.076 70 K HA 0.285 4.604 4.320 -0.003 0.000 0.204 70 K C 1.491 178.100 176.600 0.015 0.000 1.051 70 K CA 0.924 57.219 56.287 0.014 0.000 0.949 70 K CB -0.831 31.676 32.500 0.012 0.000 0.726 70 K HN 0.617 nan 8.250 nan 0.000 0.443 71 G N 0.814 109.623 108.800 0.015 0.000 2.685 71 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.387 71 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.387 71 G C -0.833 174.076 174.900 0.015 0.000 1.324 71 G CA -0.683 44.425 45.100 0.014 0.000 0.878 71 G HN 0.042 nan 8.290 nan 0.000 0.527 72 L N 0.271 121.503 121.223 0.014 0.000 2.476 72 L HA 0.583 4.921 4.340 -0.003 0.000 0.264 72 L C 1.524 178.401 176.870 0.011 0.000 1.224 72 L CA 0.846 55.695 54.840 0.015 0.000 0.821 72 L CB 1.115 43.182 42.059 0.014 0.000 1.101 72 L HN 0.878 nan 8.230 nan 0.000 0.488 73 S N -0.174 115.532 115.700 0.010 0.000 2.632 73 S HA 0.524 4.993 4.470 -0.003 0.000 0.271 73 S C 1.135 175.737 174.600 0.003 0.000 1.260 73 S CA -0.098 58.105 58.200 0.005 0.000 1.010 73 S CB 1.253 64.455 63.200 0.004 0.000 0.965 73 S HN 0.684 nan 8.310 nan 0.000 0.534 74 A N 2.547 125.365 122.820 -0.003 0.000 1.933 74 A HA -0.038 4.280 4.320 -0.003 0.000 0.218 74 A C 2.450 180.033 177.584 -0.001 0.000 1.175 74 A CA 2.224 54.258 52.037 -0.004 0.000 0.628 74 A CB -1.351 17.640 19.000 -0.014 0.000 0.814 74 A HN 0.822 nan 8.150 nan 0.000 0.444 75 S N -0.472 115.227 115.700 -0.001 0.000 2.356 75 S HA -0.086 4.382 4.470 -0.003 0.000 0.223 75 S C 1.937 176.540 174.600 0.004 0.000 1.032 75 S CA 1.439 59.640 58.200 0.001 0.000 1.005 75 S CB -0.465 62.735 63.200 0.000 0.000 0.867 75 S HN 0.497 nan 8.310 nan 0.000 0.449 76 L N 1.020 122.247 121.223 0.007 0.000 2.093 76 L HA -0.030 4.308 4.340 -0.003 0.000 0.208 76 L C 2.954 179.832 176.870 0.012 0.000 1.085 76 L CA 1.112 55.959 54.840 0.012 0.000 0.755 76 L CB -0.753 41.315 42.059 0.016 0.000 0.904 76 L HN 0.410 nan 8.230 nan 0.000 0.435 77 A N 0.270 123.096 122.820 0.010 0.000 1.902 77 A HA -0.163 4.156 4.320 -0.003 0.000 0.217 77 A C 2.554 180.142 177.584 0.007 0.000 1.181 77 A CA 1.742 53.784 52.037 0.008 0.000 0.623 77 A CB -0.648 18.356 19.000 0.007 0.000 0.818 77 A HN 0.390 nan 8.150 nan 0.000 0.443 78 A N -0.584 122.239 122.820 0.006 0.000 1.902 78 A HA -0.138 4.180 4.320 -0.003 0.000 0.217 78 A C 1.976 179.563 177.584 0.006 0.000 1.181 78 A CA 1.640 53.680 52.037 0.005 0.000 0.623 78 A CB -0.412 18.590 19.000 0.003 0.000 0.818 78 A HN 0.468 nan 8.150 nan 0.000 0.443 79 E N -0.251 119.954 120.200 0.008 0.000 2.077 79 E HA -0.156 4.192 4.350 -0.003 0.000 0.193 79 E C 1.900 178.507 176.600 0.012 0.000 0.989 79 E CA 1.027 57.432 56.400 0.009 0.000 0.800 79 E CB -0.380 29.326 29.700 0.010 0.000 0.746 79 E HN 0.489 nan 8.360 nan 0.000 0.452 80 L N 0.910 122.142 121.223 0.015 0.000 2.201 80 L HA -0.113 4.225 4.340 -0.003 0.000 0.212 80 L C 2.420 179.297 176.870 0.012 0.000 1.105 80 L CA 0.894 55.745 54.840 0.019 0.000 0.775 80 L CB -0.686 41.388 42.059 0.025 0.000 0.913 80 L HN 0.125 nan 8.230 nan 0.000 0.440 81 L N -1.170 120.057 121.223 0.007 0.000 2.027 81 L HA -0.218 4.120 4.340 -0.003 0.000 0.206 81 L C 2.365 179.237 176.870 0.004 0.000 1.074 81 L CA 1.376 56.218 54.840 0.003 0.000 0.745 81 L CB -0.084 41.976 42.059 0.001 0.000 0.898 81 L HN 0.215 nan 8.230 nan 0.000 0.433 82 L N -0.139 121.087 121.223 0.006 0.000 2.083 82 L HA -0.214 4.124 4.340 -0.003 0.000 0.209 82 L C 2.940 179.814 176.870 0.007 0.000 1.083 82 L CA 1.578 56.421 54.840 0.005 0.000 0.752 82 L CB -0.685 41.378 42.059 0.006 0.000 0.899 82 L HN 0.418 nan 8.230 nan 0.000 0.433 83 R N -0.046 120.460 120.500 0.010 0.000 2.070 83 R HA -0.152 4.186 4.340 -0.003 0.000 0.232 83 R C 1.571 177.878 176.300 0.012 0.000 1.138 83 R CA 1.803 57.910 56.100 0.012 0.000 0.936 83 R CB -0.682 29.628 30.300 0.016 0.000 0.839 83 R HN 0.221 nan 8.270 nan 0.000 0.429 84 D N 0.325 120.733 120.400 0.013 0.000 2.162 84 D HA 0.139 4.777 4.640 -0.003 0.000 0.203 84 D C 1.023 177.326 176.300 0.005 0.000 0.967 84 D CA 1.613 55.621 54.000 0.012 0.000 0.840 84 D CB 0.086 40.894 40.800 0.013 0.000 0.972 84 D HN 0.575 nan 8.370 nan 0.000 0.482 85 G N 0.629 109.430 108.800 0.002 0.000 2.525 85 G HA2 -0.083 3.875 3.960 -0.003 0.000 0.685 85 G HA3 -0.083 3.875 3.960 -0.003 0.000 0.685 85 G C -2.695 172.200 174.900 -0.009 0.000 1.290 85 G CA -0.828 44.271 45.100 -0.002 0.000 0.915 85 G HN -0.040 nan 8.290 nan 0.000 0.548 86 P HA 0.219 nan 4.420 nan 0.000 0.274 86 P C -0.108 177.170 177.300 -0.036 0.000 1.237 86 P CA -0.490 62.597 63.100 -0.021 0.000 0.793 86 P CB 0.526 32.216 31.700 -0.017 0.000 0.977 87 N N 0.049 118.717 118.700 -0.052 0.000 3.178 87 N HA 0.323 5.061 4.740 -0.003 0.000 0.300 87 N C -0.883 174.568 175.510 -0.099 0.000 1.242 87 N CA -0.303 52.695 53.050 -0.087 0.000 1.192 87 N CB -0.374 38.046 38.487 -0.111 0.000 1.463 87 N HN 0.406 nan 8.380 nan 0.000 0.539 88 A N 1.898 124.676 122.820 -0.069 0.000 2.539 88 A HA 0.464 4.782 4.320 -0.003 0.000 0.296 88 A C -0.682 176.881 177.584 -0.036 0.000 1.073 88 A CA -0.689 51.314 52.037 -0.056 0.000 0.700 88 A CB 1.150 20.131 19.000 -0.031 0.000 1.296 88 A HN 0.344 nan 8.150 nan 0.000 0.405 89 L N 1.497 122.707 121.223 -0.022 0.000 2.397 89 L HA 0.429 4.767 4.340 -0.003 0.000 0.271 89 L C 0.936 177.809 176.870 0.005 0.000 1.148 89 L CA -0.332 54.508 54.840 -0.001 0.000 0.825 89 L CB 0.683 42.753 42.059 0.018 0.000 1.117 89 L HN 0.778 nan 8.230 nan 0.000 0.456 90 R N 4.474 124.979 120.500 0.008 0.000 2.207 90 R HA 0.351 4.690 4.340 -0.003 0.000 0.334 90 R C -2.332 173.977 176.300 0.014 0.000 1.013 90 R CA -1.463 54.643 56.100 0.010 0.000 0.858 90 R CB 0.948 31.253 30.300 0.009 0.000 1.094 90 R HN 0.361 nan 8.270 nan 0.000 0.457 91 P HA 0.319 nan 4.420 nan 0.000 0.276 91 P C -2.547 174.764 177.300 0.018 0.000 1.244 91 P CA -1.227 61.884 63.100 0.018 0.000 0.801 91 P CB 0.074 31.785 31.700 0.019 0.000 1.006 92 P HA 0.202 nan 4.420 nan 0.000 0.273 92 P C 0.213 177.526 177.300 0.022 0.000 1.250 92 P CA -0.174 62.938 63.100 0.020 0.000 0.793 92 P CB 0.505 32.217 31.700 0.021 0.000 1.011 93 R N -0.098 120.416 120.500 0.023 0.000 2.580 93 R HA 0.433 4.771 4.340 -0.003 0.000 0.267 93 R C 1.002 177.320 176.300 0.029 0.000 1.125 93 R CA -0.449 55.667 56.100 0.026 0.000 1.188 93 R CB -0.373 29.944 30.300 0.028 0.000 1.155 93 R HN 0.582 nan 8.270 nan 0.000 0.586 94 G N -0.050 108.769 108.800 0.032 0.000 2.712 94 G HA2 0.091 4.049 3.960 -0.003 0.000 0.258 94 G HA3 0.091 4.049 3.960 -0.003 0.000 0.258 94 G C -0.660 174.265 174.900 0.041 0.000 1.241 94 G CA -0.203 44.918 45.100 0.034 0.000 0.923 94 G HN 0.382 nan 8.290 nan 0.000 0.548 95 T N 2.101 116.682 114.554 0.045 0.000 2.779 95 T HA 0.485 4.833 4.350 -0.003 0.000 0.280 95 T C -2.154 172.588 174.700 0.071 0.000 0.987 95 T CA -0.547 61.586 62.100 0.055 0.000 0.966 95 T CB 1.666 70.566 68.868 0.052 0.000 0.933 95 T HN 0.270 nan 8.240 nan 0.000 0.442 96 P HA 0.155 nan 4.420 nan 0.000 0.268 96 P C 0.993 178.368 177.300 0.126 0.000 1.208 96 P CA -0.289 62.892 63.100 0.136 0.000 0.777 96 P CB 0.726 32.536 31.700 0.183 0.000 0.875 97 E N 0.579 120.829 120.200 0.083 0.000 2.106 97 E HA -0.151 4.197 4.350 -0.003 0.000 0.192 97 E C 1.799 178.361 176.600 -0.063 0.000 0.984 97 E CA 1.614 57.991 56.400 -0.039 0.000 0.806 97 E CB -0.523 29.056 29.700 -0.202 0.000 0.750 97 E HN 0.557 nan 8.360 nan 0.000 0.458 98 Y N 0.702 121.046 120.300 0.072 0.000 2.145 98 Y HA -0.197 4.351 4.550 -0.003 0.000 0.286 98 Y C 2.601 178.569 175.900 0.114 0.000 1.145 98 Y CA 1.313 59.461 58.100 0.080 0.000 1.148 98 Y CB -0.997 37.492 38.460 0.049 0.000 0.981 98 Y HN -0.022 nan 8.280 nan 0.000 0.507 99 V N -1.666 118.400 119.914 0.253 0.000 2.490 99 V HA -0.194 3.924 4.120 -0.003 0.000 0.250 99 V C 2.086 178.264 176.094 0.140 0.000 1.061 99 V CA 1.579 63.979 62.300 0.166 0.000 1.064 99 V CB -0.471 31.424 31.823 0.121 0.000 0.670 99 V HN 0.187 nan 8.190 nan 0.000 0.461 100 K N -0.102 120.384 120.400 0.143 0.000 2.057 100 K HA -0.090 4.228 4.320 -0.003 0.000 0.207 100 K C 1.992 178.683 176.600 0.150 0.000 1.049 100 K CA 1.961 58.326 56.287 0.129 0.000 0.931 100 K CB -0.693 31.888 32.500 0.135 0.000 0.714 100 K HN 0.632 nan 8.250 nan 0.000 0.440 101 F N 1.320 121.305 119.950 0.057 0.000 2.163 101 F HA -0.081 4.444 4.527 -0.003 0.000 0.297 101 F C 2.137 177.978 175.800 0.067 0.000 1.094 101 F CA 1.151 59.183 58.000 0.052 0.000 1.290 101 F CB -0.237 38.759 39.000 -0.007 0.000 1.017 101 F HN -0.002 nan 8.300 nan 0.000 0.483 102 A N 0.529 123.448 122.820 0.164 0.000 1.933 102 A HA -0.172 4.146 4.320 -0.003 0.000 0.218 102 A C 2.291 179.878 177.584 0.005 0.000 1.175 102 A CA 1.553 53.651 52.037 0.102 0.000 0.628 102 A CB -0.651 18.427 19.000 0.131 0.000 0.814 102 A HN 0.429 nan 8.150 nan 0.000 0.444 103 R N -0.688 119.812 120.500 0.001 0.000 2.096 103 R HA -0.112 4.226 4.340 -0.003 0.000 0.235 103 R C 2.180 178.458 176.300 -0.037 0.000 1.127 103 R CA 1.312 57.408 56.100 -0.006 0.000 0.968 103 R CB -0.237 30.069 30.300 0.010 0.000 0.861 103 R HN 0.518 nan 8.270 nan 0.000 0.440 104 Q N 0.718 120.452 119.800 -0.109 0.000 2.224 104 Q HA -0.072 4.266 4.340 -0.003 0.000 0.203 104 Q C 2.229 178.157 176.000 -0.119 0.000 0.970 104 Q CA 1.026 56.743 55.803 -0.144 0.000 0.865 104 Q CB -0.159 28.412 28.738 -0.279 0.000 0.922 104 Q HN 0.425 nan 8.270 nan 0.000 0.445 105 L N 0.100 121.255 121.223 -0.114 0.000 2.127 105 L HA -0.185 4.153 4.340 -0.003 0.000 0.211 105 L C 2.371 179.351 176.870 0.183 0.000 1.089 105 L CA 1.074 55.944 54.840 0.049 0.000 0.757 105 L CB -0.657 41.491 42.059 0.147 0.000 0.899 105 L HN 0.133 nan 8.230 nan 0.000 0.434 106 A N 0.122 123.003 122.820 0.103 0.000 1.855 106 A HA -0.008 4.310 4.320 -0.003 0.000 0.215 106 A C 2.009 179.657 177.584 0.107 0.000 1.191 106 A CA 1.169 53.281 52.037 0.125 0.000 0.613 106 A CB -1.168 17.865 19.000 0.055 0.000 0.829 106 A HN 0.462 nan 8.150 nan 0.000 0.442 107 G N -1.501 107.329 108.800 0.051 0.000 2.420 107 G HA2 0.044 4.002 3.960 -0.003 0.000 0.305 107 G HA3 0.044 4.002 3.960 -0.003 0.000 0.305 107 G C 1.712 176.639 174.900 0.046 0.000 0.971 107 G CA 1.397 46.517 45.100 0.033 0.000 0.843 107 G HN 2.118 nan 8.290 nan 0.000 0.512 108 G N -0.562 108.275 108.800 0.061 0.000 3.377 108 G HA2 -0.391 3.567 3.960 -0.003 0.000 0.304 108 G HA3 -0.391 3.567 3.960 -0.003 0.000 0.304 108 G C 1.281 176.222 174.900 0.069 0.000 1.366 108 G CA 0.791 45.929 45.100 0.063 0.000 1.020 108 G HN 1.148 nan 8.290 nan 0.000 0.621 109 L N 1.656 122.911 121.223 0.053 0.000 2.187 109 L HA -0.136 4.202 4.340 -0.003 0.000 0.213 109 L C 3.239 180.122 176.870 0.021 0.000 1.100 109 L CA 1.959 56.822 54.840 0.039 0.000 0.765 109 L CB -0.574 41.502 42.059 0.028 0.000 0.904 109 L HN 0.466 nan 8.230 nan 0.000 0.437 110 Q N -0.374 119.443 119.800 0.029 0.000 2.061 110 Q HA -0.221 4.117 4.340 -0.003 0.000 0.204 110 Q C 2.483 178.566 176.000 0.139 0.000 0.984 110 Q CA 1.980 57.786 55.803 0.005 0.000 0.846 110 Q CB -1.003 27.792 28.738 0.095 0.000 0.902 110 Q HN 0.573 nan 8.270 nan 0.000 0.421 111 C N 0.647 120.139 119.300 0.319 0.000 2.429 111 C HA -0.073 4.385 4.460 -0.003 0.000 0.277 111 C C 2.917 178.100 174.990 0.323 0.000 1.262 111 C CA 0.321 59.634 59.018 0.491 0.000 1.733 111 C CB -1.246 26.626 27.740 0.220 0.000 2.010 111 C HN 0.431 nan 8.230 nan 0.000 0.483 112 L N -0.228 121.085 121.223 0.151 0.000 2.083 112 L HA -0.202 4.136 4.340 -0.003 0.000 0.209 112 L C 2.550 179.455 176.870 0.058 0.000 1.083 112 L CA 1.390 56.284 54.840 0.089 0.000 0.752 112 L CB -0.549 41.538 42.059 0.047 0.000 0.899 112 L HN 0.266 nan 8.230 nan 0.000 0.433 113 M N -1.393 118.197 119.600 -0.017 0.000 2.229 113 M HA -0.165 4.313 4.480 -0.003 0.000 0.264 113 M C 1.843 178.072 176.300 -0.119 0.000 1.063 113 M CA 1.936 57.163 55.300 -0.122 0.000 1.114 113 M CB -0.580 31.867 32.600 -0.255 0.000 1.387 113 M HN 0.168 nan 8.290 nan 0.000 0.420 114 W N -1.562 119.736 121.300 -0.004 0.000 2.358 114 W HA -0.109 4.549 4.660 -0.003 0.000 0.303 114 W C 2.444 178.963 176.519 0.000 0.000 1.208 114 W CA 0.801 58.143 57.345 -0.004 0.000 1.274 114 W CB -1.002 28.457 29.460 -0.002 0.000 1.138 114 W HN -0.009 nan 8.180 nan 0.000 0.515 115 V N 0.836 120.888 119.914 0.230 0.000 2.407 115 V HA -0.271 3.847 4.120 -0.003 0.000 0.248 115 V C 2.185 178.338 176.094 0.098 0.000 1.055 115 V CA 2.261 64.647 62.300 0.144 0.000 1.049 115 V CB -0.875 31.012 31.823 0.107 0.000 0.662 115 V HN 0.151 nan 8.190 nan 0.000 0.455 116 A N -0.303 122.554 122.820 0.060 0.000 1.873 116 A HA -0.032 4.286 4.320 -0.003 0.000 0.215 116 A C 2.423 180.021 177.584 0.024 0.000 1.186 116 A CA 2.010 54.062 52.037 0.025 0.000 0.616 116 A CB -0.997 17.996 19.000 -0.012 0.000 0.823 116 A HN 0.731 nan 8.150 nan 0.000 0.442 117 A N -0.091 122.737 122.820 0.014 0.000 1.902 117 A HA 0.143 4.461 4.320 -0.003 0.000 0.217 117 A C 2.513 180.125 177.584 0.046 0.000 1.181 117 A CA 2.203 54.241 52.037 0.003 0.000 0.623 117 A CB -1.057 17.929 19.000 -0.023 0.000 0.818 117 A HN 1.068 nan 8.150 nan 0.000 0.443 118 A N 0.421 123.298 122.820 0.096 0.000 1.902 118 A HA -0.051 4.267 4.320 -0.003 0.000 0.217 118 A C 2.043 179.676 177.584 0.082 0.000 1.181 118 A CA 1.796 53.891 52.037 0.097 0.000 0.623 118 A CB -0.780 18.288 19.000 0.114 0.000 0.818 118 A HN 1.039 nan 8.150 nan 0.000 0.443 119 I N -2.059 118.561 120.570 0.083 0.000 2.439 119 I HA -0.133 4.035 4.170 -0.003 0.000 0.251 119 I C 2.129 178.298 176.117 0.086 0.000 1.139 119 I CA 0.936 62.292 61.300 0.093 0.000 1.438 119 I CB -1.480 36.587 38.000 0.113 0.000 1.085 119 I HN 0.201 nan 8.210 nan 0.000 0.427 120 C N 0.605 119.941 119.300 0.060 0.000 2.422 120 C HA 0.016 4.474 4.460 -0.003 0.000 0.279 120 C C 2.659 177.699 174.990 0.083 0.000 1.305 120 C CA 0.419 59.468 59.018 0.052 0.000 1.757 120 C CB -1.335 26.414 27.740 0.015 0.000 1.962 120 C HN 0.552 nan 8.230 nan 0.000 0.499 121 L N 0.489 121.759 121.223 0.078 0.000 2.201 121 L HA -0.029 4.309 4.340 -0.003 0.000 0.212 121 L C 2.213 179.167 176.870 0.141 0.000 1.105 121 L CA 1.505 56.412 54.840 0.111 0.000 0.775 121 L CB -0.658 41.443 42.059 0.070 0.000 0.913 121 L HN 0.332 nan 8.230 nan 0.000 0.440 122 I N -0.787 119.848 120.570 0.108 0.000 2.264 122 I HA -0.328 3.840 4.170 -0.003 0.000 0.248 122 I C 2.569 178.743 176.117 0.096 0.000 1.111 122 I CA 1.197 62.556 61.300 0.099 0.000 1.382 122 I CB -0.519 37.535 38.000 0.091 0.000 1.060 122 I HN 0.243 nan 8.210 nan 0.000 0.418 123 A N 0.534 123.414 122.820 0.100 0.000 1.873 123 A HA -0.232 4.086 4.320 -0.003 0.000 0.215 123 A C 2.228 179.863 177.584 0.084 0.000 1.186 123 A CA 1.336 53.417 52.037 0.074 0.000 0.616 123 A CB -0.936 18.105 19.000 0.068 0.000 0.823 123 A HN 0.411 nan 8.150 nan 0.000 0.442 124 F N 0.820 120.773 119.950 0.006 0.000 2.146 124 F HA -0.036 4.489 4.527 -0.003 0.000 0.298 124 F C 2.536 178.344 175.800 0.012 0.000 1.096 124 F CA 1.075 59.078 58.000 0.005 0.000 1.275 124 F CB -0.297 38.703 39.000 0.000 0.000 1.008 124 F HN 0.250 nan 8.300 nan 0.000 0.480 125 A N 0.506 123.415 122.820 0.148 0.000 1.873 125 A HA -0.137 4.182 4.320 -0.003 0.000 0.215 125 A C 2.260 179.839 177.584 -0.009 0.000 1.186 125 A CA 1.936 54.017 52.037 0.074 0.000 0.616 125 A CB -1.139 17.923 19.000 0.102 0.000 0.823 125 A HN 0.453 nan 8.150 nan 0.000 0.442 126 I N -0.733 119.842 120.570 0.009 0.000 2.252 126 I HA -0.278 3.890 4.170 -0.003 0.000 0.245 126 I C 2.812 178.901 176.117 -0.046 0.000 1.102 126 I CA 1.732 63.039 61.300 0.011 0.000 1.385 126 I CB -0.361 37.664 38.000 0.042 0.000 1.064 126 I HN 0.532 nan 8.210 nan 0.000 0.414 127 Q N 1.248 120.984 119.800 -0.107 0.000 2.020 127 Q HA -0.224 4.114 4.340 -0.003 0.000 0.202 127 Q C 2.365 178.233 176.000 -0.221 0.000 0.982 127 Q CA 2.024 57.733 55.803 -0.157 0.000 0.838 127 Q CB -0.146 28.475 28.738 -0.195 0.000 0.899 127 Q HN 0.515 nan 8.270 nan 0.000 0.423 128 A N 0.142 122.736 122.820 -0.376 0.000 1.940 128 A HA -0.189 4.129 4.320 -0.003 0.000 0.219 128 A C 2.144 179.628 177.584 -0.166 0.000 1.176 128 A CA 1.790 53.607 52.037 -0.367 0.000 0.631 128 A CB -0.842 17.872 19.000 -0.475 0.000 0.814 128 A HN 0.477 nan 8.150 nan 0.000 0.446 129 S N -0.677 114.958 115.700 -0.108 0.000 2.355 129 S HA -0.149 4.319 4.470 -0.003 0.000 0.210 129 S C 1.959 176.537 174.600 -0.037 0.000 1.035 129 S CA 1.438 59.609 58.200 -0.049 0.000 1.011 129 S CB -0.409 62.781 63.200 -0.016 0.000 1.000 129 S HN 0.630 nan 8.310 nan 0.000 0.423 130 E N 0.064 120.252 120.200 -0.021 0.000 2.028 130 E HA 0.049 4.397 4.350 -0.003 0.000 0.190 130 E C 0.841 177.432 176.600 -0.015 0.000 0.984 130 E CA 0.838 57.236 56.400 -0.004 0.000 0.800 130 E CB -0.244 29.470 29.700 0.023 0.000 0.758 130 E HN 0.533 nan 8.360 nan 0.000 0.448 131 G N 1.623 110.405 108.800 -0.030 0.000 3.039 131 G HA2 0.124 4.082 3.960 -0.003 0.000 0.329 131 G HA3 0.124 4.082 3.960 -0.003 0.000 0.329 131 G C -1.391 173.472 174.900 -0.060 0.000 1.361 131 G CA -0.573 44.509 45.100 -0.030 0.000 1.088 131 G HN -0.092 nan 8.290 nan 0.000 0.501 132 D N 2.253 122.617 120.400 -0.061 0.000 2.363 132 D HA 0.104 4.742 4.640 -0.003 0.000 0.263 132 D C 0.258 176.516 176.300 -0.069 0.000 1.258 132 D CA 0.258 54.206 54.000 -0.086 0.000 0.907 132 D CB 0.422 41.184 40.800 -0.063 0.000 1.107 132 D HN 0.159 nan 8.370 nan 0.000 0.495 133 L N 3.811 124.979 121.223 -0.091 0.000 2.295 133 L HA 0.224 4.562 4.340 -0.003 0.000 0.281 133 L C 0.634 177.481 176.870 -0.037 0.000 1.018 133 L CA -0.693 54.118 54.840 -0.047 0.000 0.841 133 L CB 1.581 43.622 42.059 -0.030 0.000 1.218 133 L HN 0.294 nan 8.230 nan 0.000 0.424 134 T N 2.591 117.137 114.554 -0.014 0.000 2.775 134 T HA 0.343 4.691 4.350 -0.003 0.000 0.287 134 T C -0.132 174.591 174.700 0.038 0.000 0.909 134 T CA 0.339 62.449 62.100 0.017 0.000 1.081 134 T CB -0.306 68.567 68.868 0.010 0.000 0.891 134 T HN 0.683 nan 8.240 nan 0.000 0.544 135 T N 3.991 118.601 114.554 0.093 0.000 2.840 135 T HA 0.235 4.583 4.350 -0.003 0.000 0.317 135 T C 0.015 174.831 174.700 0.192 0.000 1.401 135 T CA -0.808 61.344 62.100 0.087 0.000 1.028 135 T CB 1.650 70.548 68.868 0.050 0.000 1.317 135 T HN 0.305 nan 8.240 nan 0.000 0.495 136 D N 1.031 121.506 120.400 0.124 0.000 2.355 136 D HA -0.049 4.589 4.640 -0.003 0.000 0.218 136 D C 1.804 178.257 176.300 0.256 0.000 1.004 136 D CA 0.484 54.621 54.000 0.228 0.000 0.880 136 D CB 0.098 40.738 40.800 -0.268 0.000 0.911 136 D HN 0.672 nan 8.370 nan 0.000 0.528 137 D N 1.204 121.683 120.400 0.132 0.000 2.108 137 D HA -0.222 4.416 4.640 -0.003 0.000 0.190 137 D C 1.374 177.732 176.300 0.097 0.000 0.995 137 D CA 1.124 55.167 54.000 0.072 0.000 0.834 137 D CB -0.546 40.257 40.800 0.005 0.000 0.967 137 D HN 0.056 nan 8.370 nan 0.000 0.446 138 N N 0.085 118.868 118.700 0.138 0.000 2.300 138 N HA -0.042 4.696 4.740 -0.003 0.000 0.179 138 N C 2.048 177.594 175.510 0.061 0.000 1.016 138 N CA 0.233 53.351 53.050 0.113 0.000 0.876 138 N CB -0.189 38.401 38.487 0.173 0.000 0.979 138 N HN 0.187 nan 8.380 nan 0.000 0.432 139 L N 0.346 121.577 121.223 0.013 0.000 2.005 139 L HA -0.092 4.247 4.340 -0.003 0.000 0.207 139 L C 1.808 178.500 176.870 -0.296 0.000 1.072 139 L CA 1.620 56.243 54.840 -0.361 0.000 0.744 139 L CB -0.834 40.779 42.059 -0.745 0.000 0.895 139 L HN 0.033 nan 8.230 nan 0.000 0.433 140 Y N -1.240 118.984 120.300 -0.126 0.000 2.242 140 Y HA -0.196 4.352 4.550 -0.003 0.000 0.291 140 Y C 2.286 178.140 175.900 -0.076 0.000 1.137 140 Y CA 1.492 59.537 58.100 -0.091 0.000 1.181 140 Y CB -0.520 37.903 38.460 -0.061 0.000 0.989 140 Y HN 0.255 nan 8.280 nan 0.000 0.527 141 L N 0.295 121.558 121.223 0.067 0.000 2.017 141 L HA -0.165 4.173 4.340 -0.003 0.000 0.208 141 L C 2.347 179.195 176.870 -0.036 0.000 1.073 141 L CA 2.109 56.955 54.840 0.011 0.000 0.745 141 L CB -1.116 40.941 42.059 -0.002 0.000 0.894 141 L HN 0.118 nan 8.230 nan 0.000 0.432 142 A N -0.569 122.215 122.820 -0.060 0.000 1.933 142 A HA -0.189 4.129 4.320 -0.003 0.000 0.218 142 A C 2.383 179.901 177.584 -0.110 0.000 1.175 142 A CA 1.901 53.892 52.037 -0.077 0.000 0.628 142 A CB -0.978 17.975 19.000 -0.079 0.000 0.814 142 A HN 0.568 nan 8.150 nan 0.000 0.444 143 L N -0.713 120.422 121.223 -0.148 0.000 2.017 143 L HA -0.158 4.180 4.340 -0.003 0.000 0.208 143 L C 2.833 179.627 176.870 -0.127 0.000 1.073 143 L CA 1.517 56.260 54.840 -0.163 0.000 0.745 143 L CB -0.424 41.491 42.059 -0.240 0.000 0.894 143 L HN 0.402 nan 8.230 nan 0.000 0.432 144 A N 0.098 122.865 122.820 -0.089 0.000 1.908 144 A HA -0.209 4.109 4.320 -0.003 0.000 0.218 144 A C 2.151 179.659 177.584 -0.126 0.000 1.181 144 A CA 1.725 53.713 52.037 -0.082 0.000 0.627 144 A CB -0.806 18.163 19.000 -0.051 0.000 0.818 144 A HN 0.523 nan 8.150 nan 0.000 0.445 145 L N -0.113 121.027 121.223 -0.137 0.000 2.012 145 L HA -0.224 4.114 4.340 -0.003 0.000 0.210 145 L C 2.681 179.376 176.870 -0.292 0.000 1.073 145 L CA 1.893 56.627 54.840 -0.177 0.000 0.748 145 L CB -0.851 41.118 42.059 -0.150 0.000 0.891 145 L HN 0.692 nan 8.230 nan 0.000 0.431 146 I N -2.180 118.182 120.570 -0.346 0.000 2.233 146 I HA -0.121 4.047 4.170 -0.003 0.000 0.243 146 I C 2.681 178.538 176.117 -0.433 0.000 1.093 146 I CA 1.408 62.350 61.300 -0.596 0.000 1.380 146 I CB -0.706 36.988 38.000 -0.511 0.000 1.067 146 I HN 0.038 nan 8.210 nan 0.000 0.413 147 A N 1.017 123.696 122.820 -0.235 0.000 2.019 147 A HA -0.104 4.215 4.320 -0.003 0.000 0.219 147 A C 2.514 180.019 177.584 -0.132 0.000 1.164 147 A CA 1.717 53.673 52.037 -0.135 0.000 0.644 147 A CB -1.157 17.791 19.000 -0.087 0.000 0.805 147 A HN 0.388 nan 8.150 nan 0.000 0.449 148 V N -0.203 119.608 119.914 -0.172 0.000 2.469 148 V HA -0.219 3.899 4.120 -0.003 0.000 0.251 148 V C 2.444 178.443 176.094 -0.159 0.000 1.064 148 V CA 2.305 64.510 62.300 -0.158 0.000 1.066 148 V CB -0.310 31.412 31.823 -0.169 0.000 0.667 148 V HN 0.386 nan 8.190 nan 0.000 0.461 149 V N -0.979 118.812 119.914 -0.204 0.000 2.307 149 V HA -0.168 3.950 4.120 -0.003 0.000 0.245 149 V C 2.427 178.503 176.094 -0.029 0.000 1.045 149 V CA 1.957 64.164 62.300 -0.155 0.000 1.024 149 V CB -0.322 31.354 31.823 -0.245 0.000 0.651 149 V HN 0.450 nan 8.190 nan 0.000 0.449 150 V N 0.856 120.776 119.914 0.010 0.000 2.295 150 V HA -0.201 3.917 4.120 -0.003 0.000 0.246 150 V C 2.517 178.701 176.094 0.150 0.000 1.049 150 V CA 2.666 65.056 62.300 0.151 0.000 1.024 150 V CB 0.152 32.041 31.823 0.110 0.000 0.648 150 V HN 0.508 nan 8.190 nan 0.000 0.447 151 V N -2.969 116.979 119.914 0.056 0.000 2.379 151 V HA -0.149 3.969 4.120 -0.003 0.000 0.245 151 V C 2.350 178.489 176.094 0.074 0.000 1.044 151 V CA 2.469 64.808 62.300 0.066 0.000 1.036 151 V CB -1.586 30.242 31.823 0.009 0.000 0.664 151 V HN 0.513 nan 8.190 nan 0.000 0.453 152 T N 1.337 115.868 114.554 -0.039 0.000 2.777 152 T HA -0.005 4.343 4.350 -0.003 0.000 0.266 152 T C 1.896 176.612 174.700 0.027 0.000 1.040 152 T CA 1.890 63.906 62.100 -0.139 0.000 1.141 152 T CB -0.880 67.874 68.868 -0.190 0.000 0.868 152 T HN 0.719 nan 8.240 nan 0.000 0.444 153 G N 0.251 109.090 108.800 0.065 0.000 2.462 153 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.220 153 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.220 153 G C 1.834 176.904 174.900 0.282 0.000 1.121 153 G CA 1.120 46.261 45.100 0.068 0.000 0.758 153 G HN 0.562 nan 8.290 nan 0.000 0.559 154 C N -0.066 119.461 119.300 0.379 0.000 2.429 154 C HA 0.035 4.494 4.460 -0.003 0.000 0.277 154 C C 2.393 177.669 174.990 0.476 0.000 1.262 154 C CA 0.098 59.385 59.018 0.449 0.000 1.733 154 C CB -1.328 26.610 27.740 0.330 0.000 2.010 154 C HN 0.393 nan 8.230 nan 0.000 0.483 155 F N 1.986 122.028 119.950 0.153 0.000 2.111 155 F HA -0.146 4.379 4.527 -0.003 0.000 0.300 155 F C 2.435 178.343 175.800 0.181 0.000 1.088 155 F CA 1.929 60.004 58.000 0.124 0.000 1.243 155 F CB -1.200 37.829 39.000 0.048 0.000 0.996 155 F HN 0.304 nan 8.300 nan 0.000 0.483 156 G N -2.469 106.538 108.800 0.346 0.000 2.396 156 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.214 156 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.214 156 G C 1.561 176.603 174.900 0.236 0.000 1.166 156 G CA 0.618 45.857 45.100 0.232 0.000 0.793 156 G HN 0.455 nan 8.290 nan 0.000 0.533 157 Y N 0.010 120.436 120.300 0.210 0.000 2.314 157 Y HA -0.051 4.497 4.550 -0.003 0.000 0.293 157 Y C 2.297 178.288 175.900 0.152 0.000 1.129 157 Y CA 1.342 59.560 58.100 0.198 0.000 1.201 157 Y CB -0.152 38.488 38.460 0.301 0.000 0.999 157 Y HN 0.252 nan 8.280 nan 0.000 0.541 158 Y N 0.669 121.032 120.300 0.104 0.000 2.337 158 Y HA -0.075 4.473 4.550 -0.003 0.000 0.293 158 Y C 2.475 178.308 175.900 -0.113 0.000 1.123 158 Y CA 1.846 59.924 58.100 -0.037 0.000 1.201 158 Y CB -0.281 38.183 38.460 0.006 0.000 1.011 158 Y HN 0.308 nan 8.280 nan 0.000 0.545 159 Q N 0.432 120.264 119.800 0.053 0.000 2.387 159 Q HA 0.007 4.345 4.340 -0.003 0.000 0.212 159 Q C 0.793 176.746 176.000 -0.078 0.000 0.925 159 Q CA 0.385 56.165 55.803 -0.038 0.000 0.901 159 Q CB -0.018 28.768 28.738 0.081 0.000 1.020 159 Q HN 0.425 nan 8.270 nan 0.000 0.545 177 Q N 0.873 120.676 119.800 0.005 0.000 2.501 177 Q HA 0.996 5.334 4.340 -0.003 0.000 0.288 177 Q C -1.511 174.483 176.000 -0.011 0.000 1.051 177 Q CA -1.136 54.660 55.803 -0.013 0.000 0.788 177 Q CB 2.269 30.982 28.738 -0.042 0.000 1.469 177 Q HN 0.923 nan 8.270 nan 0.000 0.416 178 A N 0.494 123.302 122.820 -0.021 0.000 2.454 178 A HA 0.711 5.029 4.320 -0.003 0.000 0.302 178 A C -1.077 176.486 177.584 -0.035 0.000 1.079 178 A CA -0.631 51.398 52.037 -0.014 0.000 0.731 178 A CB 2.316 21.318 19.000 0.004 0.000 1.299 178 A HN 0.610 nan 8.150 nan 0.000 0.413 179 T N 1.312 115.850 114.554 -0.027 0.000 2.743 179 T HA 0.557 4.905 4.350 -0.003 0.000 0.292 179 T C -0.271 174.428 174.700 -0.001 0.000 0.972 179 T CA 0.028 62.110 62.100 -0.031 0.000 0.967 179 T CB -0.415 68.432 68.868 -0.035 0.000 0.926 179 T HN 1.603 nan 8.240 nan 0.000 0.459 180 V N 3.683 123.609 119.914 0.020 0.000 3.103 180 V HA 0.739 4.857 4.120 -0.003 0.000 0.318 180 V C -0.823 175.302 176.094 0.051 0.000 1.114 180 V CA -1.133 61.186 62.300 0.032 0.000 1.020 180 V CB 1.910 33.756 31.823 0.038 0.000 1.085 180 V HN 0.628 nan 8.190 nan 0.000 0.446 181 I N 2.076 122.670 120.570 0.039 0.000 2.355 181 I HA 0.637 4.805 4.170 -0.003 0.000 0.288 181 I C 0.046 176.186 176.117 0.038 0.000 0.999 181 I CA -0.258 61.068 61.300 0.043 0.000 1.163 181 I CB 1.087 39.104 38.000 0.028 0.000 1.316 181 I HN 0.779 nan 8.210 nan 0.000 0.454 182 R N 4.009 124.536 120.500 0.045 0.000 2.628 182 R HA 0.327 4.665 4.340 -0.003 0.000 0.288 182 R C -0.670 175.641 176.300 0.019 0.000 0.980 182 R CA -0.683 55.434 56.100 0.029 0.000 0.891 182 R CB 1.753 32.071 30.300 0.030 0.000 1.188 182 R HN 0.786 nan 8.270 nan 0.000 0.450 183 D N 1.200 121.607 120.400 0.011 0.000 2.686 183 D HA -0.207 4.431 4.640 -0.003 0.000 0.235 183 D C 0.688 176.994 176.300 0.009 0.000 1.160 183 D CA 1.311 55.314 54.000 0.005 0.000 0.645 183 D CB -1.489 39.309 40.800 -0.005 0.000 1.039 183 D HN 0.964 nan 8.370 nan 0.000 0.423 184 G N -1.068 107.741 108.800 0.015 0.000 2.196 184 G HA2 -0.349 3.610 3.960 -0.003 0.000 0.268 184 G HA3 -0.349 3.610 3.960 -0.003 0.000 0.268 184 G C -0.026 174.888 174.900 0.023 0.000 0.975 184 G CA 0.476 45.586 45.100 0.017 0.000 0.648 184 G HN 0.921 nan 8.290 nan 0.000 0.538 185 D N 0.490 120.907 120.400 0.028 0.000 2.248 185 D HA 0.571 5.209 4.640 -0.003 0.000 0.246 185 D C 0.394 176.736 176.300 0.071 0.000 1.027 185 D CA -0.694 53.332 54.000 0.043 0.000 0.853 185 D CB 0.819 41.639 40.800 0.035 0.000 1.243 185 D HN 0.527 nan 8.370 nan 0.000 0.462 186 K N 1.592 122.044 120.400 0.086 0.000 2.130 186 K HA 0.612 4.930 4.320 -0.003 0.000 0.268 186 K C -1.155 175.564 176.600 0.198 0.000 0.983 186 K CA -0.759 55.591 56.287 0.105 0.000 0.893 186 K CB 1.505 34.040 32.500 0.058 0.000 1.066 186 K HN 0.287 nan 8.250 nan 0.000 0.450 187 F N 1.298 121.249 119.950 0.002 0.000 2.654 187 F HA 0.175 4.701 4.527 -0.003 0.000 0.308 187 F C -1.518 174.284 175.800 0.003 0.000 1.108 187 F CA -0.736 57.265 58.000 0.003 0.000 0.957 187 F CB 2.211 41.212 39.000 0.002 0.000 1.309 187 F HN 0.748 nan 8.300 nan 0.000 0.446 188 Q N 5.574 124.843 119.800 -0.885 0.000 2.243 188 Q HA 0.700 5.038 4.340 -0.003 0.000 0.252 188 Q C -1.034 174.726 176.000 -0.399 0.000 0.909 188 Q CA -0.576 54.909 55.803 -0.529 0.000 0.922 188 Q CB 2.347 30.793 28.738 -0.488 0.000 1.215 188 Q HN 0.741 nan 8.270 nan 0.000 0.427 189 I N -1.503 119.008 120.570 -0.098 0.000 3.095 189 I HA 0.489 4.657 4.170 -0.003 0.000 0.310 189 I C -0.831 175.291 176.117 0.008 0.000 1.196 189 I CA -1.401 59.917 61.300 0.031 0.000 0.985 189 I CB 2.120 40.182 38.000 0.104 0.000 1.250 189 I HN 0.563 nan 8.210 nan 0.000 0.446 190 N N 2.189 120.907 118.700 0.030 0.000 2.412 190 N HA 0.099 4.837 4.740 -0.003 0.000 0.258 190 N C 0.941 176.458 175.510 0.011 0.000 1.236 190 N CA 0.929 53.990 53.050 0.017 0.000 0.882 190 N CB 1.725 40.226 38.487 0.022 0.000 1.066 190 N HN 0.867 nan 8.380 nan 0.000 0.465 191 A N 3.509 126.332 122.820 0.006 0.000 1.978 191 A HA -0.214 4.104 4.320 -0.003 0.000 0.220 191 A C 1.592 179.167 177.584 -0.015 0.000 1.170 191 A CA 1.816 53.854 52.037 0.002 0.000 0.636 191 A CB -0.411 18.599 19.000 0.017 0.000 0.810 191 A HN 0.871 nan 8.150 nan 0.000 0.448 192 D N -0.135 120.257 120.400 -0.012 0.000 2.178 192 D HA -0.233 4.405 4.640 -0.003 0.000 0.201 192 D C 1.659 177.947 176.300 -0.020 0.000 0.980 192 D CA 1.507 55.493 54.000 -0.024 0.000 0.842 192 D CB -0.842 39.950 40.800 -0.013 0.000 0.948 192 D HN 0.626 nan 8.370 nan 0.000 0.472 193 Q N -0.107 119.691 119.800 -0.004 0.000 2.291 193 Q HA 0.056 4.394 4.340 -0.003 0.000 0.205 193 Q C 0.666 176.663 176.000 -0.005 0.000 0.970 193 Q CA 0.146 55.951 55.803 0.004 0.000 0.876 193 Q CB 0.024 28.776 28.738 0.024 0.000 0.935 193 Q HN 0.394 nan 8.270 nan 0.000 0.455 194 L N 1.717 122.931 121.223 -0.016 0.000 2.490 194 L HA 0.069 4.407 4.340 -0.003 0.000 0.274 194 L C 0.114 176.960 176.870 -0.040 0.000 1.201 194 L CA -0.335 54.489 54.840 -0.026 0.000 0.869 194 L CB 0.142 42.180 42.059 -0.036 0.000 1.123 194 L HN -0.051 nan 8.230 nan 0.000 0.484 195 V N 1.451 121.340 119.914 -0.041 0.000 3.102 195 V HA 0.497 4.615 4.120 -0.003 0.000 0.312 195 V C -0.130 175.917 176.094 -0.078 0.000 1.135 195 V CA -1.057 61.214 62.300 -0.049 0.000 1.022 195 V CB 1.944 33.749 31.823 -0.029 0.000 1.056 195 V HN 0.412 nan 8.190 nan 0.000 0.436 196 V N 3.162 123.017 119.914 -0.098 0.000 2.673 196 V HA 0.539 4.657 4.120 -0.003 0.000 0.303 196 V C 1.438 177.406 176.094 -0.209 0.000 1.046 196 V CA 2.041 64.227 62.300 -0.191 0.000 1.126 196 V CB 0.345 32.043 31.823 -0.209 0.000 0.934 196 V HN 2.232 nan 8.190 nan 0.000 0.487 197 G N 4.823 113.442 108.800 -0.301 0.000 2.376 197 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.208 197 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.208 197 G C -0.017 174.826 174.900 -0.095 0.000 1.032 197 G CA 0.086 45.067 45.100 -0.198 0.000 0.641 197 G HN 0.736 nan 8.290 nan 0.000 0.503 198 D N 0.620 120.977 120.400 -0.072 0.000 2.361 198 D HA 0.489 5.127 4.640 -0.003 0.000 0.239 198 D C 0.342 176.621 176.300 -0.035 0.000 1.200 198 D CA -0.203 53.776 54.000 -0.035 0.000 0.915 198 D CB 1.131 41.918 40.800 -0.022 0.000 1.170 198 D HN 0.337 nan 8.370 nan 0.000 0.444 199 L N 1.286 122.501 121.223 -0.013 0.000 2.276 199 L HA 0.362 4.700 4.340 -0.003 0.000 0.286 199 L C -1.031 175.836 176.870 -0.005 0.000 1.061 199 L CA -0.271 54.564 54.840 -0.009 0.000 0.807 199 L CB 1.152 43.212 42.059 0.003 0.000 1.177 199 L HN 0.096 nan 8.230 nan 0.000 0.429 200 V N 4.588 124.495 119.914 -0.011 0.000 2.680 200 V HA 0.522 4.640 4.120 -0.003 0.000 0.309 200 V C -0.465 175.627 176.094 -0.003 0.000 1.052 200 V CA -0.804 61.492 62.300 -0.006 0.000 0.908 200 V CB 1.851 33.668 31.823 -0.009 0.000 1.001 200 V HN 0.780 nan 8.190 nan 0.000 0.431 201 E N 2.925 123.125 120.200 0.000 0.000 2.187 201 E HA 0.735 5.083 4.350 -0.003 0.000 0.268 201 E C -1.569 175.031 176.600 0.000 0.000 0.896 201 E CA -0.774 55.626 56.400 0.001 0.000 0.766 201 E CB 1.718 31.420 29.700 0.002 0.000 1.142 201 E HN 0.595 nan 8.360 nan 0.000 0.408 202 M N 3.711 123.311 119.600 0.001 0.000 2.518 202 M HA 0.402 4.880 4.480 -0.003 0.000 0.300 202 M C -0.774 175.528 176.300 0.003 0.000 1.175 202 M CA -0.743 54.559 55.300 0.003 0.000 0.890 202 M CB 2.001 34.605 32.600 0.007 0.000 1.710 202 M HN 0.336 nan 8.290 nan 0.000 0.453 203 K N 0.335 120.736 120.400 0.002 0.000 2.409 203 K HA 0.824 5.142 4.320 -0.003 0.000 0.252 203 K C -0.200 176.402 176.600 0.003 0.000 1.036 203 K CA -0.842 55.447 56.287 0.003 0.000 0.871 203 K CB 0.370 32.871 32.500 0.001 0.000 1.374 203 K HN 0.719 nan 8.250 nan 0.000 0.459 204 G N -0.933 107.869 108.800 0.004 0.000 2.353 204 G HA2 0.331 4.289 3.960 -0.003 0.000 0.239 204 G HA3 0.331 4.289 3.960 -0.003 0.000 0.239 204 G C 0.915 175.817 174.900 0.002 0.000 1.295 204 G CA 0.587 45.690 45.100 0.004 0.000 0.884 204 G HN 1.267 nan 8.290 nan 0.000 0.537 205 G N 2.143 110.944 108.800 0.002 0.000 2.254 205 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.225 205 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.225 205 G C 0.246 175.146 174.900 0.001 0.000 1.003 205 G CA 0.387 45.488 45.100 0.001 0.000 0.622 205 G HN 0.794 nan 8.290 nan 0.000 0.507 206 D N 0.479 120.880 120.400 0.002 0.000 2.423 206 D HA 0.665 5.303 4.640 -0.003 0.000 0.255 206 D C 0.906 177.209 176.300 0.004 0.000 1.174 206 D CA -0.158 53.844 54.000 0.003 0.000 1.008 206 D CB 0.464 41.267 40.800 0.006 0.000 1.101 206 D HN 0.352 nan 8.370 nan 0.000 0.516 207 R N -0.043 120.463 120.500 0.010 0.000 2.532 207 R HA 0.455 4.793 4.340 -0.003 0.000 0.295 207 R C -0.831 175.491 176.300 0.037 0.000 0.968 207 R CA -1.032 55.072 56.100 0.006 0.000 0.916 207 R CB 1.561 31.859 30.300 -0.004 0.000 1.124 207 R HN 0.227 nan 8.270 nan 0.000 0.463 208 V N 1.288 121.225 119.914 0.038 0.000 2.470 208 V HA 0.132 4.250 4.120 -0.003 0.000 0.276 208 V C -1.595 174.634 176.094 0.226 0.000 1.040 208 V CA -1.304 61.050 62.300 0.091 0.000 1.008 208 V CB 0.718 32.584 31.823 0.072 0.000 0.990 208 V HN 0.747 nan 8.190 nan 0.000 0.477 209 P HA 0.123 nan 4.420 nan 0.000 0.221 209 P C 0.442 177.865 177.300 0.206 0.000 1.150 209 P CA 1.742 64.975 63.100 0.223 0.000 0.800 209 P CB 0.463 32.215 31.700 0.086 0.000 0.787 210 A N -1.190 121.738 122.820 0.180 0.000 2.540 210 A HA 0.433 4.751 4.320 -0.003 0.000 0.291 210 A C -1.613 176.034 177.584 0.105 0.000 1.083 210 A CA -0.679 51.393 52.037 0.059 0.000 0.650 210 A CB 0.063 19.026 19.000 -0.062 0.000 1.292 210 A HN -0.208 nan 8.150 nan 0.000 0.435 211 D N 0.609 121.051 120.400 0.070 0.000 2.425 211 D HA 0.476 5.114 4.640 -0.003 0.000 0.247 211 D C -0.471 175.788 176.300 -0.070 0.000 1.147 211 D CA 0.943 54.953 54.000 0.017 0.000 0.879 211 D CB 1.054 41.886 40.800 0.054 0.000 1.179 211 D HN 0.533 nan 8.370 nan 0.000 0.456 212 I N 1.167 121.651 120.570 -0.143 0.000 2.828 212 I HA 0.391 4.559 4.170 -0.003 0.000 0.302 212 I C -0.973 175.058 176.117 -0.142 0.000 1.101 212 I CA -1.168 60.061 61.300 -0.119 0.000 1.031 212 I CB 1.958 39.908 38.000 -0.084 0.000 1.231 212 I HN 0.051 nan 8.210 nan 0.000 0.427 213 R N 6.891 127.338 120.500 -0.088 0.000 2.265 213 R HA 0.447 4.785 4.340 -0.003 0.000 0.328 213 R C -1.326 174.950 176.300 -0.040 0.000 0.969 213 R CA -0.541 55.526 56.100 -0.055 0.000 0.832 213 R CB 0.429 30.722 30.300 -0.012 0.000 1.139 213 R HN 0.427 nan 8.270 nan 0.000 0.457 214 I N 7.350 127.897 120.570 -0.038 0.000 2.421 214 I HA -0.060 4.108 4.170 -0.003 0.000 0.291 214 I C 1.136 177.251 176.117 -0.003 0.000 1.089 214 I CA 0.116 61.403 61.300 -0.022 0.000 1.354 214 I CB 0.727 38.715 38.000 -0.019 0.000 1.413 214 I HN 0.668 nan 8.210 nan 0.000 0.513 215 L N 7.118 128.341 121.223 -0.001 0.000 2.202 215 L HA 0.081 4.419 4.340 -0.003 0.000 0.205 215 L C 0.594 177.469 176.870 0.008 0.000 1.083 215 L CA 1.383 56.227 54.840 0.007 0.000 0.790 215 L CB 0.154 42.218 42.059 0.008 0.000 0.942 215 L HN 0.815 nan 8.230 nan 0.000 0.452 216 Q N -0.328 119.476 119.800 0.005 0.000 2.391 216 Q HA 0.704 5.042 4.340 -0.003 0.000 0.279 216 Q C -1.625 174.379 176.000 0.006 0.000 1.028 216 Q CA -0.782 55.025 55.803 0.007 0.000 0.836 216 Q CB 2.325 31.068 28.738 0.008 0.000 1.414 216 Q HN 0.091 nan 8.270 nan 0.000 0.397 217 A N 1.537 124.362 122.820 0.009 0.000 2.605 217 A HA 0.582 4.900 4.320 -0.003 0.000 0.294 217 A C -1.932 175.659 177.584 0.012 0.000 1.062 217 A CA -0.599 51.444 52.037 0.009 0.000 0.682 217 A CB 2.457 21.463 19.000 0.009 0.000 1.278 217 A HN 0.699 nan 8.150 nan 0.000 0.410 218 Q N 0.835 120.642 119.800 0.013 0.000 2.337 218 Q HA 0.480 4.818 4.340 -0.003 0.000 0.260 218 Q C 0.501 176.512 176.000 0.018 0.000 0.982 218 Q CA 0.281 56.093 55.803 0.016 0.000 0.734 218 Q CB 1.221 29.967 28.738 0.014 0.000 1.272 218 Q HN 2.557 nan 8.270 nan 0.000 0.461 219 G N 3.597 112.411 108.800 0.022 0.000 2.283 219 G HA2 -0.339 3.619 3.960 -0.003 0.000 0.280 219 G HA3 -0.339 3.619 3.960 -0.003 0.000 0.280 219 G C -0.103 174.809 174.900 0.019 0.000 1.029 219 G CA 0.823 45.938 45.100 0.024 0.000 0.840 219 G HN 0.574 nan 8.290 nan 0.000 0.505 220 R N -0.024 120.487 120.500 0.018 0.000 2.297 220 R HA 0.585 4.923 4.340 -0.003 0.000 0.308 220 R C 0.044 176.355 176.300 0.018 0.000 1.029 220 R CA -0.387 55.722 56.100 0.016 0.000 0.929 220 R CB 0.486 30.794 30.300 0.013 0.000 1.046 220 R HN 0.244 nan 8.270 nan 0.000 0.461 221 K N 2.988 123.399 120.400 0.018 0.000 2.328 221 K HA 0.444 4.763 4.320 -0.003 0.000 0.246 221 K C -0.992 175.621 176.600 0.022 0.000 0.955 221 K CA -0.943 55.357 56.287 0.022 0.000 0.817 221 K CB 2.399 34.910 32.500 0.019 0.000 1.208 221 K HN 0.474 nan 8.250 nan 0.000 0.432 222 V N -2.301 117.630 119.914 0.029 0.000 3.102 222 V HA 0.532 4.650 4.120 -0.003 0.000 0.312 222 V C -1.196 174.916 176.094 0.029 0.000 1.135 222 V CA -0.872 61.445 62.300 0.029 0.000 1.022 222 V CB 2.074 33.922 31.823 0.042 0.000 1.056 222 V HN 0.755 nan 8.190 nan 0.000 0.436 223 D N 1.923 122.336 120.400 0.022 0.000 2.414 223 D HA 0.371 5.009 4.640 -0.003 0.000 0.232 223 D C -0.649 175.658 176.300 0.013 0.000 1.070 223 D CA -0.274 53.734 54.000 0.013 0.000 0.839 223 D CB 1.297 42.098 40.800 0.001 0.000 1.079 223 D HN 0.647 nan 8.370 nan 0.000 0.521 224 N N 1.927 120.634 118.700 0.012 0.000 2.458 224 N HA -0.022 4.716 4.740 -0.003 0.000 0.274 224 N C 1.346 176.838 175.510 -0.031 0.000 1.242 224 N CA -0.055 52.998 53.050 0.005 0.000 0.904 224 N CB 0.858 39.359 38.487 0.024 0.000 1.206 224 N HN 0.364 nan 8.380 nan 0.000 0.510 225 S N -1.215 114.466 115.700 -0.031 0.000 2.423 225 S HA -0.070 4.398 4.470 -0.003 0.000 0.231 225 S C 1.904 176.474 174.600 -0.051 0.000 1.014 225 S CA 0.797 58.974 58.200 -0.039 0.000 0.965 225 S CB -0.060 63.122 63.200 -0.029 0.000 0.785 225 S HN 0.103 nan 8.310 nan 0.000 0.495 226 S N 1.962 117.627 115.700 -0.058 0.000 2.382 226 S HA 0.050 4.518 4.470 -0.003 0.000 0.228 226 S C 1.612 176.161 174.600 -0.085 0.000 1.027 226 S CA 1.376 59.534 58.200 -0.071 0.000 0.991 226 S CB -0.430 62.718 63.200 -0.088 0.000 0.823 226 S HN 0.381 nan 8.310 nan 0.000 0.469 227 L N 1.093 122.252 121.223 -0.106 0.000 2.084 227 L HA 0.038 4.376 4.340 -0.003 0.000 0.202 227 L C 2.839 179.641 176.870 -0.114 0.000 1.074 227 L CA 1.734 56.488 54.840 -0.143 0.000 0.757 227 L CB -1.508 40.415 42.059 -0.226 0.000 0.918 227 L HN 0.420 nan 8.230 nan 0.000 0.444 228 T N -4.061 110.434 114.554 -0.098 0.000 2.976 228 T HA 0.265 4.613 4.350 -0.003 0.000 0.257 228 T C 1.630 176.290 174.700 -0.067 0.000 1.051 228 T CA 0.697 62.744 62.100 -0.088 0.000 1.141 228 T CB -0.042 68.767 68.868 -0.098 0.000 0.881 228 T HN 0.415 nan 8.240 nan 0.000 0.461 229 G N 1.060 109.827 108.800 -0.056 0.000 2.175 229 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.244 229 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.244 229 G C -0.236 174.642 174.900 -0.037 0.000 0.982 229 G CA 0.008 45.084 45.100 -0.041 0.000 0.641 229 G HN 0.601 nan 8.290 nan 0.000 0.527 230 E N 0.468 120.641 120.200 -0.045 0.000 2.151 230 E HA 0.593 4.941 4.350 -0.003 0.000 0.275 230 E C 0.663 177.248 176.600 -0.024 0.000 0.936 230 E CA -0.227 56.151 56.400 -0.037 0.000 0.777 230 E CB 1.575 31.242 29.700 -0.056 0.000 1.108 230 E HN 0.080 nan 8.360 nan 0.000 0.401 231 S N 1.745 117.438 115.700 -0.011 0.000 2.446 231 S HA -0.076 4.392 4.470 -0.003 0.000 0.225 231 S C 0.580 175.185 174.600 0.009 0.000 1.016 231 S CA 0.248 58.446 58.200 -0.003 0.000 0.943 231 S CB -0.010 63.190 63.200 0.000 0.000 0.786 231 S HN 0.539 nan 8.310 nan 0.000 0.508 232 E N 3.368 123.578 120.200 0.017 0.000 2.415 232 E HA 0.090 4.438 4.350 -0.003 0.000 0.263 232 E C -2.635 173.988 176.600 0.038 0.000 0.995 232 E CA -1.686 54.733 56.400 0.032 0.000 0.915 232 E CB -0.282 29.447 29.700 0.049 0.000 0.951 232 E HN 0.091 nan 8.360 nan 0.000 0.449 233 P HA -0.073 nan 4.420 nan 0.000 0.267 233 P C -0.820 176.510 177.300 0.049 0.000 1.200 233 P CA 0.291 63.412 63.100 0.034 0.000 0.772 233 P CB 0.667 32.382 31.700 0.024 0.000 0.855 234 Q N 0.944 120.775 119.800 0.052 0.000 2.375 234 Q HA 0.352 4.690 4.340 -0.003 0.000 0.271 234 Q C -0.150 175.882 176.000 0.053 0.000 1.074 234 Q CA -0.539 55.305 55.803 0.068 0.000 0.808 234 Q CB 1.895 30.681 28.738 0.079 0.000 1.327 234 Q HN 0.361 nan 8.270 nan 0.000 0.441 235 T N 2.344 116.928 114.554 0.051 0.000 2.899 235 T HA 0.386 4.734 4.350 -0.003 0.000 0.295 235 T C 0.042 174.766 174.700 0.040 0.000 1.033 235 T CA -0.444 61.680 62.100 0.039 0.000 1.084 235 T CB 0.527 69.416 68.868 0.035 0.000 0.979 235 T HN 0.091 nan 8.240 nan 0.000 0.532 236 R N 1.946 122.463 120.500 0.029 0.000 2.480 236 R HA 0.591 4.929 4.340 -0.003 0.000 0.306 236 R C -0.493 175.818 176.300 0.020 0.000 0.958 236 R CA -0.600 55.513 56.100 0.022 0.000 0.861 236 R CB 1.740 32.046 30.300 0.010 0.000 1.171 236 R HN 0.866 nan 8.270 nan 0.000 0.445 237 S N 1.330 117.043 115.700 0.021 0.000 2.627 237 S HA 0.582 5.050 4.470 -0.003 0.000 0.283 237 S C -2.368 172.244 174.600 0.020 0.000 1.127 237 S CA -1.361 56.852 58.200 0.021 0.000 0.863 237 S CB 2.858 66.075 63.200 0.027 0.000 1.121 237 S HN 0.137 nan 8.310 nan 0.000 0.479 238 P HA 0.055 nan 4.420 nan 0.000 0.229 238 P C -0.025 177.293 177.300 0.030 0.000 1.160 238 P CA 0.730 63.843 63.100 0.021 0.000 0.777 238 P CB -0.142 31.569 31.700 0.018 0.000 0.814 239 E N -0.629 119.591 120.200 0.033 0.000 2.283 239 E HA 0.206 4.554 4.350 -0.003 0.000 0.278 239 E C -0.618 176.014 176.600 0.053 0.000 1.027 239 E CA -0.979 55.445 56.400 0.040 0.000 0.843 239 E CB 0.533 30.255 29.700 0.037 0.000 1.062 239 E HN -0.143 nan 8.360 nan 0.000 0.401 240 C N 4.664 124.005 119.300 0.068 0.000 2.651 240 C HA 0.082 4.540 4.460 -0.003 0.000 0.410 240 C C 1.390 176.432 174.990 0.086 0.000 1.372 240 C CA 0.010 59.084 59.018 0.094 0.000 1.707 240 C CB -0.773 27.053 27.740 0.143 0.000 2.501 240 C HN 0.924 nan 8.230 nan 0.000 0.598 241 T N 3.058 117.668 114.554 0.093 0.000 2.894 241 T HA 0.043 4.391 4.350 -0.003 0.000 0.258 241 T C 0.307 175.101 174.700 0.157 0.000 1.043 241 T CA 1.401 63.566 62.100 0.109 0.000 1.141 241 T CB -0.214 68.719 68.868 0.108 0.000 0.873 241 T HN 0.862 nan 8.240 nan 0.000 0.449 242 H N -0.922 118.173 119.070 0.041 0.000 2.990 242 H HA 0.405 4.959 4.556 -0.003 0.000 0.343 242 H C 0.654 176.002 175.328 0.034 0.000 1.270 242 H CA -0.595 55.475 56.048 0.038 0.000 1.118 242 H CB 1.522 31.300 29.762 0.027 0.000 1.861 242 H HN -0.077 nan 8.280 nan 0.000 0.544 243 E N 0.694 120.590 120.200 -0.506 0.000 2.150 243 E HA -0.066 4.282 4.350 -0.003 0.000 0.193 243 E C -0.033 176.577 176.600 0.016 0.000 0.985 243 E CA 0.651 56.954 56.400 -0.163 0.000 0.814 243 E CB 0.138 29.690 29.700 -0.248 0.000 0.752 243 E HN 0.285 nan 8.360 nan 0.000 0.466 244 S N 0.246 116.109 115.700 0.272 0.000 2.499 244 S HA 0.130 4.598 4.470 -0.003 0.000 0.275 244 S C -1.967 172.627 174.600 -0.009 0.000 1.257 244 S CA -1.668 56.619 58.200 0.145 0.000 1.050 244 S CB 1.097 64.406 63.200 0.182 0.000 0.937 244 S HN -0.028 nan 8.310 nan 0.000 0.490 245 P HA -0.013 nan 4.420 nan 0.000 0.218 245 P C 1.247 178.638 177.300 0.151 0.000 1.149 245 P CA 0.883 63.928 63.100 -0.092 0.000 0.817 245 P CB 0.082 31.765 31.700 -0.029 0.000 0.785 246 L N -0.937 120.339 121.223 0.089 0.000 2.217 246 L HA -0.116 4.222 4.340 -0.003 0.000 0.211 246 L C 2.394 179.310 176.870 0.076 0.000 1.107 246 L CA 1.269 56.127 54.840 0.030 0.000 0.783 246 L CB -0.552 41.438 42.059 -0.116 0.000 0.919 246 L HN -0.023 nan 8.230 nan 0.000 0.442 247 E N 0.115 120.350 120.200 0.058 0.000 2.122 247 E HA -0.059 4.289 4.350 -0.003 0.000 0.190 247 E C 0.980 177.633 176.600 0.089 0.000 0.977 247 E CA 0.437 56.863 56.400 0.044 0.000 0.820 247 E CB 0.068 29.759 29.700 -0.016 0.000 0.770 247 E HN 0.367 nan 8.360 nan 0.000 0.462 248 T N -1.524 113.086 114.554 0.093 0.000 2.932 248 T HA 0.095 4.443 4.350 -0.003 0.000 0.312 248 T C 0.959 175.704 174.700 0.076 0.000 1.071 248 T CA -0.273 61.874 62.100 0.079 0.000 1.128 248 T CB 1.044 69.926 68.868 0.023 0.000 0.984 248 T HN 0.083 nan 8.240 nan 0.000 0.549 249 R N 1.475 122.015 120.500 0.066 0.000 2.115 249 R HA -0.040 4.298 4.340 -0.003 0.000 0.226 249 R C 2.087 178.401 176.300 0.023 0.000 1.100 249 R CA 1.209 57.340 56.100 0.051 0.000 0.980 249 R CB -0.258 30.072 30.300 0.050 0.000 0.875 249 R HN 0.834 nan 8.270 nan 0.000 0.445 250 N N 0.737 119.449 118.700 0.019 0.000 2.515 250 N HA -0.058 4.680 4.740 -0.003 0.000 0.185 250 N C -0.110 175.368 175.510 -0.054 0.000 1.109 250 N CA 0.671 53.722 53.050 0.001 0.000 0.903 250 N CB 0.086 38.593 38.487 0.034 0.000 0.969 250 N HN 0.040 nan 8.380 nan 0.000 0.450 251 I N 0.561 121.063 120.570 -0.114 0.000 2.433 251 I HA 0.532 4.700 4.170 -0.003 0.000 0.292 251 I C -0.345 175.495 176.117 -0.462 0.000 1.001 251 I CA -1.342 59.770 61.300 -0.314 0.000 1.119 251 I CB 1.878 39.611 38.000 -0.445 0.000 1.289 251 I HN 0.100 nan 8.210 nan 0.000 0.438 252 A N 6.195 128.741 122.820 -0.456 0.000 2.318 252 A HA 0.851 5.169 4.320 -0.003 0.000 0.324 252 A C -1.156 176.177 177.584 -0.419 0.000 1.170 252 A CA -0.343 51.505 52.037 -0.315 0.000 0.810 252 A CB 0.385 19.317 19.000 -0.113 0.000 1.198 252 A HN 0.443 nan 8.150 nan 0.000 0.484 253 F N 1.097 121.069 119.950 0.038 0.000 2.458 253 F HA 0.513 5.038 4.527 -0.003 0.000 0.330 253 F C 0.237 176.085 175.800 0.081 0.000 1.082 253 F CA -0.614 57.424 58.000 0.063 0.000 0.995 253 F CB 1.321 40.344 39.000 0.038 0.000 1.170 253 F HN 0.646 nan 8.300 nan 0.000 0.478 254 F N 1.840 121.901 119.950 0.184 0.000 2.539 254 F HA 0.226 4.751 4.527 -0.003 0.000 0.340 254 F C 1.334 177.199 175.800 0.108 0.000 1.185 254 F CA 0.965 59.027 58.000 0.105 0.000 1.333 254 F CB 0.533 39.579 39.000 0.076 0.000 1.152 254 F HN 0.594 nan 8.300 nan 0.000 0.602 255 S N 1.580 116.548 115.700 -1.220 0.000 3.482 255 S HA -0.176 4.292 4.470 -0.003 0.000 0.294 255 S C -0.221 174.192 174.600 -0.312 0.000 1.244 255 S CA 0.986 58.711 58.200 -0.792 0.000 0.911 255 S CB -1.991 60.920 63.200 -0.481 0.000 1.070 255 S HN 1.121 nan 8.310 nan 0.000 0.614 256 T N 1.432 115.867 114.554 -0.198 0.000 2.901 256 T HA 0.794 5.143 4.350 -0.003 0.000 0.293 256 T C -0.825 173.843 174.700 -0.054 0.000 1.084 256 T CA -0.533 61.528 62.100 -0.066 0.000 1.008 256 T CB 1.441 70.332 68.868 0.038 0.000 1.170 256 T HN 0.215 nan 8.240 nan 0.000 0.509 257 M N 1.431 121.016 119.600 -0.025 0.000 2.327 257 M HA 0.400 4.878 4.480 -0.003 0.000 0.298 257 M C -0.388 175.912 176.300 0.001 0.000 1.065 257 M CA -0.478 54.812 55.300 -0.016 0.000 0.916 257 M CB 1.494 34.081 32.600 -0.021 0.000 1.630 257 M HN 0.721 nan 8.290 nan 0.000 0.442 258 C N 4.774 124.077 119.300 0.005 0.000 2.657 258 C HA 0.148 4.606 4.460 -0.003 0.000 0.404 258 C C 1.865 176.858 174.990 0.006 0.000 1.369 258 C CA -0.462 58.561 59.018 0.009 0.000 1.665 258 C CB -0.881 26.864 27.740 0.008 0.000 2.453 258 C HN 0.962 nan 8.230 nan 0.000 0.599 259 L N 4.961 126.189 121.223 0.008 0.000 2.072 259 L HA 0.172 4.510 4.340 -0.003 0.000 0.205 259 L C 1.038 177.911 176.870 0.006 0.000 1.079 259 L CA 2.036 56.880 54.840 0.007 0.000 0.752 259 L CB -0.594 41.471 42.059 0.009 0.000 0.906 259 L HN 0.964 nan 8.230 nan 0.000 0.436 260 E N -2.543 117.661 120.200 0.007 0.000 2.429 260 E HA 0.487 4.835 4.350 -0.003 0.000 0.280 260 E C -0.172 176.433 176.600 0.008 0.000 1.068 260 E CA -0.419 55.985 56.400 0.006 0.000 0.837 260 E CB 1.164 30.866 29.700 0.004 0.000 1.357 260 E HN 0.170 nan 8.360 nan 0.000 0.455 261 G N -0.250 108.555 108.800 0.008 0.000 2.698 261 G HA2 0.062 4.020 3.960 -0.003 0.000 0.225 261 G HA3 0.062 4.020 3.960 -0.003 0.000 0.225 261 G C -0.573 174.332 174.900 0.009 0.000 1.345 261 G CA -0.212 44.894 45.100 0.011 0.000 0.871 261 G HN 0.825 nan 8.290 nan 0.000 0.540 262 T N -0.974 113.586 114.554 0.009 0.000 2.903 262 T HA 0.946 5.294 4.350 -0.003 0.000 0.299 262 T C -0.181 174.523 174.700 0.007 0.000 1.093 262 T CA 0.937 63.041 62.100 0.007 0.000 1.002 262 T CB 1.308 70.181 68.868 0.007 0.000 1.127 262 T HN 2.467 nan 8.240 nan 0.000 0.488 263 A N 2.841 125.664 122.820 0.004 0.000 2.612 263 A HA 0.790 5.108 4.320 -0.003 0.000 0.293 263 A C -1.702 175.882 177.584 0.000 0.000 1.075 263 A CA -0.739 51.299 52.037 0.002 0.000 0.680 263 A CB 1.739 20.739 19.000 -0.000 0.000 1.279 263 A HN 0.711 nan 8.150 nan 0.000 0.411 264 Q N -0.347 119.452 119.800 -0.001 0.000 2.372 264 Q HA 0.645 4.983 4.340 -0.003 0.000 0.273 264 Q C -0.280 175.715 176.000 -0.009 0.000 1.078 264 Q CA -0.665 55.136 55.803 -0.003 0.000 0.806 264 Q CB 2.750 31.488 28.738 0.001 0.000 1.332 264 Q HN 1.240 nan 8.270 nan 0.000 0.435 265 G N 0.931 109.722 108.800 -0.016 0.000 2.684 265 G HA2 0.580 4.538 3.960 -0.003 0.000 0.290 265 G HA3 0.580 4.538 3.960 -0.003 0.000 0.290 265 G C -1.995 172.885 174.900 -0.033 0.000 1.425 265 G CA -0.663 44.421 45.100 -0.026 0.000 0.822 265 G HN 0.490 nan 8.290 nan 0.000 0.482 266 L N 1.057 122.254 121.223 -0.043 0.000 2.295 266 L HA 0.618 4.956 4.340 -0.003 0.000 0.285 266 L C -0.140 176.666 176.870 -0.108 0.000 1.035 266 L CA -0.952 53.848 54.840 -0.067 0.000 0.806 266 L CB 1.616 43.642 42.059 -0.054 0.000 1.214 266 L HN 0.268 nan 8.230 nan 0.000 0.426 267 V N 6.331 126.165 119.914 -0.133 0.000 2.421 267 V HA -0.030 4.088 4.120 -0.003 0.000 0.271 267 V C 1.211 177.159 176.094 -0.244 0.000 1.031 267 V CA 0.308 62.519 62.300 -0.148 0.000 1.032 267 V CB 0.876 32.621 31.823 -0.129 0.000 1.009 267 V HN 0.791 nan 8.190 nan 0.000 0.477 268 V N 2.259 122.063 119.914 -0.184 0.000 2.599 268 V HA 0.216 4.334 4.120 -0.003 0.000 0.245 268 V C 0.666 176.695 176.094 -0.109 0.000 1.046 268 V CA 0.812 63.006 62.300 -0.177 0.000 1.065 268 V CB -0.486 31.306 31.823 -0.051 0.000 0.703 268 V HN 0.822 nan 8.190 nan 0.000 0.464 269 N N -0.954 117.705 118.700 -0.068 0.000 2.277 269 N HA 0.675 5.413 4.740 -0.003 0.000 0.286 269 N C -1.173 174.303 175.510 -0.056 0.000 1.140 269 N CA -0.287 52.745 53.050 -0.030 0.000 0.799 269 N CB 2.542 41.047 38.487 0.029 0.000 1.596 269 N HN 0.212 nan 8.380 nan 0.000 0.473 270 T N -0.070 114.443 114.554 -0.067 0.000 2.906 270 T HA 0.720 5.068 4.350 -0.003 0.000 0.295 270 T C 0.802 175.427 174.700 -0.124 0.000 1.075 270 T CA 0.170 62.201 62.100 -0.114 0.000 1.005 270 T CB 1.588 70.397 68.868 -0.097 0.000 1.136 270 T HN 0.777 nan 8.240 nan 0.000 0.498 271 G N 2.190 110.867 108.800 -0.206 0.000 2.660 271 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.321 271 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.321 271 G C 0.646 175.474 174.900 -0.120 0.000 1.246 271 G CA 0.989 45.982 45.100 -0.179 0.000 1.000 271 G HN 0.719 nan 8.290 nan 0.000 0.550 272 D N 0.705 121.073 120.400 -0.053 0.000 2.219 272 D HA 0.009 4.647 4.640 -0.003 0.000 0.205 272 D C 2.647 178.951 176.300 0.007 0.000 0.970 272 D CA 1.012 55.005 54.000 -0.011 0.000 0.851 272 D CB -0.198 40.602 40.800 -0.001 0.000 0.943 272 D HN 0.520 nan 8.370 nan 0.000 0.488 273 R N 0.419 120.919 120.500 -0.000 0.000 2.189 273 R HA 0.003 4.341 4.340 -0.003 0.000 0.218 273 R C 1.099 177.428 176.300 0.048 0.000 1.074 273 R CA 0.629 56.742 56.100 0.022 0.000 0.991 273 R CB -0.356 29.953 30.300 0.015 0.000 0.883 273 R HN 0.248 nan 8.270 nan 0.000 0.457 274 T N -0.852 113.731 114.554 0.048 0.000 2.748 274 T HA 0.063 4.412 4.350 -0.003 0.000 0.304 274 T C 1.701 176.490 174.700 0.149 0.000 1.041 274 T CA -0.359 61.814 62.100 0.121 0.000 1.033 274 T CB 0.725 69.689 68.868 0.160 0.000 0.995 274 T HN 0.224 nan 8.240 nan 0.000 0.536 275 I N 0.079 120.770 120.570 0.203 0.000 2.179 275 I HA -0.066 4.102 4.170 -0.003 0.000 0.242 275 I C 2.151 178.311 176.117 0.071 0.000 1.088 275 I CA 1.543 62.908 61.300 0.110 0.000 1.357 275 I CB -0.804 37.207 38.000 0.018 0.000 1.051 275 I HN 0.711 nan 8.210 nan 0.000 0.409 276 I N 1.286 121.931 120.570 0.124 0.000 2.406 276 I HA 0.208 4.376 4.170 -0.003 0.000 0.249 276 I C 2.314 178.518 176.117 0.145 0.000 1.122 276 I CA 1.353 62.716 61.300 0.104 0.000 1.431 276 I CB -1.761 36.297 38.000 0.098 0.000 1.087 276 I HN 0.104 nan 8.210 nan 0.000 0.424 277 G N 0.553 109.478 108.800 0.209 0.000 2.615 277 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.213 277 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.213 277 G C 1.739 176.687 174.900 0.081 0.000 1.135 277 G CA 0.561 45.750 45.100 0.148 0.000 0.772 277 G HN 0.483 nan 8.290 nan 0.000 0.542 278 R N -1.145 119.397 120.500 0.070 0.000 2.342 278 R HA 0.303 4.641 4.340 -0.003 0.000 0.204 278 R C 2.256 178.575 176.300 0.032 0.000 0.882 278 R CA -0.270 55.856 56.100 0.044 0.000 1.041 278 R CB -0.021 30.303 30.300 0.040 0.000 1.188 278 R HN 0.314 nan 8.270 nan 0.000 0.598 279 I N 1.711 122.299 120.570 0.030 0.000 2.143 279 I HA -0.378 3.790 4.170 -0.003 0.000 0.245 279 I C 2.634 178.758 176.117 0.013 0.000 1.068 279 I CA 1.836 63.143 61.300 0.011 0.000 1.326 279 I CB -0.433 37.566 38.000 -0.000 0.000 1.028 279 I HN 0.178 nan 8.210 nan 0.000 0.412 280 A N 0.112 122.947 122.820 0.024 0.000 1.859 280 A HA -0.258 4.060 4.320 -0.003 0.000 0.217 280 A C 2.484 180.080 177.584 0.019 0.000 1.198 280 A CA 2.569 54.619 52.037 0.022 0.000 0.629 280 A CB -0.996 18.024 19.000 0.033 0.000 0.830 280 A HN 0.426 nan 8.150 nan 0.000 0.446 281 S N -0.716 114.998 115.700 0.022 0.000 2.370 281 S HA -0.146 4.322 4.470 -0.003 0.000 0.226 281 S C 1.887 176.495 174.600 0.014 0.000 1.033 281 S CA 1.548 59.759 58.200 0.018 0.000 1.011 281 S CB -0.423 62.790 63.200 0.020 0.000 0.852 281 S HN 0.518 nan 8.310 nan 0.000 0.457 282 L N 1.123 122.353 121.223 0.012 0.000 2.131 282 L HA 0.180 4.518 4.340 -0.003 0.000 0.206 282 L C 2.165 179.037 176.870 0.002 0.000 1.087 282 L CA 1.576 56.420 54.840 0.007 0.000 0.767 282 L CB -0.571 41.492 42.059 0.006 0.000 0.917 282 L HN 0.231 nan 8.230 nan 0.000 0.441 283 A N -2.035 120.785 122.820 0.001 0.000 2.030 283 A HA 0.024 4.342 4.320 -0.003 0.000 0.215 283 A C 2.330 179.915 177.584 0.001 0.000 1.164 283 A CA 1.163 53.199 52.037 -0.003 0.000 0.697 283 A CB -0.487 18.509 19.000 -0.007 0.000 0.827 283 A HN 0.431 nan 8.150 nan 0.000 0.457 284 S N -0.274 115.430 115.700 0.006 0.000 2.336 284 S HA 0.037 4.505 4.470 -0.003 0.000 0.216 284 S C 1.828 176.433 174.600 0.008 0.000 1.032 284 S CA 0.962 59.167 58.200 0.008 0.000 0.973 284 S CB -0.494 62.714 63.200 0.013 0.000 0.888 284 S HN 0.673 nan 8.310 nan 0.000 0.455 285 G N 1.923 110.729 108.800 0.010 0.000 3.229 285 G HA2 0.205 4.164 3.960 -0.003 0.000 0.214 285 G HA3 0.205 4.164 3.960 -0.003 0.000 0.214 285 G C 0.011 174.915 174.900 0.007 0.000 1.256 285 G CA 0.032 45.138 45.100 0.009 0.000 1.042 285 G HN 0.337 nan 8.290 nan 0.000 0.497 286 V N 0.641 120.558 119.914 0.005 0.000 2.472 286 V HA 0.276 4.394 4.120 -0.003 0.000 0.290 286 V C 0.109 176.205 176.094 0.003 0.000 1.037 286 V CA -1.564 60.738 62.300 0.002 0.000 0.908 286 V CB 1.820 33.641 31.823 -0.002 0.000 0.985 286 V HN 0.403 nan 8.190 nan 0.000 0.454 287 E N 2.836 123.037 120.200 0.003 0.000 2.026 287 E HA -0.150 4.198 4.350 -0.003 0.000 0.249 287 E C 0.461 177.062 176.600 0.002 0.000 1.273 287 E CA 0.170 56.572 56.400 0.004 0.000 0.991 287 E CB -0.941 28.761 29.700 0.004 0.000 1.076 287 E HN 0.764 nan 8.360 nan 0.000 0.438 288 N N 3.511 122.212 118.700 0.003 0.000 2.668 288 N HA -0.151 4.587 4.740 -0.003 0.000 0.201 288 N C -0.483 175.028 175.510 0.002 0.000 1.408 288 N CA 0.250 53.301 53.050 0.001 0.000 0.905 288 N CB 0.005 38.493 38.487 0.002 0.000 1.093 288 N HN 0.411 nan 8.380 nan 0.000 0.453 289 E N -1.132 119.070 120.200 0.003 0.000 8.287 289 E HA -0.321 4.027 4.350 -0.003 0.000 0.160 289 E C -0.273 176.332 176.600 0.008 0.000 1.466 289 E CA 1.218 57.621 56.400 0.005 0.000 2.559 289 E CB -0.526 29.175 29.700 0.002 0.000 1.453 289 E HN 0.609 nan 8.360 nan 0.000 0.419 290 K N -0.425 119.981 120.400 0.011 0.000 2.400 290 K HA 0.537 4.855 4.320 -0.003 0.000 0.249 290 K C -0.516 176.092 176.600 0.013 0.000 1.069 290 K CA -0.553 55.743 56.287 0.015 0.000 0.965 290 K CB 1.367 33.880 32.500 0.022 0.000 1.365 290 K HN 0.402 nan 8.250 nan 0.000 0.539 291 T N 2.130 116.695 114.554 0.019 0.000 2.829 291 T HA 0.228 4.576 4.350 -0.003 0.000 0.282 291 T C -2.189 172.525 174.700 0.023 0.000 0.990 291 T CA -1.710 60.400 62.100 0.017 0.000 1.028 291 T CB 1.586 70.466 68.868 0.021 0.000 0.951 291 T HN 0.391 nan 8.240 nan 0.000 0.460 292 P HA -0.116 nan 4.420 nan 0.000 0.217 292 P C 1.533 178.856 177.300 0.040 0.000 1.148 292 P CA 0.425 63.529 63.100 0.007 0.000 0.828 292 P CB 0.091 31.773 31.700 -0.029 0.000 0.783 293 I N -0.371 120.233 120.570 0.058 0.000 2.202 293 I HA -0.174 3.994 4.170 -0.003 0.000 0.242 293 I C 1.874 178.059 176.117 0.113 0.000 1.091 293 I CA 1.701 63.071 61.300 0.117 0.000 1.368 293 I CB -1.189 36.876 38.000 0.109 0.000 1.058 293 I HN -0.119 nan 8.210 nan 0.000 0.410 294 A N 1.327 124.193 122.820 0.077 0.000 1.908 294 A HA -0.205 4.113 4.320 -0.003 0.000 0.218 294 A C 2.281 179.916 177.584 0.085 0.000 1.181 294 A CA 1.851 53.931 52.037 0.072 0.000 0.627 294 A CB -0.869 18.163 19.000 0.052 0.000 0.818 294 A HN 0.516 nan 8.150 nan 0.000 0.445 295 I N -0.486 120.131 120.570 0.079 0.000 2.286 295 I HA -0.206 3.962 4.170 -0.003 0.000 0.248 295 I C 2.361 178.551 176.117 0.122 0.000 1.115 295 I CA 1.194 62.545 61.300 0.085 0.000 1.392 295 I CB -0.355 37.681 38.000 0.062 0.000 1.065 295 I HN 0.274 nan 8.210 nan 0.000 0.418 296 E N 1.106 121.393 120.200 0.145 0.000 2.107 296 E HA -0.114 4.234 4.350 -0.003 0.000 0.191 296 E C 1.783 178.517 176.600 0.224 0.000 0.982 296 E CA 0.954 57.480 56.400 0.209 0.000 0.809 296 E CB -0.266 29.622 29.700 0.315 0.000 0.756 296 E HN 0.653 nan 8.360 nan 0.000 0.459 297 I N -0.769 119.905 120.570 0.174 0.000 3.607 297 I HA 0.060 4.228 4.170 -0.003 0.000 0.303 297 I C 0.471 176.688 176.117 0.167 0.000 1.261 297 I CA 0.511 61.902 61.300 0.152 0.000 1.215 297 I CB -0.267 37.791 38.000 0.096 0.000 1.043 297 I HN -0.126 nan 8.210 nan 0.000 0.465 298 E N -1.066 119.248 120.200 0.190 0.000 2.576 298 E HA -0.008 4.340 4.350 -0.003 0.000 0.214 298 E C 1.625 178.319 176.600 0.157 0.000 0.859 298 E CA -0.159 56.331 56.400 0.151 0.000 1.399 298 E CB -0.257 29.512 29.700 0.114 0.000 1.374 298 E HN 0.512 nan 8.360 nan 0.000 0.718 299 H N 0.726 119.875 119.070 0.132 0.000 2.357 299 H HA -0.081 4.473 4.556 -0.003 0.000 0.301 299 H C 1.749 177.152 175.328 0.126 0.000 1.082 299 H CA 1.426 57.544 56.048 0.117 0.000 1.342 299 H CB 0.027 29.868 29.762 0.132 0.000 1.389 299 H HN 0.226 nan 8.280 nan 0.000 0.511 300 F N 2.025 122.048 119.950 0.121 0.000 2.134 300 F HA -0.178 4.347 4.527 -0.003 0.000 0.299 300 F C 2.467 178.259 175.800 -0.013 0.000 1.097 300 F CA 1.796 59.830 58.000 0.056 0.000 1.264 300 F CB -0.695 38.351 39.000 0.077 0.000 1.001 300 F HN 0.041 nan 8.300 nan 0.000 0.479 301 V N 0.015 119.894 119.914 -0.057 0.000 2.427 301 V HA -0.237 3.881 4.120 -0.003 0.000 0.248 301 V C 1.954 177.906 176.094 -0.237 0.000 1.051 301 V CA 2.092 64.281 62.300 -0.185 0.000 1.048 301 V CB -1.520 30.320 31.823 0.029 0.000 0.666 301 V HN 0.519 nan 8.190 nan 0.000 0.456 302 D N 0.755 121.040 120.400 -0.191 0.000 2.144 302 D HA -0.189 4.449 4.640 -0.003 0.000 0.200 302 D C 2.001 178.159 176.300 -0.236 0.000 0.978 302 D CA 1.652 55.544 54.000 -0.180 0.000 0.833 302 D CB -0.434 40.271 40.800 -0.158 0.000 0.961 302 D HN 0.379 nan 8.370 nan 0.000 0.470 303 I N 0.718 121.083 120.570 -0.342 0.000 2.226 303 I HA -0.177 3.991 4.170 -0.003 0.000 0.245 303 I C 2.318 178.269 176.117 -0.278 0.000 1.100 303 I CA 0.715 61.842 61.300 -0.288 0.000 1.374 303 I CB -0.768 37.065 38.000 -0.278 0.000 1.057 303 I HN 0.148 nan 8.210 nan 0.000 0.413 304 I N 1.267 121.570 120.570 -0.445 0.000 2.179 304 I HA -0.224 3.944 4.170 -0.003 0.000 0.242 304 I C 2.804 178.832 176.117 -0.148 0.000 1.088 304 I CA 1.562 62.642 61.300 -0.367 0.000 1.357 304 I CB -1.491 36.194 38.000 -0.525 0.000 1.051 304 I HN 0.116 nan 8.210 nan 0.000 0.409 305 A N 0.906 123.639 122.820 -0.146 0.000 1.933 305 A HA -0.096 4.222 4.320 -0.003 0.000 0.218 305 A C 2.507 180.052 177.584 -0.065 0.000 1.175 305 A CA 1.781 53.772 52.037 -0.078 0.000 0.628 305 A CB -1.306 17.654 19.000 -0.066 0.000 0.814 305 A HN 0.436 nan 8.150 nan 0.000 0.444 306 G N -0.204 108.552 108.800 -0.074 0.000 2.446 306 G HA2 -0.163 3.796 3.960 -0.003 0.000 0.217 306 G HA3 -0.163 3.796 3.960 -0.003 0.000 0.217 306 G C 1.377 176.278 174.900 0.000 0.000 1.168 306 G CA 1.110 46.183 45.100 -0.044 0.000 0.771 306 G HN 0.351 nan 8.290 nan 0.000 0.551 307 L N 0.845 122.102 121.223 0.056 0.000 2.109 307 L HA 0.088 4.426 4.340 -0.003 0.000 0.207 307 L C 3.312 180.259 176.870 0.129 0.000 1.086 307 L CA 1.583 56.583 54.840 0.265 0.000 0.760 307 L CB -1.460 40.748 42.059 0.248 0.000 0.910 307 L HN 0.342 nan 8.230 nan 0.000 0.437 308 A N 0.186 122.920 122.820 -0.144 0.000 1.902 308 A HA -0.228 4.090 4.320 -0.003 0.000 0.217 308 A C 2.341 179.445 177.584 -0.800 0.000 1.181 308 A CA 1.711 53.043 52.037 -1.174 0.000 0.623 308 A CB -0.596 18.242 19.000 -0.269 0.000 0.818 308 A HN 0.360 nan 8.150 nan 0.000 0.443 309 I N -0.867 119.527 120.570 -0.294 0.000 2.353 309 I HA -0.137 4.031 4.170 -0.003 0.000 0.248 309 I C 2.232 178.339 176.117 -0.017 0.000 1.119 309 I CA 0.818 62.064 61.300 -0.091 0.000 1.417 309 I CB -0.012 37.995 38.000 0.012 0.000 1.078 309 I HN 0.340 nan 8.210 nan 0.000 0.421 310 L N 0.506 121.696 121.223 -0.055 0.000 1.994 310 L HA -0.223 4.115 4.340 -0.003 0.000 0.208 310 L C 2.330 179.110 176.870 -0.149 0.000 1.071 310 L CA 2.253 57.027 54.840 -0.110 0.000 0.745 310 L CB -1.161 40.780 42.059 -0.196 0.000 0.892 310 L HN 0.199 nan 8.230 nan 0.000 0.431 311 F N 0.191 120.144 119.950 0.004 0.000 2.206 311 F HA 0.003 4.528 4.527 -0.003 0.000 0.298 311 F C 2.581 178.525 175.800 0.240 0.000 1.090 311 F CA 1.059 59.187 58.000 0.213 0.000 1.323 311 F CB -1.159 38.031 39.000 0.317 0.000 1.028 311 F HN 0.156 nan 8.300 nan 0.000 0.492 312 G N -0.143 108.687 108.800 0.050 0.000 2.446 312 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.217 312 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.217 312 G C 1.888 177.097 174.900 0.514 0.000 1.168 312 G CA 0.958 46.025 45.100 -0.055 0.000 0.771 312 G HN 0.440 nan 8.290 nan 0.000 0.551 313 A N -0.385 122.813 122.820 0.631 0.000 1.929 313 A HA 0.023 4.341 4.320 -0.003 0.000 0.216 313 A C 2.459 180.254 177.584 0.352 0.000 1.176 313 A CA 2.331 54.681 52.037 0.522 0.000 0.628 313 A CB -0.981 18.154 19.000 0.224 0.000 0.816 313 A HN 0.356 nan 8.150 nan 0.000 0.444 314 T N -1.499 113.186 114.554 0.218 0.000 2.833 314 T HA -0.109 4.239 4.350 -0.003 0.000 0.269 314 T C 1.218 175.855 174.700 -0.105 0.000 1.054 314 T CA 1.462 63.569 62.100 0.012 0.000 1.135 314 T CB -0.478 68.306 68.868 -0.139 0.000 0.869 314 T HN 0.380 nan 8.240 nan 0.000 0.466 315 F N -0.043 120.018 119.950 0.186 0.000 2.748 315 F HA 0.243 4.768 4.527 -0.003 0.000 0.299 315 F C 1.495 177.417 175.800 0.204 0.000 1.154 315 F CA -0.129 57.962 58.000 0.152 0.000 1.446 315 F CB -0.347 38.739 39.000 0.143 0.000 1.112 315 F HN 0.242 nan 8.300 nan 0.000 0.584 316 F N 0.521 120.626 119.950 0.259 0.000 2.149 316 F HA -0.053 4.472 4.527 -0.003 0.000 0.294 316 F C 2.028 177.894 175.800 0.111 0.000 1.095 316 F CA 1.496 59.618 58.000 0.203 0.000 1.276 316 F CB -0.358 38.719 39.000 0.129 0.000 1.023 316 F HN -0.143 nan 8.300 nan 0.000 0.480 317 I N 0.428 121.096 120.570 0.162 0.000 2.252 317 I HA -0.232 3.936 4.170 -0.003 0.000 0.245 317 I C 2.477 178.543 176.117 -0.085 0.000 1.102 317 I CA 1.415 62.743 61.300 0.047 0.000 1.385 317 I CB -0.703 37.354 38.000 0.095 0.000 1.064 317 I HN 0.213 nan 8.210 nan 0.000 0.414 318 V N -0.373 119.464 119.914 -0.129 0.000 2.343 318 V HA -0.172 3.947 4.120 -0.003 0.000 0.247 318 V C 2.618 178.652 176.094 -0.100 0.000 1.051 318 V CA 1.630 63.833 62.300 -0.163 0.000 1.036 318 V CB -1.458 30.168 31.823 -0.327 0.000 0.654 318 V HN 0.325 nan 8.190 nan 0.000 0.451 319 A N 0.235 122.995 122.820 -0.099 0.000 1.933 319 A HA -0.142 4.177 4.320 -0.003 0.000 0.218 319 A C 2.360 180.007 177.584 0.105 0.000 1.175 319 A CA 2.332 54.356 52.037 -0.021 0.000 0.628 319 A CB -0.554 18.404 19.000 -0.070 0.000 0.814 319 A HN 0.632 nan 8.150 nan 0.000 0.444 320 M N 0.293 119.823 119.600 -0.117 0.000 2.132 320 M HA -0.194 4.284 4.480 -0.003 0.000 0.263 320 M C 2.395 178.679 176.300 -0.026 0.000 1.065 320 M CA 2.310 57.539 55.300 -0.117 0.000 1.122 320 M CB -0.494 31.962 32.600 -0.239 0.000 1.365 320 M HN 0.719 nan 8.290 nan 0.000 0.411 321 C N -0.365 118.918 119.300 -0.028 0.000 2.422 321 C HA -0.071 4.387 4.460 -0.003 0.000 0.279 321 C C 2.335 177.318 174.990 -0.012 0.000 1.305 321 C CA 0.221 59.227 59.018 -0.019 0.000 1.757 321 C CB -1.633 26.091 27.740 -0.026 0.000 1.962 321 C HN 0.682 nan 8.230 nan 0.000 0.499 322 I N 1.867 122.450 120.570 0.022 0.000 2.614 322 I HA 0.226 4.394 4.170 -0.003 0.000 0.258 322 I C 1.679 177.748 176.117 -0.079 0.000 1.189 322 I CA 1.615 62.928 61.300 0.022 0.000 1.462 322 I CB -0.546 37.522 38.000 0.113 0.000 1.092 322 I HN 0.706 nan 8.210 nan 0.000 0.442 323 G N -0.834 107.910 108.800 -0.093 0.000 2.338 323 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.115 323 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.115 323 G C -0.510 174.132 174.900 -0.431 0.000 1.053 323 G CA -0.465 44.497 45.100 -0.229 0.000 0.733 323 G HN 0.220 nan 8.290 nan 0.000 0.482 324 Y N 0.737 121.034 120.300 -0.005 0.000 2.446 324 Y HA 0.684 5.233 4.550 -0.003 0.000 0.345 324 Y C 1.198 177.095 175.900 -0.005 0.000 0.984 324 Y CA -0.034 58.084 58.100 0.030 0.000 1.058 324 Y CB 1.887 40.422 38.460 0.125 0.000 1.220 324 Y HN 0.341 nan 8.280 nan 0.000 0.455 325 T N -1.737 112.916 114.554 0.166 0.000 2.793 325 T HA 0.094 4.443 4.350 -0.003 0.000 0.299 325 T C 0.778 175.573 174.700 0.159 0.000 1.038 325 T CA -0.249 61.936 62.100 0.141 0.000 0.948 325 T CB 0.325 69.275 68.868 0.136 0.000 1.231 325 T HN 0.583 nan 8.240 nan 0.000 0.538 326 F N 0.186 120.198 119.950 0.104 0.000 2.365 326 F HA 0.140 4.665 4.527 -0.003 0.000 0.300 326 F C 1.852 177.727 175.800 0.126 0.000 1.090 326 F CA 0.953 59.052 58.000 0.164 0.000 1.408 326 F CB -0.521 38.556 39.000 0.128 0.000 1.060 326 F HN 0.389 nan 8.300 nan 0.000 0.534 327 L N -0.487 120.822 121.223 0.142 0.000 2.023 327 L HA -0.139 4.199 4.340 -0.003 0.000 0.205 327 L C 2.580 179.388 176.870 -0.104 0.000 1.073 327 L CA 1.329 56.188 54.840 0.030 0.000 0.745 327 L CB -0.638 41.463 42.059 0.070 0.000 0.900 327 L HN 0.001 nan 8.230 nan 0.000 0.435 328 R N 0.484 120.943 120.500 -0.069 0.000 2.075 328 R HA 0.024 4.362 4.340 -0.003 0.000 0.226 328 R C 2.222 178.273 176.300 -0.416 0.000 1.114 328 R CA 1.411 57.370 56.100 -0.235 0.000 0.972 328 R CB -0.593 29.785 30.300 0.130 0.000 0.869 328 R HN 0.272 nan 8.270 nan 0.000 0.437 329 A N 0.177 122.947 122.820 -0.083 0.000 1.933 329 A HA -0.161 4.157 4.320 -0.003 0.000 0.218 329 A C 2.105 179.822 177.584 0.221 0.000 1.175 329 A CA 1.751 53.784 52.037 -0.006 0.000 0.628 329 A CB -0.522 18.066 19.000 -0.688 0.000 0.814 329 A HN 0.423 nan 8.150 nan 0.000 0.444 330 M N 0.570 120.198 119.600 0.046 0.000 2.132 330 M HA -0.108 4.370 4.480 -0.003 0.000 0.263 330 M C 2.023 178.329 176.300 0.011 0.000 1.065 330 M CA 2.226 57.508 55.300 -0.030 0.000 1.122 330 M CB -0.562 31.763 32.600 -0.457 0.000 1.365 330 M HN 0.418 nan 8.290 nan 0.000 0.411 331 V N -1.542 118.269 119.914 -0.172 0.000 2.490 331 V HA -0.190 3.928 4.120 -0.003 0.000 0.250 331 V C 2.030 178.088 176.094 -0.060 0.000 1.061 331 V CA 1.623 63.820 62.300 -0.170 0.000 1.064 331 V CB -1.640 30.000 31.823 -0.305 0.000 0.670 331 V HN 0.379 nan 8.190 nan 0.000 0.461 332 F N 0.536 120.591 119.950 0.175 0.000 2.146 332 F HA 0.072 4.597 4.527 -0.003 0.000 0.298 332 F C 2.194 178.118 175.800 0.207 0.000 1.096 332 F CA 1.338 59.471 58.000 0.221 0.000 1.275 332 F CB -1.245 37.876 39.000 0.201 0.000 1.008 332 F HN 0.241 nan 8.300 nan 0.000 0.480 333 F N 1.306 121.441 119.950 0.307 0.000 2.069 333 F HA -0.279 4.246 4.527 -0.003 0.000 0.298 333 F C 2.335 178.203 175.800 0.114 0.000 1.113 333 F CA 1.930 60.060 58.000 0.215 0.000 1.214 333 F CB -0.447 38.650 39.000 0.162 0.000 0.978 333 F HN -0.127 nan 8.300 nan 0.000 0.474 334 M N 0.199 119.892 119.600 0.156 0.000 2.296 334 M HA -0.045 4.434 4.480 -0.003 0.000 0.265 334 M C 2.407 178.672 176.300 -0.057 0.000 1.064 334 M CA 1.368 56.675 55.300 0.011 0.000 1.109 334 M CB -1.369 31.305 32.600 0.122 0.000 1.396 334 M HN 0.308 nan 8.290 nan 0.000 0.430 335 A N 1.778 124.601 122.820 0.005 0.000 1.908 335 A HA -0.091 4.227 4.320 -0.003 0.000 0.218 335 A C 1.983 179.521 177.584 -0.076 0.000 1.181 335 A CA 1.292 53.296 52.037 -0.056 0.000 0.627 335 A CB -1.018 17.987 19.000 0.009 0.000 0.818 335 A HN 0.517 nan 8.150 nan 0.000 0.445 336 I N 0.309 120.852 120.570 -0.045 0.000 3.434 336 I HA -0.135 4.033 4.170 -0.003 0.000 0.308 336 I C 1.416 177.518 176.117 -0.024 0.000 1.269 336 I CA -0.014 61.266 61.300 -0.034 0.000 1.265 336 I CB -0.412 37.550 38.000 -0.063 0.000 1.005 336 I HN 0.136 nan 8.210 nan 0.000 0.554 337 V N -0.272 119.605 119.914 -0.062 0.000 2.423 337 V HA -0.132 3.986 4.120 -0.003 0.000 0.233 337 V C 2.131 178.253 176.094 0.047 0.000 1.067 337 V CA 1.035 63.318 62.300 -0.029 0.000 1.073 337 V CB -0.241 31.539 31.823 -0.071 0.000 0.715 337 V HN 0.262 nan 8.190 nan 0.000 0.485 338 V N 0.697 120.608 119.914 -0.005 0.000 2.680 338 V HA -0.379 3.739 4.120 -0.003 0.000 0.267 338 V C 2.269 178.370 176.094 0.012 0.000 1.137 338 V CA 2.482 64.777 62.300 -0.008 0.000 1.143 338 V CB -0.656 31.146 31.823 -0.036 0.000 0.711 338 V HN 0.560 nan 8.190 nan 0.000 0.490 339 A N -2.014 120.837 122.820 0.052 0.000 1.911 339 A HA -0.002 4.316 4.320 -0.003 0.000 0.212 339 A C 1.855 179.437 177.584 -0.003 0.000 1.189 339 A CA 1.329 53.370 52.037 0.007 0.000 0.639 339 A CB -0.525 18.471 19.000 -0.006 0.000 0.839 339 A HN 0.610 nan 8.150 nan 0.000 0.449 340 Y N 0.165 120.479 120.300 0.024 0.000 2.365 340 Y HA 0.083 4.631 4.550 -0.003 0.000 0.293 340 Y C 1.175 177.094 175.900 0.031 0.000 1.119 340 Y CA 0.666 58.786 58.100 0.035 0.000 1.203 340 Y CB -0.124 38.300 38.460 -0.060 0.000 1.026 340 Y HN 0.129 nan 8.280 nan 0.000 0.549 341 V N 0.485 120.489 119.914 0.151 0.000 2.406 341 V HA 0.367 4.485 4.120 -0.003 0.000 0.272 341 V C -2.673 173.467 176.094 0.077 0.000 1.043 341 V CA -2.649 59.704 62.300 0.089 0.000 0.915 341 V CB 0.845 32.695 31.823 0.044 0.000 0.988 341 V HN -0.078 nan 8.190 nan 0.000 0.466 342 P HA 0.318 nan 4.420 nan 0.000 0.279 342 P C 0.029 177.354 177.300 0.042 0.000 1.318 342 P CA -0.038 63.116 63.100 0.091 0.000 0.819 342 P CB 1.497 33.295 31.700 0.164 0.000 0.927 343 E N 2.644 122.844 120.200 -0.000 0.000 2.152 343 E HA -0.067 4.281 4.350 -0.003 0.000 0.192 343 E C 2.262 178.828 176.600 -0.056 0.000 0.983 343 E CA 1.527 57.905 56.400 -0.036 0.000 0.818 343 E CB -0.670 28.999 29.700 -0.051 0.000 0.758 343 E HN 0.578 nan 8.360 nan 0.000 0.467 344 G N 0.290 109.063 108.800 -0.045 0.000 2.484 344 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.218 344 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.218 344 G C 1.434 176.293 174.900 -0.068 0.000 1.130 344 G CA 0.203 45.265 45.100 -0.062 0.000 0.784 344 G HN 0.177 nan 8.290 nan 0.000 0.543 345 L N 0.519 121.719 121.223 -0.038 0.000 2.046 345 L HA 0.097 4.435 4.340 -0.003 0.000 0.208 345 L C 2.682 179.503 176.870 -0.082 0.000 1.077 345 L CA 1.320 56.129 54.840 -0.052 0.000 0.747 345 L CB -0.347 41.705 42.059 -0.012 0.000 0.896 345 L HN 0.184 nan 8.230 nan 0.000 0.432 346 L N -0.912 120.263 121.223 -0.081 0.000 2.017 346 L HA -0.200 4.138 4.340 -0.003 0.000 0.208 346 L C 2.666 179.439 176.870 -0.162 0.000 1.073 346 L CA 1.269 56.048 54.840 -0.101 0.000 0.745 346 L CB -1.016 40.980 42.059 -0.106 0.000 0.894 346 L HN 0.360 nan 8.230 nan 0.000 0.432 347 A N -0.866 121.816 122.820 -0.231 0.000 1.933 347 A HA -0.246 4.072 4.320 -0.003 0.000 0.218 347 A C 2.426 179.883 177.584 -0.212 0.000 1.175 347 A CA 2.429 54.244 52.037 -0.369 0.000 0.628 347 A CB -0.892 17.863 19.000 -0.409 0.000 0.814 347 A HN 0.394 nan 8.150 nan 0.000 0.444 348 T N -0.945 113.529 114.554 -0.132 0.000 2.737 348 T HA -0.106 4.242 4.350 -0.003 0.000 0.265 348 T C 1.797 176.459 174.700 -0.064 0.000 1.038 348 T CA 1.765 63.817 62.100 -0.080 0.000 1.144 348 T CB -0.415 68.413 68.868 -0.068 0.000 0.866 348 T HN 0.117 nan 8.240 nan 0.000 0.434 349 V N 1.016 120.881 119.914 -0.082 0.000 2.332 349 V HA -0.147 3.971 4.120 -0.003 0.000 0.248 349 V C 2.805 178.884 176.094 -0.024 0.000 1.055 349 V CA 2.382 64.641 62.300 -0.068 0.000 1.038 349 V CB -1.136 30.641 31.823 -0.077 0.000 0.651 349 V HN 0.568 nan 8.190 nan 0.000 0.450 350 T N -1.043 113.502 114.554 -0.015 0.000 2.737 350 T HA -0.159 4.189 4.350 -0.003 0.000 0.265 350 T C 1.923 176.704 174.700 0.135 0.000 1.038 350 T CA 1.751 63.889 62.100 0.063 0.000 1.144 350 T CB -0.088 68.828 68.868 0.080 0.000 0.866 350 T HN 0.224 nan 8.240 nan 0.000 0.434 351 V N 0.678 120.683 119.914 0.153 0.000 2.407 351 V HA -0.142 3.976 4.120 -0.003 0.000 0.248 351 V C 2.687 178.820 176.094 0.065 0.000 1.055 351 V CA 2.085 64.491 62.300 0.176 0.000 1.049 351 V CB -0.776 31.152 31.823 0.176 0.000 0.662 351 V HN 0.762 nan 8.190 nan 0.000 0.455 352 C N -0.359 118.953 119.300 0.020 0.000 2.432 352 C HA -0.111 4.347 4.460 -0.003 0.000 0.277 352 C C 2.430 177.410 174.990 -0.017 0.000 1.249 352 C CA 0.957 59.963 59.018 -0.021 0.000 1.725 352 C CB -1.255 26.458 27.740 -0.044 0.000 2.028 352 C HN 0.539 nan 8.230 nan 0.000 0.477 353 L N 1.235 122.462 121.223 0.007 0.000 2.046 353 L HA -0.117 4.221 4.340 -0.003 0.000 0.208 353 L C 2.660 179.540 176.870 0.016 0.000 1.077 353 L CA 1.866 56.714 54.840 0.013 0.000 0.747 353 L CB -1.056 41.020 42.059 0.029 0.000 0.896 353 L HN 0.259 nan 8.230 nan 0.000 0.432 354 S N -0.625 115.098 115.700 0.039 0.000 2.368 354 S HA -0.115 4.353 4.470 -0.003 0.000 0.225 354 S C 1.993 176.597 174.600 0.005 0.000 1.030 354 S CA 1.101 59.322 58.200 0.035 0.000 0.999 354 S CB -0.369 62.867 63.200 0.060 0.000 0.844 354 S HN 0.320 nan 8.310 nan 0.000 0.459 355 L N 1.406 122.624 121.223 -0.008 0.000 2.046 355 L HA -0.126 4.212 4.340 -0.003 0.000 0.208 355 L C 2.980 179.813 176.870 -0.062 0.000 1.077 355 L CA 1.616 56.433 54.840 -0.039 0.000 0.747 355 L CB -1.407 40.607 42.059 -0.076 0.000 0.896 355 L HN 0.493 nan 8.230 nan 0.000 0.432 356 T N -2.460 112.057 114.554 -0.062 0.000 2.777 356 T HA -0.110 4.238 4.350 -0.003 0.000 0.266 356 T C 1.988 176.664 174.700 -0.040 0.000 1.040 356 T CA 0.896 62.959 62.100 -0.062 0.000 1.141 356 T CB -0.407 68.431 68.868 -0.051 0.000 0.868 356 T HN 0.296 nan 8.240 nan 0.000 0.444 357 A N 2.220 125.024 122.820 -0.026 0.000 1.940 357 A HA -0.076 4.242 4.320 -0.003 0.000 0.219 357 A C 2.327 179.897 177.584 -0.023 0.000 1.176 357 A CA 2.182 54.206 52.037 -0.020 0.000 0.631 357 A CB -0.758 18.235 19.000 -0.011 0.000 0.814 357 A HN 0.520 nan 8.150 nan 0.000 0.446 358 K N 0.200 120.586 120.400 -0.023 0.000 2.097 358 K HA -0.092 4.227 4.320 -0.003 0.000 0.206 358 K C 2.060 178.647 176.600 -0.022 0.000 1.049 358 K CA 1.693 57.968 56.287 -0.020 0.000 0.933 358 K CB -0.348 32.144 32.500 -0.014 0.000 0.717 358 K HN 0.474 nan 8.250 nan 0.000 0.442 359 R N -0.247 120.235 120.500 -0.030 0.000 2.081 359 R HA -0.032 4.306 4.340 -0.003 0.000 0.235 359 R C 2.046 178.331 176.300 -0.024 0.000 1.131 359 R CA 1.250 57.334 56.100 -0.028 0.000 0.960 359 R CB -0.328 29.948 30.300 -0.040 0.000 0.856 359 R HN 0.170 nan 8.270 nan 0.000 0.436 360 L N 0.146 121.353 121.223 -0.027 0.000 2.131 360 L HA -0.103 4.235 4.340 -0.003 0.000 0.210 360 L C 2.492 179.348 176.870 -0.023 0.000 1.092 360 L CA 1.620 56.445 54.840 -0.026 0.000 0.759 360 L CB -1.354 40.688 42.059 -0.028 0.000 0.903 360 L HN 0.217 nan 8.230 nan 0.000 0.435 361 A N -0.544 122.262 122.820 -0.022 0.000 1.933 361 A HA -0.169 4.149 4.320 -0.003 0.000 0.218 361 A C 2.532 180.105 177.584 -0.017 0.000 1.175 361 A CA 1.848 53.872 52.037 -0.021 0.000 0.628 361 A CB -0.503 18.484 19.000 -0.022 0.000 0.814 361 A HN 0.424 nan 8.150 nan 0.000 0.444 362 S N -0.186 115.506 115.700 -0.015 0.000 2.419 362 S HA -0.115 4.353 4.470 -0.003 0.000 0.233 362 S C 1.654 176.248 174.600 -0.010 0.000 1.016 362 S CA 1.482 59.676 58.200 -0.011 0.000 0.974 362 S CB -0.184 63.011 63.200 -0.007 0.000 0.786 362 S HN 0.656 nan 8.310 nan 0.000 0.492 363 K N 1.218 121.610 120.400 -0.013 0.000 2.486 363 K HA 0.133 4.451 4.320 -0.003 0.000 0.194 363 K C -0.093 176.500 176.600 -0.012 0.000 1.033 363 K CA 0.103 56.383 56.287 -0.012 0.000 1.004 363 K CB -0.000 32.490 32.500 -0.016 0.000 0.798 363 K HN 0.123 nan 8.250 nan 0.000 0.495 364 N N -0.011 118.681 118.700 -0.013 0.000 2.816 364 N HA -0.164 4.574 4.740 -0.003 0.000 0.247 364 N C -1.392 174.108 175.510 -0.016 0.000 1.100 364 N CA 0.728 53.771 53.050 -0.013 0.000 0.687 364 N CB -1.876 36.607 38.487 -0.008 0.000 1.003 364 N HN 0.268 nan 8.380 nan 0.000 0.554 365 C N 0.649 119.936 119.300 -0.021 0.000 2.547 365 C HA 0.582 5.041 4.460 -0.003 0.000 0.327 365 C C 0.215 175.189 174.990 -0.028 0.000 1.076 365 C CA -0.656 58.346 59.018 -0.027 0.000 1.390 365 C CB 0.594 28.314 27.740 -0.034 0.000 1.918 365 C HN 0.216 nan 8.230 nan 0.000 0.438 366 V N 7.255 127.153 119.914 -0.027 0.000 2.509 366 V HA 0.691 4.809 4.120 -0.003 0.000 0.284 366 V C -0.321 175.757 176.094 -0.028 0.000 1.047 366 V CA 0.152 62.436 62.300 -0.027 0.000 0.952 366 V CB 1.828 33.635 31.823 -0.026 0.000 0.988 366 V HN 0.701 nan 8.190 nan 0.000 0.469 367 V N 7.338 127.236 119.914 -0.026 0.000 2.444 367 V HA 0.414 4.532 4.120 -0.003 0.000 0.294 367 V C 0.493 176.574 176.094 -0.021 0.000 1.022 367 V CA -0.691 61.595 62.300 -0.023 0.000 0.850 367 V CB 1.365 33.175 31.823 -0.021 0.000 0.992 367 V HN 0.913 nan 8.190 nan 0.000 0.426 368 K N 2.465 122.854 120.400 -0.019 0.000 2.155 368 K HA 0.084 4.402 4.320 -0.003 0.000 0.203 368 K C 0.345 176.939 176.600 -0.009 0.000 1.052 368 K CA 0.992 57.269 56.287 -0.017 0.000 0.948 368 K CB -0.050 32.441 32.500 -0.014 0.000 0.728 368 K HN 0.675 nan 8.250 nan 0.000 0.448 369 N N -0.768 117.930 118.700 -0.004 0.000 2.272 369 N HA 0.163 4.901 4.740 -0.003 0.000 0.305 369 N C -0.108 175.408 175.510 0.010 0.000 1.103 369 N CA -0.518 52.536 53.050 0.006 0.000 0.791 369 N CB 1.594 40.085 38.487 0.008 0.000 1.356 369 N HN -0.209 nan 8.380 nan 0.000 0.486 370 L N 1.452 122.688 121.223 0.022 0.000 2.093 370 L HA 0.034 4.372 4.340 -0.003 0.000 0.208 370 L C 1.442 178.327 176.870 0.025 0.000 1.085 370 L CA 1.911 56.767 54.840 0.028 0.000 0.755 370 L CB -0.336 41.751 42.059 0.046 0.000 0.904 370 L HN 0.653 nan 8.230 nan 0.000 0.435 371 E N -0.628 119.588 120.200 0.026 0.000 2.204 371 E HA -0.177 4.172 4.350 -0.003 0.000 0.195 371 E C 2.119 178.730 176.600 0.019 0.000 0.990 371 E CA 0.887 57.303 56.400 0.028 0.000 0.821 371 E CB -0.263 29.454 29.700 0.028 0.000 0.750 371 E HN 0.616 nan 8.360 nan 0.000 0.477 372 A N 0.859 123.684 122.820 0.009 0.000 2.070 372 A HA -0.123 4.195 4.320 -0.003 0.000 0.220 372 A C 2.375 179.954 177.584 -0.007 0.000 1.159 372 A CA 0.807 52.842 52.037 -0.003 0.000 0.656 372 A CB -0.397 18.598 19.000 -0.009 0.000 0.800 372 A HN 0.113 nan 8.150 nan 0.000 0.453 373 V N -0.086 119.828 119.914 0.001 0.000 2.407 373 V HA -0.204 3.914 4.120 -0.003 0.000 0.248 373 V C 2.621 178.715 176.094 -0.000 0.000 1.055 373 V CA 2.211 64.509 62.300 -0.003 0.000 1.049 373 V CB -0.459 31.366 31.823 0.004 0.000 0.662 373 V HN 0.672 nan 8.190 nan 0.000 0.455 374 E N 0.317 120.525 120.200 0.013 0.000 2.075 374 E HA -0.107 4.241 4.350 -0.003 0.000 0.190 374 E C 1.714 178.304 176.600 -0.016 0.000 0.969 374 E CA 0.916 57.325 56.400 0.015 0.000 0.815 374 E CB -0.249 29.487 29.700 0.059 0.000 0.776 374 E HN 0.515 nan 8.360 nan 0.000 0.457 375 T N 2.277 116.822 114.554 -0.016 0.000 3.663 375 T HA -0.129 4.219 4.350 -0.003 0.000 0.274 375 T C 0.336 175.010 174.700 -0.042 0.000 1.222 375 T CA 0.391 62.473 62.100 -0.029 0.000 1.567 375 T CB -0.417 68.438 68.868 -0.023 0.000 0.871 375 T HN 0.033 nan 8.240 nan 0.000 0.589 376 L N 0.382 121.576 121.223 -0.049 0.000 3.059 376 L HA 0.435 4.773 4.340 -0.003 0.000 0.298 376 L C 1.199 178.032 176.870 -0.061 0.000 1.304 376 L CA 0.268 55.076 54.840 -0.053 0.000 0.855 376 L CB 0.420 42.448 42.059 -0.051 0.000 1.266 376 L HN 0.379 nan 8.230 nan 0.000 0.572 377 G N -1.452 107.303 108.800 -0.074 0.000 3.293 377 G HA2 -0.075 3.883 3.960 -0.003 0.000 0.157 377 G HA3 -0.075 3.883 3.960 -0.003 0.000 0.157 377 G C 0.695 175.538 174.900 -0.096 0.000 1.298 377 G CA 0.235 45.283 45.100 -0.087 0.000 0.831 377 G HN 0.163 nan 8.290 nan 0.000 0.902 378 S N 1.371 117.014 115.700 -0.095 0.000 2.573 378 S HA 0.415 4.884 4.470 -0.003 0.000 0.244 378 S C 0.226 174.792 174.600 -0.057 0.000 0.984 378 S CA -0.061 58.085 58.200 -0.091 0.000 1.001 378 S CB -0.085 63.051 63.200 -0.106 0.000 0.788 378 S HN 0.207 nan 8.310 nan 0.000 0.456 379 T N 0.660 115.187 114.554 -0.046 0.000 2.859 379 T HA 0.332 4.680 4.350 -0.003 0.000 0.281 379 T C 0.923 175.609 174.700 -0.023 0.000 1.005 379 T CA -0.487 61.595 62.100 -0.029 0.000 1.025 379 T CB 1.834 70.687 68.868 -0.025 0.000 0.977 379 T HN 0.109 nan 8.240 nan 0.000 0.458 380 S N 1.250 116.942 115.700 -0.014 0.000 2.412 380 S HA 0.186 4.654 4.470 -0.003 0.000 0.223 380 S C 0.554 175.156 174.600 0.002 0.000 1.048 380 S CA -0.037 58.158 58.200 -0.008 0.000 0.954 380 S CB 0.324 63.522 63.200 -0.004 0.000 0.840 380 S HN 0.519 nan 8.310 nan 0.000 0.503 381 V N 1.616 121.534 119.914 0.007 0.000 2.789 381 V HA 0.576 4.694 4.120 -0.003 0.000 0.311 381 V C -1.889 174.215 176.094 0.016 0.000 1.073 381 V CA -0.991 61.320 62.300 0.018 0.000 0.921 381 V CB 1.846 33.687 31.823 0.029 0.000 1.009 381 V HN 0.281 nan 8.190 nan 0.000 0.426 382 I N 5.427 126.014 120.570 0.028 0.000 2.406 382 I HA 0.432 4.600 4.170 -0.003 0.000 0.290 382 I C -0.691 175.448 176.117 0.037 0.000 0.999 382 I CA -0.362 60.955 61.300 0.029 0.000 1.124 382 I CB 1.630 39.656 38.000 0.042 0.000 1.289 382 I HN 0.497 nan 8.210 nan 0.000 0.441 383 C N 4.522 123.834 119.300 0.019 0.000 2.223 383 C HA 0.456 4.914 4.460 -0.003 0.000 0.324 383 C C 0.651 175.653 174.990 0.020 0.000 1.196 383 C CA -0.409 58.615 59.018 0.011 0.000 1.628 383 C CB 0.022 27.735 27.740 -0.044 0.000 2.229 383 C HN 0.759 nan 8.230 nan 0.000 0.486 384 S N 1.856 117.582 115.700 0.044 0.000 2.475 384 S HA 0.378 4.846 4.470 -0.003 0.000 0.298 384 S C -0.591 174.029 174.600 0.034 0.000 1.119 384 S CA -0.398 57.836 58.200 0.056 0.000 1.085 384 S CB 0.748 64.006 63.200 0.097 0.000 1.028 384 S HN 0.818 nan 8.310 nan 0.000 0.489 385 D N 2.673 123.089 120.400 0.027 0.000 2.372 385 D HA 0.182 4.820 4.640 -0.003 0.000 0.243 385 D C 0.953 177.257 176.300 0.007 0.000 1.121 385 D CA 0.142 54.147 54.000 0.009 0.000 0.898 385 D CB 1.002 41.805 40.800 0.005 0.000 1.202 385 D HN 0.598 nan 8.370 nan 0.000 0.428 386 K N 1.256 121.650 120.400 -0.009 0.000 1.995 386 K HA 0.009 4.327 4.320 -0.003 0.000 0.207 386 K C 0.138 176.721 176.600 -0.028 0.000 1.041 386 K CA 0.600 56.871 56.287 -0.027 0.000 0.942 386 K CB -0.054 32.429 32.500 -0.028 0.000 0.731 386 K HN 0.441 nan 8.250 nan 0.000 0.439 387 T N 0.491 115.033 114.554 -0.021 0.000 2.737 387 T HA 0.308 4.656 4.350 -0.003 0.000 0.296 387 T C 0.508 175.204 174.700 -0.006 0.000 0.922 387 T CA 0.347 62.437 62.100 -0.018 0.000 1.079 387 T CB 1.062 69.918 68.868 -0.019 0.000 0.892 387 T HN 0.635 nan 8.240 nan 0.000 0.514 388 G N 3.567 112.366 108.800 -0.001 0.000 2.241 388 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.244 388 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.244 388 G C 1.078 176.004 174.900 0.042 0.000 0.998 388 G CA 0.584 45.693 45.100 0.016 0.000 0.621 388 G HN 0.666 nan 8.290 nan 0.000 0.519 389 T N 0.706 115.287 114.554 0.045 0.000 2.815 389 T HA 0.279 4.627 4.350 -0.003 0.000 0.244 389 T C 2.434 177.197 174.700 0.105 0.000 1.040 389 T CA 1.198 63.367 62.100 0.115 0.000 1.176 389 T CB -0.186 68.749 68.868 0.113 0.000 0.880 389 T HN 0.194 nan 8.240 nan 0.000 0.414 390 L N 1.235 122.410 121.223 -0.080 0.000 2.131 390 L HA 0.085 4.423 4.340 -0.003 0.000 0.206 390 L C 1.648 178.364 176.870 -0.257 0.000 1.087 390 L CA 0.735 55.355 54.840 -0.367 0.000 0.767 390 L CB -0.585 41.301 42.059 -0.289 0.000 0.917 390 L HN 0.429 nan 8.230 nan 0.000 0.441 391 T N -4.130 110.358 114.554 -0.111 0.000 2.937 391 T HA 0.251 4.599 4.350 -0.003 0.000 0.283 391 T C 0.455 175.142 174.700 -0.022 0.000 1.012 391 T CA -0.778 61.281 62.100 -0.068 0.000 0.997 391 T CB 1.580 70.419 68.868 -0.048 0.000 1.136 391 T HN 0.137 nan 8.240 nan 0.000 0.551 392 Q N 0.304 120.098 119.800 -0.010 0.000 2.402 392 Q HA 0.249 4.587 4.340 -0.003 0.000 0.206 392 Q C -0.227 175.777 176.000 0.006 0.000 0.919 392 Q CA -0.348 55.460 55.803 0.007 0.000 0.923 392 Q CB 0.179 28.924 28.738 0.011 0.000 1.048 392 Q HN 0.663 nan 8.270 nan 0.000 0.515 393 N N 0.703 119.403 118.700 0.000 0.000 3.066 393 N HA -0.053 4.685 4.740 -0.003 0.000 0.268 393 N C -1.282 174.232 175.510 0.007 0.000 1.123 393 N CA 0.305 53.356 53.050 0.002 0.000 0.662 393 N CB -0.352 38.136 38.487 0.003 0.000 1.073 393 N HN 0.381 nan 8.380 nan 0.000 0.566 394 R N 0.183 120.688 120.500 0.008 0.000 3.000 394 R HA 0.574 4.912 4.340 -0.003 0.000 0.280 394 R C -1.365 174.945 176.300 0.017 0.000 0.950 394 R CA -0.442 55.667 56.100 0.015 0.000 0.822 394 R CB 0.650 30.962 30.300 0.019 0.000 1.445 394 R HN 0.316 nan 8.270 nan 0.000 0.492 395 M N -0.286 119.329 119.600 0.025 0.000 3.490 395 M HA 0.452 4.930 4.480 -0.003 0.000 0.306 395 M C -1.744 174.580 176.300 0.040 0.000 1.248 395 M CA -0.175 55.142 55.300 0.028 0.000 0.875 395 M CB 1.659 34.274 32.600 0.025 0.000 1.761 395 M HN 0.697 nan 8.290 nan 0.000 0.529 396 T N -0.324 114.256 114.554 0.042 0.000 2.660 396 T HA 0.399 4.747 4.350 -0.003 0.000 0.299 396 T C -0.810 173.921 174.700 0.051 0.000 1.763 396 T CA -0.128 62.007 62.100 0.058 0.000 0.959 396 T CB 0.848 69.765 68.868 0.081 0.000 1.935 396 T HN 0.608 nan 8.240 nan 0.000 0.470 397 V N 1.480 121.432 119.914 0.063 0.000 4.119 397 V HA 0.302 4.420 4.120 -0.003 0.000 0.286 397 V C 1.656 177.747 176.094 -0.005 0.000 0.996 397 V CA 1.972 64.287 62.300 0.025 0.000 1.027 397 V CB 1.011 32.825 31.823 -0.014 0.000 1.193 397 V HN 1.151 nan 8.190 nan 0.000 0.454 398 S N -2.021 113.635 115.700 -0.072 0.000 4.199 398 S HA 0.156 4.625 4.470 -0.003 0.000 0.180 398 S C -0.145 174.187 174.600 -0.447 0.000 1.034 398 S CA 0.042 58.123 58.200 -0.197 0.000 1.276 398 S CB -0.106 63.067 63.200 -0.046 0.000 1.471 398 S HN 0.803 nan 8.310 nan 0.000 0.439 399 H N 0.046 119.075 119.070 -0.069 0.000 2.980 399 H HA 0.838 5.392 4.556 -0.003 0.000 0.367 399 H C -1.716 173.594 175.328 -0.030 0.000 1.206 399 H CA -0.504 55.505 56.048 -0.064 0.000 1.126 399 H CB 1.584 31.339 29.762 -0.012 0.000 1.838 399 H HN 0.268 nan 8.280 nan 0.000 0.552 400 L N 0.760 122.084 121.223 0.168 0.000 2.388 400 L HA 0.378 4.716 4.340 -0.003 0.000 0.264 400 L C -1.423 175.702 176.870 0.426 0.000 0.998 400 L CA -0.536 54.475 54.840 0.285 0.000 0.817 400 L CB 1.694 43.956 42.059 0.339 0.000 1.338 400 L HN 0.656 nan 8.230 nan 0.000 0.414 401 W N 4.834 126.338 121.300 0.340 0.000 2.554 401 W HA 0.707 5.367 4.660 0.001 0.000 0.324 401 W C -1.542 175.261 176.519 0.473 0.000 1.018 401 W CA -0.841 56.666 57.345 0.270 0.000 1.243 401 W CB 1.274 30.859 29.460 0.208 0.000 1.345 401 W HN 0.371 nan 8.180 nan 0.000 0.441 402 F N 2.999 122.784 119.950 -0.275 0.000 2.741 402 F HA 0.428 4.951 4.527 -0.006 0.000 0.311 402 F C -0.027 175.610 175.800 -0.270 0.000 1.149 402 F CA -1.493 56.319 58.000 -0.314 0.000 0.930 402 F CB 0.923 39.935 39.000 0.021 0.000 1.312 402 F HN 0.176 nan 8.300 nan 0.000 0.450 403 D N 1.531 121.943 120.400 0.020 0.000 2.837 403 D HA -0.268 4.371 4.640 -0.003 0.000 0.230 403 D C 0.412 176.672 176.300 -0.067 0.000 1.152 403 D CA 1.797 55.842 54.000 0.074 0.000 0.736 403 D CB -1.432 39.491 40.800 0.205 0.000 1.084 403 D HN 1.122 nan 8.370 nan 0.000 0.429 404 N N -1.475 117.022 118.700 -0.340 0.000 2.696 404 N HA -0.339 4.399 4.740 -0.003 0.000 0.249 404 N C -0.563 174.918 175.510 -0.048 0.000 1.090 404 N CA 1.896 54.836 53.050 -0.184 0.000 0.716 404 N CB -1.335 37.265 38.487 0.189 0.000 1.020 404 N HN 0.754 nan 8.380 nan 0.000 0.548 405 H N -0.726 118.049 119.070 -0.490 0.000 2.851 405 H HA 0.469 5.025 4.556 -0.000 0.000 0.372 405 H C -0.588 174.573 175.328 -0.279 0.000 1.158 405 H CA -0.885 55.005 56.048 -0.264 0.000 1.159 405 H CB 1.088 30.645 29.762 -0.342 0.000 1.757 405 H HN 0.070 nan 8.280 nan 0.000 0.546 406 I N 3.931 124.236 120.570 -0.443 0.000 2.395 406 I HA 0.121 4.290 4.170 -0.003 0.000 0.289 406 I C 0.094 176.079 176.117 -0.219 0.000 1.023 406 I CA 0.012 61.234 61.300 -0.129 0.000 1.350 406 I CB 0.473 38.379 38.000 -0.157 0.000 1.409 406 I HN 0.570 nan 8.210 nan 0.000 0.507 407 H N 2.420 121.512 119.070 0.037 0.000 2.771 407 H HA 0.571 5.124 4.556 -0.004 0.000 0.367 407 H C -0.261 175.089 175.328 0.038 0.000 1.172 407 H CA -0.667 55.403 56.048 0.038 0.000 1.186 407 H CB 1.820 31.540 29.762 -0.070 0.000 1.790 407 H HN 0.531 nan 8.280 nan 0.000 0.556 408 S N 0.822 116.568 115.700 0.077 0.000 2.605 408 S HA 0.802 5.270 4.470 -0.003 0.000 0.308 408 S C -0.361 174.109 174.600 -0.218 0.000 1.113 408 S CA -0.897 57.220 58.200 -0.139 0.000 1.049 408 S CB 1.395 64.577 63.200 -0.030 0.000 1.001 408 S HN 0.844 nan 8.310 nan 0.000 0.480 409 A N 1.923 124.545 122.820 -0.329 0.000 2.257 409 A HA 0.612 4.930 4.320 -0.003 0.000 0.289 409 A C -0.050 177.538 177.584 0.006 0.000 1.095 409 A CA -0.512 51.476 52.037 -0.082 0.000 0.836 409 A CB 0.219 19.322 19.000 0.172 0.000 1.111 409 A HN 0.848 nan 8.150 nan 0.000 0.497 410 D N 0.023 120.491 120.400 0.113 0.000 2.316 410 D HA 0.279 4.917 4.640 -0.003 0.000 0.245 410 D C 1.415 177.754 176.300 0.064 0.000 1.171 410 D CA 0.595 54.634 54.000 0.065 0.000 0.856 410 D CB 1.023 41.862 40.800 0.066 0.000 1.090 410 D HN 0.492 nan 8.370 nan 0.000 0.476 411 T N 0.027 114.598 114.554 0.028 0.000 3.054 411 T HA 0.018 4.366 4.350 -0.003 0.000 0.259 411 T C 0.977 175.695 174.700 0.031 0.000 1.092 411 T CA 0.139 62.257 62.100 0.031 0.000 1.121 411 T CB -0.298 68.574 68.868 0.006 0.000 0.912 411 T HN 0.290 nan 8.240 nan 0.000 0.489 412 T N 3.434 118.002 114.554 0.023 0.000 2.903 412 T HA 0.074 4.422 4.350 -0.003 0.000 0.314 412 T C 1.603 176.315 174.700 0.020 0.000 1.078 412 T CA -0.159 61.951 62.100 0.017 0.000 1.114 412 T CB 1.020 69.897 68.868 0.014 0.000 0.987 412 T HN 0.488 nan 8.240 nan 0.000 0.548 413 E N 2.264 122.474 120.200 0.016 0.000 2.028 413 E HA -0.194 4.154 4.350 -0.003 0.000 0.191 413 E C 1.005 177.611 176.600 0.010 0.000 0.988 413 E CA 1.381 57.790 56.400 0.015 0.000 0.799 413 E CB -0.323 29.385 29.700 0.013 0.000 0.755 413 E HN 0.638 nan 8.360 nan 0.000 0.447 414 D N 0.720 121.125 120.400 0.008 0.000 2.264 414 D HA -0.133 4.505 4.640 -0.003 0.000 0.208 414 D C 0.455 176.758 176.300 0.004 0.000 0.966 414 D CA 1.062 55.065 54.000 0.005 0.000 0.864 414 D CB -0.153 40.651 40.800 0.006 0.000 0.933 414 D HN 0.140 nan 8.370 nan 0.000 0.499 415 Q N 0.159 119.964 119.800 0.009 0.000 2.470 415 Q HA -0.195 4.143 4.340 -0.003 0.000 0.294 415 Q C 0.729 176.735 176.000 0.010 0.000 1.356 415 Q CA 0.659 56.468 55.803 0.010 0.000 0.805 415 Q CB -1.978 26.760 28.738 0.001 0.000 1.157 415 Q HN 0.238 nan 8.270 nan 0.000 0.431 416 S N -2.596 113.111 115.700 0.011 0.000 2.555 416 S HA 0.192 4.660 4.470 -0.003 0.000 0.230 416 S C 1.168 175.777 174.600 0.014 0.000 0.978 416 S CA 0.170 58.377 58.200 0.011 0.000 0.934 416 S CB 0.290 63.497 63.200 0.010 0.000 0.766 416 S HN 0.682 nan 8.310 nan 0.000 0.533 417 G N 1.288 110.100 108.800 0.020 0.000 2.504 417 G HA2 0.484 4.442 3.960 -0.003 0.000 0.257 417 G HA3 0.484 4.442 3.960 -0.003 0.000 0.257 417 G C -0.337 174.582 174.900 0.031 0.000 1.451 417 G CA -0.668 44.448 45.100 0.028 0.000 1.059 417 G HN 0.620 nan 8.290 nan 0.000 0.550 418 Q N -2.425 117.402 119.800 0.046 0.000 2.445 418 Q HA 0.574 4.912 4.340 -0.003 0.000 0.281 418 Q C -0.909 175.132 176.000 0.070 0.000 1.101 418 Q CA -0.802 55.026 55.803 0.042 0.000 0.833 418 Q CB 1.439 30.199 28.738 0.036 0.000 1.416 418 Q HN 0.364 nan 8.270 nan 0.000 0.451 419 T N 0.864 115.436 114.554 0.030 0.000 2.794 419 T HA 0.232 4.581 4.350 -0.003 0.000 0.296 419 T C 0.385 175.081 174.700 -0.006 0.000 0.949 419 T CA -0.490 61.604 62.100 -0.010 0.000 1.101 419 T CB -0.003 68.799 68.868 -0.111 0.000 0.905 419 T HN 0.535 nan 8.240 nan 0.000 0.516 420 F N 3.245 123.168 119.950 -0.045 0.000 2.219 420 F HA 0.418 4.949 4.527 0.007 0.000 0.294 420 F C 0.477 176.245 175.800 -0.053 0.000 1.086 420 F CA 0.030 58.024 58.000 -0.009 0.000 1.330 420 F CB 0.043 39.076 39.000 0.054 0.000 1.047 420 F HN 0.506 nan 8.300 nan 0.000 0.495 421 D N -0.674 118.888 120.400 -1.397 0.000 2.521 421 D HA 0.095 4.733 4.640 -0.003 0.000 0.195 421 D C 0.027 175.636 176.300 -1.152 0.000 1.286 421 D CA -0.135 53.315 54.000 -0.916 0.000 0.854 421 D CB 0.880 41.360 40.800 -0.533 0.000 1.723 421 D HN 0.398 nan 8.370 nan 0.000 0.550 422 Q N 1.863 121.325 119.800 -0.564 0.000 2.349 422 Q HA 0.102 4.440 4.340 -0.003 0.000 0.209 422 Q C 1.302 177.252 176.000 -0.084 0.000 0.920 422 Q CA 0.460 56.079 55.803 -0.307 0.000 0.901 422 Q CB 0.045 28.699 28.738 -0.141 0.000 1.021 422 Q HN 0.236 nan 8.270 nan 0.000 0.519 423 S N 1.087 116.736 115.700 -0.085 0.000 2.368 423 S HA -0.085 4.383 4.470 -0.003 0.000 0.225 423 S C 1.147 175.781 174.600 0.057 0.000 1.030 423 S CA 0.882 59.081 58.200 -0.001 0.000 0.999 423 S CB -0.387 62.809 63.200 -0.007 0.000 0.844 423 S HN 0.505 nan 8.310 nan 0.000 0.459 424 S N 0.731 116.484 115.700 0.089 0.000 2.558 424 S HA 0.039 4.507 4.470 -0.003 0.000 0.288 424 S C 0.905 175.579 174.600 0.122 0.000 1.318 424 S CA 0.060 58.343 58.200 0.138 0.000 1.056 424 S CB 0.886 64.230 63.200 0.241 0.000 0.853 424 S HN 0.563 nan 8.310 nan 0.000 0.505 425 E N 3.052 123.299 120.200 0.079 0.000 2.150 425 E HA -0.069 4.279 4.350 -0.003 0.000 0.193 425 E C 1.754 178.357 176.600 0.005 0.000 0.985 425 E CA 1.956 58.380 56.400 0.039 0.000 0.814 425 E CB -0.418 29.301 29.700 0.031 0.000 0.752 425 E HN 0.790 nan 8.360 nan 0.000 0.466 426 T N 0.551 115.121 114.554 0.027 0.000 2.746 426 T HA -0.179 4.169 4.350 -0.003 0.000 0.267 426 T C 1.330 175.919 174.700 -0.185 0.000 1.039 426 T CA 1.239 63.321 62.100 -0.031 0.000 1.142 426 T CB -0.607 68.306 68.868 0.076 0.000 0.866 426 T HN 0.466 nan 8.240 nan 0.000 0.444 427 W N 2.616 123.657 121.300 -0.433 0.000 2.318 427 W HA -0.228 4.428 4.660 -0.007 0.000 0.313 427 W C 2.095 178.396 176.519 -0.364 0.000 1.221 427 W CA 1.223 58.204 57.345 -0.607 0.000 1.266 427 W CB -0.278 28.926 29.460 -0.427 0.000 1.150 427 W HN 0.209 nan 8.180 nan 0.000 0.496 428 R N 0.267 120.531 120.500 -0.393 0.000 2.081 428 R HA -0.125 4.213 4.340 -0.003 0.000 0.235 428 R C 2.586 178.628 176.300 -0.430 0.000 1.131 428 R CA 1.661 57.483 56.100 -0.462 0.000 0.960 428 R CB -0.941 29.245 30.300 -0.191 0.000 0.856 428 R HN 0.189 nan 8.270 nan 0.000 0.436 429 A N 1.306 123.943 122.820 -0.305 0.000 1.902 429 A HA -0.165 4.154 4.320 -0.003 0.000 0.217 429 A C 2.089 179.468 177.584 -0.340 0.000 1.181 429 A CA 1.104 52.984 52.037 -0.261 0.000 0.623 429 A CB -0.430 18.473 19.000 -0.162 0.000 0.818 429 A HN 0.233 nan 8.150 nan 0.000 0.443 430 L N -0.334 120.632 121.223 -0.429 0.000 2.027 430 L HA -0.145 4.194 4.340 -0.003 0.000 0.206 430 L C 2.477 178.962 176.870 -0.643 0.000 1.074 430 L CA 2.181 56.718 54.840 -0.505 0.000 0.745 430 L CB -0.921 40.808 42.059 -0.551 0.000 0.898 430 L HN 0.446 nan 8.230 nan 0.000 0.433 431 C N -0.247 118.543 119.300 -0.849 0.000 2.413 431 C HA -0.153 4.305 4.460 -0.003 0.000 0.277 431 C C 2.918 177.539 174.990 -0.614 0.000 1.265 431 C CA 1.095 59.605 59.018 -0.846 0.000 1.752 431 C CB -1.131 25.999 27.740 -1.016 0.000 1.998 431 C HN 0.570 nan 8.230 nan 0.000 0.489 432 R N 0.461 120.635 120.500 -0.543 0.000 2.083 432 R HA -0.141 4.197 4.340 -0.003 0.000 0.237 432 R C 2.226 178.290 176.300 -0.393 0.000 1.137 432 R CA 1.947 57.762 56.100 -0.475 0.000 0.951 432 R CB -0.608 29.433 30.300 -0.433 0.000 0.851 432 R HN 0.416 nan 8.270 nan 0.000 0.434 433 V N 1.161 120.883 119.914 -0.321 0.000 2.427 433 V HA -0.174 3.944 4.120 -0.003 0.000 0.248 433 V C 2.234 178.252 176.094 -0.128 0.000 1.051 433 V CA 1.518 63.716 62.300 -0.169 0.000 1.048 433 V CB -0.180 31.632 31.823 -0.019 0.000 0.666 433 V HN 0.349 nan 8.190 nan 0.000 0.456 434 L N -0.253 120.801 121.223 -0.281 0.000 2.046 434 L HA -0.160 4.179 4.340 -0.003 0.000 0.208 434 L C 2.694 179.479 176.870 -0.142 0.000 1.077 434 L CA 2.315 57.015 54.840 -0.233 0.000 0.747 434 L CB -0.950 40.886 42.059 -0.373 0.000 0.896 434 L HN 0.420 nan 8.230 nan 0.000 0.432 435 T N -0.638 113.786 114.554 -0.217 0.000 2.851 435 T HA -0.069 4.279 4.350 -0.003 0.000 0.262 435 T C 1.799 176.428 174.700 -0.119 0.000 1.043 435 T CA 0.940 62.939 62.100 -0.168 0.000 1.140 435 T CB 0.102 68.819 68.868 -0.252 0.000 0.872 435 T HN -0.005 nan 8.240 nan 0.000 0.446 436 L N 1.045 122.158 121.223 -0.184 0.000 2.049 436 L HA 0.250 4.588 4.340 -0.003 0.000 0.203 436 L C 2.051 178.903 176.870 -0.029 0.000 1.074 436 L CA 0.915 55.626 54.840 -0.215 0.000 0.749 436 L CB -1.058 40.671 42.059 -0.551 0.000 0.907 436 L HN 0.382 nan 8.230 nan 0.000 0.439 437 C N 2.621 121.927 119.300 0.010 0.000 2.756 437 C HA 0.385 4.844 4.460 -0.003 0.000 0.504 437 C C 0.261 175.300 174.990 0.081 0.000 1.028 437 C CA -0.325 58.751 59.018 0.096 0.000 1.167 437 C CB -2.733 25.077 27.740 0.117 0.000 1.444 437 C HN 0.471 nan 8.230 nan 0.000 0.577 438 N N 2.254 120.990 118.700 0.060 0.000 2.666 438 N HA 0.224 4.962 4.740 -0.003 0.000 0.260 438 N C 0.231 175.753 175.510 0.019 0.000 1.077 438 N CA -0.520 52.548 53.050 0.030 0.000 1.026 438 N CB 0.957 39.445 38.487 0.001 0.000 1.653 438 N HN 0.561 nan 8.380 nan 0.000 0.533 439 R N 0.866 121.369 120.500 0.006 0.000 2.210 439 R HA 0.297 4.635 4.340 -0.003 0.000 0.203 439 R C 0.873 177.153 176.300 -0.034 0.000 1.010 439 R CA 0.278 56.377 56.100 -0.002 0.000 1.008 439 R CB 0.141 30.443 30.300 0.005 0.000 0.923 439 R HN 0.539 nan 8.270 nan 0.000 0.469 440 A N 1.513 124.292 122.820 -0.068 0.000 2.466 440 A HA 0.510 4.828 4.320 -0.003 0.000 0.238 440 A C -0.080 177.396 177.584 -0.180 0.000 1.074 440 A CA 0.168 52.132 52.037 -0.122 0.000 0.774 440 A CB 0.318 19.222 19.000 -0.159 0.000 1.015 440 A HN 0.335 nan 8.150 nan 0.000 0.498 441 A N 0.853 123.552 122.820 -0.202 0.000 2.515 441 A HA 0.717 5.035 4.320 -0.003 0.000 0.298 441 A C -0.825 176.611 177.584 -0.247 0.000 1.059 441 A CA -0.630 51.280 52.037 -0.211 0.000 0.698 441 A CB 0.647 19.614 19.000 -0.055 0.000 1.289 441 A HN 0.658 nan 8.150 nan 0.000 0.404 442 F N 1.949 121.913 119.950 0.023 0.000 2.429 442 F HA 0.316 4.841 4.527 -0.004 0.000 0.348 442 F C 1.255 177.065 175.800 0.017 0.000 1.109 442 F CA -0.028 57.983 58.000 0.020 0.000 1.232 442 F CB 0.794 39.806 39.000 0.019 0.000 1.157 442 F HN 0.360 nan 8.300 nan 0.000 0.564 443 K N 1.077 121.599 120.400 0.204 0.000 2.397 443 K HA 0.036 4.354 4.320 -0.003 0.000 0.265 443 K C 0.320 176.991 176.600 0.118 0.000 0.982 443 K CA -0.080 56.278 56.287 0.118 0.000 0.931 443 K CB 0.750 33.303 32.500 0.088 0.000 0.943 443 K HN 0.664 nan 8.250 nan 0.000 0.501 444 S N -0.403 115.343 115.700 0.077 0.000 2.592 444 S HA 0.390 4.858 4.470 -0.003 0.000 0.271 444 S C 0.866 175.492 174.600 0.043 0.000 1.326 444 S CA 0.685 58.922 58.200 0.061 0.000 1.024 444 S CB 0.294 63.520 63.200 0.044 0.000 0.921 444 S HN 0.770 nan 8.310 nan 0.000 0.527 445 G N 2.761 111.579 108.800 0.029 0.000 2.136 445 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.242 445 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.242 445 G C 0.597 175.500 174.900 0.004 0.000 0.989 445 G CA 0.462 45.570 45.100 0.014 0.000 0.682 445 G HN 0.644 nan 8.290 nan 0.000 0.522 446 Q N -0.046 119.753 119.800 -0.002 0.000 2.331 446 Q HA 0.018 4.356 4.340 -0.003 0.000 0.203 446 Q C 1.872 177.837 176.000 -0.059 0.000 0.944 446 Q CA 1.231 57.017 55.803 -0.028 0.000 0.892 446 Q CB -0.127 28.584 28.738 -0.045 0.000 0.983 446 Q HN 0.572 nan 8.270 nan 0.000 0.482 447 D N 1.357 121.722 120.400 -0.058 0.000 2.203 447 D HA -0.164 4.474 4.640 -0.003 0.000 0.199 447 D C 1.708 177.973 176.300 -0.059 0.000 0.997 447 D CA 1.417 55.375 54.000 -0.071 0.000 0.863 447 D CB -0.084 40.686 40.800 -0.050 0.000 0.928 447 D HN 0.280 nan 8.370 nan 0.000 0.458 448 A N 0.491 123.287 122.820 -0.040 0.000 1.902 448 A HA -0.052 4.266 4.320 -0.003 0.000 0.217 448 A C 1.353 178.915 177.584 -0.038 0.000 1.181 448 A CA 1.244 53.261 52.037 -0.033 0.000 0.623 448 A CB -0.770 18.217 19.000 -0.021 0.000 0.818 448 A HN 0.197 nan 8.150 nan 0.000 0.443 449 V N -3.298 116.591 119.914 -0.042 0.000 2.834 449 V HA 0.486 4.604 4.120 -0.003 0.000 0.301 449 V C -2.763 173.293 176.094 -0.062 0.000 1.066 449 V CA -2.537 59.739 62.300 -0.040 0.000 1.052 449 V CB 0.334 32.140 31.823 -0.028 0.000 1.021 449 V HN 0.124 nan 8.190 nan 0.000 0.480 450 P HA 0.178 nan 4.420 nan 0.000 0.272 450 P C 0.852 178.107 177.300 -0.075 0.000 1.223 450 P CA -0.110 62.955 63.100 -0.058 0.000 0.784 450 P CB 1.219 32.899 31.700 -0.033 0.000 0.923 451 V N 4.412 124.266 119.914 -0.100 0.000 2.233 451 V HA -0.126 3.992 4.120 -0.003 0.000 0.247 451 V C -0.731 175.360 176.094 -0.005 0.000 1.050 451 V CA 2.202 64.429 62.300 -0.122 0.000 1.010 451 V CB -1.770 29.980 31.823 -0.122 0.000 0.637 451 V HN 0.641 nan 8.190 nan 0.000 0.444 452 P HA -0.159 nan 4.420 nan 0.000 0.219 452 P C 1.157 178.489 177.300 0.054 0.000 1.146 452 P CA 1.530 64.664 63.100 0.057 0.000 0.808 452 P CB -0.071 31.653 31.700 0.040 0.000 0.779 453 K N 0.208 120.625 120.400 0.029 0.000 2.116 453 K HA -0.032 4.286 4.320 -0.003 0.000 0.203 453 K C 1.374 177.999 176.600 0.041 0.000 1.052 453 K CA 0.559 56.862 56.287 0.027 0.000 0.952 453 K CB -0.573 31.932 32.500 0.009 0.000 0.729 453 K HN 0.342 nan 8.250 nan 0.000 0.446 454 R N 1.043 121.567 120.500 0.041 0.000 2.643 454 R HA 0.182 4.520 4.340 -0.003 0.000 0.270 454 R C -0.025 176.357 176.300 0.135 0.000 1.061 454 R CA -0.310 55.828 56.100 0.064 0.000 1.107 454 R CB 0.253 30.561 30.300 0.014 0.000 0.999 454 R HN 0.036 nan 8.270 nan 0.000 0.460 455 I N 2.962 123.602 120.570 0.117 0.000 2.529 455 I HA 0.135 4.303 4.170 -0.003 0.000 0.284 455 I C -0.764 175.443 176.117 0.150 0.000 1.082 455 I CA -0.530 60.836 61.300 0.109 0.000 1.406 455 I CB 0.968 39.010 38.000 0.069 0.000 1.405 455 I HN 0.425 nan 8.210 nan 0.000 0.548 456 V N 8.001 127.976 119.914 0.101 0.000 2.815 456 V HA 0.423 4.541 4.120 -0.003 0.000 0.314 456 V C -0.061 176.031 176.094 -0.003 0.000 1.064 456 V CA -0.724 61.596 62.300 0.033 0.000 0.952 456 V CB 2.025 33.806 31.823 -0.071 0.000 1.020 456 V HN 0.498 nan 8.190 nan 0.000 0.439 457 I N 3.045 123.596 120.570 -0.031 0.000 2.312 457 I HA 0.761 4.929 4.170 -0.003 0.000 0.290 457 I C 0.618 176.708 176.117 -0.045 0.000 1.008 457 I CA 0.332 61.618 61.300 -0.023 0.000 1.226 457 I CB 1.112 39.105 38.000 -0.012 0.000 1.371 457 I HN 0.875 nan 8.210 nan 0.000 0.468 458 G N 4.697 113.478 108.800 -0.033 0.000 2.361 458 G HA2 0.079 4.037 3.960 -0.003 0.000 0.305 458 G HA3 0.079 4.037 3.960 -0.003 0.000 0.305 458 G C -1.652 173.229 174.900 -0.031 0.000 1.367 458 G CA -0.981 44.096 45.100 -0.038 0.000 0.951 458 G HN 0.597 nan 8.290 nan 0.000 0.615 459 D N 0.025 120.404 120.400 -0.034 0.000 2.360 459 D HA 0.523 5.161 4.640 -0.003 0.000 0.242 459 D C 1.591 177.874 176.300 -0.030 0.000 1.184 459 D CA 0.376 54.356 54.000 -0.033 0.000 0.930 459 D CB 0.969 41.739 40.800 -0.049 0.000 1.161 459 D HN 0.984 nan 8.370 nan 0.000 0.447 460 A N 1.106 123.914 122.820 -0.021 0.000 1.877 460 A HA -0.184 4.134 4.320 -0.003 0.000 0.216 460 A C 2.207 179.786 177.584 -0.008 0.000 1.186 460 A CA 2.585 54.618 52.037 -0.008 0.000 0.620 460 A CB -1.165 17.835 19.000 0.000 0.000 0.822 460 A HN 0.712 nan 8.150 nan 0.000 0.443 461 S N -0.040 115.647 115.700 -0.022 0.000 2.368 461 S HA -0.197 4.271 4.470 -0.003 0.000 0.225 461 S C 1.700 176.298 174.600 -0.004 0.000 1.030 461 S CA 1.451 59.643 58.200 -0.013 0.000 0.999 461 S CB -0.564 62.611 63.200 -0.042 0.000 0.844 461 S HN 0.662 nan 8.310 nan 0.000 0.459 462 E N 0.428 120.612 120.200 -0.028 0.000 2.150 462 E HA -0.092 4.257 4.350 -0.003 0.000 0.193 462 E C 2.179 178.759 176.600 -0.033 0.000 0.985 462 E CA 1.299 57.684 56.400 -0.025 0.000 0.814 462 E CB -0.389 29.286 29.700 -0.042 0.000 0.752 462 E HN 0.611 nan 8.360 nan 0.000 0.466 463 T N 0.253 114.785 114.554 -0.036 0.000 2.821 463 T HA -0.097 4.252 4.350 -0.003 0.000 0.267 463 T C 1.882 176.588 174.700 0.011 0.000 1.046 463 T CA 1.195 63.267 62.100 -0.046 0.000 1.139 463 T CB -0.082 68.770 68.868 -0.026 0.000 0.871 463 T HN 0.226 nan 8.240 nan 0.000 0.454 464 A N 1.112 123.954 122.820 0.037 0.000 1.877 464 A HA 0.050 4.368 4.320 -0.003 0.000 0.216 464 A C 2.314 179.964 177.584 0.110 0.000 1.186 464 A CA 1.389 53.473 52.037 0.078 0.000 0.620 464 A CB -0.817 18.221 19.000 0.063 0.000 0.822 464 A HN 0.575 nan 8.150 nan 0.000 0.443 465 L N -0.826 120.439 121.223 0.070 0.000 2.046 465 L HA -0.146 4.192 4.340 -0.003 0.000 0.208 465 L C 2.628 179.553 176.870 0.092 0.000 1.077 465 L CA 1.171 56.052 54.840 0.069 0.000 0.747 465 L CB -0.523 41.556 42.059 0.033 0.000 0.896 465 L HN 0.477 nan 8.230 nan 0.000 0.432 466 L N -0.033 121.209 121.223 0.033 0.000 2.017 466 L HA -0.250 4.089 4.340 -0.003 0.000 0.208 466 L C 2.596 179.557 176.870 0.151 0.000 1.073 466 L CA 1.565 56.405 54.840 -0.000 0.000 0.745 466 L CB -0.086 41.839 42.059 -0.223 0.000 0.894 466 L HN 0.178 nan 8.230 nan 0.000 0.432 467 K N -0.617 119.902 120.400 0.197 0.000 2.147 467 K HA -0.191 4.128 4.320 -0.003 0.000 0.205 467 K C 1.695 178.418 176.600 0.206 0.000 1.049 467 K CA 1.464 57.916 56.287 0.276 0.000 0.936 467 K CB -0.499 32.138 32.500 0.227 0.000 0.722 467 K HN 0.251 nan 8.250 nan 0.000 0.446 468 F N 0.584 120.589 119.950 0.091 0.000 2.084 468 F HA -0.212 4.313 4.527 -0.004 0.000 0.296 468 F C 2.526 178.384 175.800 0.098 0.000 1.111 468 F CA 1.650 59.706 58.000 0.094 0.000 1.224 468 F CB -0.614 38.431 39.000 0.075 0.000 0.991 468 F HN 0.018 nan 8.300 nan 0.000 0.471 469 S N -0.477 115.343 115.700 0.200 0.000 2.368 469 S HA -0.224 4.245 4.470 -0.003 0.000 0.224 469 S C 2.037 176.638 174.600 0.001 0.000 1.029 469 S CA 1.473 59.703 58.200 0.050 0.000 0.988 469 S CB -0.508 62.665 63.200 -0.045 0.000 0.838 469 S HN 0.512 nan 8.310 nan 0.000 0.462 470 E N 0.606 120.856 120.200 0.082 0.000 2.118 470 E HA -0.114 4.234 4.350 -0.003 0.000 0.195 470 E C 1.866 178.474 176.600 0.013 0.000 0.992 470 E CA 1.152 57.612 56.400 0.100 0.000 0.804 470 E CB -0.465 29.362 29.700 0.211 0.000 0.741 470 E HN 0.468 nan 8.360 nan 0.000 0.458 471 L N -0.244 120.955 121.223 -0.040 0.000 1.988 471 L HA -0.091 4.247 4.340 -0.003 0.000 0.207 471 L C 2.477 179.287 176.870 -0.101 0.000 1.071 471 L CA 2.474 57.260 54.840 -0.090 0.000 0.744 471 L CB -1.121 40.852 42.059 -0.142 0.000 0.893 471 L HN 0.231 nan 8.230 nan 0.000 0.433 472 T N -1.822 112.634 114.554 -0.163 0.000 2.978 472 T HA -0.054 4.294 4.350 -0.003 0.000 0.262 472 T C 1.630 176.344 174.700 0.024 0.000 1.063 472 T CA 1.074 63.128 62.100 -0.076 0.000 1.140 472 T CB -0.089 68.747 68.868 -0.052 0.000 0.886 472 T HN 0.204 nan 8.240 nan 0.000 0.470 473 L N 0.543 121.770 121.223 0.007 0.000 2.416 473 L HA 0.442 4.780 4.340 -0.003 0.000 0.216 473 L C 1.097 178.029 176.870 0.104 0.000 1.098 473 L CA 1.280 56.128 54.840 0.013 0.000 0.840 473 L CB -0.388 41.573 42.059 -0.163 0.000 0.981 473 L HN 0.501 nan 8.230 nan 0.000 0.462 474 G N -0.571 108.277 108.800 0.081 0.000 2.660 474 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.247 474 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.247 474 G C -0.636 174.359 174.900 0.157 0.000 1.328 474 G CA -0.373 44.795 45.100 0.112 0.000 0.884 474 G HN 0.243 nan 8.290 nan 0.000 0.531 475 N N 0.984 119.776 118.700 0.154 0.000 2.447 475 N HA 0.323 5.061 4.740 -0.003 0.000 0.263 475 N C 1.474 177.157 175.510 0.288 0.000 1.226 475 N CA 0.731 53.880 53.050 0.165 0.000 0.906 475 N CB 1.390 39.937 38.487 0.100 0.000 1.060 475 N HN 1.060 nan 8.380 nan 0.000 0.468 476 A N 3.957 126.932 122.820 0.260 0.000 1.930 476 A HA -0.196 4.122 4.320 -0.003 0.000 0.217 476 A C 2.137 179.871 177.584 0.251 0.000 1.175 476 A CA 1.228 53.415 52.037 0.250 0.000 0.627 476 A CB -0.430 18.670 19.000 0.166 0.000 0.815 476 A HN 0.862 nan 8.150 nan 0.000 0.443 477 M N -0.983 118.733 119.600 0.193 0.000 2.159 477 M HA 0.002 4.480 4.480 -0.003 0.000 0.263 477 M C 1.977 178.342 176.300 0.107 0.000 1.063 477 M CA 1.952 57.334 55.300 0.136 0.000 1.110 477 M CB -1.114 31.552 32.600 0.110 0.000 1.374 477 M HN 0.153 nan 8.290 nan 0.000 0.411 478 G N -0.053 108.801 108.800 0.090 0.000 2.440 478 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.218 478 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.218 478 G C 1.077 175.919 174.900 -0.097 0.000 1.154 478 G CA 0.989 46.062 45.100 -0.045 0.000 0.767 478 G HN 0.562 nan 8.290 nan 0.000 0.552 479 Y N 0.109 120.450 120.300 0.067 0.000 2.200 479 Y HA 0.013 4.559 4.550 -0.006 0.000 0.290 479 Y C 2.981 178.975 175.900 0.156 0.000 1.137 479 Y CA 1.385 59.566 58.100 0.135 0.000 1.163 479 Y CB -0.249 38.250 38.460 0.065 0.000 0.988 479 Y HN 0.042 nan 8.280 nan 0.000 0.518 480 R N 0.574 121.210 120.500 0.227 0.000 2.096 480 R HA -0.123 4.215 4.340 -0.003 0.000 0.235 480 R C 1.999 178.378 176.300 0.131 0.000 1.127 480 R CA 1.438 57.632 56.100 0.157 0.000 0.968 480 R CB -0.176 30.195 30.300 0.118 0.000 0.861 480 R HN 0.234 nan 8.270 nan 0.000 0.440 481 E N 0.288 120.532 120.200 0.073 0.000 2.072 481 E HA -0.171 4.177 4.350 -0.003 0.000 0.190 481 E C 1.951 178.529 176.600 -0.037 0.000 0.982 481 E CA 1.355 57.766 56.400 0.018 0.000 0.803 481 E CB -0.220 29.471 29.700 -0.015 0.000 0.755 481 E HN 0.511 nan 8.360 nan 0.000 0.453 482 R N 0.044 120.483 120.500 -0.102 0.000 2.096 482 R HA -0.056 4.282 4.340 -0.003 0.000 0.235 482 R C 0.420 176.425 176.300 -0.492 0.000 1.127 482 R CA 0.921 56.824 56.100 -0.328 0.000 0.968 482 R CB -0.447 29.579 30.300 -0.458 0.000 0.861 482 R HN 0.008 nan 8.270 nan 0.000 0.440 483 F N 2.381 122.319 119.950 -0.020 0.000 2.363 483 F HA 0.488 5.012 4.527 -0.006 0.000 0.366 483 F C -2.284 173.576 175.800 0.101 0.000 1.083 483 F CA -3.184 54.820 58.000 0.006 0.000 1.176 483 F CB 1.450 40.412 39.000 -0.062 0.000 1.432 483 F HN -0.181 nan 8.300 nan 0.000 0.482 484 P HA -0.009 nan 4.420 nan 0.000 0.268 484 P C -0.391 177.071 177.300 0.269 0.000 1.205 484 P CA -0.328 62.887 63.100 0.192 0.000 0.771 484 P CB 0.727 32.475 31.700 0.080 0.000 0.858 485 K N 2.839 123.360 120.400 0.202 0.000 2.310 485 K HA 0.126 4.444 4.320 -0.003 0.000 0.290 485 K C 1.084 177.598 176.600 -0.144 0.000 1.077 485 K CA -0.379 55.828 56.287 -0.134 0.000 0.922 485 K CB 0.317 32.778 32.500 -0.064 0.000 1.057 485 K HN 0.234 nan 8.250 nan 0.000 0.479 486 V N 2.024 121.808 119.914 -0.216 0.000 2.379 486 V HA 0.005 4.124 4.120 -0.003 0.000 0.243 486 V C 0.733 176.750 176.094 -0.129 0.000 1.035 486 V CA 0.893 63.127 62.300 -0.110 0.000 1.035 486 V CB -0.897 30.893 31.823 -0.054 0.000 0.673 486 V HN 0.876 nan 8.190 nan 0.000 0.457 487 C N 0.258 119.410 119.300 -0.246 0.000 3.285 487 C HA 0.888 5.346 4.460 -0.003 0.000 0.325 487 C C -0.957 173.903 174.990 -0.218 0.000 1.304 487 C CA -0.242 58.674 59.018 -0.170 0.000 1.319 487 C CB 1.083 28.762 27.740 -0.102 0.000 1.640 487 C HN 0.956 nan 8.230 nan 0.000 0.477 488 E N 1.087 121.229 120.200 -0.097 0.000 2.412 488 E HA 0.716 5.064 4.350 -0.003 0.000 0.279 488 E C -1.806 174.805 176.600 0.018 0.000 0.984 488 E CA -0.907 55.458 56.400 -0.058 0.000 0.788 488 E CB 1.749 31.424 29.700 -0.043 0.000 1.277 488 E HN 0.693 nan 8.360 nan 0.000 0.455 489 I N 2.489 123.093 120.570 0.056 0.000 2.330 489 I HA 0.303 4.471 4.170 -0.003 0.000 0.286 489 I C -2.144 173.969 176.117 -0.006 0.000 1.025 489 I CA -2.460 58.862 61.300 0.036 0.000 1.197 489 I CB 1.367 39.403 38.000 0.061 0.000 1.358 489 I HN 0.352 nan 8.210 nan 0.000 0.467 490 P HA -0.106 nan 4.420 nan 0.000 0.267 490 P C -0.298 176.987 177.300 -0.026 0.000 1.200 490 P CA -0.073 63.035 63.100 0.013 0.000 0.772 490 P CB 0.485 32.193 31.700 0.014 0.000 0.855 491 F N 3.540 123.428 119.950 -0.104 0.000 2.569 491 F HA -0.025 4.500 4.527 -0.003 0.000 0.395 491 F C 0.518 176.225 175.800 -0.155 0.000 1.028 491 F CA 0.622 58.533 58.000 -0.149 0.000 1.158 491 F CB -0.268 38.682 39.000 -0.083 0.000 1.023 491 F HN 0.219 nan 8.300 nan 0.000 0.547 492 N N 3.327 121.581 118.700 -0.743 0.000 2.482 492 N HA 0.211 4.949 4.740 -0.003 0.000 0.279 492 N C 0.784 175.923 175.510 -0.619 0.000 1.182 492 N CA -0.401 52.343 53.050 -0.510 0.000 0.969 492 N CB 1.711 39.938 38.487 -0.433 0.000 1.201 492 N HN 0.576 nan 8.380 nan 0.000 0.523 493 S N -0.417 115.127 115.700 -0.259 0.000 2.368 493 S HA -0.140 4.328 4.470 -0.003 0.000 0.224 493 S C 1.939 176.423 174.600 -0.194 0.000 1.029 493 S CA 1.795 59.910 58.200 -0.142 0.000 0.988 493 S CB -0.325 62.851 63.200 -0.041 0.000 0.838 493 S HN 0.845 nan 8.310 nan 0.000 0.462 494 T N 1.094 115.528 114.554 -0.200 0.000 2.770 494 T HA -0.032 4.316 4.350 -0.003 0.000 0.263 494 T C 1.500 176.082 174.700 -0.197 0.000 1.039 494 T CA 1.524 63.532 62.100 -0.152 0.000 1.142 494 T CB -0.703 68.094 68.868 -0.119 0.000 0.868 494 T HN 0.277 nan 8.240 nan 0.000 0.435 495 N N 1.334 119.814 118.700 -0.367 0.000 2.166 495 N HA 0.012 4.750 4.740 -0.003 0.000 0.186 495 N C 0.468 175.785 175.510 -0.322 0.000 1.019 495 N CA 0.863 53.650 53.050 -0.438 0.000 0.856 495 N CB -0.201 37.599 38.487 -1.145 0.000 0.993 495 N HN 0.242 nan 8.380 nan 0.000 0.426 496 K N -0.796 119.222 120.400 -0.637 0.000 3.209 496 K HA -0.185 4.133 4.320 -0.003 0.000 0.289 496 K C -0.947 175.614 176.600 -0.065 0.000 1.191 496 K CA 0.890 56.949 56.287 -0.381 0.000 0.851 496 K CB -2.276 30.254 32.500 0.049 0.000 1.242 496 K HN 0.509 nan 8.250 nan 0.000 0.480 497 F N -2.061 117.617 119.950 -0.453 0.000 2.713 497 F HA 0.596 5.121 4.527 -0.003 0.000 0.311 497 F C -0.969 174.850 175.800 0.033 0.000 1.141 497 F CA -1.161 56.852 58.000 0.021 0.000 0.939 497 F CB 1.487 40.486 39.000 -0.002 0.000 1.325 497 F HN -0.094 nan 8.300 nan 0.000 0.453 498 Q N 2.625 122.669 119.800 0.406 0.000 2.323 498 Q HA 0.722 5.060 4.340 -0.003 0.000 0.271 498 Q C -2.055 174.136 176.000 0.317 0.000 1.048 498 Q CA -1.020 54.931 55.803 0.246 0.000 0.792 498 Q CB 2.607 31.502 28.738 0.262 0.000 1.280 498 Q HN 0.872 nan 8.270 nan 0.000 0.441 499 L N -0.030 121.357 121.223 0.273 0.000 2.327 499 L HA 0.898 5.237 4.340 -0.003 0.000 0.258 499 L C -0.960 175.969 176.870 0.098 0.000 1.024 499 L CA -0.490 54.476 54.840 0.211 0.000 0.825 499 L CB 2.242 44.461 42.059 0.265 0.000 1.386 499 L HN 0.469 nan 8.230 nan 0.000 0.417 500 S N 0.437 116.153 115.700 0.026 0.000 2.618 500 S HA 0.818 5.286 4.470 -0.003 0.000 0.277 500 S C -0.935 173.520 174.600 -0.243 0.000 1.138 500 S CA -0.506 57.631 58.200 -0.104 0.000 0.844 500 S CB 1.670 64.876 63.200 0.010 0.000 1.127 500 S HN 0.601 nan 8.310 nan 0.000 0.474 501 I N 2.231 122.496 120.570 -0.509 0.000 2.465 501 I HA 0.489 4.657 4.170 -0.003 0.000 0.291 501 I C -0.733 175.054 176.117 -0.551 0.000 1.014 501 I CA -0.493 60.469 61.300 -0.564 0.000 1.093 501 I CB 1.484 38.895 38.000 -0.983 0.000 1.267 501 I HN 0.513 nan 8.210 nan 0.000 0.431 502 H N 2.592 121.571 119.070 -0.151 0.000 2.851 502 H HA 0.246 4.801 4.556 -0.002 0.000 0.372 502 H C -0.654 174.683 175.328 0.016 0.000 1.158 502 H CA -0.654 55.377 56.048 -0.028 0.000 1.159 502 H CB 2.664 32.442 29.762 0.025 0.000 1.757 502 H HN 0.388 nan 8.280 nan 0.000 0.546 503 T N 2.175 116.824 114.554 0.158 0.000 2.851 503 T HA 0.157 4.505 4.350 -0.003 0.000 0.298 503 T C 0.048 174.845 174.700 0.162 0.000 0.977 503 T CA -0.607 61.513 62.100 0.034 0.000 1.126 503 T CB -0.152 68.706 68.868 -0.018 0.000 0.916 503 T HN 0.250 nan 8.240 nan 0.000 0.529 504 L N 5.463 126.749 121.223 0.105 0.000 2.380 504 L HA 0.313 4.651 4.340 -0.003 0.000 0.273 504 L C 1.642 178.477 176.870 -0.058 0.000 1.138 504 L CA 0.201 55.204 54.840 0.271 0.000 0.832 504 L CB 0.716 42.869 42.059 0.157 0.000 1.124 504 L HN 0.881 nan 8.230 nan 0.000 0.454 505 E N 1.421 121.294 120.200 -0.545 0.000 2.110 505 E HA -0.179 4.170 4.350 -0.003 0.000 0.193 505 E C 0.178 176.616 176.600 -0.269 0.000 0.988 505 E CA 0.647 56.620 56.400 -0.711 0.000 0.804 505 E CB -0.251 28.761 29.700 -1.147 0.000 0.745 505 E HN 0.685 nan 8.360 nan 0.000 0.458 506 D N 2.632 122.981 120.400 -0.084 0.000 2.479 506 D HA -0.041 4.597 4.640 -0.003 0.000 0.257 506 D C -1.245 175.033 176.300 -0.037 0.000 1.230 506 D CA -1.358 52.630 54.000 -0.021 0.000 0.912 506 D CB 1.272 42.107 40.800 0.059 0.000 1.130 506 D HN 0.054 nan 8.370 nan 0.000 0.515 507 P HA -0.152 nan 4.420 nan 0.000 0.220 507 P C 1.326 178.614 177.300 -0.020 0.000 1.148 507 P CA 0.723 63.796 63.100 -0.045 0.000 0.803 507 P CB 0.400 32.072 31.700 -0.047 0.000 0.782 508 R N 0.803 121.302 120.500 -0.002 0.000 2.066 508 R HA -0.109 4.229 4.340 -0.003 0.000 0.232 508 R C 1.710 178.021 176.300 0.019 0.000 1.131 508 R CA 1.980 58.087 56.100 0.012 0.000 0.955 508 R CB -1.224 29.092 30.300 0.026 0.000 0.851 508 R HN 0.033 nan 8.270 nan 0.000 0.432 509 D N 0.777 121.194 120.400 0.027 0.000 2.137 509 D HA -0.017 4.621 4.640 -0.003 0.000 0.202 509 D C -1.548 174.737 176.300 -0.025 0.000 0.970 509 D CA 0.848 54.865 54.000 0.028 0.000 0.837 509 D CB -1.239 39.597 40.800 0.059 0.000 0.981 509 D HN 0.287 nan 8.370 nan 0.000 0.475 510 P HA -0.202 nan 4.420 nan 0.000 0.039 510 P C 0.009 177.213 177.300 -0.161 0.000 0.533 510 P CA 0.707 63.753 63.100 -0.090 0.000 1.039 510 P CB -0.535 31.112 31.700 -0.090 0.000 1.802 511 R N 1.531 121.919 120.500 -0.187 0.000 2.719 511 R HA 0.387 4.725 4.340 -0.003 0.000 0.233 511 R C -0.234 175.842 176.300 -0.373 0.000 1.257 511 R CA -0.844 55.088 56.100 -0.280 0.000 1.109 511 R CB 0.844 31.001 30.300 -0.238 0.000 1.447 511 R HN 0.236 nan 8.270 nan 0.000 0.537 512 H N -0.737 118.257 119.070 -0.126 0.000 2.458 512 H HA 0.375 4.929 4.556 -0.003 0.000 0.330 512 H C -0.818 174.374 175.328 -0.226 0.000 1.111 512 H CA -0.469 55.496 56.048 -0.139 0.000 1.245 512 H CB 1.947 31.635 29.762 -0.123 0.000 1.456 512 H HN 0.164 nan 8.280 nan 0.000 0.488 513 V N 4.361 124.239 119.914 -0.060 0.000 2.628 513 V HA 0.395 4.514 4.120 -0.003 0.000 0.306 513 V C -1.234 174.794 176.094 -0.109 0.000 1.045 513 V CA -0.896 61.349 62.300 -0.091 0.000 0.905 513 V CB 1.619 33.401 31.823 -0.067 0.000 0.997 513 V HN 0.566 nan 8.190 nan 0.000 0.436 514 L N 7.882 129.034 121.223 -0.118 0.000 2.313 514 L HA 0.820 5.158 4.340 -0.003 0.000 0.283 514 L C -0.641 176.195 176.870 -0.057 0.000 1.013 514 L CA -0.130 54.631 54.840 -0.131 0.000 0.816 514 L CB 1.719 43.696 42.059 -0.137 0.000 1.236 514 L HN 0.645 nan 8.230 nan 0.000 0.419 515 V N 3.995 123.898 119.914 -0.019 0.000 2.656 515 V HA 0.841 4.959 4.120 -0.003 0.000 0.307 515 V C -0.501 175.618 176.094 0.041 0.000 1.051 515 V CA -0.642 61.660 62.300 0.003 0.000 0.893 515 V CB 1.539 33.362 31.823 0.001 0.000 0.999 515 V HN 1.023 nan 8.190 nan 0.000 0.426 516 M N 3.239 122.860 119.600 0.034 0.000 2.622 516 M HA 0.881 5.359 4.480 -0.003 0.000 0.276 516 M C -1.364 174.929 176.300 -0.012 0.000 1.265 516 M CA -0.748 54.590 55.300 0.063 0.000 0.850 516 M CB 2.836 35.471 32.600 0.059 0.000 1.720 516 M HN 0.861 nan 8.290 nan 0.000 0.465 517 K N 0.473 120.862 120.400 -0.018 0.000 2.556 517 K HA 1.011 5.329 4.320 -0.003 0.000 0.274 517 K C -0.840 175.733 176.600 -0.045 0.000 0.966 517 K CA -0.574 55.533 56.287 -0.301 0.000 0.865 517 K CB 2.391 34.522 32.500 -0.614 0.000 1.444 517 K HN 1.209 nan 8.250 nan 0.000 0.433 518 G N 0.033 108.762 108.800 -0.119 0.000 2.344 518 G HA2 0.429 4.387 3.960 -0.003 0.000 0.282 518 G HA3 0.429 4.387 3.960 -0.003 0.000 0.282 518 G C -1.452 173.497 174.900 0.082 0.000 1.281 518 G CA -0.566 44.625 45.100 0.151 0.000 0.877 518 G HN 0.825 nan 8.290 nan 0.000 0.494 519 A N 0.606 123.533 122.820 0.178 0.000 2.567 519 A HA 0.513 4.831 4.320 -0.003 0.000 0.240 519 A C -0.784 176.843 177.584 0.072 0.000 1.053 519 A CA 0.512 52.627 52.037 0.129 0.000 0.755 519 A CB 0.008 19.096 19.000 0.145 0.000 0.978 519 A HN 0.324 nan 8.150 nan 0.000 0.507 520 P HA -0.141 nan 4.420 nan 0.000 0.218 520 P C 1.252 178.557 177.300 0.009 0.000 1.148 520 P CA 1.401 64.519 63.100 0.031 0.000 0.822 520 P CB 0.335 31.922 31.700 -0.189 0.000 0.784 521 E N -0.634 119.508 120.200 -0.097 0.000 2.106 521 E HA -0.134 4.214 4.350 -0.003 0.000 0.192 521 E C 2.109 178.691 176.600 -0.029 0.000 0.984 521 E CA 1.008 57.377 56.400 -0.051 0.000 0.806 521 E CB -0.290 29.405 29.700 -0.008 0.000 0.750 521 E HN -0.048 nan 8.360 nan 0.000 0.458 522 R N -0.038 120.468 120.500 0.010 0.000 2.092 522 R HA -0.049 4.289 4.340 -0.003 0.000 0.231 522 R C 2.413 178.699 176.300 -0.023 0.000 1.119 522 R CA 1.023 57.132 56.100 0.014 0.000 0.970 522 R CB -1.115 29.231 30.300 0.077 0.000 0.864 522 R HN 0.228 nan 8.270 nan 0.000 0.440 523 V N 1.657 121.574 119.914 0.004 0.000 2.515 523 V HA -0.130 3.988 4.120 -0.003 0.000 0.250 523 V C 2.150 178.263 176.094 0.033 0.000 1.058 523 V CA 1.230 63.540 62.300 0.016 0.000 1.064 523 V CB -0.356 31.526 31.823 0.098 0.000 0.675 523 V HN 0.198 nan 8.190 nan 0.000 0.461 524 L N 0.110 121.291 121.223 -0.070 0.000 2.156 524 L HA -0.077 4.261 4.340 -0.003 0.000 0.208 524 L C 2.411 179.191 176.870 -0.150 0.000 1.095 524 L CA 2.068 56.763 54.840 -0.242 0.000 0.770 524 L CB -0.995 40.704 42.059 -0.599 0.000 0.914 524 L HN 0.491 nan 8.230 nan 0.000 0.439 525 E N -0.357 119.782 120.200 -0.102 0.000 2.153 525 E HA -0.198 4.150 4.350 -0.003 0.000 0.194 525 E C 1.852 178.412 176.600 -0.067 0.000 0.988 525 E CA 0.805 57.161 56.400 -0.074 0.000 0.811 525 E CB 0.026 29.695 29.700 -0.051 0.000 0.746 525 E HN 0.499 nan 8.360 nan 0.000 0.466 526 R N 0.288 120.744 120.500 -0.075 0.000 2.313 526 R HA 0.055 4.393 4.340 -0.003 0.000 0.199 526 R C 0.563 176.839 176.300 -0.039 0.000 0.958 526 R CA 0.205 56.257 56.100 -0.080 0.000 1.047 526 R CB -0.161 30.050 30.300 -0.148 0.000 0.955 526 R HN 0.218 nan 8.270 nan 0.000 0.481 527 C N -2.174 117.115 119.300 -0.018 0.000 2.456 527 C HA 0.581 5.039 4.460 -0.003 0.000 0.325 527 C C 1.445 176.435 174.990 0.002 0.000 1.217 527 C CA -0.931 58.098 59.018 0.019 0.000 1.687 527 C CB 2.160 29.965 27.740 0.107 0.000 2.270 527 C HN 0.058 nan 8.230 nan 0.000 0.499 528 S N 1.121 116.828 115.700 0.013 0.000 2.441 528 S HA 0.145 4.613 4.470 -0.003 0.000 0.224 528 S C 0.967 175.569 174.600 0.003 0.000 1.043 528 S CA 0.778 58.981 58.200 0.004 0.000 0.948 528 S CB -0.087 63.117 63.200 0.006 0.000 0.810 528 S HN 1.072 nan 8.310 nan 0.000 0.504 529 S N 0.146 115.860 115.700 0.023 0.000 2.704 529 S HA 0.793 5.261 4.470 -0.003 0.000 0.296 529 S C -1.037 173.600 174.600 0.062 0.000 1.138 529 S CA -0.904 57.304 58.200 0.013 0.000 0.875 529 S CB 1.397 64.599 63.200 0.002 0.000 1.151 529 S HN 0.185 nan 8.310 nan 0.000 0.500 530 I N 1.091 121.682 120.570 0.036 0.000 2.534 530 I HA 0.317 4.485 4.170 -0.003 0.000 0.288 530 I C -1.319 174.838 176.117 0.067 0.000 1.077 530 I CA -0.805 60.563 61.300 0.113 0.000 1.051 530 I CB 2.027 40.091 38.000 0.107 0.000 1.234 530 I HN 0.568 nan 8.210 nan 0.000 0.425 531 L N 7.631 128.917 121.223 0.105 0.000 2.454 531 L HA 0.321 4.659 4.340 -0.003 0.000 0.284 531 L C -0.433 176.487 176.870 0.083 0.000 1.139 531 L CA 0.347 55.224 54.840 0.062 0.000 0.911 531 L CB -0.034 42.051 42.059 0.044 0.000 1.262 531 L HN 0.425 nan 8.230 nan 0.000 0.453 532 I N 6.261 126.861 120.570 0.051 0.000 2.321 532 I HA 0.281 4.449 4.170 -0.003 0.000 0.291 532 I C 0.322 176.484 176.117 0.076 0.000 0.998 532 I CA -0.169 61.179 61.300 0.081 0.000 1.227 532 I CB 0.354 38.384 38.000 0.049 0.000 1.368 532 I HN 0.832 nan 8.210 nan 0.000 0.466 533 K N 4.192 124.661 120.400 0.114 0.000 1.705 533 K HA -0.243 4.075 4.320 -0.003 0.000 0.508 533 K C 0.933 177.571 176.600 0.063 0.000 1.840 533 K CA 1.423 57.767 56.287 0.095 0.000 0.816 533 K CB -1.368 31.175 32.500 0.071 0.000 1.348 533 K HN 0.760 nan 8.250 nan 0.000 0.681 534 G N 0.211 109.035 108.800 0.041 0.000 2.448 534 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.218 534 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.218 534 G C 0.580 175.485 174.900 0.008 0.000 1.135 534 G CA 1.161 46.274 45.100 0.021 0.000 0.784 534 G HN 0.515 nan 8.290 nan 0.000 0.543 535 Q N 0.261 120.064 119.800 0.004 0.000 2.226 535 Q HA 0.352 4.690 4.340 -0.003 0.000 0.256 535 Q C -0.536 175.453 176.000 -0.019 0.000 0.962 535 Q CA -0.562 55.233 55.803 -0.013 0.000 0.887 535 Q CB 1.285 30.011 28.738 -0.021 0.000 1.282 535 Q HN 0.341 nan 8.270 nan 0.000 0.449 536 E N 1.100 121.283 120.200 -0.029 0.000 2.371 536 E HA 0.394 4.743 4.350 -0.003 0.000 0.257 536 E C -0.963 175.599 176.600 -0.063 0.000 1.134 536 E CA -0.346 56.035 56.400 -0.032 0.000 0.919 536 E CB 0.954 30.639 29.700 -0.026 0.000 1.025 536 E HN 0.363 nan 8.360 nan 0.000 0.438 537 L N 1.006 122.176 121.223 -0.088 0.000 2.622 537 L HA 0.390 4.728 4.340 -0.003 0.000 0.258 537 L C -2.811 173.976 176.870 -0.138 0.000 0.996 537 L CA -1.909 52.846 54.840 -0.142 0.000 0.858 537 L CB 2.351 44.258 42.059 -0.252 0.000 1.449 537 L HN 0.289 nan 8.230 nan 0.000 0.411 538 P HA 0.125 nan 4.420 nan 0.000 0.272 538 P C -0.696 176.531 177.300 -0.122 0.000 1.223 538 P CA -0.024 63.016 63.100 -0.100 0.000 0.784 538 P CB 0.636 32.291 31.700 -0.075 0.000 0.923 539 L N 3.318 124.506 121.223 -0.059 0.000 2.389 539 L HA 0.133 4.471 4.340 -0.003 0.000 0.265 539 L C 0.388 177.272 176.870 0.023 0.000 1.167 539 L CA -0.631 54.194 54.840 -0.026 0.000 1.045 539 L CB -0.636 41.411 42.059 -0.020 0.000 1.351 539 L HN 0.380 nan 8.230 nan 0.000 0.419 540 D N 1.168 121.599 120.400 0.052 0.000 2.360 540 D HA -0.121 4.517 4.640 -0.003 0.000 0.242 540 D C 0.726 177.137 176.300 0.184 0.000 1.184 540 D CA -0.296 53.775 54.000 0.117 0.000 0.930 540 D CB 0.893 41.790 40.800 0.162 0.000 1.161 540 D HN 0.496 nan 8.370 nan 0.000 0.447 541 E N -0.282 119.999 120.200 0.135 0.000 2.204 541 E HA -0.286 4.062 4.350 -0.003 0.000 0.195 541 E C 1.760 178.448 176.600 0.146 0.000 0.990 541 E CA 0.883 57.349 56.400 0.110 0.000 0.821 541 E CB 0.080 29.822 29.700 0.071 0.000 0.750 541 E HN 0.625 nan 8.360 nan 0.000 0.477 542 Q N -0.178 119.754 119.800 0.220 0.000 2.050 542 Q HA -0.181 4.157 4.340 -0.003 0.000 0.202 542 Q C 1.879 177.967 176.000 0.146 0.000 0.980 542 Q CA 1.635 57.545 55.803 0.178 0.000 0.840 542 Q CB -0.201 28.693 28.738 0.261 0.000 0.898 542 Q HN 0.509 nan 8.270 nan 0.000 0.424 543 W N 0.501 121.845 121.300 0.073 0.000 2.436 543 W HA -0.050 4.607 4.660 -0.005 0.000 0.284 543 W C 2.164 178.737 176.519 0.091 0.000 1.225 543 W CA 0.584 58.002 57.345 0.121 0.000 1.271 543 W CB -0.029 29.512 29.460 0.135 0.000 1.114 543 W HN 0.293 nan 8.180 nan 0.000 0.559 544 R N 0.748 121.380 120.500 0.220 0.000 2.105 544 R HA -0.206 4.132 4.340 -0.003 0.000 0.239 544 R C 2.078 178.443 176.300 0.109 0.000 1.135 544 R CA 2.093 58.249 56.100 0.094 0.000 0.967 544 R CB -0.433 29.895 30.300 0.047 0.000 0.861 544 R HN 0.414 nan 8.270 nan 0.000 0.442 545 E N 0.175 120.413 120.200 0.063 0.000 2.112 545 E HA -0.049 4.299 4.350 -0.003 0.000 0.190 545 E C 1.947 178.505 176.600 -0.070 0.000 0.979 545 E CA 0.867 57.269 56.400 0.002 0.000 0.814 545 E CB -0.160 29.526 29.700 -0.024 0.000 0.762 545 E HN 0.247 nan 8.360 nan 0.000 0.460 546 A N 1.345 124.109 122.820 -0.094 0.000 1.933 546 A HA -0.136 4.182 4.320 -0.003 0.000 0.218 546 A C 2.024 179.385 177.584 -0.372 0.000 1.175 546 A CA 1.313 53.248 52.037 -0.169 0.000 0.628 546 A CB -0.912 18.003 19.000 -0.142 0.000 0.814 546 A HN 0.474 nan 8.150 nan 0.000 0.444 547 F N 0.442 120.078 119.950 -0.524 0.000 2.102 547 F HA -0.196 4.329 4.527 -0.004 0.000 0.298 547 F C 2.407 177.879 175.800 -0.546 0.000 1.105 547 F CA 2.136 59.596 58.000 -0.901 0.000 1.239 547 F CB -0.227 38.465 39.000 -0.514 0.000 0.991 547 F HN 0.171 nan 8.300 nan 0.000 0.474 548 Q N 0.378 120.043 119.800 -0.225 0.000 2.124 548 Q HA -0.172 4.166 4.340 -0.003 0.000 0.202 548 Q C 2.424 178.241 176.000 -0.304 0.000 0.977 548 Q CA 2.351 58.029 55.803 -0.209 0.000 0.850 548 Q CB -1.111 27.635 28.738 0.012 0.000 0.901 548 Q HN 0.674 nan 8.270 nan 0.000 0.429 549 T N -1.350 113.014 114.554 -0.316 0.000 2.737 549 T HA -0.025 4.323 4.350 -0.003 0.000 0.265 549 T C 2.015 176.480 174.700 -0.391 0.000 1.038 549 T CA 1.403 63.326 62.100 -0.294 0.000 1.144 549 T CB -0.338 68.383 68.868 -0.245 0.000 0.866 549 T HN 0.226 nan 8.240 nan 0.000 0.434 550 A N 0.572 123.028 122.820 -0.605 0.000 1.902 550 A HA -0.019 4.299 4.320 -0.003 0.000 0.217 550 A C 2.231 179.527 177.584 -0.481 0.000 1.181 550 A CA 1.700 53.353 52.037 -0.641 0.000 0.623 550 A CB -1.337 16.927 19.000 -1.227 0.000 0.818 550 A HN 0.623 nan 8.150 nan 0.000 0.443 551 Y N 0.675 120.528 120.300 -0.744 0.000 2.181 551 Y HA -0.166 4.381 4.550 -0.004 0.000 0.288 551 Y C 1.935 177.625 175.900 -0.351 0.000 1.146 551 Y CA 1.735 59.485 58.100 -0.583 0.000 1.164 551 Y CB -0.391 37.576 38.460 -0.823 0.000 0.982 551 Y HN 0.225 nan 8.280 nan 0.000 0.515 552 L N -1.232 119.743 121.223 -0.413 0.000 2.056 552 L HA -0.189 4.149 4.340 -0.003 0.000 0.207 552 L C 2.784 179.457 176.870 -0.328 0.000 1.078 552 L CA 1.541 56.148 54.840 -0.388 0.000 0.749 552 L CB -0.913 40.998 42.059 -0.246 0.000 0.901 552 L HN 0.205 nan 8.230 nan 0.000 0.433 553 S N 0.325 115.851 115.700 -0.291 0.000 2.345 553 S HA -0.125 4.343 4.470 -0.003 0.000 0.220 553 S C 2.030 176.481 174.600 -0.248 0.000 1.031 553 S CA 1.116 59.168 58.200 -0.248 0.000 0.996 553 S CB -0.214 62.841 63.200 -0.242 0.000 0.882 553 S HN 0.284 nan 8.310 nan 0.000 0.445 554 L N 0.891 121.960 121.223 -0.257 0.000 2.083 554 L HA -0.034 4.304 4.340 -0.003 0.000 0.209 554 L C 2.816 179.567 176.870 -0.197 0.000 1.083 554 L CA 1.221 55.935 54.840 -0.209 0.000 0.752 554 L CB -1.102 40.880 42.059 -0.128 0.000 0.899 554 L HN 0.505 nan 8.230 nan 0.000 0.433 555 G N -0.277 108.351 108.800 -0.288 0.000 2.422 555 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.218 555 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.218 555 G C 1.574 176.348 174.900 -0.210 0.000 1.146 555 G CA 0.734 45.657 45.100 -0.294 0.000 0.769 555 G HN 0.495 nan 8.290 nan 0.000 0.547 556 G N 0.785 109.463 108.800 -0.204 0.000 2.422 556 G HA2 -0.070 3.888 3.960 -0.003 0.000 0.218 556 G HA3 -0.070 3.888 3.960 -0.003 0.000 0.218 556 G C 1.592 176.417 174.900 -0.124 0.000 1.140 556 G CA 0.590 45.596 45.100 -0.157 0.000 0.775 556 G HN 0.352 nan 8.290 nan 0.000 0.545 557 L N 0.749 121.896 121.223 -0.127 0.000 2.450 557 L HA 0.199 4.537 4.340 -0.003 0.000 0.224 557 L C 2.198 179.032 176.870 -0.059 0.000 1.149 557 L CA 1.273 56.059 54.840 -0.090 0.000 0.816 557 L CB -0.381 41.623 42.059 -0.092 0.000 0.932 557 L HN 0.425 nan 8.230 nan 0.000 0.449 558 G N -1.011 107.745 108.800 -0.074 0.000 2.132 558 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.234 558 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.234 558 G C 0.151 175.029 174.900 -0.037 0.000 0.989 558 G CA -0.125 44.941 45.100 -0.058 0.000 0.676 558 G HN 0.399 nan 8.290 nan 0.000 0.522 559 E N -0.055 120.123 120.200 -0.036 0.000 2.214 559 E HA 0.553 4.901 4.350 -0.003 0.000 0.274 559 E C 0.461 177.056 176.600 -0.008 0.000 0.977 559 E CA -0.898 55.502 56.400 -0.001 0.000 0.827 559 E CB 1.199 30.920 29.700 0.035 0.000 1.130 559 E HN 0.313 nan 8.360 nan 0.000 0.394 560 R N 1.023 121.534 120.500 0.019 0.000 2.390 560 R HA 0.356 4.694 4.340 -0.003 0.000 0.291 560 R C -0.684 175.660 176.300 0.074 0.000 1.070 560 R CA -0.413 55.706 56.100 0.032 0.000 1.014 560 R CB 0.904 31.221 30.300 0.028 0.000 1.007 560 R HN 0.213 nan 8.270 nan 0.000 0.466 561 V N 4.900 124.884 119.914 0.116 0.000 2.680 561 V HA 0.490 4.608 4.120 -0.003 0.000 0.309 561 V C -0.206 176.014 176.094 0.210 0.000 1.052 561 V CA -0.821 61.598 62.300 0.197 0.000 0.908 561 V CB 1.915 33.913 31.823 0.292 0.000 1.001 561 V HN 0.560 nan 8.190 nan 0.000 0.431 562 L N 2.783 124.143 121.223 0.228 0.000 2.381 562 L HA 0.821 5.159 4.340 -0.003 0.000 0.268 562 L C 0.432 177.383 176.870 0.135 0.000 0.997 562 L CA -0.543 54.364 54.840 0.111 0.000 0.818 562 L CB 2.315 44.393 42.059 0.031 0.000 1.310 562 L HN 0.784 nan 8.230 nan 0.000 0.416 563 G N 0.990 109.746 108.800 -0.074 0.000 2.389 563 G HA2 0.726 4.684 3.960 -0.003 0.000 0.328 563 G HA3 0.726 4.684 3.960 -0.003 0.000 0.328 563 G C -1.446 173.159 174.900 -0.491 0.000 1.133 563 G CA -0.196 44.930 45.100 0.043 0.000 0.891 563 G HN 0.270 nan 8.290 nan 0.000 0.485 564 F N 0.075 119.881 119.950 -0.240 0.000 2.578 564 F HA 0.619 5.145 4.527 -0.001 0.000 0.311 564 F C 0.444 175.941 175.800 -0.505 0.000 1.094 564 F CA -0.735 57.096 58.000 -0.283 0.000 0.923 564 F CB 2.284 41.151 39.000 -0.221 0.000 1.230 564 F HN 0.786 nan 8.300 nan 0.000 0.450 565 C N 1.359 120.578 119.300 -0.134 0.000 3.285 565 C HA 0.896 5.354 4.460 -0.003 0.000 0.325 565 C C -1.291 173.663 174.990 -0.059 0.000 1.304 565 C CA -0.755 58.177 59.018 -0.142 0.000 1.319 565 C CB 1.480 29.160 27.740 -0.100 0.000 1.640 565 C HN 1.030 nan 8.230 nan 0.000 0.477 566 Q N 1.619 121.394 119.800 -0.042 0.000 2.615 566 Q HA 0.886 5.225 4.340 -0.003 0.000 0.298 566 Q C -1.985 174.014 176.000 -0.002 0.000 1.023 566 Q CA -0.982 54.803 55.803 -0.030 0.000 0.768 566 Q CB 2.508 31.216 28.738 -0.050 0.000 1.500 566 Q HN 1.020 nan 8.270 nan 0.000 0.441 567 L N 1.299 122.526 121.223 0.006 0.000 2.526 567 L HA 0.439 4.778 4.340 -0.003 0.000 0.263 567 L C -1.971 174.941 176.870 0.069 0.000 0.943 567 L CA -0.973 53.895 54.840 0.047 0.000 0.859 567 L CB 2.220 44.300 42.059 0.036 0.000 1.313 567 L HN 0.888 nan 8.230 nan 0.000 0.406 568 Y N 5.585 125.882 120.300 -0.006 0.000 2.556 568 Y HA 0.432 4.979 4.550 -0.004 0.000 0.352 568 Y C -0.695 175.221 175.900 0.028 0.000 1.006 568 Y CA -0.440 57.665 58.100 0.008 0.000 1.277 568 Y CB 0.390 38.859 38.460 0.015 0.000 1.136 568 Y HN 0.471 nan 8.280 nan 0.000 0.523 569 L N 4.417 125.577 121.223 -0.104 0.000 2.461 569 L HA 0.127 4.465 4.340 -0.003 0.000 0.272 569 L C 0.758 177.698 176.870 0.116 0.000 1.197 569 L CA 0.473 55.307 54.840 -0.011 0.000 0.836 569 L CB 0.459 42.396 42.059 -0.204 0.000 1.105 569 L HN 0.556 nan 8.230 nan 0.000 0.477 570 S N 1.421 117.290 115.700 0.282 0.000 2.488 570 S HA 0.029 4.497 4.470 -0.003 0.000 0.278 570 S C 1.198 175.970 174.600 0.287 0.000 1.259 570 S CA -0.428 57.943 58.200 0.285 0.000 1.061 570 S CB 0.318 63.646 63.200 0.213 0.000 0.910 570 S HN 0.752 nan 8.310 nan 0.000 0.491 571 E N 4.267 124.588 120.200 0.203 0.000 2.153 571 E HA -0.210 4.138 4.350 -0.003 0.000 0.194 571 E C 1.238 177.886 176.600 0.080 0.000 0.988 571 E CA 1.026 57.524 56.400 0.163 0.000 0.811 571 E CB -0.127 29.647 29.700 0.123 0.000 0.746 571 E HN 0.554 nan 8.360 nan 0.000 0.466 572 K N 0.741 121.161 120.400 0.034 0.000 2.032 572 K HA -0.148 4.170 4.320 -0.003 0.000 0.209 572 K C 1.817 178.314 176.600 -0.172 0.000 1.048 572 K CA 1.746 58.010 56.287 -0.038 0.000 0.927 572 K CB -0.077 32.406 32.500 -0.028 0.000 0.712 572 K HN 0.130 nan 8.250 nan 0.000 0.441 573 D N -0.583 119.620 120.400 -0.328 0.000 2.219 573 D HA -0.080 4.558 4.640 -0.003 0.000 0.205 573 D C -0.164 175.336 176.300 -1.334 0.000 0.970 573 D CA 1.149 54.675 54.000 -0.791 0.000 0.851 573 D CB 0.110 40.273 40.800 -1.061 0.000 0.943 573 D HN 0.183 nan 8.370 nan 0.000 0.488 574 Y N -0.250 119.808 120.300 -0.404 0.000 2.338 574 Y HA 0.375 4.923 4.550 -0.003 0.000 0.328 574 Y C -2.195 173.636 175.900 -0.114 0.000 0.965 574 Y CA -2.646 55.061 58.100 -0.655 0.000 1.208 574 Y CB 1.828 39.961 38.460 -0.545 0.000 1.132 574 Y HN -0.224 nan 8.280 nan 0.000 0.469 575 P HA 0.099 nan 4.420 nan 0.000 0.274 575 P C -1.727 175.770 177.300 0.327 0.000 1.256 575 P CA -1.374 61.844 63.100 0.197 0.000 0.795 575 P CB 0.652 32.452 31.700 0.166 0.000 1.038 576 P HA -0.189 nan 4.420 nan 0.000 0.216 576 P C 1.426 178.895 177.300 0.281 0.000 1.153 576 P CA 2.154 65.391 63.100 0.229 0.000 0.858 576 P CB -0.590 31.176 31.700 0.110 0.000 0.789 577 G N -1.443 107.479 108.800 0.203 0.000 2.403 577 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.216 577 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.216 577 G C 0.322 175.319 174.900 0.162 0.000 1.154 577 G CA -0.149 45.044 45.100 0.155 0.000 0.784 577 G HN 0.235 nan 8.290 nan 0.000 0.538 578 Y N 1.830 122.145 120.300 0.026 0.000 3.078 578 Y HA -0.010 4.539 4.550 -0.003 0.000 0.381 578 Y C 0.716 176.468 175.900 -0.247 0.000 1.155 578 Y CA -0.492 57.524 58.100 -0.139 0.000 1.574 578 Y CB 0.148 38.484 38.460 -0.207 0.000 1.034 578 Y HN 0.365 nan 8.280 nan 0.000 0.579 579 A N 6.846 129.104 122.820 -0.937 0.000 2.304 579 A HA 0.655 4.973 4.320 -0.003 0.000 0.301 579 A C -1.165 175.892 177.584 -0.879 0.000 1.132 579 A CA -0.459 51.211 52.037 -0.613 0.000 0.819 579 A CB 0.314 19.088 19.000 -0.377 0.000 1.094 579 A HN 0.634 nan 8.150 nan 0.000 0.492 580 F N 0.028 119.901 119.950 -0.128 0.000 2.579 580 F HA 0.475 5.001 4.527 -0.003 0.000 0.324 580 F C -0.034 175.841 175.800 0.124 0.000 1.058 580 F CA -0.408 57.640 58.000 0.081 0.000 0.944 580 F CB 2.234 41.240 39.000 0.011 0.000 1.245 580 F HN 0.502 nan 8.300 nan 0.000 0.477 581 D N 1.115 121.804 120.400 0.482 0.000 2.462 581 D HA 0.323 4.961 4.640 -0.003 0.000 0.245 581 D C 0.418 176.911 176.300 0.322 0.000 1.122 581 D CA -0.178 53.986 54.000 0.273 0.000 0.864 581 D CB 1.775 42.653 40.800 0.129 0.000 1.098 581 D HN 0.242 nan 8.370 nan 0.000 0.541 582 V N 3.707 123.771 119.914 0.251 0.000 2.626 582 V HA -0.143 3.975 4.120 -0.003 0.000 0.252 582 V C 2.027 178.181 176.094 0.100 0.000 1.067 582 V CA 1.478 63.901 62.300 0.204 0.000 1.081 582 V CB -0.333 31.567 31.823 0.127 0.000 0.686 582 V HN 0.557 nan 8.190 nan 0.000 0.468 583 E N 0.596 120.836 120.200 0.067 0.000 2.047 583 E HA 0.080 4.428 4.350 -0.003 0.000 0.191 583 E C 0.907 177.508 176.600 0.002 0.000 0.987 583 E CA 1.171 57.586 56.400 0.024 0.000 0.799 583 E CB -0.031 29.681 29.700 0.019 0.000 0.752 583 E HN 0.597 nan 8.360 nan 0.000 0.449 584 A N 0.495 123.312 122.820 -0.005 0.000 2.386 584 A HA 0.490 4.808 4.320 -0.003 0.000 0.311 584 A C -0.603 176.915 177.584 -0.109 0.000 1.068 584 A CA -0.665 51.346 52.037 -0.044 0.000 0.743 584 A CB 0.912 19.894 19.000 -0.030 0.000 1.258 584 A HN 0.036 nan 8.150 nan 0.000 0.429 585 M N 2.930 122.412 119.600 -0.196 0.000 2.720 585 M HA -0.021 4.457 4.480 -0.003 0.000 0.328 585 M C 1.045 177.143 176.300 -0.337 0.000 1.682 585 M CA -0.098 54.935 55.300 -0.445 0.000 1.381 585 M CB -0.294 32.096 32.600 -0.350 0.000 1.868 585 M HN 0.804 nan 8.290 nan 0.000 0.459 586 N N 2.920 121.442 118.700 -0.296 0.000 2.457 586 N HA 0.015 4.753 4.740 -0.003 0.000 0.180 586 N C -0.597 175.095 175.510 0.304 0.000 1.050 586 N CA 0.604 53.724 53.050 0.116 0.000 0.906 586 N CB 0.275 38.989 38.487 0.378 0.000 0.968 586 N HN 0.516 nan 8.380 nan 0.000 0.445 587 F N -1.520 118.598 119.950 0.280 0.000 2.643 587 F HA 0.673 5.199 4.527 -0.003 0.000 0.314 587 F C -2.640 173.257 175.800 0.162 0.000 1.096 587 F CA -2.756 55.416 58.000 0.288 0.000 0.953 587 F CB 0.018 39.196 39.000 0.296 0.000 1.345 587 F HN -0.247 nan 8.300 nan 0.000 0.468 588 P HA 0.111 nan 4.420 nan 0.000 0.267 588 P C 0.371 177.765 177.300 0.157 0.000 1.209 588 P CA -0.004 63.197 63.100 0.169 0.000 0.763 588 P CB 1.199 33.001 31.700 0.170 0.000 0.816 589 T N -1.029 113.547 114.554 0.037 0.000 3.044 589 T HA 0.153 4.502 4.350 -0.003 0.000 0.250 589 T C 0.721 175.383 174.700 -0.063 0.000 1.081 589 T CA 0.135 62.223 62.100 -0.020 0.000 1.040 589 T CB 0.014 68.843 68.868 -0.065 0.000 0.962 589 T HN 0.300 nan 8.240 nan 0.000 0.506 590 S N -0.151 115.535 115.700 -0.023 0.000 2.677 590 S HA 0.649 5.117 4.470 -0.003 0.000 0.304 590 S C 0.557 175.155 174.600 -0.004 0.000 1.108 590 S CA -0.235 57.946 58.200 -0.032 0.000 0.944 590 S CB 1.333 64.516 63.200 -0.028 0.000 1.127 590 S HN 0.898 nan 8.310 nan 0.000 0.511 591 G N 1.118 109.913 108.800 -0.008 0.000 2.353 591 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.294 591 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.294 591 G C -0.491 174.421 174.900 0.019 0.000 1.077 591 G CA 0.031 45.136 45.100 0.007 0.000 1.098 591 G HN 0.433 nan 8.290 nan 0.000 0.511 592 L N -0.455 120.778 121.223 0.016 0.000 2.304 592 L HA 0.766 5.104 4.340 -0.003 0.000 0.268 592 L C 0.900 177.798 176.870 0.047 0.000 1.010 592 L CA -1.007 53.849 54.840 0.025 0.000 0.813 592 L CB 1.962 44.022 42.059 0.002 0.000 1.315 592 L HN 0.257 nan 8.230 nan 0.000 0.445 593 S N 0.596 116.326 115.700 0.050 0.000 2.430 593 S HA 0.311 4.779 4.470 -0.003 0.000 0.289 593 S C -0.650 174.010 174.600 0.101 0.000 1.143 593 S CA -0.544 57.701 58.200 0.074 0.000 1.067 593 S CB -0.059 63.171 63.200 0.050 0.000 0.964 593 S HN 0.331 nan 8.310 nan 0.000 0.485 594 F N 5.608 125.575 119.950 0.028 0.000 2.471 594 F HA 0.494 5.019 4.527 -0.004 0.000 0.365 594 F C 0.888 176.755 175.800 0.111 0.000 1.095 594 F CA -0.232 57.809 58.000 0.068 0.000 1.174 594 F CB 0.535 39.572 39.000 0.061 0.000 1.105 594 F HN 0.725 nan 8.300 nan 0.000 0.535 595 A N 4.264 126.926 122.820 -0.265 0.000 1.887 595 A HA 0.592 4.910 4.320 -0.003 0.000 0.212 595 A C 1.057 178.658 177.584 0.029 0.000 1.198 595 A CA 0.999 52.981 52.037 -0.092 0.000 0.628 595 A CB -0.800 18.115 19.000 -0.141 0.000 0.847 595 A HN 1.106 nan 8.150 nan 0.000 0.449 596 G N -2.359 106.318 108.800 -0.205 0.000 2.320 596 G HA2 0.469 4.428 3.960 -0.003 0.000 0.296 596 G HA3 0.469 4.428 3.960 -0.003 0.000 0.296 596 G C -1.703 173.506 174.900 0.515 0.000 1.306 596 G CA -0.727 44.615 45.100 0.402 0.000 0.836 596 G HN 0.359 nan 8.290 nan 0.000 0.517 597 L N -0.309 121.364 121.223 0.750 0.000 2.354 597 L HA 0.859 5.197 4.340 -0.003 0.000 0.269 597 L C -0.636 176.524 176.870 0.483 0.000 1.005 597 L CA -1.290 53.966 54.840 0.693 0.000 0.819 597 L CB 2.164 44.641 42.059 0.695 0.000 1.311 597 L HN 0.505 nan 8.230 nan 0.000 0.423 598 V N 1.430 121.602 119.914 0.431 0.000 2.709 598 V HA 0.658 4.776 4.120 -0.003 0.000 0.308 598 V C -0.143 176.084 176.094 0.221 0.000 1.062 598 V CA -0.059 62.377 62.300 0.226 0.000 0.901 598 V CB 2.290 34.147 31.823 0.056 0.000 1.003 598 V HN 0.983 nan 8.190 nan 0.000 0.425 599 S N 7.703 123.487 115.700 0.141 0.000 2.721 599 S HA 0.802 5.270 4.470 -0.003 0.000 0.296 599 S C -0.440 174.205 174.600 0.074 0.000 1.093 599 S CA -0.941 57.334 58.200 0.125 0.000 0.959 599 S CB 1.765 65.050 63.200 0.140 0.000 1.301 599 S HN 0.611 nan 8.310 nan 0.000 0.550 600 M N 0.242 119.887 119.600 0.075 0.000 2.788 600 M HA 0.725 5.203 4.480 -0.003 0.000 0.291 600 M C -0.860 175.475 176.300 0.057 0.000 1.213 600 M CA -0.886 54.445 55.300 0.051 0.000 0.768 600 M CB 1.196 33.822 32.600 0.043 0.000 1.766 600 M HN 0.771 nan 8.290 nan 0.000 0.460 601 I N 0.249 120.843 120.570 0.039 0.000 2.243 601 I HA 0.142 4.310 4.170 -0.003 0.000 0.316 601 I C -2.140 173.992 176.117 0.026 0.000 2.421 601 I CA -0.459 60.862 61.300 0.036 0.000 0.924 601 I CB 1.991 40.004 38.000 0.022 0.000 1.786 601 I HN 0.799 nan 8.210 nan 0.000 0.677 602 D N 5.990 126.403 120.400 0.022 0.000 2.738 602 D HA 0.843 5.481 4.640 -0.003 0.000 0.237 602 D C -2.917 173.388 176.300 0.009 0.000 1.123 602 D CA -1.162 52.848 54.000 0.017 0.000 0.856 602 D CB 3.192 44.001 40.800 0.016 0.000 1.552 602 D HN 0.220 nan 8.370 nan 0.000 0.480 603 P HA 0.556 nan 4.420 nan 0.000 0.307 603 P C -2.959 174.336 177.300 -0.009 0.000 1.385 603 P CA -1.813 61.286 63.100 -0.000 0.000 1.108 603 P CB 2.267 33.970 31.700 0.006 0.000 1.505 604 P HA 0.414 nan 4.420 nan 0.000 0.289 604 P C 0.152 177.434 177.300 -0.031 0.000 1.300 604 P CA -0.805 62.272 63.100 -0.038 0.000 0.828 604 P CB 0.793 32.454 31.700 -0.065 0.000 1.235 605 R N -0.312 120.164 120.500 -0.040 0.000 3.026 605 R HA 0.081 4.419 4.340 -0.003 0.000 0.284 605 R C 1.171 177.464 176.300 -0.012 0.000 1.013 605 R CA 0.513 56.602 56.100 -0.018 0.000 1.188 605 R CB -0.616 29.678 30.300 -0.010 0.000 1.151 605 R HN 0.499 nan 8.270 nan 0.000 0.514 606 A N 0.226 123.050 122.820 0.007 0.000 1.887 606 A HA -0.099 4.219 4.320 -0.003 0.000 0.212 606 A C 2.141 179.736 177.584 0.018 0.000 1.198 606 A CA 1.346 53.389 52.037 0.011 0.000 0.628 606 A CB -0.686 18.323 19.000 0.016 0.000 0.847 606 A HN 0.856 nan 8.150 nan 0.000 0.449 607 T N -2.445 112.132 114.554 0.038 0.000 3.035 607 T HA -0.021 4.327 4.350 -0.003 0.000 0.268 607 T C 1.644 176.389 174.700 0.075 0.000 1.109 607 T CA 1.172 63.310 62.100 0.063 0.000 1.119 607 T CB -0.482 68.442 68.868 0.093 0.000 0.900 607 T HN 0.008 nan 8.240 nan 0.000 0.503 608 V N 2.846 122.773 119.914 0.021 0.000 2.287 608 V HA -0.079 4.039 4.120 -0.003 0.000 0.248 608 V C -0.076 175.989 176.094 -0.047 0.000 1.053 608 V CA 1.874 64.129 62.300 -0.076 0.000 1.027 608 V CB -1.480 30.183 31.823 -0.266 0.000 0.646 608 V HN 0.392 nan 8.190 nan 0.000 0.447 609 P HA -0.150 nan 4.420 nan 0.000 0.216 609 P C 1.479 178.789 177.300 0.017 0.000 1.150 609 P CA 1.618 64.707 63.100 -0.018 0.000 0.837 609 P CB -0.031 31.660 31.700 -0.016 0.000 0.786 610 D N -0.598 119.822 120.400 0.034 0.000 2.117 610 D HA -0.107 4.531 4.640 -0.003 0.000 0.198 610 D C 1.833 178.177 176.300 0.073 0.000 0.982 610 D CA 1.327 55.355 54.000 0.046 0.000 0.828 610 D CB -0.218 40.608 40.800 0.044 0.000 0.967 610 D HN -0.045 nan 8.370 nan 0.000 0.464 611 A N 0.466 123.358 122.820 0.121 0.000 1.902 611 A HA -0.122 4.197 4.320 -0.003 0.000 0.217 611 A C 2.616 180.313 177.584 0.187 0.000 1.181 611 A CA 1.487 53.639 52.037 0.192 0.000 0.623 611 A CB -0.752 18.508 19.000 0.434 0.000 0.818 611 A HN 0.214 nan 8.150 nan 0.000 0.443 612 V N 0.285 120.289 119.914 0.150 0.000 2.343 612 V HA -0.208 3.910 4.120 -0.003 0.000 0.247 612 V C 2.475 178.612 176.094 0.072 0.000 1.051 612 V CA 1.691 64.057 62.300 0.111 0.000 1.036 612 V CB -0.751 31.096 31.823 0.039 0.000 0.654 612 V HN 0.637 nan 8.190 nan 0.000 0.451 613 L N 0.467 121.722 121.223 0.053 0.000 2.046 613 L HA -0.180 4.158 4.340 -0.003 0.000 0.208 613 L C 2.410 179.303 176.870 0.038 0.000 1.077 613 L CA 2.144 57.006 54.840 0.038 0.000 0.747 613 L CB -0.858 41.219 42.059 0.031 0.000 0.896 613 L HN 0.354 nan 8.230 nan 0.000 0.432 614 K N -0.912 119.516 120.400 0.046 0.000 2.057 614 K HA -0.162 4.156 4.320 -0.003 0.000 0.207 614 K C 2.140 178.758 176.600 0.030 0.000 1.049 614 K CA 1.657 57.966 56.287 0.036 0.000 0.931 614 K CB -0.267 32.255 32.500 0.037 0.000 0.714 614 K HN 0.413 nan 8.250 nan 0.000 0.440 615 C N 0.657 119.982 119.300 0.043 0.000 2.425 615 C HA -0.045 4.413 4.460 -0.003 0.000 0.277 615 C C 2.533 177.536 174.990 0.020 0.000 1.280 615 C CA 0.559 59.596 59.018 0.032 0.000 1.744 615 C CB -0.784 26.989 27.740 0.056 0.000 1.989 615 C HN 0.425 nan 8.230 nan 0.000 0.491 616 R N -0.131 120.384 120.500 0.025 0.000 2.096 616 R HA -0.139 4.199 4.340 -0.003 0.000 0.235 616 R C 2.376 178.676 176.300 -0.000 0.000 1.127 616 R CA 1.774 57.883 56.100 0.014 0.000 0.968 616 R CB -0.731 29.580 30.300 0.018 0.000 0.861 616 R HN 0.510 nan 8.270 nan 0.000 0.440 617 T N 0.207 114.762 114.554 0.002 0.000 2.867 617 T HA -0.061 4.287 4.350 -0.003 0.000 0.268 617 T C 1.767 176.447 174.700 -0.034 0.000 1.057 617 T CA 1.186 63.279 62.100 -0.011 0.000 1.136 617 T CB -0.101 68.771 68.868 0.006 0.000 0.874 617 T HN 0.369 nan 8.240 nan 0.000 0.466 618 A N 0.018 122.825 122.820 -0.022 0.000 2.125 618 A HA 0.355 4.673 4.320 -0.003 0.000 0.219 618 A C 1.894 179.453 177.584 -0.043 0.000 1.156 618 A CA 1.386 53.404 52.037 -0.031 0.000 0.671 618 A CB -1.030 17.959 19.000 -0.018 0.000 0.794 618 A HN 1.222 nan 8.150 nan 0.000 0.459 619 G N -1.530 107.249 108.800 -0.036 0.000 2.142 619 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.225 619 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.225 619 G C -0.047 174.840 174.900 -0.021 0.000 1.015 619 G CA 0.173 45.251 45.100 -0.036 0.000 0.716 619 G HN 0.477 nan 8.290 nan 0.000 0.508 620 I N 0.197 120.762 120.570 -0.009 0.000 2.392 620 I HA 0.452 4.620 4.170 -0.003 0.000 0.295 620 I C 0.888 177.013 176.117 0.013 0.000 0.985 620 I CA -0.966 60.334 61.300 -0.000 0.000 1.221 620 I CB 1.346 39.348 38.000 0.002 0.000 1.366 620 I HN -0.010 nan 8.210 nan 0.000 0.467 621 R N 4.345 124.856 120.500 0.018 0.000 2.308 621 R HA 0.510 4.848 4.340 -0.003 0.000 0.305 621 R C -1.077 175.248 176.300 0.041 0.000 1.053 621 R CA -0.477 55.641 56.100 0.030 0.000 0.957 621 R CB 1.330 31.651 30.300 0.035 0.000 1.022 621 R HN 0.351 nan 8.270 nan 0.000 0.461 622 V N 5.895 125.838 119.914 0.048 0.000 2.384 622 V HA 0.415 4.533 4.120 -0.003 0.000 0.287 622 V C -0.011 176.120 176.094 0.061 0.000 1.020 622 V CA -0.582 61.754 62.300 0.059 0.000 0.850 622 V CB 1.496 33.356 31.823 0.061 0.000 0.987 622 V HN 0.628 nan 8.190 nan 0.000 0.436 623 I N 5.096 125.710 120.570 0.073 0.000 2.436 623 I HA 0.450 4.619 4.170 -0.003 0.000 0.289 623 I C -0.051 176.121 176.117 0.091 0.000 1.010 623 I CA -0.405 60.954 61.300 0.099 0.000 1.098 623 I CB 1.872 39.954 38.000 0.137 0.000 1.266 623 I HN 0.583 nan 8.210 nan 0.000 0.434 624 M N 6.924 126.577 119.600 0.088 0.000 2.211 624 M HA 0.459 4.937 4.480 -0.003 0.000 0.356 624 M C -1.405 174.964 176.300 0.116 0.000 1.216 624 M CA -0.093 55.247 55.300 0.066 0.000 1.134 624 M CB 0.938 33.556 32.600 0.031 0.000 1.564 624 M HN 0.375 nan 8.290 nan 0.000 0.463 625 V N 4.211 124.166 119.914 0.069 0.000 2.462 625 V HA 0.428 4.546 4.120 -0.003 0.000 0.288 625 V C -0.437 175.673 176.094 0.026 0.000 1.020 625 V CA -0.547 61.793 62.300 0.067 0.000 0.857 625 V CB 1.491 33.307 31.823 -0.010 0.000 1.013 625 V HN 0.946 nan 8.190 nan 0.000 0.431 626 T N 2.597 117.169 114.554 0.030 0.000 2.906 626 T HA 0.581 4.929 4.350 -0.003 0.000 0.295 626 T C 1.138 175.819 174.700 -0.032 0.000 1.061 626 T CA 0.425 62.520 62.100 -0.009 0.000 1.000 626 T CB 1.976 70.834 68.868 -0.015 0.000 1.103 626 T HN 0.695 nan 8.240 nan 0.000 0.486 627 G N 1.937 110.701 108.800 -0.061 0.000 2.484 627 G HA2 0.048 4.006 3.960 -0.003 0.000 0.218 627 G HA3 0.048 4.006 3.960 -0.003 0.000 0.218 627 G C 0.554 175.362 174.900 -0.153 0.000 1.130 627 G CA 0.150 45.191 45.100 -0.098 0.000 0.784 627 G HN 0.694 nan 8.290 nan 0.000 0.543 628 D N -0.170 120.157 120.400 -0.122 0.000 2.384 628 D HA 0.081 4.719 4.640 -0.003 0.000 0.244 628 D C 0.239 176.428 176.300 -0.184 0.000 1.251 628 D CA -0.435 53.478 54.000 -0.145 0.000 0.961 628 D CB 0.318 41.089 40.800 -0.049 0.000 1.116 628 D HN 0.127 nan 8.370 nan 0.000 0.484 629 H N 0.765 119.822 119.070 -0.022 0.000 2.629 629 H HA 0.095 4.650 4.556 -0.003 0.000 0.357 629 H C -1.346 173.963 175.328 -0.032 0.000 1.121 629 H CA -1.236 54.795 56.048 -0.028 0.000 1.406 629 H CB 0.997 30.742 29.762 -0.029 0.000 1.456 629 H HN 0.345 nan 8.280 nan 0.000 0.579 630 P HA -0.170 nan 4.420 nan 0.000 0.216 630 P C 1.701 179.007 177.300 0.011 0.000 1.150 630 P CA 0.888 64.003 63.100 0.024 0.000 0.837 630 P CB 0.348 32.050 31.700 0.003 0.000 0.786 631 I N 0.067 120.648 120.570 0.019 0.000 2.179 631 I HA -0.183 3.985 4.170 -0.003 0.000 0.242 631 I C 1.982 178.098 176.117 -0.002 0.000 1.088 631 I CA 1.989 63.284 61.300 -0.009 0.000 1.357 631 I CB -1.176 36.809 38.000 -0.026 0.000 1.051 631 I HN -0.109 nan 8.210 nan 0.000 0.409 632 T N 0.859 115.426 114.554 0.021 0.000 2.777 632 T HA -0.091 4.257 4.350 -0.003 0.000 0.266 632 T C 1.972 176.674 174.700 0.003 0.000 1.040 632 T CA 1.366 63.476 62.100 0.017 0.000 1.141 632 T CB -0.619 68.269 68.868 0.035 0.000 0.868 632 T HN 0.492 nan 8.240 nan 0.000 0.444 633 A N 1.688 124.510 122.820 0.003 0.000 1.883 633 A HA -0.139 4.179 4.320 -0.003 0.000 0.217 633 A C 2.224 179.796 177.584 -0.021 0.000 1.186 633 A CA 2.024 54.054 52.037 -0.011 0.000 0.624 633 A CB -0.571 18.421 19.000 -0.014 0.000 0.822 633 A HN 0.466 nan 8.150 nan 0.000 0.444 634 K N -0.453 119.931 120.400 -0.026 0.000 2.147 634 K HA -0.060 4.258 4.320 -0.003 0.000 0.205 634 K C 2.108 178.691 176.600 -0.029 0.000 1.049 634 K CA 1.115 57.381 56.287 -0.035 0.000 0.936 634 K CB -0.302 32.172 32.500 -0.044 0.000 0.722 634 K HN 0.392 nan 8.250 nan 0.000 0.446 635 A N 1.137 123.944 122.820 -0.022 0.000 1.877 635 A HA -0.135 4.183 4.320 -0.003 0.000 0.216 635 A C 2.040 179.614 177.584 -0.016 0.000 1.186 635 A CA 1.449 53.477 52.037 -0.016 0.000 0.620 635 A CB -0.518 18.477 19.000 -0.007 0.000 0.822 635 A HN 0.326 nan 8.150 nan 0.000 0.443 636 I N -0.327 120.231 120.570 -0.019 0.000 2.315 636 I HA -0.228 3.940 4.170 -0.003 0.000 0.248 636 I C 2.936 179.033 176.117 -0.033 0.000 1.117 636 I CA 0.813 62.096 61.300 -0.027 0.000 1.404 636 I CB -0.325 37.655 38.000 -0.033 0.000 1.071 636 I HN 0.357 nan 8.210 nan 0.000 0.419 637 A N 0.991 123.792 122.820 -0.031 0.000 1.883 637 A HA -0.227 4.091 4.320 -0.003 0.000 0.217 637 A C 2.558 180.126 177.584 -0.027 0.000 1.186 637 A CA 2.083 54.101 52.037 -0.031 0.000 0.624 637 A CB -0.858 18.123 19.000 -0.032 0.000 0.822 637 A HN 0.431 nan 8.150 nan 0.000 0.444 638 A N -0.742 122.063 122.820 -0.025 0.000 1.902 638 A HA -0.046 4.272 4.320 -0.003 0.000 0.217 638 A C 2.445 180.018 177.584 -0.017 0.000 1.181 638 A CA 2.036 54.062 52.037 -0.020 0.000 0.623 638 A CB -0.830 18.159 19.000 -0.018 0.000 0.818 638 A HN 0.463 nan 8.150 nan 0.000 0.443 639 S N -0.369 115.319 115.700 -0.019 0.000 2.368 639 S HA -0.149 4.320 4.470 -0.003 0.000 0.225 639 S C 1.976 176.561 174.600 -0.024 0.000 1.030 639 S CA 1.705 59.894 58.200 -0.017 0.000 0.999 639 S CB -0.654 62.535 63.200 -0.018 0.000 0.844 639 S HN 0.862 nan 8.310 nan 0.000 0.459 640 V N -1.229 118.663 119.914 -0.037 0.000 2.871 640 V HA 0.431 4.549 4.120 -0.003 0.000 0.256 640 V C 1.546 177.623 176.094 -0.029 0.000 1.082 640 V CA 1.105 63.376 62.300 -0.049 0.000 1.105 640 V CB -1.004 30.768 31.823 -0.085 0.000 0.713 640 V HN 0.581 nan 8.190 nan 0.000 0.473 641 G N 0.135 108.924 108.800 -0.019 0.000 2.184 641 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.206 641 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.206 641 G C 0.592 175.489 174.900 -0.005 0.000 0.995 641 G CA 0.276 45.371 45.100 -0.008 0.000 0.651 641 G HN 0.480 nan 8.290 nan 0.000 0.511 642 I N 0.553 121.116 120.570 -0.011 0.000 2.264 642 I HA -0.019 4.149 4.170 -0.003 0.000 0.248 642 I C 0.904 177.019 176.117 -0.004 0.000 1.111 642 I CA 1.070 62.368 61.300 -0.003 0.000 1.382 642 I CB -0.127 37.868 38.000 -0.007 0.000 1.060 642 I HN 0.100 nan 8.210 nan 0.000 0.418 643 I N 0.450 121.013 120.570 -0.012 0.000 2.339 643 I HA 0.168 4.336 4.170 -0.003 0.000 0.290 643 I C 0.373 176.484 176.117 -0.010 0.000 0.994 643 I CA 0.107 61.399 61.300 -0.015 0.000 1.191 643 I CB 1.241 39.226 38.000 -0.025 0.000 1.343 643 I HN -0.053 nan 8.210 nan 0.000 0.458 644 S N 5.275 120.972 115.700 -0.005 0.000 2.652 644 S HA 0.286 4.754 4.470 -0.003 0.000 0.270 644 S C 0.112 174.709 174.600 -0.005 0.000 1.243 644 S CA -0.519 57.680 58.200 -0.002 0.000 0.999 644 S CB 0.843 64.045 63.200 0.003 0.000 0.973 644 S HN 0.538 nan 8.310 nan 0.000 0.544 645 E N 0.546 120.744 120.200 -0.003 0.000 2.384 645 E HA 0.364 4.712 4.350 -0.003 0.000 0.266 645 E C 1.085 177.683 176.600 -0.005 0.000 1.012 645 E CA 0.726 57.123 56.400 -0.005 0.000 0.901 645 E CB 0.423 30.121 29.700 -0.003 0.000 0.967 645 E HN 0.970 nan 8.360 nan 0.000 0.435 646 G N 2.556 111.352 108.800 -0.007 0.000 2.241 646 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.244 646 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.244 646 G C 0.521 175.417 174.900 -0.006 0.000 0.998 646 G CA 0.282 45.378 45.100 -0.007 0.000 0.621 646 G HN 0.567 nan 8.290 nan 0.000 0.519 647 S N 0.502 116.198 115.700 -0.006 0.000 2.593 647 S HA 0.596 5.064 4.470 -0.003 0.000 0.269 647 S C 0.044 174.637 174.600 -0.011 0.000 1.334 647 S CA 0.579 58.777 58.200 -0.004 0.000 1.015 647 S CB 0.878 64.077 63.200 -0.003 0.000 0.912 647 S HN 0.456 nan 8.310 nan 0.000 0.541 648 E N 0.554 120.749 120.200 -0.007 0.000 2.366 648 E HA 0.317 4.665 4.350 -0.003 0.000 0.278 648 E C -1.142 175.446 176.600 -0.020 0.000 0.923 648 E CA -0.731 55.659 56.400 -0.016 0.000 0.761 648 E CB 2.044 31.737 29.700 -0.011 0.000 1.231 648 E HN 0.587 nan 8.360 nan 0.000 0.443 649 T N 0.023 114.552 114.554 -0.041 0.000 2.927 649 T HA 0.137 4.485 4.350 -0.003 0.000 0.281 649 T C 0.974 175.654 174.700 -0.033 0.000 0.998 649 T CA -0.414 61.651 62.100 -0.058 0.000 1.019 649 T CB 1.598 70.412 68.868 -0.090 0.000 1.061 649 T HN 0.278 nan 8.240 nan 0.000 0.518 650 V N 2.530 122.428 119.914 -0.026 0.000 2.407 650 V HA -0.096 4.022 4.120 -0.003 0.000 0.248 650 V C 2.541 178.622 176.094 -0.022 0.000 1.055 650 V CA 2.637 64.930 62.300 -0.011 0.000 1.049 650 V CB -0.752 31.070 31.823 -0.002 0.000 0.662 650 V HN 0.960 nan 8.190 nan 0.000 0.455 651 E N 1.315 121.494 120.200 -0.035 0.000 2.110 651 E HA -0.276 4.072 4.350 -0.003 0.000 0.193 651 E C 1.744 178.323 176.600 -0.034 0.000 0.988 651 E CA 1.812 58.191 56.400 -0.035 0.000 0.804 651 E CB -0.860 28.814 29.700 -0.043 0.000 0.745 651 E HN 0.880 nan 8.360 nan 0.000 0.458 652 D N 1.535 121.913 120.400 -0.037 0.000 2.144 652 D HA -0.142 4.496 4.640 -0.003 0.000 0.200 652 D C 2.203 178.486 176.300 -0.028 0.000 0.978 652 D CA 0.906 54.885 54.000 -0.035 0.000 0.833 652 D CB -0.623 40.155 40.800 -0.037 0.000 0.961 652 D HN 0.348 nan 8.370 nan 0.000 0.470 653 I N 0.878 121.435 120.570 -0.022 0.000 2.179 653 I HA -0.214 3.954 4.170 -0.003 0.000 0.242 653 I C 2.642 178.749 176.117 -0.018 0.000 1.088 653 I CA 1.237 62.527 61.300 -0.017 0.000 1.357 653 I CB -0.435 37.559 38.000 -0.011 0.000 1.051 653 I HN 0.101 nan 8.210 nan 0.000 0.409 654 A N 0.779 123.588 122.820 -0.018 0.000 1.933 654 A HA -0.171 4.147 4.320 -0.003 0.000 0.218 654 A C 2.535 180.107 177.584 -0.022 0.000 1.175 654 A CA 1.922 53.949 52.037 -0.018 0.000 0.628 654 A CB -0.813 18.177 19.000 -0.018 0.000 0.814 654 A HN 0.445 nan 8.150 nan 0.000 0.444 655 A N 0.852 123.656 122.820 -0.026 0.000 1.873 655 A HA -0.170 4.148 4.320 -0.003 0.000 0.215 655 A C 2.242 179.809 177.584 -0.029 0.000 1.186 655 A CA 1.762 53.781 52.037 -0.030 0.000 0.616 655 A CB -0.538 18.440 19.000 -0.036 0.000 0.823 655 A HN 0.730 nan 8.150 nan 0.000 0.442 656 R N -0.818 119.666 120.500 -0.027 0.000 2.075 656 R HA -0.022 4.316 4.340 -0.003 0.000 0.232 656 R C 1.585 177.872 176.300 -0.022 0.000 1.126 656 R CA 1.655 57.740 56.100 -0.025 0.000 0.963 656 R CB -0.786 29.500 30.300 -0.023 0.000 0.858 656 R HN 0.315 nan 8.270 nan 0.000 0.435 657 L N 0.652 121.864 121.223 -0.019 0.000 2.201 657 L HA 0.057 4.395 4.340 -0.003 0.000 0.212 657 L C 0.693 177.553 176.870 -0.017 0.000 1.105 657 L CA 1.207 56.038 54.840 -0.016 0.000 0.775 657 L CB -0.541 41.510 42.059 -0.013 0.000 0.913 657 L HN 0.270 nan 8.230 nan 0.000 0.440 658 R N -1.457 119.031 120.500 -0.019 0.000 3.418 658 R HA -0.123 4.215 4.340 -0.003 0.000 0.274 658 R C -0.841 175.449 176.300 -0.016 0.000 1.108 658 R CA 0.139 56.227 56.100 -0.019 0.000 0.741 658 R CB -2.324 27.964 30.300 -0.019 0.000 1.223 658 R HN 0.149 nan 8.270 nan 0.000 0.434 659 V N -0.366 119.539 119.914 -0.015 0.000 3.113 659 V HA 0.526 4.644 4.120 -0.003 0.000 0.316 659 V C -1.933 174.154 176.094 -0.012 0.000 1.125 659 V CA -1.995 60.298 62.300 -0.012 0.000 1.026 659 V CB 2.184 34.001 31.823 -0.011 0.000 1.080 659 V HN -0.095 nan 8.190 nan 0.000 0.444 660 P HA 0.165 nan 4.420 nan 0.000 0.274 660 P C 0.896 178.190 177.300 -0.009 0.000 1.237 660 P CA -0.173 62.921 63.100 -0.010 0.000 0.793 660 P CB 0.643 32.339 31.700 -0.008 0.000 0.977 661 V N -1.511 118.398 119.914 -0.009 0.000 2.427 661 V HA -0.182 3.936 4.120 -0.003 0.000 0.248 661 V C 1.733 177.824 176.094 -0.004 0.000 1.051 661 V CA 2.073 64.368 62.300 -0.008 0.000 1.048 661 V CB -1.211 30.606 31.823 -0.010 0.000 0.666 661 V HN 0.422 nan 8.190 nan 0.000 0.456 662 D N -0.030 120.368 120.400 -0.004 0.000 2.178 662 D HA -0.189 4.449 4.640 -0.003 0.000 0.201 662 D C 2.240 178.539 176.300 -0.001 0.000 0.980 662 D CA 1.439 55.438 54.000 -0.001 0.000 0.842 662 D CB -0.048 40.752 40.800 -0.001 0.000 0.948 662 D HN 0.529 nan 8.370 nan 0.000 0.472 663 Q N 0.045 119.843 119.800 -0.003 0.000 2.167 663 Q HA -0.005 4.333 4.340 -0.003 0.000 0.202 663 Q C 0.792 176.790 176.000 -0.003 0.000 0.970 663 Q CA 0.188 55.989 55.803 -0.003 0.000 0.855 663 Q CB -0.209 28.526 28.738 -0.005 0.000 0.911 663 Q HN 0.193 nan 8.270 nan 0.000 0.438 664 V N 2.683 122.595 119.914 -0.003 0.000 2.715 664 V HA 0.011 4.129 4.120 -0.003 0.000 0.299 664 V C 0.512 176.607 176.094 0.002 0.000 1.054 664 V CA -0.375 61.924 62.300 -0.001 0.000 1.077 664 V CB 0.676 32.498 31.823 -0.002 0.000 0.972 664 V HN 0.264 nan 8.190 nan 0.000 0.484 665 N N 3.370 122.071 118.700 0.002 0.000 2.430 665 N HA 0.141 4.879 4.740 -0.003 0.000 0.265 665 N C 1.433 176.947 175.510 0.007 0.000 1.100 665 N CA -0.685 52.366 53.050 0.002 0.000 0.961 665 N CB 0.596 39.082 38.487 -0.002 0.000 1.075 665 N HN 0.689 nan 8.380 nan 0.000 0.478 666 R N 2.792 123.299 120.500 0.011 0.000 2.120 666 R HA -0.146 4.192 4.340 -0.003 0.000 0.234 666 R C 1.516 177.826 176.300 0.017 0.000 1.123 666 R CA 0.982 57.099 56.100 0.028 0.000 0.975 666 R CB -0.153 30.166 30.300 0.030 0.000 0.866 666 R HN 0.382 nan 8.270 nan 0.000 0.446 667 K N 1.245 121.638 120.400 -0.012 0.000 2.209 667 K HA -0.108 4.210 4.320 -0.003 0.000 0.204 667 K C 1.182 177.774 176.600 -0.013 0.000 1.048 667 K CA 1.601 57.869 56.287 -0.033 0.000 0.940 667 K CB -0.094 32.387 32.500 -0.032 0.000 0.729 667 K HN 0.188 nan 8.250 nan 0.000 0.451 668 D N 0.082 120.483 120.400 0.002 0.000 2.219 668 D HA -0.061 4.577 4.640 -0.003 0.000 0.205 668 D C -0.077 176.236 176.300 0.022 0.000 0.970 668 D CA 0.949 54.953 54.000 0.007 0.000 0.851 668 D CB -0.081 40.722 40.800 0.005 0.000 0.943 668 D HN 0.240 nan 8.370 nan 0.000 0.488 669 A N 0.932 123.780 122.820 0.046 0.000 2.252 669 A HA 0.280 4.598 4.320 -0.003 0.000 0.309 669 A C 1.200 178.874 177.584 0.149 0.000 1.285 669 A CA -0.507 51.576 52.037 0.076 0.000 0.900 669 A CB 0.708 19.756 19.000 0.080 0.000 1.157 669 A HN -0.125 nan 8.150 nan 0.000 0.536 670 R N 1.872 122.437 120.500 0.109 0.000 2.090 670 R HA 0.029 4.367 4.340 -0.003 0.000 0.228 670 R C 0.993 177.410 176.300 0.195 0.000 1.110 670 R CA 1.369 57.548 56.100 0.132 0.000 0.973 670 R CB -0.501 29.834 30.300 0.059 0.000 0.869 670 R HN 0.744 nan 8.270 nan 0.000 0.440 671 A N 0.345 123.208 122.820 0.071 0.000 2.295 671 A HA 0.484 4.802 4.320 -0.003 0.000 0.318 671 A C -0.428 177.024 177.584 -0.219 0.000 1.134 671 A CA -0.488 51.522 52.037 -0.045 0.000 0.827 671 A CB 1.136 20.104 19.000 -0.053 0.000 1.136 671 A HN 0.370 nan 8.150 nan 0.000 0.493 672 C N 0.692 119.766 119.300 -0.377 0.000 2.994 672 C HA 0.757 5.215 4.460 -0.003 0.000 0.305 672 C C -1.413 173.358 174.990 -0.366 0.000 1.251 672 C CA -0.215 58.491 59.018 -0.521 0.000 1.478 672 C CB 1.254 28.374 27.740 -1.034 0.000 1.922 672 C HN 0.832 nan 8.230 nan 0.000 0.472 673 V N 5.228 124.954 119.914 -0.313 0.000 2.524 673 V HA 0.480 4.598 4.120 -0.003 0.000 0.297 673 V C -0.532 175.403 176.094 -0.266 0.000 1.035 673 V CA -0.246 61.898 62.300 -0.260 0.000 0.867 673 V CB 1.420 33.147 31.823 -0.160 0.000 1.004 673 V HN 0.798 nan 8.190 nan 0.000 0.426 674 I N 4.450 124.813 120.570 -0.346 0.000 2.406 674 I HA 0.499 4.667 4.170 -0.003 0.000 0.290 674 I C -0.058 175.983 176.117 -0.128 0.000 0.999 674 I CA -0.344 60.797 61.300 -0.264 0.000 1.124 674 I CB 1.398 39.172 38.000 -0.378 0.000 1.289 674 I HN 0.644 nan 8.210 nan 0.000 0.441 675 N N 4.571 123.231 118.700 -0.067 0.000 2.525 675 N HA 0.139 4.878 4.740 -0.003 0.000 0.271 675 N C 0.960 176.472 175.510 0.003 0.000 1.194 675 N CA 0.703 53.736 53.050 -0.029 0.000 0.964 675 N CB 1.951 40.421 38.487 -0.030 0.000 1.126 675 N HN 0.875 nan 8.380 nan 0.000 0.452 676 G N 2.987 111.789 108.800 0.004 0.000 2.422 676 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.218 676 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.218 676 G C 1.451 176.352 174.900 0.002 0.000 1.146 676 G CA 0.508 45.618 45.100 0.016 0.000 0.769 676 G HN 0.672 nan 8.290 nan 0.000 0.547 677 M N 0.800 120.379 119.600 -0.035 0.000 2.117 677 M HA -0.141 4.337 4.480 -0.003 0.000 0.262 677 M C 2.870 179.183 176.300 0.022 0.000 1.065 677 M CA 2.143 57.423 55.300 -0.034 0.000 1.114 677 M CB -0.162 32.372 32.600 -0.110 0.000 1.361 677 M HN 0.529 nan 8.290 nan 0.000 0.408 678 Q N -0.162 119.647 119.800 0.016 0.000 2.123 678 Q HA -0.168 4.171 4.340 -0.003 0.000 0.199 678 Q C 2.039 178.065 176.000 0.043 0.000 0.966 678 Q CA 1.457 57.276 55.803 0.027 0.000 0.845 678 Q CB -0.777 27.966 28.738 0.009 0.000 0.907 678 Q HN 0.617 nan 8.270 nan 0.000 0.439 679 L N 0.989 122.246 121.223 0.057 0.000 2.083 679 L HA -0.179 4.159 4.340 -0.003 0.000 0.209 679 L C 2.669 179.580 176.870 0.070 0.000 1.083 679 L CA 1.619 56.515 54.840 0.093 0.000 0.752 679 L CB -0.220 41.927 42.059 0.146 0.000 0.899 679 L HN 0.291 nan 8.230 nan 0.000 0.433 680 K N 0.376 120.809 120.400 0.055 0.000 2.063 680 K HA -0.262 4.057 4.320 -0.003 0.000 0.208 680 K C 1.625 178.255 176.600 0.051 0.000 1.048 680 K CA 2.156 58.473 56.287 0.050 0.000 0.928 680 K CB -0.185 32.350 32.500 0.057 0.000 0.713 680 K HN 0.646 nan 8.250 nan 0.000 0.442 681 D N -0.237 120.195 120.400 0.053 0.000 2.219 681 D HA -0.143 4.495 4.640 -0.003 0.000 0.205 681 D C 0.577 176.903 176.300 0.043 0.000 0.970 681 D CA 0.737 54.765 54.000 0.047 0.000 0.851 681 D CB -0.017 40.810 40.800 0.046 0.000 0.943 681 D HN 0.038 nan 8.370 nan 0.000 0.488 682 M N 1.282 120.911 119.600 0.048 0.000 2.243 682 M HA 0.137 4.616 4.480 -0.003 0.000 0.341 682 M C 0.368 176.694 176.300 0.043 0.000 1.130 682 M CA -0.183 55.146 55.300 0.048 0.000 1.162 682 M CB 0.780 33.418 32.600 0.062 0.000 1.497 682 M HN 0.142 nan 8.290 nan 0.000 0.456 683 D N 2.917 123.340 120.400 0.038 0.000 2.329 683 D HA 0.175 4.813 4.640 -0.003 0.000 0.246 683 D C -1.837 174.484 176.300 0.035 0.000 1.111 683 D CA -1.490 52.529 54.000 0.032 0.000 0.941 683 D CB 1.745 42.561 40.800 0.026 0.000 1.169 683 D HN 0.205 nan 8.370 nan 0.000 0.441 684 P HA -0.112 nan 4.420 nan 0.000 0.220 684 P C 1.381 178.699 177.300 0.031 0.000 1.148 684 P CA 1.189 64.305 63.100 0.026 0.000 0.803 684 P CB 0.071 31.780 31.700 0.015 0.000 0.782 685 S N -0.303 115.413 115.700 0.027 0.000 2.383 685 S HA -0.185 4.283 4.470 -0.003 0.000 0.227 685 S C 2.087 176.708 174.600 0.035 0.000 1.026 685 S CA 1.246 59.462 58.200 0.027 0.000 0.981 685 S CB -1.019 62.194 63.200 0.021 0.000 0.818 685 S HN 0.040 nan 8.310 nan 0.000 0.472 686 E N 1.742 121.967 120.200 0.041 0.000 2.106 686 E HA -0.004 4.344 4.350 -0.003 0.000 0.192 686 E C 1.890 178.533 176.600 0.072 0.000 0.984 686 E CA 1.170 57.599 56.400 0.050 0.000 0.806 686 E CB -0.608 29.122 29.700 0.049 0.000 0.750 686 E HN 0.647 nan 8.360 nan 0.000 0.458 687 L N -0.498 120.774 121.223 0.082 0.000 2.056 687 L HA -0.146 4.192 4.340 -0.003 0.000 0.207 687 L C 2.410 179.347 176.870 0.112 0.000 1.078 687 L CA 0.911 55.824 54.840 0.121 0.000 0.749 687 L CB -0.541 41.577 42.059 0.098 0.000 0.901 687 L HN 0.085 nan 8.230 nan 0.000 0.433 688 V N 0.086 120.042 119.914 0.069 0.000 2.332 688 V HA -0.317 3.801 4.120 -0.003 0.000 0.248 688 V C 2.486 178.613 176.094 0.056 0.000 1.055 688 V CA 2.126 64.459 62.300 0.055 0.000 1.038 688 V CB -0.523 31.320 31.823 0.033 0.000 0.651 688 V HN 0.512 nan 8.190 nan 0.000 0.450 689 E N 0.215 120.444 120.200 0.048 0.000 2.072 689 E HA -0.204 4.144 4.350 -0.003 0.000 0.191 689 E C 2.246 178.871 176.600 0.040 0.000 0.985 689 E CA 1.251 57.669 56.400 0.029 0.000 0.801 689 E CB -0.249 29.463 29.700 0.019 0.000 0.750 689 E HN 0.563 nan 8.360 nan 0.000 0.452 690 A N 1.019 123.899 122.820 0.100 0.000 1.908 690 A HA -0.165 4.153 4.320 -0.003 0.000 0.218 690 A C 2.181 179.893 177.584 0.213 0.000 1.181 690 A CA 1.203 53.352 52.037 0.186 0.000 0.627 690 A CB -0.637 18.482 19.000 0.200 0.000 0.818 690 A HN 0.310 nan 8.150 nan 0.000 0.445 691 L N -1.401 119.925 121.223 0.171 0.000 2.056 691 L HA -0.153 4.185 4.340 -0.003 0.000 0.207 691 L C 2.813 179.733 176.870 0.084 0.000 1.078 691 L CA 1.749 56.681 54.840 0.154 0.000 0.749 691 L CB -0.508 41.626 42.059 0.125 0.000 0.901 691 L HN 0.437 nan 8.230 nan 0.000 0.433 692 R N -0.444 120.080 120.500 0.040 0.000 2.081 692 R HA -0.176 4.162 4.340 -0.003 0.000 0.235 692 R C 2.397 178.672 176.300 -0.042 0.000 1.131 692 R CA 1.917 58.019 56.100 0.003 0.000 0.960 692 R CB -0.257 30.039 30.300 -0.007 0.000 0.856 692 R HN 0.178 nan 8.270 nan 0.000 0.436 693 T N -0.715 113.772 114.554 -0.111 0.000 2.951 693 T HA -0.068 4.280 4.350 -0.003 0.000 0.268 693 T C -0.304 174.146 174.700 -0.416 0.000 1.073 693 T CA 0.923 62.842 62.100 -0.300 0.000 1.134 693 T CB -0.051 68.535 68.868 -0.469 0.000 0.884 693 T HN 0.368 nan 8.240 nan 0.000 0.479 694 H N -0.442 118.631 119.070 0.004 0.000 2.572 694 H HA 0.380 4.934 4.556 -0.003 0.000 0.359 694 H C -1.928 173.403 175.328 0.005 0.000 1.134 694 H CA -2.016 54.029 56.048 -0.005 0.000 1.187 694 H CB 1.917 31.665 29.762 -0.023 0.000 1.597 694 H HN -0.107 nan 8.280 nan 0.000 0.524 695 P HA -0.007 nan 4.420 nan 0.000 0.224 695 P C -0.562 176.779 177.300 0.069 0.000 1.157 695 P CA 0.830 63.975 63.100 0.076 0.000 0.799 695 P CB 0.663 32.391 31.700 0.046 0.000 0.809 696 E N 0.591 120.830 120.200 0.065 0.000 2.267 696 E HA 0.265 4.613 4.350 -0.003 0.000 0.248 696 E C -0.347 176.243 176.600 -0.017 0.000 0.899 696 E CA -0.500 55.915 56.400 0.024 0.000 0.764 696 E CB 0.952 30.656 29.700 0.007 0.000 1.227 696 E HN 0.016 nan 8.360 nan 0.000 0.421 697 M N 0.495 120.094 119.600 -0.001 0.000 2.436 697 M HA 0.615 5.093 4.480 -0.003 0.000 0.331 697 M C -0.997 175.273 176.300 -0.051 0.000 1.135 697 M CA -1.172 54.084 55.300 -0.074 0.000 0.987 697 M CB 1.239 33.831 32.600 -0.014 0.000 1.687 697 M HN 0.031 nan 8.290 nan 0.000 0.445 698 V N 4.012 123.821 119.914 -0.174 0.000 2.443 698 V HA 0.474 4.593 4.120 -0.003 0.000 0.293 698 V C -1.287 174.685 176.094 -0.203 0.000 1.021 698 V CA -0.337 61.907 62.300 -0.093 0.000 0.848 698 V CB 1.476 33.247 31.823 -0.086 0.000 0.998 698 V HN 0.749 nan 8.190 nan 0.000 0.424 699 F N 3.678 123.601 119.950 -0.045 0.000 2.385 699 F HA 0.770 5.295 4.527 -0.003 0.000 0.360 699 F C 0.641 176.411 175.800 -0.049 0.000 1.122 699 F CA -0.229 57.744 58.000 -0.044 0.000 1.090 699 F CB 1.526 40.505 39.000 -0.035 0.000 1.150 699 F HN 0.558 nan 8.300 nan 0.000 0.472 700 A N 2.723 125.580 122.820 0.061 0.000 2.354 700 A HA 0.809 5.127 4.320 -0.003 0.000 0.321 700 A C 0.524 178.103 177.584 -0.008 0.000 1.125 700 A CA -0.999 51.046 52.037 0.013 0.000 0.799 700 A CB 0.975 19.963 19.000 -0.019 0.000 1.293 700 A HN 0.734 nan 8.150 nan 0.000 0.452 701 R N -0.614 119.847 120.500 -0.065 0.000 3.525 701 R HA -0.138 4.200 4.340 -0.003 0.000 0.276 701 R C 0.187 176.445 176.300 -0.069 0.000 1.116 701 R CA 1.263 57.294 56.100 -0.116 0.000 0.745 701 R CB -2.622 27.604 30.300 -0.124 0.000 1.185 701 R HN 1.381 nan 8.270 nan 0.000 0.454 702 T N -2.364 112.168 114.554 -0.036 0.000 2.909 702 T HA 0.599 4.947 4.350 -0.003 0.000 0.289 702 T C 0.696 175.360 174.700 -0.060 0.000 1.005 702 T CA -0.160 61.926 62.100 -0.023 0.000 1.084 702 T CB 1.672 70.540 68.868 -0.001 0.000 0.975 702 T HN 0.430 nan 8.240 nan 0.000 0.509 703 S N 2.071 117.733 115.700 -0.063 0.000 2.681 703 S HA 0.413 4.881 4.470 -0.003 0.000 0.270 703 S C -1.869 172.682 174.600 -0.083 0.000 1.209 703 S CA -1.421 56.727 58.200 -0.086 0.000 0.988 703 S CB 0.631 63.780 63.200 -0.084 0.000 1.006 703 S HN 0.479 nan 8.310 nan 0.000 0.558 704 P HA -0.049 nan 4.420 nan 0.000 0.217 704 P C 1.245 178.503 177.300 -0.069 0.000 1.150 704 P CA 1.218 64.269 63.100 -0.081 0.000 0.832 704 P CB -0.058 31.590 31.700 -0.086 0.000 0.787 705 Q N -0.603 119.159 119.800 -0.064 0.000 2.167 705 Q HA -0.148 4.190 4.340 -0.003 0.000 0.202 705 Q C 2.274 178.239 176.000 -0.058 0.000 0.970 705 Q CA 1.406 57.179 55.803 -0.051 0.000 0.855 705 Q CB -0.743 27.972 28.738 -0.038 0.000 0.911 705 Q HN 0.409 nan 8.270 nan 0.000 0.438 706 Q N 0.163 119.925 119.800 -0.063 0.000 2.119 706 Q HA -0.128 4.210 4.340 -0.003 0.000 0.201 706 Q C 1.898 177.822 176.000 -0.127 0.000 0.972 706 Q CA 0.995 56.752 55.803 -0.076 0.000 0.847 706 Q CB -0.072 28.637 28.738 -0.049 0.000 0.903 706 Q HN 0.239 nan 8.270 nan 0.000 0.433 707 K N 0.560 120.892 120.400 -0.114 0.000 2.097 707 K HA -0.147 4.171 4.320 -0.003 0.000 0.206 707 K C 2.035 178.557 176.600 -0.129 0.000 1.049 707 K CA 0.679 56.886 56.287 -0.133 0.000 0.933 707 K CB -0.050 32.396 32.500 -0.089 0.000 0.717 707 K HN 0.131 nan 8.250 nan 0.000 0.442 708 L N 1.047 122.213 121.223 -0.095 0.000 2.017 708 L HA -0.141 4.197 4.340 -0.003 0.000 0.208 708 L C 2.033 178.850 176.870 -0.088 0.000 1.073 708 L CA 1.574 56.369 54.840 -0.076 0.000 0.745 708 L CB -0.775 41.252 42.059 -0.054 0.000 0.894 708 L HN 0.048 nan 8.230 nan 0.000 0.432 709 V N 0.407 120.263 119.914 -0.097 0.000 2.343 709 V HA -0.295 3.823 4.120 -0.003 0.000 0.247 709 V C 2.736 178.749 176.094 -0.135 0.000 1.051 709 V CA 1.372 63.616 62.300 -0.093 0.000 1.036 709 V CB -0.453 31.323 31.823 -0.079 0.000 0.654 709 V HN 0.304 nan 8.190 nan 0.000 0.451 710 I N 0.036 120.466 120.570 -0.234 0.000 2.163 710 I HA -0.191 3.978 4.170 -0.003 0.000 0.243 710 I C 2.502 178.502 176.117 -0.195 0.000 1.085 710 I CA 1.535 62.629 61.300 -0.342 0.000 1.347 710 I CB -1.262 36.390 38.000 -0.581 0.000 1.044 710 I HN 0.185 nan 8.210 nan 0.000 0.408 711 V N 0.991 120.816 119.914 -0.148 0.000 2.295 711 V HA -0.255 3.863 4.120 -0.003 0.000 0.246 711 V C 2.483 178.539 176.094 -0.063 0.000 1.049 711 V CA 1.732 63.978 62.300 -0.090 0.000 1.024 711 V CB -0.721 31.060 31.823 -0.070 0.000 0.648 711 V HN 0.427 nan 8.190 nan 0.000 0.447 712 E N 0.145 120.308 120.200 -0.061 0.000 2.077 712 E HA -0.180 4.168 4.350 -0.003 0.000 0.193 712 E C 2.421 179.001 176.600 -0.033 0.000 0.989 712 E CA 1.571 57.947 56.400 -0.039 0.000 0.800 712 E CB -0.225 29.455 29.700 -0.034 0.000 0.746 712 E HN 0.539 nan 8.360 nan 0.000 0.452 713 S N 0.458 116.131 115.700 -0.045 0.000 2.368 713 S HA -0.173 4.295 4.470 -0.003 0.000 0.225 713 S C 2.190 176.781 174.600 -0.014 0.000 1.030 713 S CA 0.967 59.152 58.200 -0.025 0.000 0.999 713 S CB -0.295 62.888 63.200 -0.027 0.000 0.844 713 S HN 0.395 nan 8.310 nan 0.000 0.459 714 C N 1.572 120.856 119.300 -0.026 0.000 2.429 714 C HA -0.076 4.382 4.460 -0.003 0.000 0.277 714 C C 2.793 177.778 174.990 -0.008 0.000 1.262 714 C CA 0.495 59.506 59.018 -0.011 0.000 1.733 714 C CB -1.343 26.386 27.740 -0.018 0.000 2.010 714 C HN 0.622 nan 8.230 nan 0.000 0.483 715 Q N 0.185 119.976 119.800 -0.014 0.000 2.167 715 Q HA -0.114 4.224 4.340 -0.003 0.000 0.202 715 Q C 2.391 178.388 176.000 -0.005 0.000 0.970 715 Q CA 1.056 56.853 55.803 -0.010 0.000 0.855 715 Q CB -0.204 28.526 28.738 -0.012 0.000 0.911 715 Q HN 0.660 nan 8.270 nan 0.000 0.438 716 R N 0.317 120.814 120.500 -0.004 0.000 2.127 716 R HA -0.152 4.186 4.340 -0.003 0.000 0.238 716 R C 2.227 178.529 176.300 0.003 0.000 1.134 716 R CA 0.935 57.035 56.100 0.000 0.000 0.975 716 R CB -0.400 29.901 30.300 0.002 0.000 0.865 716 R HN 0.176 nan 8.270 nan 0.000 0.447 717 L N -0.272 120.954 121.223 0.004 0.000 2.131 717 L HA -0.034 4.304 4.340 -0.003 0.000 0.210 717 L C 1.308 178.180 176.870 0.003 0.000 1.092 717 L CA 2.385 57.228 54.840 0.006 0.000 0.759 717 L CB -0.100 41.965 42.059 0.009 0.000 0.903 717 L HN 0.441 nan 8.230 nan 0.000 0.435 718 G N -2.623 106.178 108.800 0.001 0.000 2.229 718 G HA2 -0.098 3.860 3.960 -0.003 0.000 0.189 718 G HA3 -0.098 3.860 3.960 -0.003 0.000 0.189 718 G C 0.477 175.375 174.900 -0.004 0.000 1.000 718 G CA 0.082 45.182 45.100 -0.000 0.000 0.663 718 G HN 0.779 nan 8.290 nan 0.000 0.493 719 A N 0.778 123.596 122.820 -0.004 0.000 2.346 719 A HA 0.662 4.980 4.320 -0.003 0.000 0.252 719 A C 0.442 178.020 177.584 -0.010 0.000 1.089 719 A CA 0.064 52.097 52.037 -0.007 0.000 0.797 719 A CB 0.275 19.273 19.000 -0.004 0.000 1.047 719 A HN 0.570 nan 8.150 nan 0.000 0.494 720 I N 2.169 122.730 120.570 -0.015 0.000 2.315 720 I HA 0.320 4.488 4.170 -0.003 0.000 0.291 720 I C 0.069 176.176 176.117 -0.016 0.000 1.006 720 I CA -0.168 61.122 61.300 -0.017 0.000 1.265 720 I CB 0.560 38.546 38.000 -0.025 0.000 1.387 720 I HN 0.440 nan 8.210 nan 0.000 0.475 721 V N 3.470 123.375 119.914 -0.014 0.000 2.495 721 V HA 0.929 5.047 4.120 -0.003 0.000 0.298 721 V C 0.054 176.140 176.094 -0.014 0.000 1.031 721 V CA -0.776 61.517 62.300 -0.013 0.000 0.871 721 V CB 1.445 33.260 31.823 -0.015 0.000 0.988 721 V HN 0.779 nan 8.190 nan 0.000 0.432 722 A N 4.482 127.295 122.820 -0.010 0.000 2.288 722 A HA 0.814 5.132 4.320 -0.003 0.000 0.320 722 A C -0.399 177.184 177.584 -0.001 0.000 1.217 722 A CA -0.624 51.406 52.037 -0.012 0.000 0.840 722 A CB 1.262 20.249 19.000 -0.021 0.000 1.179 722 A HN 1.169 nan 8.150 nan 0.000 0.504 723 V N 2.838 122.749 119.914 -0.004 0.000 2.427 723 V HA 0.585 4.703 4.120 -0.003 0.000 0.286 723 V C 0.525 176.629 176.094 0.017 0.000 1.034 723 V CA -0.058 62.245 62.300 0.005 0.000 0.893 723 V CB 1.534 33.352 31.823 -0.007 0.000 0.982 723 V HN 1.015 nan 8.190 nan 0.000 0.452 724 T N 1.375 115.958 114.554 0.049 0.000 2.792 724 T HA 0.863 5.211 4.350 -0.003 0.000 0.280 724 T C -0.134 174.613 174.700 0.077 0.000 0.990 724 T CA -0.373 61.773 62.100 0.076 0.000 0.960 724 T CB 1.601 70.571 68.868 0.170 0.000 0.939 724 T HN 1.120 nan 8.240 nan 0.000 0.439 725 G N 1.093 109.925 108.800 0.054 0.000 2.646 725 G HA2 0.515 4.473 3.960 -0.003 0.000 0.291 725 G HA3 0.515 4.473 3.960 -0.003 0.000 0.291 725 G C -0.579 174.338 174.900 0.028 0.000 1.445 725 G CA -0.842 44.279 45.100 0.036 0.000 0.814 725 G HN 0.546 nan 8.290 nan 0.000 0.495 726 D N -0.533 119.877 120.400 0.017 0.000 2.423 726 D HA 0.184 4.822 4.640 -0.003 0.000 0.208 726 D C 1.211 177.508 176.300 -0.005 0.000 1.068 726 D CA 0.642 54.648 54.000 0.009 0.000 0.860 726 D CB 1.818 42.623 40.800 0.007 0.000 0.992 726 D HN 0.549 nan 8.370 nan 0.000 0.504 727 G N 0.480 109.272 108.800 -0.013 0.000 2.816 727 G HA2 0.301 4.259 3.960 -0.003 0.000 0.288 727 G HA3 0.301 4.259 3.960 -0.003 0.000 0.288 727 G C 0.558 175.440 174.900 -0.030 0.000 1.334 727 G CA -0.395 44.691 45.100 -0.024 0.000 0.978 727 G HN -0.049 nan 8.290 nan 0.000 0.493 728 V N 0.780 120.670 119.914 -0.040 0.000 2.626 728 V HA -0.116 4.002 4.120 -0.003 0.000 0.252 728 V C 2.354 178.419 176.094 -0.047 0.000 1.067 728 V CA 2.395 64.669 62.300 -0.043 0.000 1.081 728 V CB -0.697 31.092 31.823 -0.056 0.000 0.686 728 V HN 0.778 nan 8.190 nan 0.000 0.468 729 N N 1.518 120.184 118.700 -0.056 0.000 2.396 729 N HA -0.166 4.573 4.740 -0.003 0.000 0.180 729 N C 1.211 176.689 175.510 -0.053 0.000 1.028 729 N CA 1.680 54.690 53.050 -0.066 0.000 0.893 729 N CB -0.698 37.743 38.487 -0.076 0.000 0.967 729 N HN 0.764 nan 8.380 nan 0.000 0.440 730 D N -0.369 120.007 120.400 -0.040 0.000 2.355 730 D HA 0.076 4.714 4.640 -0.003 0.000 0.218 730 D C 1.316 177.599 176.300 -0.028 0.000 1.004 730 D CA 0.085 54.066 54.000 -0.032 0.000 0.880 730 D CB 0.076 40.864 40.800 -0.021 0.000 0.911 730 D HN 0.043 nan 8.370 nan 0.000 0.528 731 S N 1.431 117.115 115.700 -0.027 0.000 2.359 731 S HA -0.115 4.353 4.470 -0.003 0.000 0.222 731 S C -0.622 173.966 174.600 -0.020 0.000 1.038 731 S CA 1.397 59.585 58.200 -0.020 0.000 1.051 731 S CB -1.157 62.033 63.200 -0.016 0.000 0.944 731 S HN 0.330 nan 8.310 nan 0.000 0.433 732 P HA -0.022 nan 4.420 nan 0.000 0.216 732 P C 1.404 178.687 177.300 -0.029 0.000 1.150 732 P CA 1.483 64.568 63.100 -0.025 0.000 0.837 732 P CB -0.152 31.529 31.700 -0.030 0.000 0.786 733 A N -0.617 122.182 122.820 -0.035 0.000 1.873 733 A HA -0.137 4.181 4.320 -0.003 0.000 0.215 733 A C 2.229 179.797 177.584 -0.027 0.000 1.186 733 A CA 1.313 53.328 52.037 -0.038 0.000 0.616 733 A CB -1.588 17.385 19.000 -0.045 0.000 0.823 733 A HN 0.097 nan 8.150 nan 0.000 0.442 734 L N -0.888 120.322 121.223 -0.020 0.000 2.046 734 L HA -0.186 4.152 4.340 -0.003 0.000 0.208 734 L C 2.597 179.459 176.870 -0.013 0.000 1.077 734 L CA 1.847 56.678 54.840 -0.014 0.000 0.747 734 L CB -0.402 41.651 42.059 -0.010 0.000 0.896 734 L HN 0.341 nan 8.230 nan 0.000 0.432 735 K N 0.644 121.036 120.400 -0.012 0.000 2.147 735 K HA -0.207 4.111 4.320 -0.003 0.000 0.205 735 K C 2.038 178.632 176.600 -0.010 0.000 1.049 735 K CA 1.353 57.635 56.287 -0.009 0.000 0.936 735 K CB 0.033 32.528 32.500 -0.007 0.000 0.722 735 K HN -0.085 nan 8.250 nan 0.000 0.446 736 K N 0.179 120.569 120.400 -0.015 0.000 2.137 736 K HA 0.245 4.563 4.320 -0.003 0.000 0.202 736 K C 0.063 176.653 176.600 -0.016 0.000 1.052 736 K CA 0.661 56.938 56.287 -0.017 0.000 0.961 736 K CB -0.274 32.212 32.500 -0.025 0.000 0.741 736 K HN 0.199 nan 8.250 nan 0.000 0.452 737 A N 1.225 124.034 122.820 -0.018 0.000 2.492 737 A HA -0.019 4.299 4.320 -0.003 0.000 0.236 737 A C 0.565 178.142 177.584 -0.012 0.000 1.078 737 A CA 0.304 52.331 52.037 -0.017 0.000 0.773 737 A CB -0.002 18.989 19.000 -0.016 0.000 1.023 737 A HN 0.391 nan 8.150 nan 0.000 0.504 738 D N -0.399 119.994 120.400 -0.012 0.000 2.144 738 D HA -0.065 4.573 4.640 -0.003 0.000 0.199 738 D C 0.420 176.715 176.300 -0.010 0.000 0.984 738 D CA 1.731 55.725 54.000 -0.009 0.000 0.834 738 D CB 0.106 40.899 40.800 -0.011 0.000 0.955 738 D HN 0.505 nan 8.370 nan 0.000 0.465 739 I N 0.089 120.651 120.570 -0.014 0.000 2.534 739 I HA 0.393 4.561 4.170 -0.003 0.000 0.288 739 I C -0.794 175.313 176.117 -0.016 0.000 1.077 739 I CA -0.615 60.676 61.300 -0.015 0.000 1.051 739 I CB 2.012 40.000 38.000 -0.021 0.000 1.234 739 I HN -0.182 nan 8.210 nan 0.000 0.425 740 G N 6.901 115.693 108.800 -0.014 0.000 2.335 740 G HA2 0.580 4.538 3.960 -0.003 0.000 0.316 740 G HA3 0.580 4.538 3.960 -0.003 0.000 0.316 740 G C -1.190 173.700 174.900 -0.016 0.000 1.129 740 G CA -0.343 44.749 45.100 -0.013 0.000 0.899 740 G HN 0.401 nan 8.290 nan 0.000 0.448 741 V N 1.383 121.287 119.914 -0.016 0.000 2.459 741 V HA 0.787 4.905 4.120 -0.003 0.000 0.295 741 V C 0.373 176.464 176.094 -0.006 0.000 1.029 741 V CA -0.599 61.687 62.300 -0.023 0.000 0.874 741 V CB 1.282 33.076 31.823 -0.049 0.000 0.985 741 V HN 1.087 nan 8.190 nan 0.000 0.438 742 A N 5.675 128.491 122.820 -0.005 0.000 2.380 742 A HA 0.917 5.235 4.320 -0.003 0.000 0.315 742 A C -0.584 177.007 177.584 0.011 0.000 1.101 742 A CA -0.833 51.208 52.037 0.006 0.000 0.771 742 A CB 1.571 20.572 19.000 0.001 0.000 1.287 742 A HN 0.657 nan 8.150 nan 0.000 0.436 743 M N 1.994 121.607 119.600 0.023 0.000 2.185 743 M HA 0.230 4.708 4.480 -0.003 0.000 0.357 743 M C 1.451 177.760 176.300 0.014 0.000 1.260 743 M CA -0.061 55.255 55.300 0.027 0.000 1.124 743 M CB 0.519 33.144 32.600 0.042 0.000 1.600 743 M HN 0.944 nan 8.290 nan 0.000 0.467 744 G N 3.562 112.368 108.800 0.010 0.000 2.414 744 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.215 744 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.215 744 G C 1.402 176.305 174.900 0.005 0.000 1.188 744 G CA 0.495 45.597 45.100 0.004 0.000 0.783 744 G HN 0.667 nan 8.290 nan 0.000 0.537 745 I N 1.163 121.738 120.570 0.008 0.000 2.162 745 I HA -0.036 4.132 4.170 -0.003 0.000 0.238 745 I C 3.269 179.390 176.117 0.006 0.000 1.076 745 I CA 1.056 62.361 61.300 0.007 0.000 1.353 745 I CB -0.266 37.739 38.000 0.009 0.000 1.063 745 I HN 0.223 nan 8.210 nan 0.000 0.408 746 A N 0.860 123.686 122.820 0.010 0.000 1.969 746 A HA 0.067 4.385 4.320 -0.003 0.000 0.218 746 A C 1.700 179.286 177.584 0.003 0.000 1.169 746 A CA 0.959 53.001 52.037 0.007 0.000 0.635 746 A CB -1.369 17.637 19.000 0.011 0.000 0.810 746 A HN 0.419 nan 8.150 nan 0.000 0.445 747 G N 0.436 109.239 108.800 0.005 0.000 2.391 747 G HA2 0.337 4.295 3.960 -0.003 0.000 0.234 747 G HA3 0.337 4.295 3.960 -0.003 0.000 0.234 747 G C 0.223 175.120 174.900 -0.005 0.000 1.284 747 G CA 0.305 45.406 45.100 0.002 0.000 0.873 747 G HN 0.342 nan 8.290 nan 0.000 0.549 748 S N 0.891 116.585 115.700 -0.010 0.000 2.608 748 S HA 0.078 4.546 4.470 -0.003 0.000 0.261 748 S C 1.161 175.754 174.600 -0.011 0.000 1.314 748 S CA -0.515 57.675 58.200 -0.016 0.000 0.992 748 S CB 1.053 64.237 63.200 -0.026 0.000 0.935 748 S HN 0.673 nan 8.310 nan 0.000 0.564 749 D N 1.344 121.738 120.400 -0.011 0.000 2.144 749 D HA -0.069 4.569 4.640 -0.003 0.000 0.200 749 D C 2.043 178.341 176.300 -0.003 0.000 0.978 749 D CA 1.279 55.277 54.000 -0.004 0.000 0.833 749 D CB -0.398 40.402 40.800 0.000 0.000 0.961 749 D HN 0.545 nan 8.370 nan 0.000 0.470 750 A N 1.332 124.149 122.820 -0.006 0.000 1.877 750 A HA -0.068 4.250 4.320 -0.003 0.000 0.216 750 A C 2.362 179.943 177.584 -0.005 0.000 1.186 750 A CA 2.199 54.234 52.037 -0.003 0.000 0.620 750 A CB -0.687 18.308 19.000 -0.009 0.000 0.822 750 A HN 0.236 nan 8.150 nan 0.000 0.443 751 A N -0.285 122.530 122.820 -0.009 0.000 1.902 751 A HA -0.184 4.134 4.320 -0.003 0.000 0.217 751 A C 2.133 179.715 177.584 -0.004 0.000 1.181 751 A CA 2.079 54.112 52.037 -0.007 0.000 0.623 751 A CB -0.470 18.527 19.000 -0.006 0.000 0.818 751 A HN 0.566 nan 8.150 nan 0.000 0.443 752 K N 0.385 120.783 120.400 -0.003 0.000 2.057 752 K HA -0.248 4.070 4.320 -0.003 0.000 0.207 752 K C 1.839 178.438 176.600 -0.002 0.000 1.049 752 K CA 1.934 58.219 56.287 -0.003 0.000 0.931 752 K CB -0.303 32.196 32.500 -0.003 0.000 0.714 752 K HN 0.723 nan 8.250 nan 0.000 0.440 753 N N 0.208 118.908 118.700 0.001 0.000 2.188 753 N HA -0.135 4.603 4.740 -0.003 0.000 0.184 753 N C 1.633 177.145 175.510 0.002 0.000 1.018 753 N CA 1.400 54.452 53.050 0.003 0.000 0.858 753 N CB -0.418 38.074 38.487 0.007 0.000 0.989 753 N HN 0.176 nan 8.380 nan 0.000 0.426 754 A N 0.099 122.919 122.820 0.001 0.000 2.015 754 A HA 0.352 4.670 4.320 -0.003 0.000 0.219 754 A C 1.405 178.987 177.584 -0.003 0.000 1.163 754 A CA 0.885 52.922 52.037 -0.001 0.000 0.646 754 A CB -0.901 18.097 19.000 -0.004 0.000 0.806 754 A HN 0.607 nan 8.150 nan 0.000 0.448 755 A N -0.412 122.406 122.820 -0.004 0.000 2.304 755 A HA 0.451 4.769 4.320 -0.003 0.000 0.271 755 A C 0.462 178.043 177.584 -0.006 0.000 1.091 755 A CA -0.031 52.002 52.037 -0.006 0.000 0.812 755 A CB 0.356 19.352 19.000 -0.007 0.000 1.056 755 A HN 0.260 nan 8.150 nan 0.000 0.489 756 D N 0.063 120.458 120.400 -0.008 0.000 2.240 756 D HA 0.103 4.741 4.640 -0.003 0.000 0.206 756 D C 0.178 176.471 176.300 -0.012 0.000 0.963 756 D CA 1.401 55.396 54.000 -0.008 0.000 0.863 756 D CB 0.106 40.900 40.800 -0.009 0.000 0.973 756 D HN 0.547 nan 8.370 nan 0.000 0.501 757 M N 0.405 119.994 119.600 -0.017 0.000 2.518 757 M HA 0.356 4.834 4.480 -0.003 0.000 0.300 757 M C -1.281 175.005 176.300 -0.022 0.000 1.175 757 M CA -0.674 54.612 55.300 -0.023 0.000 0.890 757 M CB 3.439 36.019 32.600 -0.033 0.000 1.710 757 M HN -0.332 nan 8.290 nan 0.000 0.453 758 I N 3.330 123.887 120.570 -0.022 0.000 2.465 758 I HA 0.359 4.527 4.170 -0.003 0.000 0.291 758 I C -0.772 175.332 176.117 -0.022 0.000 1.014 758 I CA -0.616 60.673 61.300 -0.018 0.000 1.093 758 I CB 1.911 39.903 38.000 -0.014 0.000 1.267 758 I HN 0.573 nan 8.210 nan 0.000 0.431 759 L N 6.600 127.811 121.223 -0.019 0.000 2.334 759 L HA 0.169 4.507 4.340 -0.003 0.000 0.286 759 L C 1.329 178.195 176.870 -0.006 0.000 1.108 759 L CA -0.279 54.549 54.840 -0.019 0.000 0.875 759 L CB 1.060 43.110 42.059 -0.015 0.000 1.246 759 L HN 0.486 nan 8.230 nan 0.000 0.439 760 L N 1.870 123.087 121.223 -0.010 0.000 2.083 760 L HA -0.192 4.146 4.340 -0.003 0.000 0.209 760 L C 2.039 178.909 176.870 0.000 0.000 1.083 760 L CA 1.529 56.365 54.840 -0.006 0.000 0.752 760 L CB -0.656 41.397 42.059 -0.010 0.000 0.899 760 L HN 0.628 nan 8.230 nan 0.000 0.433 761 D N -0.293 120.108 120.400 0.002 0.000 2.269 761 D HA -0.185 4.453 4.640 -0.003 0.000 0.208 761 D C 0.055 176.367 176.300 0.020 0.000 0.963 761 D CA 0.571 54.576 54.000 0.008 0.000 0.864 761 D CB 0.316 41.120 40.800 0.006 0.000 0.936 761 D HN 0.240 nan 8.370 nan 0.000 0.505 762 D N 0.358 120.774 120.400 0.026 0.000 3.041 762 D HA -0.218 4.420 4.640 -0.003 0.000 0.220 762 D C -0.194 176.150 176.300 0.072 0.000 1.157 762 D CA 0.418 54.447 54.000 0.048 0.000 0.876 762 D CB -2.377 38.448 40.800 0.042 0.000 1.107 762 D HN 0.481 nan 8.370 nan 0.000 0.422 763 N N -0.125 118.608 118.700 0.054 0.000 2.437 763 N HA 0.181 4.919 4.740 -0.003 0.000 0.243 763 N C 0.955 176.512 175.510 0.078 0.000 1.041 763 N CA -0.386 52.705 53.050 0.068 0.000 0.940 763 N CB 0.177 38.683 38.487 0.032 0.000 1.133 763 N HN -0.037 nan 8.380 nan 0.000 0.506 764 F N 4.221 124.170 119.950 -0.002 0.000 2.234 764 F HA -0.025 4.500 4.527 -0.003 0.000 0.299 764 F C 2.235 178.033 175.800 -0.002 0.000 1.087 764 F CA 1.197 59.196 58.000 -0.002 0.000 1.340 764 F CB 0.009 39.009 39.000 -0.001 0.000 1.031 764 F HN 0.644 nan 8.300 nan 0.000 0.500 765 A N -0.759 122.126 122.820 0.108 0.000 2.024 765 A HA -0.193 4.125 4.320 -0.003 0.000 0.220 765 A C 2.333 179.880 177.584 -0.061 0.000 1.164 765 A CA 1.911 53.973 52.037 0.042 0.000 0.643 765 A CB -1.129 17.902 19.000 0.052 0.000 0.806 765 A HN 0.389 nan 8.150 nan 0.000 0.451 766 S N -0.125 115.523 115.700 -0.088 0.000 2.419 766 S HA -0.140 4.328 4.470 -0.003 0.000 0.235 766 S C 1.680 176.184 174.600 -0.160 0.000 1.019 766 S CA 1.404 59.543 58.200 -0.101 0.000 0.982 766 S CB -0.518 62.630 63.200 -0.086 0.000 0.789 766 S HN 0.610 nan 8.310 nan 0.000 0.490 767 I N 0.610 121.000 120.570 -0.299 0.000 2.208 767 I HA -0.149 4.019 4.170 -0.003 0.000 0.245 767 I C 2.366 178.366 176.117 -0.194 0.000 1.097 767 I CA 0.873 61.975 61.300 -0.331 0.000 1.363 767 I CB -0.432 37.189 38.000 -0.631 0.000 1.051 767 I HN 0.187 nan 8.210 nan 0.000 0.413 768 V N 1.102 120.929 119.914 -0.146 0.000 2.343 768 V HA -0.290 3.828 4.120 -0.003 0.000 0.247 768 V C 2.719 178.779 176.094 -0.057 0.000 1.051 768 V CA 2.751 65.009 62.300 -0.070 0.000 1.036 768 V CB -0.600 31.208 31.823 -0.026 0.000 0.654 768 V HN 0.708 nan 8.190 nan 0.000 0.451 769 T N -2.324 112.195 114.554 -0.059 0.000 2.788 769 T HA -0.062 4.286 4.350 -0.003 0.000 0.268 769 T C 1.978 176.648 174.700 -0.049 0.000 1.044 769 T CA 1.482 63.555 62.100 -0.044 0.000 1.139 769 T CB -1.097 67.747 68.868 -0.040 0.000 0.867 769 T HN 0.529 nan 8.240 nan 0.000 0.454 770 G N 1.892 110.651 108.800 -0.068 0.000 2.446 770 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.217 770 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.217 770 G C 1.823 176.691 174.900 -0.053 0.000 1.168 770 G CA 1.737 46.799 45.100 -0.063 0.000 0.771 770 G HN 0.772 nan 8.290 nan 0.000 0.551 771 V N -0.785 119.094 119.914 -0.059 0.000 2.343 771 V HA -0.129 3.990 4.120 -0.003 0.000 0.247 771 V C 2.324 178.396 176.094 -0.037 0.000 1.051 771 V CA 2.641 64.912 62.300 -0.049 0.000 1.036 771 V CB -0.715 31.079 31.823 -0.049 0.000 0.654 771 V HN 0.496 nan 8.190 nan 0.000 0.451 772 E N -0.381 119.800 120.200 -0.031 0.000 2.085 772 E HA -0.277 4.071 4.350 -0.003 0.000 0.194 772 E C 2.384 178.975 176.600 -0.015 0.000 0.994 772 E CA 1.631 58.020 56.400 -0.019 0.000 0.801 772 E CB -0.208 29.483 29.700 -0.015 0.000 0.743 772 E HN 0.673 nan 8.360 nan 0.000 0.453 773 Q N -0.482 119.306 119.800 -0.020 0.000 2.197 773 Q HA -0.137 4.201 4.340 -0.003 0.000 0.207 773 Q C 2.098 178.098 176.000 0.001 0.000 0.984 773 Q CA 1.479 57.273 55.803 -0.015 0.000 0.869 773 Q CB -0.499 28.226 28.738 -0.022 0.000 0.906 773 Q HN 0.409 nan 8.270 nan 0.000 0.426 774 G N -0.059 108.738 108.800 -0.006 0.000 2.776 774 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.209 774 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.209 774 G C 1.468 176.381 174.900 0.021 0.000 1.145 774 G CA -0.056 45.048 45.100 0.007 0.000 0.791 774 G HN 0.200 nan 8.290 nan 0.000 0.530 775 R N -1.274 119.238 120.500 0.020 0.000 2.084 775 R HA 0.259 4.597 4.340 -0.003 0.000 0.209 775 R C 2.218 178.568 176.300 0.082 0.000 1.173 775 R CA 0.017 56.138 56.100 0.035 0.000 1.053 775 R CB -0.550 29.753 30.300 0.006 0.000 0.948 775 R HN 0.270 nan 8.270 nan 0.000 0.460 776 L N 1.624 122.873 121.223 0.044 0.000 2.012 776 L HA -0.108 4.230 4.340 -0.003 0.000 0.210 776 L C 2.098 178.985 176.870 0.028 0.000 1.073 776 L CA 1.590 56.447 54.840 0.029 0.000 0.748 776 L CB -0.353 41.706 42.059 -0.000 0.000 0.891 776 L HN 0.199 nan 8.230 nan 0.000 0.431 777 I N -1.640 118.947 120.570 0.028 0.000 2.315 777 I HA -0.302 3.866 4.170 -0.003 0.000 0.248 777 I C 2.309 178.441 176.117 0.025 0.000 1.117 777 I CA 1.105 62.407 61.300 0.004 0.000 1.404 777 I CB -0.109 37.889 38.000 -0.004 0.000 1.071 777 I HN 0.372 nan 8.210 nan 0.000 0.419 778 F N 1.944 121.867 119.950 -0.045 0.000 2.095 778 F HA -0.321 4.204 4.527 -0.003 0.000 0.298 778 F C 2.080 177.849 175.800 -0.052 0.000 1.104 778 F CA 2.185 60.161 58.000 -0.040 0.000 1.232 778 F CB -0.370 38.614 39.000 -0.027 0.000 0.987 778 F HN 0.158 nan 8.300 nan 0.000 0.475 779 D N 0.097 120.562 120.400 0.107 0.000 2.097 779 D HA -0.177 4.461 4.640 -0.003 0.000 0.195 779 D C 1.897 178.114 176.300 -0.140 0.000 0.989 779 D CA 1.333 55.319 54.000 -0.024 0.000 0.827 779 D CB -0.705 40.102 40.800 0.012 0.000 0.966 779 D HN 0.268 nan 8.370 nan 0.000 0.456 780 N N 0.633 119.274 118.700 -0.099 0.000 2.364 780 N HA -0.095 4.643 4.740 -0.003 0.000 0.183 780 N C 1.866 177.296 175.510 -0.134 0.000 1.022 780 N CA 0.111 53.097 53.050 -0.107 0.000 0.883 780 N CB -0.271 38.172 38.487 -0.074 0.000 0.965 780 N HN 0.257 nan 8.380 nan 0.000 0.438 781 L N 0.852 121.968 121.223 -0.179 0.000 2.072 781 L HA -0.102 4.236 4.340 -0.003 0.000 0.205 781 L C 1.884 178.613 176.870 -0.235 0.000 1.079 781 L CA 1.256 55.969 54.840 -0.210 0.000 0.752 781 L CB -0.045 41.852 42.059 -0.270 0.000 0.906 781 L HN 0.066 nan 8.230 nan 0.000 0.436 782 K N -0.039 120.195 120.400 -0.278 0.000 2.063 782 K HA -0.221 4.097 4.320 -0.003 0.000 0.208 782 K C 2.062 178.614 176.600 -0.080 0.000 1.048 782 K CA 1.632 57.800 56.287 -0.198 0.000 0.928 782 K CB -0.051 32.361 32.500 -0.146 0.000 0.713 782 K HN 0.298 nan 8.250 nan 0.000 0.442 783 K N 0.547 120.871 120.400 -0.126 0.000 2.063 783 K HA -0.138 4.180 4.320 -0.003 0.000 0.208 783 K C 2.352 178.970 176.600 0.031 0.000 1.048 783 K CA 1.869 58.118 56.287 -0.063 0.000 0.928 783 K CB -0.154 32.273 32.500 -0.122 0.000 0.713 783 K HN 0.190 nan 8.250 nan 0.000 0.442 784 S N 0.858 116.545 115.700 -0.022 0.000 2.428 784 S HA -0.068 4.400 4.470 -0.003 0.000 0.230 784 S C 2.008 176.640 174.600 0.053 0.000 1.014 784 S CA 0.719 58.933 58.200 0.024 0.000 0.957 784 S CB -0.448 62.733 63.200 -0.033 0.000 0.784 784 S HN 0.181 nan 8.310 nan 0.000 0.499 785 I N 2.207 122.748 120.570 -0.048 0.000 2.202 785 I HA -0.090 4.078 4.170 -0.003 0.000 0.242 785 I C 3.092 179.244 176.117 0.059 0.000 1.091 785 I CA 1.063 62.307 61.300 -0.094 0.000 1.368 785 I CB -0.684 37.093 38.000 -0.373 0.000 1.058 785 I HN 0.406 nan 8.210 nan 0.000 0.410 786 A N 0.374 123.275 122.820 0.135 0.000 1.908 786 A HA -0.297 4.021 4.320 -0.003 0.000 0.218 786 A C 2.321 180.014 177.584 0.182 0.000 1.181 786 A CA 1.737 53.904 52.037 0.217 0.000 0.627 786 A CB -1.112 18.110 19.000 0.371 0.000 0.818 786 A HN 0.541 nan 8.150 nan 0.000 0.445 787 Y N 0.423 120.765 120.300 0.071 0.000 2.145 787 Y HA -0.177 4.371 4.550 -0.003 0.000 0.286 787 Y C 2.818 178.724 175.900 0.010 0.000 1.145 787 Y CA 2.436 60.562 58.100 0.044 0.000 1.148 787 Y CB -0.741 37.737 38.460 0.030 0.000 0.981 787 Y HN 0.286 nan 8.280 nan 0.000 0.507 788 T N 0.153 114.721 114.554 0.023 0.000 2.777 788 T HA -0.136 4.212 4.350 -0.003 0.000 0.266 788 T C 1.946 176.570 174.700 -0.127 0.000 1.040 788 T CA 1.721 63.772 62.100 -0.082 0.000 1.141 788 T CB -0.495 68.397 68.868 0.039 0.000 0.868 788 T HN 0.400 nan 8.240 nan 0.000 0.444 789 L N 0.632 121.829 121.223 -0.043 0.000 2.141 789 L HA -0.067 4.272 4.340 -0.003 0.000 0.209 789 L C 2.904 179.593 176.870 -0.303 0.000 1.094 789 L CA 1.384 56.188 54.840 -0.060 0.000 0.763 789 L CB -0.946 41.204 42.059 0.152 0.000 0.908 789 L HN 0.310 nan 8.230 nan 0.000 0.437 790 T N -0.581 113.816 114.554 -0.262 0.000 2.720 790 T HA -0.260 4.088 4.350 -0.003 0.000 0.268 790 T C 1.917 176.396 174.700 -0.369 0.000 1.037 790 T CA 1.412 63.315 62.100 -0.329 0.000 1.144 790 T CB -0.128 68.612 68.868 -0.213 0.000 0.864 790 T HN 0.224 nan 8.240 nan 0.000 0.444 791 K N 0.751 120.954 120.400 -0.328 0.000 2.362 791 K HA -0.068 4.250 4.320 -0.003 0.000 0.200 791 K C 1.976 178.428 176.600 -0.247 0.000 1.046 791 K CA 0.628 56.751 56.287 -0.273 0.000 0.952 791 K CB -0.011 32.332 32.500 -0.262 0.000 0.753 791 K HN 0.152 nan 8.250 nan 0.000 0.466 792 N N 1.028 119.540 118.700 -0.313 0.000 2.069 792 N HA -0.181 4.557 4.740 -0.003 0.000 0.191 792 N C 1.573 176.894 175.510 -0.315 0.000 1.031 792 N CA 1.286 54.160 53.050 -0.293 0.000 0.852 792 N CB -0.230 38.050 38.487 -0.345 0.000 1.018 792 N HN 0.125 nan 8.380 nan 0.000 0.423 793 I N 1.021 121.323 120.570 -0.448 0.000 2.163 793 I HA -0.157 4.011 4.170 -0.003 0.000 0.243 793 I C -0.869 175.147 176.117 -0.168 0.000 1.085 793 I CA 1.248 62.343 61.300 -0.343 0.000 1.347 793 I CB -1.525 36.253 38.000 -0.370 0.000 1.044 793 I HN 0.115 nan 8.210 nan 0.000 0.408 794 P HA -0.119 nan 4.420 nan 0.000 0.222 794 P C 1.311 178.666 177.300 0.092 0.000 1.147 794 P CA 1.281 64.400 63.100 0.031 0.000 0.790 794 P CB -0.023 31.665 31.700 -0.021 0.000 0.780 795 E N -1.157 119.029 120.200 -0.023 0.000 2.112 795 E HA -0.062 4.286 4.350 -0.003 0.000 0.190 795 E C 1.595 178.140 176.600 -0.090 0.000 0.979 795 E CA 0.699 57.070 56.400 -0.048 0.000 0.814 795 E CB -0.410 29.258 29.700 -0.053 0.000 0.762 795 E HN 0.138 nan 8.360 nan 0.000 0.460 796 L N 0.749 121.915 121.223 -0.095 0.000 2.023 796 L HA -0.135 4.203 4.340 -0.003 0.000 0.205 796 L C 2.756 179.584 176.870 -0.069 0.000 1.073 796 L CA 2.028 56.816 54.840 -0.087 0.000 0.745 796 L CB -1.245 40.739 42.059 -0.125 0.000 0.900 796 L HN 0.237 nan 8.230 nan 0.000 0.435 797 T N -2.311 112.211 114.554 -0.054 0.000 2.665 797 T HA -0.139 4.209 4.350 -0.003 0.000 0.268 797 T C -0.343 174.415 174.700 0.097 0.000 1.035 797 T CA 1.344 63.443 62.100 -0.000 0.000 1.151 797 T CB -2.044 66.862 68.868 0.063 0.000 0.862 797 T HN 0.234 nan 8.240 nan 0.000 0.438 798 P HA -0.180 nan 4.420 nan 0.000 0.216 798 P C 1.352 178.593 177.300 -0.099 0.000 1.153 798 P CA 1.344 64.325 63.100 -0.198 0.000 0.858 798 P CB -0.339 30.891 31.700 -0.783 0.000 0.789 799 Y N 0.768 120.963 120.300 -0.176 0.000 2.200 799 Y HA -0.111 4.437 4.550 -0.003 0.000 0.290 799 Y C 2.479 178.346 175.900 -0.055 0.000 1.137 799 Y CA 1.239 59.271 58.100 -0.114 0.000 1.163 799 Y CB -1.073 37.322 38.460 -0.108 0.000 0.988 799 Y HN -0.241 nan 8.280 nan 0.000 0.518 800 L N -0.517 120.639 121.223 -0.112 0.000 1.994 800 L HA -0.223 4.115 4.340 -0.003 0.000 0.208 800 L C 2.516 179.266 176.870 -0.200 0.000 1.071 800 L CA 1.768 56.472 54.840 -0.225 0.000 0.745 800 L CB -0.751 41.162 42.059 -0.243 0.000 0.892 800 L HN 0.251 nan 8.230 nan 0.000 0.431 801 I N -0.973 119.528 120.570 -0.115 0.000 2.361 801 I HA -0.369 3.799 4.170 -0.003 0.000 0.251 801 I C 2.639 178.663 176.117 -0.154 0.000 1.133 801 I CA 1.260 62.492 61.300 -0.114 0.000 1.413 801 I CB -0.049 37.909 38.000 -0.069 0.000 1.073 801 I HN 0.229 nan 8.210 nan 0.000 0.424 802 Y N 1.650 121.768 120.300 -0.303 0.000 2.128 802 Y HA -0.283 4.265 4.550 -0.003 0.000 0.284 802 Y C 2.114 177.812 175.900 -0.336 0.000 1.154 802 Y CA 2.224 60.116 58.100 -0.346 0.000 1.149 802 Y CB -0.336 37.871 38.460 -0.421 0.000 0.976 802 Y HN 0.154 nan 8.280 nan 0.000 0.505 803 I N -0.929 119.359 120.570 -0.471 0.000 2.233 803 I HA -0.270 3.898 4.170 -0.003 0.000 0.243 803 I C 2.246 178.163 176.117 -0.334 0.000 1.093 803 I CA 1.687 62.658 61.300 -0.547 0.000 1.380 803 I CB -0.761 36.682 38.000 -0.929 0.000 1.067 803 I HN 0.180 nan 8.210 nan 0.000 0.413 804 T N 0.145 114.546 114.554 -0.255 0.000 2.701 804 T HA -0.139 4.209 4.350 -0.003 0.000 0.263 804 T C 1.934 176.568 174.700 -0.110 0.000 1.040 804 T CA 1.318 63.341 62.100 -0.128 0.000 1.147 804 T CB -0.303 68.518 68.868 -0.079 0.000 0.865 804 T HN 0.146 nan 8.240 nan 0.000 0.426 805 V N 0.846 120.674 119.914 -0.142 0.000 2.871 805 V HA 0.022 4.141 4.120 -0.003 0.000 0.256 805 V C 0.663 176.667 176.094 -0.151 0.000 1.082 805 V CA 0.953 63.183 62.300 -0.117 0.000 1.105 805 V CB -0.723 31.042 31.823 -0.097 0.000 0.713 805 V HN 0.668 nan 8.190 nan 0.000 0.473 806 S N -0.782 114.765 115.700 -0.255 0.000 3.749 806 S HA -0.136 4.332 4.470 -0.003 0.000 0.348 806 S C -0.224 174.206 174.600 -0.285 0.000 1.045 806 S CA 0.698 58.720 58.200 -0.296 0.000 1.051 806 S CB -1.566 61.541 63.200 -0.154 0.000 0.898 806 S HN 0.563 nan 8.310 nan 0.000 0.472 807 V N 0.980 120.690 119.914 -0.340 0.000 3.096 807 V HA 0.680 4.798 4.120 -0.003 0.000 0.319 807 V C -2.240 173.668 176.094 -0.310 0.000 1.103 807 V CA -2.280 59.846 62.300 -0.290 0.000 1.016 807 V CB 1.889 33.565 31.823 -0.245 0.000 1.090 807 V HN 0.014 nan 8.190 nan 0.000 0.449 808 P HA 0.159 nan 4.420 nan 0.000 0.271 808 P C -0.838 176.314 177.300 -0.246 0.000 1.218 808 P CA -0.162 62.657 63.100 -0.468 0.000 0.780 808 P CB 0.352 31.222 31.700 -1.383 0.000 0.901 809 L N 7.039 128.196 121.223 -0.110 0.000 2.562 809 L HA 0.083 4.421 4.340 -0.003 0.000 0.271 809 L C -1.717 174.869 176.870 -0.474 0.000 1.167 809 L CA -0.842 53.820 54.840 -0.297 0.000 0.917 809 L CB -0.063 41.771 42.059 -0.374 0.000 1.187 809 L HN 0.349 nan 8.230 nan 0.000 0.482 810 P HA 0.023 nan 4.420 nan 0.000 0.222 810 P C -0.755 176.026 177.300 -0.866 0.000 1.153 810 P CA 0.649 63.171 63.100 -0.963 0.000 0.798 810 P CB 0.269 31.118 31.700 -1.419 0.000 0.796 811 L N -1.826 119.110 121.223 -0.479 0.000 2.434 811 L HA 0.758 5.096 4.340 -0.003 0.000 0.260 811 L C -0.374 176.573 176.870 0.128 0.000 0.983 811 L CA -0.821 53.945 54.840 -0.123 0.000 0.820 811 L CB 1.886 43.612 42.059 -0.556 0.000 1.361 811 L HN -0.135 nan 8.230 nan 0.000 0.410 812 G N 0.993 109.822 108.800 0.048 0.000 2.568 812 G HA2 0.438 4.396 3.960 -0.003 0.000 0.313 812 G HA3 0.438 4.396 3.960 -0.003 0.000 0.313 812 G C 0.608 175.430 174.900 -0.129 0.000 1.227 812 G CA -0.111 44.850 45.100 -0.232 0.000 0.979 812 G HN 0.911 nan 8.290 nan 0.000 0.486 813 C N -0.079 119.138 119.300 -0.139 0.000 2.413 813 C HA -0.101 4.357 4.460 -0.003 0.000 0.276 813 C C 2.701 177.694 174.990 0.004 0.000 1.248 813 C CA 0.803 59.777 59.018 -0.073 0.000 1.742 813 C CB -1.087 26.605 27.740 -0.080 0.000 2.017 813 C HN 0.677 nan 8.230 nan 0.000 0.481 814 I N 0.879 121.447 120.570 -0.003 0.000 2.226 814 I HA -0.220 3.948 4.170 -0.003 0.000 0.245 814 I C 2.389 178.688 176.117 0.303 0.000 1.100 814 I CA 1.679 63.072 61.300 0.155 0.000 1.374 814 I CB -0.257 37.819 38.000 0.126 0.000 1.057 814 I HN 0.342 nan 8.210 nan 0.000 0.413 815 T N 1.774 116.439 114.554 0.186 0.000 2.788 815 T HA -0.130 4.218 4.350 -0.003 0.000 0.268 815 T C 1.932 176.897 174.700 0.441 0.000 1.044 815 T CA 1.361 63.690 62.100 0.383 0.000 1.139 815 T CB -0.147 68.882 68.868 0.269 0.000 0.867 815 T HN 0.227 nan 8.240 nan 0.000 0.454 816 I N 1.174 121.900 120.570 0.260 0.000 2.226 816 I HA -0.082 4.086 4.170 -0.003 0.000 0.245 816 I C 2.341 178.578 176.117 0.200 0.000 1.100 816 I CA 1.263 62.685 61.300 0.204 0.000 1.374 816 I CB -1.241 36.806 38.000 0.079 0.000 1.057 816 I HN 0.291 nan 8.210 nan 0.000 0.413 817 L N -0.646 120.675 121.223 0.164 0.000 2.083 817 L HA -0.213 4.125 4.340 -0.003 0.000 0.209 817 L C 2.582 179.420 176.870 -0.053 0.000 1.083 817 L CA 1.298 56.160 54.840 0.036 0.000 0.752 817 L CB -0.661 41.394 42.059 -0.007 0.000 0.899 817 L HN 0.076 nan 8.230 nan 0.000 0.433 818 F N -0.461 119.533 119.950 0.074 0.000 2.234 818 F HA -0.212 4.313 4.527 -0.003 0.000 0.299 818 F C 2.375 178.340 175.800 0.275 0.000 1.087 818 F CA 0.943 58.947 58.000 0.008 0.000 1.340 818 F CB -0.185 38.574 39.000 -0.402 0.000 1.031 818 F HN -0.040 nan 8.300 nan 0.000 0.500 819 I N 0.595 121.519 120.570 0.590 0.000 2.163 819 I HA -0.233 3.935 4.170 -0.003 0.000 0.240 819 I C 2.454 178.663 176.117 0.154 0.000 1.081 819 I CA 1.728 63.250 61.300 0.370 0.000 1.353 819 I CB -1.338 36.790 38.000 0.213 0.000 1.054 819 I HN 0.300 nan 8.210 nan 0.000 0.407 820 E N 0.718 120.970 120.200 0.086 0.000 2.046 820 E HA -0.192 4.157 4.350 -0.003 0.000 0.190 820 E C 2.215 178.807 176.600 -0.014 0.000 0.982 820 E CA 1.055 57.466 56.400 0.018 0.000 0.800 820 E CB -0.507 29.190 29.700 -0.005 0.000 0.756 820 E HN 0.252 nan 8.360 nan 0.000 0.449 821 L N 0.873 122.053 121.223 -0.071 0.000 2.095 821 L HA -0.027 4.311 4.340 -0.003 0.000 0.204 821 L C 2.394 179.210 176.870 -0.090 0.000 1.080 821 L CA 1.092 55.856 54.840 -0.126 0.000 0.759 821 L CB -0.469 41.448 42.059 -0.238 0.000 0.914 821 L HN 0.331 nan 8.230 nan 0.000 0.439 822 C N -1.356 117.907 119.300 -0.062 0.000 3.047 822 C HA -0.033 4.425 4.460 -0.003 0.000 0.286 822 C C 2.936 178.051 174.990 0.210 0.000 1.337 822 C CA 0.978 60.040 59.018 0.074 0.000 1.696 822 C CB -0.907 26.914 27.740 0.134 0.000 2.160 822 C HN 0.623 nan 8.230 nan 0.000 0.545 823 T N -0.715 113.994 114.554 0.259 0.000 2.812 823 T HA -0.134 4.214 4.350 -0.003 0.000 0.264 823 T C 1.150 175.992 174.700 0.237 0.000 1.042 823 T CA 1.878 64.133 62.100 0.258 0.000 1.140 823 T CB -0.515 68.487 68.868 0.224 0.000 0.870 823 T HN 0.314 nan 8.240 nan 0.000 0.445 824 D N 0.927 121.442 120.400 0.192 0.000 2.312 824 D HA 0.080 4.718 4.640 -0.003 0.000 0.211 824 D C 2.026 178.482 176.300 0.260 0.000 0.964 824 D CA 0.177 54.324 54.000 0.244 0.000 0.877 824 D CB -0.099 40.779 40.800 0.130 0.000 0.924 824 D HN 0.326 nan 8.370 nan 0.000 0.515 825 I N 0.231 120.900 120.570 0.164 0.000 2.142 825 I HA -0.238 3.930 4.170 -0.003 0.000 0.240 825 I C 2.148 178.241 176.117 -0.040 0.000 1.078 825 I CA 1.053 62.364 61.300 0.019 0.000 1.343 825 I CB -1.183 36.750 38.000 -0.112 0.000 1.046 825 I HN -0.040 nan 8.210 nan 0.000 0.405 826 F N 0.905 120.877 119.950 0.037 0.000 2.134 826 F HA -0.090 4.435 4.527 -0.003 0.000 0.299 826 F C -0.134 175.651 175.800 -0.025 0.000 1.097 826 F CA 1.550 59.551 58.000 0.003 0.000 1.264 826 F CB -2.325 36.679 39.000 0.007 0.000 1.001 826 F HN 0.124 nan 8.300 nan 0.000 0.479 827 P HA -0.183 nan 4.420 nan 0.000 0.215 827 P C 1.968 179.089 177.300 -0.297 0.000 1.157 827 P CA 2.087 65.129 63.100 -0.097 0.000 0.868 827 P CB -0.120 31.529 31.700 -0.084 0.000 0.788 828 S N -0.878 114.727 115.700 -0.159 0.000 2.359 828 S HA -0.137 4.331 4.470 -0.003 0.000 0.224 828 S C 1.931 176.485 174.600 -0.077 0.000 1.035 828 S CA 1.611 59.752 58.200 -0.099 0.000 1.018 828 S CB -1.159 62.114 63.200 0.121 0.000 0.876 828 S HN -0.152 nan 8.310 nan 0.000 0.448 829 V N 1.589 121.474 119.914 -0.048 0.000 2.407 829 V HA -0.112 4.006 4.120 -0.003 0.000 0.248 829 V C 2.570 178.702 176.094 0.063 0.000 1.055 829 V CA 2.079 64.371 62.300 -0.013 0.000 1.049 829 V CB -1.025 30.768 31.823 -0.050 0.000 0.662 829 V HN 0.490 nan 8.190 nan 0.000 0.455 830 S N 0.168 115.891 115.700 0.038 0.000 2.469 830 S HA -0.110 4.358 4.470 -0.003 0.000 0.238 830 S C 1.743 176.429 174.600 0.143 0.000 0.998 830 S CA 1.002 59.251 58.200 0.080 0.000 0.957 830 S CB -0.331 62.857 63.200 -0.020 0.000 0.764 830 S HN 0.368 nan 8.310 nan 0.000 0.514 831 L N 1.344 122.584 121.223 0.028 0.000 2.275 831 L HA 0.035 4.373 4.340 -0.003 0.000 0.215 831 L C 2.439 179.331 176.870 0.036 0.000 1.119 831 L CA 1.052 55.892 54.840 -0.000 0.000 0.790 831 L CB -1.059 40.956 42.059 -0.072 0.000 0.919 831 L HN 0.299 nan 8.230 nan 0.000 0.443 832 A N -1.539 121.315 122.820 0.057 0.000 2.019 832 A HA -0.213 4.105 4.320 -0.003 0.000 0.219 832 A C 2.003 179.492 177.584 -0.159 0.000 1.164 832 A CA 1.242 53.238 52.037 -0.069 0.000 0.644 832 A CB -0.809 18.104 19.000 -0.145 0.000 0.805 832 A HN 0.434 nan 8.150 nan 0.000 0.449 833 Y N 0.863 121.150 120.300 -0.022 0.000 2.509 833 Y HA -0.005 4.543 4.550 -0.003 0.000 0.293 833 Y C 0.986 176.881 175.900 -0.008 0.000 1.133 833 Y CA 0.281 58.376 58.100 -0.009 0.000 1.283 833 Y CB -0.105 38.354 38.460 -0.000 0.000 1.001 833 Y HN 0.215 nan 8.280 nan 0.000 0.555 834 E N 1.403 121.659 120.200 0.093 0.000 2.436 834 E HA -0.012 4.336 4.350 -0.003 0.000 0.262 834 E C 0.220 176.833 176.600 0.022 0.000 1.063 834 E CA 0.277 56.707 56.400 0.050 0.000 0.944 834 E CB 0.670 30.378 29.700 0.012 0.000 0.950 834 E HN 0.117 nan 8.360 nan 0.000 0.444 835 K N 0.032 120.448 120.400 0.026 0.000 2.526 835 K HA 0.548 4.866 4.320 -0.003 0.000 0.256 835 K C -0.293 176.314 176.600 0.012 0.000 1.035 835 K CA -0.873 55.425 56.287 0.019 0.000 1.011 835 K CB 0.767 33.284 32.500 0.028 0.000 1.343 835 K HN 0.516 nan 8.250 nan 0.000 0.510 836 A N 0.737 123.567 122.820 0.016 0.000 2.363 836 A HA 0.163 4.481 4.320 -0.003 0.000 0.270 836 A C 0.750 178.348 177.584 0.023 0.000 1.121 836 A CA -0.066 51.982 52.037 0.019 0.000 0.800 836 A CB 0.131 19.145 19.000 0.023 0.000 1.052 836 A HN 0.674 nan 8.150 nan 0.000 0.493 837 E N 0.696 120.912 120.200 0.026 0.000 2.216 837 E HA 0.031 4.379 4.350 -0.003 0.000 0.192 837 E C 0.624 177.244 176.600 0.034 0.000 0.988 837 E CA 0.935 57.355 56.400 0.033 0.000 0.834 837 E CB 0.247 29.970 29.700 0.039 0.000 0.772 837 E HN 0.547 nan 8.360 nan 0.000 0.479 838 S N -0.505 115.216 115.700 0.035 0.000 2.705 838 S HA 0.106 4.574 4.470 -0.003 0.000 0.280 838 S C -1.778 172.841 174.600 0.033 0.000 1.174 838 S CA -0.878 57.339 58.200 0.029 0.000 0.823 838 S CB 1.573 64.796 63.200 0.037 0.000 1.162 838 S HN -0.033 nan 8.310 nan 0.000 0.487 839 D N 2.300 122.717 120.400 0.028 0.000 2.383 839 D HA 0.164 4.802 4.640 -0.003 0.000 0.245 839 D C 1.488 177.842 176.300 0.090 0.000 1.263 839 D CA -0.209 53.819 54.000 0.048 0.000 0.936 839 D CB 0.034 40.855 40.800 0.035 0.000 1.053 839 D HN 0.451 nan 8.370 nan 0.000 0.507 840 I N 3.439 124.049 120.570 0.067 0.000 2.394 840 I HA -0.229 3.939 4.170 -0.003 0.000 0.251 840 I C 2.117 178.269 176.117 0.059 0.000 1.136 840 I CA 0.641 61.978 61.300 0.061 0.000 1.425 840 I CB -0.514 37.510 38.000 0.040 0.000 1.079 840 I HN 0.499 nan 8.210 nan 0.000 0.425 841 M N -0.418 119.218 119.600 0.061 0.000 2.229 841 M HA -0.200 4.278 4.480 -0.003 0.000 0.264 841 M C 2.312 178.647 176.300 0.058 0.000 1.063 841 M CA 1.475 56.802 55.300 0.046 0.000 1.114 841 M CB -1.606 31.020 32.600 0.044 0.000 1.387 841 M HN 0.290 nan 8.290 nan 0.000 0.420 842 H N 0.496 119.570 119.070 0.007 0.000 2.421 842 H HA 0.120 4.674 4.556 -0.003 0.000 0.298 842 H C 0.443 175.774 175.328 0.006 0.000 1.087 842 H CA 0.875 56.927 56.048 0.007 0.000 1.330 842 H CB 0.137 29.905 29.762 0.009 0.000 1.388 842 H HN 0.190 nan 8.280 nan 0.000 0.526 843 L N 1.238 122.472 121.223 0.018 0.000 2.439 843 L HA 0.276 4.614 4.340 -0.003 0.000 0.261 843 L C 0.778 177.609 176.870 -0.065 0.000 1.153 843 L CA -0.553 54.269 54.840 -0.031 0.000 0.808 843 L CB 1.033 43.115 42.059 0.039 0.000 1.126 843 L HN 0.248 nan 8.230 nan 0.000 0.460 844 R N 0.927 121.387 120.500 -0.066 0.000 2.649 844 R HA 0.282 4.621 4.340 -0.003 0.000 0.270 844 R C -2.239 174.030 176.300 -0.052 0.000 1.105 844 R CA -1.501 54.563 56.100 -0.061 0.000 1.193 844 R CB -0.233 30.036 30.300 -0.051 0.000 1.120 844 R HN 0.339 nan 8.270 nan 0.000 0.561 845 P HA 0.034 nan 4.420 nan 0.000 0.272 845 P C -0.888 176.364 177.300 -0.080 0.000 1.223 845 P CA -0.142 62.915 63.100 -0.072 0.000 0.784 845 P CB 0.498 32.159 31.700 -0.065 0.000 0.923 846 R N 0.980 121.405 120.500 -0.124 0.000 2.594 846 R HA 0.231 4.569 4.340 -0.003 0.000 0.272 846 R C -0.207 176.029 176.300 -0.106 0.000 1.074 846 R CA -0.423 55.598 56.100 -0.132 0.000 1.105 846 R CB -0.132 30.019 30.300 -0.249 0.000 1.008 846 R HN 0.336 nan 8.270 nan 0.000 0.472 847 N N 3.372 122.029 118.700 -0.071 0.000 2.415 847 N HA 0.097 4.836 4.740 -0.003 0.000 0.246 847 N C -1.618 173.857 175.510 -0.059 0.000 1.078 847 N CA -1.937 51.082 53.050 -0.052 0.000 0.942 847 N CB 1.070 39.539 38.487 -0.030 0.000 1.140 847 N HN 0.453 nan 8.380 nan 0.000 0.501 848 P HA -0.231 nan 4.420 nan 0.000 0.216 848 P C 0.495 177.780 177.300 -0.025 0.000 1.150 848 P CA 1.431 64.503 63.100 -0.048 0.000 0.843 848 P CB 0.314 31.994 31.700 -0.033 0.000 0.787 849 K N 0.040 120.428 120.400 -0.019 0.000 2.031 849 K HA -0.086 4.232 4.320 -0.003 0.000 0.205 849 K C 2.416 178.993 176.600 -0.038 0.000 1.049 849 K CA 1.113 57.393 56.287 -0.012 0.000 0.939 849 K CB -0.862 31.638 32.500 0.000 0.000 0.717 849 K HN 0.173 nan 8.250 nan 0.000 0.438 850 R N 1.612 122.090 120.500 -0.036 0.000 2.057 850 R HA -0.095 4.243 4.340 -0.003 0.000 0.229 850 R C -0.287 175.975 176.300 -0.063 0.000 1.136 850 R CA 1.618 57.694 56.100 -0.039 0.000 0.952 850 R CB 0.003 30.294 30.300 -0.015 0.000 0.848 850 R HN 0.215 nan 8.270 nan 0.000 0.430 851 D N 1.356 121.730 120.400 -0.044 0.000 2.454 851 D HA 0.144 4.782 4.640 -0.003 0.000 0.225 851 D C -0.675 175.640 176.300 0.024 0.000 1.081 851 D CA -0.470 53.526 54.000 -0.008 0.000 0.864 851 D CB 0.826 41.646 40.800 0.034 0.000 1.040 851 D HN -0.080 nan 8.370 nan 0.000 0.517 852 R N 1.481 121.950 120.500 -0.052 0.000 2.560 852 R HA 0.199 4.537 4.340 -0.003 0.000 0.270 852 R C 1.123 177.576 176.300 0.255 0.000 1.074 852 R CA -0.840 55.268 56.100 0.014 0.000 1.140 852 R CB 0.959 31.015 30.300 -0.407 0.000 1.073 852 R HN 0.417 nan 8.270 nan 0.000 0.527 853 L N 1.389 122.797 121.223 0.309 0.000 2.056 853 L HA -0.031 4.307 4.340 -0.003 0.000 0.207 853 L C 0.215 177.117 176.870 0.054 0.000 1.078 853 L CA 1.705 56.549 54.840 0.007 0.000 0.749 853 L CB 0.364 42.328 42.059 -0.158 0.000 0.901 853 L HN 0.252 nan 8.230 nan 0.000 0.433 854 V N 2.734 122.843 119.914 0.326 0.000 2.444 854 V HA 0.393 4.512 4.120 -0.003 0.000 0.294 854 V C -0.559 175.869 176.094 0.556 0.000 1.022 854 V CA -0.814 61.817 62.300 0.551 0.000 0.850 854 V CB 1.273 34.009 31.823 1.521 0.000 0.992 854 V HN 0.490 nan 8.190 nan 0.000 0.426 855 N N 3.916 122.846 118.700 0.383 0.000 2.545 855 N HA 0.338 5.076 4.740 -0.003 0.000 0.289 855 N C 0.674 176.309 175.510 0.207 0.000 1.279 855 N CA -0.706 52.547 53.050 0.339 0.000 0.824 855 N CB 1.728 40.352 38.487 0.228 0.000 1.395 855 N HN 0.516 nan 8.380 nan 0.000 0.526 856 E N -0.217 120.079 120.200 0.160 0.000 2.153 856 E HA -0.077 4.271 4.350 -0.003 0.000 0.194 856 E C -1.202 175.442 176.600 0.073 0.000 0.988 856 E CA 1.166 57.620 56.400 0.090 0.000 0.811 856 E CB -1.850 27.892 29.700 0.070 0.000 0.746 856 E HN 0.411 nan 8.360 nan 0.000 0.466 857 P HA -0.062 nan 4.420 nan 0.000 0.222 857 P C 1.690 178.971 177.300 -0.031 0.000 1.147 857 P CA 0.636 63.741 63.100 0.008 0.000 0.790 857 P CB -0.071 31.624 31.700 -0.008 0.000 0.780 858 L N -0.475 120.749 121.223 0.001 0.000 2.095 858 L HA 0.005 4.343 4.340 -0.003 0.000 0.204 858 L C 1.987 178.942 176.870 0.142 0.000 1.080 858 L CA 2.011 56.849 54.840 -0.003 0.000 0.759 858 L CB -1.535 40.607 42.059 0.138 0.000 0.914 858 L HN -0.070 nan 8.230 nan 0.000 0.439 859 A N -0.075 122.841 122.820 0.160 0.000 1.902 859 A HA -0.108 4.210 4.320 -0.003 0.000 0.217 859 A C 2.461 180.181 177.584 0.228 0.000 1.181 859 A CA 1.746 53.893 52.037 0.182 0.000 0.623 859 A CB -0.788 18.219 19.000 0.012 0.000 0.818 859 A HN 0.515 nan 8.150 nan 0.000 0.443 860 A N -1.740 121.183 122.820 0.173 0.000 1.933 860 A HA -0.110 4.208 4.320 -0.003 0.000 0.218 860 A C 2.156 179.900 177.584 0.266 0.000 1.175 860 A CA 1.688 53.852 52.037 0.212 0.000 0.628 860 A CB -0.745 18.328 19.000 0.121 0.000 0.814 860 A HN 0.667 nan 8.150 nan 0.000 0.444 861 Y N 0.230 120.586 120.300 0.093 0.000 2.184 861 Y HA -0.110 4.438 4.550 -0.003 0.000 0.290 861 Y C 3.022 178.969 175.900 0.079 0.000 1.129 861 Y CA 1.628 59.769 58.100 0.067 0.000 1.144 861 Y CB -0.378 38.022 38.460 -0.099 0.000 0.995 861 Y HN 0.335 nan 8.280 nan 0.000 0.513 862 S N -1.052 114.742 115.700 0.158 0.000 2.338 862 S HA -0.190 4.278 4.470 -0.003 0.000 0.218 862 S C 1.875 176.402 174.600 -0.122 0.000 1.032 862 S CA 1.616 59.832 58.200 0.026 0.000 0.999 862 S CB -0.636 62.630 63.200 0.111 0.000 0.905 862 S HN 0.502 nan 8.310 nan 0.000 0.439 863 Y N 0.127 120.387 120.300 -0.067 0.000 2.153 863 Y HA 0.120 4.668 4.550 -0.003 0.000 0.289 863 Y C 2.165 178.010 175.900 -0.092 0.000 1.119 863 Y CA 1.247 59.275 58.100 -0.120 0.000 1.116 863 Y CB -1.085 37.284 38.460 -0.152 0.000 1.004 863 Y HN 0.386 nan 8.280 nan 0.000 0.501 864 F N 0.782 120.780 119.950 0.080 0.000 2.051 864 F HA -0.245 4.280 4.527 -0.003 0.000 0.296 864 F C 2.135 177.910 175.800 -0.042 0.000 1.122 864 F CA 1.984 60.007 58.000 0.038 0.000 1.201 864 F CB -0.394 38.647 39.000 0.070 0.000 0.978 864 F HN 0.052 nan 8.300 nan 0.000 0.472 865 Q N -0.366 119.395 119.800 -0.065 0.000 2.063 865 Q HA -0.036 4.302 4.340 -0.003 0.000 0.194 865 Q C 2.228 178.006 176.000 -0.370 0.000 0.974 865 Q CA 1.144 56.781 55.803 -0.277 0.000 0.827 865 Q CB -0.057 28.578 28.738 -0.171 0.000 0.902 865 Q HN 0.297 nan 8.270 nan 0.000 0.462 866 I N 0.764 121.072 120.570 -0.436 0.000 2.233 866 I HA -0.105 4.063 4.170 -0.003 0.000 0.243 866 I C 2.343 178.326 176.117 -0.223 0.000 1.093 866 I CA 1.607 62.709 61.300 -0.331 0.000 1.380 866 I CB -1.632 36.170 38.000 -0.330 0.000 1.067 866 I HN 0.313 nan 8.210 nan 0.000 0.413 867 G N 0.671 109.321 108.800 -0.249 0.000 2.432 867 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.219 867 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.219 867 G C 1.853 176.649 174.900 -0.172 0.000 1.135 867 G CA 0.957 45.909 45.100 -0.246 0.000 0.767 867 G HN 0.485 nan 8.290 nan 0.000 0.550 868 A N 0.880 123.596 122.820 -0.173 0.000 1.902 868 A HA 0.052 4.370 4.320 -0.003 0.000 0.217 868 A C 2.371 180.009 177.584 0.090 0.000 1.181 868 A CA 1.244 53.236 52.037 -0.074 0.000 0.623 868 A CB -0.332 18.545 19.000 -0.205 0.000 0.818 868 A HN 0.376 nan 8.150 nan 0.000 0.443 869 I N -0.495 120.067 120.570 -0.013 0.000 2.286 869 I HA -0.305 3.863 4.170 -0.003 0.000 0.248 869 I C 2.721 178.911 176.117 0.123 0.000 1.115 869 I CA 1.375 62.722 61.300 0.079 0.000 1.392 869 I CB -0.433 37.571 38.000 0.006 0.000 1.065 869 I HN 0.439 nan 8.210 nan 0.000 0.418 870 Q N 0.184 119.986 119.800 0.004 0.000 2.119 870 Q HA -0.147 4.191 4.340 -0.003 0.000 0.201 870 Q C 2.451 178.390 176.000 -0.103 0.000 0.972 870 Q CA 1.660 57.422 55.803 -0.069 0.000 0.847 870 Q CB -0.088 28.578 28.738 -0.120 0.000 0.903 870 Q HN 0.451 nan 8.270 nan 0.000 0.433 871 S N 0.490 116.180 115.700 -0.017 0.000 2.356 871 S HA -0.113 4.355 4.470 -0.003 0.000 0.223 871 S C 1.572 176.196 174.600 0.040 0.000 1.032 871 S CA 1.103 59.325 58.200 0.037 0.000 1.005 871 S CB -0.282 62.905 63.200 -0.021 0.000 0.867 871 S HN 0.279 nan 8.310 nan 0.000 0.449 872 F N 1.954 121.884 119.950 -0.032 0.000 2.171 872 F HA -0.053 4.472 4.527 -0.003 0.000 0.300 872 F C 2.562 178.017 175.800 -0.575 0.000 1.090 872 F CA 0.750 58.685 58.000 -0.109 0.000 1.293 872 F CB -0.784 38.205 39.000 -0.019 0.000 1.013 872 F HN 0.173 nan 8.300 nan 0.000 0.486 873 A N 0.239 122.580 122.820 -0.798 0.000 1.940 873 A HA -0.091 4.227 4.320 -0.003 0.000 0.219 873 A C 2.556 179.711 177.584 -0.714 0.000 1.176 873 A CA 1.861 53.120 52.037 -1.295 0.000 0.631 873 A CB -1.563 17.067 19.000 -0.618 0.000 0.814 873 A HN 0.408 nan 8.150 nan 0.000 0.446 874 G N -1.497 106.884 108.800 -0.698 0.000 2.394 874 G HA2 -0.100 3.858 3.960 -0.003 0.000 0.215 874 G HA3 -0.100 3.858 3.960 -0.003 0.000 0.215 874 G C 1.346 175.891 174.900 -0.591 0.000 1.165 874 G CA 0.929 45.260 45.100 -1.282 0.000 0.784 874 G HN 0.420 nan 8.290 nan 0.000 0.535 875 F N 1.967 121.832 119.950 -0.140 0.000 2.216 875 F HA -0.085 4.440 4.527 -0.003 0.000 0.300 875 F C 3.217 179.136 175.800 0.198 0.000 1.085 875 F CA 1.750 59.795 58.000 0.074 0.000 1.326 875 F CB -0.548 38.460 39.000 0.014 0.000 1.027 875 F HN 0.231 nan 8.300 nan 0.000 0.497 876 T N -1.502 113.189 114.554 0.228 0.000 2.708 876 T HA -0.247 4.101 4.350 -0.003 0.000 0.266 876 T C 1.544 176.372 174.700 0.214 0.000 1.037 876 T CA 1.569 63.844 62.100 0.291 0.000 1.146 876 T CB -0.956 68.011 68.868 0.165 0.000 0.865 876 T HN 0.427 nan 8.240 nan 0.000 0.435 877 D N 0.001 120.412 120.400 0.018 0.000 2.178 877 D HA -0.193 4.445 4.640 -0.003 0.000 0.201 877 D C 1.972 178.197 176.300 -0.125 0.000 0.980 877 D CA 0.866 54.838 54.000 -0.048 0.000 0.842 877 D CB -0.870 39.837 40.800 -0.154 0.000 0.948 877 D HN 0.545 nan 8.370 nan 0.000 0.472 878 Y N 0.222 120.391 120.300 -0.218 0.000 2.097 878 Y HA -0.189 4.359 4.550 -0.003 0.000 0.282 878 Y C 1.774 177.447 175.900 -0.378 0.000 1.152 878 Y CA 1.692 59.561 58.100 -0.384 0.000 1.136 878 Y CB -0.482 37.663 38.460 -0.524 0.000 0.975 878 Y HN -0.062 nan 8.280 nan 0.000 0.498 879 F N -0.746 119.245 119.950 0.068 0.000 2.171 879 F HA -0.200 4.325 4.527 -0.003 0.000 0.300 879 F C 2.832 178.606 175.800 -0.043 0.000 1.090 879 F CA 1.941 59.961 58.000 0.033 0.000 1.293 879 F CB -1.235 37.862 39.000 0.161 0.000 1.013 879 F HN 0.052 nan 8.300 nan 0.000 0.486 880 T N -0.515 114.134 114.554 0.158 0.000 2.708 880 T HA -0.157 4.191 4.350 -0.003 0.000 0.266 880 T C 2.226 176.930 174.700 0.007 0.000 1.037 880 T CA 1.370 63.580 62.100 0.182 0.000 1.146 880 T CB -0.441 68.627 68.868 0.332 0.000 0.865 880 T HN 0.239 nan 8.240 nan 0.000 0.435 881 A N 1.164 123.711 122.820 -0.455 0.000 1.877 881 A HA -0.015 4.303 4.320 -0.003 0.000 0.216 881 A C 2.442 179.833 177.584 -0.322 0.000 1.186 881 A CA 1.819 53.430 52.037 -0.709 0.000 0.620 881 A CB -0.684 17.743 19.000 -0.955 0.000 0.822 881 A HN 0.594 nan 8.150 nan 0.000 0.443 882 M N -0.667 118.695 119.600 -0.397 0.000 2.132 882 M HA -0.121 4.358 4.480 -0.003 0.000 0.263 882 M C 2.557 178.833 176.300 -0.040 0.000 1.065 882 M CA 1.381 56.534 55.300 -0.245 0.000 1.122 882 M CB -0.455 31.888 32.600 -0.428 0.000 1.365 882 M HN 0.484 nan 8.290 nan 0.000 0.411 883 A N -0.201 122.604 122.820 -0.024 0.000 1.933 883 A HA -0.241 4.078 4.320 -0.003 0.000 0.218 883 A C 1.981 179.520 177.584 -0.075 0.000 1.175 883 A CA 1.921 53.919 52.037 -0.065 0.000 0.628 883 A CB -0.721 18.360 19.000 0.135 0.000 0.814 883 A HN 0.483 nan 8.150 nan 0.000 0.444 884 Q N -0.288 119.569 119.800 0.094 0.000 2.119 884 Q HA -0.142 4.196 4.340 -0.003 0.000 0.201 884 Q C 1.769 177.819 176.000 0.084 0.000 0.972 884 Q CA 1.656 57.557 55.803 0.162 0.000 0.847 884 Q CB -0.124 28.850 28.738 0.394 0.000 0.903 884 Q HN 0.620 nan 8.270 nan 0.000 0.433 885 E N -1.424 118.820 120.200 0.073 0.000 2.347 885 E HA -0.020 4.328 4.350 -0.003 0.000 0.196 885 E C 0.889 177.495 176.600 0.010 0.000 1.008 885 E CA 0.989 57.444 56.400 0.092 0.000 0.852 885 E CB 0.325 30.074 29.700 0.081 0.000 0.783 885 E HN 0.542 nan 8.360 nan 0.000 0.505 886 G N 0.315 109.034 108.800 -0.134 0.000 2.205 886 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.180 886 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.180 886 G C -0.557 174.127 174.900 -0.361 0.000 1.004 886 G CA -0.333 44.672 45.100 -0.159 0.000 0.670 886 G HN 0.096 nan 8.290 nan 0.000 0.496 887 W N 1.140 122.305 121.300 -0.224 0.000 2.282 887 W HA 0.751 5.409 4.660 -0.003 0.000 0.322 887 W C 0.062 176.452 176.519 -0.217 0.000 1.011 887 W CA -1.377 55.877 57.345 -0.152 0.000 1.392 887 W CB 0.276 29.660 29.460 -0.127 0.000 1.215 887 W HN 0.024 nan 8.180 nan 0.000 0.394 888 F N 4.871 124.993 119.950 0.288 0.000 2.410 888 F HA 0.167 4.692 4.527 -0.003 0.000 0.334 888 F C -0.518 175.436 175.800 0.256 0.000 1.134 888 F CA -2.070 56.066 58.000 0.226 0.000 1.227 888 F CB 0.212 39.287 39.000 0.126 0.000 1.194 888 F HN 0.181 nan 8.300 nan 0.000 0.571 889 P HA -0.198 nan 4.420 nan 0.000 0.216 889 P C 1.618 179.103 177.300 0.308 0.000 1.150 889 P CA 1.720 65.085 63.100 0.443 0.000 0.843 889 P CB 0.165 32.013 31.700 0.247 0.000 0.787 890 L N -1.096 120.269 121.223 0.238 0.000 2.046 890 L HA -0.128 4.210 4.340 -0.003 0.000 0.208 890 L C 2.618 179.594 176.870 0.176 0.000 1.077 890 L CA 1.035 55.970 54.840 0.159 0.000 0.747 890 L CB -0.970 41.152 42.059 0.106 0.000 0.896 890 L HN -0.060 nan 8.230 nan 0.000 0.432 891 L N -0.904 120.463 121.223 0.239 0.000 2.201 891 L HA -0.189 4.149 4.340 -0.003 0.000 0.212 891 L C 2.601 179.607 176.870 0.228 0.000 1.105 891 L CA 1.230 56.221 54.840 0.252 0.000 0.775 891 L CB -1.508 40.763 42.059 0.353 0.000 0.913 891 L HN 0.447 nan 8.230 nan 0.000 0.440 892 C N -0.267 119.157 119.300 0.207 0.000 2.422 892 C HA -0.043 4.415 4.460 -0.003 0.000 0.279 892 C C 1.688 176.699 174.990 0.034 0.000 1.305 892 C CA -0.364 58.708 59.018 0.091 0.000 1.757 892 C CB -0.880 26.923 27.740 0.105 0.000 1.962 892 C HN 0.368 nan 8.230 nan 0.000 0.499 893 V N 0.244 120.199 119.914 0.069 0.000 2.585 893 V HA 0.556 4.674 4.120 -0.003 0.000 0.296 893 V C 1.051 177.151 176.094 0.011 0.000 1.035 893 V CA 0.638 62.952 62.300 0.024 0.000 1.084 893 V CB -0.085 31.759 31.823 0.035 0.000 0.953 893 V HN 0.783 nan 8.190 nan 0.000 0.483 894 G N 3.270 112.051 108.800 -0.031 0.000 2.176 894 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.253 894 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.253 894 G C 0.435 175.331 174.900 -0.008 0.000 0.979 894 G CA 0.276 45.362 45.100 -0.024 0.000 0.641 894 G HN 0.744 nan 8.290 nan 0.000 0.530 895 L N 0.134 121.350 121.223 -0.011 0.000 2.217 895 L HA 0.070 4.408 4.340 -0.003 0.000 0.211 895 L C 2.971 179.871 176.870 0.050 0.000 1.107 895 L CA 2.022 56.881 54.840 0.032 0.000 0.783 895 L CB -0.964 41.105 42.059 0.017 0.000 0.919 895 L HN 0.438 nan 8.230 nan 0.000 0.442 896 R N 0.245 120.726 120.500 -0.032 0.000 2.117 896 R HA -0.193 4.145 4.340 -0.003 0.000 0.243 896 R C -0.378 176.005 176.300 0.139 0.000 1.143 896 R CA 1.464 57.579 56.100 0.025 0.000 0.968 896 R CB -1.636 28.595 30.300 -0.116 0.000 0.863 896 R HN 0.362 nan 8.270 nan 0.000 0.444 897 P HA -0.152 nan 4.420 nan 0.000 0.216 897 P C 0.939 178.329 177.300 0.152 0.000 1.153 897 P CA 1.378 64.548 63.100 0.116 0.000 0.848 897 P CB 0.017 31.759 31.700 0.071 0.000 0.787 898 Q N -2.025 117.869 119.800 0.157 0.000 2.083 898 Q HA -0.146 4.192 4.340 -0.003 0.000 0.198 898 Q C 2.119 178.242 176.000 0.205 0.000 0.969 898 Q CA 1.013 56.918 55.803 0.170 0.000 0.838 898 Q CB -0.650 28.192 28.738 0.173 0.000 0.900 898 Q HN 0.367 nan 8.270 nan 0.000 0.436 899 W N 2.756 124.063 121.300 0.012 0.000 2.355 899 W HA -0.221 4.437 4.660 -0.003 0.000 0.309 899 W C 1.653 178.210 176.519 0.064 0.000 1.206 899 W CA 2.216 59.534 57.345 -0.045 0.000 1.284 899 W CB 0.052 29.409 29.460 -0.172 0.000 1.145 899 W HN 0.279 nan 8.180 nan 0.000 0.502 900 E N 0.309 120.753 120.200 0.407 0.000 2.208 900 E HA -0.173 4.175 4.350 -0.003 0.000 0.193 900 E C 0.973 177.786 176.600 0.355 0.000 0.988 900 E CA 0.358 56.990 56.400 0.387 0.000 0.828 900 E CB -0.881 29.021 29.700 0.336 0.000 0.763 900 E HN -0.093 nan 8.360 nan 0.000 0.478 901 N N 1.199 120.053 118.700 0.256 0.000 2.414 901 N HA -0.106 4.632 4.740 -0.003 0.000 0.268 901 N C 0.317 175.932 175.510 0.174 0.000 1.286 901 N CA 0.306 53.473 53.050 0.194 0.000 0.896 901 N CB 0.624 39.203 38.487 0.154 0.000 1.093 901 N HN 0.268 nan 8.380 nan 0.000 0.480 902 H N 3.162 122.169 119.070 -0.104 0.000 2.423 902 H HA -0.079 4.475 4.556 -0.003 0.000 0.297 902 H C 1.748 176.867 175.328 -0.350 0.000 1.075 902 H CA 1.718 57.379 56.048 -0.645 0.000 1.342 902 H CB 0.049 29.386 29.762 -0.710 0.000 1.395 902 H HN 0.698 nan 8.280 nan 0.000 0.530 903 H N 0.142 119.116 119.070 -0.160 0.000 2.357 903 H HA -0.051 4.503 4.556 -0.003 0.000 0.301 903 H C 0.039 175.300 175.328 -0.112 0.000 1.082 903 H CA 0.785 56.755 56.048 -0.130 0.000 1.342 903 H CB -0.174 29.569 29.762 -0.032 0.000 1.389 903 H HN 0.199 nan 8.280 nan 0.000 0.511 904 L N 2.538 123.817 121.223 0.093 0.000 2.456 904 L HA 0.013 4.351 4.340 -0.003 0.000 0.277 904 L C 1.733 178.611 176.870 0.014 0.000 1.124 904 L CA 0.654 55.548 54.840 0.090 0.000 0.880 904 L CB 0.791 42.935 42.059 0.142 0.000 1.192 904 L HN 0.341 nan 8.230 nan 0.000 0.463 905 Q N 0.919 120.698 119.800 -0.034 0.000 2.398 905 Q HA -0.063 4.275 4.340 -0.003 0.000 0.204 905 Q C 0.365 176.397 176.000 0.053 0.000 0.932 905 Q CA 0.495 56.294 55.803 -0.007 0.000 0.916 905 Q CB 0.494 29.197 28.738 -0.059 0.000 1.024 905 Q HN 0.703 nan 8.270 nan 0.000 0.504 906 D N 0.480 120.923 120.400 0.072 0.000 2.347 906 D HA -0.024 4.614 4.640 -0.003 0.000 0.213 906 D C 0.177 176.573 176.300 0.159 0.000 0.985 906 D CA 0.040 54.098 54.000 0.097 0.000 0.879 906 D CB -0.021 40.833 40.800 0.089 0.000 0.919 906 D HN 0.188 nan 8.370 nan 0.000 0.526 907 L N 1.690 123.040 121.223 0.212 0.000 2.640 907 L HA -0.085 4.253 4.340 -0.003 0.000 0.280 907 L C 0.264 177.372 176.870 0.397 0.000 1.229 907 L CA 0.590 55.618 54.840 0.314 0.000 0.919 907 L CB 0.093 42.349 42.059 0.328 0.000 1.168 907 L HN -0.052 nan 8.230 nan 0.000 0.496 908 Q N 3.091 123.085 119.800 0.325 0.000 2.257 908 Q HA 0.300 4.638 4.340 -0.003 0.000 0.255 908 Q C -0.655 175.392 176.000 0.078 0.000 0.920 908 Q CA -0.908 55.016 55.803 0.201 0.000 0.927 908 Q CB 1.139 29.960 28.738 0.138 0.000 1.229 908 Q HN 0.826 nan 8.270 nan 0.000 0.433 909 D N 1.293 121.551 120.400 -0.236 0.000 2.478 909 D HA 0.126 4.764 4.640 -0.003 0.000 0.274 909 D C 0.397 176.574 176.300 -0.206 0.000 1.234 909 D CA -0.419 53.092 54.000 -0.815 0.000 1.069 909 D CB 0.329 40.460 40.800 -1.116 0.000 1.113 909 D HN 0.405 nan 8.370 nan 0.000 0.571 910 S N -1.614 114.019 115.700 -0.112 0.000 2.382 910 S HA -0.132 4.336 4.470 -0.003 0.000 0.228 910 S C 1.755 176.358 174.600 0.006 0.000 1.027 910 S CA 0.780 59.029 58.200 0.082 0.000 0.991 910 S CB -0.690 62.731 63.200 0.368 0.000 0.823 910 S HN 0.437 nan 8.310 nan 0.000 0.469 911 Y N 0.953 121.288 120.300 0.059 0.000 2.293 911 Y HA 0.105 4.653 4.550 -0.003 0.000 0.291 911 Y C 2.258 178.172 175.900 0.023 0.000 1.137 911 Y CA 0.831 58.971 58.100 0.066 0.000 1.202 911 Y CB -0.252 38.233 38.460 0.042 0.000 0.990 911 Y HN 0.425 nan 8.280 nan 0.000 0.537 912 G N -1.330 107.546 108.800 0.126 0.000 2.260 912 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.179 912 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.179 912 G C 0.052 174.979 174.900 0.046 0.000 1.002 912 G CA -0.400 44.744 45.100 0.074 0.000 0.677 912 G HN 0.212 nan 8.290 nan 0.000 0.486 913 Q N 0.875 120.696 119.800 0.034 0.000 2.443 913 Q HA 0.626 4.964 4.340 -0.003 0.000 0.232 913 Q C 0.249 176.221 176.000 -0.046 0.000 1.026 913 Q CA 0.483 56.245 55.803 -0.068 0.000 0.924 913 Q CB 0.657 29.276 28.738 -0.199 0.000 1.256 913 Q HN 0.557 nan 8.270 nan 0.000 0.519 914 E N 0.282 120.400 120.200 -0.137 0.000 2.199 914 E HA 0.420 4.768 4.350 -0.003 0.000 0.269 914 E C -1.230 175.297 176.600 -0.122 0.000 0.899 914 E CA -0.466 55.926 56.400 -0.014 0.000 0.772 914 E CB 1.200 30.899 29.700 -0.001 0.000 1.155 914 E HN 0.388 nan 8.360 nan 0.000 0.408 915 W N 0.920 122.239 121.300 0.030 0.000 2.736 915 W HA 0.313 4.971 4.660 -0.003 0.000 0.335 915 W C 0.521 177.037 176.519 -0.005 0.000 1.059 915 W CA -0.537 56.821 57.345 0.023 0.000 1.226 915 W CB 1.810 31.315 29.460 0.074 0.000 1.416 915 W HN 0.310 nan 8.180 nan 0.000 0.505 916 T N 1.163 115.841 114.554 0.206 0.000 2.732 916 T HA 0.057 4.405 4.350 -0.003 0.000 0.287 916 T C 0.740 175.502 174.700 0.103 0.000 0.993 916 T CA -0.153 62.020 62.100 0.122 0.000 0.966 916 T CB 0.384 69.309 68.868 0.094 0.000 1.047 916 T HN 0.318 nan 8.240 nan 0.000 0.527 917 F N 1.099 120.995 119.950 -0.089 0.000 2.075 917 F HA 0.134 4.659 4.527 -0.003 0.000 0.297 917 F C 2.275 178.014 175.800 -0.102 0.000 1.113 917 F CA 2.225 60.130 58.000 -0.158 0.000 1.218 917 F CB -0.979 37.874 39.000 -0.245 0.000 0.984 917 F HN 0.628 nan 8.300 nan 0.000 0.472 918 G N -0.613 108.184 108.800 -0.005 0.000 2.402 918 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.216 918 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.216 918 G C 1.494 176.461 174.900 0.113 0.000 1.162 918 G CA 0.743 45.833 45.100 -0.016 0.000 0.777 918 G HN 0.462 nan 8.290 nan 0.000 0.539 919 Q N 0.188 120.123 119.800 0.226 0.000 2.020 919 Q HA -0.148 4.190 4.340 -0.003 0.000 0.202 919 Q C 2.755 178.903 176.000 0.247 0.000 0.982 919 Q CA 1.678 57.716 55.803 0.391 0.000 0.838 919 Q CB -0.244 28.781 28.738 0.478 0.000 0.899 919 Q HN 0.651 nan 8.270 nan 0.000 0.423 920 R N 0.550 121.006 120.500 -0.073 0.000 2.115 920 R HA -0.094 4.244 4.340 -0.003 0.000 0.230 920 R C 2.104 178.076 176.300 -0.546 0.000 1.111 920 R CA 1.146 56.914 56.100 -0.552 0.000 0.976 920 R CB -0.612 28.942 30.300 -1.243 0.000 0.870 920 R HN 0.188 nan 8.270 nan 0.000 0.445 921 L N 0.047 120.892 121.223 -0.630 0.000 2.046 921 L HA -0.154 4.185 4.340 -0.003 0.000 0.208 921 L C 2.259 178.570 176.870 -0.932 0.000 1.077 921 L CA 1.454 55.781 54.840 -0.855 0.000 0.747 921 L CB -0.590 40.929 42.059 -0.899 0.000 0.896 921 L HN 0.107 nan 8.230 nan 0.000 0.432 922 Y N 0.416 120.579 120.300 -0.229 0.000 2.224 922 Y HA -0.278 4.270 4.550 -0.003 0.000 0.289 922 Y C 2.814 178.678 175.900 -0.060 0.000 1.146 922 Y CA 1.340 59.478 58.100 0.063 0.000 1.182 922 Y CB -0.425 38.106 38.460 0.119 0.000 0.983 922 Y HN 0.237 nan 8.280 nan 0.000 0.524 923 Q N -0.269 119.526 119.800 -0.008 0.000 2.084 923 Q HA -0.280 4.058 4.340 -0.003 0.000 0.202 923 Q C 2.292 178.163 176.000 -0.214 0.000 0.978 923 Q CA 1.717 57.465 55.803 -0.093 0.000 0.844 923 Q CB -0.283 28.363 28.738 -0.152 0.000 0.898 923 Q HN 0.566 nan 8.270 nan 0.000 0.426 924 Q N -0.106 119.539 119.800 -0.259 0.000 2.084 924 Q HA -0.201 4.137 4.340 -0.003 0.000 0.202 924 Q C 1.549 177.359 176.000 -0.316 0.000 0.978 924 Q CA 1.357 56.937 55.803 -0.371 0.000 0.844 924 Q CB 0.007 28.623 28.738 -0.203 0.000 0.898 924 Q HN 0.414 nan 8.270 nan 0.000 0.426 925 Y N 0.182 120.550 120.300 0.113 0.000 2.224 925 Y HA -0.148 4.400 4.550 -0.003 0.000 0.289 925 Y C 2.539 178.451 175.900 0.019 0.000 1.146 925 Y CA 1.528 59.774 58.100 0.243 0.000 1.182 925 Y CB -0.922 37.518 38.460 -0.034 0.000 0.983 925 Y HN 0.119 nan 8.280 nan 0.000 0.524 926 T N -0.945 113.639 114.554 0.049 0.000 2.788 926 T HA -0.205 4.143 4.350 -0.003 0.000 0.268 926 T C 2.124 176.690 174.700 -0.224 0.000 1.044 926 T CA 1.596 63.646 62.100 -0.083 0.000 1.139 926 T CB -0.822 67.967 68.868 -0.132 0.000 0.867 926 T HN 0.437 nan 8.240 nan 0.000 0.454 927 C N 0.474 119.566 119.300 -0.346 0.000 2.429 927 C HA -0.049 4.410 4.460 -0.003 0.000 0.277 927 C C 2.384 177.202 174.990 -0.288 0.000 1.262 927 C CA 0.004 58.758 59.018 -0.440 0.000 1.733 927 C CB -1.415 25.950 27.740 -0.625 0.000 2.010 927 C HN 0.573 nan 8.230 nan 0.000 0.483 928 Y N 1.494 121.705 120.300 -0.148 0.000 2.165 928 Y HA -0.208 4.340 4.550 -0.003 0.000 0.286 928 Y C 2.786 178.660 175.900 -0.044 0.000 1.155 928 Y CA 2.022 60.040 58.100 -0.138 0.000 1.164 928 Y CB -1.341 36.975 38.460 -0.240 0.000 0.978 928 Y HN 0.293 nan 8.280 nan 0.000 0.513 929 T N -0.281 114.310 114.554 0.061 0.000 2.777 929 T HA -0.164 4.184 4.350 -0.003 0.000 0.266 929 T C 2.165 176.967 174.700 0.171 0.000 1.040 929 T CA 1.762 63.984 62.100 0.203 0.000 1.141 929 T CB -0.811 68.145 68.868 0.147 0.000 0.868 929 T HN 0.372 nan 8.240 nan 0.000 0.444 930 V N -0.607 119.277 119.914 -0.050 0.000 2.515 930 V HA -0.015 4.103 4.120 -0.003 0.000 0.250 930 V C 2.074 178.122 176.094 -0.078 0.000 1.058 930 V CA 1.225 63.428 62.300 -0.161 0.000 1.064 930 V CB -1.242 30.372 31.823 -0.348 0.000 0.675 930 V HN 0.335 nan 8.190 nan 0.000 0.461 931 F N 0.915 120.790 119.950 -0.126 0.000 2.102 931 F HA -0.058 4.467 4.527 -0.003 0.000 0.298 931 F C 2.119 177.890 175.800 -0.047 0.000 1.105 931 F CA 2.071 59.987 58.000 -0.140 0.000 1.239 931 F CB -0.421 38.467 39.000 -0.187 0.000 0.991 931 F HN 0.216 nan 8.300 nan 0.000 0.474 932 F N 0.886 120.959 119.950 0.206 0.000 2.091 932 F HA -0.256 4.269 4.527 -0.003 0.000 0.299 932 F C 2.045 177.867 175.800 0.037 0.000 1.103 932 F CA 1.998 60.109 58.000 0.185 0.000 1.228 932 F CB -0.660 38.537 39.000 0.329 0.000 0.984 932 F HN -0.036 nan 8.300 nan 0.000 0.477 933 I N 0.201 120.798 120.570 0.045 0.000 2.286 933 I HA -0.306 3.862 4.170 -0.003 0.000 0.248 933 I C 2.668 178.669 176.117 -0.193 0.000 1.115 933 I CA 1.367 62.603 61.300 -0.108 0.000 1.392 933 I CB -0.793 37.088 38.000 -0.199 0.000 1.065 933 I HN 0.327 nan 8.210 nan 0.000 0.418 934 S N 1.529 117.078 115.700 -0.250 0.000 2.370 934 S HA -0.178 4.290 4.470 -0.003 0.000 0.226 934 S C 1.984 176.410 174.600 -0.290 0.000 1.033 934 S CA 1.113 59.142 58.200 -0.284 0.000 1.011 934 S CB -0.925 61.992 63.200 -0.473 0.000 0.852 934 S HN 0.436 nan 8.310 nan 0.000 0.457 935 I N 3.260 123.611 120.570 -0.366 0.000 2.226 935 I HA -0.234 3.934 4.170 -0.003 0.000 0.245 935 I C 2.947 178.916 176.117 -0.246 0.000 1.100 935 I CA 1.875 62.989 61.300 -0.310 0.000 1.374 935 I CB -0.710 37.107 38.000 -0.305 0.000 1.057 935 I HN 0.575 nan 8.210 nan 0.000 0.413 936 E N 1.447 121.471 120.200 -0.293 0.000 2.085 936 E HA -0.267 4.081 4.350 -0.003 0.000 0.194 936 E C 2.242 178.816 176.600 -0.044 0.000 0.994 936 E CA 1.366 57.670 56.400 -0.161 0.000 0.801 936 E CB -0.424 29.201 29.700 -0.126 0.000 0.743 936 E HN 0.467 nan 8.360 nan 0.000 0.453 937 M N 0.579 120.165 119.600 -0.024 0.000 2.159 937 M HA -0.125 4.353 4.480 -0.003 0.000 0.263 937 M C 2.310 178.625 176.300 0.024 0.000 1.063 937 M CA 1.264 56.587 55.300 0.037 0.000 1.110 937 M CB -0.315 32.331 32.600 0.076 0.000 1.374 937 M HN 0.365 nan 8.290 nan 0.000 0.411 938 C N -0.520 118.769 119.300 -0.017 0.000 2.446 938 C HA -0.084 4.374 4.460 -0.003 0.000 0.279 938 C C 2.572 177.565 174.990 0.005 0.000 1.366 938 C CA 0.515 59.533 59.018 -0.000 0.000 1.763 938 C CB -0.913 26.797 27.740 -0.049 0.000 1.929 938 C HN 0.522 nan 8.230 nan 0.000 0.509 939 Q N 0.844 120.633 119.800 -0.019 0.000 2.230 939 Q HA -0.043 4.295 4.340 -0.003 0.000 0.202 939 Q C 1.858 177.940 176.000 0.137 0.000 0.963 939 Q CA 1.000 56.816 55.803 0.021 0.000 0.866 939 Q CB -0.422 28.304 28.738 -0.019 0.000 0.931 939 Q HN 0.599 nan 8.270 nan 0.000 0.452 940 I N -0.000 120.620 120.570 0.084 0.000 2.226 940 I HA -0.199 3.969 4.170 -0.003 0.000 0.245 940 I C 1.806 177.968 176.117 0.075 0.000 1.100 940 I CA 1.594 62.937 61.300 0.071 0.000 1.374 940 I CB -0.740 37.273 38.000 0.023 0.000 1.057 940 I HN 0.212 nan 8.210 nan 0.000 0.413 941 A N -0.446 122.429 122.820 0.092 0.000 1.877 941 A HA -0.262 4.056 4.320 -0.003 0.000 0.216 941 A C 2.155 179.836 177.584 0.161 0.000 1.186 941 A CA 2.033 54.155 52.037 0.142 0.000 0.620 941 A CB -1.047 18.051 19.000 0.164 0.000 0.822 941 A HN 0.500 nan 8.150 nan 0.000 0.443 942 D N -0.363 120.133 120.400 0.159 0.000 2.149 942 D HA -0.117 4.522 4.640 -0.003 0.000 0.198 942 D C 1.866 178.344 176.300 0.297 0.000 0.990 942 D CA 1.400 55.521 54.000 0.203 0.000 0.839 942 D CB -0.132 40.742 40.800 0.124 0.000 0.948 942 D HN 0.159 nan 8.370 nan 0.000 0.460 943 V N 0.478 120.573 119.914 0.301 0.000 2.295 943 V HA -0.225 3.893 4.120 -0.003 0.000 0.246 943 V C 2.700 178.832 176.094 0.063 0.000 1.049 943 V CA 1.274 63.661 62.300 0.145 0.000 1.024 943 V CB -0.475 31.376 31.823 0.046 0.000 0.648 943 V HN 0.289 nan 8.190 nan 0.000 0.447 944 L N 0.015 121.271 121.223 0.054 0.000 2.056 944 L HA -0.151 4.187 4.340 -0.003 0.000 0.207 944 L C 2.451 179.357 176.870 0.061 0.000 1.078 944 L CA 1.981 56.837 54.840 0.026 0.000 0.749 944 L CB -0.640 41.423 42.059 0.006 0.000 0.901 944 L HN 0.446 nan 8.230 nan 0.000 0.433 945 I N -2.453 118.156 120.570 0.065 0.000 2.353 945 I HA -0.184 3.984 4.170 -0.003 0.000 0.248 945 I C 2.648 178.802 176.117 0.062 0.000 1.119 945 I CA 1.074 62.383 61.300 0.014 0.000 1.417 945 I CB -0.351 37.678 38.000 0.048 0.000 1.078 945 I HN 0.042 nan 8.210 nan 0.000 0.421 946 R N 1.836 122.404 120.500 0.113 0.000 2.237 946 R HA -0.021 4.317 4.340 -0.003 0.000 0.219 946 R C 2.001 178.305 176.300 0.007 0.000 1.080 946 R CA 1.163 57.326 56.100 0.105 0.000 0.995 946 R CB -0.409 30.000 30.300 0.181 0.000 0.875 946 R HN 0.414 nan 8.270 nan 0.000 0.462 947 K N -0.623 119.784 120.400 0.012 0.000 2.152 947 K HA -0.064 4.254 4.320 -0.003 0.000 0.206 947 K C 0.243 176.829 176.600 -0.023 0.000 1.048 947 K CA 1.567 57.855 56.287 0.002 0.000 0.933 947 K CB -0.003 32.527 32.500 0.050 0.000 0.721 947 K HN 0.331 nan 8.250 nan 0.000 0.447 948 T N -2.885 111.648 114.554 -0.035 0.000 2.912 948 T HA 0.401 4.750 4.350 -0.003 0.000 0.299 948 T C 0.307 174.935 174.700 -0.119 0.000 1.052 948 T CA -1.038 61.027 62.100 -0.058 0.000 0.996 948 T CB 2.493 71.362 68.868 0.001 0.000 1.070 948 T HN -0.089 nan 8.240 nan 0.000 0.465 949 R N 0.542 120.923 120.500 -0.198 0.000 2.057 949 R HA 0.232 4.571 4.340 -0.003 0.000 0.224 949 R C 2.563 178.905 176.300 0.069 0.000 1.136 949 R CA 0.701 56.643 56.100 -0.263 0.000 0.968 949 R CB -0.006 29.963 30.300 -0.551 0.000 0.863 949 R HN 0.630 nan 8.270 nan 0.000 0.433 950 R N 0.180 120.769 120.500 0.148 0.000 2.103 950 R HA 0.170 4.508 4.340 -0.003 0.000 0.212 950 R C 0.311 176.655 176.300 0.072 0.000 1.107 950 R CA 0.153 56.353 56.100 0.168 0.000 1.025 950 R CB 0.179 30.570 30.300 0.152 0.000 0.929 950 R HN 0.002 nan 8.270 nan 0.000 0.456 951 L N 1.316 122.574 121.223 0.058 0.000 2.464 951 L HA 0.122 4.460 4.340 -0.003 0.000 0.264 951 L C 0.590 177.504 176.870 0.073 0.000 1.199 951 L CA -0.247 54.630 54.840 0.061 0.000 0.818 951 L CB 1.225 43.323 42.059 0.065 0.000 1.102 951 L HN 0.132 nan 8.230 nan 0.000 0.473 952 S N 0.528 116.297 115.700 0.115 0.000 2.592 952 S HA 0.301 4.769 4.470 -0.003 0.000 0.271 952 S C 1.024 175.762 174.600 0.230 0.000 1.326 952 S CA -0.017 58.301 58.200 0.196 0.000 1.024 952 S CB 1.543 64.921 63.200 0.295 0.000 0.921 952 S HN 0.667 nan 8.310 nan 0.000 0.527 953 A N 4.010 126.977 122.820 0.245 0.000 1.972 953 A HA 0.039 4.357 4.320 -0.003 0.000 0.219 953 A C 1.618 179.304 177.584 0.171 0.000 1.169 953 A CA 1.414 53.576 52.037 0.208 0.000 0.635 953 A CB -0.876 18.292 19.000 0.280 0.000 0.810 953 A HN 0.850 nan 8.150 nan 0.000 0.446 954 F N 0.098 120.202 119.950 0.257 0.000 2.102 954 F HA -0.210 4.315 4.527 -0.003 0.000 0.298 954 F C 2.793 178.677 175.800 0.140 0.000 1.105 954 F CA 1.947 60.075 58.000 0.213 0.000 1.239 954 F CB -0.660 38.437 39.000 0.161 0.000 0.991 954 F HN 0.267 nan 8.300 nan 0.000 0.474 955 Q N -0.399 119.585 119.800 0.307 0.000 2.046 955 Q HA -0.253 4.086 4.340 -0.003 0.000 0.200 955 Q C 2.209 178.285 176.000 0.127 0.000 0.975 955 Q CA 1.615 57.524 55.803 0.176 0.000 0.836 955 Q CB -0.378 28.438 28.738 0.131 0.000 0.896 955 Q HN 0.347 nan 8.270 nan 0.000 0.428 956 Q N 0.222 120.097 119.800 0.125 0.000 2.119 956 Q HA -0.015 4.323 4.340 -0.003 0.000 0.201 956 Q C -0.047 176.006 176.000 0.088 0.000 0.972 956 Q CA 1.158 57.017 55.803 0.093 0.000 0.847 956 Q CB 0.018 28.810 28.738 0.091 0.000 0.903 956 Q HN 0.406 nan 8.270 nan 0.000 0.433 957 G N 0.033 108.900 108.800 0.112 0.000 3.316 957 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.445 957 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.445 957 G C -0.016 174.901 174.900 0.028 0.000 1.002 957 G CA -0.019 45.141 45.100 0.100 0.000 0.818 957 G HN 0.545 nan 8.290 nan 0.000 0.404 958 F N 1.508 121.472 119.950 0.023 0.000 2.365 958 F HA 0.213 4.738 4.527 -0.003 0.000 0.300 958 F C 2.045 177.773 175.800 -0.119 0.000 1.090 958 F CA 0.839 58.767 58.000 -0.119 0.000 1.408 958 F CB -0.555 38.296 39.000 -0.248 0.000 1.060 958 F HN 0.320 nan 8.300 nan 0.000 0.534 959 F N 1.271 120.717 119.950 -0.840 0.000 2.171 959 F HA -0.067 4.458 4.527 -0.003 0.000 0.300 959 F C 2.581 178.263 175.800 -0.197 0.000 1.090 959 F CA 1.453 59.090 58.000 -0.605 0.000 1.293 959 F CB -0.784 37.836 39.000 -0.632 0.000 1.013 959 F HN -0.131 nan 8.300 nan 0.000 0.486 960 R N -0.053 120.483 120.500 0.060 0.000 2.091 960 R HA -0.156 4.182 4.340 -0.003 0.000 0.238 960 R C 0.760 177.093 176.300 0.056 0.000 1.136 960 R CA 0.949 57.080 56.100 0.052 0.000 0.959 960 R CB -0.758 29.567 30.300 0.042 0.000 0.856 960 R HN 0.097 nan 8.270 nan 0.000 0.437 961 N N 1.798 120.536 118.700 0.063 0.000 2.412 961 N HA -0.052 4.686 4.740 -0.003 0.000 0.279 961 N C 0.449 175.976 175.510 0.029 0.000 1.287 961 N CA 0.383 53.468 53.050 0.060 0.000 0.948 961 N CB 0.512 39.043 38.487 0.074 0.000 1.255 961 N HN 0.108 nan 8.380 nan 0.000 0.485 962 R N 3.025 123.525 120.500 -0.000 0.000 2.092 962 R HA -0.023 4.315 4.340 -0.003 0.000 0.231 962 R C 1.804 178.064 176.300 -0.066 0.000 1.119 962 R CA 0.580 56.670 56.100 -0.016 0.000 0.970 962 R CB -0.070 30.218 30.300 -0.020 0.000 0.864 962 R HN 0.521 nan 8.270 nan 0.000 0.440 963 I N 1.213 121.666 120.570 -0.196 0.000 2.315 963 I HA -0.192 3.976 4.170 -0.003 0.000 0.248 963 I C 1.946 177.989 176.117 -0.122 0.000 1.117 963 I CA 1.196 62.319 61.300 -0.296 0.000 1.404 963 I CB -0.422 37.080 38.000 -0.831 0.000 1.071 963 I HN 0.158 nan 8.210 nan 0.000 0.419 964 L N 0.122 121.302 121.223 -0.071 0.000 2.017 964 L HA -0.166 4.172 4.340 -0.003 0.000 0.208 964 L C 2.534 179.413 176.870 0.015 0.000 1.073 964 L CA 1.601 56.431 54.840 -0.017 0.000 0.745 964 L CB -0.700 41.364 42.059 0.009 0.000 0.894 964 L HN 0.083 nan 8.230 nan 0.000 0.432 965 V N -0.260 119.673 119.914 0.032 0.000 2.407 965 V HA -0.274 3.844 4.120 -0.003 0.000 0.248 965 V C 2.396 178.524 176.094 0.057 0.000 1.055 965 V CA 2.079 64.408 62.300 0.048 0.000 1.049 965 V CB -0.263 31.599 31.823 0.066 0.000 0.662 965 V HN 0.489 nan 8.190 nan 0.000 0.455 966 I N 0.502 121.118 120.570 0.077 0.000 2.264 966 I HA -0.230 3.938 4.170 -0.003 0.000 0.248 966 I C 2.687 178.945 176.117 0.234 0.000 1.111 966 I CA 1.495 62.905 61.300 0.183 0.000 1.382 966 I CB -0.699 37.389 38.000 0.147 0.000 1.060 966 I HN 0.383 nan 8.210 nan 0.000 0.418 967 A N 0.854 123.756 122.820 0.135 0.000 1.902 967 A HA -0.224 4.094 4.320 -0.003 0.000 0.217 967 A C 2.426 180.080 177.584 0.117 0.000 1.181 967 A CA 1.654 53.781 52.037 0.150 0.000 0.623 967 A CB -0.775 18.291 19.000 0.110 0.000 0.818 967 A HN 0.492 nan 8.150 nan 0.000 0.443 968 I N -0.376 120.233 120.570 0.065 0.000 2.179 968 I HA -0.193 3.975 4.170 -0.003 0.000 0.242 968 I C 2.172 178.290 176.117 0.002 0.000 1.088 968 I CA 1.540 62.861 61.300 0.036 0.000 1.357 968 I CB -0.047 37.954 38.000 0.002 0.000 1.051 968 I HN 0.176 nan 8.210 nan 0.000 0.409 969 V N 0.904 120.787 119.914 -0.052 0.000 2.295 969 V HA -0.296 3.823 4.120 -0.003 0.000 0.246 969 V C 2.254 178.178 176.094 -0.283 0.000 1.049 969 V CA 2.119 64.299 62.300 -0.201 0.000 1.024 969 V CB -0.922 30.698 31.823 -0.340 0.000 0.648 969 V HN 0.336 nan 8.190 nan 0.000 0.447 970 F N 0.115 119.992 119.950 -0.121 0.000 2.186 970 F HA -0.168 4.357 4.527 -0.003 0.000 0.299 970 F C 2.646 178.371 175.800 -0.125 0.000 1.090 970 F CA 1.928 59.811 58.000 -0.195 0.000 1.307 970 F CB -0.493 38.244 39.000 -0.438 0.000 1.019 970 F HN 0.125 nan 8.300 nan 0.000 0.489 971 Q N 0.192 120.050 119.800 0.097 0.000 2.050 971 Q HA -0.201 4.137 4.340 -0.003 0.000 0.202 971 Q C 2.402 178.480 176.000 0.130 0.000 0.980 971 Q CA 1.904 57.785 55.803 0.130 0.000 0.840 971 Q CB -0.446 28.378 28.738 0.145 0.000 0.898 971 Q HN 0.333 nan 8.270 nan 0.000 0.424 972 V N 0.280 120.245 119.914 0.084 0.000 2.427 972 V HA -0.234 3.884 4.120 -0.003 0.000 0.248 972 V C 2.318 178.483 176.094 0.119 0.000 1.051 972 V CA 1.977 64.344 62.300 0.112 0.000 1.048 972 V CB -0.353 31.496 31.823 0.044 0.000 0.666 972 V HN 0.770 nan 8.190 nan 0.000 0.456 973 C N 0.152 119.473 119.300 0.036 0.000 2.425 973 C HA -0.123 4.335 4.460 -0.003 0.000 0.277 973 C C 2.485 177.575 174.990 0.167 0.000 1.280 973 C CA 1.064 60.112 59.018 0.050 0.000 1.744 973 C CB -1.155 26.554 27.740 -0.051 0.000 1.989 973 C HN 0.585 nan 8.230 nan 0.000 0.491 974 I N 1.483 122.146 120.570 0.156 0.000 2.179 974 I HA -0.054 4.114 4.170 -0.003 0.000 0.242 974 I C 2.801 179.056 176.117 0.230 0.000 1.088 974 I CA 2.023 63.425 61.300 0.171 0.000 1.357 974 I CB -2.071 36.023 38.000 0.157 0.000 1.051 974 I HN 0.502 nan 8.210 nan 0.000 0.409 975 G N 0.146 109.122 108.800 0.292 0.000 2.418 975 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.217 975 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.217 975 G C 1.828 176.935 174.900 0.346 0.000 1.158 975 G CA 0.965 46.282 45.100 0.363 0.000 0.771 975 G HN 0.407 nan 8.290 nan 0.000 0.545 976 C N -0.311 119.261 119.300 0.454 0.000 2.425 976 C HA 0.030 4.488 4.460 -0.003 0.000 0.277 976 C C 2.397 177.660 174.990 0.454 0.000 1.280 976 C CA 0.487 59.855 59.018 0.583 0.000 1.744 976 C CB -1.214 26.740 27.740 0.356 0.000 1.989 976 C HN 0.431 nan 8.230 nan 0.000 0.491 977 F N 1.023 121.078 119.950 0.175 0.000 2.102 977 F HA -0.120 4.405 4.527 -0.003 0.000 0.298 977 F C 2.133 177.939 175.800 0.009 0.000 1.105 977 F CA 1.531 59.588 58.000 0.095 0.000 1.239 977 F CB -0.480 38.539 39.000 0.033 0.000 0.991 977 F HN 0.090 nan 8.300 nan 0.000 0.474 978 L N -0.280 121.007 121.223 0.107 0.000 2.083 978 L HA -0.222 4.116 4.340 -0.003 0.000 0.209 978 L C 2.316 179.056 176.870 -0.217 0.000 1.083 978 L CA 1.708 56.389 54.840 -0.264 0.000 0.752 978 L CB -1.014 40.528 42.059 -0.861 0.000 0.899 978 L HN 0.306 nan 8.230 nan 0.000 0.433 979 C N -1.543 117.687 119.300 -0.117 0.000 2.473 979 C HA -0.142 4.316 4.460 -0.003 0.000 0.279 979 C C 2.490 177.349 174.990 -0.218 0.000 1.250 979 C CA 0.614 59.542 59.018 -0.150 0.000 1.713 979 C CB -1.179 26.418 27.740 -0.238 0.000 2.066 979 C HN 0.561 nan 8.230 nan 0.000 0.474 980 Y N -0.040 120.238 120.300 -0.036 0.000 2.286 980 Y HA 0.034 4.582 4.550 -0.003 0.000 0.293 980 Y C 1.964 177.766 175.900 -0.163 0.000 1.124 980 Y CA 0.623 58.673 58.100 -0.085 0.000 1.178 980 Y CB -0.726 37.670 38.460 -0.106 0.000 1.010 980 Y HN 0.296 nan 8.280 nan 0.000 0.536 981 C N 4.258 123.463 119.300 -0.158 0.000 2.653 981 C HA 0.174 4.632 4.460 -0.003 0.000 0.421 981 C C -1.933 173.020 174.990 -0.062 0.000 1.334 981 C CA -1.931 56.940 59.018 -0.244 0.000 1.885 981 C CB -0.282 27.175 27.740 -0.470 0.000 2.645 981 C HN 0.151 nan 8.230 nan 0.000 0.601 982 P HA 0.342 nan 4.420 nan 0.000 0.275 982 P C 0.564 177.887 177.300 0.038 0.000 1.227 982 P CA 1.354 64.461 63.100 0.011 0.000 0.781 982 P CB 0.925 32.632 31.700 0.012 0.000 0.906 983 G N 2.055 110.882 108.800 0.044 0.000 2.279 983 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.223 983 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.223 983 G C 0.914 175.859 174.900 0.076 0.000 1.015 983 G CA 0.357 45.489 45.100 0.053 0.000 0.621 983 G HN 0.393 nan 8.290 nan 0.000 0.506 984 M N 1.416 121.078 119.600 0.104 0.000 2.296 984 M HA 0.119 4.597 4.480 -0.003 0.000 0.265 984 M C -0.222 176.154 176.300 0.126 0.000 1.064 984 M CA 1.987 57.385 55.300 0.162 0.000 1.109 984 M CB -0.937 31.727 32.600 0.107 0.000 1.396 984 M HN 0.315 nan 8.290 nan 0.000 0.430 985 P HA -0.071 nan 4.420 nan 0.000 0.219 985 P C 0.911 178.182 177.300 -0.048 0.000 1.150 985 P CA 1.391 64.507 63.100 0.026 0.000 0.814 985 P CB -0.050 31.684 31.700 0.055 0.000 0.787 986 N N -0.278 118.397 118.700 -0.041 0.000 2.220 986 N HA 0.005 4.743 4.740 -0.003 0.000 0.182 986 N C 1.805 177.212 175.510 -0.173 0.000 1.023 986 N CA 0.644 53.634 53.050 -0.100 0.000 0.856 986 N CB -0.592 37.858 38.487 -0.062 0.000 0.997 986 N HN -0.051 nan 8.380 nan 0.000 0.429 987 I N -1.087 119.386 120.570 -0.162 0.000 2.252 987 I HA -0.160 4.008 4.170 -0.003 0.000 0.245 987 I C 0.530 176.231 176.117 -0.694 0.000 1.102 987 I CA 1.153 62.224 61.300 -0.383 0.000 1.385 987 I CB -0.055 37.779 38.000 -0.276 0.000 1.064 987 I HN 0.095 nan 8.210 nan 0.000 0.414 988 F N -0.423 119.489 119.950 -0.063 0.000 2.724 988 F HA 0.249 4.774 4.527 -0.003 0.000 0.310 988 F C 0.778 176.475 175.800 -0.172 0.000 1.107 988 F CA -0.383 57.587 58.000 -0.051 0.000 1.218 988 F CB -0.099 38.891 39.000 -0.017 0.000 1.042 988 F HN -0.008 nan 8.300 nan 0.000 0.540 989 N N 0.702 119.308 118.700 -0.157 0.000 2.747 989 N HA -0.276 4.463 4.740 -0.003 0.000 0.249 989 N C -0.951 174.307 175.510 -0.419 0.000 1.107 989 N CA 0.397 53.208 53.050 -0.398 0.000 0.707 989 N CB -1.697 36.425 38.487 -0.608 0.000 1.054 989 N HN 0.193 nan 8.380 nan 0.000 0.555 990 F N 0.159 120.038 119.950 -0.118 0.000 2.420 990 F HA 0.555 5.080 4.527 -0.003 0.000 0.342 990 F C 0.863 176.617 175.800 -0.076 0.000 1.113 990 F CA -0.710 57.220 58.000 -0.117 0.000 1.059 990 F CB 1.357 40.231 39.000 -0.209 0.000 1.128 990 F HN 0.058 nan 8.300 nan 0.000 0.475 991 M N 6.165 125.821 119.600 0.093 0.000 2.644 991 M HA 0.555 5.033 4.480 -0.003 0.000 0.316 991 M C -2.546 173.734 176.300 -0.033 0.000 1.200 991 M CA -2.586 52.744 55.300 0.050 0.000 0.944 991 M CB 1.647 34.294 32.600 0.078 0.000 1.691 991 M HN 0.130 nan 8.290 nan 0.000 0.471 992 P HA 0.241 nan 4.420 nan 0.000 0.275 992 P C -1.248 175.962 177.300 -0.149 0.000 1.228 992 P CA -0.208 62.752 63.100 -0.233 0.000 0.786 992 P CB 0.065 31.653 31.700 -0.186 0.000 0.927 993 I N -0.629 119.795 120.570 -0.242 0.000 2.474 993 I HA 0.520 4.688 4.170 -0.003 0.000 0.294 993 I C 0.117 176.281 176.117 0.079 0.000 1.005 993 I CA -1.542 59.771 61.300 0.023 0.000 1.113 993 I CB 1.396 39.269 38.000 -0.213 0.000 1.289 993 I HN 0.277 nan 8.210 nan 0.000 0.436 994 R N 3.059 123.679 120.500 0.200 0.000 2.738 994 R HA 0.242 4.580 4.340 -0.003 0.000 0.268 994 R C 0.480 176.774 176.300 -0.011 0.000 1.062 994 R CA -0.101 55.945 56.100 -0.089 0.000 1.158 994 R CB 0.499 30.548 30.300 -0.418 0.000 1.046 994 R HN 0.574 nan 8.270 nan 0.000 0.493 995 F N 0.713 120.773 119.950 0.184 0.000 2.161 995 F HA -0.257 4.268 4.527 -0.003 0.000 0.300 995 F C 2.712 178.679 175.800 0.278 0.000 1.089 995 F CA 1.485 59.705 58.000 0.366 0.000 1.282 995 F CB -0.327 38.761 39.000 0.145 0.000 1.010 995 F HN 0.627 nan 8.300 nan 0.000 0.485 996 Q N -0.406 119.474 119.800 0.132 0.000 2.135 996 Q HA -0.238 4.100 4.340 -0.003 0.000 0.204 996 Q C 2.045 178.077 176.000 0.054 0.000 0.981 996 Q CA 2.052 57.840 55.803 -0.024 0.000 0.856 996 Q CB -0.458 28.084 28.738 -0.327 0.000 0.902 996 Q HN 0.621 nan 8.270 nan 0.000 0.425 997 W N -0.887 120.483 121.300 0.115 0.000 2.392 997 W HA -0.174 4.484 4.660 -0.003 0.000 0.279 997 W C 1.465 177.957 176.519 -0.045 0.000 1.225 997 W CA -0.193 57.132 57.345 -0.033 0.000 1.233 997 W CB -0.332 29.009 29.460 -0.199 0.000 1.122 997 W HN 0.294 nan 8.180 nan 0.000 0.561 998 W N -0.305 121.152 121.300 0.261 0.000 2.374 998 W HA -0.134 4.524 4.660 -0.003 0.000 0.288 998 W C 1.879 178.492 176.519 0.157 0.000 1.218 998 W CA 0.446 57.901 57.345 0.184 0.000 1.245 998 W CB -0.994 28.557 29.460 0.152 0.000 1.126 998 W HN -0.194 nan 8.180 nan 0.000 0.545 999 L N -0.639 120.803 121.223 0.364 0.000 2.291 999 L HA -0.111 4.227 4.340 -0.003 0.000 0.214 999 L C 2.168 179.178 176.870 0.234 0.000 1.120 999 L CA 0.901 55.897 54.840 0.260 0.000 0.799 999 L CB -1.464 40.718 42.059 0.206 0.000 0.925 999 L HN -0.161 nan 8.230 nan 0.000 0.446 1000 V N 0.828 120.891 119.914 0.248 0.000 2.252 1000 V HA -0.210 3.908 4.120 -0.003 0.000 0.249 1000 V C -0.212 176.051 176.094 0.281 0.000 1.056 1000 V CA 2.160 64.611 62.300 0.252 0.000 1.022 1000 V CB -1.789 30.171 31.823 0.228 0.000 0.641 1000 V HN 0.393 nan 8.190 nan 0.000 0.445 1001 P HA -0.113 nan 4.420 nan 0.000 0.237 1001 P C 1.722 179.230 177.300 0.347 0.000 1.178 1001 P CA 1.106 64.364 63.100 0.264 0.000 0.766 1001 P CB -0.102 31.622 31.700 0.040 0.000 0.876 1002 M N 0.615 120.360 119.600 0.241 0.000 2.082 1002 M HA -0.102 4.376 4.480 -0.003 0.000 0.258 1002 M C -0.984 175.392 176.300 0.126 0.000 1.069 1002 M CA 2.643 58.041 55.300 0.164 0.000 1.102 1002 M CB -1.513 31.164 32.600 0.130 0.000 1.336 1002 M HN -0.090 nan 8.290 nan 0.000 0.404 1003 P HA -0.097 nan 4.420 nan 0.000 0.218 1003 P C 0.937 178.145 177.300 -0.154 0.000 1.149 1003 P CA 1.382 64.431 63.100 -0.085 0.000 0.817 1003 P CB -0.242 31.342 31.700 -0.193 0.000 0.785 1004 F N -0.500 119.480 119.950 0.051 0.000 2.186 1004 F HA 0.001 4.526 4.527 -0.003 0.000 0.299 1004 F C 2.566 178.392 175.800 0.044 0.000 1.090 1004 F CA 1.577 59.602 58.000 0.042 0.000 1.307 1004 F CB -1.537 37.486 39.000 0.037 0.000 1.019 1004 F HN -0.066 nan 8.300 nan 0.000 0.489 1005 G N 0.026 108.959 108.800 0.222 0.000 2.402 1005 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.216 1005 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.216 1005 G C 1.625 176.608 174.900 0.139 0.000 1.162 1005 G CA 0.816 46.007 45.100 0.151 0.000 0.777 1005 G HN 0.289 nan 8.290 nan 0.000 0.539 1006 L N -0.006 121.279 121.223 0.104 0.000 2.056 1006 L HA 0.115 4.453 4.340 -0.003 0.000 0.207 1006 L C 2.547 179.508 176.870 0.152 0.000 1.078 1006 L CA 1.292 56.194 54.840 0.103 0.000 0.749 1006 L CB -0.455 41.633 42.059 0.049 0.000 0.901 1006 L HN 0.108 nan 8.230 nan 0.000 0.433 1007 L N -0.529 120.753 121.223 0.098 0.000 2.083 1007 L HA -0.201 4.137 4.340 -0.003 0.000 0.209 1007 L C 2.376 179.355 176.870 0.182 0.000 1.083 1007 L CA 1.751 56.655 54.840 0.108 0.000 0.752 1007 L CB -0.694 41.376 42.059 0.019 0.000 0.899 1007 L HN 0.243 nan 8.230 nan 0.000 0.433 1008 I N -1.860 118.817 120.570 0.178 0.000 2.179 1008 I HA -0.350 3.818 4.170 -0.003 0.000 0.242 1008 I C 2.415 178.673 176.117 0.234 0.000 1.088 1008 I CA 1.370 62.786 61.300 0.194 0.000 1.357 1008 I CB -0.400 37.692 38.000 0.154 0.000 1.051 1008 I HN 0.168 nan 8.210 nan 0.000 0.409 1009 F N 1.325 121.342 119.950 0.111 0.000 2.095 1009 F HA -0.220 4.305 4.527 -0.003 0.000 0.298 1009 F C 2.364 178.236 175.800 0.120 0.000 1.104 1009 F CA 1.723 59.777 58.000 0.091 0.000 1.232 1009 F CB -0.294 38.723 39.000 0.029 0.000 0.987 1009 F HN -0.235 nan 8.300 nan 0.000 0.475 1010 V N -0.424 119.712 119.914 0.370 0.000 2.358 1010 V HA -0.313 3.805 4.120 -0.003 0.000 0.246 1010 V C 2.049 178.227 176.094 0.140 0.000 1.047 1010 V CA 2.131 64.593 62.300 0.269 0.000 1.035 1010 V CB -1.233 30.733 31.823 0.239 0.000 0.658 1010 V HN 0.546 nan 8.190 nan 0.000 0.452 1011 Y N 1.424 121.770 120.300 0.077 0.000 2.145 1011 Y HA -0.267 4.282 4.550 -0.003 0.000 0.286 1011 Y C 2.379 178.319 175.900 0.066 0.000 1.145 1011 Y CA 2.264 60.408 58.100 0.074 0.000 1.148 1011 Y CB -0.349 38.160 38.460 0.081 0.000 0.981 1011 Y HN 0.338 nan 8.280 nan 0.000 0.507 1012 D N -0.204 120.231 120.400 0.058 0.000 2.117 1012 D HA -0.174 4.464 4.640 -0.003 0.000 0.198 1012 D C 2.040 178.236 176.300 -0.173 0.000 0.982 1012 D CA 1.413 55.406 54.000 -0.012 0.000 0.828 1012 D CB -0.184 40.673 40.800 0.095 0.000 0.967 1012 D HN 0.463 nan 8.370 nan 0.000 0.464 1013 E N 0.133 120.191 120.200 -0.237 0.000 2.077 1013 E HA -0.114 4.234 4.350 -0.003 0.000 0.193 1013 E C 2.220 178.739 176.600 -0.135 0.000 0.989 1013 E CA 0.717 56.999 56.400 -0.197 0.000 0.800 1013 E CB -0.440 29.176 29.700 -0.139 0.000 0.746 1013 E HN 0.429 nan 8.360 nan 0.000 0.452 1014 I N 0.187 120.665 120.570 -0.153 0.000 2.252 1014 I HA -0.263 3.905 4.170 -0.003 0.000 0.245 1014 I C 2.575 178.513 176.117 -0.299 0.000 1.102 1014 I CA 1.225 62.417 61.300 -0.180 0.000 1.385 1014 I CB -0.141 37.771 38.000 -0.147 0.000 1.064 1014 I HN 0.113 nan 8.210 nan 0.000 0.414 1015 R N 1.161 121.429 120.500 -0.387 0.000 2.081 1015 R HA -0.220 4.118 4.340 -0.003 0.000 0.235 1015 R C 2.160 178.241 176.300 -0.365 0.000 1.131 1015 R CA 1.764 57.603 56.100 -0.436 0.000 0.960 1015 R CB -0.178 29.926 30.300 -0.326 0.000 0.856 1015 R HN 0.313 nan 8.270 nan 0.000 0.436 1016 K N 0.101 120.372 120.400 -0.215 0.000 2.148 1016 K HA -0.087 4.231 4.320 -0.003 0.000 0.204 1016 K C 2.022 178.531 176.600 -0.152 0.000 1.050 1016 K CA 0.916 57.126 56.287 -0.129 0.000 0.942 1016 K CB -0.051 32.412 32.500 -0.062 0.000 0.724 1016 K HN 0.081 nan 8.250 nan 0.000 0.446 1017 L N 0.425 121.541 121.223 -0.179 0.000 2.083 1017 L HA -0.100 4.238 4.340 -0.003 0.000 0.209 1017 L C 2.372 179.098 176.870 -0.239 0.000 1.083 1017 L CA 1.818 56.561 54.840 -0.162 0.000 0.752 1017 L CB -1.091 40.885 42.059 -0.139 0.000 0.899 1017 L HN 0.275 nan 8.230 nan 0.000 0.433 1018 G N -0.571 107.967 108.800 -0.437 0.000 2.418 1018 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.217 1018 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.217 1018 G C 1.702 176.361 174.900 -0.402 0.000 1.158 1018 G CA 1.270 45.955 45.100 -0.692 0.000 0.771 1018 G HN 0.374 nan 8.290 nan 0.000 0.545 1019 V N -0.543 119.210 119.914 -0.269 0.000 2.332 1019 V HA -0.118 4.000 4.120 -0.003 0.000 0.248 1019 V C 2.520 178.590 176.094 -0.040 0.000 1.055 1019 V CA 2.360 64.633 62.300 -0.045 0.000 1.038 1019 V CB -0.718 31.101 31.823 -0.006 0.000 0.651 1019 V HN 0.345 nan 8.190 nan 0.000 0.450 1020 R N -0.561 119.897 120.500 -0.069 0.000 2.073 1020 R HA -0.131 4.207 4.340 -0.003 0.000 0.234 1020 R C 2.325 178.607 176.300 -0.030 0.000 1.134 1020 R CA 2.288 58.359 56.100 -0.047 0.000 0.952 1020 R CB -0.703 29.571 30.300 -0.044 0.000 0.850 1020 R HN 0.660 nan 8.270 nan 0.000 0.433 1021 C N -0.287 118.989 119.300 -0.039 0.000 2.432 1021 C HA -0.056 4.403 4.460 -0.003 0.000 0.277 1021 C C 1.248 176.259 174.990 0.035 0.000 1.249 1021 C CA 0.065 59.078 59.018 -0.009 0.000 1.725 1021 C CB -0.311 27.418 27.740 -0.018 0.000 2.028 1021 C HN 0.535 nan 8.230 nan 0.000 0.477 1022 C N 1.717 121.066 119.300 0.081 0.000 2.317 1022 C HA 0.269 4.727 4.460 -0.003 0.000 0.306 1022 C C -0.808 174.249 174.990 0.112 0.000 1.087 1022 C CA -0.827 58.269 59.018 0.130 0.000 1.529 1022 C CB 0.049 27.935 27.740 0.244 0.000 1.880 1022 C HN 0.509 nan 8.230 nan 0.000 0.417 1023 P HA -0.049 nan 4.420 nan 0.000 0.217 1023 P C 1.601 178.915 177.300 0.022 0.000 1.151 1023 P CA 1.488 64.593 63.100 0.008 0.000 0.828 1023 P CB 0.235 31.923 31.700 -0.021 0.000 0.788 1024 G N -0.565 108.264 108.800 0.049 0.000 2.408 1024 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.217 1024 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.217 1024 G C 1.172 176.115 174.900 0.072 0.000 1.150 1024 G CA 0.634 45.764 45.100 0.050 0.000 0.776 1024 G HN 0.282 nan 8.290 nan 0.000 0.542 1025 S N -1.496 114.275 115.700 0.118 0.000 2.430 1025 S HA 0.271 4.739 4.470 -0.003 0.000 0.246 1025 S C 0.976 175.678 174.600 0.171 0.000 1.155 1025 S CA -0.297 57.989 58.200 0.142 0.000 1.054 1025 S CB -0.107 63.187 63.200 0.156 0.000 1.154 1025 S HN 0.418 nan 8.310 nan 0.000 0.482 1026 W N 1.224 122.507 121.300 -0.028 0.000 2.333 1026 W HA -0.086 4.572 4.660 -0.003 0.000 0.316 1026 W C 2.030 178.532 176.519 -0.029 0.000 1.215 1026 W CA 1.393 58.671 57.345 -0.111 0.000 1.278 1026 W CB -0.417 28.846 29.460 -0.328 0.000 1.154 1026 W HN 0.550 nan 8.180 nan 0.000 0.486 1027 W N 0.688 122.038 121.300 0.084 0.000 2.358 1027 W HA -0.198 4.460 4.660 -0.003 0.000 0.303 1027 W C 2.010 178.400 176.519 -0.214 0.000 1.208 1027 W CA 1.668 58.877 57.345 -0.226 0.000 1.274 1027 W CB -1.238 28.252 29.460 0.050 0.000 1.138 1027 W HN -0.031 nan 8.180 nan 0.000 0.515 1028 D N -0.296 120.206 120.400 0.169 0.000 2.117 1028 D HA -0.190 4.448 4.640 -0.003 0.000 0.198 1028 D C 2.013 178.350 176.300 0.061 0.000 0.982 1028 D CA 1.364 55.423 54.000 0.100 0.000 0.828 1028 D CB -0.495 40.294 40.800 -0.018 0.000 0.967 1028 D HN 0.282 nan 8.370 nan 0.000 0.464 1029 Q N 0.368 120.154 119.800 -0.023 0.000 2.050 1029 Q HA -0.170 4.168 4.340 -0.003 0.000 0.202 1029 Q C 1.774 177.715 176.000 -0.099 0.000 0.980 1029 Q CA 1.207 56.987 55.803 -0.038 0.000 0.840 1029 Q CB 0.267 28.976 28.738 -0.047 0.000 0.898 1029 Q HN 0.129 nan 8.270 nan 0.000 0.424 1030 E N 0.104 120.123 120.200 -0.302 0.000 2.021 1030 E HA -0.116 4.233 4.350 -0.003 0.000 0.189 1030 E C 2.019 178.531 176.600 -0.147 0.000 0.980 1030 E CA 0.868 57.086 56.400 -0.304 0.000 0.803 1030 E CB -0.085 29.237 29.700 -0.630 0.000 0.766 1030 E HN 0.313 nan 8.360 nan 0.000 0.449 1031 L N -0.414 120.734 121.223 -0.125 0.000 2.418 1031 L HA -0.016 4.322 4.340 -0.003 0.000 0.218 1031 L C 0.942 177.784 176.870 -0.047 0.000 1.125 1031 L CA 0.387 55.200 54.840 -0.045 0.000 0.835 1031 L CB -0.428 41.647 42.059 0.028 0.000 0.953 1031 L HN 0.065 nan 8.230 nan 0.000 0.454 1032 Y N 0.523 120.794 120.300 -0.048 0.000 2.627 1032 Y HA 0.248 4.796 4.550 -0.003 0.000 0.347 1032 Y C 0.164 176.143 175.900 0.132 0.000 1.099 1032 Y CA -1.423 56.717 58.100 0.067 0.000 1.408 1032 Y CB -0.956 37.551 38.460 0.077 0.000 1.247 1032 Y HN -0.001 nan 8.280 nan 0.000 0.506 1033 Y N 0.000 120.109 120.300 -0.318 0.000 2.660 1033 Y HA 0.000 4.548 4.550 -0.003 0.000 0.201 1033 Y CA 0.000 57.959 58.100 -0.234 0.000 1.940 1033 Y CB 0.000 38.252 38.460 -0.347 0.000 1.050 1033 Y HN 0.000 nan 8.280 nan 0.000 0.758