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 2fsi_1_B DATA FIRST_RESID 11 DATA SEQUENCE GSRNDRTLRR MRKVVNIINA MEPEMEKLSD EELKGKTAEF RARLEKGEVL DATA SEQUENCE ENLIPEAFAV VREASKRVFG MRHFDVQLLG GMVLNERCIA EMRTGEGKTL DATA SEQUENCE TATLPAYLNA LTGKGVHVVT VNDYLAQRDA ENNRPLFEFL GLTVGINLPG DATA SEQUENCE MPAPAKREAY AADITYGTNN EYGFDYLRDN MAFSPEERVQ RKLHYALVDE DATA SEQUENCE VDSILIDEAR TPLIISGPAE DSSEMYKRVN KIIPHLIRQX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXV LIEELLVKEG IMDEGESLYS PANIMLMHHV DATA SEQUENCE TAALRAHAXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXNENQ TLASITFQNY FRLYEKLAGM TGTADTEAFE FSSIYKLDTV DATA SEQUENCE VVPTNRPMIR KDLPDLVYMT EAEKIQAIIE DIKERTAKGQ PVLVGTISIE DATA SEQUENCE KSELVSNELT KAGIKHNVLN AKFHANEAAI VAQAGYPAAV TIATNMAGRG DATA SEQUENCE TDIVLGGSWQ AEVAALENPT AEQIEKIKAD WQVRHDAVLE AGGLHIIGTE DATA SEQUENCE RHESRRIDNQ LRGRSGRQGD AGSSRFYLSM EDALMRIFAS DRVSGMMRKL DATA SEQUENCE GMKPGEAIEH PWVTKAIANA QRKVESRNFD IRKQLLEYDD VANDQRRAIY DATA SEQUENCE SQRNELLDVS DVSETINSIR EDVFKATIDA YIPPQSLEEM WDIPGLQERL DATA SEQUENCE KNDFDLDLPI AEWLDKEPEL HEETLRERIL AQSIEVYQRK EEVVGAEMMR DATA SEQUENCE HFEKGVMLQT LDSLWKEHLA AMDYLRQGIH LRGYAQKDPK QEYKRESFSM DATA SEQUENCE FAAMLESLKY EVISTLSKVQ VRMPEE 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 11 G C 0.000 174.905 174.900 0.009 0.000 0.946 11 G CA 0.000 45.104 45.100 0.007 0.000 0.502 12 S N -0.768 114.938 115.700 0.010 0.000 3.055 12 S HA -0.301 4.171 4.470 0.002 0.000 0.628 12 S C 1.200 175.808 174.600 0.014 0.000 3.040 12 S CA 1.786 59.993 58.200 0.012 0.000 3.787 12 S CB -0.382 62.826 63.200 0.012 0.000 0.299 12 S HN 0.904 nan 8.310 nan 0.000 1.470 13 R N 0.497 121.006 120.500 0.016 0.000 2.242 13 R HA 0.419 4.761 4.340 0.002 0.000 0.138 13 R C 1.766 178.076 176.300 0.016 0.000 2.004 13 R CA 0.647 56.757 56.100 0.017 0.000 1.618 13 R CB -1.087 29.226 30.300 0.021 0.000 1.371 13 R HN 0.476 nan 8.270 nan 0.000 0.480 14 N N 1.419 120.130 118.700 0.018 0.000 2.188 14 N HA -0.136 4.605 4.740 0.002 0.000 0.184 14 N C 0.849 176.369 175.510 0.016 0.000 1.018 14 N CA 1.657 54.718 53.050 0.018 0.000 0.858 14 N CB -0.178 38.321 38.487 0.020 0.000 0.989 14 N HN 0.502 nan 8.380 nan 0.000 0.426 15 D N -0.321 120.088 120.400 0.016 0.000 2.144 15 D HA -0.171 4.470 4.640 0.002 0.000 0.199 15 D C 1.812 178.120 176.300 0.013 0.000 0.984 15 D CA 1.002 55.011 54.000 0.015 0.000 0.834 15 D CB -0.194 40.615 40.800 0.014 0.000 0.955 15 D HN 0.074 nan 8.370 nan 0.000 0.465 16 R N 0.436 120.943 120.500 0.012 0.000 2.100 16 R HA 0.076 4.418 4.340 0.002 0.000 0.220 16 R C 2.321 178.626 176.300 0.008 0.000 1.091 16 R CA 1.224 57.329 56.100 0.009 0.000 0.986 16 R CB -0.846 29.459 30.300 0.008 0.000 0.888 16 R HN 0.137 nan 8.270 nan 0.000 0.444 17 T N 1.060 115.620 114.554 0.009 0.000 2.665 17 T HA -0.147 4.204 4.350 0.002 0.000 0.268 17 T C 1.675 176.382 174.700 0.010 0.000 1.035 17 T CA 1.611 63.715 62.100 0.008 0.000 1.151 17 T CB -0.214 68.660 68.868 0.010 0.000 0.862 17 T HN 0.134 nan 8.240 nan 0.000 0.438 18 L N -0.042 121.190 121.223 0.014 0.000 2.109 18 L HA 0.012 4.353 4.340 0.002 0.000 0.207 18 L C 2.954 179.834 176.870 0.016 0.000 1.086 18 L CA 1.010 55.861 54.840 0.018 0.000 0.760 18 L CB -0.410 41.661 42.059 0.021 0.000 0.910 18 L HN 0.141 nan 8.230 nan 0.000 0.437 19 R N 0.022 120.530 120.500 0.013 0.000 2.112 19 R HA -0.254 4.087 4.340 0.002 0.000 0.242 19 R C 2.431 178.735 176.300 0.007 0.000 1.137 19 R CA 2.120 58.226 56.100 0.010 0.000 0.944 19 R CB -0.418 29.887 30.300 0.009 0.000 0.857 19 R HN 0.321 nan 8.270 nan 0.000 0.435 20 R N 0.536 121.038 120.500 0.003 0.000 2.115 20 R HA -0.059 4.282 4.340 0.002 0.000 0.226 20 R C 2.138 178.435 176.300 -0.006 0.000 1.100 20 R CA 1.326 57.424 56.100 -0.003 0.000 0.980 20 R CB -0.078 30.218 30.300 -0.007 0.000 0.875 20 R HN 0.196 nan 8.270 nan 0.000 0.445 21 M N 0.094 119.695 119.600 0.001 0.000 2.175 21 M HA -0.060 4.421 4.480 0.002 0.000 0.264 21 M C 2.179 178.487 176.300 0.013 0.000 1.063 21 M CA 1.218 56.520 55.300 0.003 0.000 1.119 21 M CB -0.114 32.497 32.600 0.018 0.000 1.377 21 M HN 0.046 nan 8.290 nan 0.000 0.415 22 R N 0.910 121.422 120.500 0.019 0.000 2.105 22 R HA -0.101 4.240 4.340 0.002 0.000 0.239 22 R C 1.952 178.262 176.300 0.017 0.000 1.135 22 R CA 1.327 57.441 56.100 0.024 0.000 0.967 22 R CB -0.654 29.659 30.300 0.023 0.000 0.861 22 R HN 0.473 nan 8.270 nan 0.000 0.442 23 K N 0.179 120.584 120.400 0.008 0.000 2.063 23 K HA -0.084 4.238 4.320 0.002 0.000 0.208 23 K C 2.103 178.701 176.600 -0.003 0.000 1.048 23 K CA 1.388 57.677 56.287 0.002 0.000 0.928 23 K CB -0.111 32.388 32.500 -0.003 0.000 0.713 23 K HN -0.019 nan 8.250 nan 0.000 0.442 24 V N 0.866 120.772 119.914 -0.013 0.000 2.427 24 V HA -0.188 3.933 4.120 0.002 0.000 0.248 24 V C 2.258 178.346 176.094 -0.011 0.000 1.051 24 V CA 1.242 63.523 62.300 -0.032 0.000 1.048 24 V CB -0.285 31.497 31.823 -0.068 0.000 0.666 24 V HN 0.070 nan 8.190 nan 0.000 0.456 25 V N 0.928 120.852 119.914 0.017 0.000 2.324 25 V HA -0.287 3.835 4.120 0.002 0.000 0.250 25 V C 2.356 178.474 176.094 0.040 0.000 1.060 25 V CA 2.286 64.614 62.300 0.047 0.000 1.042 25 V CB -0.810 31.051 31.823 0.064 0.000 0.650 25 V HN 0.582 nan 8.190 nan 0.000 0.450 26 N N -0.308 118.409 118.700 0.028 0.000 2.309 26 N HA -0.018 4.724 4.740 0.002 0.000 0.182 26 N C 1.668 177.191 175.510 0.023 0.000 1.018 26 N CA 1.199 54.265 53.050 0.027 0.000 0.876 26 N CB -0.202 38.297 38.487 0.020 0.000 0.972 26 N HN 0.469 nan 8.380 nan 0.000 0.434 27 I N 0.578 121.156 120.570 0.013 0.000 2.193 27 I HA -0.186 3.985 4.170 0.002 0.000 0.240 27 I C 1.958 178.087 176.117 0.020 0.000 1.084 27 I CA 0.716 62.022 61.300 0.010 0.000 1.365 27 I CB -0.165 37.831 38.000 -0.007 0.000 1.064 27 I HN -0.004 nan 8.210 nan 0.000 0.410 28 I N 1.088 121.671 120.570 0.022 0.000 2.118 28 I HA -0.371 3.800 4.170 0.002 0.000 0.241 28 I C 2.242 178.391 176.117 0.054 0.000 1.070 28 I CA 1.535 62.861 61.300 0.044 0.000 1.327 28 I CB -0.616 37.425 38.000 0.069 0.000 1.034 28 I HN 0.321 nan 8.210 nan 0.000 0.405 29 N N 0.974 119.707 118.700 0.054 0.000 2.149 29 N HA -0.165 4.577 4.740 0.002 0.000 0.188 29 N C 1.809 177.345 175.510 0.043 0.000 1.019 29 N CA 1.642 54.724 53.050 0.053 0.000 0.857 29 N CB -0.419 38.100 38.487 0.053 0.000 0.997 29 N HN 0.417 nan 8.380 nan 0.000 0.426 30 A N 0.659 123.501 122.820 0.036 0.000 2.067 30 A HA -0.004 4.318 4.320 0.002 0.000 0.219 30 A C 2.115 179.719 177.584 0.033 0.000 1.158 30 A CA 0.809 52.865 52.037 0.031 0.000 0.661 30 A CB -0.370 18.644 19.000 0.025 0.000 0.801 30 A HN 0.215 nan 8.150 nan 0.000 0.452 31 M N -0.939 118.685 119.600 0.038 0.000 2.619 31 M HA -0.046 4.435 4.480 0.002 0.000 0.251 31 M C 1.839 178.166 176.300 0.044 0.000 1.106 31 M CA 1.127 56.453 55.300 0.043 0.000 1.086 31 M CB -0.112 32.520 32.600 0.053 0.000 1.465 31 M HN 0.656 nan 8.290 nan 0.000 0.506 32 E N 1.424 121.649 120.200 0.043 0.000 2.072 32 E HA -0.146 4.205 4.350 0.002 0.000 0.191 32 E C -0.948 175.673 176.600 0.035 0.000 0.985 32 E CA 1.134 57.559 56.400 0.042 0.000 0.801 32 E CB -0.513 29.213 29.700 0.043 0.000 0.750 32 E HN 0.258 nan 8.360 nan 0.000 0.452 33 P HA -0.111 nan 4.420 nan 0.000 0.221 33 P C 0.743 178.059 177.300 0.026 0.000 1.150 33 P CA 1.078 64.195 63.100 0.027 0.000 0.800 33 P CB 0.033 31.747 31.700 0.024 0.000 0.787 34 E N -0.567 119.650 120.200 0.028 0.000 2.051 34 E HA -0.173 4.179 4.350 0.002 0.000 0.192 34 E C 1.716 178.333 176.600 0.030 0.000 0.991 34 E CA 1.334 57.751 56.400 0.028 0.000 0.799 34 E CB -0.264 29.456 29.700 0.032 0.000 0.748 34 E HN -0.036 nan 8.360 nan 0.000 0.449 35 M N 0.694 120.316 119.600 0.037 0.000 2.175 35 M HA -0.116 4.366 4.480 0.002 0.000 0.264 35 M C 1.905 178.226 176.300 0.035 0.000 1.063 35 M CA 1.392 56.716 55.300 0.040 0.000 1.119 35 M CB -0.954 31.675 32.600 0.047 0.000 1.377 35 M HN 0.135 nan 8.290 nan 0.000 0.415 36 E N 0.141 120.359 120.200 0.031 0.000 2.130 36 E HA -0.238 4.113 4.350 0.002 0.000 0.196 36 E C 1.861 178.476 176.600 0.026 0.000 0.998 36 E CA 1.416 57.833 56.400 0.027 0.000 0.806 36 E CB -0.087 29.628 29.700 0.024 0.000 0.738 36 E HN 0.443 nan 8.360 nan 0.000 0.459 37 K N -0.142 120.272 120.400 0.023 0.000 2.365 37 K HA 0.015 4.336 4.320 0.002 0.000 0.197 37 K C -0.019 176.589 176.600 0.015 0.000 1.042 37 K CA -0.099 56.199 56.287 0.017 0.000 0.987 37 K CB 0.239 32.748 32.500 0.015 0.000 0.779 37 K HN -0.055 nan 8.250 nan 0.000 0.484 38 L N 1.868 123.101 121.223 0.017 0.000 2.455 38 L HA 0.005 4.347 4.340 0.002 0.000 0.272 38 L C 0.614 177.493 176.870 0.015 0.000 1.174 38 L CA 0.314 55.160 54.840 0.011 0.000 0.869 38 L CB 0.593 42.660 42.059 0.014 0.000 1.130 38 L HN 0.146 nan 8.230 nan 0.000 0.474 39 S N 1.942 117.641 115.700 -0.001 0.000 2.606 39 S HA 0.071 4.543 4.470 0.002 0.000 0.257 39 S C 0.819 175.411 174.600 -0.014 0.000 1.327 39 S CA -0.379 57.819 58.200 -0.004 0.000 0.984 39 S CB 0.498 63.685 63.200 -0.021 0.000 0.941 39 S HN 0.621 nan 8.310 nan 0.000 0.576 40 D N 0.612 120.996 120.400 -0.026 0.000 2.117 40 D HA -0.049 4.592 4.640 0.002 0.000 0.197 40 D C 1.847 177.974 176.300 -0.289 0.000 0.987 40 D CA 1.356 55.276 54.000 -0.134 0.000 0.829 40 D CB -0.422 40.306 40.800 -0.120 0.000 0.961 40 D HN 0.689 nan 8.370 nan 0.000 0.460 41 E N 0.936 121.024 120.200 -0.187 0.000 2.077 41 E HA -0.149 4.203 4.350 0.002 0.000 0.193 41 E C 1.849 178.374 176.600 -0.126 0.000 0.989 41 E CA 0.981 57.284 56.400 -0.162 0.000 0.800 41 E CB -0.087 29.552 29.700 -0.102 0.000 0.746 41 E HN 0.352 nan 8.360 nan 0.000 0.452 42 E N -0.241 119.905 120.200 -0.090 0.000 2.051 42 E HA -0.157 4.195 4.350 0.002 0.000 0.192 42 E C 2.203 178.756 176.600 -0.078 0.000 0.991 42 E CA 1.000 57.357 56.400 -0.071 0.000 0.799 42 E CB -0.158 29.515 29.700 -0.045 0.000 0.748 42 E HN 0.235 nan 8.360 nan 0.000 0.449 43 L N 0.948 122.129 121.223 -0.069 0.000 2.083 43 L HA -0.228 4.113 4.340 0.002 0.000 0.209 43 L C 2.606 179.438 176.870 -0.063 0.000 1.083 43 L CA 1.220 56.039 54.840 -0.035 0.000 0.752 43 L CB -0.317 41.778 42.059 0.061 0.000 0.899 43 L HN 0.094 nan 8.230 nan 0.000 0.433 44 K N 0.210 120.511 120.400 -0.164 0.000 2.103 44 K HA -0.177 4.144 4.320 0.002 0.000 0.207 44 K C 1.904 178.466 176.600 -0.063 0.000 1.048 44 K CA 1.491 57.700 56.287 -0.130 0.000 0.930 44 K CB -0.311 32.061 32.500 -0.213 0.000 0.716 44 K HN 0.362 nan 8.250 nan 0.000 0.444 45 G N 0.944 109.692 108.800 -0.087 0.000 2.559 45 G HA2 -0.179 3.782 3.960 0.002 0.000 0.216 45 G HA3 -0.179 3.782 3.960 0.002 0.000 0.216 45 G C 1.174 175.993 174.900 -0.136 0.000 1.126 45 G CA 0.207 45.255 45.100 -0.086 0.000 0.778 45 G HN 0.179 nan 8.290 nan 0.000 0.543 46 K N 0.594 120.888 120.400 -0.177 0.000 2.152 46 K HA -0.059 4.263 4.320 0.002 0.000 0.206 46 K C 2.507 178.824 176.600 -0.472 0.000 1.048 46 K CA 1.231 57.265 56.287 -0.421 0.000 0.933 46 K CB -0.947 31.327 32.500 -0.377 0.000 0.721 46 K HN 0.247 nan 8.250 nan 0.000 0.447 47 T N 1.163 115.694 114.554 -0.038 0.000 2.777 47 T HA -0.070 4.281 4.350 0.002 0.000 0.266 47 T C 1.949 176.690 174.700 0.068 0.000 1.040 47 T CA 1.465 63.672 62.100 0.178 0.000 1.141 47 T CB -0.161 68.847 68.868 0.235 0.000 0.868 47 T HN 0.334 nan 8.240 nan 0.000 0.444 48 A N 1.468 124.286 122.820 -0.004 0.000 1.929 48 A HA -0.073 4.249 4.320 0.002 0.000 0.216 48 A C 2.204 179.771 177.584 -0.028 0.000 1.176 48 A CA 1.700 53.733 52.037 -0.006 0.000 0.628 48 A CB -0.511 18.478 19.000 -0.019 0.000 0.816 48 A HN 0.669 nan 8.150 nan 0.000 0.444 49 E N -1.082 119.055 120.200 -0.105 0.000 2.106 49 E HA -0.183 4.169 4.350 0.002 0.000 0.192 49 E C 1.526 178.108 176.600 -0.031 0.000 0.984 49 E CA 1.167 57.496 56.400 -0.119 0.000 0.806 49 E CB -0.302 29.277 29.700 -0.200 0.000 0.750 49 E HN 0.488 nan 8.360 nan 0.000 0.458 50 F N 1.471 121.444 119.950 0.038 0.000 2.113 50 F HA 0.026 4.554 4.527 0.002 0.000 0.297 50 F C 2.541 178.342 175.800 0.001 0.000 1.103 50 F CA 1.082 59.099 58.000 0.028 0.000 1.248 50 F CB -0.664 38.365 39.000 0.049 0.000 0.999 50 F HN -0.045 nan 8.300 nan 0.000 0.475 51 R N 0.087 120.695 120.500 0.180 0.000 2.127 51 R HA -0.130 4.211 4.340 0.002 0.000 0.238 51 R C 2.327 178.658 176.300 0.051 0.000 1.134 51 R CA 1.206 57.355 56.100 0.081 0.000 0.975 51 R CB -0.759 29.569 30.300 0.048 0.000 0.865 51 R HN 0.283 nan 8.270 nan 0.000 0.447 52 A N 1.113 123.960 122.820 0.046 0.000 1.929 52 A HA -0.114 4.207 4.320 0.002 0.000 0.216 52 A C 2.045 179.650 177.584 0.035 0.000 1.176 52 A CA 0.892 52.945 52.037 0.027 0.000 0.628 52 A CB -0.234 18.774 19.000 0.013 0.000 0.816 52 A HN 0.193 nan 8.150 nan 0.000 0.444 53 R N -0.557 119.979 120.500 0.060 0.000 2.081 53 R HA -0.037 4.304 4.340 0.002 0.000 0.235 53 R C 1.920 178.245 176.300 0.043 0.000 1.131 53 R CA 1.459 57.596 56.100 0.061 0.000 0.960 53 R CB -0.473 29.890 30.300 0.104 0.000 0.856 53 R HN 0.487 nan 8.270 nan 0.000 0.436 54 L N 0.195 121.444 121.223 0.044 0.000 2.156 54 L HA -0.123 4.218 4.340 0.002 0.000 0.208 54 L C 2.433 179.306 176.870 0.006 0.000 1.095 54 L CA 0.845 55.695 54.840 0.016 0.000 0.770 54 L CB -0.212 41.851 42.059 0.007 0.000 0.914 54 L HN 0.091 nan 8.230 nan 0.000 0.439 55 E N 1.097 121.303 120.200 0.010 0.000 2.106 55 E HA -0.164 4.187 4.350 0.002 0.000 0.192 55 E C 1.631 178.233 176.600 0.002 0.000 0.984 55 E CA 1.270 57.671 56.400 0.002 0.000 0.806 55 E CB 0.031 29.733 29.700 0.003 0.000 0.750 55 E HN 0.304 nan 8.360 nan 0.000 0.458 56 K N -0.846 119.558 120.400 0.007 0.000 2.569 56 K HA 0.183 4.505 4.320 0.002 0.000 0.193 56 K C 0.729 177.332 176.600 0.004 0.000 1.026 56 K CA 0.521 56.812 56.287 0.006 0.000 1.093 56 K CB 0.167 32.672 32.500 0.009 0.000 0.849 56 K HN 0.255 nan 8.250 nan 0.000 0.509 57 G N 1.830 110.631 108.800 0.002 0.000 2.159 57 G HA2 -0.257 3.704 3.960 0.002 0.000 0.227 57 G HA3 -0.257 3.704 3.960 0.002 0.000 0.227 57 G C -0.116 174.782 174.900 -0.003 0.000 0.986 57 G CA -0.158 44.941 45.100 -0.002 0.000 0.651 57 G HN 0.374 nan 8.290 nan 0.000 0.523 58 E N 0.324 120.526 120.200 0.003 0.000 2.418 58 E HA 0.450 4.801 4.350 0.002 0.000 0.261 58 E C 0.589 177.181 176.600 -0.014 0.000 1.070 58 E CA -0.084 56.316 56.400 -0.000 0.000 0.931 58 E CB 0.911 30.620 29.700 0.014 0.000 0.954 58 E HN 0.354 nan 8.360 nan 0.000 0.439 59 V N 5.987 125.887 119.914 -0.023 0.000 2.481 59 V HA 0.064 4.186 4.120 0.002 0.000 0.286 59 V C 1.216 177.277 176.094 -0.054 0.000 1.042 59 V CA -0.319 61.960 62.300 -0.035 0.000 0.928 59 V CB 1.345 33.148 31.823 -0.034 0.000 0.986 59 V HN 0.802 nan 8.190 nan 0.000 0.462 60 L N 4.385 125.569 121.223 -0.065 0.000 2.083 60 L HA -0.090 4.251 4.340 0.002 0.000 0.209 60 L C 2.080 178.875 176.870 -0.124 0.000 1.083 60 L CA 1.956 56.740 54.840 -0.093 0.000 0.752 60 L CB -0.296 41.709 42.059 -0.088 0.000 0.899 60 L HN 0.755 nan 8.230 nan 0.000 0.433 61 E N -0.247 119.887 120.200 -0.110 0.000 2.204 61 E HA -0.119 4.233 4.350 0.002 0.000 0.194 61 E C 1.832 178.353 176.600 -0.132 0.000 0.989 61 E CA 0.729 57.053 56.400 -0.128 0.000 0.824 61 E CB -0.356 29.284 29.700 -0.099 0.000 0.756 61 E HN 0.467 nan 8.360 nan 0.000 0.477 62 N N -0.021 118.619 118.700 -0.101 0.000 2.519 62 N HA -0.086 4.655 4.740 0.002 0.000 0.186 62 N C 1.032 176.473 175.510 -0.114 0.000 1.062 62 N CA 0.641 53.638 53.050 -0.088 0.000 0.910 62 N CB 0.072 38.528 38.487 -0.051 0.000 0.958 62 N HN 0.251 nan 8.380 nan 0.000 0.445 63 L N -0.232 120.891 121.223 -0.166 0.000 2.567 63 L HA 0.197 4.539 4.340 0.002 0.000 0.225 63 L C 1.781 178.470 176.870 -0.303 0.000 1.119 63 L CA -0.040 54.653 54.840 -0.246 0.000 0.871 63 L CB 0.049 41.902 42.059 -0.345 0.000 1.036 63 L HN 0.060 nan 8.230 nan 0.000 0.459 64 I N 1.094 121.473 120.570 -0.319 0.000 2.118 64 I HA -0.232 3.940 4.170 0.002 0.000 0.241 64 I C -0.236 175.589 176.117 -0.487 0.000 1.070 64 I CA 1.799 62.778 61.300 -0.535 0.000 1.327 64 I CB -1.248 36.376 38.000 -0.627 0.000 1.034 64 I HN 0.229 nan 8.210 nan 0.000 0.405 65 P HA -0.176 nan 4.420 nan 0.000 0.215 65 P C 1.428 178.712 177.300 -0.027 0.000 1.157 65 P CA 1.488 64.496 63.100 -0.152 0.000 0.868 65 P CB -0.073 31.574 31.700 -0.088 0.000 0.788 66 E N -0.655 119.548 120.200 0.005 0.000 2.077 66 E HA -0.154 4.197 4.350 0.002 0.000 0.193 66 E C 2.039 178.766 176.600 0.212 0.000 0.989 66 E CA 1.271 57.762 56.400 0.152 0.000 0.800 66 E CB -0.419 29.463 29.700 0.304 0.000 0.746 66 E HN 0.106 nan 8.360 nan 0.000 0.452 67 A N 0.486 123.309 122.820 0.005 0.000 1.929 67 A HA -0.128 4.193 4.320 0.002 0.000 0.216 67 A C 1.798 179.567 177.584 0.309 0.000 1.176 67 A CA 0.867 52.965 52.037 0.101 0.000 0.628 67 A CB -0.489 18.459 19.000 -0.087 0.000 0.816 67 A HN 0.157 nan 8.150 nan 0.000 0.444 68 F N 0.242 120.166 119.950 -0.043 0.000 2.186 68 F HA -0.008 4.521 4.527 0.002 0.000 0.299 68 F C 2.785 178.523 175.800 -0.104 0.000 1.090 68 F CA 0.239 58.184 58.000 -0.091 0.000 1.307 68 F CB -1.100 37.849 39.000 -0.086 0.000 1.019 68 F HN 0.270 nan 8.300 nan 0.000 0.489 69 A N -0.264 122.650 122.820 0.157 0.000 1.933 69 A HA -0.095 4.226 4.320 0.002 0.000 0.218 69 A C 2.454 180.071 177.584 0.055 0.000 1.175 69 A CA 1.720 53.808 52.037 0.086 0.000 0.628 69 A CB -1.127 17.930 19.000 0.094 0.000 0.814 69 A HN 0.173 nan 8.150 nan 0.000 0.444 70 V N -0.579 119.386 119.914 0.085 0.000 2.307 70 V HA -0.205 3.917 4.120 0.002 0.000 0.245 70 V C 2.581 178.631 176.094 -0.074 0.000 1.045 70 V CA 1.957 64.288 62.300 0.052 0.000 1.024 70 V CB -0.644 31.276 31.823 0.162 0.000 0.651 70 V HN 0.369 nan 8.190 nan 0.000 0.449 71 V N 0.059 119.868 119.914 -0.176 0.000 2.343 71 V HA -0.266 3.855 4.120 0.002 0.000 0.247 71 V C 2.556 178.537 176.094 -0.189 0.000 1.051 71 V CA 2.416 64.553 62.300 -0.271 0.000 1.036 71 V CB -0.796 30.816 31.823 -0.352 0.000 0.654 71 V HN 0.499 nan 8.190 nan 0.000 0.451 72 R N 0.016 120.387 120.500 -0.216 0.000 2.096 72 R HA -0.239 4.102 4.340 0.002 0.000 0.235 72 R C 2.287 178.590 176.300 0.004 0.000 1.127 72 R CA 2.093 58.154 56.100 -0.065 0.000 0.968 72 R CB -0.098 30.167 30.300 -0.058 0.000 0.861 72 R HN 0.587 nan 8.270 nan 0.000 0.440 73 E N 0.144 120.326 120.200 -0.030 0.000 2.086 73 E HA -0.007 4.344 4.350 0.002 0.000 0.190 73 E C 1.706 178.248 176.600 -0.096 0.000 0.975 73 E CA 1.295 57.678 56.400 -0.028 0.000 0.813 73 E CB -0.157 29.550 29.700 0.012 0.000 0.768 73 E HN 0.370 nan 8.360 nan 0.000 0.457 74 A N 0.401 123.148 122.820 -0.122 0.000 1.903 74 A HA -0.279 4.042 4.320 0.002 0.000 0.219 74 A C 2.485 179.742 177.584 -0.544 0.000 1.191 74 A CA 2.404 54.223 52.037 -0.364 0.000 0.638 74 A CB -1.343 17.509 19.000 -0.247 0.000 0.823 74 A HN 0.370 nan 8.150 nan 0.000 0.451 75 S N -0.652 114.835 115.700 -0.355 0.000 2.368 75 S HA -0.215 4.257 4.470 0.002 0.000 0.225 75 S C 2.018 176.468 174.600 -0.249 0.000 1.030 75 S CA 1.863 59.840 58.200 -0.372 0.000 0.999 75 S CB -0.359 62.783 63.200 -0.095 0.000 0.844 75 S HN 0.600 nan 8.310 nan 0.000 0.459 76 K N 0.339 120.644 120.400 -0.158 0.000 2.034 76 K HA -0.142 4.179 4.320 0.002 0.000 0.214 76 K C 2.563 179.072 176.600 -0.151 0.000 1.051 76 K CA 1.893 58.111 56.287 -0.114 0.000 0.931 76 K CB -0.223 32.236 32.500 -0.068 0.000 0.715 76 K HN 0.338 nan 8.250 nan 0.000 0.446 77 R N 0.049 120.409 120.500 -0.233 0.000 2.093 77 R HA -0.035 4.306 4.340 0.002 0.000 0.224 77 R C 2.316 178.445 176.300 -0.284 0.000 1.101 77 R CA 0.909 56.873 56.100 -0.226 0.000 0.979 77 R CB -0.022 30.122 30.300 -0.259 0.000 0.877 77 R HN 0.016 nan 8.270 nan 0.000 0.441 78 V N -0.286 119.344 119.914 -0.474 0.000 2.331 78 V HA -0.095 4.026 4.120 0.002 0.000 0.242 78 V C 1.488 177.480 176.094 -0.170 0.000 1.034 78 V CA 1.442 63.467 62.300 -0.458 0.000 1.027 78 V CB -0.239 31.105 31.823 -0.799 0.000 0.667 78 V HN 0.138 nan 8.190 nan 0.000 0.457 79 F N 0.638 120.457 119.950 -0.218 0.000 2.746 79 F HA 0.439 4.967 4.527 0.003 0.000 0.297 79 F C 1.973 177.679 175.800 -0.158 0.000 1.113 79 F CA 0.084 57.972 58.000 -0.186 0.000 1.367 79 F CB -0.854 38.016 39.000 -0.218 0.000 1.111 79 F HN 0.308 nan 8.300 nan 0.000 0.590 80 G N 1.215 110.026 108.800 0.018 0.000 2.198 80 G HA2 -0.334 3.628 3.960 0.002 0.000 0.260 80 G HA3 -0.334 3.628 3.960 0.002 0.000 0.260 80 G C 0.139 175.022 174.900 -0.028 0.000 1.025 80 G CA 0.373 45.462 45.100 -0.017 0.000 0.769 80 G HN 0.306 nan 8.290 nan 0.000 0.507 81 M N -1.045 118.533 119.600 -0.037 0.000 2.464 81 M HA 0.510 4.991 4.480 0.002 0.000 0.308 81 M C 0.114 176.321 176.300 -0.156 0.000 1.127 81 M CA -0.845 54.387 55.300 -0.114 0.000 0.913 81 M CB 2.438 34.941 32.600 -0.160 0.000 1.689 81 M HN 0.173 nan 8.290 nan 0.000 0.445 82 R N 1.637 122.025 120.500 -0.187 0.000 2.393 82 R HA 0.430 4.771 4.340 0.002 0.000 0.315 82 R C -1.172 174.985 176.300 -0.238 0.000 0.952 82 R CA -0.676 55.353 56.100 -0.119 0.000 0.842 82 R CB 0.839 31.120 30.300 -0.031 0.000 1.163 82 R HN 0.693 nan 8.270 nan 0.000 0.450 83 H N 3.235 122.172 119.070 -0.223 0.000 3.038 83 H HA -0.018 4.539 4.556 0.002 0.000 0.338 83 H C -0.241 174.967 175.328 -0.200 0.000 1.041 83 H CA 0.902 56.789 56.048 -0.268 0.000 1.394 83 H CB 0.055 29.730 29.762 -0.145 0.000 1.357 83 H HN 0.285 nan 8.280 nan 0.000 0.600 84 F N 1.240 121.254 119.950 0.107 0.000 2.406 84 F HA 0.030 4.559 4.527 0.003 0.000 0.327 84 F C 1.682 177.537 175.800 0.091 0.000 1.153 84 F CA -0.673 57.374 58.000 0.079 0.000 1.218 84 F CB 0.373 39.402 39.000 0.049 0.000 1.215 84 F HN 0.534 nan 8.300 nan 0.000 0.570 85 D N 0.683 121.245 120.400 0.269 0.000 2.116 85 D HA -0.173 4.469 4.640 0.002 0.000 0.193 85 D C 2.395 178.794 176.300 0.165 0.000 0.998 85 D CA 1.947 56.054 54.000 0.178 0.000 0.836 85 D CB -0.617 40.259 40.800 0.126 0.000 0.951 85 D HN 0.367 nan 8.370 nan 0.000 0.449 86 V N -0.887 119.127 119.914 0.167 0.000 2.469 86 V HA -0.286 3.836 4.120 0.002 0.000 0.251 86 V C 1.932 178.114 176.094 0.146 0.000 1.064 86 V CA 1.629 64.011 62.300 0.137 0.000 1.066 86 V CB -0.885 31.003 31.823 0.108 0.000 0.667 86 V HN 0.153 nan 8.190 nan 0.000 0.461 87 Q N 0.119 120.031 119.800 0.186 0.000 2.123 87 Q HA 0.063 4.404 4.340 0.002 0.000 0.199 87 Q C 2.339 178.409 176.000 0.117 0.000 0.966 87 Q CA 1.664 57.554 55.803 0.145 0.000 0.845 87 Q CB -0.257 28.569 28.738 0.146 0.000 0.907 87 Q HN 0.632 nan 8.270 nan 0.000 0.439 88 L N 0.451 121.759 121.223 0.141 0.000 2.012 88 L HA -0.240 4.101 4.340 0.002 0.000 0.210 88 L C 2.354 179.366 176.870 0.237 0.000 1.073 88 L CA 1.159 56.116 54.840 0.194 0.000 0.748 88 L CB -0.617 41.582 42.059 0.233 0.000 0.891 88 L HN 0.255 nan 8.230 nan 0.000 0.431 89 L N -0.252 121.071 121.223 0.167 0.000 1.990 89 L HA -0.192 4.150 4.340 0.002 0.000 0.213 89 L C 2.733 179.681 176.870 0.129 0.000 1.072 89 L CA 1.619 56.540 54.840 0.135 0.000 0.755 89 L CB -1.306 40.810 42.059 0.094 0.000 0.889 89 L HN 0.360 nan 8.230 nan 0.000 0.432 90 G N -0.437 108.428 108.800 0.107 0.000 2.469 90 G HA2 -0.238 3.724 3.960 0.002 0.000 0.219 90 G HA3 -0.238 3.724 3.960 0.002 0.000 0.219 90 G C 1.562 176.520 174.900 0.097 0.000 1.150 90 G CA 0.828 45.976 45.100 0.081 0.000 0.763 90 G HN 0.519 nan 8.290 nan 0.000 0.561 91 G N 0.548 109.417 108.800 0.115 0.000 2.432 91 G HA2 -0.143 3.818 3.960 0.002 0.000 0.219 91 G HA3 -0.143 3.818 3.960 0.002 0.000 0.219 91 G C 1.868 176.975 174.900 0.345 0.000 1.135 91 G CA 0.953 46.134 45.100 0.136 0.000 0.767 91 G HN 0.462 nan 8.290 nan 0.000 0.550 92 M N 0.004 119.832 119.600 0.380 0.000 2.288 92 M HA 0.034 4.516 4.480 0.002 0.000 0.266 92 M C 2.606 178.974 176.300 0.114 0.000 1.072 92 M CA 0.458 55.894 55.300 0.226 0.000 1.132 92 M CB -0.184 32.473 32.600 0.094 0.000 1.386 92 M HN 0.065 nan 8.290 nan 0.000 0.432 93 V N 1.271 121.242 119.914 0.096 0.000 2.252 93 V HA -0.280 3.841 4.120 0.002 0.000 0.249 93 V C 2.278 178.397 176.094 0.042 0.000 1.056 93 V CA 1.828 64.157 62.300 0.049 0.000 1.022 93 V CB -0.685 31.157 31.823 0.032 0.000 0.641 93 V HN 0.485 nan 8.190 nan 0.000 0.445 94 L N 0.442 121.705 121.223 0.066 0.000 2.450 94 L HA -0.157 4.184 4.340 0.002 0.000 0.224 94 L C 2.180 179.121 176.870 0.120 0.000 1.149 94 L CA 1.334 56.225 54.840 0.085 0.000 0.816 94 L CB -0.688 41.435 42.059 0.107 0.000 0.932 94 L HN 0.443 nan 8.230 nan 0.000 0.449 95 N N -0.713 118.028 118.700 0.067 0.000 2.457 95 N HA -0.075 4.666 4.740 0.002 0.000 0.180 95 N C 0.679 176.163 175.510 -0.042 0.000 1.050 95 N CA 0.586 53.620 53.050 -0.027 0.000 0.906 95 N CB 0.380 38.851 38.487 -0.027 0.000 0.968 95 N HN 0.186 nan 8.380 nan 0.000 0.445 96 E N -0.196 120.004 120.200 -0.001 0.000 2.285 96 E HA 0.179 4.530 4.350 0.002 0.000 0.254 96 E C -0.441 176.165 176.600 0.010 0.000 1.011 96 E CA -0.630 55.766 56.400 -0.006 0.000 0.873 96 E CB 0.714 30.410 29.700 -0.006 0.000 1.229 96 E HN 0.028 nan 8.360 nan 0.000 0.422 97 R N 0.591 121.095 120.500 0.006 0.000 4.164 97 R HA 0.224 4.565 4.340 0.002 0.000 0.195 97 R C -1.034 175.256 176.300 -0.017 0.000 1.712 97 R CA 0.050 56.155 56.100 0.009 0.000 1.457 97 R CB -0.842 29.472 30.300 0.024 0.000 1.387 97 R HN 0.258 nan 8.270 nan 0.000 0.785 98 C N 1.971 121.246 119.300 -0.041 0.000 2.994 98 C HA 0.514 4.976 4.460 0.002 0.000 0.304 98 C C -0.597 174.304 174.990 -0.149 0.000 1.273 98 C CA -1.135 57.836 59.018 -0.078 0.000 1.537 98 C CB 1.681 29.393 27.740 -0.047 0.000 2.001 98 C HN 0.444 nan 8.230 nan 0.000 0.471 99 I N 2.706 123.143 120.570 -0.223 0.000 2.304 99 I HA 0.366 4.538 4.170 0.002 0.000 0.291 99 I C 0.698 176.707 176.117 -0.180 0.000 1.018 99 I CA -0.191 60.921 61.300 -0.314 0.000 1.260 99 I CB 0.633 38.299 38.000 -0.557 0.000 1.390 99 I HN 0.821 nan 8.210 nan 0.000 0.475 100 A N 6.419 129.160 122.820 -0.132 0.000 2.310 100 A HA 0.251 4.573 4.320 0.002 0.000 0.300 100 A C 0.449 177.989 177.584 -0.073 0.000 1.269 100 A CA -0.502 51.494 52.037 -0.069 0.000 0.909 100 A CB -0.092 18.890 19.000 -0.029 0.000 1.144 100 A HN 0.739 nan 8.150 nan 0.000 0.540 101 E N 4.127 124.296 120.200 -0.053 0.000 2.052 101 E HA 0.435 4.787 4.350 0.002 0.000 0.283 101 E C -0.720 175.876 176.600 -0.007 0.000 1.071 101 E CA -0.132 56.247 56.400 -0.034 0.000 0.851 101 E CB 0.224 29.912 29.700 -0.020 0.000 1.066 101 E HN 0.666 nan 8.360 nan 0.000 0.396 102 M N 3.991 123.589 119.600 -0.003 0.000 2.326 102 M HA 0.433 4.915 4.480 0.002 0.000 0.306 102 M C -0.105 176.205 176.300 0.016 0.000 1.054 102 M CA -1.091 54.217 55.300 0.014 0.000 0.922 102 M CB 1.946 34.560 32.600 0.023 0.000 1.632 102 M HN 0.246 nan 8.290 nan 0.000 0.436 103 R N 1.422 121.936 120.500 0.023 0.000 2.679 103 R HA 0.151 4.492 4.340 0.002 0.000 0.268 103 R C -0.465 175.851 176.300 0.025 0.000 1.044 103 R CA 0.504 56.619 56.100 0.024 0.000 1.105 103 R CB 0.567 30.883 30.300 0.027 0.000 0.989 103 R HN 0.759 nan 8.270 nan 0.000 0.447 104 T N 2.286 116.853 114.554 0.023 0.000 2.777 104 T HA 0.056 4.407 4.350 0.002 0.000 0.273 104 T C 1.099 175.816 174.700 0.029 0.000 1.016 104 T CA 1.848 63.962 62.100 0.022 0.000 1.156 104 T CB 0.018 68.898 68.868 0.021 0.000 1.019 104 T HN 0.731 nan 8.240 nan 0.000 0.503 105 G N 3.445 112.262 108.800 0.029 0.000 2.179 105 G HA2 -0.191 3.771 3.960 0.002 0.000 0.220 105 G HA3 -0.191 3.771 3.960 0.002 0.000 0.220 105 G C 0.736 175.668 174.900 0.054 0.000 0.990 105 G CA 0.070 45.192 45.100 0.037 0.000 0.646 105 G HN 0.648 nan 8.290 nan 0.000 0.517 106 E N 0.381 120.614 120.200 0.054 0.000 2.478 106 E HA 0.299 4.650 4.350 0.002 0.000 0.194 106 E C 1.688 178.352 176.600 0.106 0.000 1.045 106 E CA 1.038 57.489 56.400 0.084 0.000 0.868 106 E CB 0.052 29.793 29.700 0.069 0.000 0.885 106 E HN 1.630 nan 8.360 nan 0.000 0.505 107 G N 2.312 111.147 108.800 0.057 0.000 2.270 107 G HA2 -0.269 3.693 3.960 0.002 0.000 0.224 107 G HA3 -0.269 3.693 3.960 0.002 0.000 0.224 107 G C 0.709 175.612 174.900 0.006 0.000 1.079 107 G CA 0.344 45.456 45.100 0.021 0.000 0.807 107 G HN 0.192 nan 8.290 nan 0.000 0.492 108 K N -0.691 119.714 120.400 0.009 0.000 2.103 108 K HA -0.114 4.208 4.320 0.002 0.000 0.207 108 K C 2.606 179.208 176.600 0.003 0.000 1.048 108 K CA 1.932 58.222 56.287 0.006 0.000 0.930 108 K CB -0.158 32.342 32.500 -0.000 0.000 0.716 108 K HN 0.427 nan 8.250 nan 0.000 0.444 109 T N 1.673 116.218 114.554 -0.015 0.000 2.737 109 T HA -0.120 4.231 4.350 0.002 0.000 0.265 109 T C 1.718 176.409 174.700 -0.015 0.000 1.038 109 T CA 0.933 63.024 62.100 -0.015 0.000 1.144 109 T CB -0.160 68.676 68.868 -0.054 0.000 0.866 109 T HN 0.072 nan 8.240 nan 0.000 0.434 110 L N 1.013 122.196 121.223 -0.068 0.000 2.093 110 L HA -0.026 4.316 4.340 0.002 0.000 0.208 110 L C 2.527 179.403 176.870 0.011 0.000 1.085 110 L CA 1.695 56.482 54.840 -0.089 0.000 0.755 110 L CB -1.118 40.784 42.059 -0.262 0.000 0.904 110 L HN 0.183 nan 8.230 nan 0.000 0.435 111 T N -0.210 114.360 114.554 0.026 0.000 2.720 111 T HA -0.201 4.150 4.350 0.002 0.000 0.268 111 T C 1.812 176.545 174.700 0.055 0.000 1.037 111 T CA 1.363 63.504 62.100 0.068 0.000 1.144 111 T CB -0.458 68.437 68.868 0.045 0.000 0.864 111 T HN 0.515 nan 8.240 nan 0.000 0.444 112 A N 1.525 124.389 122.820 0.073 0.000 2.121 112 A HA -0.066 4.256 4.320 0.002 0.000 0.218 112 A C 2.510 180.202 177.584 0.181 0.000 1.154 112 A CA 1.822 53.920 52.037 0.102 0.000 0.679 112 A CB -0.985 18.078 19.000 0.104 0.000 0.795 112 A HN 0.652 nan 8.150 nan 0.000 0.458 113 T N -1.560 113.119 114.554 0.209 0.000 2.915 113 T HA -0.050 4.302 4.350 0.002 0.000 0.269 113 T C 1.748 176.604 174.700 0.261 0.000 1.071 113 T CA 1.287 63.590 62.100 0.338 0.000 1.132 113 T CB -0.490 68.492 68.868 0.190 0.000 0.878 113 T HN 0.335 nan 8.240 nan 0.000 0.479 114 L N 1.595 122.802 121.223 -0.027 0.000 1.988 114 L HA 0.057 4.398 4.340 0.002 0.000 0.207 114 L C 0.136 176.973 176.870 -0.055 0.000 1.071 114 L CA 1.145 55.786 54.840 -0.333 0.000 0.744 114 L CB -1.623 39.814 42.059 -1.036 0.000 0.893 114 L HN 0.196 nan 8.230 nan 0.000 0.433 115 P HA -0.193 nan 4.420 nan 0.000 0.218 115 P C 1.274 178.671 177.300 0.162 0.000 1.148 115 P CA 2.008 65.198 63.100 0.150 0.000 0.822 115 P CB 0.093 31.901 31.700 0.180 0.000 0.784 116 A N -0.694 122.256 122.820 0.217 0.000 1.872 116 A HA -0.187 4.134 4.320 0.002 0.000 0.214 116 A C 2.389 180.025 177.584 0.088 0.000 1.187 116 A CA 1.195 53.339 52.037 0.178 0.000 0.614 116 A CB -1.873 17.240 19.000 0.188 0.000 0.826 116 A HN 0.122 nan 8.150 nan 0.000 0.442 117 Y N 0.031 120.391 120.300 0.099 0.000 2.097 117 Y HA -0.209 4.342 4.550 0.003 0.000 0.282 117 Y C 2.084 178.020 175.900 0.060 0.000 1.152 117 Y CA 2.084 60.237 58.100 0.089 0.000 1.136 117 Y CB -0.398 38.219 38.460 0.262 0.000 0.975 117 Y HN 0.247 nan 8.280 nan 0.000 0.498 118 L N 1.113 122.418 121.223 0.136 0.000 2.012 118 L HA -0.253 4.088 4.340 0.002 0.000 0.210 118 L C 1.778 178.562 176.870 -0.143 0.000 1.073 118 L CA 2.083 56.909 54.840 -0.023 0.000 0.748 118 L CB -0.881 41.265 42.059 0.145 0.000 0.891 118 L HN 0.281 nan 8.230 nan 0.000 0.431 119 N N -0.385 118.233 118.700 -0.135 0.000 2.571 119 N HA -0.026 4.715 4.740 0.002 0.000 0.189 119 N C 1.354 176.871 175.510 0.012 0.000 1.154 119 N CA 0.843 53.801 53.050 -0.153 0.000 0.907 119 N CB 0.099 38.276 38.487 -0.517 0.000 0.977 119 N HN 0.504 nan 8.380 nan 0.000 0.449 120 A N 0.092 122.860 122.820 -0.086 0.000 2.195 120 A HA 0.170 4.491 4.320 0.002 0.000 0.210 120 A C 2.100 179.592 177.584 -0.153 0.000 1.165 120 A CA -0.036 51.934 52.037 -0.113 0.000 0.806 120 A CB -0.007 18.876 19.000 -0.194 0.000 0.847 120 A HN 0.128 nan 8.150 nan 0.000 0.482 121 L N -0.072 121.039 121.223 -0.188 0.000 2.179 121 L HA -0.069 4.272 4.340 0.002 0.000 0.208 121 L C 2.580 179.392 176.870 -0.096 0.000 1.096 121 L CA 1.575 56.317 54.840 -0.163 0.000 0.779 121 L CB -0.546 41.411 42.059 -0.171 0.000 0.922 121 L HN 0.537 nan 8.230 nan 0.000 0.443 122 T N -3.081 111.412 114.554 -0.102 0.000 3.160 122 T HA 0.138 4.489 4.350 0.002 0.000 0.257 122 T C 1.410 176.034 174.700 -0.127 0.000 1.147 122 T CA 0.464 62.500 62.100 -0.108 0.000 1.064 122 T CB 0.008 68.797 68.868 -0.133 0.000 0.949 122 T HN 0.478 nan 8.240 nan 0.000 0.526 123 G N 1.467 110.199 108.800 -0.114 0.000 2.137 123 G HA2 -0.211 3.751 3.960 0.002 0.000 0.237 123 G HA3 -0.211 3.751 3.960 0.002 0.000 0.237 123 G C 0.668 175.497 174.900 -0.117 0.000 1.002 123 G CA 0.206 45.254 45.100 -0.087 0.000 0.702 123 G HN 0.486 nan 8.290 nan 0.000 0.515 124 K N -0.043 120.233 120.400 -0.208 0.000 2.402 124 K HA 0.455 4.777 4.320 0.002 0.000 0.204 124 K C 1.127 177.663 176.600 -0.106 0.000 1.056 124 K CA 0.631 56.763 56.287 -0.259 0.000 1.069 124 K CB 0.987 33.091 32.500 -0.661 0.000 0.888 124 K HN 1.755 nan 8.250 nan 0.000 0.546 125 G N 1.083 109.882 108.800 -0.002 0.000 2.719 125 G HA2 -0.169 3.793 3.960 0.002 0.000 0.686 125 G HA3 -0.169 3.793 3.960 0.002 0.000 0.686 125 G C -0.928 174.083 174.900 0.185 0.000 1.201 125 G CA -0.771 44.389 45.100 0.099 0.000 0.768 125 G HN -0.068 nan 8.290 nan 0.000 0.629 126 V N 2.714 122.709 119.914 0.136 0.000 2.680 126 V HA 0.601 4.722 4.120 0.002 0.000 0.309 126 V C 0.102 176.276 176.094 0.133 0.000 1.052 126 V CA -0.841 61.528 62.300 0.115 0.000 0.908 126 V CB 2.102 33.999 31.823 0.124 0.000 1.001 126 V HN 0.826 nan 8.190 nan 0.000 0.431 127 H N 2.382 121.398 119.070 -0.090 0.000 2.623 127 H HA 0.478 5.035 4.556 0.002 0.000 0.299 127 H C -0.666 174.490 175.328 -0.286 0.000 1.052 127 H CA -0.845 55.080 56.048 -0.205 0.000 1.231 127 H CB 1.730 31.206 29.762 -0.477 0.000 1.389 127 H HN 0.427 nan 8.280 nan 0.000 0.469 128 V N 5.179 125.012 119.914 -0.135 0.000 2.488 128 V HA 0.040 4.161 4.120 0.002 0.000 0.277 128 V C 0.228 176.363 176.094 0.068 0.000 1.046 128 V CA -0.452 61.733 62.300 -0.193 0.000 0.986 128 V CB 1.151 32.685 31.823 -0.482 0.000 0.989 128 V HN 0.463 nan 8.190 nan 0.000 0.475 129 V N 5.122 125.070 119.914 0.056 0.000 2.347 129 V HA 0.506 4.627 4.120 0.002 0.000 0.280 129 V C 0.448 176.586 176.094 0.073 0.000 1.021 129 V CA -0.325 62.082 62.300 0.177 0.000 0.847 129 V CB 1.525 33.404 31.823 0.094 0.000 0.990 129 V HN 1.038 nan 8.190 nan 0.000 0.444 130 T N 1.050 115.667 114.554 0.105 0.000 2.949 130 T HA 0.511 4.863 4.350 0.002 0.000 0.287 130 T C 1.005 175.726 174.700 0.035 0.000 1.034 130 T CA -0.033 62.103 62.100 0.060 0.000 1.018 130 T CB 1.857 70.779 68.868 0.089 0.000 1.135 130 T HN 0.489 nan 8.240 nan 0.000 0.532 131 V N -0.876 119.049 119.914 0.018 0.000 2.951 131 V HA 0.247 4.369 4.120 0.002 0.000 0.255 131 V C 0.425 176.535 176.094 0.026 0.000 1.088 131 V CA 0.801 63.103 62.300 0.003 0.000 1.109 131 V CB -1.834 29.984 31.823 -0.008 0.000 0.724 131 V HN 1.055 nan 8.190 nan 0.000 0.471 132 N N -1.989 116.740 118.700 0.049 0.000 2.853 132 N HA 0.309 5.050 4.740 0.002 0.000 0.258 132 N C -0.147 175.403 175.510 0.066 0.000 1.444 132 N CA -0.274 52.814 53.050 0.063 0.000 0.837 132 N CB 0.622 39.155 38.487 0.077 0.000 1.489 132 N HN -0.172 nan 8.380 nan 0.000 0.529 133 D N -0.956 119.486 120.400 0.070 0.000 2.149 133 D HA -0.106 4.536 4.640 0.002 0.000 0.201 133 D C 1.211 177.541 176.300 0.051 0.000 0.972 133 D CA 1.194 55.223 54.000 0.048 0.000 0.835 133 D CB -0.367 40.462 40.800 0.048 0.000 0.966 133 D HN 0.586 nan 8.370 nan 0.000 0.476 134 Y N 1.461 121.755 120.300 -0.010 0.000 2.165 134 Y HA -0.189 4.363 4.550 0.003 0.000 0.286 134 Y C 2.085 177.971 175.900 -0.023 0.000 1.155 134 Y CA 1.450 59.539 58.100 -0.019 0.000 1.164 134 Y CB -0.361 38.086 38.460 -0.022 0.000 0.978 134 Y HN -0.086 nan 8.280 nan 0.000 0.513 135 L N -0.486 120.687 121.223 -0.083 0.000 2.109 135 L HA -0.118 4.224 4.340 0.002 0.000 0.207 135 L C 2.804 179.591 176.870 -0.139 0.000 1.086 135 L CA 0.831 55.581 54.840 -0.149 0.000 0.760 135 L CB -0.918 41.158 42.059 0.028 0.000 0.910 135 L HN 0.346 nan 8.230 nan 0.000 0.437 136 A N -0.219 122.569 122.820 -0.054 0.000 1.873 136 A HA -0.289 4.032 4.320 0.002 0.000 0.218 136 A C 2.231 179.746 177.584 -0.115 0.000 1.193 136 A CA 1.840 53.876 52.037 -0.002 0.000 0.629 136 A CB -0.573 18.439 19.000 0.020 0.000 0.826 136 A HN 0.452 nan 8.150 nan 0.000 0.447 137 Q N -1.385 118.315 119.800 -0.166 0.000 2.046 137 Q HA -0.172 4.170 4.340 0.002 0.000 0.200 137 Q C 2.476 178.312 176.000 -0.274 0.000 0.975 137 Q CA 1.480 57.169 55.803 -0.189 0.000 0.836 137 Q CB -0.204 28.434 28.738 -0.166 0.000 0.896 137 Q HN 0.671 nan 8.270 nan 0.000 0.428 138 R N 0.599 120.855 120.500 -0.406 0.000 2.066 138 R HA -0.158 4.183 4.340 0.002 0.000 0.232 138 R C 1.287 177.388 176.300 -0.332 0.000 1.131 138 R CA 1.750 57.601 56.100 -0.415 0.000 0.955 138 R CB 0.071 29.991 30.300 -0.633 0.000 0.851 138 R HN 0.208 nan 8.270 nan 0.000 0.432 139 D N 0.343 120.534 120.400 -0.348 0.000 2.103 139 D HA -0.066 4.575 4.640 0.002 0.000 0.199 139 D C 1.793 177.695 176.300 -0.665 0.000 0.978 139 D CA 1.407 55.171 54.000 -0.393 0.000 0.829 139 D CB -0.399 40.230 40.800 -0.285 0.000 0.981 139 D HN 0.323 nan 8.370 nan 0.000 0.464 140 A N 1.580 123.891 122.820 -0.849 0.000 1.881 140 A HA -0.262 4.059 4.320 0.002 0.000 0.219 140 A C 2.051 179.471 177.584 -0.274 0.000 1.215 140 A CA 1.829 53.461 52.037 -0.675 0.000 0.648 140 A CB -0.558 18.259 19.000 -0.304 0.000 0.832 140 A HN 0.084 nan 8.150 nan 0.000 0.455 141 E N -0.021 120.059 120.200 -0.200 0.000 2.106 141 E HA -0.142 4.210 4.350 0.002 0.000 0.192 141 E C 1.816 178.367 176.600 -0.080 0.000 0.984 141 E CA 1.115 57.452 56.400 -0.105 0.000 0.806 141 E CB -0.515 29.125 29.700 -0.101 0.000 0.750 141 E HN 0.602 nan 8.360 nan 0.000 0.458 142 N N 1.174 119.793 118.700 -0.135 0.000 2.188 142 N HA -0.093 4.648 4.740 0.002 0.000 0.184 142 N C 1.299 176.820 175.510 0.018 0.000 1.018 142 N CA 0.761 53.744 53.050 -0.111 0.000 0.858 142 N CB -0.234 38.119 38.487 -0.224 0.000 0.989 142 N HN 0.141 nan 8.380 nan 0.000 0.426 143 N N 0.334 119.031 118.700 -0.005 0.000 2.424 143 N HA 0.010 4.751 4.740 0.002 0.000 0.178 143 N C 1.557 177.128 175.510 0.101 0.000 1.060 143 N CA 0.042 53.140 53.050 0.079 0.000 0.901 143 N CB 0.076 38.627 38.487 0.107 0.000 0.979 143 N HN 0.292 nan 8.380 nan 0.000 0.451 144 R N 1.255 121.828 120.500 0.121 0.000 2.094 144 R HA -0.106 4.236 4.340 0.002 0.000 0.239 144 R C -0.864 175.516 176.300 0.132 0.000 1.137 144 R CA 1.690 57.890 56.100 0.166 0.000 0.943 144 R CB -0.873 29.491 30.300 0.107 0.000 0.850 144 R HN 0.148 nan 8.270 nan 0.000 0.433 145 P HA -0.166 nan 4.420 nan 0.000 0.215 145 P C 1.338 178.604 177.300 -0.057 0.000 1.153 145 P CA 0.913 64.037 63.100 0.041 0.000 0.853 145 P CB -0.150 31.573 31.700 0.038 0.000 0.788 146 L N -1.217 119.852 121.223 -0.257 0.000 1.971 146 L HA -0.169 4.172 4.340 0.002 0.000 0.215 146 L C 2.221 178.993 176.870 -0.163 0.000 1.072 146 L CA 2.147 56.675 54.840 -0.521 0.000 0.758 146 L CB -1.442 40.076 42.059 -0.902 0.000 0.889 146 L HN -0.181 nan 8.230 nan 0.000 0.433 147 F N -0.165 119.828 119.950 0.073 0.000 2.325 147 F HA -0.056 4.473 4.527 0.003 0.000 0.299 147 F C 2.567 178.469 175.800 0.170 0.000 1.090 147 F CA 1.217 59.312 58.000 0.158 0.000 1.392 147 F CB -0.726 38.392 39.000 0.197 0.000 1.053 147 F HN 0.245 nan 8.300 nan 0.000 0.521 148 E N -0.317 120.074 120.200 0.319 0.000 2.150 148 E HA -0.228 4.124 4.350 0.002 0.000 0.193 148 E C 2.077 178.793 176.600 0.194 0.000 0.985 148 E CA 0.794 57.326 56.400 0.219 0.000 0.814 148 E CB -0.348 29.452 29.700 0.166 0.000 0.752 148 E HN 0.361 nan 8.360 nan 0.000 0.466 149 F N 0.378 120.354 119.950 0.043 0.000 2.202 149 F HA -0.119 4.410 4.527 0.003 0.000 0.301 149 F C 1.286 177.110 175.800 0.040 0.000 1.082 149 F CA 1.124 59.126 58.000 0.003 0.000 1.313 149 F CB 0.245 39.201 39.000 -0.074 0.000 1.024 149 F HN -0.010 nan 8.300 nan 0.000 0.495 150 L N -0.286 121.123 121.223 0.309 0.000 2.685 150 L HA 0.295 4.637 4.340 0.002 0.000 0.233 150 L C 1.383 178.399 176.870 0.245 0.000 1.173 150 L CA 0.427 55.434 54.840 0.277 0.000 0.961 150 L CB -0.499 41.774 42.059 0.357 0.000 1.217 150 L HN 0.329 nan 8.230 nan 0.000 0.478 151 G N 0.566 109.464 108.800 0.163 0.000 2.160 151 G HA2 -0.272 3.690 3.960 0.002 0.000 0.251 151 G HA3 -0.272 3.690 3.960 0.002 0.000 0.251 151 G C -0.014 174.975 174.900 0.148 0.000 1.008 151 G CA 0.198 45.371 45.100 0.121 0.000 0.724 151 G HN 0.283 nan 8.290 nan 0.000 0.514 152 L N 0.002 121.348 121.223 0.205 0.000 2.313 152 L HA 0.836 5.178 4.340 0.002 0.000 0.268 152 L C 0.952 177.914 176.870 0.153 0.000 1.010 152 L CA -0.527 54.405 54.840 0.153 0.000 0.814 152 L CB 2.101 44.245 42.059 0.143 0.000 1.304 152 L HN 0.315 nan 8.230 nan 0.000 0.441 153 T N -1.536 113.080 114.554 0.103 0.000 2.950 153 T HA 0.772 5.124 4.350 0.002 0.000 0.288 153 T C -0.638 174.136 174.700 0.124 0.000 1.035 153 T CA -0.756 61.414 62.100 0.117 0.000 1.028 153 T CB 2.047 70.971 68.868 0.092 0.000 1.109 153 T HN 0.215 nan 8.240 nan 0.000 0.514 154 V N 0.596 120.604 119.914 0.158 0.000 2.638 154 V HA 0.783 4.904 4.120 0.002 0.000 0.306 154 V C 0.447 176.641 176.094 0.166 0.000 1.052 154 V CA -0.679 61.744 62.300 0.205 0.000 0.885 154 V CB 1.815 33.817 31.823 0.298 0.000 0.999 154 V HN 1.330 nan 8.190 nan 0.000 0.424 155 G N 2.973 111.877 108.800 0.174 0.000 2.448 155 G HA2 0.746 4.708 3.960 0.002 0.000 0.324 155 G HA3 0.746 4.708 3.960 0.002 0.000 0.324 155 G C -1.649 173.326 174.900 0.125 0.000 1.203 155 G CA -0.610 44.559 45.100 0.115 0.000 0.954 155 G HN 0.624 nan 8.290 nan 0.000 0.480 156 I N 0.788 121.390 120.570 0.052 0.000 2.466 156 I HA 0.535 4.707 4.170 0.002 0.000 0.289 156 I C -1.289 174.799 176.117 -0.050 0.000 1.026 156 I CA -1.275 60.040 61.300 0.025 0.000 1.078 156 I CB 2.039 40.048 38.000 0.015 0.000 1.249 156 I HN 0.346 nan 8.210 nan 0.000 0.429 157 N N 7.464 126.091 118.700 -0.121 0.000 2.417 157 N HA 0.681 5.422 4.740 0.002 0.000 0.274 157 N C -1.819 173.615 175.510 -0.127 0.000 0.987 157 N CA -0.272 52.673 53.050 -0.174 0.000 0.912 157 N CB 1.028 39.284 38.487 -0.384 0.000 1.177 157 N HN 0.623 nan 8.380 nan 0.000 0.490 158 L N 3.149 124.337 121.223 -0.058 0.000 2.371 158 L HA 0.666 5.007 4.340 0.002 0.000 0.262 158 L C -2.187 174.680 176.870 -0.005 0.000 1.006 158 L CA -2.278 52.544 54.840 -0.030 0.000 0.818 158 L CB 2.464 44.515 42.059 -0.014 0.000 1.354 158 L HN 0.409 nan 8.230 nan 0.000 0.415 159 P HA 0.084 nan 4.420 nan 0.000 0.264 159 P C 0.758 178.060 177.300 0.002 0.000 1.193 159 P CA 0.798 63.904 63.100 0.010 0.000 0.763 159 P CB 0.819 32.527 31.700 0.013 0.000 0.810 160 G N 2.429 111.228 108.800 -0.002 0.000 2.241 160 G HA2 -0.321 3.641 3.960 0.002 0.000 0.244 160 G HA3 -0.321 3.641 3.960 0.002 0.000 0.244 160 G C 0.301 175.207 174.900 0.009 0.000 0.998 160 G CA 0.100 45.199 45.100 -0.002 0.000 0.621 160 G HN 0.585 nan 8.290 nan 0.000 0.519 161 M N 2.929 122.539 119.600 0.016 0.000 2.290 161 M HA 0.290 4.772 4.480 0.002 0.000 0.356 161 M C -1.619 174.701 176.300 0.034 0.000 1.448 161 M CA -0.727 54.588 55.300 0.024 0.000 0.993 161 M CB 0.366 32.983 32.600 0.028 0.000 1.934 161 M HN 0.096 nan 8.290 nan 0.000 0.461 162 P HA 0.099 nan 4.420 nan 0.000 0.272 162 P C -0.386 176.944 177.300 0.050 0.000 1.223 162 P CA -0.091 63.030 63.100 0.035 0.000 0.784 162 P CB 0.536 32.253 31.700 0.028 0.000 0.923 163 A N 4.282 127.131 122.820 0.048 0.000 1.940 163 A HA -0.115 4.207 4.320 0.002 0.000 0.219 163 A C -0.510 177.116 177.584 0.069 0.000 1.176 163 A CA 1.834 53.907 52.037 0.060 0.000 0.631 163 A CB -2.401 16.624 19.000 0.043 0.000 0.814 163 A HN 0.469 nan 8.150 nan 0.000 0.446 164 P HA -0.140 nan 4.420 nan 0.000 0.214 164 P C 1.851 179.194 177.300 0.072 0.000 1.163 164 P CA 2.015 65.150 63.100 0.058 0.000 0.883 164 P CB -0.188 31.538 31.700 0.044 0.000 0.788 165 A N 0.051 122.909 122.820 0.064 0.000 1.892 165 A HA -0.293 4.029 4.320 0.002 0.000 0.218 165 A C 2.176 179.815 177.584 0.092 0.000 1.188 165 A CA 2.283 54.360 52.037 0.066 0.000 0.631 165 A CB -1.374 17.655 19.000 0.048 0.000 0.822 165 A HN 0.119 nan 8.150 nan 0.000 0.447 166 K N -0.959 119.511 120.400 0.116 0.000 2.074 166 K HA -0.173 4.149 4.320 0.002 0.000 0.209 166 K C 2.384 179.177 176.600 0.322 0.000 1.048 166 K CA 1.757 58.165 56.287 0.202 0.000 0.926 166 K CB -0.189 32.442 32.500 0.218 0.000 0.713 166 K HN 0.420 nan 8.250 nan 0.000 0.444 167 R N 0.594 121.226 120.500 0.221 0.000 2.075 167 R HA -0.095 4.247 4.340 0.002 0.000 0.232 167 R C 2.164 178.585 176.300 0.202 0.000 1.126 167 R CA 1.207 57.434 56.100 0.212 0.000 0.963 167 R CB -0.044 30.326 30.300 0.118 0.000 0.858 167 R HN 0.299 nan 8.270 nan 0.000 0.435 168 E N 0.439 120.727 120.200 0.146 0.000 2.058 168 E HA -0.212 4.140 4.350 0.002 0.000 0.194 168 E C 2.050 178.727 176.600 0.128 0.000 0.997 168 E CA 1.307 57.779 56.400 0.121 0.000 0.801 168 E CB -0.138 29.615 29.700 0.088 0.000 0.746 168 E HN 0.336 nan 8.360 nan 0.000 0.450 169 A N 0.636 123.522 122.820 0.110 0.000 1.908 169 A HA -0.201 4.120 4.320 0.002 0.000 0.218 169 A C 1.852 179.467 177.584 0.051 0.000 1.181 169 A CA 1.397 53.458 52.037 0.040 0.000 0.627 169 A CB -0.872 18.093 19.000 -0.059 0.000 0.818 169 A HN 0.312 nan 8.150 nan 0.000 0.445 170 Y N -0.794 119.591 120.300 0.142 0.000 2.516 170 Y HA 0.133 4.684 4.550 0.002 0.000 0.291 170 Y C 2.494 178.495 175.900 0.168 0.000 1.131 170 Y CA 0.589 58.807 58.100 0.196 0.000 1.281 170 Y CB 0.035 38.612 38.460 0.196 0.000 1.013 170 Y HN 0.350 nan 8.280 nan 0.000 0.554 171 A N -0.071 122.908 122.820 0.265 0.000 2.238 171 A HA 0.456 4.778 4.320 0.002 0.000 0.210 171 A C 1.378 179.039 177.584 0.129 0.000 1.179 171 A CA 0.318 52.460 52.037 0.175 0.000 0.827 171 A CB -0.609 18.468 19.000 0.129 0.000 0.856 171 A HN 0.188 nan 8.150 nan 0.000 0.488 172 A N 0.266 123.163 122.820 0.129 0.000 2.425 172 A HA 0.271 4.592 4.320 0.002 0.000 0.242 172 A C 0.846 178.483 177.584 0.089 0.000 1.077 172 A CA 0.172 52.269 52.037 0.101 0.000 0.781 172 A CB 0.187 19.249 19.000 0.104 0.000 1.020 172 A HN 0.396 nan 8.150 nan 0.000 0.494 173 D N 0.041 120.472 120.400 0.051 0.000 2.133 173 D HA -0.137 4.504 4.640 0.002 0.000 0.192 173 D C 0.229 176.520 176.300 -0.015 0.000 1.001 173 D CA 1.863 55.865 54.000 0.004 0.000 0.844 173 D CB -0.078 40.699 40.800 -0.039 0.000 0.944 173 D HN 0.528 nan 8.370 nan 0.000 0.447 174 I N -0.161 120.398 120.570 -0.019 0.000 2.534 174 I HA 0.126 4.298 4.170 0.002 0.000 0.288 174 I C -0.608 175.541 176.117 0.052 0.000 1.077 174 I CA -0.341 60.931 61.300 -0.048 0.000 1.051 174 I CB 2.629 40.502 38.000 -0.212 0.000 1.234 174 I HN -0.362 nan 8.210 nan 0.000 0.425 175 T N 4.525 119.104 114.554 0.042 0.000 2.823 175 T HA 0.582 4.933 4.350 0.002 0.000 0.279 175 T C -0.987 173.675 174.700 -0.063 0.000 0.998 175 T CA -0.478 61.667 62.100 0.075 0.000 0.994 175 T CB 0.838 69.770 68.868 0.107 0.000 0.960 175 T HN 0.189 nan 8.240 nan 0.000 0.448 176 Y N 0.625 120.973 120.300 0.081 0.000 2.409 176 Y HA 0.711 5.263 4.550 0.002 0.000 0.339 176 Y C 0.802 176.673 175.900 -0.048 0.000 1.033 176 Y CA -0.399 57.744 58.100 0.071 0.000 1.094 176 Y CB 2.453 40.935 38.460 0.037 0.000 1.210 176 Y HN 0.980 nan 8.280 nan 0.000 0.456 177 G N 0.067 108.897 108.800 0.050 0.000 2.368 177 G HA2 0.392 4.353 3.960 0.002 0.000 0.293 177 G HA3 0.392 4.353 3.960 0.002 0.000 0.293 177 G C -1.146 173.656 174.900 -0.163 0.000 1.467 177 G CA -0.923 44.028 45.100 -0.248 0.000 0.804 177 G HN 0.610 nan 8.290 nan 0.000 0.535 178 T N -0.927 113.536 114.554 -0.152 0.000 2.882 178 T HA 0.321 4.672 4.350 0.002 0.000 0.287 178 T C 1.763 176.537 174.700 0.123 0.000 1.014 178 T CA 0.337 62.445 62.100 0.014 0.000 1.049 178 T CB 1.209 70.101 68.868 0.040 0.000 1.001 178 T HN 0.763 nan 8.240 nan 0.000 0.525 179 N N 2.848 121.704 118.700 0.260 0.000 2.060 179 N HA -0.255 4.487 4.740 0.002 0.000 0.195 179 N C 1.305 177.091 175.510 0.459 0.000 1.028 179 N CA 1.813 55.147 53.050 0.473 0.000 0.861 179 N CB -1.120 37.474 38.487 0.178 0.000 1.029 179 N HN 0.684 nan 8.380 nan 0.000 0.428 180 N N 0.610 119.506 118.700 0.326 0.000 2.069 180 N HA -0.180 4.561 4.740 0.002 0.000 0.191 180 N C 1.548 177.173 175.510 0.191 0.000 1.031 180 N CA 1.506 54.734 53.050 0.296 0.000 0.852 180 N CB -0.262 38.421 38.487 0.327 0.000 1.018 180 N HN 0.398 nan 8.380 nan 0.000 0.423 181 E N 0.378 120.688 120.200 0.184 0.000 2.152 181 E HA -0.096 4.256 4.350 0.002 0.000 0.192 181 E C 1.593 178.262 176.600 0.114 0.000 0.983 181 E CA 0.835 57.329 56.400 0.157 0.000 0.818 181 E CB -0.195 29.521 29.700 0.026 0.000 0.758 181 E HN 0.328 nan 8.360 nan 0.000 0.467 182 Y N -0.070 120.305 120.300 0.124 0.000 2.053 182 Y HA -0.121 4.430 4.550 0.002 0.000 0.277 182 Y C 2.431 178.190 175.900 -0.234 0.000 1.159 182 Y CA 1.633 59.791 58.100 0.097 0.000 1.125 182 Y CB -1.180 37.420 38.460 0.234 0.000 0.969 182 Y HN 0.201 nan 8.280 nan 0.000 0.492 183 G N -0.925 107.585 108.800 -0.484 0.000 2.469 183 G HA2 -0.277 3.685 3.960 0.002 0.000 0.219 183 G HA3 -0.277 3.685 3.960 0.002 0.000 0.219 183 G C 1.500 176.205 174.900 -0.324 0.000 1.150 183 G CA 1.083 45.662 45.100 -0.867 0.000 0.763 183 G HN 0.305 nan 8.290 nan 0.000 0.561 184 F N 1.398 121.304 119.950 -0.073 0.000 2.186 184 F HA 0.044 4.572 4.527 0.002 0.000 0.299 184 F C 2.444 178.266 175.800 0.035 0.000 1.090 184 F CA 1.012 59.011 58.000 -0.002 0.000 1.307 184 F CB -0.279 38.730 39.000 0.016 0.000 1.019 184 F HN 0.065 nan 8.300 nan 0.000 0.489 185 D N -0.978 119.569 120.400 0.245 0.000 2.123 185 D HA -0.256 4.385 4.640 0.002 0.000 0.196 185 D C 2.078 178.444 176.300 0.110 0.000 0.992 185 D CA 1.317 55.424 54.000 0.179 0.000 0.833 185 D CB -0.748 40.203 40.800 0.253 0.000 0.954 185 D HN 0.305 nan 8.370 nan 0.000 0.455 186 Y N 1.515 121.839 120.300 0.041 0.000 2.097 186 Y HA -0.216 4.336 4.550 0.002 0.000 0.282 186 Y C 2.325 178.244 175.900 0.032 0.000 1.152 186 Y CA 1.486 59.617 58.100 0.052 0.000 1.136 186 Y CB -0.484 38.076 38.460 0.167 0.000 0.975 186 Y HN -0.080 nan 8.280 nan 0.000 0.498 187 L N -0.215 121.087 121.223 0.131 0.000 2.012 187 L HA -0.285 4.057 4.340 0.002 0.000 0.210 187 L C 2.603 179.449 176.870 -0.040 0.000 1.073 187 L CA 1.887 56.778 54.840 0.084 0.000 0.748 187 L CB -0.589 41.601 42.059 0.218 0.000 0.891 187 L HN 0.207 nan 8.230 nan 0.000 0.431 188 R N -0.270 120.235 120.500 0.008 0.000 2.090 188 R HA -0.124 4.217 4.340 0.002 0.000 0.228 188 R C 1.868 178.105 176.300 -0.105 0.000 1.110 188 R CA 1.209 57.300 56.100 -0.015 0.000 0.973 188 R CB -0.375 29.942 30.300 0.028 0.000 0.869 188 R HN 0.304 nan 8.270 nan 0.000 0.440 189 D N 0.619 120.920 120.400 -0.165 0.000 2.203 189 D HA -0.158 4.483 4.640 0.002 0.000 0.199 189 D C 1.044 177.138 176.300 -0.343 0.000 0.997 189 D CA 1.129 54.983 54.000 -0.242 0.000 0.863 189 D CB -0.263 40.370 40.800 -0.279 0.000 0.928 189 D HN 0.224 nan 8.370 nan 0.000 0.458 190 N N -0.472 117.947 118.700 -0.468 0.000 2.383 190 N HA 0.082 4.824 4.740 0.002 0.000 0.192 190 N C 0.908 176.152 175.510 -0.444 0.000 1.141 190 N CA 0.125 52.793 53.050 -0.636 0.000 0.851 190 N CB 0.338 38.093 38.487 -1.221 0.000 0.976 190 N HN 0.305 nan 8.380 nan 0.000 0.465 191 M N -0.238 119.219 119.600 -0.239 0.000 2.333 191 M HA 0.250 4.731 4.480 0.002 0.000 0.257 191 M C 0.522 176.779 176.300 -0.071 0.000 1.078 191 M CA -0.214 55.022 55.300 -0.107 0.000 1.005 191 M CB 0.805 33.417 32.600 0.020 0.000 1.444 191 M HN -0.097 nan 8.290 nan 0.000 0.496 192 A N 0.044 122.784 122.820 -0.132 0.000 2.445 192 A HA 0.304 4.625 4.320 0.002 0.000 0.242 192 A C 0.025 177.496 177.584 -0.189 0.000 1.075 192 A CA 0.115 52.117 52.037 -0.058 0.000 0.777 192 A CB 0.025 18.980 19.000 -0.075 0.000 1.013 192 A HN 0.430 nan 8.150 nan 0.000 0.493 193 F N 0.660 120.588 119.950 -0.037 0.000 2.678 193 F HA 0.215 4.743 4.527 0.001 0.000 0.305 193 F C 1.226 177.024 175.800 -0.005 0.000 1.090 193 F CA 1.045 59.033 58.000 -0.019 0.000 1.272 193 F CB 0.485 39.483 39.000 -0.003 0.000 1.060 193 F HN 0.602 nan 8.300 nan 0.000 0.576 194 S N -1.367 114.380 115.700 0.080 0.000 2.537 194 S HA 0.405 4.876 4.470 0.002 0.000 0.270 194 S C -2.452 172.148 174.600 0.000 0.000 1.142 194 S CA -1.300 56.930 58.200 0.050 0.000 0.870 194 S CB 1.878 65.132 63.200 0.089 0.000 1.112 194 S HN -0.246 nan 8.310 nan 0.000 0.466 195 P HA -0.126 nan 4.420 nan 0.000 0.216 195 P C 1.220 178.508 177.300 -0.020 0.000 1.150 195 P CA 1.405 64.486 63.100 -0.031 0.000 0.837 195 P CB -0.092 31.593 31.700 -0.024 0.000 0.786 196 E N 0.664 120.865 120.200 0.002 0.000 2.338 196 E HA -0.175 4.176 4.350 0.002 0.000 0.197 196 E C 1.451 178.054 176.600 0.006 0.000 1.007 196 E CA 0.885 57.289 56.400 0.007 0.000 0.849 196 E CB -0.934 28.776 29.700 0.018 0.000 0.774 196 E HN 0.436 nan 8.360 nan 0.000 0.506 197 E N 0.989 121.191 120.200 0.004 0.000 2.347 197 E HA -0.018 4.334 4.350 0.002 0.000 0.196 197 E C 0.464 177.054 176.600 -0.018 0.000 1.008 197 E CA 0.025 56.428 56.400 0.005 0.000 0.852 197 E CB 0.013 29.724 29.700 0.018 0.000 0.783 197 E HN 0.184 nan 8.360 nan 0.000 0.505 198 R N 0.891 121.365 120.500 -0.043 0.000 2.623 198 R HA 0.000 4.342 4.340 0.002 0.000 0.271 198 R C 1.335 177.594 176.300 -0.068 0.000 1.043 198 R CA -0.026 56.027 56.100 -0.078 0.000 1.083 198 R CB 0.911 31.154 30.300 -0.095 0.000 0.974 198 R HN 0.053 nan 8.270 nan 0.000 0.436 199 V N -0.613 119.237 119.914 -0.107 0.000 3.431 199 V HA 0.076 4.198 4.120 0.002 0.000 0.253 199 V C 0.649 176.547 176.094 -0.326 0.000 1.184 199 V CA 0.435 62.671 62.300 -0.107 0.000 1.104 199 V CB -0.080 31.731 31.823 -0.020 0.000 0.799 199 V HN 0.569 nan 8.190 nan 0.000 0.462 200 Q N 0.657 120.192 119.800 -0.443 0.000 2.180 200 Q HA 0.571 4.913 4.340 0.002 0.000 0.241 200 Q C -0.511 175.388 176.000 -0.169 0.000 0.970 200 Q CA -0.773 54.652 55.803 -0.630 0.000 0.919 200 Q CB 1.794 30.280 28.738 -0.419 0.000 1.222 200 Q HN 0.447 nan 8.270 nan 0.000 0.482 201 R N 0.349 120.846 120.500 -0.005 0.000 2.719 201 R HA 0.302 4.644 4.340 0.002 0.000 0.233 201 R C -0.218 176.095 176.300 0.022 0.000 1.257 201 R CA -0.932 55.185 56.100 0.029 0.000 1.109 201 R CB 0.519 30.865 30.300 0.076 0.000 1.447 201 R HN 0.430 nan 8.270 nan 0.000 0.537 202 K N 1.371 121.773 120.400 0.002 0.000 2.527 202 K HA -0.037 4.285 4.320 0.002 0.000 0.278 202 K C -0.667 175.910 176.600 -0.037 0.000 0.981 202 K CA 0.196 56.473 56.287 -0.017 0.000 1.009 202 K CB 0.289 32.778 32.500 -0.018 0.000 0.895 202 K HN 0.378 nan 8.250 nan 0.000 0.493 203 L N 5.812 126.949 121.223 -0.143 0.000 2.363 203 L HA 0.115 4.456 4.340 0.002 0.000 0.286 203 L C 1.379 178.147 176.870 -0.169 0.000 1.106 203 L CA -0.331 54.275 54.840 -0.391 0.000 0.859 203 L CB 0.351 41.786 42.059 -1.039 0.000 1.223 203 L HN 0.798 nan 8.230 nan 0.000 0.446 204 H N 3.854 122.875 119.070 -0.082 0.000 2.315 204 H HA 0.070 4.629 4.556 0.004 0.000 0.318 204 H C -0.714 174.755 175.328 0.235 0.000 1.068 204 H CA 0.161 56.235 56.048 0.043 0.000 1.465 204 H CB 0.774 30.536 29.762 0.000 0.000 1.475 204 H HN 0.441 nan 8.280 nan 0.000 0.597 205 Y N 0.877 121.078 120.300 -0.165 0.000 2.386 205 Y HA 0.551 5.102 4.550 0.002 0.000 0.334 205 Y C -1.492 174.246 175.900 -0.271 0.000 1.002 205 Y CA -0.940 56.975 58.100 -0.307 0.000 1.068 205 Y CB 1.398 39.558 38.460 -0.500 0.000 1.203 205 Y HN 0.355 nan 8.280 nan 0.000 0.443 206 A N 5.843 128.172 122.820 -0.818 0.000 2.331 206 A HA 0.714 5.036 4.320 0.002 0.000 0.320 206 A C -2.199 174.768 177.584 -1.028 0.000 1.138 206 A CA -0.648 50.816 52.037 -0.955 0.000 0.790 206 A CB 1.090 19.405 19.000 -1.143 0.000 1.206 206 A HN 0.686 nan 8.150 nan 0.000 0.470 207 L N 4.022 124.753 121.223 -0.819 0.000 2.353 207 L HA 0.555 4.896 4.340 0.002 0.000 0.270 207 L C -1.034 175.607 176.870 -0.381 0.000 1.003 207 L CA -0.289 54.184 54.840 -0.611 0.000 0.862 207 L CB 1.318 43.082 42.059 -0.492 0.000 1.221 207 L HN 0.384 nan 8.230 nan 0.000 0.430 208 V N 5.343 125.024 119.914 -0.387 0.000 2.432 208 V HA 0.254 4.376 4.120 0.002 0.000 0.275 208 V C 0.662 176.619 176.094 -0.229 0.000 1.043 208 V CA -0.286 61.809 62.300 -0.343 0.000 0.925 208 V CB 1.293 32.827 31.823 -0.481 0.000 0.985 208 V HN 0.668 nan 8.190 nan 0.000 0.466 209 D N 2.943 123.252 120.400 -0.151 0.000 2.194 209 D HA -0.033 4.608 4.640 0.002 0.000 0.204 209 D C 1.015 177.259 176.300 -0.093 0.000 0.964 209 D CA 1.068 55.013 54.000 -0.090 0.000 0.846 209 D CB 0.407 41.188 40.800 -0.032 0.000 0.962 209 D HN 0.829 nan 8.370 nan 0.000 0.490 210 E N 0.034 120.167 120.200 -0.111 0.000 2.908 210 E HA 0.146 4.497 4.350 0.002 0.000 0.291 210 E C 0.684 177.221 176.600 -0.104 0.000 1.154 210 E CA -0.219 56.129 56.400 -0.086 0.000 0.784 210 E CB 0.889 30.558 29.700 -0.052 0.000 1.500 210 E HN -0.088 nan 8.360 nan 0.000 0.382 211 V N 0.608 120.448 119.914 -0.123 0.000 2.759 211 V HA -0.130 3.992 4.120 0.002 0.000 0.256 211 V C 1.387 177.533 176.094 0.085 0.000 1.080 211 V CA 1.581 63.821 62.300 -0.100 0.000 1.101 211 V CB -0.311 31.371 31.823 -0.236 0.000 0.698 211 V HN 0.429 nan 8.190 nan 0.000 0.477 212 D N 1.863 122.321 120.400 0.096 0.000 2.097 212 D HA -0.134 4.508 4.640 0.002 0.000 0.195 212 D C 2.566 178.875 176.300 0.016 0.000 0.989 212 D CA 2.260 56.315 54.000 0.092 0.000 0.827 212 D CB -0.250 40.581 40.800 0.052 0.000 0.966 212 D HN 0.736 nan 8.370 nan 0.000 0.456 213 S N 0.128 115.818 115.700 -0.015 0.000 2.348 213 S HA -0.017 4.455 4.470 0.002 0.000 0.219 213 S C 2.322 176.878 174.600 -0.074 0.000 1.033 213 S CA 0.266 58.443 58.200 -0.039 0.000 0.974 213 S CB -0.633 62.540 63.200 -0.045 0.000 0.868 213 S HN 0.185 nan 8.310 nan 0.000 0.459 214 I N 1.250 121.749 120.570 -0.117 0.000 2.286 214 I HA -0.088 4.084 4.170 0.002 0.000 0.248 214 I C 2.189 178.208 176.117 -0.163 0.000 1.115 214 I CA 1.245 62.420 61.300 -0.209 0.000 1.392 214 I CB -0.187 37.651 38.000 -0.269 0.000 1.065 214 I HN 0.277 nan 8.210 nan 0.000 0.418 215 L N -0.925 120.251 121.223 -0.078 0.000 2.467 215 L HA 0.064 4.405 4.340 0.002 0.000 0.213 215 L C 2.130 179.116 176.870 0.193 0.000 1.053 215 L CA 0.119 54.978 54.840 0.032 0.000 0.847 215 L CB 0.028 41.983 42.059 -0.174 0.000 1.075 215 L HN 0.092 nan 8.230 nan 0.000 0.479 216 I N 0.019 120.626 120.570 0.061 0.000 2.594 216 I HA -0.092 4.080 4.170 0.002 0.000 0.237 216 I C 1.986 178.114 176.117 0.019 0.000 1.071 216 I CA 1.072 62.357 61.300 -0.024 0.000 1.427 216 I CB -1.095 36.788 38.000 -0.195 0.000 1.218 216 I HN 0.150 nan 8.210 nan 0.000 0.444 217 D N 1.116 121.518 120.400 0.003 0.000 2.182 217 D HA -0.178 4.463 4.640 0.002 0.000 0.201 217 D C 1.713 178.043 176.300 0.050 0.000 0.986 217 D CA 1.207 55.216 54.000 0.016 0.000 0.847 217 D CB 0.009 40.811 40.800 0.003 0.000 0.942 217 D HN 0.437 nan 8.370 nan 0.000 0.467 218 E N -0.400 119.835 120.200 0.059 0.000 2.498 218 E HA 0.212 4.564 4.350 0.002 0.000 0.203 218 E C 1.800 178.549 176.600 0.248 0.000 1.013 218 E CA -0.055 56.405 56.400 0.099 0.000 0.927 218 E CB 0.682 30.340 29.700 -0.069 0.000 1.012 218 E HN 0.082 nan 8.360 nan 0.000 0.482 219 A N 1.906 124.864 122.820 0.230 0.000 1.929 219 A HA -0.253 4.068 4.320 0.002 0.000 0.221 219 A C 2.049 179.789 177.584 0.259 0.000 1.211 219 A CA 1.582 53.792 52.037 0.288 0.000 0.657 219 A CB -0.368 18.744 19.000 0.187 0.000 0.827 219 A HN 0.131 nan 8.150 nan 0.000 0.462 220 R N -0.854 119.754 120.500 0.180 0.000 2.334 220 R HA 0.077 4.419 4.340 0.002 0.000 0.216 220 R C -0.230 176.139 176.300 0.116 0.000 0.905 220 R CA 0.251 56.422 56.100 0.120 0.000 1.064 220 R CB -0.167 30.173 30.300 0.067 0.000 1.046 220 R HN 0.358 nan 8.270 nan 0.000 0.508 221 T N 4.937 119.610 114.554 0.198 0.000 2.765 221 T HA 0.087 4.438 4.350 0.002 0.000 0.284 221 T C -2.302 172.426 174.700 0.047 0.000 0.946 221 T CA -0.811 61.398 62.100 0.182 0.000 1.185 221 T CB 0.803 69.892 68.868 0.369 0.000 0.887 221 T HN 0.054 nan 8.240 nan 0.000 0.532 222 P HA 0.289 nan 4.420 nan 0.000 0.280 222 P C -0.492 176.714 177.300 -0.156 0.000 1.244 222 P CA -0.493 62.549 63.100 -0.097 0.000 0.784 222 P CB 0.633 32.308 31.700 -0.042 0.000 0.913 223 L N 4.272 125.306 121.223 -0.315 0.000 2.276 223 L HA 0.478 4.820 4.340 0.002 0.000 0.286 223 L C 0.417 177.257 176.870 -0.050 0.000 1.061 223 L CA -0.431 54.200 54.840 -0.348 0.000 0.807 223 L CB 0.454 42.022 42.059 -0.819 0.000 1.177 223 L HN 0.260 nan 8.230 nan 0.000 0.429 224 I N 4.334 125.020 120.570 0.194 0.000 2.499 224 I HA 0.380 4.552 4.170 0.002 0.000 0.288 224 I C -0.456 175.829 176.117 0.280 0.000 1.048 224 I CA -0.434 60.978 61.300 0.186 0.000 1.062 224 I CB 2.476 40.539 38.000 0.106 0.000 1.238 224 I HN 0.393 nan 8.210 nan 0.000 0.426 225 I N 5.229 125.924 120.570 0.209 0.000 2.339 225 I HA 0.369 4.540 4.170 0.002 0.000 0.290 225 I C -0.049 176.121 176.117 0.089 0.000 0.994 225 I CA -0.187 61.197 61.300 0.139 0.000 1.191 225 I CB 1.433 39.519 38.000 0.143 0.000 1.343 225 I HN 0.524 nan 8.210 nan 0.000 0.458 226 S N 4.193 119.924 115.700 0.052 0.000 2.621 226 S HA 0.951 5.423 4.470 0.002 0.000 0.302 226 S C -0.012 174.604 174.600 0.026 0.000 1.093 226 S CA -0.830 57.392 58.200 0.035 0.000 1.017 226 S CB 2.689 65.903 63.200 0.023 0.000 1.077 226 S HN 0.897 nan 8.310 nan 0.000 0.517 227 G N 0.032 108.847 108.800 0.026 0.000 2.720 227 G HA2 0.569 4.530 3.960 0.002 0.000 0.295 227 G HA3 0.569 4.530 3.960 0.002 0.000 0.295 227 G C -3.075 171.837 174.900 0.021 0.000 1.437 227 G CA -1.351 43.763 45.100 0.022 0.000 0.886 227 G HN 0.394 nan 8.290 nan 0.000 0.509 228 P HA 0.025 nan 4.420 nan 0.000 0.220 228 P C 1.417 178.731 177.300 0.023 0.000 1.148 228 P CA 1.209 64.318 63.100 0.015 0.000 0.803 228 P CB 0.174 31.879 31.700 0.007 0.000 0.782 229 A N 0.412 123.248 122.820 0.027 0.000 2.273 229 A HA -0.193 4.128 4.320 0.002 0.000 0.325 229 A C 0.304 177.915 177.584 0.045 0.000 1.483 229 A CA 1.253 53.313 52.037 0.038 0.000 1.397 229 A CB -1.762 17.268 19.000 0.049 0.000 0.707 229 A HN 0.274 nan 8.150 nan 0.000 0.357 230 E N 0.175 120.400 120.200 0.041 0.000 2.433 230 E HA 0.396 4.747 4.350 0.002 0.000 0.273 230 E C -1.019 175.613 176.600 0.052 0.000 0.950 230 E CA -1.088 55.340 56.400 0.048 0.000 0.796 230 E CB 1.094 30.820 29.700 0.043 0.000 1.330 230 E HN 0.534 nan 8.360 nan 0.000 0.455 231 D N 0.754 121.194 120.400 0.066 0.000 2.419 231 D HA 0.031 4.673 4.640 0.002 0.000 0.236 231 D C 0.489 176.825 176.300 0.060 0.000 1.165 231 D CA 0.296 54.339 54.000 0.072 0.000 0.882 231 D CB 0.706 41.565 40.800 0.098 0.000 1.201 231 D HN 0.354 nan 8.370 nan 0.000 0.443 232 S N 0.780 116.510 115.700 0.050 0.000 2.206 232 S HA 0.346 4.817 4.470 0.002 0.000 0.233 232 S C 0.833 175.457 174.600 0.040 0.000 1.255 232 S CA -0.110 58.108 58.200 0.030 0.000 1.010 232 S CB 0.558 63.771 63.200 0.022 0.000 0.970 232 S HN 0.351 nan 8.310 nan 0.000 0.437 233 S N -1.380 114.335 115.700 0.025 0.000 3.617 233 S HA 0.508 4.979 4.470 0.002 0.000 0.220 233 S C -0.063 174.572 174.600 0.058 0.000 1.040 233 S CA 0.586 58.813 58.200 0.044 0.000 1.454 233 S CB -0.300 62.890 63.200 -0.017 0.000 1.045 233 S HN 0.851 nan 8.310 nan 0.000 0.658 234 E N -0.746 119.487 120.200 0.055 0.000 4.798 234 E HA -0.301 4.051 4.350 0.002 0.000 0.165 234 E C 1.367 177.985 176.600 0.030 0.000 1.032 234 E CA 1.737 58.161 56.400 0.040 0.000 2.424 234 E CB -1.854 27.861 29.700 0.025 0.000 1.697 234 E HN 0.673 nan 8.360 nan 0.000 0.529 235 M N -1.135 118.483 119.600 0.029 0.000 2.151 235 M HA -0.282 4.199 4.480 0.002 0.000 0.256 235 M C 1.958 178.186 176.300 -0.119 0.000 1.072 235 M CA 2.527 57.774 55.300 -0.089 0.000 1.090 235 M CB -0.877 31.704 32.600 -0.031 0.000 1.294 235 M HN 0.182 nan 8.290 nan 0.000 0.415 236 Y N 0.441 120.682 120.300 -0.099 0.000 2.242 236 Y HA -0.028 4.524 4.550 0.002 0.000 0.291 236 Y C 2.666 178.552 175.900 -0.022 0.000 1.137 236 Y CA 1.376 59.468 58.100 -0.013 0.000 1.181 236 Y CB -0.339 38.158 38.460 0.062 0.000 0.989 236 Y HN 0.221 nan 8.280 nan 0.000 0.527 237 K N -0.266 120.211 120.400 0.129 0.000 2.242 237 K HA 0.035 4.357 4.320 0.002 0.000 0.200 237 K C 2.099 178.718 176.600 0.033 0.000 1.050 237 K CA 0.353 56.686 56.287 0.077 0.000 0.981 237 K CB 0.144 32.684 32.500 0.067 0.000 0.795 237 K HN 0.078 nan 8.250 nan 0.000 0.477 238 R N 0.669 121.174 120.500 0.009 0.000 2.070 238 R HA -0.057 4.285 4.340 0.002 0.000 0.233 238 R C 2.222 178.512 176.300 -0.016 0.000 1.137 238 R CA 0.985 57.080 56.100 -0.008 0.000 0.945 238 R CB -1.021 29.263 30.300 -0.025 0.000 0.845 238 R HN -0.016 nan 8.270 nan 0.000 0.430 239 V N 1.767 121.653 119.914 -0.046 0.000 2.568 239 V HA -0.259 3.863 4.120 0.002 0.000 0.253 239 V C 1.816 177.904 176.094 -0.010 0.000 1.072 239 V CA 1.860 64.130 62.300 -0.050 0.000 1.084 239 V CB -0.694 31.059 31.823 -0.116 0.000 0.676 239 V HN 0.347 nan 8.190 nan 0.000 0.469 240 N N 0.040 118.747 118.700 0.012 0.000 2.166 240 N HA -0.184 4.558 4.740 0.002 0.000 0.186 240 N C 1.771 177.306 175.510 0.042 0.000 1.019 240 N CA 1.102 54.172 53.050 0.034 0.000 0.856 240 N CB -0.214 38.304 38.487 0.051 0.000 0.993 240 N HN 0.332 nan 8.380 nan 0.000 0.426 241 K N 0.511 120.933 120.400 0.037 0.000 2.365 241 K HA 0.101 4.422 4.320 0.002 0.000 0.199 241 K C 1.606 178.247 176.600 0.068 0.000 1.045 241 K CA 0.242 56.559 56.287 0.050 0.000 0.962 241 K CB -0.107 32.414 32.500 0.036 0.000 0.759 241 K HN 0.196 nan 8.250 nan 0.000 0.469 242 I N 0.657 121.258 120.570 0.052 0.000 2.353 242 I HA -0.210 3.962 4.170 0.002 0.000 0.248 242 I C 1.437 177.612 176.117 0.096 0.000 1.119 242 I CA 1.386 62.724 61.300 0.063 0.000 1.417 242 I CB -0.230 37.789 38.000 0.032 0.000 1.078 242 I HN 0.160 nan 8.210 nan 0.000 0.421 243 I N 2.925 123.541 120.570 0.077 0.000 2.248 243 I HA -0.179 3.992 4.170 0.002 0.000 0.248 243 I C -0.601 175.551 176.117 0.059 0.000 1.107 243 I CA 1.160 62.508 61.300 0.079 0.000 1.373 243 I CB -2.074 35.982 38.000 0.093 0.000 1.055 243 I HN 0.252 nan 8.210 nan 0.000 0.418 244 P HA -0.060 nan 4.420 nan 0.000 0.263 244 P C -0.555 176.612 177.300 -0.222 0.000 1.386 244 P CA 1.081 64.147 63.100 -0.055 0.000 0.797 244 P CB -0.461 31.220 31.700 -0.031 0.000 1.381 245 H N -0.233 118.839 119.070 0.003 0.000 2.562 245 H HA 0.380 4.938 4.556 0.002 0.000 0.230 245 H C -0.217 175.108 175.328 -0.006 0.000 1.415 245 H CA -0.186 55.860 56.048 -0.003 0.000 1.454 245 H CB 0.167 29.927 29.762 -0.003 0.000 1.716 245 H HN -0.059 nan 8.280 nan 0.000 0.538 246 L N 2.285 123.533 121.223 0.041 0.000 2.783 246 L HA 0.298 4.639 4.340 0.002 0.000 0.265 246 L C 0.885 177.746 176.870 -0.014 0.000 1.398 246 L CA 0.008 54.859 54.840 0.018 0.000 0.802 246 L CB 0.592 42.655 42.059 0.008 0.000 1.126 246 L HN 0.569 nan 8.230 nan 0.000 0.529 247 I N 1.706 122.276 120.570 -0.001 0.000 3.294 247 I HA -0.176 3.995 4.170 0.002 0.000 0.287 247 I C 1.508 177.613 176.117 -0.019 0.000 1.328 247 I CA 0.751 62.041 61.300 -0.016 0.000 1.375 247 I CB -0.376 37.624 38.000 -0.000 0.000 1.045 247 I HN 0.701 nan 8.210 nan 0.000 0.522 248 R N 0.372 120.862 120.500 -0.017 0.000 3.770 248 R HA -0.269 4.072 4.340 0.002 0.000 0.305 248 R C 0.068 176.360 176.300 -0.013 0.000 1.184 248 R CA 0.786 56.873 56.100 -0.021 0.000 0.823 248 R CB -2.333 27.942 30.300 -0.041 0.000 1.285 248 R HN 0.497 nan 8.270 nan 0.000 0.499 281 L N 0.669 121.912 121.223 0.033 0.000 2.043 281 L HA -0.165 4.177 4.340 0.002 0.000 0.212 281 L C 2.510 179.401 176.870 0.035 0.000 1.075 281 L CA 1.867 56.728 54.840 0.035 0.000 0.752 281 L CB -0.682 41.404 42.059 0.045 0.000 0.891 281 L HN 0.374 nan 8.230 nan 0.000 0.432 282 I N 0.085 120.683 120.570 0.048 0.000 2.252 282 I HA -0.208 3.963 4.170 0.002 0.000 0.245 282 I C 2.673 178.773 176.117 -0.029 0.000 1.102 282 I CA 1.494 62.802 61.300 0.013 0.000 1.385 282 I CB -0.617 37.388 38.000 0.010 0.000 1.064 282 I HN 0.425 nan 8.210 nan 0.000 0.414 283 E N 0.599 120.790 120.200 -0.015 0.000 2.028 283 E HA -0.214 4.137 4.350 0.002 0.000 0.190 283 E C 1.899 178.489 176.600 -0.018 0.000 0.984 283 E CA 0.894 57.280 56.400 -0.022 0.000 0.800 283 E CB -0.062 29.631 29.700 -0.011 0.000 0.758 283 E HN 0.327 nan 8.360 nan 0.000 0.448 284 E N 0.662 120.858 120.200 -0.006 0.000 2.063 284 E HA -0.243 4.108 4.350 0.002 0.000 0.221 284 E C 2.242 178.838 176.600 -0.007 0.000 1.052 284 E CA 1.147 57.545 56.400 -0.003 0.000 0.891 284 E CB -0.638 29.066 29.700 0.007 0.000 0.792 284 E HN 0.162 nan 8.360 nan 0.000 0.482 285 L N 0.577 121.798 121.223 -0.003 0.000 2.011 285 L HA -0.273 4.069 4.340 0.002 0.000 0.225 285 L C 2.619 179.475 176.870 -0.023 0.000 1.084 285 L CA 1.522 56.357 54.840 -0.007 0.000 0.791 285 L CB -1.323 40.735 42.059 -0.002 0.000 0.898 285 L HN 0.218 nan 8.230 nan 0.000 0.440 286 L N -0.647 120.553 121.223 -0.040 0.000 1.963 286 L HA -0.172 4.169 4.340 0.002 0.000 0.220 286 L C 1.805 178.654 176.870 -0.035 0.000 1.076 286 L CA 1.410 56.221 54.840 -0.049 0.000 0.772 286 L CB -1.043 40.977 42.059 -0.066 0.000 0.892 286 L HN 0.083 nan 8.230 nan 0.000 0.435 287 V N 2.330 122.225 119.914 -0.031 0.000 5.451 287 V HA -0.354 3.768 4.120 0.002 0.000 0.205 287 V C 0.840 176.916 176.094 -0.029 0.000 0.716 287 V CA 1.328 63.611 62.300 -0.028 0.000 0.575 287 V CB -1.700 30.108 31.823 -0.026 0.000 0.225 287 V HN 0.808 nan 8.190 nan 0.000 0.491 288 K N -0.003 120.380 120.400 -0.029 0.000 1.410 288 K HA -0.188 4.134 4.320 0.002 0.000 0.826 288 K C -0.040 176.545 176.600 -0.024 0.000 2.096 288 K CA 0.774 57.045 56.287 -0.026 0.000 1.397 288 K CB -0.845 31.639 32.500 -0.027 0.000 2.634 288 K HN 0.558 nan 8.250 nan 0.000 0.232 289 E N -1.766 118.421 120.200 -0.022 0.000 2.553 289 E HA 0.041 4.393 4.350 0.002 0.000 0.213 289 E C -0.009 176.581 176.600 -0.017 0.000 1.146 289 E CA 1.304 57.692 56.400 -0.020 0.000 1.600 289 E CB -1.832 27.855 29.700 -0.021 0.000 1.830 289 E HN 1.377 nan 8.360 nan 0.000 0.634 290 G N -0.312 108.478 108.800 -0.017 0.000 2.677 290 G HA2 0.550 4.511 3.960 0.002 0.000 0.291 290 G HA3 0.550 4.511 3.960 0.002 0.000 0.291 290 G C -0.717 174.176 174.900 -0.012 0.000 1.435 290 G CA -0.066 45.026 45.100 -0.013 0.000 0.826 290 G HN 0.477 nan 8.290 nan 0.000 0.491 291 I N -0.234 120.330 120.570 -0.009 0.000 5.026 291 I HA -0.227 3.945 4.170 0.002 0.000 0.126 291 I C 0.529 176.641 176.117 -0.007 0.000 1.267 291 I CA 1.597 62.893 61.300 -0.006 0.000 2.647 291 I CB -1.120 36.882 38.000 0.003 0.000 2.149 291 I HN 0.897 nan 8.210 nan 0.000 0.322 292 M N 1.167 120.759 119.600 -0.014 0.000 1.432 292 M HA 0.030 4.511 4.480 0.002 0.000 0.569 292 M C -0.948 175.338 176.300 -0.024 0.000 2.224 292 M CA 0.141 55.429 55.300 -0.019 0.000 0.521 292 M CB 0.307 32.894 32.600 -0.022 0.000 4.347 292 M HN 0.379 nan 8.290 nan 0.000 0.426 293 D N 2.898 123.282 120.400 -0.028 0.000 7.045 293 D HA -0.198 4.444 4.640 0.002 0.000 0.217 293 D C -0.290 175.996 176.300 -0.024 0.000 1.284 293 D CA 0.794 54.777 54.000 -0.028 0.000 1.175 293 D CB -0.615 40.169 40.800 -0.028 0.000 1.563 293 D HN 0.392 nan 8.370 nan 0.000 0.880 294 E N 0.256 120.441 120.200 -0.024 0.000 3.105 294 E HA 0.270 4.621 4.350 0.002 0.000 0.219 294 E C 1.068 177.655 176.600 -0.023 0.000 1.064 294 E CA -0.201 56.186 56.400 -0.021 0.000 1.342 294 E CB -0.182 29.506 29.700 -0.020 0.000 1.295 294 E HN 0.631 nan 8.360 nan 0.000 0.438 295 G N 2.067 110.851 108.800 -0.026 0.000 2.198 295 G HA2 -0.303 3.659 3.960 0.002 0.000 0.260 295 G HA3 -0.303 3.659 3.960 0.002 0.000 0.260 295 G C 0.143 175.024 174.900 -0.032 0.000 1.025 295 G CA 0.823 45.906 45.100 -0.028 0.000 0.769 295 G HN 0.417 nan 8.290 nan 0.000 0.507 296 E N 0.124 120.303 120.200 -0.036 0.000 2.231 296 E HA 0.553 4.904 4.350 0.002 0.000 0.277 296 E C 0.609 177.173 176.600 -0.060 0.000 0.999 296 E CA -0.269 56.108 56.400 -0.038 0.000 0.827 296 E CB 0.991 30.673 29.700 -0.030 0.000 1.101 296 E HN 0.144 nan 8.360 nan 0.000 0.393 297 S N 2.257 117.914 115.700 -0.072 0.000 2.589 297 S HA 0.034 4.505 4.470 0.002 0.000 0.265 297 S C 0.813 175.325 174.600 -0.146 0.000 1.342 297 S CA -0.346 57.772 58.200 -0.138 0.000 1.005 297 S CB 0.722 63.846 63.200 -0.126 0.000 0.909 297 S HN 0.554 nan 8.310 nan 0.000 0.555 298 L N 2.498 123.566 121.223 -0.257 0.000 2.357 298 L HA 0.319 4.660 4.340 0.002 0.000 0.211 298 L C 0.471 177.285 176.870 -0.094 0.000 1.075 298 L CA 1.042 55.779 54.840 -0.172 0.000 0.830 298 L CB -0.227 41.726 42.059 -0.177 0.000 0.996 298 L HN 0.843 nan 8.230 nan 0.000 0.467 299 Y N -0.388 119.925 120.300 0.022 0.000 2.867 299 Y HA 0.580 5.132 4.550 0.002 0.000 0.351 299 Y C 0.585 176.506 175.900 0.034 0.000 1.046 299 Y CA -1.433 56.684 58.100 0.028 0.000 1.520 299 Y CB -1.893 36.582 38.460 0.025 0.000 1.337 299 Y HN 0.100 nan 8.280 nan 0.000 0.525 300 S N 1.167 116.935 115.700 0.113 0.000 2.549 300 S HA 0.261 4.733 4.470 0.002 0.000 0.279 300 S C -2.430 172.237 174.600 0.111 0.000 1.321 300 S CA -1.437 56.825 58.200 0.103 0.000 1.054 300 S CB 0.835 64.064 63.200 0.049 0.000 0.899 300 S HN 0.308 nan 8.310 nan 0.000 0.497 301 P HA 0.298 nan 4.420 nan 0.000 0.259 301 P C 0.210 177.557 177.300 0.078 0.000 1.635 301 P CA 0.140 63.298 63.100 0.096 0.000 1.199 301 P CB 0.040 31.792 31.700 0.087 0.000 1.850 302 A N 3.606 126.473 122.820 0.077 0.000 3.421 302 A HA -0.057 4.264 4.320 0.002 0.000 0.192 302 A C 0.987 178.609 177.584 0.063 0.000 1.395 302 A CA -0.220 51.856 52.037 0.065 0.000 1.256 302 A CB -0.761 18.270 19.000 0.051 0.000 0.943 302 A HN 0.345 nan 8.150 nan 0.000 0.399 303 N N 0.624 119.362 118.700 0.064 0.000 2.295 303 N HA 0.171 4.913 4.740 0.002 0.000 0.221 303 N C 0.980 176.541 175.510 0.085 0.000 1.129 303 N CA 0.391 53.479 53.050 0.063 0.000 0.836 303 N CB 0.536 39.046 38.487 0.038 0.000 1.040 303 N HN 0.559 nan 8.380 nan 0.000 0.494 304 I N 0.706 121.333 120.570 0.096 0.000 2.208 304 I HA -0.214 3.958 4.170 0.002 0.000 0.245 304 I C 1.864 178.050 176.117 0.114 0.000 1.097 304 I CA 1.355 62.721 61.300 0.111 0.000 1.363 304 I CB 0.134 38.206 38.000 0.120 0.000 1.051 304 I HN 0.006 nan 8.210 nan 0.000 0.413 305 M N -0.552 119.119 119.600 0.117 0.000 2.099 305 M HA -0.156 4.325 4.480 0.002 0.000 0.262 305 M C 2.402 178.798 176.300 0.161 0.000 1.067 305 M CA 1.612 56.978 55.300 0.110 0.000 1.124 305 M CB -1.521 31.154 32.600 0.125 0.000 1.353 305 M HN 0.301 nan 8.290 nan 0.000 0.410 306 L N -0.165 121.184 121.223 0.210 0.000 1.997 306 L HA -0.298 4.043 4.340 0.002 0.000 0.216 306 L C 2.626 179.581 176.870 0.141 0.000 1.074 306 L CA 1.718 56.686 54.840 0.213 0.000 0.763 306 L CB -0.371 41.752 42.059 0.106 0.000 0.890 306 L HN 0.297 nan 8.230 nan 0.000 0.434 307 M N -1.103 118.551 119.600 0.091 0.000 2.279 307 M HA -0.249 4.232 4.480 0.002 0.000 0.264 307 M C 2.011 178.309 176.300 -0.003 0.000 1.062 307 M CA 1.954 57.288 55.300 0.057 0.000 1.099 307 M CB -0.609 32.044 32.600 0.089 0.000 1.394 307 M HN 0.344 nan 8.290 nan 0.000 0.426 308 H N -1.323 117.655 119.070 -0.153 0.000 2.395 308 H HA -0.111 4.446 4.556 0.003 0.000 0.299 308 H C 1.929 177.067 175.328 -0.317 0.000 1.070 308 H CA 2.083 57.931 56.048 -0.333 0.000 1.356 308 H CB -0.142 29.281 29.762 -0.565 0.000 1.401 308 H HN 0.478 nan 8.280 nan 0.000 0.524 309 H N -0.285 118.726 119.070 -0.099 0.000 2.319 309 H HA -0.163 4.394 4.556 0.002 0.000 0.297 309 H C 2.580 177.760 175.328 -0.247 0.000 1.097 309 H CA 2.082 57.995 56.048 -0.224 0.000 1.285 309 H CB -0.579 29.091 29.762 -0.153 0.000 1.368 309 H HN 0.488 nan 8.280 nan 0.000 0.495 310 V N 0.496 120.386 119.914 -0.041 0.000 2.323 310 V HA -0.170 3.952 4.120 0.002 0.000 0.244 310 V C 2.661 178.689 176.094 -0.110 0.000 1.041 310 V CA 2.588 64.854 62.300 -0.057 0.000 1.025 310 V CB -1.015 30.801 31.823 -0.012 0.000 0.656 310 V HN 0.571 nan 8.190 nan 0.000 0.451 311 T N -0.825 113.636 114.554 -0.156 0.000 2.778 311 T HA -0.144 4.207 4.350 0.002 0.000 0.269 311 T C 1.926 176.472 174.700 -0.256 0.000 1.050 311 T CA 2.254 64.239 62.100 -0.192 0.000 1.137 311 T CB -0.820 67.911 68.868 -0.227 0.000 0.860 311 T HN 0.975 nan 8.240 nan 0.000 0.468 312 A N 1.441 124.039 122.820 -0.370 0.000 1.903 312 A HA 0.614 4.936 4.320 0.002 0.000 0.213 312 A C 2.853 180.299 177.584 -0.230 0.000 1.185 312 A CA 1.275 53.099 52.037 -0.355 0.000 0.628 312 A CB -1.282 17.421 19.000 -0.495 0.000 0.830 312 A HN 0.740 nan 8.150 nan 0.000 0.446 313 A N 0.003 122.707 122.820 -0.193 0.000 1.908 313 A HA -0.067 4.254 4.320 0.002 0.000 0.218 313 A C 2.091 179.600 177.584 -0.125 0.000 1.181 313 A CA 1.700 53.656 52.037 -0.135 0.000 0.627 313 A CB -0.523 18.434 19.000 -0.072 0.000 0.818 313 A HN 0.471 nan 8.150 nan 0.000 0.445 314 L N -2.395 118.795 121.223 -0.054 0.000 2.298 314 L HA 0.114 4.456 4.340 0.002 0.000 0.209 314 L C 2.607 179.518 176.870 0.070 0.000 1.084 314 L CA 0.763 55.650 54.840 0.077 0.000 0.816 314 L CB -0.480 41.617 42.059 0.063 0.000 0.967 314 L HN 0.336 nan 8.230 nan 0.000 0.460 315 R N 1.361 121.832 120.500 -0.047 0.000 2.189 315 R HA 0.014 4.355 4.340 0.002 0.000 0.223 315 R C 1.040 177.281 176.300 -0.098 0.000 1.092 315 R CA 0.651 56.717 56.100 -0.056 0.000 0.989 315 R CB 0.012 30.253 30.300 -0.098 0.000 0.876 315 R HN 0.257 nan 8.270 nan 0.000 0.457 316 A N 1.065 123.756 122.820 -0.215 0.000 2.655 316 A HA 0.059 4.380 4.320 0.002 0.000 0.297 316 A C -0.424 176.731 177.584 -0.715 0.000 1.461 316 A CA 0.192 52.024 52.037 -0.341 0.000 1.146 316 A CB -0.221 18.580 19.000 -0.332 0.000 1.108 316 A HN 0.525 nan 8.150 nan 0.000 0.550 317 H N 0.656 119.716 119.070 -0.017 0.000 1.779 317 H HA 0.098 4.656 4.556 0.003 0.000 0.120 317 H C 1.261 176.582 175.328 -0.012 0.000 1.175 317 H CA 0.246 56.286 56.048 -0.013 0.000 0.715 317 H CB -0.819 28.934 29.762 -0.016 0.000 0.418 317 H HN 0.742 nan 8.280 nan 0.000 0.229 368 E N 1.614 121.805 120.200 -0.014 0.000 7.725 368 E HA -0.228 4.123 4.350 0.002 0.000 0.465 368 E C -1.122 175.486 176.600 0.015 0.000 0.555 368 E CA 0.935 57.344 56.400 0.015 0.000 0.980 368 E CB -1.243 28.486 29.700 0.048 0.000 0.969 368 E HN 0.454 nan 8.360 nan 0.000 0.357 369 N N 1.615 120.326 118.700 0.017 0.000 2.294 369 N HA 0.137 4.878 4.740 0.002 0.000 0.248 369 N C -0.099 175.419 175.510 0.013 0.000 1.300 369 N CA 0.465 53.523 53.050 0.015 0.000 0.925 369 N CB 0.390 38.884 38.487 0.013 0.000 1.188 369 N HN 0.636 nan 8.380 nan 0.000 0.512 370 Q N -1.378 118.426 119.800 0.007 0.000 2.462 370 Q HA 0.349 4.690 4.340 0.002 0.000 0.285 370 Q C -1.523 174.472 176.000 -0.009 0.000 1.035 370 Q CA -1.031 54.764 55.803 -0.015 0.000 0.799 370 Q CB 0.906 29.631 28.738 -0.022 0.000 1.452 370 Q HN 0.296 nan 8.270 nan 0.000 0.404 371 T N 2.240 116.774 114.554 -0.033 0.000 2.831 371 T HA 0.087 4.438 4.350 0.002 0.000 0.291 371 T C 0.988 175.692 174.700 0.007 0.000 0.981 371 T CA 0.215 62.306 62.100 -0.014 0.000 1.174 371 T CB 0.092 68.926 68.868 -0.057 0.000 0.929 371 T HN 0.490 nan 8.240 nan 0.000 0.532 372 L N 1.529 122.790 121.223 0.063 0.000 2.249 372 L HA 0.418 4.759 4.340 0.002 0.000 0.207 372 L C 1.213 178.201 176.870 0.196 0.000 1.090 372 L CA 0.171 55.079 54.840 0.114 0.000 0.802 372 L CB -0.155 41.972 42.059 0.114 0.000 0.947 372 L HN 0.733 nan 8.230 nan 0.000 0.453 373 A N -1.123 121.814 122.820 0.195 0.000 2.594 373 A HA 0.669 4.991 4.320 0.002 0.000 0.296 373 A C -1.059 176.653 177.584 0.212 0.000 1.061 373 A CA -0.313 51.908 52.037 0.307 0.000 0.689 373 A CB 1.843 21.032 19.000 0.315 0.000 1.280 373 A HN -0.135 nan 8.150 nan 0.000 0.406 374 S N 0.269 116.101 115.700 0.219 0.000 2.537 374 S HA 0.842 5.314 4.470 0.002 0.000 0.270 374 S C -1.540 173.122 174.600 0.103 0.000 1.142 374 S CA -0.324 57.943 58.200 0.111 0.000 0.870 374 S CB 1.152 64.376 63.200 0.040 0.000 1.112 374 S HN 1.451 nan 8.310 nan 0.000 0.466 375 I N 2.295 122.867 120.570 0.003 0.000 3.004 375 I HA 0.531 4.702 4.170 0.002 0.000 0.305 375 I C -0.405 175.622 176.117 -0.150 0.000 1.312 375 I CA -0.468 60.812 61.300 -0.033 0.000 0.992 375 I CB 2.444 40.456 38.000 0.021 0.000 1.282 375 I HN 0.798 nan 8.210 nan 0.000 0.449 376 T N 1.371 115.864 114.554 -0.101 0.000 2.922 376 T HA 0.352 4.704 4.350 0.002 0.000 0.285 376 T C 0.921 175.555 174.700 -0.110 0.000 1.005 376 T CA -0.301 61.733 62.100 -0.109 0.000 1.061 376 T CB 0.813 69.689 68.868 0.013 0.000 1.007 376 T HN 0.378 nan 8.240 nan 0.000 0.502 377 F N 0.496 120.528 119.950 0.136 0.000 2.120 377 F HA -0.133 4.395 4.527 0.002 0.000 0.300 377 F C 2.916 178.952 175.800 0.393 0.000 1.095 377 F CA 1.836 60.004 58.000 0.281 0.000 1.249 377 F CB -0.605 38.618 39.000 0.373 0.000 0.995 377 F HN 0.728 nan 8.300 nan 0.000 0.480 378 Q N 0.501 120.587 119.800 0.478 0.000 2.084 378 Q HA -0.222 4.120 4.340 0.002 0.000 0.202 378 Q C 1.729 177.891 176.000 0.270 0.000 0.978 378 Q CA 1.752 57.790 55.803 0.391 0.000 0.844 378 Q CB -0.215 28.585 28.738 0.104 0.000 0.898 378 Q HN 0.382 nan 8.270 nan 0.000 0.426 379 N N -0.385 118.402 118.700 0.144 0.000 2.376 379 N HA -0.103 4.638 4.740 0.002 0.000 0.177 379 N C 1.469 176.981 175.510 0.003 0.000 1.024 379 N CA 0.644 53.730 53.050 0.059 0.000 0.893 379 N CB -0.340 38.159 38.487 0.020 0.000 0.980 379 N HN 0.314 nan 8.380 nan 0.000 0.439 380 Y N 1.245 121.475 120.300 -0.117 0.000 2.070 380 Y HA -0.210 4.341 4.550 0.002 0.000 0.280 380 Y C 1.794 177.569 175.900 -0.209 0.000 1.148 380 Y CA 1.664 59.578 58.100 -0.310 0.000 1.125 380 Y CB -0.679 37.513 38.460 -0.447 0.000 0.975 380 Y HN -0.139 nan 8.280 nan 0.000 0.492 381 F N 0.298 120.347 119.950 0.165 0.000 2.269 381 F HA -0.137 4.391 4.527 0.002 0.000 0.301 381 F C 2.347 178.245 175.800 0.165 0.000 1.082 381 F CA 1.451 59.544 58.000 0.154 0.000 1.360 381 F CB -0.576 38.527 39.000 0.171 0.000 1.041 381 F HN 0.006 nan 8.300 nan 0.000 0.512 382 R N -0.080 120.562 120.500 0.237 0.000 2.280 382 R HA -0.032 4.310 4.340 0.002 0.000 0.207 382 R C 1.959 178.281 176.300 0.036 0.000 1.043 382 R CA 0.558 56.750 56.100 0.153 0.000 1.006 382 R CB -0.383 29.987 30.300 0.117 0.000 0.885 382 R HN 0.363 nan 8.270 nan 0.000 0.467 383 L N -0.428 120.731 121.223 -0.105 0.000 2.217 383 L HA -0.067 4.274 4.340 0.002 0.000 0.211 383 L C 0.480 177.222 176.870 -0.213 0.000 1.107 383 L CA 0.516 55.220 54.840 -0.228 0.000 0.783 383 L CB -0.224 41.529 42.059 -0.511 0.000 0.919 383 L HN 0.080 nan 8.230 nan 0.000 0.442 384 Y N 0.487 120.679 120.300 -0.180 0.000 2.497 384 Y HA -0.135 4.417 4.550 0.003 0.000 0.334 384 Y C 1.674 177.546 175.900 -0.048 0.000 1.199 384 Y CA 0.327 58.359 58.100 -0.113 0.000 1.425 384 Y CB 0.496 38.895 38.460 -0.102 0.000 1.291 384 Y HN 0.014 nan 8.280 nan 0.000 0.562 385 E N 2.273 122.543 120.200 0.116 0.000 2.047 385 E HA -0.114 4.237 4.350 0.002 0.000 0.191 385 E C -0.302 176.347 176.600 0.082 0.000 0.987 385 E CA 1.012 57.461 56.400 0.082 0.000 0.799 385 E CB 0.241 29.998 29.700 0.095 0.000 0.752 385 E HN 0.527 nan 8.360 nan 0.000 0.449 386 K N 0.656 121.109 120.400 0.088 0.000 2.292 386 K HA 0.374 4.695 4.320 0.002 0.000 0.257 386 K C -1.308 175.365 176.600 0.121 0.000 0.940 386 K CA -0.790 55.561 56.287 0.107 0.000 0.811 386 K CB 2.190 34.732 32.500 0.069 0.000 1.120 386 K HN -0.029 nan 8.250 nan 0.000 0.428 387 L N 2.072 123.324 121.223 0.049 0.000 2.365 387 L HA 0.772 5.113 4.340 0.002 0.000 0.273 387 L C -1.396 175.418 176.870 -0.094 0.000 1.000 387 L CA -0.193 54.583 54.840 -0.106 0.000 0.819 387 L CB 1.784 43.793 42.059 -0.084 0.000 1.284 387 L HN 0.862 nan 8.230 nan 0.000 0.418 388 A N 2.364 125.042 122.820 -0.238 0.000 2.602 388 A HA 1.003 5.325 4.320 0.002 0.000 0.290 388 A C -0.760 176.640 177.584 -0.306 0.000 1.114 388 A CA -0.042 51.881 52.037 -0.190 0.000 0.683 388 A CB 1.518 20.526 19.000 0.014 0.000 1.281 388 A HN 1.221 nan 8.150 nan 0.000 0.416 389 G N -0.673 107.966 108.800 -0.269 0.000 2.576 389 G HA2 0.595 4.557 3.960 0.002 0.000 0.290 389 G HA3 0.595 4.557 3.960 0.002 0.000 0.290 389 G C -1.304 173.454 174.900 -0.235 0.000 1.442 389 G CA -0.666 44.261 45.100 -0.289 0.000 0.792 389 G HN 0.702 nan 8.290 nan 0.000 0.491 390 M N 0.325 119.808 119.600 -0.194 0.000 2.602 390 M HA 0.766 5.248 4.480 0.002 0.000 0.312 390 M C -0.275 175.943 176.300 -0.136 0.000 1.181 390 M CA -0.786 54.430 55.300 -0.140 0.000 0.910 390 M CB 2.673 35.224 32.600 -0.081 0.000 1.723 390 M HN 0.622 nan 8.290 nan 0.000 0.459 391 T N -0.007 114.486 114.554 -0.102 0.000 2.802 391 T HA 0.634 4.986 4.350 0.002 0.000 0.311 391 T C -0.724 173.959 174.700 -0.028 0.000 1.405 391 T CA -0.466 61.599 62.100 -0.058 0.000 1.016 391 T CB 1.749 70.591 68.868 -0.043 0.000 1.352 391 T HN 0.878 nan 8.240 nan 0.000 0.498 392 G N 0.516 109.312 108.800 -0.007 0.000 2.562 392 G HA2 0.431 4.393 3.960 0.002 0.000 0.275 392 G HA3 0.431 4.393 3.960 0.002 0.000 0.275 392 G C 0.979 175.888 174.900 0.016 0.000 1.196 392 G CA -0.116 44.988 45.100 0.006 0.000 0.908 392 G HN 0.801 nan 8.290 nan 0.000 0.524 393 T N 0.660 115.226 114.554 0.021 0.000 3.219 393 T HA 0.042 4.393 4.350 0.002 0.000 0.264 393 T C 1.884 176.604 174.700 0.033 0.000 1.178 393 T CA 0.674 62.790 62.100 0.026 0.000 1.057 393 T CB -0.385 68.499 68.868 0.027 0.000 0.919 393 T HN 0.936 nan 8.240 nan 0.000 0.545 394 A N 2.832 125.672 122.820 0.033 0.000 3.558 394 A HA -0.086 4.235 4.320 0.002 0.000 0.265 394 A C 1.097 178.721 177.584 0.066 0.000 2.250 394 A CA 0.624 52.685 52.037 0.040 0.000 1.646 394 A CB -1.263 17.756 19.000 0.032 0.000 0.629 394 A HN 0.781 nan 8.150 nan 0.000 0.574 395 D N -0.782 119.661 120.400 0.071 0.000 2.124 395 D HA 0.261 4.902 4.640 0.002 0.000 0.286 395 D C 1.301 177.657 176.300 0.093 0.000 1.130 395 D CA 1.482 55.544 54.000 0.104 0.000 1.031 395 D CB -0.632 40.223 40.800 0.092 0.000 1.148 395 D HN 0.982 nan 8.370 nan 0.000 0.489 396 T N -4.282 110.330 114.554 0.097 0.000 9.266 396 T HA -0.336 4.016 4.350 0.002 0.000 0.342 396 T C 0.648 175.466 174.700 0.195 0.000 1.919 396 T CA 1.641 63.806 62.100 0.109 0.000 2.973 396 T CB -2.427 66.481 68.868 0.066 0.000 2.373 396 T HN 0.598 nan 8.240 nan 0.000 1.071 397 E N 0.515 120.797 120.200 0.137 0.000 2.558 397 E HA 0.669 5.021 4.350 0.002 0.000 0.205 397 E C 2.164 178.732 176.600 -0.053 0.000 1.006 397 E CA 0.293 56.665 56.400 -0.047 0.000 0.961 397 E CB 0.284 29.839 29.700 -0.242 0.000 1.044 397 E HN 0.719 nan 8.360 nan 0.000 0.465 398 A N 1.186 124.137 122.820 0.218 0.000 1.940 398 A HA -0.220 4.102 4.320 0.002 0.000 0.219 398 A C 1.927 179.608 177.584 0.163 0.000 1.176 398 A CA 1.423 53.620 52.037 0.267 0.000 0.631 398 A CB -0.763 18.365 19.000 0.213 0.000 0.814 398 A HN 0.479 nan 8.150 nan 0.000 0.446 399 F N 0.296 120.218 119.950 -0.048 0.000 2.325 399 F HA 0.072 4.601 4.527 0.003 0.000 0.299 399 F C 1.668 177.340 175.800 -0.214 0.000 1.090 399 F CA 1.189 59.140 58.000 -0.082 0.000 1.392 399 F CB -0.684 38.270 39.000 -0.077 0.000 1.053 399 F HN 0.298 nan 8.300 nan 0.000 0.521 400 E N 0.106 119.495 120.200 -1.351 0.000 2.076 400 E HA -0.079 4.272 4.350 0.002 0.000 0.190 400 E C 1.942 178.186 176.600 -0.594 0.000 0.979 400 E CA 1.036 56.608 56.400 -1.380 0.000 0.807 400 E CB -0.410 28.271 29.700 -1.699 0.000 0.761 400 E HN 0.375 nan 8.360 nan 0.000 0.454 401 F N 1.215 121.014 119.950 -0.252 0.000 2.095 401 F HA -0.239 4.290 4.527 0.002 0.000 0.298 401 F C 2.801 178.628 175.800 0.044 0.000 1.104 401 F CA 1.325 59.320 58.000 -0.009 0.000 1.232 401 F CB -0.853 38.126 39.000 -0.035 0.000 0.987 401 F HN -0.039 nan 8.300 nan 0.000 0.475 402 S N -1.055 114.763 115.700 0.197 0.000 2.368 402 S HA -0.209 4.263 4.470 0.002 0.000 0.225 402 S C 2.453 177.118 174.600 0.107 0.000 1.030 402 S CA 1.498 59.785 58.200 0.145 0.000 0.999 402 S CB -0.673 62.600 63.200 0.121 0.000 0.844 402 S HN 0.366 nan 8.310 nan 0.000 0.459 403 S N 0.503 116.237 115.700 0.056 0.000 2.356 403 S HA 0.015 4.486 4.470 0.002 0.000 0.223 403 S C 1.765 176.412 174.600 0.079 0.000 1.032 403 S CA 1.457 59.716 58.200 0.098 0.000 1.005 403 S CB -0.442 62.875 63.200 0.194 0.000 0.867 403 S HN 0.610 nan 8.310 nan 0.000 0.449 404 I N -1.237 119.347 120.570 0.024 0.000 2.716 404 I HA 0.024 4.195 4.170 0.002 0.000 0.259 404 I C 1.029 177.014 176.117 -0.220 0.000 1.172 404 I CA 0.923 62.149 61.300 -0.124 0.000 1.478 404 I CB 0.039 37.872 38.000 -0.279 0.000 1.104 404 I HN 0.347 nan 8.210 nan 0.000 0.439 405 Y N -0.550 119.810 120.300 0.100 0.000 2.540 405 Y HA 0.226 4.777 4.550 0.002 0.000 0.257 405 Y C 0.370 176.320 175.900 0.082 0.000 1.090 405 Y CA -0.856 57.306 58.100 0.104 0.000 1.242 405 Y CB 0.610 39.152 38.460 0.136 0.000 1.325 405 Y HN -0.173 nan 8.280 nan 0.000 0.544 406 K N 0.880 121.402 120.400 0.204 0.000 3.077 406 K HA -0.190 4.132 4.320 0.002 0.000 0.264 406 K C -0.827 175.852 176.600 0.132 0.000 1.008 406 K CA 0.570 56.943 56.287 0.143 0.000 0.740 406 K CB -1.942 30.619 32.500 0.102 0.000 1.273 406 K HN 0.399 nan 8.250 nan 0.000 0.477 407 L N 1.357 122.675 121.223 0.159 0.000 2.264 407 L HA 0.193 4.534 4.340 0.002 0.000 0.289 407 L C 0.739 177.642 176.870 0.055 0.000 1.044 407 L CA -0.654 54.223 54.840 0.061 0.000 0.807 407 L CB 0.844 42.892 42.059 -0.017 0.000 1.192 407 L HN -0.013 nan 8.230 nan 0.000 0.425 408 D N 0.982 121.394 120.400 0.021 0.000 2.358 408 D HA 0.265 4.906 4.640 0.002 0.000 0.244 408 D C 0.232 176.515 176.300 -0.028 0.000 1.163 408 D CA 0.153 54.165 54.000 0.019 0.000 0.945 408 D CB 1.284 42.095 40.800 0.019 0.000 1.152 408 D HN 0.416 nan 8.370 nan 0.000 0.451 409 T N -1.133 113.415 114.554 -0.009 0.000 2.840 409 T HA 0.544 4.896 4.350 0.002 0.000 0.287 409 T C -1.041 173.651 174.700 -0.013 0.000 0.991 409 T CA -0.730 61.347 62.100 -0.038 0.000 0.964 409 T CB 0.524 69.369 68.868 -0.037 0.000 0.954 409 T HN 0.017 nan 8.240 nan 0.000 0.438 410 V N 5.163 125.062 119.914 -0.025 0.000 2.459 410 V HA 0.492 4.614 4.120 0.002 0.000 0.295 410 V C 0.078 176.170 176.094 -0.003 0.000 1.029 410 V CA -0.846 61.451 62.300 -0.004 0.000 0.874 410 V CB 1.885 33.708 31.823 0.000 0.000 0.985 410 V HN 0.856 nan 8.190 nan 0.000 0.438 411 V N 5.735 125.655 119.914 0.010 0.000 2.385 411 V HA 0.257 4.378 4.120 0.002 0.000 0.269 411 V C 0.150 176.255 176.094 0.018 0.000 1.043 411 V CA -0.402 61.906 62.300 0.014 0.000 0.906 411 V CB 1.358 33.193 31.823 0.020 0.000 0.995 411 V HN 0.614 nan 8.190 nan 0.000 0.467 412 V N 8.768 128.694 119.914 0.019 0.000 2.461 412 V HA 0.294 4.415 4.120 0.002 0.000 0.275 412 V C -1.562 174.550 176.094 0.030 0.000 1.047 412 V CA -1.327 60.990 62.300 0.029 0.000 0.955 412 V CB 1.297 33.141 31.823 0.034 0.000 0.988 412 V HN 0.763 nan 8.190 nan 0.000 0.471 413 P HA 0.209 nan 4.420 nan 0.000 0.273 413 P C -0.128 177.189 177.300 0.028 0.000 1.250 413 P CA -0.256 62.860 63.100 0.027 0.000 0.793 413 P CB 0.181 31.896 31.700 0.025 0.000 1.011 414 T N -2.324 112.240 114.554 0.018 0.000 2.904 414 T HA 0.114 4.466 4.350 0.002 0.000 0.290 414 T C 1.154 175.847 174.700 -0.012 0.000 1.018 414 T CA -0.437 61.669 62.100 0.009 0.000 1.075 414 T CB 0.393 69.264 68.868 0.006 0.000 0.986 414 T HN 0.360 nan 8.240 nan 0.000 0.523 415 N N 1.527 120.203 118.700 -0.040 0.000 2.120 415 N HA -0.130 4.612 4.740 0.002 0.000 0.188 415 N C 0.332 175.771 175.510 -0.119 0.000 1.024 415 N CA 1.111 54.087 53.050 -0.123 0.000 0.852 415 N CB 0.034 38.326 38.487 -0.325 0.000 1.003 415 N HN 0.512 nan 8.380 nan 0.000 0.424 416 R N 0.027 120.471 120.500 -0.093 0.000 2.732 416 R HA 0.409 4.751 4.340 0.002 0.000 0.278 416 R C -2.528 173.756 176.300 -0.026 0.000 0.976 416 R CA -2.101 53.963 56.100 -0.061 0.000 0.963 416 R CB 0.437 30.704 30.300 -0.054 0.000 1.150 416 R HN 0.087 nan 8.270 nan 0.000 0.478 417 P HA -0.028 nan 4.420 nan 0.000 0.262 417 P C -0.237 177.065 177.300 0.002 0.000 1.182 417 P CA 0.318 63.416 63.100 -0.004 0.000 0.761 417 P CB 0.423 32.122 31.700 -0.002 0.000 0.795 418 M N 5.811 125.415 119.600 0.008 0.000 2.094 418 M HA 0.189 4.670 4.480 0.002 0.000 0.348 418 M C 0.427 176.736 176.300 0.015 0.000 1.267 418 M CA -0.479 54.829 55.300 0.013 0.000 1.125 418 M CB -0.246 32.364 32.600 0.017 0.000 1.527 418 M HN 0.321 nan 8.290 nan 0.000 0.447 419 I N 1.167 121.746 120.570 0.015 0.000 3.976 419 I HA 0.321 4.493 4.170 0.002 0.000 0.337 419 I C 0.764 176.893 176.117 0.019 0.000 1.359 419 I CA -0.498 60.810 61.300 0.014 0.000 1.098 419 I CB -0.182 37.823 38.000 0.008 0.000 1.027 419 I HN 0.548 nan 8.210 nan 0.000 0.394 420 R N 3.455 123.969 120.500 0.025 0.000 2.504 420 R HA 0.045 4.387 4.340 0.002 0.000 0.291 420 R C -0.434 175.888 176.300 0.036 0.000 0.974 420 R CA 0.370 56.489 56.100 0.032 0.000 1.077 420 R CB 0.495 30.816 30.300 0.036 0.000 0.926 420 R HN 0.312 nan 8.270 nan 0.000 0.407 421 K N 3.857 124.282 120.400 0.042 0.000 2.263 421 K HA 0.096 4.418 4.320 0.002 0.000 0.282 421 K C -1.065 175.571 176.600 0.060 0.000 1.089 421 K CA -0.397 55.916 56.287 0.044 0.000 0.907 421 K CB 0.878 33.400 32.500 0.037 0.000 1.148 421 K HN 0.453 nan 8.250 nan 0.000 0.470 422 D N 4.241 124.675 120.400 0.057 0.000 2.396 422 D HA 0.185 4.827 4.640 0.002 0.000 0.225 422 D C 0.070 176.408 176.300 0.063 0.000 1.121 422 D CA -0.165 53.878 54.000 0.072 0.000 0.853 422 D CB 0.886 41.732 40.800 0.076 0.000 1.043 422 D HN 0.228 nan 8.370 nan 0.000 0.500 423 L N 2.827 124.091 121.223 0.068 0.000 2.416 423 L HA 0.394 4.735 4.340 0.002 0.000 0.262 423 L C -1.970 174.911 176.870 0.020 0.000 1.093 423 L CA -1.991 52.873 54.840 0.039 0.000 0.801 423 L CB 0.580 42.668 42.059 0.048 0.000 1.191 423 L HN 0.037 nan 8.230 nan 0.000 0.459 424 P HA -0.018 nan 4.420 nan 0.000 0.262 424 P C -1.235 176.025 177.300 -0.066 0.000 1.182 424 P CA -0.122 62.952 63.100 -0.042 0.000 0.761 424 P CB 0.222 31.883 31.700 -0.064 0.000 0.795 425 D N 2.387 122.754 120.400 -0.056 0.000 2.525 425 D HA 0.030 4.672 4.640 0.002 0.000 0.235 425 D C 0.128 176.346 176.300 -0.137 0.000 1.137 425 D CA 0.782 54.739 54.000 -0.071 0.000 0.868 425 D CB 0.149 40.918 40.800 -0.053 0.000 1.180 425 D HN 0.197 nan 8.370 nan 0.000 0.465 426 L N 1.602 122.718 121.223 -0.179 0.000 2.334 426 L HA 0.606 4.947 4.340 0.002 0.000 0.273 426 L C -0.421 176.382 176.870 -0.112 0.000 1.013 426 L CA -1.025 53.700 54.840 -0.192 0.000 0.816 426 L CB 1.819 43.774 42.059 -0.173 0.000 1.278 426 L HN 0.012 nan 8.230 nan 0.000 0.431 427 V N 2.032 121.778 119.914 -0.278 0.000 2.577 427 V HA 0.476 4.598 4.120 0.002 0.000 0.303 427 V C -1.155 174.729 176.094 -0.350 0.000 1.042 427 V CA -0.677 61.529 62.300 -0.156 0.000 0.872 427 V CB 1.703 33.442 31.823 -0.140 0.000 0.998 427 V HN 0.456 nan 8.190 nan 0.000 0.423 428 Y N 2.300 122.636 120.300 0.059 0.000 2.562 428 Y HA 0.461 5.012 4.550 0.002 0.000 0.343 428 Y C 0.990 176.918 175.900 0.046 0.000 1.025 428 Y CA -0.932 57.204 58.100 0.060 0.000 1.082 428 Y CB 1.923 40.432 38.460 0.081 0.000 1.264 428 Y HN 0.594 nan 8.280 nan 0.000 0.478 429 M N 0.857 120.569 119.600 0.186 0.000 2.065 429 M HA -0.076 4.405 4.480 0.002 0.000 0.259 429 M C 0.564 176.930 176.300 0.110 0.000 1.071 429 M CA 1.955 57.323 55.300 0.113 0.000 1.109 429 M CB -0.342 32.317 32.600 0.098 0.000 1.313 429 M HN 0.732 nan 8.290 nan 0.000 0.408 430 T N -3.058 111.570 114.554 0.122 0.000 2.887 430 T HA 0.323 4.674 4.350 0.002 0.000 0.288 430 T C 0.785 175.528 174.700 0.072 0.000 1.021 430 T CA -0.877 61.271 62.100 0.080 0.000 1.000 430 T CB 1.595 70.496 68.868 0.055 0.000 1.034 430 T HN 0.212 nan 8.240 nan 0.000 0.467 431 E N 1.293 121.522 120.200 0.047 0.000 2.164 431 E HA -0.281 4.071 4.350 0.002 0.000 0.206 431 E C 2.135 178.722 176.600 -0.021 0.000 1.032 431 E CA 2.026 58.436 56.400 0.018 0.000 0.832 431 E CB -0.505 29.200 29.700 0.009 0.000 0.742 431 E HN 0.866 nan 8.360 nan 0.000 0.460 432 A N 0.501 123.311 122.820 -0.016 0.000 1.970 432 A HA -0.114 4.207 4.320 0.002 0.000 0.216 432 A C 1.966 179.510 177.584 -0.066 0.000 1.170 432 A CA 1.007 53.021 52.037 -0.038 0.000 0.645 432 A CB -0.186 18.804 19.000 -0.018 0.000 0.816 432 A HN 0.193 nan 8.150 nan 0.000 0.447 433 E N -0.170 120.005 120.200 -0.041 0.000 2.107 433 E HA -0.174 4.178 4.350 0.002 0.000 0.191 433 E C 2.014 178.425 176.600 -0.315 0.000 0.982 433 E CA 1.205 57.564 56.400 -0.069 0.000 0.809 433 E CB -0.104 29.651 29.700 0.091 0.000 0.756 433 E HN 0.682 nan 8.360 nan 0.000 0.459 434 K N 1.062 121.279 120.400 -0.304 0.000 1.991 434 K HA -0.190 4.132 4.320 0.002 0.000 0.212 434 K C 2.097 178.423 176.600 -0.457 0.000 1.049 434 K CA 1.326 57.306 56.287 -0.511 0.000 0.932 434 K CB -0.073 32.367 32.500 -0.100 0.000 0.717 434 K HN -0.031 nan 8.250 nan 0.000 0.441 435 I N 1.736 122.141 120.570 -0.275 0.000 2.151 435 I HA -0.273 3.898 4.170 0.002 0.000 0.243 435 I C 2.548 178.514 176.117 -0.251 0.000 1.080 435 I CA 1.520 62.673 61.300 -0.246 0.000 1.339 435 I CB -1.387 36.522 38.000 -0.152 0.000 1.039 435 I HN 0.414 nan 8.210 nan 0.000 0.409 436 Q N 0.690 120.361 119.800 -0.214 0.000 2.181 436 Q HA -0.104 4.237 4.340 0.002 0.000 0.205 436 Q C 2.218 178.096 176.000 -0.202 0.000 0.980 436 Q CA 2.074 57.775 55.803 -0.170 0.000 0.862 436 Q CB -0.348 28.319 28.738 -0.118 0.000 0.905 436 Q HN 0.521 nan 8.270 nan 0.000 0.429 437 A N -0.326 122.302 122.820 -0.320 0.000 1.897 437 A HA -0.083 4.239 4.320 0.002 0.000 0.215 437 A C 2.097 179.531 177.584 -0.250 0.000 1.181 437 A CA 1.078 52.963 52.037 -0.253 0.000 0.620 437 A CB -0.612 18.125 19.000 -0.438 0.000 0.821 437 A HN 0.413 nan 8.150 nan 0.000 0.443 438 I N -0.553 119.709 120.570 -0.514 0.000 2.145 438 I HA -0.311 3.861 4.170 0.002 0.000 0.244 438 I C 2.248 178.209 176.117 -0.260 0.000 1.075 438 I CA 1.370 62.331 61.300 -0.566 0.000 1.332 438 I CB -0.327 37.300 38.000 -0.622 0.000 1.033 438 I HN 0.247 nan 8.210 nan 0.000 0.410 439 I N 0.477 120.923 120.570 -0.207 0.000 2.179 439 I HA -0.268 3.904 4.170 0.002 0.000 0.242 439 I C 2.476 178.540 176.117 -0.088 0.000 1.088 439 I CA 1.547 62.767 61.300 -0.133 0.000 1.357 439 I CB -0.597 37.334 38.000 -0.115 0.000 1.051 439 I HN 0.155 nan 8.210 nan 0.000 0.409 440 E N 0.222 120.375 120.200 -0.078 0.000 2.150 440 E HA -0.231 4.121 4.350 0.002 0.000 0.193 440 E C 1.818 178.404 176.600 -0.024 0.000 0.985 440 E CA 1.149 57.525 56.400 -0.039 0.000 0.814 440 E CB -0.302 29.384 29.700 -0.022 0.000 0.752 440 E HN 0.446 nan 8.360 nan 0.000 0.466 441 D N -0.355 120.033 120.400 -0.020 0.000 2.084 441 D HA -0.098 4.543 4.640 0.002 0.000 0.196 441 D C 1.981 178.274 176.300 -0.012 0.000 0.985 441 D CA 1.175 55.178 54.000 0.006 0.000 0.826 441 D CB -0.163 40.687 40.800 0.083 0.000 0.978 441 D HN 0.211 nan 8.370 nan 0.000 0.456 442 I N 0.220 120.781 120.570 -0.015 0.000 2.163 442 I HA -0.274 3.897 4.170 0.002 0.000 0.243 442 I C 2.528 178.638 176.117 -0.011 0.000 1.085 442 I CA 1.174 62.471 61.300 -0.005 0.000 1.347 442 I CB -0.376 37.604 38.000 -0.032 0.000 1.044 442 I HN 0.082 nan 8.210 nan 0.000 0.408 443 K N 1.243 121.630 120.400 -0.022 0.000 2.063 443 K HA -0.223 4.098 4.320 0.002 0.000 0.208 443 K C 1.914 178.505 176.600 -0.015 0.000 1.048 443 K CA 1.791 58.068 56.287 -0.016 0.000 0.928 443 K CB 0.030 32.518 32.500 -0.020 0.000 0.713 443 K HN 0.377 nan 8.250 nan 0.000 0.442 444 E N -0.280 119.907 120.200 -0.021 0.000 2.112 444 E HA -0.098 4.253 4.350 0.002 0.000 0.190 444 E C 2.181 178.762 176.600 -0.032 0.000 0.979 444 E CA 0.702 57.087 56.400 -0.024 0.000 0.814 444 E CB 0.068 29.752 29.700 -0.026 0.000 0.762 444 E HN 0.244 nan 8.360 nan 0.000 0.460 445 R N 0.498 120.973 120.500 -0.042 0.000 2.066 445 R HA -0.087 4.254 4.340 0.002 0.000 0.232 445 R C 2.663 178.952 176.300 -0.019 0.000 1.131 445 R CA 1.862 57.934 56.100 -0.048 0.000 0.955 445 R CB -0.573 29.684 30.300 -0.071 0.000 0.851 445 R HN 0.287 nan 8.270 nan 0.000 0.432 446 T N -1.240 113.312 114.554 -0.002 0.000 2.915 446 T HA 0.008 4.359 4.350 0.002 0.000 0.269 446 T C 2.024 176.727 174.700 0.006 0.000 1.071 446 T CA 0.968 63.075 62.100 0.012 0.000 1.132 446 T CB -0.093 68.790 68.868 0.025 0.000 0.878 446 T HN 0.225 nan 8.240 nan 0.000 0.479 447 A N 2.209 125.027 122.820 -0.003 0.000 2.067 447 A HA 0.038 4.360 4.320 0.002 0.000 0.219 447 A C 2.120 179.697 177.584 -0.011 0.000 1.158 447 A CA 0.824 52.858 52.037 -0.005 0.000 0.661 447 A CB -0.368 18.627 19.000 -0.008 0.000 0.801 447 A HN 0.607 nan 8.150 nan 0.000 0.452 448 K N -1.129 119.260 120.400 -0.018 0.000 2.410 448 K HA 0.306 4.627 4.320 0.002 0.000 0.200 448 K C 0.886 177.468 176.600 -0.029 0.000 1.023 448 K CA 0.400 56.672 56.287 -0.026 0.000 1.149 448 K CB 0.124 32.604 32.500 -0.034 0.000 0.859 448 K HN 0.566 nan 8.250 nan 0.000 0.514 449 G N 2.217 111.006 108.800 -0.018 0.000 2.157 449 G HA2 -0.336 3.626 3.960 0.002 0.000 0.248 449 G HA3 -0.336 3.626 3.960 0.002 0.000 0.248 449 G C -0.041 174.846 174.900 -0.023 0.000 0.979 449 G CA 0.182 45.270 45.100 -0.020 0.000 0.650 449 G HN 0.470 nan 8.290 nan 0.000 0.529 450 Q N 1.393 121.183 119.800 -0.017 0.000 2.267 450 Q HA 0.531 4.873 4.340 0.002 0.000 0.255 450 Q C -2.227 173.786 176.000 0.022 0.000 0.923 450 Q CA -2.008 53.788 55.803 -0.011 0.000 0.925 450 Q CB 1.606 30.334 28.738 -0.017 0.000 1.195 450 Q HN 0.277 nan 8.270 nan 0.000 0.417 451 P HA 0.089 nan 4.420 nan 0.000 0.278 451 P C -1.147 176.200 177.300 0.079 0.000 1.238 451 P CA -0.221 62.916 63.100 0.063 0.000 0.794 451 P CB 1.173 32.913 31.700 0.066 0.000 0.955 452 V N 3.982 123.943 119.914 0.079 0.000 2.588 452 V HA 0.345 4.466 4.120 0.002 0.000 0.304 452 V C -0.021 176.098 176.094 0.041 0.000 1.042 452 V CA -0.754 61.593 62.300 0.080 0.000 0.877 452 V CB 1.723 33.601 31.823 0.092 0.000 0.996 452 V HN 0.421 nan 8.190 nan 0.000 0.425 453 L N 6.274 127.499 121.223 0.004 0.000 2.313 453 L HA 0.766 5.108 4.340 0.002 0.000 0.283 453 L C -0.706 176.128 176.870 -0.059 0.000 1.013 453 L CA -0.018 54.814 54.840 -0.014 0.000 0.816 453 L CB 1.829 43.883 42.059 -0.010 0.000 1.236 453 L HN 0.442 nan 8.230 nan 0.000 0.419 454 V N 4.954 124.843 119.914 -0.042 0.000 2.350 454 V HA 0.671 4.792 4.120 0.002 0.000 0.285 454 V C 0.573 176.646 176.094 -0.036 0.000 1.014 454 V CA -0.337 61.927 62.300 -0.061 0.000 0.831 454 V CB 1.094 32.877 31.823 -0.067 0.000 1.000 454 V HN 0.920 nan 8.190 nan 0.000 0.433 455 G N 2.918 111.695 108.800 -0.038 0.000 2.335 455 G HA2 0.636 4.597 3.960 0.002 0.000 0.316 455 G HA3 0.636 4.597 3.960 0.002 0.000 0.316 455 G C -0.049 174.879 174.900 0.047 0.000 1.129 455 G CA -0.167 44.943 45.100 0.017 0.000 0.899 455 G HN 0.736 nan 8.290 nan 0.000 0.448 456 T N 0.071 114.661 114.554 0.061 0.000 2.926 456 T HA 0.502 4.854 4.350 0.002 0.000 0.289 456 T C 1.390 176.137 174.700 0.079 0.000 1.054 456 T CA -0.720 61.412 62.100 0.053 0.000 1.015 456 T CB 1.659 70.539 68.868 0.020 0.000 1.167 456 T HN 0.665 nan 8.240 nan 0.000 0.526 457 I N -0.836 119.745 120.570 0.019 0.000 3.603 457 I HA 0.296 4.468 4.170 0.002 0.000 0.297 457 I C 0.472 176.597 176.117 0.013 0.000 1.269 457 I CA -0.252 61.031 61.300 -0.028 0.000 1.361 457 I CB -0.192 37.686 38.000 -0.203 0.000 1.063 457 I HN 0.702 nan 8.210 nan 0.000 0.448 458 S N -0.391 115.319 115.700 0.017 0.000 2.625 458 S HA 0.493 4.964 4.470 0.002 0.000 0.271 458 S C 0.394 175.009 174.600 0.024 0.000 1.161 458 S CA -0.782 57.432 58.200 0.023 0.000 0.820 458 S CB 1.544 64.750 63.200 0.011 0.000 1.137 458 S HN 0.113 nan 8.310 nan 0.000 0.470 459 I N 1.125 121.711 120.570 0.026 0.000 2.264 459 I HA -0.169 4.002 4.170 0.002 0.000 0.248 459 I C 2.370 178.499 176.117 0.019 0.000 1.111 459 I CA 1.547 62.862 61.300 0.026 0.000 1.382 459 I CB -0.400 37.615 38.000 0.026 0.000 1.060 459 I HN 0.707 nan 8.210 nan 0.000 0.418 460 E N 0.810 121.018 120.200 0.013 0.000 2.031 460 E HA -0.227 4.124 4.350 0.002 0.000 0.193 460 E C 2.101 178.702 176.600 0.002 0.000 0.994 460 E CA 1.138 57.542 56.400 0.008 0.000 0.800 460 E CB -0.161 29.542 29.700 0.005 0.000 0.752 460 E HN 0.102 nan 8.360 nan 0.000 0.447 461 K N 0.351 120.751 120.400 -0.001 0.000 2.103 461 K HA -0.026 4.296 4.320 0.002 0.000 0.207 461 K C 2.230 178.821 176.600 -0.014 0.000 1.048 461 K CA 1.184 57.465 56.287 -0.009 0.000 0.930 461 K CB -0.636 31.860 32.500 -0.008 0.000 0.716 461 K HN -0.012 nan 8.250 nan 0.000 0.444 462 S N 0.788 116.487 115.700 -0.001 0.000 2.368 462 S HA -0.142 4.329 4.470 0.002 0.000 0.225 462 S C 1.695 176.295 174.600 -0.000 0.000 1.030 462 S CA 1.323 59.523 58.200 0.001 0.000 0.999 462 S CB -0.193 63.020 63.200 0.023 0.000 0.844 462 S HN 0.396 nan 8.310 nan 0.000 0.459 463 E N 0.515 120.721 120.200 0.009 0.000 2.106 463 E HA -0.124 4.227 4.350 0.002 0.000 0.192 463 E C 2.092 178.689 176.600 -0.005 0.000 0.984 463 E CA 0.756 57.164 56.400 0.014 0.000 0.806 463 E CB -0.239 29.471 29.700 0.017 0.000 0.750 463 E HN 0.262 nan 8.360 nan 0.000 0.458 464 L N 0.898 122.111 121.223 -0.017 0.000 1.976 464 L HA -0.150 4.191 4.340 0.002 0.000 0.209 464 L C 2.410 179.247 176.870 -0.056 0.000 1.071 464 L CA 1.479 56.301 54.840 -0.031 0.000 0.746 464 L CB -0.738 41.301 42.059 -0.032 0.000 0.890 464 L HN 0.025 nan 8.230 nan 0.000 0.432 465 V N -1.402 118.466 119.914 -0.075 0.000 2.407 465 V HA -0.273 3.849 4.120 0.002 0.000 0.248 465 V C 2.657 178.650 176.094 -0.168 0.000 1.055 465 V CA 2.237 64.464 62.300 -0.122 0.000 1.049 465 V CB -0.289 31.456 31.823 -0.130 0.000 0.662 465 V HN 0.748 nan 8.190 nan 0.000 0.455 466 S N 0.508 116.124 115.700 -0.139 0.000 2.356 466 S HA -0.205 4.267 4.470 0.002 0.000 0.223 466 S C 1.825 176.396 174.600 -0.048 0.000 1.032 466 S CA 1.991 60.094 58.200 -0.163 0.000 1.005 466 S CB -0.635 62.605 63.200 0.067 0.000 0.867 466 S HN 0.774 nan 8.310 nan 0.000 0.449 467 N N 1.563 120.259 118.700 -0.006 0.000 2.166 467 N HA -0.038 4.704 4.740 0.002 0.000 0.186 467 N C 1.685 177.188 175.510 -0.011 0.000 1.019 467 N CA 1.178 54.235 53.050 0.012 0.000 0.856 467 N CB -0.485 38.006 38.487 0.007 0.000 0.993 467 N HN 0.482 nan 8.380 nan 0.000 0.426 468 E N 0.658 120.828 120.200 -0.049 0.000 2.150 468 E HA -0.028 4.323 4.350 0.002 0.000 0.193 468 E C 2.166 178.727 176.600 -0.066 0.000 0.985 468 E CA 0.282 56.647 56.400 -0.058 0.000 0.814 468 E CB -0.216 29.436 29.700 -0.081 0.000 0.752 468 E HN 0.398 nan 8.360 nan 0.000 0.466 469 L N 0.609 121.765 121.223 -0.113 0.000 2.056 469 L HA -0.149 4.192 4.340 0.002 0.000 0.207 469 L C 2.455 179.336 176.870 0.019 0.000 1.078 469 L CA 1.360 56.135 54.840 -0.109 0.000 0.749 469 L CB -0.583 41.270 42.059 -0.343 0.000 0.901 469 L HN 0.098 nan 8.230 nan 0.000 0.433 470 T N -0.706 113.903 114.554 0.093 0.000 2.788 470 T HA -0.233 4.118 4.350 0.002 0.000 0.268 470 T C 1.876 176.601 174.700 0.042 0.000 1.044 470 T CA 1.452 63.619 62.100 0.112 0.000 1.139 470 T CB -0.095 68.845 68.868 0.121 0.000 0.867 470 T HN 0.260 nan 8.240 nan 0.000 0.454 471 K N 1.309 121.720 120.400 0.018 0.000 2.097 471 K HA 0.057 4.378 4.320 0.002 0.000 0.206 471 K C 2.106 178.705 176.600 -0.001 0.000 1.049 471 K CA 1.164 57.453 56.287 0.003 0.000 0.933 471 K CB -0.216 32.279 32.500 -0.008 0.000 0.717 471 K HN 0.273 nan 8.250 nan 0.000 0.442 472 A N 0.083 122.900 122.820 -0.005 0.000 2.238 472 A HA 0.228 4.550 4.320 0.002 0.000 0.208 472 A C 1.212 178.799 177.584 0.005 0.000 1.177 472 A CA 0.643 52.676 52.037 -0.007 0.000 0.804 472 A CB -0.403 18.585 19.000 -0.021 0.000 0.823 472 A HN 0.575 nan 8.150 nan 0.000 0.482 473 G N -0.868 107.943 108.800 0.019 0.000 2.137 473 G HA2 -0.212 3.750 3.960 0.002 0.000 0.237 473 G HA3 -0.212 3.750 3.960 0.002 0.000 0.237 473 G C -0.054 174.867 174.900 0.036 0.000 1.002 473 G CA 0.268 45.382 45.100 0.022 0.000 0.702 473 G HN 0.470 nan 8.290 nan 0.000 0.515 474 I N 1.367 121.973 120.570 0.060 0.000 2.312 474 I HA 0.290 4.462 4.170 0.002 0.000 0.290 474 I C 0.731 176.961 176.117 0.188 0.000 1.008 474 I CA -0.747 60.603 61.300 0.084 0.000 1.226 474 I CB 1.089 39.118 38.000 0.049 0.000 1.371 474 I HN -0.057 nan 8.210 nan 0.000 0.468 475 K N 6.804 127.270 120.400 0.110 0.000 2.326 475 K HA 0.346 4.667 4.320 0.002 0.000 0.275 475 K C -0.341 176.325 176.600 0.111 0.000 1.018 475 K CA -0.245 56.071 56.287 0.049 0.000 0.962 475 K CB 0.654 33.145 32.500 -0.015 0.000 0.953 475 K HN 0.716 nan 8.250 nan 0.000 0.475 476 H N -0.318 118.744 119.070 -0.014 0.000 2.887 476 H HA 0.342 4.899 4.556 0.002 0.000 0.290 476 H C -1.415 173.905 175.328 -0.013 0.000 1.429 476 H CA -1.040 55.002 56.048 -0.009 0.000 1.137 476 H CB 0.887 30.645 29.762 -0.008 0.000 1.824 476 H HN 0.593 nan 8.280 nan 0.000 0.520 477 N N -0.476 118.258 118.700 0.055 0.000 2.242 477 N HA 0.462 5.204 4.740 0.002 0.000 0.292 477 N C -1.300 174.295 175.510 0.142 0.000 1.125 477 N CA -0.721 52.337 53.050 0.014 0.000 0.783 477 N CB 3.346 41.829 38.487 -0.006 0.000 1.558 477 N HN 0.343 nan 8.380 nan 0.000 0.472 478 V N 1.952 121.935 119.914 0.114 0.000 2.481 478 V HA 0.316 4.438 4.120 0.002 0.000 0.286 478 V C -0.008 176.134 176.094 0.080 0.000 1.042 478 V CA -0.740 61.625 62.300 0.109 0.000 0.928 478 V CB 1.205 33.092 31.823 0.106 0.000 0.986 478 V HN 0.499 nan 8.190 nan 0.000 0.462 479 L N 4.807 126.077 121.223 0.080 0.000 2.433 479 L HA 0.277 4.618 4.340 0.002 0.000 0.284 479 L C 0.428 177.357 176.870 0.098 0.000 1.120 479 L CA 0.020 54.912 54.840 0.086 0.000 0.879 479 L CB 0.083 42.189 42.059 0.078 0.000 1.232 479 L HN 0.611 nan 8.230 nan 0.000 0.454 480 N N 2.900 121.675 118.700 0.125 0.000 2.462 480 N HA 0.210 4.951 4.740 0.002 0.000 0.242 480 N C 0.794 176.364 175.510 0.100 0.000 1.010 480 N CA -0.135 53.002 53.050 0.144 0.000 0.939 480 N CB 1.840 40.471 38.487 0.241 0.000 1.127 480 N HN 0.614 nan 8.380 nan 0.000 0.509 481 A N 4.053 126.899 122.820 0.044 0.000 2.204 481 A HA -0.171 4.150 4.320 0.002 0.000 0.220 481 A C 1.711 179.122 177.584 -0.289 0.000 1.165 481 A CA 1.397 53.425 52.037 -0.014 0.000 0.671 481 A CB -0.214 18.806 19.000 0.033 0.000 0.792 481 A HN 0.762 nan 8.150 nan 0.000 0.473 482 K N -2.008 118.185 120.400 -0.346 0.000 2.426 482 K HA 0.144 4.466 4.320 0.002 0.000 0.193 482 K C -0.875 175.119 176.600 -1.010 0.000 1.028 482 K CA 0.300 56.145 56.287 -0.737 0.000 1.047 482 K CB 0.221 32.177 32.500 -0.907 0.000 0.821 482 K HN 0.467 nan 8.250 nan 0.000 0.513 483 F N -0.134 119.665 119.950 -0.252 0.000 2.769 483 F HA 0.250 4.778 4.527 0.002 0.000 0.358 483 F C 0.559 176.333 175.800 -0.043 0.000 1.285 483 F CA -0.774 57.147 58.000 -0.132 0.000 1.199 483 F CB 0.336 39.298 39.000 -0.064 0.000 1.558 483 F HN -0.008 nan 8.300 nan 0.000 0.583 484 H N 0.353 119.474 119.070 0.084 0.000 2.423 484 H HA -0.085 4.472 4.556 0.003 0.000 0.297 484 H C 2.132 177.493 175.328 0.055 0.000 1.075 484 H CA 1.110 57.186 56.048 0.047 0.000 1.342 484 H CB 0.535 30.299 29.762 0.003 0.000 1.395 484 H HN 0.603 nan 8.280 nan 0.000 0.530 485 A N 1.114 124.043 122.820 0.182 0.000 1.929 485 A HA -0.171 4.150 4.320 0.002 0.000 0.216 485 A C 1.987 179.626 177.584 0.091 0.000 1.176 485 A CA 1.320 53.424 52.037 0.110 0.000 0.628 485 A CB -0.150 18.902 19.000 0.086 0.000 0.816 485 A HN 0.371 nan 8.150 nan 0.000 0.444 486 N N 0.498 119.265 118.700 0.113 0.000 2.104 486 N HA -0.164 4.577 4.740 0.002 0.000 0.190 486 N C 1.575 177.127 175.510 0.070 0.000 1.024 486 N CA 1.687 54.777 53.050 0.067 0.000 0.853 486 N CB -0.474 38.041 38.487 0.046 0.000 1.008 486 N HN 0.666 nan 8.380 nan 0.000 0.424 487 E N 0.599 120.865 120.200 0.110 0.000 2.072 487 E HA -0.060 4.292 4.350 0.002 0.000 0.191 487 E C 1.962 178.603 176.600 0.068 0.000 0.985 487 E CA 0.996 57.456 56.400 0.099 0.000 0.801 487 E CB -0.099 29.686 29.700 0.141 0.000 0.750 487 E HN 0.366 nan 8.360 nan 0.000 0.452 488 A N 1.650 124.507 122.820 0.062 0.000 1.877 488 A HA -0.135 4.186 4.320 0.002 0.000 0.216 488 A C 2.422 180.024 177.584 0.030 0.000 1.186 488 A CA 1.763 53.821 52.037 0.036 0.000 0.620 488 A CB -0.676 18.339 19.000 0.025 0.000 0.822 488 A HN 0.293 nan 8.150 nan 0.000 0.443 489 A N -0.435 122.402 122.820 0.028 0.000 1.972 489 A HA -0.061 4.260 4.320 0.002 0.000 0.219 489 A C 2.091 179.686 177.584 0.018 0.000 1.169 489 A CA 1.513 53.560 52.037 0.017 0.000 0.635 489 A CB -0.572 18.433 19.000 0.007 0.000 0.810 489 A HN 0.514 nan 8.150 nan 0.000 0.446 490 I N -0.736 119.850 120.570 0.025 0.000 2.163 490 I HA -0.191 3.981 4.170 0.002 0.000 0.240 490 I C 2.355 178.497 176.117 0.041 0.000 1.081 490 I CA 1.080 62.395 61.300 0.025 0.000 1.353 490 I CB -0.327 37.692 38.000 0.032 0.000 1.054 490 I HN 0.145 nan 8.210 nan 0.000 0.407 491 V N 1.194 121.135 119.914 0.046 0.000 2.324 491 V HA -0.360 3.761 4.120 0.002 0.000 0.250 491 V C 2.685 178.817 176.094 0.063 0.000 1.060 491 V CA 2.097 64.428 62.300 0.052 0.000 1.042 491 V CB -1.205 30.643 31.823 0.042 0.000 0.650 491 V HN 0.535 nan 8.190 nan 0.000 0.450 492 A N -1.249 121.604 122.820 0.055 0.000 2.019 492 A HA -0.229 4.093 4.320 0.002 0.000 0.219 492 A C 2.022 179.672 177.584 0.110 0.000 1.164 492 A CA 1.570 53.648 52.037 0.068 0.000 0.644 492 A CB -0.325 18.701 19.000 0.044 0.000 0.805 492 A HN 0.652 nan 8.150 nan 0.000 0.449 493 Q N -1.382 118.477 119.800 0.099 0.000 2.188 493 Q HA 0.382 4.723 4.340 0.002 0.000 0.212 493 Q C 1.427 177.526 176.000 0.166 0.000 0.846 493 Q CA 0.312 56.200 55.803 0.142 0.000 0.989 493 Q CB 0.419 29.174 28.738 0.028 0.000 1.114 493 Q HN 0.629 nan 8.270 nan 0.000 0.488 494 A N -0.024 122.877 122.820 0.135 0.000 2.123 494 A HA 0.085 4.407 4.320 0.002 0.000 0.214 494 A C 1.798 179.461 177.584 0.132 0.000 1.152 494 A CA 1.077 53.184 52.037 0.116 0.000 0.728 494 A CB -0.023 19.028 19.000 0.084 0.000 0.814 494 A HN 0.390 nan 8.150 nan 0.000 0.464 495 G N -2.273 106.621 108.800 0.157 0.000 3.088 495 G HA2 0.228 4.190 3.960 0.002 0.000 0.217 495 G HA3 0.228 4.190 3.960 0.002 0.000 0.217 495 G C 0.235 175.214 174.900 0.132 0.000 1.159 495 G CA -0.346 44.835 45.100 0.135 0.000 0.760 495 G HN 0.416 nan 8.290 nan 0.000 0.550 496 Y N 1.905 122.245 120.300 0.066 0.000 2.597 496 Y HA 0.211 4.763 4.550 0.002 0.000 0.336 496 Y C -1.730 174.183 175.900 0.021 0.000 1.216 496 Y CA -1.700 56.431 58.100 0.051 0.000 1.463 496 Y CB 0.747 39.241 38.460 0.057 0.000 1.303 496 Y HN -0.010 nan 8.280 nan 0.000 0.576 497 P HA 0.025 nan 4.420 nan 0.000 0.260 497 P C -0.272 177.119 177.300 0.152 0.000 1.185 497 P CA 1.764 64.844 63.100 -0.033 0.000 0.763 497 P CB 0.372 31.991 31.700 -0.135 0.000 0.776 498 A N 2.401 125.278 122.820 0.094 0.000 3.080 498 A HA -0.085 4.237 4.320 0.002 0.000 0.254 498 A C 0.817 178.464 177.584 0.106 0.000 1.277 498 A CA 0.578 52.666 52.037 0.085 0.000 1.065 498 A CB -2.303 16.740 19.000 0.072 0.000 1.160 498 A HN 0.749 nan 8.150 nan 0.000 0.886 499 A N -0.464 122.440 122.820 0.140 0.000 2.462 499 A HA 0.547 4.869 4.320 0.002 0.000 0.243 499 A C 0.275 177.916 177.584 0.096 0.000 1.076 499 A CA 0.833 52.946 52.037 0.126 0.000 0.773 499 A CB 0.432 19.529 19.000 0.161 0.000 1.010 499 A HN 1.508 nan 8.150 nan 0.000 0.493 500 V N 2.419 122.390 119.914 0.095 0.000 2.623 500 V HA 0.586 4.707 4.120 0.002 0.000 0.304 500 V C -0.209 175.952 176.094 0.111 0.000 1.054 500 V CA -0.370 61.986 62.300 0.094 0.000 0.882 500 V CB 2.064 33.947 31.823 0.100 0.000 1.002 500 V HN 0.985 nan 8.190 nan 0.000 0.424 501 T N 5.843 120.444 114.554 0.078 0.000 2.881 501 T HA 0.647 4.998 4.350 0.002 0.000 0.290 501 T C -0.891 173.838 174.700 0.049 0.000 1.000 501 T CA -0.399 61.746 62.100 0.075 0.000 0.978 501 T CB 1.571 70.476 68.868 0.062 0.000 0.997 501 T HN 0.308 nan 8.240 nan 0.000 0.443 502 I N 2.638 123.244 120.570 0.060 0.000 2.389 502 I HA 0.709 4.880 4.170 0.002 0.000 0.288 502 I C 0.120 176.263 176.117 0.043 0.000 0.999 502 I CA -1.265 60.053 61.300 0.030 0.000 1.129 502 I CB 0.830 38.841 38.000 0.018 0.000 1.288 502 I HN 0.771 nan 8.210 nan 0.000 0.444 503 A N 4.589 127.429 122.820 0.034 0.000 2.365 503 A HA 0.829 5.150 4.320 0.002 0.000 0.318 503 A C -0.236 177.379 177.584 0.053 0.000 1.091 503 A CA -0.465 51.599 52.037 0.046 0.000 0.763 503 A CB 1.098 20.123 19.000 0.043 0.000 1.248 503 A HN 0.623 nan 8.150 nan 0.000 0.442 504 T N 2.709 117.300 114.554 0.061 0.000 2.758 504 T HA 0.328 4.679 4.350 0.002 0.000 0.285 504 T C -0.037 174.715 174.700 0.086 0.000 0.981 504 T CA -0.309 61.833 62.100 0.069 0.000 0.965 504 T CB 0.291 69.195 68.868 0.059 0.000 0.927 504 T HN 0.693 nan 8.240 nan 0.000 0.448 505 N N 2.259 121.035 118.700 0.126 0.000 2.700 505 N HA -0.176 4.565 4.740 0.002 0.000 0.265 505 N C -0.087 175.468 175.510 0.076 0.000 0.975 505 N CA 0.460 53.598 53.050 0.147 0.000 0.800 505 N CB -0.846 37.731 38.487 0.150 0.000 0.908 505 N HN 0.726 nan 8.380 nan 0.000 0.551 506 M N 0.290 119.931 119.600 0.068 0.000 2.249 506 M HA 0.116 4.598 4.480 0.002 0.000 0.340 506 M C 1.136 177.441 176.300 0.008 0.000 1.166 506 M CA 0.230 55.553 55.300 0.039 0.000 1.115 506 M CB 0.553 33.176 32.600 0.039 0.000 1.606 506 M HN 0.430 nan 8.290 nan 0.000 0.448 507 A N 3.779 126.601 122.820 0.003 0.000 2.372 507 A HA 0.670 4.991 4.320 0.002 0.000 0.271 507 A C 0.433 178.008 177.584 -0.015 0.000 1.470 507 A CA -0.021 52.008 52.037 -0.013 0.000 0.827 507 A CB -0.509 18.485 19.000 -0.009 0.000 1.405 507 A HN 0.906 nan 8.150 nan 0.000 0.536 508 G N -3.471 105.320 108.800 -0.016 0.000 2.511 508 G HA2 0.477 4.439 3.960 0.002 0.000 0.316 508 G HA3 0.477 4.439 3.960 0.002 0.000 0.316 508 G C 0.490 175.389 174.900 -0.003 0.000 1.210 508 G CA 0.443 45.537 45.100 -0.009 0.000 0.969 508 G HN 1.312 nan 8.290 nan 0.000 0.492 509 R N -0.905 119.596 120.500 0.003 0.000 1.605 509 R HA -0.210 4.132 4.340 0.002 0.000 0.081 509 R C 1.539 177.843 176.300 0.006 0.000 0.952 509 R CA 3.169 59.272 56.100 0.005 0.000 1.559 509 R CB -1.728 28.572 30.300 0.001 0.000 0.408 509 R HN 2.786 nan 8.270 nan 0.000 0.599 510 G N -1.302 107.499 108.800 0.001 0.000 2.915 510 G HA2 -0.289 3.673 3.960 0.002 0.000 0.291 510 G HA3 -0.289 3.673 3.960 0.002 0.000 0.291 510 G C -0.095 174.806 174.900 0.003 0.000 1.445 510 G CA 0.936 46.035 45.100 -0.001 0.000 0.938 510 G HN 1.441 nan 8.290 nan 0.000 0.556 511 T N -0.659 113.896 114.554 0.002 0.000 2.814 511 T HA 0.461 4.812 4.350 0.002 0.000 0.297 511 T C 0.268 174.979 174.700 0.018 0.000 0.956 511 T CA 0.029 62.131 62.100 0.004 0.000 1.123 511 T CB 1.660 70.525 68.868 -0.005 0.000 0.902 511 T HN 0.688 nan 8.240 nan 0.000 0.528 512 D N 1.523 121.935 120.400 0.021 0.000 2.360 512 D HA 0.249 4.890 4.640 0.002 0.000 0.242 512 D C -0.279 176.051 176.300 0.051 0.000 1.184 512 D CA -0.488 53.534 54.000 0.036 0.000 0.930 512 D CB 0.635 41.457 40.800 0.037 0.000 1.161 512 D HN 0.592 nan 8.370 nan 0.000 0.447 513 I N 2.068 122.679 120.570 0.068 0.000 2.411 513 I HA 0.129 4.300 4.170 0.002 0.000 0.284 513 I C -0.469 175.720 176.117 0.120 0.000 1.012 513 I CA -0.813 60.540 61.300 0.088 0.000 1.119 513 I CB 1.891 39.936 38.000 0.075 0.000 1.261 513 I HN -0.005 nan 8.210 nan 0.000 0.448 514 V N 7.134 127.144 119.914 0.159 0.000 2.465 514 V HA 0.312 4.434 4.120 0.002 0.000 0.279 514 V C 0.409 176.673 176.094 0.283 0.000 1.045 514 V CA -0.605 61.839 62.300 0.240 0.000 0.938 514 V CB 1.585 33.571 31.823 0.271 0.000 0.986 514 V HN 0.477 nan 8.190 nan 0.000 0.467 515 L N 4.794 126.195 121.223 0.297 0.000 2.410 515 L HA 0.426 4.767 4.340 0.002 0.000 0.273 515 L C 1.512 178.509 176.870 0.211 0.000 1.152 515 L CA 1.044 55.987 54.840 0.172 0.000 0.855 515 L CB 0.299 42.355 42.059 -0.004 0.000 1.129 515 L HN 0.991 nan 8.230 nan 0.000 0.463 516 G N 2.109 110.915 108.800 0.010 0.000 2.363 516 G HA2 -0.120 3.841 3.960 0.002 0.000 0.238 516 G HA3 -0.120 3.841 3.960 0.002 0.000 0.238 516 G C 0.546 175.527 174.900 0.134 0.000 1.062 516 G CA -0.026 45.000 45.100 -0.124 0.000 0.629 516 G HN 1.501 nan 8.290 nan 0.000 0.514 517 G N -1.839 107.210 108.800 0.415 0.000 2.343 517 G HA2 0.459 4.420 3.960 0.002 0.000 0.562 517 G HA3 0.459 4.420 3.960 0.002 0.000 0.562 517 G C -0.366 174.838 174.900 0.507 0.000 1.269 517 G CA 0.226 45.599 45.100 0.455 0.000 1.011 517 G HN 1.779 nan 8.290 nan 0.000 0.498 518 S N 1.169 117.043 115.700 0.291 0.000 2.474 518 S HA 0.450 4.921 4.470 0.002 0.000 0.320 518 S C 0.878 175.429 174.600 -0.082 0.000 1.067 518 S CA 0.028 58.270 58.200 0.069 0.000 1.127 518 S CB 0.350 63.563 63.200 0.022 0.000 0.971 518 S HN 1.065 nan 8.310 nan 0.000 0.472 519 W N 2.834 123.897 121.300 -0.396 0.000 2.640 519 W HA 0.021 4.683 4.660 0.003 0.000 0.268 519 W C 0.240 176.608 176.519 -0.252 0.000 1.263 519 W CA 0.197 57.313 57.345 -0.381 0.000 1.344 519 W CB -0.643 28.383 29.460 -0.723 0.000 1.093 519 W HN 0.546 nan 8.180 nan 0.000 0.603 520 Q N 1.593 120.622 119.800 -1.284 0.000 2.369 520 Q HA 0.086 4.428 4.340 0.002 0.000 0.206 520 Q C 2.519 178.274 176.000 -0.408 0.000 0.963 520 Q CA 1.868 57.132 55.803 -0.898 0.000 0.894 520 Q CB -0.652 27.438 28.738 -1.079 0.000 0.965 520 Q HN 0.293 nan 8.270 nan 0.000 0.475 521 A N 1.253 123.881 122.820 -0.321 0.000 1.832 521 A HA -0.211 4.111 4.320 0.002 0.000 0.214 521 A C 1.967 179.503 177.584 -0.080 0.000 1.204 521 A CA 1.330 53.272 52.037 -0.159 0.000 0.606 521 A CB -0.571 18.367 19.000 -0.103 0.000 0.849 521 A HN 0.334 nan 8.150 nan 0.000 0.445 522 E N -0.328 119.859 120.200 -0.023 0.000 2.136 522 E HA -0.232 4.119 4.350 0.002 0.000 0.202 522 E C 1.968 178.586 176.600 0.031 0.000 1.019 522 E CA 1.959 58.385 56.400 0.043 0.000 0.819 522 E CB -0.467 29.301 29.700 0.113 0.000 0.739 522 E HN 0.604 nan 8.360 nan 0.000 0.458 523 V N -0.372 119.556 119.914 0.023 0.000 2.613 523 V HA -0.269 3.852 4.120 0.002 0.000 0.259 523 V C 1.838 177.924 176.094 -0.013 0.000 1.099 523 V CA 2.026 64.332 62.300 0.009 0.000 1.115 523 V CB -0.726 31.097 31.823 -0.000 0.000 0.686 523 V HN 0.285 nan 8.190 nan 0.000 0.481 524 A N -0.584 122.219 122.820 -0.028 0.000 2.252 524 A HA 0.594 4.916 4.320 0.002 0.000 0.207 524 A C 2.145 179.719 177.584 -0.017 0.000 1.194 524 A CA 1.027 53.044 52.037 -0.032 0.000 0.809 524 A CB -0.649 18.322 19.000 -0.047 0.000 0.814 524 A HN 1.140 nan 8.150 nan 0.000 0.482 525 A N -1.010 121.807 122.820 -0.005 0.000 2.220 525 A HA 0.417 4.738 4.320 0.002 0.000 0.211 525 A C 0.759 178.343 177.584 0.001 0.000 1.176 525 A CA -0.084 51.952 52.037 -0.001 0.000 0.834 525 A CB -0.040 18.962 19.000 0.005 0.000 0.868 525 A HN 0.448 nan 8.150 nan 0.000 0.488 526 L N 1.723 122.947 121.223 0.002 0.000 2.268 526 L HA 0.202 4.544 4.340 0.002 0.000 0.289 526 L C 1.027 177.898 176.870 0.002 0.000 1.064 526 L CA -0.432 54.412 54.840 0.006 0.000 0.824 526 L CB 0.778 42.846 42.059 0.014 0.000 1.202 526 L HN 0.462 nan 8.230 nan 0.000 0.433 527 E N 3.201 123.402 120.200 0.002 0.000 2.318 527 E HA -0.078 4.273 4.350 0.002 0.000 0.193 527 E C 0.145 176.745 176.600 0.000 0.000 0.998 527 E CA 0.352 56.752 56.400 -0.001 0.000 0.859 527 E CB 0.246 29.946 29.700 -0.001 0.000 0.812 527 E HN 0.647 nan 8.360 nan 0.000 0.492 528 N N 1.640 120.342 118.700 0.004 0.000 2.711 528 N HA 0.158 4.899 4.740 0.002 0.000 0.263 528 N C -2.588 172.927 175.510 0.009 0.000 1.667 528 N CA -1.062 51.990 53.050 0.005 0.000 0.785 528 N CB 1.226 39.715 38.487 0.004 0.000 1.231 528 N HN -0.091 nan 8.380 nan 0.000 0.503 529 P HA 0.045 nan 4.420 nan 0.000 0.269 529 P C -0.175 177.135 177.300 0.018 0.000 1.217 529 P CA 0.220 63.331 63.100 0.017 0.000 0.783 529 P CB 1.442 33.153 31.700 0.019 0.000 0.898 530 T N -1.214 113.353 114.554 0.022 0.000 2.716 530 T HA 0.518 4.869 4.350 0.002 0.000 0.286 530 T C 1.188 175.903 174.700 0.024 0.000 1.052 530 T CA 0.165 62.277 62.100 0.020 0.000 1.024 530 T CB 1.025 69.903 68.868 0.016 0.000 1.349 530 T HN 0.315 nan 8.240 nan 0.000 0.525 531 A N 0.964 123.796 122.820 0.019 0.000 1.859 531 A HA -0.170 4.151 4.320 0.002 0.000 0.218 531 A C 1.799 179.394 177.584 0.019 0.000 1.242 531 A CA 2.848 54.896 52.037 0.018 0.000 0.661 531 A CB -1.420 17.588 19.000 0.013 0.000 0.842 531 A HN 0.915 nan 8.150 nan 0.000 0.455 532 E N -0.477 119.733 120.200 0.017 0.000 2.160 532 E HA -0.213 4.138 4.350 0.002 0.000 0.195 532 E C 2.241 178.855 176.600 0.024 0.000 0.991 532 E CA 1.621 58.031 56.400 0.017 0.000 0.810 532 E CB -0.182 29.527 29.700 0.015 0.000 0.742 532 E HN 0.776 nan 8.360 nan 0.000 0.466 533 Q N -0.300 119.518 119.800 0.030 0.000 1.994 533 Q HA -0.079 4.263 4.340 0.002 0.000 0.198 533 Q C 2.162 178.193 176.000 0.052 0.000 0.976 533 Q CA 0.978 56.804 55.803 0.038 0.000 0.828 533 Q CB 0.033 28.793 28.738 0.036 0.000 0.894 533 Q HN 0.285 nan 8.270 nan 0.000 0.432 534 I N 0.850 121.457 120.570 0.062 0.000 2.202 534 I HA -0.203 3.968 4.170 0.002 0.000 0.242 534 I C 2.019 178.172 176.117 0.061 0.000 1.091 534 I CA 1.083 62.439 61.300 0.093 0.000 1.368 534 I CB -1.096 36.979 38.000 0.125 0.000 1.058 534 I HN 0.180 nan 8.210 nan 0.000 0.410 535 E N 1.425 121.643 120.200 0.031 0.000 2.113 535 E HA -0.260 4.091 4.350 0.002 0.000 0.210 535 E C 2.108 178.706 176.600 -0.004 0.000 1.040 535 E CA 1.446 57.843 56.400 -0.004 0.000 0.847 535 E CB -0.386 29.314 29.700 -0.000 0.000 0.755 535 E HN 0.164 nan 8.360 nan 0.000 0.459 536 K N 0.324 120.736 120.400 0.019 0.000 2.001 536 K HA -0.124 4.197 4.320 0.002 0.000 0.214 536 K C 2.314 178.942 176.600 0.047 0.000 1.050 536 K CA 1.364 57.669 56.287 0.028 0.000 0.934 536 K CB -0.846 31.676 32.500 0.036 0.000 0.718 536 K HN 0.196 nan 8.250 nan 0.000 0.443 537 I N 0.933 121.547 120.570 0.073 0.000 2.315 537 I HA -0.301 3.870 4.170 0.002 0.000 0.251 537 I C 2.577 178.779 176.117 0.141 0.000 1.125 537 I CA 1.402 62.777 61.300 0.125 0.000 1.392 537 I CB -0.087 38.006 38.000 0.155 0.000 1.065 537 I HN 0.224 nan 8.210 nan 0.000 0.424 538 K N 0.491 120.910 120.400 0.032 0.000 2.067 538 K HA -0.059 4.263 4.320 0.002 0.000 0.203 538 K C 2.216 178.788 176.600 -0.046 0.000 1.048 538 K CA 1.093 57.280 56.287 -0.166 0.000 0.954 538 K CB -0.063 32.181 32.500 -0.427 0.000 0.737 538 K HN 0.259 nan 8.250 nan 0.000 0.444 539 A N 1.719 124.520 122.820 -0.030 0.000 1.902 539 A HA -0.180 4.141 4.320 0.002 0.000 0.217 539 A C 1.632 179.228 177.584 0.021 0.000 1.181 539 A CA 1.904 53.933 52.037 -0.014 0.000 0.623 539 A CB -0.506 18.483 19.000 -0.019 0.000 0.818 539 A HN 0.354 nan 8.150 nan 0.000 0.443 540 D N -1.399 119.034 120.400 0.055 0.000 2.117 540 D HA -0.182 4.460 4.640 0.002 0.000 0.197 540 D C 1.597 177.943 176.300 0.077 0.000 0.987 540 D CA 1.346 55.382 54.000 0.059 0.000 0.829 540 D CB -0.455 40.398 40.800 0.088 0.000 0.961 540 D HN 0.775 nan 8.370 nan 0.000 0.460 541 W N 1.806 123.084 121.300 -0.037 0.000 2.350 541 W HA -0.221 4.440 4.660 0.003 0.000 0.289 541 W C 2.385 178.875 176.519 -0.048 0.000 1.215 541 W CA 1.446 58.777 57.345 -0.023 0.000 1.236 541 W CB -0.153 29.301 29.460 -0.010 0.000 1.130 541 W HN -0.092 nan 8.180 nan 0.000 0.541 542 Q N 0.332 120.084 119.800 -0.079 0.000 2.050 542 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 542 Q C 2.069 177.883 176.000 -0.309 0.000 0.980 542 Q CA 2.867 58.491 55.803 -0.299 0.000 0.840 542 Q CB -0.772 27.919 28.738 -0.079 0.000 0.898 542 Q HN 0.229 nan 8.270 nan 0.000 0.424 543 V N 0.794 120.595 119.914 -0.188 0.000 2.332 543 V HA -0.296 3.825 4.120 0.002 0.000 0.248 543 V C 2.333 178.289 176.094 -0.231 0.000 1.055 543 V CA 2.304 64.505 62.300 -0.164 0.000 1.038 543 V CB -0.598 31.164 31.823 -0.103 0.000 0.651 543 V HN 0.360 nan 8.190 nan 0.000 0.450 544 R N -1.011 119.315 120.500 -0.290 0.000 2.081 544 R HA -0.164 4.178 4.340 0.002 0.000 0.235 544 R C 2.419 178.464 176.300 -0.424 0.000 1.131 544 R CA 1.588 57.474 56.100 -0.357 0.000 0.960 544 R CB -0.677 29.386 30.300 -0.395 0.000 0.856 544 R HN 0.640 nan 8.270 nan 0.000 0.436 545 H N 1.273 119.886 119.070 -0.761 0.000 2.319 545 H HA -0.137 4.420 4.556 0.002 0.000 0.299 545 H C 1.063 176.137 175.328 -0.423 0.000 1.092 545 H CA 1.923 57.516 56.048 -0.757 0.000 1.302 545 H CB 0.190 29.112 29.762 -1.400 0.000 1.373 545 H HN 0.151 nan 8.280 nan 0.000 0.497 546 D N 0.412 120.632 120.400 -0.300 0.000 2.144 546 D HA -0.059 4.582 4.640 0.002 0.000 0.200 546 D C 2.255 178.428 176.300 -0.212 0.000 0.978 546 D CA 1.091 54.963 54.000 -0.213 0.000 0.833 546 D CB -0.499 40.224 40.800 -0.129 0.000 0.961 546 D HN 0.460 nan 8.370 nan 0.000 0.470 547 A N 0.622 123.315 122.820 -0.210 0.000 1.972 547 A HA -0.116 4.205 4.320 0.002 0.000 0.219 547 A C 2.454 179.929 177.584 -0.182 0.000 1.169 547 A CA 1.019 52.952 52.037 -0.174 0.000 0.635 547 A CB -0.583 18.322 19.000 -0.159 0.000 0.810 547 A HN 0.152 nan 8.150 nan 0.000 0.446 548 V N -0.081 119.691 119.914 -0.237 0.000 2.453 548 V HA -0.197 3.925 4.120 0.002 0.000 0.247 548 V C 2.498 178.471 176.094 -0.201 0.000 1.048 548 V CA 1.651 63.827 62.300 -0.207 0.000 1.049 548 V CB -0.658 31.026 31.823 -0.233 0.000 0.672 548 V HN 0.558 nan 8.190 nan 0.000 0.457 549 L N -0.358 120.701 121.223 -0.273 0.000 2.056 549 L HA -0.159 4.183 4.340 0.002 0.000 0.207 549 L C 2.627 179.417 176.870 -0.134 0.000 1.078 549 L CA 1.465 56.174 54.840 -0.217 0.000 0.749 549 L CB -0.419 41.484 42.059 -0.260 0.000 0.901 549 L HN 0.322 nan 8.230 nan 0.000 0.433 550 E N 0.451 120.574 120.200 -0.129 0.000 2.106 550 E HA -0.133 4.218 4.350 0.002 0.000 0.192 550 E C 1.960 178.513 176.600 -0.077 0.000 0.984 550 E CA 1.104 57.450 56.400 -0.091 0.000 0.806 550 E CB -0.113 29.535 29.700 -0.087 0.000 0.750 550 E HN 0.358 nan 8.360 nan 0.000 0.458 551 A N -0.745 122.024 122.820 -0.085 0.000 2.264 551 A HA 0.237 4.559 4.320 0.002 0.000 0.207 551 A C 1.615 179.164 177.584 -0.057 0.000 1.196 551 A CA 1.151 53.147 52.037 -0.068 0.000 0.778 551 A CB -0.845 18.113 19.000 -0.069 0.000 0.779 551 A HN 0.396 nan 8.150 nan 0.000 0.483 552 G N -3.118 105.649 108.800 -0.056 0.000 2.176 552 G HA2 0.215 4.177 3.960 0.002 0.000 0.232 552 G HA3 0.215 4.177 3.960 0.002 0.000 0.232 552 G C 1.467 176.354 174.900 -0.022 0.000 0.986 552 G CA 0.451 45.530 45.100 -0.036 0.000 0.643 552 G HN 2.300 nan 8.290 nan 0.000 0.522 553 G N -0.781 107.990 108.800 -0.047 0.000 2.569 553 G HA2 0.093 4.054 3.960 0.002 0.000 0.259 553 G HA3 0.093 4.054 3.960 0.002 0.000 0.259 553 G C 0.049 174.951 174.900 0.003 0.000 1.263 553 G CA 0.246 45.321 45.100 -0.041 0.000 0.928 553 G HN 1.744 nan 8.290 nan 0.000 0.572 554 L N 0.998 122.234 121.223 0.022 0.000 2.360 554 L HA 0.644 4.986 4.340 0.002 0.000 0.276 554 L C 0.471 177.391 176.870 0.083 0.000 1.121 554 L CA -0.284 54.584 54.840 0.047 0.000 0.845 554 L CB 0.604 42.685 42.059 0.037 0.000 1.143 554 L HN 0.860 nan 8.230 nan 0.000 0.452 555 H N 5.416 124.483 119.070 -0.006 0.000 2.517 555 H HA 0.484 5.041 4.556 0.002 0.000 0.317 555 H C -0.783 174.535 175.328 -0.018 0.000 1.080 555 H CA -0.668 55.374 56.048 -0.009 0.000 1.301 555 H CB 0.675 30.434 29.762 -0.004 0.000 1.425 555 H HN 0.517 nan 8.280 nan 0.000 0.471 556 I N 7.433 127.704 120.570 -0.499 0.000 2.321 556 I HA 0.184 4.355 4.170 0.002 0.000 0.291 556 I C -0.013 175.689 176.117 -0.692 0.000 0.998 556 I CA -0.437 60.586 61.300 -0.462 0.000 1.227 556 I CB 0.959 38.778 38.000 -0.303 0.000 1.368 556 I HN 0.610 nan 8.210 nan 0.000 0.466 557 I N 5.377 125.692 120.570 -0.426 0.000 2.307 557 I HA 0.295 4.466 4.170 0.002 0.000 0.289 557 I C 0.776 176.732 176.117 -0.269 0.000 1.021 557 I CA -0.340 60.810 61.300 -0.250 0.000 1.224 557 I CB 1.646 39.599 38.000 -0.078 0.000 1.376 557 I HN 0.620 nan 8.210 nan 0.000 0.470 558 G N 3.088 111.615 108.800 -0.455 0.000 2.327 558 G HA2 0.282 4.243 3.960 0.002 0.000 0.302 558 G HA3 0.282 4.243 3.960 0.002 0.000 0.302 558 G C 0.998 175.953 174.900 0.091 0.000 1.113 558 G CA -0.307 44.622 45.100 -0.284 0.000 0.921 558 G HN 0.739 nan 8.290 nan 0.000 0.425 559 T N -0.253 114.352 114.554 0.086 0.000 3.055 559 T HA 0.144 4.496 4.350 0.002 0.000 0.265 559 T C 0.478 175.268 174.700 0.150 0.000 1.111 559 T CA 0.651 62.803 62.100 0.087 0.000 1.118 559 T CB 0.103 68.963 68.868 -0.014 0.000 0.909 559 T HN 0.437 nan 8.240 nan 0.000 0.501 560 E N -0.270 120.037 120.200 0.177 0.000 2.372 560 E HA 0.521 4.873 4.350 0.002 0.000 0.279 560 E C -0.976 175.748 176.600 0.206 0.000 0.946 560 E CA -0.747 55.742 56.400 0.149 0.000 0.769 560 E CB 1.643 31.364 29.700 0.034 0.000 1.230 560 E HN 0.156 nan 8.360 nan 0.000 0.442 561 R N 0.989 121.577 120.500 0.147 0.000 2.560 561 R HA 0.407 4.749 4.340 0.002 0.000 0.270 561 R C -0.334 175.967 176.300 0.002 0.000 1.074 561 R CA -0.632 55.517 56.100 0.081 0.000 1.140 561 R CB 0.391 30.651 30.300 -0.066 0.000 1.073 561 R HN 0.522 nan 8.270 nan 0.000 0.527 562 H N 0.423 119.498 119.070 0.008 0.000 2.546 562 H HA 0.006 4.563 4.556 0.003 0.000 0.365 562 H C 0.961 176.269 175.328 -0.034 0.000 1.220 562 H CA 0.008 56.056 56.048 0.001 0.000 1.386 562 H CB 0.882 30.651 29.762 0.011 0.000 1.510 562 H HN 0.633 nan 8.280 nan 0.000 0.591 563 E N 0.621 120.869 120.200 0.080 0.000 2.031 563 E HA -0.143 4.208 4.350 0.002 0.000 0.193 563 E C 0.390 177.010 176.600 0.033 0.000 0.994 563 E CA 0.860 57.274 56.400 0.023 0.000 0.800 563 E CB 0.083 29.794 29.700 0.020 0.000 0.752 563 E HN 0.383 nan 8.360 nan 0.000 0.447 564 S N 0.204 115.946 115.700 0.070 0.000 2.481 564 S HA 0.032 4.504 4.470 0.002 0.000 0.282 564 S C 0.764 175.371 174.600 0.011 0.000 1.243 564 S CA -0.145 58.075 58.200 0.033 0.000 1.078 564 S CB 0.665 63.877 63.200 0.019 0.000 0.916 564 S HN 0.193 nan 8.310 nan 0.000 0.495 565 R N 3.770 124.261 120.500 -0.015 0.000 2.148 565 R HA 0.014 4.355 4.340 0.002 0.000 0.223 565 R C 2.475 178.753 176.300 -0.036 0.000 1.088 565 R CA 0.771 56.842 56.100 -0.048 0.000 0.985 565 R CB -0.103 30.163 30.300 -0.057 0.000 0.880 565 R HN 0.685 nan 8.270 nan 0.000 0.451 566 R N 0.761 121.251 120.500 -0.016 0.000 2.113 566 R HA -0.200 4.142 4.340 0.002 0.000 0.244 566 R C 2.019 178.303 176.300 -0.026 0.000 1.142 566 R CA 1.906 58.000 56.100 -0.011 0.000 0.953 566 R CB -0.356 29.940 30.300 -0.006 0.000 0.860 566 R HN 0.280 nan 8.270 nan 0.000 0.438 567 I N 0.704 121.235 120.570 -0.065 0.000 2.202 567 I HA -0.273 3.898 4.170 0.002 0.000 0.242 567 I C 1.787 177.872 176.117 -0.053 0.000 1.091 567 I CA 1.302 62.525 61.300 -0.128 0.000 1.368 567 I CB -0.481 37.324 38.000 -0.326 0.000 1.058 567 I HN 0.166 nan 8.210 nan 0.000 0.410 568 D N 1.123 121.520 120.400 -0.005 0.000 2.104 568 D HA -0.178 4.463 4.640 0.002 0.000 0.194 568 D C 1.863 178.250 176.300 0.146 0.000 0.994 568 D CA 1.263 55.319 54.000 0.092 0.000 0.830 568 D CB -0.597 40.046 40.800 -0.260 0.000 0.959 568 D HN 0.288 nan 8.370 nan 0.000 0.452 569 N N 0.754 119.481 118.700 0.045 0.000 2.223 569 N HA -0.125 4.616 4.740 0.002 0.000 0.185 569 N C 1.800 177.353 175.510 0.072 0.000 1.016 569 N CA 0.659 53.748 53.050 0.064 0.000 0.863 569 N CB -0.231 38.274 38.487 0.029 0.000 0.983 569 N HN 0.434 nan 8.380 nan 0.000 0.429 570 Q N -0.024 119.804 119.800 0.047 0.000 2.119 570 Q HA -0.039 4.302 4.340 0.002 0.000 0.201 570 Q C 2.026 178.054 176.000 0.047 0.000 0.972 570 Q CA 0.632 56.455 55.803 0.033 0.000 0.847 570 Q CB -0.094 28.646 28.738 0.004 0.000 0.903 570 Q HN 0.234 nan 8.270 nan 0.000 0.433 571 L N 1.481 122.749 121.223 0.075 0.000 2.027 571 L HA -0.195 4.146 4.340 0.002 0.000 0.206 571 L C 2.455 179.365 176.870 0.066 0.000 1.074 571 L CA 1.780 56.668 54.840 0.079 0.000 0.745 571 L CB -0.306 41.830 42.059 0.127 0.000 0.898 571 L HN 0.103 nan 8.230 nan 0.000 0.433 572 R N -0.838 119.740 120.500 0.129 0.000 2.148 572 R HA -0.026 4.316 4.340 0.002 0.000 0.227 572 R C 1.887 178.219 176.300 0.052 0.000 1.103 572 R CA 1.249 57.400 56.100 0.085 0.000 0.983 572 R CB -1.255 29.153 30.300 0.180 0.000 0.874 572 R HN 0.403 nan 8.270 nan 0.000 0.451 573 G N 0.804 109.638 108.800 0.057 0.000 2.848 573 G HA2 -0.092 3.869 3.960 0.002 0.000 0.208 573 G HA3 -0.092 3.869 3.960 0.002 0.000 0.208 573 G C 1.132 176.052 174.900 0.033 0.000 1.152 573 G CA -0.311 44.815 45.100 0.043 0.000 0.789 573 G HN 0.278 nan 8.290 nan 0.000 0.531 574 R N 0.075 120.591 120.500 0.028 0.000 2.237 574 R HA 0.044 4.385 4.340 0.002 0.000 0.219 574 R C 1.070 177.386 176.300 0.026 0.000 1.080 574 R CA 0.620 56.734 56.100 0.025 0.000 0.995 574 R CB 0.025 30.335 30.300 0.018 0.000 0.875 574 R HN 0.318 nan 8.270 nan 0.000 0.462 575 S N -1.329 114.384 115.700 0.022 0.000 2.532 575 S HA 0.483 4.954 4.470 0.002 0.000 0.301 575 S C 0.486 175.104 174.600 0.030 0.000 1.083 575 S CA 0.015 58.228 58.200 0.023 0.000 1.025 575 S CB 1.893 65.098 63.200 0.007 0.000 1.056 575 S HN 0.386 nan 8.310 nan 0.000 0.494 576 G N 3.066 111.885 108.800 0.033 0.000 2.160 576 G HA2 -0.209 3.752 3.960 0.002 0.000 0.244 576 G HA3 -0.209 3.752 3.960 0.002 0.000 0.244 576 G C -0.019 174.902 174.900 0.035 0.000 1.022 576 G CA 0.107 45.226 45.100 0.032 0.000 0.741 576 G HN 0.809 nan 8.290 nan 0.000 0.508 577 R N -0.158 120.368 120.500 0.043 0.000 2.543 577 R HA 0.399 4.740 4.340 0.002 0.000 0.277 577 R C 1.027 177.356 176.300 0.049 0.000 1.074 577 R CA 0.032 56.159 56.100 0.045 0.000 1.076 577 R CB 0.251 30.581 30.300 0.050 0.000 0.993 577 R HN 0.499 nan 8.270 nan 0.000 0.459 578 Q N 0.586 120.409 119.800 0.037 0.000 2.451 578 Q HA -0.265 4.076 4.340 0.002 0.000 0.305 578 Q C 0.657 176.674 176.000 0.027 0.000 1.345 578 Q CA 0.663 56.483 55.803 0.027 0.000 0.854 578 Q CB -1.408 27.356 28.738 0.043 0.000 1.162 578 Q HN 1.208 nan 8.270 nan 0.000 0.440 579 G N -0.757 108.056 108.800 0.020 0.000 2.179 579 G HA2 -0.287 3.675 3.960 0.002 0.000 0.260 579 G HA3 -0.287 3.675 3.960 0.002 0.000 0.260 579 G C -0.081 174.835 174.900 0.026 0.000 0.977 579 G CA 0.135 45.245 45.100 0.017 0.000 0.641 579 G HN 0.489 nan 8.290 nan 0.000 0.533 580 D N 1.292 121.716 120.400 0.040 0.000 2.506 580 D HA 0.461 5.102 4.640 0.002 0.000 0.234 580 D C 1.114 177.420 176.300 0.010 0.000 1.143 580 D CA 0.926 54.944 54.000 0.030 0.000 0.871 580 D CB 0.768 41.595 40.800 0.045 0.000 1.190 580 D HN 0.824 nan 8.370 nan 0.000 0.459 581 A N 1.375 124.188 122.820 -0.011 0.000 2.483 581 A HA 0.538 4.859 4.320 0.002 0.000 0.238 581 A C 0.767 178.352 177.584 0.001 0.000 1.070 581 A CA 0.679 52.710 52.037 -0.011 0.000 0.770 581 A CB 0.318 19.299 19.000 -0.030 0.000 1.008 581 A HN 0.599 nan 8.150 nan 0.000 0.497 582 G N -0.555 108.256 108.800 0.018 0.000 2.495 582 G HA2 0.697 4.658 3.960 0.002 0.000 0.294 582 G HA3 0.697 4.658 3.960 0.002 0.000 0.294 582 G C -0.830 174.106 174.900 0.060 0.000 1.397 582 G CA 0.231 45.353 45.100 0.037 0.000 0.790 582 G HN 1.912 nan 8.290 nan 0.000 0.486 583 S N -1.528 114.231 115.700 0.099 0.000 2.570 583 S HA 0.875 5.347 4.470 0.002 0.000 0.270 583 S C -0.617 174.038 174.600 0.091 0.000 1.149 583 S CA 0.053 58.340 58.200 0.144 0.000 0.837 583 S CB 1.527 64.861 63.200 0.223 0.000 1.124 583 S HN 2.207 nan 8.310 nan 0.000 0.465 584 S N 0.369 116.097 115.700 0.047 0.000 2.569 584 S HA 0.874 5.346 4.470 0.002 0.000 0.280 584 S C -0.965 173.618 174.600 -0.029 0.000 1.111 584 S CA -0.858 57.267 58.200 -0.125 0.000 0.887 584 S CB 2.094 65.249 63.200 -0.076 0.000 1.095 584 S HN 1.101 nan 8.310 nan 0.000 0.476 585 R N 1.057 121.449 120.500 -0.180 0.000 2.548 585 R HA 0.636 4.977 4.340 0.002 0.000 0.280 585 R C -2.213 173.959 176.300 -0.215 0.000 1.061 585 R CA -0.461 55.597 56.100 -0.071 0.000 0.915 585 R CB 0.934 31.272 30.300 0.062 0.000 1.210 585 R HN 0.668 nan 8.270 nan 0.000 0.442 586 F N 3.655 123.564 119.950 -0.069 0.000 2.422 586 F HA 0.485 5.014 4.527 0.002 0.000 0.333 586 F C -0.399 175.318 175.800 -0.139 0.000 1.095 586 F CA -0.355 57.645 58.000 -0.001 0.000 1.038 586 F CB 1.289 40.300 39.000 0.017 0.000 1.156 586 F HN 0.387 nan 8.300 nan 0.000 0.483 587 Y N 2.519 122.957 120.300 0.229 0.000 2.446 587 Y HA 0.730 5.281 4.550 0.002 0.000 0.338 587 Y C -0.670 175.345 175.900 0.192 0.000 1.055 587 Y CA -0.857 57.365 58.100 0.204 0.000 1.101 587 Y CB 1.655 40.196 38.460 0.135 0.000 1.221 587 Y HN 0.324 nan 8.280 nan 0.000 0.460 588 L N 1.786 123.200 121.223 0.319 0.000 2.465 588 L HA 0.684 5.025 4.340 0.002 0.000 0.257 588 L C -0.755 176.259 176.870 0.241 0.000 0.988 588 L CA -0.532 54.439 54.840 0.218 0.000 0.827 588 L CB 2.557 44.698 42.059 0.136 0.000 1.397 588 L HN 0.648 nan 8.230 nan 0.000 0.410 589 S N 0.594 116.403 115.700 0.180 0.000 2.599 589 S HA 0.551 5.023 4.470 0.002 0.000 0.287 589 S C 0.663 175.331 174.600 0.112 0.000 1.105 589 S CA -0.837 57.462 58.200 0.165 0.000 0.899 589 S CB 1.575 64.868 63.200 0.155 0.000 1.100 589 S HN 0.493 nan 8.310 nan 0.000 0.482 590 M N 1.441 121.097 119.600 0.093 0.000 2.149 590 M HA -0.070 4.411 4.480 0.002 0.000 0.261 590 M C 1.588 177.931 176.300 0.072 0.000 1.064 590 M CA 1.664 57.008 55.300 0.072 0.000 1.102 590 M CB -1.837 30.794 32.600 0.053 0.000 1.369 590 M HN 0.851 nan 8.290 nan 0.000 0.408 591 E N 0.187 120.428 120.200 0.068 0.000 2.472 591 E HA -0.084 4.267 4.350 0.002 0.000 0.200 591 E C -0.200 176.432 176.600 0.054 0.000 1.046 591 E CA 0.068 56.501 56.400 0.055 0.000 0.871 591 E CB -0.093 29.636 29.700 0.048 0.000 0.806 591 E HN 0.472 nan 8.360 nan 0.000 0.533 592 D N -0.072 120.368 120.400 0.067 0.000 2.341 592 D HA 0.100 4.741 4.640 0.002 0.000 0.245 592 D C 0.891 177.220 176.300 0.049 0.000 1.106 592 D CA 0.128 54.163 54.000 0.057 0.000 0.905 592 D CB 1.147 41.991 40.800 0.073 0.000 1.202 592 D HN -0.022 nan 8.370 nan 0.000 0.426 593 A N 1.959 124.796 122.820 0.027 0.000 1.851 593 A HA -0.202 4.119 4.320 0.002 0.000 0.216 593 A C 2.020 179.615 177.584 0.018 0.000 1.195 593 A CA 1.143 53.191 52.037 0.018 0.000 0.622 593 A CB -0.916 18.084 19.000 -0.001 0.000 0.831 593 A HN 0.562 nan 8.150 nan 0.000 0.444 594 L N -1.578 119.648 121.223 0.005 0.000 2.302 594 L HA -0.246 4.095 4.340 0.002 0.000 0.218 594 L C 2.357 179.235 176.870 0.013 0.000 1.100 594 L CA 2.188 57.020 54.840 -0.013 0.000 0.774 594 L CB -0.371 41.680 42.059 -0.012 0.000 0.896 594 L HN 0.454 nan 8.230 nan 0.000 0.439 595 M N -1.708 117.949 119.600 0.095 0.000 2.460 595 M HA -0.103 4.378 4.480 0.002 0.000 0.263 595 M C 2.009 178.429 176.300 0.200 0.000 1.071 595 M CA 1.125 56.560 55.300 0.225 0.000 1.096 595 M CB -0.283 32.440 32.600 0.205 0.000 1.408 595 M HN 0.066 nan 8.290 nan 0.000 0.463 596 R N 0.441 120.987 120.500 0.077 0.000 2.120 596 R HA -0.066 4.276 4.340 0.002 0.000 0.234 596 R C 1.974 178.269 176.300 -0.010 0.000 1.123 596 R CA 1.433 57.562 56.100 0.048 0.000 0.975 596 R CB -1.265 29.050 30.300 0.024 0.000 0.866 596 R HN 0.653 nan 8.270 nan 0.000 0.446 597 I N -2.290 118.199 120.570 -0.134 0.000 2.761 597 I HA -0.172 4.000 4.170 0.002 0.000 0.266 597 I C 0.234 176.161 176.117 -0.316 0.000 1.239 597 I CA 1.239 62.385 61.300 -0.257 0.000 1.451 597 I CB -0.519 37.232 38.000 -0.415 0.000 1.096 597 I HN -0.161 nan 8.210 nan 0.000 0.465 598 F N 2.019 121.981 119.950 0.021 0.000 2.898 598 F HA 0.597 5.126 4.527 0.003 0.000 0.290 598 F C 1.846 177.660 175.800 0.023 0.000 1.195 598 F CA 0.023 58.038 58.000 0.026 0.000 1.387 598 F CB -0.460 38.561 39.000 0.034 0.000 0.976 598 F HN 0.180 nan 8.300 nan 0.000 0.510 599 A N -0.482 122.412 122.820 0.123 0.000 2.710 599 A HA -0.332 3.990 4.320 0.002 0.000 0.302 599 A C 1.209 178.847 177.584 0.089 0.000 1.285 599 A CA 1.794 53.882 52.037 0.085 0.000 1.153 599 A CB -1.375 17.663 19.000 0.063 0.000 0.751 599 A HN 0.409 nan 8.150 nan 0.000 0.476 600 S N -1.979 113.792 115.700 0.118 0.000 2.647 600 S HA 0.481 4.953 4.470 0.002 0.000 0.300 600 S C 0.283 174.934 174.600 0.086 0.000 1.129 600 S CA 0.183 58.434 58.200 0.083 0.000 1.029 600 S CB 1.579 64.818 63.200 0.065 0.000 1.007 600 S HN 0.326 nan 8.310 nan 0.000 0.484 601 D N 3.106 123.544 120.400 0.064 0.000 2.144 601 D HA -0.075 4.567 4.640 0.002 0.000 0.199 601 D C 1.931 178.254 176.300 0.039 0.000 0.984 601 D CA 1.306 55.339 54.000 0.055 0.000 0.834 601 D CB 0.192 41.017 40.800 0.042 0.000 0.955 601 D HN 0.608 nan 8.370 nan 0.000 0.465 602 R N -0.666 119.851 120.500 0.029 0.000 2.119 602 R HA 0.002 4.343 4.340 0.002 0.000 0.222 602 R C 2.016 178.318 176.300 0.004 0.000 1.088 602 R CA 0.627 56.736 56.100 0.015 0.000 0.984 602 R CB 0.026 30.334 30.300 0.012 0.000 0.884 602 R HN 0.059 nan 8.270 nan 0.000 0.447 603 V N -0.158 119.762 119.914 0.010 0.000 2.270 603 V HA -0.202 3.920 4.120 0.002 0.000 0.245 603 V C 2.136 178.196 176.094 -0.056 0.000 1.043 603 V CA 1.945 64.238 62.300 -0.012 0.000 1.014 603 V CB -0.442 31.388 31.823 0.012 0.000 0.645 603 V HN 0.326 nan 8.190 nan 0.000 0.447 604 S N 0.796 116.474 115.700 -0.036 0.000 2.368 604 S HA -0.224 4.247 4.470 0.002 0.000 0.226 604 S C 1.920 176.492 174.600 -0.047 0.000 1.044 604 S CA 1.764 59.921 58.200 -0.071 0.000 1.062 604 S CB -0.871 62.374 63.200 0.075 0.000 0.931 604 S HN 0.719 nan 8.310 nan 0.000 0.440 605 G N 0.414 109.210 108.800 -0.007 0.000 2.708 605 G HA2 -0.088 3.873 3.960 0.002 0.000 0.210 605 G HA3 -0.088 3.873 3.960 0.002 0.000 0.210 605 G C 1.156 176.050 174.900 -0.010 0.000 1.141 605 G CA 0.232 45.331 45.100 -0.001 0.000 0.788 605 G HN 0.255 nan 8.290 nan 0.000 0.531 606 M N 0.027 119.613 119.600 -0.024 0.000 2.115 606 M HA 0.169 4.650 4.480 0.002 0.000 0.261 606 M C 2.578 178.870 176.300 -0.012 0.000 1.079 606 M CA 0.859 56.147 55.300 -0.020 0.000 1.143 606 M CB -0.788 31.794 32.600 -0.030 0.000 1.332 606 M HN 0.187 nan 8.290 nan 0.000 0.421 607 M N -0.139 119.452 119.600 -0.014 0.000 2.153 607 M HA -0.320 4.161 4.480 0.002 0.000 0.253 607 M C 1.919 178.216 176.300 -0.006 0.000 1.081 607 M CA 1.706 57.002 55.300 -0.006 0.000 1.076 607 M CB -0.871 31.701 32.600 -0.047 0.000 1.350 607 M HN 0.306 nan 8.290 nan 0.000 0.401 608 R N -0.436 120.061 120.500 -0.004 0.000 2.174 608 R HA -0.231 4.110 4.340 0.002 0.000 0.253 608 R C 1.915 178.220 176.300 0.008 0.000 1.165 608 R CA 1.557 57.661 56.100 0.006 0.000 0.984 608 R CB -0.473 29.832 30.300 0.009 0.000 0.873 608 R HN 0.241 nan 8.270 nan 0.000 0.456 609 K N 0.314 120.716 120.400 0.004 0.000 2.361 609 K HA 0.049 4.371 4.320 0.002 0.000 0.196 609 K C 0.290 176.894 176.600 0.008 0.000 1.039 609 K CA 0.335 56.624 56.287 0.004 0.000 1.001 609 K CB 0.358 32.857 32.500 -0.003 0.000 0.795 609 K HN -0.039 nan 8.250 nan 0.000 0.495 610 L N 0.813 122.042 121.223 0.009 0.000 2.583 610 L HA 0.233 4.575 4.340 0.002 0.000 0.239 610 L C 0.842 177.727 176.870 0.024 0.000 1.347 610 L CA -0.117 54.735 54.840 0.021 0.000 1.246 610 L CB 0.234 42.299 42.059 0.010 0.000 1.496 610 L HN 0.022 nan 8.230 nan 0.000 0.413 611 G N 1.161 109.975 108.800 0.024 0.000 3.471 611 G HA2 0.234 4.196 3.960 0.002 0.000 0.254 611 G HA3 0.234 4.196 3.960 0.002 0.000 0.254 611 G C 0.828 175.744 174.900 0.026 0.000 1.199 611 G CA -0.552 44.562 45.100 0.022 0.000 1.683 611 G HN 0.554 nan 8.290 nan 0.000 0.625 612 M N -0.469 119.141 119.600 0.016 0.000 2.217 612 M HA -0.189 4.292 4.480 0.002 0.000 0.187 612 M C 0.567 176.896 176.300 0.048 0.000 0.642 612 M CA 0.843 56.145 55.300 0.003 0.000 0.450 612 M CB -1.263 31.327 32.600 -0.016 0.000 1.039 612 M HN 0.224 nan 8.290 nan 0.000 0.916 613 K N 0.696 121.123 120.400 0.045 0.000 2.379 613 K HA 0.129 4.450 4.320 0.002 0.000 0.284 613 K C -1.256 175.389 176.600 0.076 0.000 1.044 613 K CA -1.381 54.939 56.287 0.055 0.000 0.974 613 K CB 0.674 33.198 32.500 0.040 0.000 0.962 613 K HN -0.018 nan 8.250 nan 0.000 0.474 614 P HA -0.309 nan 4.420 nan 0.000 0.220 614 P C 1.043 178.412 177.300 0.114 0.000 0.849 614 P CA 1.994 65.155 63.100 0.102 0.000 1.048 614 P CB 0.042 31.779 31.700 0.062 0.000 0.727 615 G N -1.233 107.612 108.800 0.075 0.000 2.430 615 G HA2 -0.098 3.863 3.960 0.002 0.000 0.216 615 G HA3 -0.098 3.863 3.960 0.002 0.000 0.216 615 G C 0.509 175.451 174.900 0.071 0.000 1.146 615 G CA 0.303 45.443 45.100 0.066 0.000 0.793 615 G HN 0.387 nan 8.290 nan 0.000 0.537 616 E N -0.302 119.933 120.200 0.059 0.000 2.451 616 E HA 0.479 4.830 4.350 0.002 0.000 0.256 616 E C 0.035 176.667 176.600 0.054 0.000 1.294 616 E CA 0.384 56.811 56.400 0.046 0.000 1.005 616 E CB 0.563 30.282 29.700 0.032 0.000 0.990 616 E HN 0.367 nan 8.360 nan 0.000 0.505 617 A N -0.316 122.516 122.820 0.020 0.000 2.550 617 A HA 0.414 4.736 4.320 0.002 0.000 0.295 617 A C -0.637 176.914 177.584 -0.054 0.000 1.001 617 A CA -0.662 51.367 52.037 -0.013 0.000 0.660 617 A CB 0.280 19.293 19.000 0.021 0.000 1.308 617 A HN 0.538 nan 8.150 nan 0.000 0.426 618 I N -0.436 120.064 120.570 -0.115 0.000 3.746 618 I HA 0.321 4.493 4.170 0.002 0.000 0.262 618 I C -0.425 175.530 176.117 -0.270 0.000 1.153 618 I CA 0.318 61.503 61.300 -0.191 0.000 1.395 618 I CB 0.307 38.171 38.000 -0.228 0.000 1.589 618 I HN 0.833 nan 8.210 nan 0.000 0.441 619 E N 2.246 122.242 120.200 -0.339 0.000 7.527 619 E HA -0.099 4.253 4.350 0.002 0.000 0.372 619 E C -1.168 175.125 176.600 -0.512 0.000 0.613 619 E CA 0.098 56.309 56.400 -0.314 0.000 1.157 619 E CB -0.663 28.928 29.700 -0.182 0.000 0.937 619 E HN 0.385 nan 8.360 nan 0.000 0.262 620 H N 2.793 121.786 119.070 -0.129 0.000 2.823 620 H HA 0.158 4.715 4.556 0.002 0.000 0.332 620 H C -1.755 173.458 175.328 -0.192 0.000 0.980 620 H CA -1.882 54.099 56.048 -0.112 0.000 1.286 620 H CB 1.529 31.174 29.762 -0.196 0.000 1.541 620 H HN 0.277 nan 8.280 nan 0.000 0.521 621 P HA -0.165 nan 4.420 nan 0.000 0.218 621 P C 1.843 179.159 177.300 0.028 0.000 1.148 621 P CA 1.148 64.261 63.100 0.021 0.000 0.822 621 P CB 0.046 31.791 31.700 0.074 0.000 0.784 622 W N 0.798 122.131 121.300 0.054 0.000 2.392 622 W HA -0.075 4.586 4.660 0.002 0.000 0.279 622 W C 1.190 177.721 176.519 0.019 0.000 1.225 622 W CA 0.332 57.691 57.345 0.024 0.000 1.233 622 W CB -1.620 27.841 29.460 0.001 0.000 1.122 622 W HN -0.243 nan 8.180 nan 0.000 0.561 623 V N 2.282 121.525 119.914 -1.119 0.000 2.307 623 V HA -0.305 3.817 4.120 0.002 0.000 0.245 623 V C 2.617 178.496 176.094 -0.358 0.000 1.045 623 V CA 2.787 64.497 62.300 -0.983 0.000 1.024 623 V CB -1.505 29.792 31.823 -0.876 0.000 0.651 623 V HN 0.176 nan 8.190 nan 0.000 0.449 624 T N -0.040 114.375 114.554 -0.232 0.000 2.652 624 T HA -0.233 4.119 4.350 0.002 0.000 0.267 624 T C 1.939 176.613 174.700 -0.044 0.000 1.039 624 T CA 1.789 63.825 62.100 -0.106 0.000 1.153 624 T CB -0.254 68.572 68.868 -0.071 0.000 0.863 624 T HN 0.492 nan 8.240 nan 0.000 0.428 625 K N 1.072 121.470 120.400 -0.003 0.000 2.057 625 K HA 0.012 4.333 4.320 0.002 0.000 0.207 625 K C 2.649 179.300 176.600 0.085 0.000 1.049 625 K CA 1.199 57.516 56.287 0.051 0.000 0.931 625 K CB -0.287 32.270 32.500 0.096 0.000 0.714 625 K HN 0.287 nan 8.250 nan 0.000 0.440 626 A N 1.549 124.442 122.820 0.122 0.000 1.902 626 A HA -0.141 4.181 4.320 0.002 0.000 0.217 626 A C 2.149 179.872 177.584 0.232 0.000 1.181 626 A CA 1.257 53.424 52.037 0.217 0.000 0.623 626 A CB -0.550 18.627 19.000 0.293 0.000 0.818 626 A HN 0.163 nan 8.150 nan 0.000 0.443 627 I N -0.239 120.420 120.570 0.148 0.000 2.179 627 I HA -0.277 3.895 4.170 0.002 0.000 0.242 627 I C 2.976 179.099 176.117 0.010 0.000 1.088 627 I CA 1.084 62.459 61.300 0.125 0.000 1.357 627 I CB -0.304 37.731 38.000 0.059 0.000 1.051 627 I HN 0.348 nan 8.210 nan 0.000 0.409 628 A N 0.442 123.258 122.820 -0.005 0.000 1.940 628 A HA -0.277 4.045 4.320 0.002 0.000 0.219 628 A C 2.183 179.754 177.584 -0.022 0.000 1.176 628 A CA 2.158 54.177 52.037 -0.030 0.000 0.631 628 A CB -0.932 18.054 19.000 -0.023 0.000 0.814 628 A HN 0.550 nan 8.150 nan 0.000 0.446 629 N N -0.026 118.683 118.700 0.014 0.000 2.270 629 N HA -0.068 4.673 4.740 0.002 0.000 0.181 629 N C 1.906 177.410 175.510 -0.010 0.000 1.016 629 N CA 1.073 54.131 53.050 0.013 0.000 0.870 629 N CB -0.149 38.370 38.487 0.054 0.000 0.979 629 N HN 0.387 nan 8.380 nan 0.000 0.431 630 A N 1.149 123.956 122.820 -0.020 0.000 1.877 630 A HA -0.167 4.154 4.320 0.002 0.000 0.216 630 A C 2.124 179.616 177.584 -0.153 0.000 1.186 630 A CA 1.184 53.132 52.037 -0.148 0.000 0.620 630 A CB -0.657 18.069 19.000 -0.456 0.000 0.822 630 A HN 0.424 nan 8.150 nan 0.000 0.443 631 Q N -0.936 118.788 119.800 -0.127 0.000 2.135 631 Q HA -0.224 4.117 4.340 0.002 0.000 0.204 631 Q C 2.338 178.301 176.000 -0.061 0.000 0.981 631 Q CA 1.807 57.554 55.803 -0.092 0.000 0.856 631 Q CB -0.232 28.459 28.738 -0.078 0.000 0.902 631 Q HN 0.786 nan 8.270 nan 0.000 0.425 632 R N 1.074 121.536 120.500 -0.064 0.000 2.090 632 R HA -0.102 4.239 4.340 0.002 0.000 0.228 632 R C 1.711 177.960 176.300 -0.085 0.000 1.110 632 R CA 1.315 57.368 56.100 -0.079 0.000 0.973 632 R CB 0.029 30.267 30.300 -0.102 0.000 0.869 632 R HN 0.049 nan 8.270 nan 0.000 0.440 633 K N 0.396 120.756 120.400 -0.067 0.000 2.097 633 K HA -0.056 4.265 4.320 0.002 0.000 0.205 633 K C 2.041 178.627 176.600 -0.022 0.000 1.050 633 K CA 1.481 57.740 56.287 -0.046 0.000 0.938 633 K CB -0.006 32.473 32.500 -0.035 0.000 0.718 633 K HN 0.028 nan 8.250 nan 0.000 0.442 634 V N 1.546 121.441 119.914 -0.033 0.000 2.343 634 V HA -0.237 3.885 4.120 0.002 0.000 0.247 634 V C 2.330 178.449 176.094 0.042 0.000 1.051 634 V CA 1.976 64.270 62.300 -0.010 0.000 1.036 634 V CB -0.418 31.383 31.823 -0.037 0.000 0.654 634 V HN 0.328 nan 8.190 nan 0.000 0.451 635 E N 0.544 120.777 120.200 0.056 0.000 2.047 635 E HA -0.195 4.156 4.350 0.002 0.000 0.191 635 E C 2.446 179.200 176.600 0.256 0.000 0.987 635 E CA 1.746 58.229 56.400 0.138 0.000 0.799 635 E CB -0.552 29.228 29.700 0.134 0.000 0.752 635 E HN 0.489 nan 8.360 nan 0.000 0.449 636 S N -0.331 115.467 115.700 0.164 0.000 2.402 636 S HA -0.119 4.353 4.470 0.002 0.000 0.229 636 S C 2.081 176.820 174.600 0.231 0.000 1.021 636 S CA 1.058 59.390 58.200 0.220 0.000 0.974 636 S CB -0.286 62.878 63.200 -0.060 0.000 0.800 636 S HN 0.233 nan 8.310 nan 0.000 0.484 637 R N 1.087 121.665 120.500 0.130 0.000 2.066 637 R HA 0.002 4.343 4.340 0.002 0.000 0.232 637 R C 1.856 178.217 176.300 0.102 0.000 1.131 637 R CA 1.845 58.002 56.100 0.095 0.000 0.955 637 R CB -0.958 29.372 30.300 0.050 0.000 0.851 637 R HN 0.603 nan 8.270 nan 0.000 0.432 638 N N -0.371 118.399 118.700 0.117 0.000 2.272 638 N HA -0.196 4.546 4.740 0.002 0.000 0.185 638 N C 1.476 177.078 175.510 0.153 0.000 1.014 638 N CA 1.263 54.380 53.050 0.112 0.000 0.870 638 N CB -0.188 38.364 38.487 0.109 0.000 0.975 638 N HN 0.142 nan 8.380 nan 0.000 0.433 639 F N 1.841 121.839 119.950 0.080 0.000 2.335 639 F HA 0.012 4.541 4.527 0.002 0.000 0.296 639 F C 1.510 177.346 175.800 0.061 0.000 1.091 639 F CA 0.805 58.840 58.000 0.060 0.000 1.399 639 F CB -0.076 38.980 39.000 0.094 0.000 1.067 639 F HN -0.100 nan 8.300 nan 0.000 0.520 640 D N 0.888 121.271 120.400 -0.029 0.000 2.158 640 D HA -0.223 4.418 4.640 0.002 0.000 0.197 640 D C 2.394 178.607 176.300 -0.145 0.000 0.995 640 D CA 1.858 55.788 54.000 -0.117 0.000 0.846 640 D CB -0.376 40.426 40.800 0.004 0.000 0.941 640 D HN 0.365 nan 8.370 nan 0.000 0.456 641 I N 0.125 120.646 120.570 -0.083 0.000 2.233 641 I HA -0.174 3.997 4.170 0.002 0.000 0.243 641 I C 2.599 178.656 176.117 -0.099 0.000 1.093 641 I CA 0.607 61.870 61.300 -0.061 0.000 1.380 641 I CB -0.127 37.863 38.000 -0.017 0.000 1.067 641 I HN -0.125 nan 8.210 nan 0.000 0.413 642 R N 1.329 121.748 120.500 -0.134 0.000 2.091 642 R HA -0.199 4.142 4.340 0.002 0.000 0.238 642 R C 2.319 178.467 176.300 -0.254 0.000 1.136 642 R CA 1.593 57.599 56.100 -0.157 0.000 0.959 642 R CB -0.065 30.179 30.300 -0.095 0.000 0.856 642 R HN 0.219 nan 8.270 nan 0.000 0.437 643 K N -0.138 119.967 120.400 -0.491 0.000 2.074 643 K HA -0.222 4.100 4.320 0.002 0.000 0.209 643 K C 2.189 178.683 176.600 -0.177 0.000 1.048 643 K CA 1.583 57.619 56.287 -0.418 0.000 0.926 643 K CB -0.073 32.129 32.500 -0.497 0.000 0.713 643 K HN 0.265 nan 8.250 nan 0.000 0.444 644 Q N 0.647 120.376 119.800 -0.118 0.000 2.061 644 Q HA -0.136 4.205 4.340 0.002 0.000 0.204 644 Q C 2.298 178.353 176.000 0.091 0.000 0.984 644 Q CA 1.332 57.128 55.803 -0.011 0.000 0.846 644 Q CB -0.404 28.345 28.738 0.018 0.000 0.902 644 Q HN 0.385 nan 8.270 nan 0.000 0.421 645 L N 0.082 121.330 121.223 0.042 0.000 2.079 645 L HA -0.186 4.155 4.340 0.002 0.000 0.210 645 L C 2.391 179.309 176.870 0.080 0.000 1.081 645 L CA 0.832 55.711 54.840 0.065 0.000 0.752 645 L CB -0.514 41.527 42.059 -0.029 0.000 0.896 645 L HN 0.157 nan 8.230 nan 0.000 0.433 646 L N -0.729 120.499 121.223 0.008 0.000 2.291 646 L HA -0.125 4.216 4.340 0.002 0.000 0.214 646 L C 2.440 179.318 176.870 0.013 0.000 1.120 646 L CA 0.741 55.578 54.840 -0.005 0.000 0.799 646 L CB -0.336 41.691 42.059 -0.053 0.000 0.925 646 L HN 0.256 nan 8.230 nan 0.000 0.446 647 E N -0.608 119.598 120.200 0.010 0.000 2.110 647 E HA -0.229 4.122 4.350 0.002 0.000 0.193 647 E C 2.039 178.634 176.600 -0.008 0.000 0.988 647 E CA 1.334 57.722 56.400 -0.021 0.000 0.804 647 E CB -0.054 29.598 29.700 -0.080 0.000 0.745 647 E HN 0.464 nan 8.360 nan 0.000 0.458 648 Y N 1.135 121.423 120.300 -0.020 0.000 2.181 648 Y HA -0.198 4.353 4.550 0.002 0.000 0.288 648 Y C 2.057 177.961 175.900 0.006 0.000 1.146 648 Y CA 1.290 59.385 58.100 -0.009 0.000 1.164 648 Y CB -0.020 38.361 38.460 -0.133 0.000 0.982 648 Y HN 0.022 nan 8.280 nan 0.000 0.515 649 D N -0.242 120.236 120.400 0.131 0.000 2.178 649 D HA -0.153 4.489 4.640 0.002 0.000 0.201 649 D C 1.539 177.860 176.300 0.034 0.000 0.980 649 D CA 1.320 55.357 54.000 0.061 0.000 0.842 649 D CB -0.379 40.441 40.800 0.034 0.000 0.948 649 D HN 0.323 nan 8.370 nan 0.000 0.472 650 D N -0.241 120.176 120.400 0.029 0.000 2.178 650 D HA -0.092 4.549 4.640 0.002 0.000 0.201 650 D C 2.197 178.505 176.300 0.013 0.000 0.980 650 D CA 0.323 54.335 54.000 0.020 0.000 0.842 650 D CB -0.067 40.747 40.800 0.023 0.000 0.948 650 D HN 0.087 nan 8.370 nan 0.000 0.472 651 V N 1.362 121.260 119.914 -0.026 0.000 2.237 651 V HA -0.243 3.878 4.120 0.002 0.000 0.245 651 V C 2.570 178.511 176.094 -0.254 0.000 1.046 651 V CA 1.826 63.991 62.300 -0.225 0.000 1.007 651 V CB -1.012 30.634 31.823 -0.296 0.000 0.638 651 V HN 0.186 nan 8.190 nan 0.000 0.445 652 A N 0.744 123.505 122.820 -0.099 0.000 1.884 652 A HA -0.377 3.944 4.320 0.002 0.000 0.219 652 A C 2.083 179.652 177.584 -0.024 0.000 1.197 652 A CA 2.723 54.738 52.037 -0.037 0.000 0.637 652 A CB -1.119 17.889 19.000 0.012 0.000 0.827 652 A HN 0.615 nan 8.150 nan 0.000 0.450 653 N N -0.178 118.508 118.700 -0.023 0.000 2.192 653 N HA -0.163 4.578 4.740 0.002 0.000 0.188 653 N C 1.128 176.606 175.510 -0.052 0.000 1.013 653 N CA 1.989 55.023 53.050 -0.027 0.000 0.863 653 N CB -0.280 38.201 38.487 -0.011 0.000 0.990 653 N HN 0.477 nan 8.380 nan 0.000 0.430 654 D N -0.344 120.024 120.400 -0.054 0.000 2.162 654 D HA -0.023 4.618 4.640 0.002 0.000 0.205 654 D C 1.896 178.105 176.300 -0.152 0.000 0.964 654 D CA 0.655 54.638 54.000 -0.029 0.000 0.847 654 D CB -0.254 40.625 40.800 0.132 0.000 0.988 654 D HN 0.433 nan 8.370 nan 0.000 0.480 655 Q N 0.291 119.901 119.800 -0.318 0.000 2.096 655 Q HA -0.127 4.215 4.340 0.002 0.000 0.204 655 Q C 2.214 178.023 176.000 -0.318 0.000 0.982 655 Q CA 1.006 56.443 55.803 -0.609 0.000 0.850 655 Q CB 0.006 28.349 28.738 -0.660 0.000 0.901 655 Q HN 0.141 nan 8.270 nan 0.000 0.422 656 R N 0.718 121.104 120.500 -0.190 0.000 2.090 656 R HA -0.065 4.276 4.340 0.002 0.000 0.228 656 R C 2.189 178.216 176.300 -0.456 0.000 1.110 656 R CA 0.692 56.501 56.100 -0.484 0.000 0.973 656 R CB 0.060 30.213 30.300 -0.245 0.000 0.869 656 R HN 0.110 nan 8.270 nan 0.000 0.440 657 R N 0.370 120.746 120.500 -0.206 0.000 2.083 657 R HA -0.110 4.231 4.340 0.002 0.000 0.237 657 R C 2.113 178.381 176.300 -0.053 0.000 1.137 657 R CA 1.656 57.705 56.100 -0.085 0.000 0.951 657 R CB -0.520 29.757 30.300 -0.039 0.000 0.851 657 R HN 0.313 nan 8.270 nan 0.000 0.434 658 A N 0.630 123.419 122.820 -0.052 0.000 1.855 658 A HA -0.152 4.170 4.320 0.002 0.000 0.215 658 A C 2.156 179.749 177.584 0.015 0.000 1.191 658 A CA 1.156 53.217 52.037 0.040 0.000 0.613 658 A CB -0.514 18.589 19.000 0.171 0.000 0.829 658 A HN 0.240 nan 8.150 nan 0.000 0.442 659 I N -1.755 118.765 120.570 -0.082 0.000 2.394 659 I HA -0.177 3.995 4.170 0.002 0.000 0.251 659 I C 2.046 178.111 176.117 -0.086 0.000 1.136 659 I CA 1.173 62.368 61.300 -0.175 0.000 1.425 659 I CB -0.261 37.453 38.000 -0.477 0.000 1.079 659 I HN 0.404 nan 8.210 nan 0.000 0.425 660 Y N -0.600 119.527 120.300 -0.288 0.000 2.373 660 Y HA -0.070 4.482 4.550 0.003 0.000 0.293 660 Y C 2.889 178.706 175.900 -0.138 0.000 1.129 660 Y CA 0.879 58.848 58.100 -0.218 0.000 1.226 660 Y CB -1.216 37.158 38.460 -0.143 0.000 1.000 660 Y HN 0.195 nan 8.280 nan 0.000 0.549 661 S N -0.268 115.471 115.700 0.064 0.000 2.356 661 S HA -0.259 4.212 4.470 0.002 0.000 0.223 661 S C 2.142 176.732 174.600 -0.017 0.000 1.032 661 S CA 1.649 59.860 58.200 0.018 0.000 1.005 661 S CB -0.231 62.980 63.200 0.017 0.000 0.867 661 S HN 0.624 nan 8.310 nan 0.000 0.449 662 Q N 0.325 120.110 119.800 -0.025 0.000 2.124 662 Q HA -0.135 4.206 4.340 0.002 0.000 0.202 662 Q C 2.399 178.356 176.000 -0.072 0.000 0.977 662 Q CA 1.307 57.083 55.803 -0.046 0.000 0.850 662 Q CB -0.167 28.543 28.738 -0.046 0.000 0.901 662 Q HN 0.498 nan 8.270 nan 0.000 0.429 663 R N -0.157 120.290 120.500 -0.089 0.000 2.075 663 R HA -0.089 4.252 4.340 0.002 0.000 0.232 663 R C 1.666 177.872 176.300 -0.157 0.000 1.126 663 R CA 1.805 57.820 56.100 -0.142 0.000 0.963 663 R CB -0.055 30.130 30.300 -0.192 0.000 0.858 663 R HN 0.398 nan 8.270 nan 0.000 0.435 664 N N 0.006 118.624 118.700 -0.137 0.000 2.216 664 N HA -0.131 4.610 4.740 0.002 0.000 0.183 664 N C 1.391 176.845 175.510 -0.094 0.000 1.017 664 N CA 1.143 54.116 53.050 -0.128 0.000 0.861 664 N CB 0.088 38.507 38.487 -0.113 0.000 0.986 664 N HN 0.295 nan 8.380 nan 0.000 0.428 665 E N 0.924 121.080 120.200 -0.074 0.000 2.065 665 E HA -0.219 4.132 4.350 0.002 0.000 0.201 665 E C 1.862 178.420 176.600 -0.070 0.000 1.016 665 E CA 1.040 57.404 56.400 -0.061 0.000 0.818 665 E CB -0.197 29.473 29.700 -0.049 0.000 0.749 665 E HN 0.355 nan 8.360 nan 0.000 0.453 666 L N 0.242 121.414 121.223 -0.084 0.000 2.046 666 L HA -0.196 4.146 4.340 0.002 0.000 0.208 666 L C 2.551 179.362 176.870 -0.098 0.000 1.077 666 L CA 0.497 55.283 54.840 -0.090 0.000 0.747 666 L CB -0.346 41.651 42.059 -0.104 0.000 0.896 666 L HN 0.187 nan 8.230 nan 0.000 0.432 667 L N -0.170 120.983 121.223 -0.118 0.000 2.093 667 L HA -0.174 4.168 4.340 0.002 0.000 0.208 667 L C 1.675 178.497 176.870 -0.080 0.000 1.085 667 L CA 1.781 56.550 54.840 -0.118 0.000 0.755 667 L CB -0.590 41.373 42.059 -0.159 0.000 0.904 667 L HN 0.201 nan 8.230 nan 0.000 0.435 668 D N -1.059 119.297 120.400 -0.074 0.000 2.336 668 D HA 0.071 4.712 4.640 0.002 0.000 0.229 668 D C 0.109 176.382 176.300 -0.046 0.000 1.061 668 D CA 0.300 54.267 54.000 -0.054 0.000 0.875 668 D CB 0.311 41.081 40.800 -0.051 0.000 0.904 668 D HN 0.111 nan 8.370 nan 0.000 0.525 669 V N -0.217 119.665 119.914 -0.055 0.000 2.789 669 V HA 0.168 4.289 4.120 0.002 0.000 0.311 669 V C 0.931 176.978 176.094 -0.079 0.000 1.073 669 V CA -0.380 61.887 62.300 -0.055 0.000 0.921 669 V CB 2.268 34.060 31.823 -0.052 0.000 1.009 669 V HN -0.146 nan 8.190 nan 0.000 0.426 670 S N 2.938 118.589 115.700 -0.082 0.000 2.414 670 S HA 0.060 4.532 4.470 0.002 0.000 0.227 670 S C 0.374 174.853 174.600 -0.202 0.000 1.022 670 S CA 0.777 58.888 58.200 -0.150 0.000 0.958 670 S CB -0.017 63.139 63.200 -0.073 0.000 0.797 670 S HN 0.842 nan 8.310 nan 0.000 0.493 671 D N 0.383 120.717 120.400 -0.111 0.000 2.549 671 D HA 0.338 4.979 4.640 0.002 0.000 0.251 671 D C -0.367 175.896 176.300 -0.062 0.000 1.153 671 D CA -0.297 53.652 54.000 -0.085 0.000 0.861 671 D CB 1.867 42.638 40.800 -0.048 0.000 1.207 671 D HN -0.099 nan 8.370 nan 0.000 0.543 672 V N 2.934 122.814 119.914 -0.056 0.000 3.427 672 V HA 0.004 4.125 4.120 0.002 0.000 0.305 672 V C 1.934 178.011 176.094 -0.028 0.000 1.412 672 V CA 0.149 62.422 62.300 -0.046 0.000 1.086 672 V CB 0.379 32.169 31.823 -0.055 0.000 0.964 672 V HN 0.471 nan 8.190 nan 0.000 0.439 673 S N 0.584 116.276 115.700 -0.013 0.000 2.359 673 S HA -0.266 4.205 4.470 0.002 0.000 0.223 673 S C 1.879 176.469 174.600 -0.017 0.000 1.039 673 S CA 1.981 60.182 58.200 0.001 0.000 1.042 673 S CB -0.122 63.086 63.200 0.014 0.000 0.915 673 S HN 0.693 nan 8.310 nan 0.000 0.439 674 E N 0.497 120.685 120.200 -0.021 0.000 2.049 674 E HA -0.156 4.195 4.350 0.002 0.000 0.198 674 E C 2.290 178.870 176.600 -0.033 0.000 1.007 674 E CA 1.692 58.076 56.400 -0.026 0.000 0.809 674 E CB -0.391 29.294 29.700 -0.024 0.000 0.749 674 E HN 0.495 nan 8.360 nan 0.000 0.450 675 T N 1.858 116.392 114.554 -0.034 0.000 2.597 675 T HA -0.221 4.130 4.350 0.002 0.000 0.267 675 T C 1.891 176.565 174.700 -0.043 0.000 1.053 675 T CA 1.373 63.450 62.100 -0.037 0.000 1.165 675 T CB -0.261 68.583 68.868 -0.039 0.000 0.863 675 T HN 0.069 nan 8.240 nan 0.000 0.427 676 I N 2.299 122.841 120.570 -0.047 0.000 2.118 676 I HA -0.176 3.996 4.170 0.002 0.000 0.241 676 I C 2.269 178.333 176.117 -0.088 0.000 1.070 676 I CA 1.432 62.692 61.300 -0.067 0.000 1.327 676 I CB -1.438 36.523 38.000 -0.065 0.000 1.034 676 I HN 0.268 nan 8.210 nan 0.000 0.405 677 N N 0.273 118.928 118.700 -0.076 0.000 2.120 677 N HA -0.159 4.583 4.740 0.002 0.000 0.188 677 N C 2.076 177.535 175.510 -0.084 0.000 1.024 677 N CA 1.590 54.584 53.050 -0.094 0.000 0.852 677 N CB -0.416 38.030 38.487 -0.068 0.000 1.003 677 N HN 0.303 nan 8.380 nan 0.000 0.424 678 S N 1.297 116.962 115.700 -0.058 0.000 2.356 678 S HA -0.065 4.406 4.470 0.002 0.000 0.223 678 S C 2.008 176.585 174.600 -0.040 0.000 1.032 678 S CA 1.019 59.192 58.200 -0.045 0.000 1.005 678 S CB -0.252 62.928 63.200 -0.033 0.000 0.867 678 S HN 0.427 nan 8.310 nan 0.000 0.449 679 I N 0.066 120.614 120.570 -0.038 0.000 2.676 679 I HA 0.066 4.238 4.170 0.002 0.000 0.259 679 I C 2.276 178.383 176.117 -0.016 0.000 1.194 679 I CA 1.288 62.577 61.300 -0.018 0.000 1.473 679 I CB -0.336 37.657 38.000 -0.011 0.000 1.096 679 I HN 0.186 nan 8.210 nan 0.000 0.443 680 R N 1.246 121.703 120.500 -0.071 0.000 2.189 680 R HA -0.114 4.228 4.340 0.002 0.000 0.223 680 R C 1.891 178.154 176.300 -0.061 0.000 1.092 680 R CA 1.405 57.441 56.100 -0.106 0.000 0.989 680 R CB -0.141 29.982 30.300 -0.295 0.000 0.876 680 R HN 0.566 nan 8.270 nan 0.000 0.457 681 E N 0.361 120.524 120.200 -0.061 0.000 2.033 681 E HA -0.141 4.210 4.350 0.002 0.000 0.189 681 E C 1.436 178.071 176.600 0.058 0.000 0.979 681 E CA 1.160 57.548 56.400 -0.019 0.000 0.802 681 E CB -0.057 29.620 29.700 -0.037 0.000 0.763 681 E HN 0.363 nan 8.360 nan 0.000 0.449 682 D N 0.709 121.133 120.400 0.040 0.000 2.116 682 D HA -0.155 4.486 4.640 0.002 0.000 0.193 682 D C 2.056 178.417 176.300 0.101 0.000 0.998 682 D CA 0.930 54.962 54.000 0.054 0.000 0.836 682 D CB -0.314 40.506 40.800 0.035 0.000 0.951 682 D HN -0.001 nan 8.370 nan 0.000 0.449 683 V N -0.147 119.850 119.914 0.139 0.000 2.379 683 V HA -0.165 3.956 4.120 0.002 0.000 0.245 683 V C 2.114 178.337 176.094 0.214 0.000 1.044 683 V CA 1.163 63.589 62.300 0.210 0.000 1.036 683 V CB -0.494 31.462 31.823 0.221 0.000 0.664 683 V HN 0.122 nan 8.190 nan 0.000 0.453 684 F N 0.683 120.604 119.950 -0.049 0.000 2.146 684 F HA -0.158 4.371 4.527 0.003 0.000 0.298 684 F C 2.492 178.286 175.800 -0.011 0.000 1.096 684 F CA 2.029 59.982 58.000 -0.079 0.000 1.275 684 F CB -0.157 38.749 39.000 -0.156 0.000 1.008 684 F HN 0.049 nan 8.300 nan 0.000 0.480 685 K N 0.775 121.262 120.400 0.145 0.000 2.020 685 K HA -0.249 4.073 4.320 0.002 0.000 0.212 685 K C 2.076 178.698 176.600 0.036 0.000 1.050 685 K CA 1.827 58.155 56.287 0.069 0.000 0.929 685 K CB -0.436 32.094 32.500 0.050 0.000 0.714 685 K HN 0.185 nan 8.250 nan 0.000 0.443 686 A N 0.133 122.982 122.820 0.048 0.000 1.970 686 A HA -0.041 4.280 4.320 0.002 0.000 0.216 686 A C 2.131 179.728 177.584 0.022 0.000 1.170 686 A CA 1.728 53.780 52.037 0.025 0.000 0.645 686 A CB -0.698 18.326 19.000 0.041 0.000 0.816 686 A HN 0.509 nan 8.150 nan 0.000 0.447 687 T N 0.196 114.791 114.554 0.069 0.000 2.821 687 T HA -0.020 4.332 4.350 0.002 0.000 0.267 687 T C 1.727 176.499 174.700 0.120 0.000 1.046 687 T CA 1.420 63.589 62.100 0.115 0.000 1.139 687 T CB -0.289 68.692 68.868 0.188 0.000 0.871 687 T HN 0.422 nan 8.240 nan 0.000 0.454 688 I N 0.994 121.599 120.570 0.058 0.000 2.406 688 I HA -0.090 4.081 4.170 0.002 0.000 0.249 688 I C 2.212 178.334 176.117 0.008 0.000 1.122 688 I CA 0.749 62.089 61.300 0.066 0.000 1.431 688 I CB -0.281 37.710 38.000 -0.015 0.000 1.087 688 I HN 0.057 nan 8.210 nan 0.000 0.424 689 D N 1.551 121.926 120.400 -0.043 0.000 2.191 689 D HA -0.252 4.389 4.640 0.002 0.000 0.195 689 D C 2.093 178.312 176.300 -0.134 0.000 1.003 689 D CA 1.774 55.727 54.000 -0.078 0.000 0.867 689 D CB -0.166 40.598 40.800 -0.061 0.000 0.926 689 D HN 0.386 nan 8.370 nan 0.000 0.450 690 A N -1.272 121.409 122.820 -0.233 0.000 2.248 690 A HA -0.085 4.237 4.320 0.002 0.000 0.210 690 A C 0.953 178.101 177.584 -0.726 0.000 1.174 690 A CA 0.925 52.662 52.037 -0.500 0.000 0.750 690 A CB -0.284 18.306 19.000 -0.682 0.000 0.780 690 A HN 0.340 nan 8.150 nan 0.000 0.478 691 Y N -1.894 118.371 120.300 -0.058 0.000 2.965 691 Y HA 0.375 4.926 4.550 0.002 0.000 0.242 691 Y C 0.601 176.463 175.900 -0.064 0.000 1.078 691 Y CA -0.891 57.183 58.100 -0.043 0.000 1.288 691 Y CB 0.283 38.715 38.460 -0.046 0.000 1.459 691 Y HN -0.022 nan 8.280 nan 0.000 0.438 692 I N 5.120 125.668 120.570 -0.035 0.000 2.329 692 I HA 0.156 4.327 4.170 0.002 0.000 0.295 692 I C -2.531 173.486 176.117 -0.166 0.000 1.109 692 I CA -1.695 59.396 61.300 -0.348 0.000 1.297 692 I CB 0.443 38.002 38.000 -0.735 0.000 1.433 692 I HN -0.170 nan 8.210 nan 0.000 0.509 693 P HA 0.203 nan 4.420 nan 0.000 0.276 693 P C -2.411 174.900 177.300 0.018 0.000 1.253 693 P CA -1.624 61.478 63.100 0.003 0.000 0.766 693 P CB 0.016 31.748 31.700 0.052 0.000 0.845 694 P HA -0.131 nan 4.420 nan 0.000 0.261 694 P C 0.243 177.575 177.300 0.054 0.000 1.165 694 P CA 1.165 64.269 63.100 0.007 0.000 0.759 694 P CB -0.009 31.691 31.700 -0.001 0.000 0.772 695 Q N -1.183 118.667 119.800 0.083 0.000 2.374 695 Q HA -0.168 4.173 4.340 0.002 0.000 0.218 695 Q C 0.201 176.297 176.000 0.160 0.000 0.691 695 Q CA 1.014 56.880 55.803 0.106 0.000 1.340 695 Q CB -2.776 26.000 28.738 0.064 0.000 1.498 695 Q HN 0.451 nan 8.270 nan 0.000 0.739 696 S N 0.395 116.256 115.700 0.268 0.000 2.584 696 S HA 0.396 4.868 4.470 0.002 0.000 0.270 696 S C 0.636 175.418 174.600 0.303 0.000 1.346 696 S CA -0.562 57.838 58.200 0.334 0.000 1.018 696 S CB 0.435 63.939 63.200 0.507 0.000 0.899 696 S HN 0.217 nan 8.310 nan 0.000 0.542 697 L N 1.962 123.219 121.223 0.056 0.000 2.436 697 L HA 0.264 4.605 4.340 0.002 0.000 0.265 697 L C 1.599 178.096 176.870 -0.623 0.000 1.168 697 L CA 0.298 55.027 54.840 -0.186 0.000 0.815 697 L CB 0.017 41.996 42.059 -0.133 0.000 1.109 697 L HN 0.745 nan 8.230 nan 0.000 0.462 698 E N 0.307 119.923 120.200 -0.974 0.000 2.520 698 E HA -0.139 4.212 4.350 0.002 0.000 0.201 698 E C 0.186 176.327 176.600 -0.765 0.000 1.122 698 E CA 0.615 56.074 56.400 -1.567 0.000 0.896 698 E CB 0.275 29.324 29.700 -1.086 0.000 0.891 698 E HN 0.712 nan 8.360 nan 0.000 0.533 699 E N -0.859 119.070 120.200 -0.451 0.000 2.601 699 E HA 0.102 4.453 4.350 0.002 0.000 0.219 699 E C 0.635 177.204 176.600 -0.051 0.000 0.964 699 E CA -0.081 56.209 56.400 -0.183 0.000 1.050 699 E CB 0.499 30.119 29.700 -0.133 0.000 1.068 699 E HN 0.201 nan 8.360 nan 0.000 0.496 700 M N -0.066 119.532 119.600 -0.003 0.000 2.431 700 M HA 0.170 4.651 4.480 0.002 0.000 0.237 700 M C -0.749 175.786 176.300 0.391 0.000 1.130 700 M CA 0.128 55.530 55.300 0.170 0.000 1.002 700 M CB -0.337 32.363 32.600 0.166 0.000 1.524 700 M HN 0.055 nan 8.290 nan 0.000 0.482 701 W N 1.358 122.672 121.300 0.023 0.000 2.338 701 W HA 0.349 5.010 4.660 0.003 0.000 0.307 701 W C 0.009 176.552 176.519 0.040 0.000 1.167 701 W CA -1.450 55.918 57.345 0.039 0.000 1.208 701 W CB 0.047 29.521 29.460 0.023 0.000 1.228 701 W HN 0.056 nan 8.180 nan 0.000 0.499 702 D N 2.927 123.495 120.400 0.280 0.000 2.427 702 D HA 0.313 4.955 4.640 0.002 0.000 0.226 702 D C 0.422 176.760 176.300 0.064 0.000 1.076 702 D CA -0.280 53.828 54.000 0.179 0.000 0.849 702 D CB 0.767 41.706 40.800 0.233 0.000 1.052 702 D HN 0.179 nan 8.370 nan 0.000 0.515 703 I N 3.840 124.419 120.570 0.014 0.000 3.339 703 I HA 0.225 4.396 4.170 0.002 0.000 0.285 703 I C -1.121 174.918 176.117 -0.130 0.000 1.201 703 I CA -0.459 60.787 61.300 -0.091 0.000 1.434 703 I CB -1.126 36.837 38.000 -0.062 0.000 1.152 703 I HN 0.271 nan 8.210 nan 0.000 0.443 704 P HA -0.115 nan 4.420 nan 0.000 0.227 704 P C 1.382 178.630 177.300 -0.088 0.000 1.145 704 P CA 1.597 64.656 63.100 -0.068 0.000 0.769 704 P CB -0.181 31.503 31.700 -0.027 0.000 0.769 705 G N -1.964 106.746 108.800 -0.149 0.000 2.748 705 G HA2 -0.003 3.959 3.960 0.002 0.000 0.204 705 G HA3 -0.003 3.959 3.960 0.002 0.000 0.204 705 G C 1.087 175.547 174.900 -0.734 0.000 1.095 705 G CA 0.000 44.951 45.100 -0.249 0.000 0.775 705 G HN 0.156 nan 8.290 nan 0.000 0.531 706 L N 1.275 122.007 121.223 -0.818 0.000 2.022 706 L HA 0.034 4.376 4.340 0.002 0.000 0.204 706 L C 3.108 179.742 176.870 -0.394 0.000 1.076 706 L CA 2.359 56.697 54.840 -0.837 0.000 0.749 706 L CB -0.807 40.941 42.059 -0.518 0.000 0.903 706 L HN 0.407 nan 8.230 nan 0.000 0.439 707 Q N -0.969 118.673 119.800 -0.263 0.000 2.152 707 Q HA -0.244 4.097 4.340 0.002 0.000 0.206 707 Q C 1.601 177.530 176.000 -0.119 0.000 0.985 707 Q CA 1.676 57.379 55.803 -0.167 0.000 0.863 707 Q CB -0.812 27.823 28.738 -0.172 0.000 0.904 707 Q HN 0.542 nan 8.270 nan 0.000 0.422 708 E N 1.390 121.512 120.200 -0.131 0.000 2.058 708 E HA -0.198 4.154 4.350 0.002 0.000 0.194 708 E C 1.971 178.531 176.600 -0.068 0.000 0.997 708 E CA 1.447 57.797 56.400 -0.083 0.000 0.801 708 E CB -0.443 29.212 29.700 -0.075 0.000 0.746 708 E HN 0.288 nan 8.360 nan 0.000 0.450 709 R N 1.207 121.646 120.500 -0.102 0.000 2.119 709 R HA -0.132 4.210 4.340 0.002 0.000 0.246 709 R C 2.455 178.746 176.300 -0.016 0.000 1.146 709 R CA 1.266 57.339 56.100 -0.045 0.000 0.962 709 R CB -0.812 29.465 30.300 -0.038 0.000 0.863 709 R HN 0.216 nan 8.270 nan 0.000 0.442 710 L N 0.256 121.493 121.223 0.022 0.000 2.017 710 L HA -0.183 4.158 4.340 0.002 0.000 0.208 710 L C 2.194 179.133 176.870 0.114 0.000 1.073 710 L CA 1.941 56.874 54.840 0.155 0.000 0.745 710 L CB -0.454 41.663 42.059 0.096 0.000 0.894 710 L HN 0.236 nan 8.230 nan 0.000 0.432 711 K N -0.524 119.903 120.400 0.045 0.000 2.365 711 K HA -0.045 4.277 4.320 0.002 0.000 0.199 711 K C 1.433 178.041 176.600 0.012 0.000 1.045 711 K CA 0.658 56.971 56.287 0.043 0.000 0.962 711 K CB -0.146 32.368 32.500 0.023 0.000 0.759 711 K HN 0.333 nan 8.250 nan 0.000 0.469 712 N N 1.169 119.852 118.700 -0.028 0.000 2.349 712 N HA -0.050 4.692 4.740 0.002 0.000 0.180 712 N C 1.079 176.520 175.510 -0.114 0.000 1.024 712 N CA 1.011 54.029 53.050 -0.052 0.000 0.869 712 N CB 0.176 38.636 38.487 -0.045 0.000 1.022 712 N HN 0.168 nan 8.380 nan 0.000 0.433 713 D N -0.835 119.405 120.400 -0.267 0.000 2.355 713 D HA 0.098 4.739 4.640 0.002 0.000 0.206 713 D C 0.479 176.348 176.300 -0.719 0.000 1.010 713 D CA 0.449 54.112 54.000 -0.563 0.000 0.875 713 D CB 0.282 40.546 40.800 -0.892 0.000 0.966 713 D HN 0.194 nan 8.370 nan 0.000 0.512 714 F N 0.372 120.314 119.950 -0.013 0.000 2.798 714 F HA 0.152 4.680 4.527 0.002 0.000 0.328 714 F C 0.041 175.871 175.800 0.051 0.000 1.098 714 F CA -0.615 57.392 58.000 0.012 0.000 1.172 714 F CB 0.373 39.392 39.000 0.032 0.000 1.072 714 F HN -0.333 nan 8.300 nan 0.000 0.555 715 D N 1.277 121.778 120.400 0.168 0.000 2.751 715 D HA -0.188 4.453 4.640 0.002 0.000 0.233 715 D C -0.469 175.928 176.300 0.162 0.000 1.149 715 D CA 0.622 54.702 54.000 0.134 0.000 0.682 715 D CB -1.135 39.734 40.800 0.116 0.000 1.068 715 D HN 0.141 nan 8.370 nan 0.000 0.429 716 L N 1.261 122.602 121.223 0.195 0.000 2.408 716 L HA 0.293 4.634 4.340 0.002 0.000 0.257 716 L C -0.635 176.330 176.870 0.159 0.000 1.053 716 L CA -0.629 54.329 54.840 0.198 0.000 0.922 716 L CB 1.379 43.594 42.059 0.261 0.000 1.261 716 L HN -0.124 nan 8.230 nan 0.000 0.458 717 D N 4.180 124.660 120.400 0.134 0.000 2.441 717 D HA 0.291 4.932 4.640 0.002 0.000 0.221 717 D C -1.108 175.289 176.300 0.161 0.000 1.156 717 D CA -0.171 53.893 54.000 0.106 0.000 0.896 717 D CB 0.542 41.392 40.800 0.083 0.000 1.028 717 D HN 0.164 nan 8.370 nan 0.000 0.509 718 L N 6.131 127.439 121.223 0.142 0.000 2.337 718 L HA 0.374 4.716 4.340 0.002 0.000 0.269 718 L C -2.054 174.627 176.870 -0.315 0.000 1.018 718 L CA -2.324 52.674 54.840 0.263 0.000 0.876 718 L CB 1.398 43.712 42.059 0.424 0.000 1.236 718 L HN 0.208 nan 8.230 nan 0.000 0.436 719 P HA 0.012 nan 4.420 nan 0.000 0.213 719 P C 1.145 177.407 177.300 -1.730 0.000 1.492 719 P CA 0.443 63.059 63.100 -0.806 0.000 1.034 719 P CB -0.145 31.352 31.700 -0.339 0.000 1.816 720 I N 0.775 120.487 120.570 -1.430 0.000 2.264 720 I HA -0.318 3.853 4.170 0.002 0.000 0.248 720 I C 2.359 178.024 176.117 -0.753 0.000 1.111 720 I CA 1.772 62.203 61.300 -1.449 0.000 1.382 720 I CB -0.911 36.764 38.000 -0.541 0.000 1.060 720 I HN 0.168 nan 8.210 nan 0.000 0.418 721 A N 1.167 123.725 122.820 -0.436 0.000 1.892 721 A HA -0.307 4.015 4.320 0.002 0.000 0.218 721 A C 2.274 179.784 177.584 -0.124 0.000 1.188 721 A CA 2.356 54.281 52.037 -0.187 0.000 0.631 721 A CB -0.944 17.977 19.000 -0.131 0.000 0.822 721 A HN 0.668 nan 8.150 nan 0.000 0.447 722 E N -0.976 119.124 120.200 -0.168 0.000 2.358 722 E HA -0.143 4.208 4.350 0.002 0.000 0.195 722 E C 1.741 178.488 176.600 0.245 0.000 1.010 722 E CA 0.627 57.044 56.400 0.028 0.000 0.856 722 E CB -0.531 29.197 29.700 0.046 0.000 0.795 722 E HN 0.877 nan 8.360 nan 0.000 0.504 723 W N 1.416 122.740 121.300 0.041 0.000 2.348 723 W HA -0.063 4.598 4.660 0.002 0.000 0.324 723 W C 1.981 178.531 176.519 0.052 0.000 1.209 723 W CA -0.242 57.130 57.345 0.046 0.000 1.275 723 W CB -0.526 28.966 29.460 0.054 0.000 1.175 723 W HN -0.042 nan 8.180 nan 0.000 0.461 724 L N 1.100 122.463 121.223 0.234 0.000 2.351 724 L HA -0.224 4.118 4.340 0.002 0.000 0.220 724 L C 1.263 178.195 176.870 0.104 0.000 1.127 724 L CA 1.550 56.487 54.840 0.162 0.000 0.786 724 L CB -1.162 40.972 42.059 0.124 0.000 0.914 724 L HN 0.125 nan 8.230 nan 0.000 0.443 725 D N -0.401 120.052 120.400 0.089 0.000 2.264 725 D HA -0.130 4.512 4.640 0.002 0.000 0.208 725 D C 2.240 178.583 176.300 0.072 0.000 0.966 725 D CA 0.800 54.838 54.000 0.064 0.000 0.864 725 D CB 0.291 41.124 40.800 0.055 0.000 0.933 725 D HN 0.156 nan 8.370 nan 0.000 0.499 726 K N 0.344 120.806 120.400 0.103 0.000 2.190 726 K HA 0.027 4.348 4.320 0.002 0.000 0.202 726 K C 0.626 177.278 176.600 0.085 0.000 1.045 726 K CA 0.557 56.900 56.287 0.092 0.000 0.976 726 K CB 0.256 32.822 32.500 0.111 0.000 0.849 726 K HN 0.192 nan 8.250 nan 0.000 0.468 727 E N 2.846 123.113 120.200 0.111 0.000 2.400 727 E HA 0.191 4.543 4.350 0.002 0.000 0.232 727 E C -2.664 174.002 176.600 0.110 0.000 0.988 727 E CA -2.199 54.261 56.400 0.101 0.000 0.823 727 E CB 0.932 30.693 29.700 0.103 0.000 1.246 727 E HN -0.056 nan 8.360 nan 0.000 0.441 728 P HA 0.188 nan 4.420 nan 0.000 0.262 728 P C -0.366 176.988 177.300 0.091 0.000 1.620 728 P CA -0.029 63.115 63.100 0.073 0.000 1.089 728 P CB 0.158 31.880 31.700 0.037 0.000 1.601 729 E N 1.620 121.911 120.200 0.152 0.000 1.143 729 E HA -0.127 4.225 4.350 0.002 0.000 0.207 729 E C 1.299 177.993 176.600 0.157 0.000 1.025 729 E CA -0.216 56.272 56.400 0.147 0.000 0.914 729 E CB -1.548 28.187 29.700 0.058 0.000 4.858 729 E HN 0.202 nan 8.360 nan 0.000 0.607 730 L N 0.888 122.231 121.223 0.200 0.000 1.970 730 L HA 0.164 4.505 4.340 0.002 0.000 0.212 730 L C 0.403 177.440 176.870 0.278 0.000 1.071 730 L CA 1.892 56.835 54.840 0.173 0.000 0.751 730 L CB -0.907 41.263 42.059 0.186 0.000 0.889 730 L HN 0.347 nan 8.230 nan 0.000 0.432 731 H N -1.005 118.164 119.070 0.164 0.000 5.019 731 H HA -0.138 4.420 4.556 0.002 0.000 0.412 731 H C 0.447 175.907 175.328 0.220 0.000 0.897 731 H CA 0.263 56.429 56.048 0.196 0.000 0.890 731 H CB -0.415 29.423 29.762 0.128 0.000 1.836 731 H HN 0.469 nan 8.280 nan 0.000 0.383 732 E N 1.685 122.105 120.200 0.366 0.000 2.164 732 E HA -0.296 4.055 4.350 0.002 0.000 0.206 732 E C 1.489 178.124 176.600 0.059 0.000 1.032 732 E CA 1.971 58.459 56.400 0.147 0.000 0.832 732 E CB 0.120 29.881 29.700 0.103 0.000 0.742 732 E HN 0.500 nan 8.360 nan 0.000 0.460 733 E N -0.741 119.522 120.200 0.106 0.000 2.170 733 E HA -0.078 4.273 4.350 0.002 0.000 0.191 733 E C 2.099 178.741 176.600 0.069 0.000 0.981 733 E CA 1.430 57.870 56.400 0.067 0.000 0.830 733 E CB 0.097 29.839 29.700 0.070 0.000 0.775 733 E HN 0.420 nan 8.360 nan 0.000 0.470 734 T N -0.795 113.817 114.554 0.098 0.000 3.113 734 T HA -0.054 4.298 4.350 0.002 0.000 0.256 734 T C 1.933 176.689 174.700 0.094 0.000 1.131 734 T CA 0.578 62.727 62.100 0.080 0.000 1.074 734 T CB -0.119 68.792 68.868 0.071 0.000 0.944 734 T HN 0.095 nan 8.240 nan 0.000 0.516 735 L N -0.015 121.278 121.223 0.116 0.000 2.209 735 L HA 0.427 4.768 4.340 0.002 0.000 0.207 735 L C 2.455 179.378 176.870 0.089 0.000 1.094 735 L CA 0.916 55.832 54.840 0.127 0.000 0.790 735 L CB -0.731 41.420 42.059 0.153 0.000 0.932 735 L HN -0.019 nan 8.230 nan 0.000 0.447 736 R N 0.255 120.784 120.500 0.047 0.000 2.075 736 R HA -0.096 4.246 4.340 0.002 0.000 0.232 736 R C 2.239 178.577 176.300 0.064 0.000 1.126 736 R CA 1.729 57.856 56.100 0.046 0.000 0.963 736 R CB -0.369 29.943 30.300 0.020 0.000 0.858 736 R HN 0.552 nan 8.270 nan 0.000 0.435 737 E N 0.275 120.503 120.200 0.046 0.000 2.038 737 E HA -0.215 4.136 4.350 0.002 0.000 0.195 737 E C 2.098 178.715 176.600 0.028 0.000 1.000 737 E CA 1.320 57.736 56.400 0.026 0.000 0.803 737 E CB -0.019 29.694 29.700 0.021 0.000 0.750 737 E HN 0.258 nan 8.360 nan 0.000 0.448 738 R N 0.191 120.722 120.500 0.052 0.000 2.115 738 R HA -0.083 4.258 4.340 0.002 0.000 0.230 738 R C 2.353 178.707 176.300 0.090 0.000 1.111 738 R CA 0.806 56.937 56.100 0.051 0.000 0.976 738 R CB -0.217 30.118 30.300 0.058 0.000 0.870 738 R HN 0.209 nan 8.270 nan 0.000 0.445 739 I N 0.404 121.056 120.570 0.136 0.000 2.113 739 I HA -0.301 3.870 4.170 0.002 0.000 0.238 739 I C 2.186 178.403 176.117 0.167 0.000 1.070 739 I CA 0.867 62.289 61.300 0.202 0.000 1.332 739 I CB -0.291 37.847 38.000 0.230 0.000 1.044 739 I HN 0.119 nan 8.210 nan 0.000 0.402 740 L N 1.192 122.458 121.223 0.070 0.000 1.929 740 L HA -0.305 4.036 4.340 0.002 0.000 0.229 740 L C 2.565 179.305 176.870 -0.218 0.000 1.086 740 L CA 2.419 57.129 54.840 -0.218 0.000 0.798 740 L CB -1.224 40.746 42.059 -0.149 0.000 0.898 740 L HN 0.346 nan 8.230 nan 0.000 0.436 741 A N -1.267 121.483 122.820 -0.116 0.000 1.698 741 A HA -0.469 3.852 4.320 0.002 0.000 0.304 741 A C 2.093 179.644 177.584 -0.055 0.000 3.354 741 A CA 2.985 54.979 52.037 -0.071 0.000 0.884 741 A CB -1.427 17.552 19.000 -0.035 0.000 0.798 741 A HN 0.780 nan 8.150 nan 0.000 0.543 742 Q N -0.740 119.048 119.800 -0.021 0.000 2.077 742 Q HA -0.201 4.140 4.340 0.002 0.000 0.206 742 Q C 2.687 178.690 176.000 0.004 0.000 0.989 742 Q CA 2.367 58.177 55.803 0.012 0.000 0.853 742 Q CB -0.821 27.963 28.738 0.077 0.000 0.907 742 Q HN 1.008 nan 8.270 nan 0.000 0.418 743 S N 0.869 116.539 115.700 -0.049 0.000 2.368 743 S HA -0.108 4.363 4.470 0.002 0.000 0.225 743 S C 2.079 176.648 174.600 -0.051 0.000 1.030 743 S CA 1.034 59.193 58.200 -0.070 0.000 0.999 743 S CB -0.450 62.570 63.200 -0.301 0.000 0.844 743 S HN 0.254 nan 8.310 nan 0.000 0.459 744 I N 3.669 124.176 120.570 -0.105 0.000 2.151 744 I HA -0.241 3.931 4.170 0.002 0.000 0.243 744 I C 2.919 179.067 176.117 0.051 0.000 1.080 744 I CA 2.180 63.468 61.300 -0.019 0.000 1.339 744 I CB -1.932 36.029 38.000 -0.065 0.000 1.039 744 I HN 0.672 nan 8.210 nan 0.000 0.409 745 E N 2.140 122.348 120.200 0.015 0.000 2.038 745 E HA -0.185 4.166 4.350 0.002 0.000 0.195 745 E C 2.081 178.702 176.600 0.035 0.000 1.000 745 E CA 2.218 58.627 56.400 0.015 0.000 0.803 745 E CB -0.544 29.155 29.700 -0.002 0.000 0.750 745 E HN 0.305 nan 8.360 nan 0.000 0.448 746 V N -0.017 119.933 119.914 0.060 0.000 2.759 746 V HA -0.202 3.919 4.120 0.002 0.000 0.256 746 V C 2.135 178.291 176.094 0.104 0.000 1.080 746 V CA 1.815 64.160 62.300 0.074 0.000 1.101 746 V CB -0.923 30.957 31.823 0.095 0.000 0.698 746 V HN 0.364 nan 8.190 nan 0.000 0.477 747 Y N 0.566 120.861 120.300 -0.009 0.000 2.397 747 Y HA -0.074 4.477 4.550 0.002 0.000 0.292 747 Y C 2.650 178.545 175.900 -0.008 0.000 1.115 747 Y CA 1.208 59.306 58.100 -0.004 0.000 1.208 747 Y CB 0.146 38.598 38.460 -0.014 0.000 1.046 747 Y HN 0.207 nan 8.280 nan 0.000 0.552 748 Q N -0.194 119.584 119.800 -0.037 0.000 2.119 748 Q HA -0.194 4.148 4.340 0.002 0.000 0.201 748 Q C 2.110 178.037 176.000 -0.123 0.000 0.972 748 Q CA 1.388 57.129 55.803 -0.104 0.000 0.847 748 Q CB -0.053 28.669 28.738 -0.026 0.000 0.903 748 Q HN 0.319 nan 8.270 nan 0.000 0.433 749 R N 0.969 121.422 120.500 -0.079 0.000 2.083 749 R HA -0.097 4.244 4.340 0.002 0.000 0.237 749 R C 2.054 178.290 176.300 -0.107 0.000 1.137 749 R CA 1.405 57.462 56.100 -0.071 0.000 0.951 749 R CB -0.123 30.156 30.300 -0.035 0.000 0.851 749 R HN 0.115 nan 8.270 nan 0.000 0.434 750 K N 0.048 120.364 120.400 -0.139 0.000 2.113 750 K HA -0.242 4.079 4.320 0.002 0.000 0.208 750 K C 2.054 178.518 176.600 -0.227 0.000 1.047 750 K CA 1.714 57.899 56.287 -0.170 0.000 0.928 750 K CB -0.078 32.324 32.500 -0.162 0.000 0.716 750 K HN 0.350 nan 8.250 nan 0.000 0.446 751 E N 1.410 121.430 120.200 -0.301 0.000 2.046 751 E HA -0.181 4.171 4.350 0.002 0.000 0.190 751 E C 1.903 178.417 176.600 -0.144 0.000 0.982 751 E CA 1.011 57.260 56.400 -0.251 0.000 0.800 751 E CB 0.104 29.627 29.700 -0.294 0.000 0.756 751 E HN 0.347 nan 8.360 nan 0.000 0.449 752 E N 0.328 120.459 120.200 -0.115 0.000 2.401 752 E HA -0.128 4.223 4.350 0.002 0.000 0.199 752 E C 1.822 178.380 176.600 -0.070 0.000 1.023 752 E CA 0.946 57.300 56.400 -0.076 0.000 0.859 752 E CB 0.184 29.848 29.700 -0.060 0.000 0.780 752 E HN 0.200 nan 8.360 nan 0.000 0.523 753 V N 0.716 120.580 119.914 -0.083 0.000 2.725 753 V HA -0.096 4.026 4.120 0.002 0.000 0.247 753 V C 2.136 178.182 176.094 -0.079 0.000 1.058 753 V CA 0.739 62.995 62.300 -0.073 0.000 1.080 753 V CB 0.666 32.445 31.823 -0.073 0.000 0.713 753 V HN 0.167 nan 8.190 nan 0.000 0.465 754 V N -0.385 119.469 119.914 -0.101 0.000 2.825 754 V HA 0.463 4.585 4.120 0.002 0.000 0.246 754 V C 0.991 177.043 176.094 -0.070 0.000 1.068 754 V CA 1.223 63.462 62.300 -0.101 0.000 1.088 754 V CB -0.030 31.703 31.823 -0.150 0.000 0.733 754 V HN 0.708 nan 8.190 nan 0.000 0.468 755 G N -0.923 107.839 108.800 -0.062 0.000 3.067 755 G HA2 0.184 4.146 3.960 0.002 0.000 0.686 755 G HA3 0.184 4.146 3.960 0.002 0.000 0.686 755 G C 0.352 175.239 174.900 -0.022 0.000 1.119 755 G CA -0.190 44.889 45.100 -0.035 0.000 0.790 755 G HN 0.540 nan 8.290 nan 0.000 0.605 756 A N 1.407 124.221 122.820 -0.009 0.000 1.851 756 A HA 0.012 4.333 4.320 0.002 0.000 0.216 756 A C 2.185 179.804 177.584 0.057 0.000 1.195 756 A CA 2.304 54.348 52.037 0.011 0.000 0.622 756 A CB -0.411 18.594 19.000 0.008 0.000 0.831 756 A HN 0.824 nan 8.150 nan 0.000 0.444 757 E N -0.823 119.421 120.200 0.074 0.000 2.070 757 E HA -0.219 4.132 4.350 0.002 0.000 0.197 757 E C 2.112 178.849 176.600 0.229 0.000 1.004 757 E CA 1.332 57.826 56.400 0.157 0.000 0.805 757 E CB -0.434 29.333 29.700 0.111 0.000 0.744 757 E HN 0.460 nan 8.360 nan 0.000 0.451 758 M N 0.055 119.726 119.600 0.118 0.000 2.073 758 M HA -0.198 4.283 4.480 0.002 0.000 0.258 758 M C 2.353 178.754 176.300 0.168 0.000 1.070 758 M CA 1.458 56.824 55.300 0.109 0.000 1.103 758 M CB -0.922 31.692 32.600 0.023 0.000 1.321 758 M HN 0.136 nan 8.290 nan 0.000 0.405 759 M N 0.038 119.704 119.600 0.110 0.000 2.086 759 M HA -0.164 4.317 4.480 0.002 0.000 0.261 759 M C 2.016 178.450 176.300 0.223 0.000 1.067 759 M CA 1.742 57.127 55.300 0.141 0.000 1.116 759 M CB -0.407 32.209 32.600 0.026 0.000 1.348 759 M HN 0.071 nan 8.290 nan 0.000 0.407 760 R N -0.564 120.027 120.500 0.153 0.000 2.096 760 R HA -0.160 4.181 4.340 0.002 0.000 0.240 760 R C 2.280 178.609 176.300 0.049 0.000 1.139 760 R CA 1.856 58.002 56.100 0.076 0.000 0.952 760 R CB -1.665 28.630 30.300 -0.008 0.000 0.854 760 R HN 0.637 nan 8.270 nan 0.000 0.436 761 H N -1.115 118.027 119.070 0.120 0.000 2.470 761 H HA -0.050 4.507 4.556 0.001 0.000 0.289 761 H C 1.884 177.313 175.328 0.168 0.000 1.033 761 H CA 0.896 57.015 56.048 0.118 0.000 1.331 761 H CB -0.189 29.632 29.762 0.097 0.000 1.414 761 H HN 0.123 nan 8.280 nan 0.000 0.545 762 F N 2.441 122.487 119.950 0.159 0.000 2.186 762 F HA -0.126 4.402 4.527 0.001 0.000 0.299 762 F C 2.120 177.988 175.800 0.113 0.000 1.090 762 F CA 1.199 59.271 58.000 0.121 0.000 1.307 762 F CB 0.003 39.062 39.000 0.098 0.000 1.019 762 F HN 0.012 nan 8.300 nan 0.000 0.489 763 E N 0.261 120.521 120.200 0.100 0.000 2.077 763 E HA -0.254 4.097 4.350 0.002 0.000 0.193 763 E C 2.169 178.724 176.600 -0.076 0.000 0.989 763 E CA 1.424 57.809 56.400 -0.026 0.000 0.800 763 E CB -0.234 29.518 29.700 0.086 0.000 0.746 763 E HN 0.405 nan 8.360 nan 0.000 0.452 764 K N 0.557 120.936 120.400 -0.035 0.000 2.026 764 K HA -0.129 4.192 4.320 0.002 0.000 0.208 764 K C 2.239 178.835 176.600 -0.007 0.000 1.048 764 K CA 1.484 57.748 56.287 -0.038 0.000 0.929 764 K CB -0.346 32.124 32.500 -0.050 0.000 0.713 764 K HN 0.155 nan 8.250 nan 0.000 0.439 765 G N 0.784 109.610 108.800 0.043 0.000 2.476 765 G HA2 -0.258 3.703 3.960 0.002 0.000 0.218 765 G HA3 -0.258 3.703 3.960 0.002 0.000 0.218 765 G C 1.505 176.409 174.900 0.007 0.000 1.164 765 G CA 1.153 46.322 45.100 0.115 0.000 0.768 765 G HN 0.233 nan 8.290 nan 0.000 0.560 766 V N 0.916 120.691 119.914 -0.231 0.000 2.407 766 V HA -0.172 3.949 4.120 0.002 0.000 0.248 766 V C 2.923 178.970 176.094 -0.078 0.000 1.055 766 V CA 1.980 64.139 62.300 -0.236 0.000 1.049 766 V CB -0.302 31.262 31.823 -0.432 0.000 0.662 766 V HN 0.389 nan 8.190 nan 0.000 0.455 767 M N -1.146 118.411 119.600 -0.070 0.000 2.156 767 M HA -0.108 4.373 4.480 0.002 0.000 0.264 767 M C 2.194 178.473 176.300 -0.036 0.000 1.067 767 M CA 1.801 57.072 55.300 -0.048 0.000 1.131 767 M CB -0.416 32.148 32.600 -0.060 0.000 1.368 767 M HN 0.279 nan 8.290 nan 0.000 0.416 768 L N -0.273 120.924 121.223 -0.044 0.000 2.005 768 L HA -0.232 4.110 4.340 0.002 0.000 0.207 768 L C 2.671 179.550 176.870 0.015 0.000 1.072 768 L CA 1.459 56.220 54.840 -0.132 0.000 0.744 768 L CB -0.768 41.037 42.059 -0.424 0.000 0.895 768 L HN 0.390 nan 8.230 nan 0.000 0.433 769 Q N -0.409 119.522 119.800 0.219 0.000 2.112 769 Q HA -0.221 4.120 4.340 0.002 0.000 0.206 769 Q C 2.102 178.187 176.000 0.142 0.000 0.987 769 Q CA 2.441 58.402 55.803 0.264 0.000 0.858 769 Q CB -0.048 28.812 28.738 0.205 0.000 0.905 769 Q HN 0.531 nan 8.270 nan 0.000 0.420 770 T N 1.328 115.933 114.554 0.085 0.000 2.821 770 T HA -0.141 4.210 4.350 0.002 0.000 0.267 770 T C 1.759 176.514 174.700 0.091 0.000 1.046 770 T CA 1.016 63.161 62.100 0.075 0.000 1.139 770 T CB -0.203 68.693 68.868 0.047 0.000 0.871 770 T HN 0.283 nan 8.240 nan 0.000 0.454 771 L N 0.840 122.106 121.223 0.073 0.000 2.109 771 L HA -0.087 4.255 4.340 0.002 0.000 0.207 771 L C 2.000 178.973 176.870 0.172 0.000 1.086 771 L CA 1.515 56.407 54.840 0.087 0.000 0.760 771 L CB -0.319 41.749 42.059 0.016 0.000 0.910 771 L HN 0.053 nan 8.230 nan 0.000 0.437 772 D N -0.343 120.151 120.400 0.157 0.000 2.104 772 D HA -0.173 4.468 4.640 0.002 0.000 0.194 772 D C 2.340 178.786 176.300 0.245 0.000 0.994 772 D CA 1.629 55.766 54.000 0.228 0.000 0.830 772 D CB -0.149 40.772 40.800 0.202 0.000 0.959 772 D HN 0.307 nan 8.370 nan 0.000 0.452 773 S N 0.369 116.181 115.700 0.186 0.000 2.353 773 S HA -0.099 4.373 4.470 0.002 0.000 0.222 773 S C 2.243 176.940 174.600 0.162 0.000 1.035 773 S CA 0.670 58.962 58.200 0.154 0.000 1.025 773 S CB -0.375 62.898 63.200 0.122 0.000 0.902 773 S HN 0.219 nan 8.310 nan 0.000 0.440 774 L N 0.336 121.664 121.223 0.175 0.000 2.083 774 L HA -0.119 4.223 4.340 0.002 0.000 0.209 774 L C 2.353 179.384 176.870 0.269 0.000 1.083 774 L CA 1.199 56.148 54.840 0.182 0.000 0.752 774 L CB -0.435 41.717 42.059 0.155 0.000 0.899 774 L HN 0.548 nan 8.230 nan 0.000 0.433 775 W N 1.612 122.977 121.300 0.108 0.000 2.358 775 W HA -0.237 4.425 4.660 0.003 0.000 0.303 775 W C 2.230 178.843 176.519 0.157 0.000 1.208 775 W CA 1.397 58.831 57.345 0.147 0.000 1.274 775 W CB 0.070 29.619 29.460 0.149 0.000 1.138 775 W HN 0.102 nan 8.180 nan 0.000 0.515 776 K N 0.220 120.655 120.400 0.059 0.000 2.103 776 K HA -0.189 4.132 4.320 0.002 0.000 0.204 776 K C 1.979 178.514 176.600 -0.108 0.000 1.052 776 K CA 1.328 57.560 56.287 -0.092 0.000 0.945 776 K CB -0.407 32.114 32.500 0.034 0.000 0.722 776 K HN 0.164 nan 8.250 nan 0.000 0.443 777 E N 0.282 120.477 120.200 -0.007 0.000 2.058 777 E HA -0.279 4.072 4.350 0.002 0.000 0.194 777 E C 1.980 178.551 176.600 -0.048 0.000 0.997 777 E CA 1.501 57.901 56.400 -0.000 0.000 0.801 777 E CB -0.019 29.722 29.700 0.069 0.000 0.746 777 E HN 0.322 nan 8.360 nan 0.000 0.450 778 H N -0.259 118.731 119.070 -0.133 0.000 2.321 778 H HA -0.120 4.437 4.556 0.002 0.000 0.300 778 H C 1.940 177.069 175.328 -0.330 0.000 1.087 778 H CA 1.511 57.454 56.048 -0.174 0.000 1.319 778 H CB -0.192 29.516 29.762 -0.091 0.000 1.379 778 H HN 0.118 nan 8.280 nan 0.000 0.501 779 L N 0.597 121.469 121.223 -0.585 0.000 2.013 779 L HA -0.157 4.184 4.340 0.002 0.000 0.212 779 L C 2.674 179.274 176.870 -0.450 0.000 1.073 779 L CA 2.026 56.501 54.840 -0.607 0.000 0.753 779 L CB -1.583 40.099 42.059 -0.629 0.000 0.890 779 L HN 0.507 nan 8.230 nan 0.000 0.432 780 A N -1.182 121.406 122.820 -0.385 0.000 1.902 780 A HA -0.122 4.199 4.320 0.002 0.000 0.217 780 A C 2.434 179.724 177.584 -0.489 0.000 1.181 780 A CA 1.862 53.626 52.037 -0.455 0.000 0.623 780 A CB -0.861 17.945 19.000 -0.323 0.000 0.818 780 A HN 0.434 nan 8.150 nan 0.000 0.443 781 A N -1.236 121.413 122.820 -0.286 0.000 1.929 781 A HA -0.031 4.290 4.320 0.002 0.000 0.216 781 A C 2.083 179.590 177.584 -0.129 0.000 1.176 781 A CA 1.824 53.786 52.037 -0.125 0.000 0.628 781 A CB -0.424 18.541 19.000 -0.058 0.000 0.816 781 A HN 0.397 nan 8.150 nan 0.000 0.444 782 M N 0.087 119.527 119.600 -0.267 0.000 2.229 782 M HA -0.103 4.379 4.480 0.002 0.000 0.264 782 M C 1.737 177.991 176.300 -0.076 0.000 1.063 782 M CA 1.216 56.430 55.300 -0.144 0.000 1.114 782 M CB -1.403 31.038 32.600 -0.264 0.000 1.387 782 M HN 0.529 nan 8.290 nan 0.000 0.420 783 D N -0.446 119.807 120.400 -0.245 0.000 2.117 783 D HA -0.205 4.437 4.640 0.002 0.000 0.197 783 D C 1.751 177.975 176.300 -0.126 0.000 0.987 783 D CA 1.346 55.188 54.000 -0.263 0.000 0.829 783 D CB 0.106 40.640 40.800 -0.444 0.000 0.961 783 D HN 0.300 nan 8.370 nan 0.000 0.460 784 Y N 0.843 121.099 120.300 -0.073 0.000 2.263 784 Y HA 0.007 4.558 4.550 0.003 0.000 0.292 784 Y C 2.513 178.415 175.900 0.005 0.000 1.130 784 Y CA 0.218 58.298 58.100 -0.032 0.000 1.179 784 Y CB -0.759 37.669 38.460 -0.054 0.000 0.998 784 Y HN 0.000 nan 8.280 nan 0.000 0.532 785 L N -0.721 120.610 121.223 0.181 0.000 2.056 785 L HA -0.228 4.113 4.340 0.002 0.000 0.207 785 L C 2.626 179.552 176.870 0.093 0.000 1.078 785 L CA 1.298 56.244 54.840 0.177 0.000 0.749 785 L CB -0.346 41.875 42.059 0.270 0.000 0.901 785 L HN 0.115 nan 8.230 nan 0.000 0.433 786 R N 0.022 120.511 120.500 -0.018 0.000 2.075 786 R HA -0.182 4.159 4.340 0.002 0.000 0.232 786 R C 2.085 178.214 176.300 -0.285 0.000 1.126 786 R CA 1.492 57.409 56.100 -0.306 0.000 0.963 786 R CB -0.100 29.959 30.300 -0.402 0.000 0.858 786 R HN 0.526 nan 8.270 nan 0.000 0.435 787 Q N -0.765 118.974 119.800 -0.101 0.000 2.466 787 Q HA 0.035 4.376 4.340 0.002 0.000 0.210 787 Q C 1.236 177.280 176.000 0.075 0.000 0.961 787 Q CA 0.834 56.640 55.803 0.005 0.000 0.953 787 Q CB 0.465 29.331 28.738 0.213 0.000 1.011 787 Q HN 0.260 nan 8.270 nan 0.000 0.516 788 G N 1.153 109.954 108.800 0.002 0.000 2.551 788 G HA2 -0.050 3.911 3.960 0.002 0.000 0.216 788 G HA3 -0.050 3.911 3.960 0.002 0.000 0.216 788 G C 0.657 175.522 174.900 -0.060 0.000 1.137 788 G CA -0.255 44.851 45.100 0.010 0.000 0.798 788 G HN 0.304 nan 8.290 nan 0.000 0.536 789 I N 1.579 122.027 120.570 -0.203 0.000 2.737 789 I HA 0.192 4.364 4.170 0.002 0.000 0.293 789 I C 0.806 176.643 176.117 -0.467 0.000 1.056 789 I CA 0.169 61.300 61.300 -0.282 0.000 2.394 789 I CB -1.266 36.517 38.000 -0.361 0.000 1.586 789 I HN 0.254 nan 8.210 nan 0.000 1.074 790 H N 0.443 119.481 119.070 -0.053 0.000 5.185 790 H HA 0.335 4.893 4.556 0.002 0.000 0.090 790 H C -0.422 174.867 175.328 -0.065 0.000 1.301 790 H CA -0.614 55.398 56.048 -0.060 0.000 0.627 790 H CB 0.519 30.245 29.762 -0.059 0.000 1.516 790 H HN 0.023 nan 8.280 nan 0.000 0.102 791 L N 2.583 123.855 121.223 0.081 0.000 2.960 791 L HA 0.318 4.659 4.340 0.002 0.000 0.274 791 L C 0.653 177.483 176.870 -0.066 0.000 1.327 791 L CA 0.048 54.871 54.840 -0.029 0.000 0.860 791 L CB 0.320 42.353 42.059 -0.043 0.000 1.239 791 L HN 0.218 nan 8.230 nan 0.000 0.551 792 R N -0.264 120.198 120.500 -0.063 0.000 2.127 792 R HA 0.522 4.863 4.340 0.002 0.000 0.217 792 R C 0.854 177.030 176.300 -0.206 0.000 1.074 792 R CA 0.726 56.762 56.100 -0.107 0.000 0.991 792 R CB 0.218 30.493 30.300 -0.042 0.000 0.895 792 R HN 0.512 nan 8.270 nan 0.000 0.450 793 G N -0.904 107.787 108.800 -0.182 0.000 2.332 793 G HA2 0.087 4.048 3.960 0.002 0.000 0.265 793 G HA3 0.087 4.048 3.960 0.002 0.000 0.265 793 G C -1.430 173.401 174.900 -0.115 0.000 1.329 793 G CA -0.714 44.191 45.100 -0.327 0.000 0.949 793 G HN 0.223 nan 8.290 nan 0.000 0.476 794 Y N -1.523 118.781 120.300 0.006 0.000 2.805 794 Y HA 0.058 4.610 4.550 0.002 0.000 0.044 794 Y C 0.657 176.564 175.900 0.013 0.000 2.040 794 Y CA 0.301 58.407 58.100 0.009 0.000 1.187 794 Y CB -1.205 37.262 38.460 0.011 0.000 1.859 794 Y HN 1.859 nan 8.280 nan 0.000 0.293 795 A N 4.306 127.232 122.820 0.176 0.000 2.910 795 A HA 0.644 4.965 4.320 0.002 0.000 0.316 795 A C 0.255 177.911 177.584 0.121 0.000 1.493 795 A CA 0.165 52.272 52.037 0.116 0.000 1.150 795 A CB 0.588 19.632 19.000 0.073 0.000 1.159 795 A HN 0.601 nan 8.150 nan 0.000 0.526 796 Q N -0.047 119.813 119.800 0.100 0.000 2.986 796 Q HA 0.066 4.407 4.340 0.002 0.000 0.332 796 Q C -1.002 174.924 176.000 -0.123 0.000 0.791 796 Q CA -0.811 55.002 55.803 0.017 0.000 0.969 796 Q CB 0.265 29.077 28.738 0.124 0.000 1.372 796 Q HN 0.651 nan 8.270 nan 0.000 0.487 797 K N 2.419 122.615 120.400 -0.340 0.000 1.953 797 K HA -0.159 4.162 4.320 0.002 0.000 0.236 797 K C -0.538 175.944 176.600 -0.198 0.000 1.294 797 K CA 0.583 56.673 56.287 -0.327 0.000 1.409 797 K CB -0.544 31.687 32.500 -0.448 0.000 0.816 797 K HN 0.360 nan 8.250 nan 0.000 0.419 798 D N 2.912 123.264 120.400 -0.081 0.000 6.610 798 D HA -0.165 4.476 4.640 0.002 0.000 0.176 798 D C -1.249 175.067 176.300 0.026 0.000 1.245 798 D CA -0.451 53.540 54.000 -0.015 0.000 0.811 798 D CB 0.401 41.189 40.800 -0.021 0.000 1.423 798 D HN 0.332 nan 8.370 nan 0.000 0.787 799 P HA -0.232 nan 4.420 nan 0.000 0.217 799 P C 0.569 177.958 177.300 0.147 0.000 1.158 799 P CA 1.539 64.724 63.100 0.141 0.000 0.887 799 P CB -0.034 31.762 31.700 0.161 0.000 0.792 800 K N -1.308 119.151 120.400 0.099 0.000 2.107 800 K HA 0.124 4.445 4.320 0.002 0.000 0.251 800 K C 0.756 177.334 176.600 -0.038 0.000 1.012 800 K CA -0.391 55.870 56.287 -0.043 0.000 0.920 800 K CB 0.797 33.148 32.500 -0.248 0.000 1.033 800 K HN -0.181 nan 8.250 nan 0.000 0.478 801 Q N -0.503 119.264 119.800 -0.056 0.000 4.217 801 Q HA -0.301 4.041 4.340 0.002 0.000 0.234 801 Q C 1.435 177.451 176.000 0.027 0.000 2.604 801 Q CA 2.334 58.131 55.803 -0.009 0.000 0.312 801 Q CB -1.777 26.954 28.738 -0.012 0.000 0.198 801 Q HN 0.891 nan 8.270 nan 0.000 0.546 802 E N 0.339 120.570 120.200 0.052 0.000 2.047 802 E HA -0.106 4.245 4.350 0.002 0.000 0.191 802 E C 1.828 178.479 176.600 0.086 0.000 0.987 802 E CA 1.855 58.294 56.400 0.066 0.000 0.799 802 E CB -0.491 29.256 29.700 0.079 0.000 0.752 802 E HN 0.517 nan 8.360 nan 0.000 0.449 803 Y N 1.336 121.649 120.300 0.022 0.000 2.081 803 Y HA -0.321 4.230 4.550 0.002 0.000 0.280 803 Y C 1.817 177.708 175.900 -0.015 0.000 1.163 803 Y CA 2.589 60.703 58.100 0.022 0.000 1.135 803 Y CB -0.088 38.420 38.460 0.080 0.000 0.970 803 Y HN -0.019 nan 8.280 nan 0.000 0.498 804 K N -0.142 120.189 120.400 -0.115 0.000 2.103 804 K HA -0.171 4.150 4.320 0.002 0.000 0.207 804 K C 2.197 178.769 176.600 -0.047 0.000 1.048 804 K CA 1.788 57.972 56.287 -0.172 0.000 0.930 804 K CB -0.211 32.304 32.500 0.024 0.000 0.716 804 K HN 0.358 nan 8.250 nan 0.000 0.444 805 R N 0.870 121.377 120.500 0.012 0.000 2.093 805 R HA -0.054 4.288 4.340 0.002 0.000 0.224 805 R C 2.068 178.390 176.300 0.036 0.000 1.101 805 R CA 1.088 57.229 56.100 0.067 0.000 0.979 805 R CB -0.010 30.318 30.300 0.047 0.000 0.877 805 R HN 0.293 nan 8.270 nan 0.000 0.441 806 E N 0.167 120.351 120.200 -0.026 0.000 2.072 806 E HA -0.136 4.216 4.350 0.002 0.000 0.191 806 E C 1.975 178.536 176.600 -0.064 0.000 0.985 806 E CA 1.225 57.615 56.400 -0.018 0.000 0.801 806 E CB -0.012 29.687 29.700 -0.003 0.000 0.750 806 E HN 0.101 nan 8.360 nan 0.000 0.452 807 S N -0.045 115.496 115.700 -0.264 0.000 2.348 807 S HA -0.150 4.322 4.470 0.002 0.000 0.221 807 S C 1.733 176.303 174.600 -0.050 0.000 1.033 807 S CA 0.958 58.972 58.200 -0.310 0.000 1.010 807 S CB -0.268 62.426 63.200 -0.843 0.000 0.891 807 S HN 0.165 nan 8.310 nan 0.000 0.442 808 F N 1.792 121.724 119.950 -0.030 0.000 2.161 808 F HA -0.023 4.505 4.527 0.002 0.000 0.300 808 F C 3.025 178.910 175.800 0.142 0.000 1.089 808 F CA 1.214 59.263 58.000 0.081 0.000 1.282 808 F CB -1.098 37.910 39.000 0.013 0.000 1.010 808 F HN 0.280 nan 8.300 nan 0.000 0.485 809 S N -0.098 115.749 115.700 0.245 0.000 2.348 809 S HA -0.222 4.249 4.470 0.002 0.000 0.221 809 S C 2.172 176.862 174.600 0.150 0.000 1.033 809 S CA 1.379 59.676 58.200 0.161 0.000 1.010 809 S CB -0.269 62.992 63.200 0.101 0.000 0.891 809 S HN 0.317 nan 8.310 nan 0.000 0.442 810 M N -0.097 119.600 119.600 0.161 0.000 2.149 810 M HA -0.096 4.386 4.480 0.002 0.000 0.261 810 M C 1.985 178.406 176.300 0.203 0.000 1.064 810 M CA 1.696 57.107 55.300 0.185 0.000 1.102 810 M CB -0.569 32.163 32.600 0.220 0.000 1.369 810 M HN 0.492 nan 8.290 nan 0.000 0.408 811 F N 1.065 121.055 119.950 0.066 0.000 2.134 811 F HA -0.151 4.377 4.527 0.002 0.000 0.299 811 F C 2.310 178.102 175.800 -0.013 0.000 1.097 811 F CA 1.594 59.532 58.000 -0.103 0.000 1.264 811 F CB -0.399 38.600 39.000 -0.001 0.000 1.001 811 F HN 0.044 nan 8.300 nan 0.000 0.479 812 A N 0.027 122.850 122.820 0.005 0.000 1.970 812 A HA 0.164 4.485 4.320 0.002 0.000 0.216 812 A C 2.380 179.892 177.584 -0.120 0.000 1.170 812 A CA 1.130 53.091 52.037 -0.126 0.000 0.645 812 A CB -1.377 17.642 19.000 0.032 0.000 0.816 812 A HN 0.455 nan 8.150 nan 0.000 0.447 813 A N -0.113 122.680 122.820 -0.044 0.000 1.883 813 A HA -0.195 4.127 4.320 0.002 0.000 0.217 813 A C 2.264 179.807 177.584 -0.068 0.000 1.186 813 A CA 1.930 53.944 52.037 -0.039 0.000 0.624 813 A CB -0.619 18.383 19.000 0.003 0.000 0.822 813 A HN 0.606 nan 8.150 nan 0.000 0.444 814 M N -0.342 119.205 119.600 -0.089 0.000 2.144 814 M HA -0.163 4.318 4.480 0.002 0.000 0.260 814 M C 1.782 177.996 176.300 -0.144 0.000 1.067 814 M CA 1.782 57.026 55.300 -0.093 0.000 1.095 814 M CB -0.367 32.176 32.600 -0.096 0.000 1.365 814 M HN 0.429 nan 8.290 nan 0.000 0.406 815 L N -0.137 120.920 121.223 -0.277 0.000 2.141 815 L HA -0.174 4.167 4.340 0.002 0.000 0.209 815 L C 2.405 179.209 176.870 -0.109 0.000 1.094 815 L CA 0.818 55.516 54.840 -0.236 0.000 0.763 815 L CB -0.776 41.085 42.059 -0.330 0.000 0.908 815 L HN 0.271 nan 8.230 nan 0.000 0.437 816 E N -0.111 120.039 120.200 -0.082 0.000 2.112 816 E HA -0.082 4.270 4.350 0.002 0.000 0.190 816 E C 2.405 179.021 176.600 0.027 0.000 0.979 816 E CA 1.080 57.466 56.400 -0.022 0.000 0.814 816 E CB -0.203 29.480 29.700 -0.028 0.000 0.762 816 E HN 0.336 nan 8.360 nan 0.000 0.460 817 S N 1.456 117.163 115.700 0.012 0.000 2.423 817 S HA -0.115 4.357 4.470 0.002 0.000 0.231 817 S C 1.894 176.548 174.600 0.089 0.000 1.014 817 S CA 0.515 58.750 58.200 0.059 0.000 0.965 817 S CB -0.162 63.060 63.200 0.036 0.000 0.785 817 S HN 0.120 nan 8.310 nan 0.000 0.495 818 L N 1.996 123.246 121.223 0.044 0.000 2.046 818 L HA -0.025 4.316 4.340 0.002 0.000 0.208 818 L C 1.888 178.796 176.870 0.062 0.000 1.077 818 L CA 1.778 56.645 54.840 0.045 0.000 0.747 818 L CB -0.462 41.601 42.059 0.006 0.000 0.896 818 L HN 0.094 nan 8.230 nan 0.000 0.432 819 K N -1.809 118.632 120.400 0.069 0.000 2.057 819 K HA -0.204 4.117 4.320 0.002 0.000 0.206 819 K C 2.138 178.823 176.600 0.141 0.000 1.050 819 K CA 1.801 58.135 56.287 0.079 0.000 0.935 819 K CB -0.419 32.124 32.500 0.071 0.000 0.715 819 K HN 0.359 nan 8.250 nan 0.000 0.439 820 Y N 2.229 122.565 120.300 0.060 0.000 2.263 820 Y HA -0.137 4.415 4.550 0.003 0.000 0.292 820 Y C 2.066 178.028 175.900 0.104 0.000 1.130 820 Y CA 1.329 59.493 58.100 0.107 0.000 1.179 820 Y CB 0.293 38.796 38.460 0.073 0.000 0.998 820 Y HN 0.035 nan 8.280 nan 0.000 0.532 821 E N -0.501 119.826 120.200 0.212 0.000 2.072 821 E HA -0.170 4.182 4.350 0.002 0.000 0.191 821 E C 2.382 179.011 176.600 0.048 0.000 0.985 821 E CA 1.366 57.837 56.400 0.117 0.000 0.801 821 E CB -0.593 29.175 29.700 0.113 0.000 0.750 821 E HN 0.365 nan 8.360 nan 0.000 0.452 822 V N 2.492 122.431 119.914 0.042 0.000 2.231 822 V HA -0.284 3.837 4.120 0.002 0.000 0.248 822 V C 2.450 178.546 176.094 0.003 0.000 1.054 822 V CA 1.627 63.932 62.300 0.007 0.000 1.015 822 V CB -0.469 31.350 31.823 -0.007 0.000 0.638 822 V HN 0.241 nan 8.190 nan 0.000 0.444 823 I N -0.183 120.393 120.570 0.009 0.000 2.286 823 I HA -0.201 3.970 4.170 0.002 0.000 0.248 823 I C 2.687 178.874 176.117 0.117 0.000 1.115 823 I CA 1.973 63.289 61.300 0.026 0.000 1.392 823 I CB -1.419 36.605 38.000 0.040 0.000 1.065 823 I HN 0.381 nan 8.210 nan 0.000 0.418 824 S N 0.426 116.155 115.700 0.049 0.000 2.356 824 S HA -0.168 4.303 4.470 0.002 0.000 0.223 824 S C 2.110 176.748 174.600 0.065 0.000 1.032 824 S CA 2.192 60.390 58.200 -0.004 0.000 1.005 824 S CB -0.203 62.887 63.200 -0.183 0.000 0.867 824 S HN 0.456 nan 8.310 nan 0.000 0.449 825 T N 2.666 117.255 114.554 0.058 0.000 2.720 825 T HA -0.001 4.351 4.350 0.002 0.000 0.268 825 T C 1.620 176.416 174.700 0.160 0.000 1.037 825 T CA 1.460 63.617 62.100 0.095 0.000 1.144 825 T CB -0.322 68.583 68.868 0.060 0.000 0.864 825 T HN 0.352 nan 8.240 nan 0.000 0.444 826 L N 0.623 121.922 121.223 0.127 0.000 2.395 826 L HA 0.050 4.391 4.340 0.002 0.000 0.218 826 L C 2.540 179.513 176.870 0.172 0.000 1.130 826 L CA 0.600 55.548 54.840 0.180 0.000 0.826 826 L CB -0.312 41.729 42.059 -0.029 0.000 0.941 826 L HN 0.219 nan 8.230 nan 0.000 0.451 827 S N -0.247 115.541 115.700 0.146 0.000 2.439 827 S HA -0.022 4.449 4.470 0.002 0.000 0.224 827 S C 1.748 176.470 174.600 0.203 0.000 1.029 827 S CA 0.599 58.913 58.200 0.191 0.000 0.946 827 S CB 0.087 63.470 63.200 0.306 0.000 0.797 827 S HN 0.343 nan 8.310 nan 0.000 0.504 828 K N 1.262 121.766 120.400 0.174 0.000 2.426 828 K HA 0.224 4.546 4.320 0.002 0.000 0.193 828 K C 0.349 177.032 176.600 0.138 0.000 1.028 828 K CA -0.075 56.294 56.287 0.137 0.000 1.047 828 K CB 0.159 32.717 32.500 0.097 0.000 0.821 828 K HN 0.137 nan 8.250 nan 0.000 0.513 829 V N 2.366 122.391 119.914 0.185 0.000 2.644 829 V HA -0.110 4.012 4.120 0.002 0.000 0.305 829 V C -0.237 175.905 176.094 0.079 0.000 1.053 829 V CA 0.223 62.622 62.300 0.164 0.000 1.186 829 V CB 0.732 32.693 31.823 0.231 0.000 0.895 829 V HN 0.227 nan 8.190 nan 0.000 0.490 830 Q N 5.477 125.302 119.800 0.042 0.000 2.274 830 Q HA 0.571 4.912 4.340 0.002 0.000 0.256 830 Q C -0.830 175.149 176.000 -0.035 0.000 0.927 830 Q CA -0.019 55.791 55.803 0.013 0.000 0.939 830 Q CB 1.654 30.403 28.738 0.018 0.000 1.201 830 Q HN 0.973 nan 8.270 nan 0.000 0.426 831 V N 3.664 123.553 119.914 -0.042 0.000 2.612 831 V HA 0.585 4.706 4.120 0.002 0.000 0.301 831 V C -0.733 175.335 176.094 -0.044 0.000 1.059 831 V CA -1.101 61.159 62.300 -0.068 0.000 0.886 831 V CB 1.613 33.368 31.823 -0.113 0.000 1.007 831 V HN 0.928 nan 8.190 nan 0.000 0.426 832 R N 4.455 124.933 120.500 -0.038 0.000 2.473 832 R HA 0.266 4.608 4.340 0.002 0.000 0.315 832 R C -0.269 176.013 176.300 -0.030 0.000 0.972 832 R CA -0.292 55.792 56.100 -0.027 0.000 1.047 832 R CB 0.263 30.549 30.300 -0.023 0.000 0.932 832 R HN 0.709 nan 8.270 nan 0.000 0.411 833 M N 4.117 123.704 119.600 -0.023 0.000 1.921 833 M HA 0.208 4.690 4.480 0.002 0.000 0.243 833 M C -1.163 175.125 176.300 -0.020 0.000 1.280 833 M CA -1.907 53.379 55.300 -0.023 0.000 0.988 833 M CB -0.563 32.027 32.600 -0.016 0.000 1.336 833 M HN 0.570 nan 8.290 nan 0.000 0.496 834 P HA -0.225 nan 4.420 nan 0.000 0.249 834 P C -0.701 176.592 177.300 -0.013 0.000 0.857 834 P CA 1.157 64.247 63.100 -0.016 0.000 1.100 834 P CB 0.071 31.763 31.700 -0.013 0.000 0.761 835 E N -3.444 116.750 120.200 -0.010 0.000 2.154 835 E HA 0.438 4.789 4.350 0.002 0.000 0.253 835 E C -1.067 175.529 176.600 -0.005 0.000 1.475 835 E CA -0.659 55.737 56.400 -0.007 0.000 0.933 835 E CB 0.551 30.246 29.700 -0.008 0.000 1.511 835 E HN 0.370 nan 8.360 nan 0.000 0.467 836 E N 0.000 120.198 120.200 -0.004 0.000 2.725 836 E HA 0.000 4.351 4.350 0.002 0.000 0.291 836 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 836 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 836 E HN 0.000 nan 8.360 nan 0.000 0.440