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 2c6g_1_A DATA FIRST_RESID 57 DATA SEQUENCE NMKAFLDELK AENIKKFLYN FTQIPHLAGT EQNFQLAKQI QSQWKEFGLD DATA SEQUENCE SVELAHYDVL LSYPNKTHPN YISIINEDGN EIFNTSLFEP PPPGYENVSD DATA SEQUENCE IVPPFSAFSP QGMPEGDLVY VNYARTEDFF KLERDMKINC SGKIVIARYG DATA SEQUENCE KVFRGNKVKN AQLAGAKGVI LYSDPADYFA PGVKSYPDGW NLPGGGVQRG DATA SEQUENCE NILNLNGAGD PLTPGYPANE YAYRRGIAEA VGLPSIPVHP IGYYDAQKLL DATA SEQUENCE EKMGGSAPPD SSWRGSLKVP YNVGPGFXXX XXXQKVKMHI HSTNEVTRIY DATA SEQUENCE NVIGTLRGAV EPDRYVILGG HRDSWVFGGI DPQSGAAVVH EIVRSFGTLK DATA SEQUENCE KEGWRPRRTI LFASWDAEEF GLLGSTEWAE ENSRLLQERG VAYINADSSI DATA SEQUENCE EGNYTLRVDC TPLMYSLVHN LTKELKSPDE GFEGKSLYES WTKKSPSPEF DATA SEQUENCE SGMPRISKLG SGNDFEVFFQ RLGIASGRAR YTKNXXXXXX XGYPLYHSVY DATA SEQUENCE ETYELVEKFY DPMFKYHLTV AQVRGGMVFE LANSIVLPFD CRDYAVVLRK DATA SEQUENCE YADKIYSISM KHPQEMKTYS VSFDSLFSAV KNFTEIASKF SERLQDFDXX DATA SEQUENCE NPIVLRMMND QLMFLERAFI DPLGLPDRPF YRHVIYAPSS HNKYAGESFP DATA SEQUENCE GIYDALFDIE SKVDPSKAWG EVKRQIYVAA FTVQAAAETL SEVA 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 57 N HA 0.000 nan 4.740 nan 0.000 0.220 57 N C 0.000 175.328 175.510 -0.303 0.000 1.280 57 N CA 0.000 53.063 53.050 0.021 0.000 0.885 57 N CB 0.000 38.501 38.487 0.023 0.000 1.341 58 M N 0.389 119.694 119.600 -0.491 0.000 2.123 58 M HA -0.119 4.362 4.480 0.001 0.000 0.263 58 M C 2.241 178.252 176.300 -0.481 0.000 1.069 58 M CA 1.996 56.710 55.300 -0.978 0.000 1.133 58 M CB -0.226 31.941 32.600 -0.722 0.000 1.356 58 M HN 0.588 nan 8.290 nan 0.000 0.415 59 K N 0.424 120.654 120.400 -0.283 0.000 2.074 59 K HA -0.137 4.183 4.320 0.001 0.000 0.209 59 K C 1.750 178.215 176.600 -0.226 0.000 1.048 59 K CA 1.533 57.696 56.287 -0.208 0.000 0.926 59 K CB -1.181 31.236 32.500 -0.139 0.000 0.713 59 K HN 0.607 nan 8.250 nan 0.000 0.444 60 A N -0.061 122.624 122.820 -0.225 0.000 1.908 60 A HA -0.039 4.281 4.320 0.001 0.000 0.218 60 A C 2.081 179.501 177.584 -0.273 0.000 1.181 60 A CA 1.888 53.793 52.037 -0.221 0.000 0.627 60 A CB -0.868 18.011 19.000 -0.201 0.000 0.818 60 A HN 0.702 nan 8.150 nan 0.000 0.445 61 F N 0.770 120.444 119.950 -0.461 0.000 2.069 61 F HA -0.153 4.374 4.527 0.001 0.000 0.298 61 F C 1.886 177.449 175.800 -0.395 0.000 1.113 61 F CA 1.826 59.524 58.000 -0.504 0.000 1.214 61 F CB -0.463 38.136 39.000 -0.668 0.000 0.978 61 F HN 0.139 nan 8.300 nan 0.000 0.474 62 L N -0.120 120.746 121.223 -0.594 0.000 2.131 62 L HA -0.188 4.152 4.340 0.001 0.000 0.210 62 L C 1.887 178.497 176.870 -0.433 0.000 1.092 62 L CA 1.368 55.882 54.840 -0.544 0.000 0.759 62 L CB -0.806 41.085 42.059 -0.280 0.000 0.903 62 L HN 0.110 nan 8.230 nan 0.000 0.435 63 D N -0.493 119.701 120.400 -0.343 0.000 2.277 63 D HA -0.140 4.500 4.640 0.001 0.000 0.208 63 D C 2.001 178.140 176.300 -0.268 0.000 0.962 63 D CA 0.659 54.507 54.000 -0.254 0.000 0.865 63 D CB 0.203 40.887 40.800 -0.193 0.000 0.939 63 D HN 0.217 nan 8.370 nan 0.000 0.510 64 E N 0.203 120.198 120.200 -0.342 0.000 2.358 64 E HA 0.009 4.359 4.350 0.001 0.000 0.195 64 E C 0.282 176.686 176.600 -0.326 0.000 1.010 64 E CA 0.119 56.332 56.400 -0.310 0.000 0.856 64 E CB -0.034 29.473 29.700 -0.322 0.000 0.795 64 E HN 0.195 nan 8.360 nan 0.000 0.504 65 L N 2.343 123.323 121.223 -0.404 0.000 2.410 65 L HA 0.176 4.517 4.340 0.001 0.000 0.273 65 L C 0.055 176.794 176.870 -0.219 0.000 1.144 65 L CA -0.008 54.635 54.840 -0.327 0.000 0.863 65 L CB 0.503 42.338 42.059 -0.374 0.000 1.140 65 L HN -0.089 nan 8.230 nan 0.000 0.463 66 K N 2.868 123.164 120.400 -0.174 0.000 2.345 66 K HA 0.424 4.745 4.320 0.001 0.000 0.255 66 K C 0.551 177.077 176.600 -0.123 0.000 0.934 66 K CA -0.540 55.657 56.287 -0.149 0.000 0.801 66 K CB 1.981 34.384 32.500 -0.163 0.000 1.137 66 K HN 0.571 nan 8.250 nan 0.000 0.424 67 A N 2.344 125.108 122.820 -0.093 0.000 1.948 67 A HA -0.224 4.096 4.320 0.001 0.000 0.220 67 A C 1.958 179.444 177.584 -0.164 0.000 1.177 67 A CA 2.136 54.141 52.037 -0.053 0.000 0.636 67 A CB -0.417 18.582 19.000 -0.002 0.000 0.815 67 A HN 0.712 nan 8.150 nan 0.000 0.449 68 E N 0.274 120.356 120.200 -0.197 0.000 2.110 68 E HA -0.180 4.171 4.350 0.001 0.000 0.193 68 E C 1.873 178.243 176.600 -0.383 0.000 0.988 68 E CA 1.137 57.370 56.400 -0.278 0.000 0.804 68 E CB -0.831 28.737 29.700 -0.219 0.000 0.745 68 E HN 0.772 nan 8.360 nan 0.000 0.458 69 N N 0.308 118.788 118.700 -0.366 0.000 2.142 69 N HA 0.026 4.767 4.740 0.001 0.000 0.186 69 N C 1.953 177.076 175.510 -0.645 0.000 1.023 69 N CA 1.165 53.868 53.050 -0.578 0.000 0.852 69 N CB -0.321 37.933 38.487 -0.389 0.000 0.998 69 N HN 0.334 nan 8.380 nan 0.000 0.424 70 I N 1.418 121.831 120.570 -0.261 0.000 2.163 70 I HA -0.294 3.876 4.170 0.001 0.000 0.243 70 I C 2.483 178.455 176.117 -0.241 0.000 1.085 70 I CA 1.208 62.488 61.300 -0.033 0.000 1.347 70 I CB -0.210 37.881 38.000 0.153 0.000 1.044 70 I HN 0.160 nan 8.210 nan 0.000 0.408 71 K N 1.191 121.173 120.400 -0.697 0.000 2.026 71 K HA -0.250 4.071 4.320 0.001 0.000 0.208 71 K C 2.501 178.845 176.600 -0.427 0.000 1.048 71 K CA 1.924 57.558 56.287 -1.089 0.000 0.929 71 K CB -0.105 31.563 32.500 -1.387 0.000 0.713 71 K HN -0.026 nan 8.250 nan 0.000 0.439 72 K N 0.072 120.194 120.400 -0.463 0.000 2.032 72 K HA -0.148 4.173 4.320 0.001 0.000 0.209 72 K C 2.050 178.492 176.600 -0.264 0.000 1.048 72 K CA 1.831 57.884 56.287 -0.390 0.000 0.927 72 K CB -0.688 31.482 32.500 -0.550 0.000 0.712 72 K HN 0.354 nan 8.250 nan 0.000 0.441 73 F N 0.376 120.206 119.950 -0.200 0.000 2.146 73 F HA 0.085 4.613 4.527 0.001 0.000 0.298 73 F C 2.186 177.651 175.800 -0.559 0.000 1.096 73 F CA 0.839 58.568 58.000 -0.452 0.000 1.275 73 F CB -1.237 37.545 39.000 -0.364 0.000 1.008 73 F HN 0.110 nan 8.300 nan 0.000 0.480 74 L N -0.732 120.501 121.223 0.017 0.000 2.042 74 L HA -0.260 4.081 4.340 0.001 0.000 0.210 74 L C 2.359 179.352 176.870 0.204 0.000 1.076 74 L CA 1.722 56.691 54.840 0.216 0.000 0.749 74 L CB -1.100 41.236 42.059 0.462 0.000 0.893 74 L HN 0.230 nan 8.230 nan 0.000 0.432 75 Y N 0.204 120.461 120.300 -0.071 0.000 2.145 75 Y HA -0.287 4.264 4.550 0.001 0.000 0.286 75 Y C 2.629 178.446 175.900 -0.138 0.000 1.145 75 Y CA 2.181 60.061 58.100 -0.368 0.000 1.148 75 Y CB -0.498 37.589 38.460 -0.622 0.000 0.981 75 Y HN 0.415 nan 8.280 nan 0.000 0.507 76 N N -0.271 118.412 118.700 -0.027 0.000 2.205 76 N HA -0.194 4.547 4.740 0.001 0.000 0.186 76 N C 1.187 176.783 175.510 0.144 0.000 1.015 76 N CA 1.339 54.388 53.050 -0.001 0.000 0.862 76 N CB -0.315 38.186 38.487 0.022 0.000 0.986 76 N HN 0.330 nan 8.380 nan 0.000 0.429 77 F N 0.365 120.353 119.950 0.063 0.000 2.776 77 F HA 0.140 4.667 4.527 0.001 0.000 0.300 77 F C 1.871 177.792 175.800 0.201 0.000 1.116 77 F CA 0.654 58.685 58.000 0.053 0.000 1.375 77 F CB -0.469 38.534 39.000 0.004 0.000 1.109 77 F HN 0.060 nan 8.300 nan 0.000 0.585 78 T N -4.307 110.448 114.554 0.334 0.000 3.182 78 T HA 0.124 4.474 4.350 0.001 0.000 0.277 78 T C 1.279 176.133 174.700 0.256 0.000 1.013 78 T CA -0.107 62.198 62.100 0.342 0.000 0.900 78 T CB 0.291 69.356 68.868 0.328 0.000 1.098 78 T HN -0.091 nan 8.240 nan 0.000 0.543 79 Q N 1.460 121.346 119.800 0.143 0.000 2.269 79 Q HA 0.362 4.702 4.340 0.001 0.000 0.201 79 Q C 1.092 177.261 176.000 0.283 0.000 0.946 79 Q CA 0.580 56.425 55.803 0.070 0.000 0.877 79 Q CB 0.251 28.927 28.738 -0.104 0.000 0.963 79 Q HN 0.855 nan 8.270 nan 0.000 0.472 80 I N -3.459 117.264 120.570 0.256 0.000 3.042 80 I HA 0.583 4.753 4.170 0.001 0.000 0.310 80 I C -2.777 173.236 176.117 -0.174 0.000 1.117 80 I CA -3.048 58.338 61.300 0.144 0.000 1.003 80 I CB 2.361 40.331 38.000 -0.050 0.000 1.228 80 I HN -0.312 nan 8.210 nan 0.000 0.443 81 P HA 0.219 nan 4.420 nan 0.000 0.272 81 P C -1.257 175.745 177.300 -0.497 0.000 1.223 81 P CA 0.217 63.055 63.100 -0.438 0.000 0.784 81 P CB 0.137 31.595 31.700 -0.405 0.000 0.923 82 H N 0.508 119.568 119.070 -0.016 0.000 2.535 82 H HA 0.294 4.850 4.556 0.001 0.000 0.232 82 H C -0.407 174.937 175.328 0.026 0.000 1.405 82 H CA -0.703 55.349 56.048 0.008 0.000 1.224 82 H CB -0.093 29.667 29.762 -0.004 0.000 1.763 82 H HN 0.200 nan 8.280 nan 0.000 0.529 83 L N 1.758 123.051 121.223 0.118 0.000 2.456 83 L HA 0.389 4.730 4.340 0.001 0.000 0.272 83 L C 0.462 177.443 176.870 0.186 0.000 1.189 83 L CA -0.144 54.789 54.840 0.156 0.000 0.846 83 L CB 0.250 42.445 42.059 0.227 0.000 1.111 83 L HN 0.474 nan 8.230 nan 0.000 0.475 84 A N 3.745 126.682 122.820 0.196 0.000 2.540 84 A HA 0.437 4.757 4.320 0.001 0.000 0.239 84 A C 1.336 178.992 177.584 0.119 0.000 1.061 84 A CA 0.435 52.546 52.037 0.124 0.000 0.758 84 A CB -0.692 18.332 19.000 0.041 0.000 0.991 84 A HN 1.889 nan 8.150 nan 0.000 0.502 85 G N 1.360 110.235 108.800 0.124 0.000 2.179 85 G HA2 -0.181 3.780 3.960 0.001 0.000 0.260 85 G HA3 -0.181 3.780 3.960 0.001 0.000 0.260 85 G C 0.553 175.518 174.900 0.109 0.000 0.977 85 G CA 1.263 46.442 45.100 0.132 0.000 0.641 85 G HN 2.148 nan 8.290 nan 0.000 0.533 86 T N -2.699 111.921 114.554 0.110 0.000 2.927 86 T HA 0.691 5.041 4.350 0.001 0.000 0.281 86 T C 0.981 175.740 174.700 0.099 0.000 0.998 86 T CA 0.308 62.437 62.100 0.049 0.000 1.019 86 T CB 2.248 71.130 68.868 0.024 0.000 1.061 86 T HN 0.001 nan 8.240 nan 0.000 0.518 87 E N 0.254 120.494 120.200 0.067 0.000 2.150 87 E HA -0.170 4.181 4.350 0.001 0.000 0.193 87 E C 1.864 178.552 176.600 0.148 0.000 0.985 87 E CA 1.251 57.724 56.400 0.122 0.000 0.814 87 E CB -0.043 29.698 29.700 0.069 0.000 0.752 87 E HN 0.734 nan 8.360 nan 0.000 0.466 88 Q N 0.297 120.152 119.800 0.091 0.000 2.124 88 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 88 Q C 1.884 178.001 176.000 0.195 0.000 0.977 88 Q CA 1.576 57.433 55.803 0.091 0.000 0.850 88 Q CB -0.212 28.520 28.738 -0.010 0.000 0.901 88 Q HN 0.124 nan 8.270 nan 0.000 0.429 89 N N -0.525 118.293 118.700 0.195 0.000 2.300 89 N HA -0.104 4.636 4.740 0.001 0.000 0.179 89 N C 1.109 176.681 175.510 0.102 0.000 1.016 89 N CA 0.435 53.594 53.050 0.181 0.000 0.876 89 N CB -0.098 38.498 38.487 0.182 0.000 0.979 89 N HN 0.210 nan 8.380 nan 0.000 0.432 90 F N 1.479 121.399 119.950 -0.049 0.000 2.134 90 F HA -0.091 4.437 4.527 0.001 0.000 0.299 90 F C 2.107 177.773 175.800 -0.223 0.000 1.097 90 F CA 1.554 59.413 58.000 -0.235 0.000 1.264 90 F CB -0.399 38.422 39.000 -0.298 0.000 1.001 90 F HN 0.127 nan 8.300 nan 0.000 0.479 91 Q N -0.333 119.308 119.800 -0.264 0.000 2.079 91 Q HA -0.168 4.173 4.340 0.001 0.000 0.200 91 Q C 2.185 178.002 176.000 -0.305 0.000 0.974 91 Q CA 1.581 57.178 55.803 -0.344 0.000 0.840 91 Q CB -0.421 28.250 28.738 -0.112 0.000 0.898 91 Q HN 0.470 nan 8.270 nan 0.000 0.430 92 L N 0.581 121.682 121.223 -0.205 0.000 2.093 92 L HA -0.098 4.243 4.340 0.001 0.000 0.208 92 L C 2.120 178.755 176.870 -0.392 0.000 1.085 92 L CA 1.887 56.554 54.840 -0.289 0.000 0.755 92 L CB -0.753 41.055 42.059 -0.418 0.000 0.904 92 L HN 0.122 nan 8.230 nan 0.000 0.435 93 A N -0.239 122.359 122.820 -0.370 0.000 1.873 93 A HA -0.267 4.054 4.320 0.001 0.000 0.218 93 A C 2.300 179.617 177.584 -0.445 0.000 1.193 93 A CA 2.206 54.014 52.037 -0.383 0.000 0.629 93 A CB -0.593 18.249 19.000 -0.264 0.000 0.826 93 A HN 0.517 nan 8.150 nan 0.000 0.447 94 K N -0.689 119.384 120.400 -0.546 0.000 2.103 94 K HA -0.227 4.094 4.320 0.001 0.000 0.207 94 K C 2.382 178.772 176.600 -0.350 0.000 1.048 94 K CA 1.560 57.560 56.287 -0.479 0.000 0.930 94 K CB -0.236 31.903 32.500 -0.602 0.000 0.716 94 K HN 0.763 nan 8.250 nan 0.000 0.444 95 Q N 1.017 120.623 119.800 -0.324 0.000 2.020 95 Q HA -0.169 4.172 4.340 0.001 0.000 0.202 95 Q C 2.128 177.952 176.000 -0.295 0.000 0.982 95 Q CA 1.188 56.847 55.803 -0.240 0.000 0.838 95 Q CB 0.079 28.719 28.738 -0.164 0.000 0.899 95 Q HN 0.154 nan 8.270 nan 0.000 0.423 96 I N 1.317 121.635 120.570 -0.421 0.000 2.194 96 I HA -0.324 3.847 4.170 0.001 0.000 0.246 96 I C 2.558 178.258 176.117 -0.695 0.000 1.093 96 I CA 1.746 62.672 61.300 -0.624 0.000 1.355 96 I CB -1.478 35.972 38.000 -0.915 0.000 1.046 96 I HN 0.522 nan 8.210 nan 0.000 0.413 97 Q N 0.778 120.272 119.800 -0.510 0.000 2.050 97 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 97 Q C 2.380 178.257 176.000 -0.204 0.000 0.980 97 Q CA 2.359 57.966 55.803 -0.326 0.000 0.840 97 Q CB 0.138 28.740 28.738 -0.227 0.000 0.898 97 Q HN 0.424 nan 8.270 nan 0.000 0.424 98 S N 0.804 116.378 115.700 -0.210 0.000 2.359 98 S HA -0.218 4.252 4.470 0.001 0.000 0.224 98 S C 1.868 176.345 174.600 -0.206 0.000 1.035 98 S CA 1.638 59.742 58.200 -0.161 0.000 1.018 98 S CB -0.264 62.848 63.200 -0.146 0.000 0.876 98 S HN 0.456 nan 8.310 nan 0.000 0.448 99 Q N -0.816 118.794 119.800 -0.318 0.000 2.123 99 Q HA -0.085 4.256 4.340 0.001 0.000 0.199 99 Q C 1.904 177.413 176.000 -0.818 0.000 0.966 99 Q CA 1.023 56.450 55.803 -0.627 0.000 0.845 99 Q CB -0.140 28.190 28.738 -0.681 0.000 0.907 99 Q HN 0.580 nan 8.270 nan 0.000 0.439 100 W N 1.431 122.377 121.300 -0.590 0.000 2.388 100 W HA -0.056 4.605 4.660 0.001 0.000 0.294 100 W C 1.964 178.372 176.519 -0.185 0.000 1.212 100 W CA 0.526 57.652 57.345 -0.365 0.000 1.271 100 W CB -0.428 28.926 29.460 -0.177 0.000 1.126 100 W HN 0.093 nan 8.180 nan 0.000 0.535 101 K N 0.254 120.688 120.400 0.057 0.000 2.009 101 K HA -0.183 4.138 4.320 0.001 0.000 0.210 101 K C 2.023 178.645 176.600 0.037 0.000 1.049 101 K CA 2.433 58.746 56.287 0.043 0.000 0.929 101 K CB -0.366 32.141 32.500 0.012 0.000 0.714 101 K HN -0.096 nan 8.250 nan 0.000 0.440 102 E N 0.021 120.206 120.200 -0.025 0.000 2.153 102 E HA -0.148 4.202 4.350 0.001 0.000 0.194 102 E C 1.805 178.529 176.600 0.206 0.000 0.988 102 E CA 1.029 57.457 56.400 0.046 0.000 0.811 102 E CB -0.442 29.263 29.700 0.009 0.000 0.746 102 E HN 0.315 nan 8.360 nan 0.000 0.466 103 F N -0.335 119.627 119.950 0.020 0.000 2.604 103 F HA 0.295 4.822 4.527 0.001 0.000 0.298 103 F C 2.195 177.997 175.800 0.003 0.000 1.131 103 F CA 0.738 58.731 58.000 -0.011 0.000 1.457 103 F CB -0.445 38.510 39.000 -0.075 0.000 1.095 103 F HN 0.366 nan 8.300 nan 0.000 0.574 104 G N -0.298 108.620 108.800 0.197 0.000 2.205 104 G HA2 -0.193 3.768 3.960 0.001 0.000 0.180 104 G HA3 -0.193 3.768 3.960 0.001 0.000 0.180 104 G C 0.250 175.216 174.900 0.109 0.000 1.004 104 G CA -0.307 44.874 45.100 0.135 0.000 0.670 104 G HN 0.172 nan 8.290 nan 0.000 0.496 105 L N 1.073 122.354 121.223 0.096 0.000 2.467 105 L HA 0.237 4.578 4.340 0.001 0.000 0.270 105 L C 1.385 178.305 176.870 0.082 0.000 1.205 105 L CA -0.265 54.624 54.840 0.082 0.000 0.828 105 L CB 0.333 42.433 42.059 0.069 0.000 1.101 105 L HN 0.042 nan 8.230 nan 0.000 0.479 106 D N 0.337 120.780 120.400 0.072 0.000 2.117 106 D HA -0.061 4.580 4.640 0.001 0.000 0.198 106 D C 0.606 176.944 176.300 0.065 0.000 0.982 106 D CA 1.270 55.306 54.000 0.060 0.000 0.828 106 D CB 0.286 41.112 40.800 0.044 0.000 0.967 106 D HN 0.627 nan 8.370 nan 0.000 0.464 107 S N -0.782 114.964 115.700 0.077 0.000 2.579 107 S HA 0.609 5.079 4.470 0.001 0.000 0.272 107 S C -0.869 173.799 174.600 0.114 0.000 1.141 107 S CA -0.919 57.331 58.200 0.084 0.000 0.843 107 S CB 2.866 66.111 63.200 0.075 0.000 1.122 107 S HN -0.127 nan 8.310 nan 0.000 0.468 108 V N 1.455 121.437 119.914 0.114 0.000 2.567 108 V HA 0.612 4.733 4.120 0.001 0.000 0.298 108 V C -1.228 174.925 176.094 0.099 0.000 1.047 108 V CA -0.513 61.873 62.300 0.143 0.000 0.880 108 V CB 1.517 33.444 31.823 0.172 0.000 1.009 108 V HN 0.912 nan 8.190 nan 0.000 0.429 109 E N 3.509 123.773 120.200 0.106 0.000 2.277 109 E HA 0.633 4.984 4.350 0.001 0.000 0.266 109 E C -0.906 175.748 176.600 0.091 0.000 0.901 109 E CA -0.817 55.640 56.400 0.095 0.000 0.782 109 E CB 2.955 32.723 29.700 0.113 0.000 1.228 109 E HN 0.535 nan 8.360 nan 0.000 0.424 110 L N 1.248 122.535 121.223 0.107 0.000 2.290 110 L HA 0.487 4.827 4.340 0.001 0.000 0.284 110 L C 0.190 177.154 176.870 0.157 0.000 1.078 110 L CA -0.701 54.238 54.840 0.165 0.000 0.815 110 L CB 0.885 43.099 42.059 0.259 0.000 1.162 110 L HN 0.413 nan 8.230 nan 0.000 0.435 111 A N 4.063 126.979 122.820 0.160 0.000 2.271 111 A HA 0.549 4.870 4.320 0.001 0.000 0.317 111 A C -0.515 177.016 177.584 -0.088 0.000 1.245 111 A CA -0.570 51.483 52.037 0.026 0.000 0.857 111 A CB 0.309 19.507 19.000 0.329 0.000 1.175 111 A HN 0.861 nan 8.150 nan 0.000 0.512 112 H N 0.475 119.322 119.070 -0.370 0.000 2.670 112 H HA 0.807 5.363 4.556 0.001 0.000 0.361 112 H C -1.889 172.867 175.328 -0.953 0.000 1.169 112 H CA -0.707 55.023 56.048 -0.531 0.000 1.198 112 H CB 1.427 30.886 29.762 -0.505 0.000 1.700 112 H HN 0.534 nan 8.280 nan 0.000 0.542 113 Y N -0.490 119.840 120.300 0.051 0.000 2.597 113 Y HA 0.206 4.756 4.550 0.001 0.000 0.340 113 Y C -0.836 175.031 175.900 -0.055 0.000 1.097 113 Y CA -1.092 57.016 58.100 0.013 0.000 1.037 113 Y CB 2.131 40.587 38.460 -0.007 0.000 1.305 113 Y HN 0.610 nan 8.280 nan 0.000 0.463 114 D N 2.635 123.088 120.400 0.089 0.000 2.441 114 D HA 0.456 5.097 4.640 0.001 0.000 0.231 114 D C -0.823 175.484 176.300 0.013 0.000 1.073 114 D CA -0.093 53.909 54.000 0.004 0.000 0.850 114 D CB 1.703 42.486 40.800 -0.029 0.000 1.062 114 D HN 0.392 nan 8.370 nan 0.000 0.524 115 V N -0.309 119.605 119.914 -0.000 0.000 2.960 115 V HA 0.527 4.647 4.120 0.001 0.000 0.315 115 V C -0.241 175.848 176.094 -0.009 0.000 1.087 115 V CA -1.214 61.081 62.300 -0.008 0.000 0.982 115 V CB 2.147 33.963 31.823 -0.011 0.000 1.039 115 V HN 0.257 nan 8.190 nan 0.000 0.437 116 L N 3.445 124.682 121.223 0.023 0.000 2.433 116 L HA 0.436 4.776 4.340 0.001 0.000 0.275 116 L C -0.284 176.681 176.870 0.159 0.000 1.128 116 L CA 0.812 55.708 54.840 0.092 0.000 0.875 116 L CB -0.495 41.647 42.059 0.138 0.000 1.171 116 L HN 0.685 nan 8.230 nan 0.000 0.463 117 L N 3.248 124.434 121.223 -0.063 0.000 2.299 117 L HA 0.699 5.039 4.340 0.001 0.000 0.268 117 L C -0.095 176.435 176.870 -0.567 0.000 1.012 117 L CA -0.849 53.717 54.840 -0.458 0.000 0.816 117 L CB 1.876 43.408 42.059 -0.878 0.000 1.355 117 L HN 0.596 nan 8.230 nan 0.000 0.457 118 S N -0.599 114.585 115.700 -0.859 0.000 2.575 118 S HA 0.674 5.144 4.470 0.001 0.000 0.278 118 S C -1.735 172.636 174.600 -0.382 0.000 1.139 118 S CA -0.401 57.488 58.200 -0.518 0.000 0.954 118 S CB 0.850 63.646 63.200 -0.673 0.000 1.054 118 S HN 0.365 nan 8.310 nan 0.000 0.483 119 Y N 2.377 122.689 120.300 0.019 0.000 2.512 119 Y HA 0.571 5.122 4.550 0.001 0.000 0.348 119 Y C -2.453 173.278 175.900 -0.283 0.000 0.990 119 Y CA -2.247 55.742 58.100 -0.184 0.000 1.033 119 Y CB 1.545 39.932 38.460 -0.122 0.000 1.259 119 Y HN 0.464 nan 8.280 nan 0.000 0.461 120 P HA -0.009 nan 4.420 nan 0.000 0.271 120 P C -0.398 176.880 177.300 -0.038 0.000 1.216 120 P CA -0.221 62.773 63.100 -0.178 0.000 0.776 120 P CB 0.581 32.131 31.700 -0.249 0.000 0.881 121 N N 2.080 120.797 118.700 0.027 0.000 2.427 121 N HA -0.059 4.682 4.740 0.001 0.000 0.269 121 N C 1.243 176.764 175.510 0.018 0.000 1.235 121 N CA 0.320 53.388 53.050 0.031 0.000 0.934 121 N CB 0.370 38.891 38.487 0.058 0.000 1.121 121 N HN 0.003 nan 8.380 nan 0.000 0.480 122 K N 1.801 122.194 120.400 -0.011 0.000 2.113 122 K HA -0.123 4.197 4.320 0.001 0.000 0.208 122 K C 1.858 178.460 176.600 0.003 0.000 1.047 122 K CA 2.119 58.397 56.287 -0.016 0.000 0.928 122 K CB -0.708 31.768 32.500 -0.040 0.000 0.716 122 K HN 0.886 nan 8.250 nan 0.000 0.446 123 T N -4.160 110.396 114.554 0.003 0.000 3.065 123 T HA 0.011 4.361 4.350 0.001 0.000 0.252 123 T C 0.635 175.350 174.700 0.025 0.000 1.099 123 T CA 0.582 62.686 62.100 0.007 0.000 1.063 123 T CB -0.131 68.733 68.868 -0.007 0.000 0.948 123 T HN 0.331 nan 8.240 nan 0.000 0.506 124 H N 2.623 121.719 119.070 0.044 0.000 2.530 124 H HA 0.530 5.087 4.556 0.001 0.000 0.246 124 H C -2.834 172.622 175.328 0.213 0.000 1.346 124 H CA -2.462 53.639 56.048 0.089 0.000 1.424 124 H CB 0.736 30.469 29.762 -0.049 0.000 1.445 124 H HN 0.432 nan 8.280 nan 0.000 0.511 125 P HA 0.090 nan 4.420 nan 0.000 0.269 125 P C -0.366 177.097 177.300 0.270 0.000 1.215 125 P CA -0.224 62.994 63.100 0.196 0.000 0.780 125 P CB 0.898 32.685 31.700 0.145 0.000 0.898 126 N N 1.198 119.994 118.700 0.159 0.000 2.509 126 N HA 0.398 5.139 4.740 0.001 0.000 0.287 126 N C -0.229 175.272 175.510 -0.015 0.000 1.121 126 N CA 0.016 53.049 53.050 -0.028 0.000 0.977 126 N CB 0.731 39.117 38.487 -0.167 0.000 1.167 126 N HN 0.559 nan 8.380 nan 0.000 0.476 127 Y N -1.905 118.213 120.300 -0.303 0.000 2.741 127 Y HA 0.615 5.165 4.550 0.001 0.000 0.339 127 Y C -1.715 174.153 175.900 -0.054 0.000 1.226 127 Y CA -1.238 56.733 58.100 -0.215 0.000 1.072 127 Y CB 0.778 39.158 38.460 -0.134 0.000 1.331 127 Y HN 0.287 nan 8.280 nan 0.000 0.453 128 I N 1.677 122.306 120.570 0.098 0.000 2.603 128 I HA 0.664 4.834 4.170 0.001 0.000 0.300 128 I C -0.594 175.652 176.117 0.215 0.000 1.017 128 I CA -0.830 60.534 61.300 0.106 0.000 1.098 128 I CB 2.288 40.355 38.000 0.112 0.000 1.279 128 I HN 0.660 nan 8.210 nan 0.000 0.437 129 S N 4.618 120.441 115.700 0.205 0.000 2.536 129 S HA 0.626 5.096 4.470 0.001 0.000 0.287 129 S C -0.497 174.198 174.600 0.159 0.000 1.101 129 S CA -0.575 57.755 58.200 0.217 0.000 0.950 129 S CB 1.668 65.048 63.200 0.300 0.000 1.056 129 S HN 0.309 nan 8.310 nan 0.000 0.481 130 I N 3.657 124.305 120.570 0.129 0.000 2.395 130 I HA 0.400 4.571 4.170 0.001 0.000 0.289 130 I C -0.264 175.920 176.117 0.112 0.000 1.023 130 I CA -0.487 60.888 61.300 0.126 0.000 1.350 130 I CB 0.630 38.669 38.000 0.065 0.000 1.409 130 I HN 0.543 nan 8.210 nan 0.000 0.507 131 I N 3.023 123.665 120.570 0.121 0.000 2.530 131 I HA 0.518 4.688 4.170 0.001 0.000 0.297 131 I C -0.311 175.858 176.117 0.087 0.000 1.011 131 I CA -0.917 60.441 61.300 0.097 0.000 1.107 131 I CB 1.611 39.666 38.000 0.093 0.000 1.285 131 I HN 0.523 nan 8.210 nan 0.000 0.436 132 N N 2.865 121.603 118.700 0.063 0.000 2.418 132 N HA 0.301 5.042 4.740 0.001 0.000 0.283 132 N C 1.091 176.631 175.510 0.051 0.000 1.267 132 N CA 0.173 53.255 53.050 0.053 0.000 0.975 132 N CB -0.066 38.441 38.487 0.033 0.000 1.167 132 N HN 0.749 nan 8.380 nan 0.000 0.581 133 E N -1.632 118.594 120.200 0.043 0.000 2.147 133 E HA -0.192 4.159 4.350 0.001 0.000 0.199 133 E C 1.591 178.210 176.600 0.032 0.000 1.005 133 E CA 2.309 58.731 56.400 0.037 0.000 0.810 133 E CB -1.994 nan 29.700 nan 0.000 0.736 133 E HN 0.856 nan 8.360 nan 0.000 0.460 134 D N -1.465 118.953 120.400 0.031 0.000 2.328 134 D HA 0.393 5.033 4.640 0.001 0.000 0.221 134 D C 1.612 177.933 176.300 0.034 0.000 1.072 134 D CA 0.916 54.933 54.000 0.029 0.000 0.850 134 D CB -0.506 nan 40.800 nan 0.000 0.922 134 D HN 1.299 nan 8.370 nan 0.000 0.516 135 G N 0.281 109.106 108.800 0.042 0.000 2.147 135 G HA2 -0.242 3.718 3.960 0.001 0.000 0.244 135 G HA3 -0.242 3.718 3.960 0.001 0.000 0.244 135 G C 0.039 174.975 174.900 0.060 0.000 1.005 135 G CA 0.186 45.316 45.100 0.051 0.000 0.713 135 G HN 0.690 nan 8.290 nan 0.000 0.515 136 N N 0.453 119.185 118.700 0.053 0.000 2.518 136 N HA 0.424 5.165 4.740 0.001 0.000 0.283 136 N C -0.134 175.416 175.510 0.066 0.000 1.119 136 N CA -0.404 52.678 53.050 0.054 0.000 0.983 136 N CB 0.690 39.199 38.487 0.036 0.000 1.139 136 N HN 0.336 nan 8.380 nan 0.000 0.465 137 E N 2.337 122.582 120.200 0.075 0.000 1.963 137 E HA 0.084 4.435 4.350 0.001 0.000 0.274 137 E C 0.750 177.384 176.600 0.057 0.000 1.061 137 E CA -0.116 56.340 56.400 0.093 0.000 0.847 137 E CB 0.371 30.152 29.700 0.134 0.000 1.083 137 E HN 0.615 nan 8.360 nan 0.000 0.402 138 I N -1.050 119.548 120.570 0.046 0.000 2.480 138 I HA 0.058 4.229 4.170 0.001 0.000 0.251 138 I C 0.702 176.823 176.117 0.007 0.000 1.124 138 I CA 0.269 61.579 61.300 0.017 0.000 1.444 138 I CB 0.270 38.271 38.000 0.002 0.000 1.098 138 I HN 0.127 nan 8.210 nan 0.000 0.428 139 F N 2.657 122.621 119.950 0.023 0.000 2.482 139 F HA 0.604 5.131 4.527 0.001 0.000 0.331 139 F C -0.822 175.014 175.800 0.061 0.000 1.115 139 F CA -1.197 56.815 58.000 0.020 0.000 0.955 139 F CB 1.419 40.422 39.000 0.004 0.000 1.136 139 F HN 0.052 nan 8.300 nan 0.000 0.452 140 N N 1.986 120.708 118.700 0.036 0.000 2.321 140 N HA 0.400 5.140 4.740 0.001 0.000 0.299 140 N C -0.269 175.269 175.510 0.048 0.000 1.048 140 N CA -0.275 52.811 53.050 0.061 0.000 0.836 140 N CB 2.108 40.540 38.487 -0.090 0.000 1.269 140 N HN 0.819 nan 8.380 nan 0.000 0.486 141 T N -1.419 113.204 114.554 0.116 0.000 2.868 141 T HA 0.359 4.710 4.350 0.001 0.000 0.292 141 T C 0.450 175.175 174.700 0.041 0.000 1.028 141 T CA -0.671 61.484 62.100 0.092 0.000 1.059 141 T CB 0.359 69.322 68.868 0.158 0.000 0.991 141 T HN 0.261 nan 8.240 nan 0.000 0.531 142 S N 1.257 116.956 115.700 -0.002 0.000 2.558 142 S HA 0.101 4.572 4.470 0.001 0.000 0.288 142 S C 1.446 176.020 174.600 -0.044 0.000 1.318 142 S CA -0.694 57.444 58.200 -0.104 0.000 1.056 142 S CB 0.091 63.184 63.200 -0.179 0.000 0.853 142 S HN 0.610 nan 8.310 nan 0.000 0.505 143 L N 1.117 122.281 121.223 -0.099 0.000 2.270 143 L HA 0.199 4.540 4.340 0.001 0.000 0.210 143 L C 0.189 177.179 176.870 0.200 0.000 1.104 143 L CA 0.663 55.554 54.840 0.086 0.000 0.804 143 L CB -0.236 41.920 42.059 0.163 0.000 0.937 143 L HN 0.711 nan 8.230 nan 0.000 0.450 144 F N -2.606 117.387 119.950 0.070 0.000 2.662 144 F HA 0.543 5.071 4.527 0.001 0.000 0.312 144 F C -0.522 175.316 175.800 0.063 0.000 1.113 144 F CA -1.525 56.512 58.000 0.061 0.000 0.951 144 F CB 0.789 39.819 39.000 0.050 0.000 1.344 144 F HN -0.254 nan 8.300 nan 0.000 0.462 145 E N 1.823 122.132 120.200 0.181 0.000 2.331 145 E HA 0.303 4.653 4.350 0.001 0.000 0.272 145 E C -2.557 174.232 176.600 0.314 0.000 1.036 145 E CA -1.876 54.596 56.400 0.120 0.000 0.864 145 E CB 0.396 30.098 29.700 0.004 0.000 1.035 145 E HN 0.292 nan 8.360 nan 0.000 0.408 146 P HA -0.007 nan 4.420 nan 0.000 0.258 146 P C -2.390 175.165 177.300 0.424 0.000 1.187 146 P CA -0.719 62.628 63.100 0.412 0.000 0.767 146 P CB -0.288 31.620 31.700 0.347 0.000 0.770 147 P HA 0.130 nan 4.420 nan 0.000 0.269 147 P C -2.414 175.140 177.300 0.423 0.000 1.215 147 P CA -1.405 61.883 63.100 0.313 0.000 0.780 147 P CB -0.576 31.284 31.700 0.266 0.000 0.898 148 P HA 0.286 nan 4.420 nan 0.000 0.276 148 P C -2.625 174.968 177.300 0.488 0.000 1.252 148 P CA -2.244 61.207 63.100 0.585 0.000 0.802 148 P CB -0.995 31.110 31.700 0.675 0.000 1.035 149 P HA 0.014 nan 4.420 nan 0.000 0.258 149 P C 1.057 178.514 177.300 0.261 0.000 1.172 149 P CA 1.662 64.926 63.100 0.272 0.000 0.762 149 P CB -0.547 31.267 31.700 0.190 0.000 0.764 150 G N 2.350 111.238 108.800 0.146 0.000 2.195 150 G HA2 -0.311 3.650 3.960 0.001 0.000 0.246 150 G HA3 -0.311 3.650 3.960 0.001 0.000 0.246 150 G C 0.356 175.173 174.900 -0.139 0.000 0.984 150 G CA -0.273 44.814 45.100 -0.022 0.000 0.633 150 G HN 0.507 nan 8.290 nan 0.000 0.525 151 Y N 0.643 120.995 120.300 0.088 0.000 2.636 151 Y HA 0.436 4.986 4.550 0.001 0.000 0.260 151 Y C 1.899 177.874 175.900 0.124 0.000 1.177 151 Y CA 0.411 58.562 58.100 0.085 0.000 1.209 151 Y CB 0.629 39.129 38.460 0.067 0.000 1.166 151 Y HN 0.353 nan 8.280 nan 0.000 0.531 152 E N -0.304 120.019 120.200 0.205 0.000 2.427 152 E HA -0.099 4.252 4.350 0.001 0.000 0.196 152 E C 1.313 177.971 176.600 0.096 0.000 1.028 152 E CA 0.536 57.027 56.400 0.152 0.000 0.864 152 E CB 0.022 29.799 29.700 0.128 0.000 0.813 152 E HN 0.211 nan 8.360 nan 0.000 0.514 153 N N -0.103 118.649 118.700 0.087 0.000 2.270 153 N HA 0.046 4.786 4.740 0.001 0.000 0.198 153 N C -0.319 175.240 175.510 0.083 0.000 1.117 153 N CA 0.041 53.127 53.050 0.060 0.000 0.845 153 N CB 0.544 39.051 38.487 0.035 0.000 0.980 153 N HN 0.088 nan 8.380 nan 0.000 0.486 154 V N 0.918 120.923 119.914 0.152 0.000 2.521 154 V HA 0.294 4.415 4.120 0.001 0.000 0.286 154 V C 0.764 176.920 176.094 0.104 0.000 1.034 154 V CA -0.263 62.149 62.300 0.187 0.000 1.045 154 V CB 0.094 32.165 31.823 0.413 0.000 0.974 154 V HN 0.315 nan 8.190 nan 0.000 0.480 155 S N 3.299 119.031 115.700 0.054 0.000 2.646 155 S HA 0.519 4.990 4.470 0.001 0.000 0.276 155 S C 0.128 174.719 174.600 -0.014 0.000 1.222 155 S CA 0.296 58.501 58.200 0.008 0.000 1.014 155 S CB 1.271 64.468 63.200 -0.005 0.000 0.991 155 S HN 1.060 nan 8.310 nan 0.000 0.533 156 D N -0.331 120.049 120.400 -0.034 0.000 2.947 156 D HA -0.135 4.506 4.640 0.001 0.000 0.224 156 D C -0.638 175.623 176.300 -0.064 0.000 1.132 156 D CA 0.554 54.524 54.000 -0.050 0.000 0.801 156 D CB -1.627 39.139 40.800 -0.058 0.000 1.097 156 D HN 0.656 nan 8.370 nan 0.000 0.431 157 I N 1.275 121.812 120.570 -0.056 0.000 2.421 157 I HA 0.039 4.209 4.170 0.001 0.000 0.291 157 I C 1.142 177.253 176.117 -0.009 0.000 1.089 157 I CA -0.144 61.114 61.300 -0.069 0.000 1.354 157 I CB 1.116 39.091 38.000 -0.042 0.000 1.413 157 I HN -0.146 nan 8.210 nan 0.000 0.513 158 V N 10.482 130.414 119.914 0.030 0.000 2.529 158 V HA 0.129 4.249 4.120 0.001 0.000 0.292 158 V C -1.571 174.582 176.094 0.098 0.000 1.028 158 V CA -1.238 61.109 62.300 0.078 0.000 1.074 158 V CB 0.787 32.733 31.823 0.205 0.000 0.958 158 V HN 0.585 nan 8.190 nan 0.000 0.481 159 P HA 0.222 nan 4.420 nan 0.000 0.270 159 P C -2.769 174.642 177.300 0.184 0.000 1.223 159 P CA -1.541 61.644 63.100 0.141 0.000 0.785 159 P CB -0.341 31.452 31.700 0.156 0.000 0.923 160 P HA 0.094 nan 4.420 nan 0.000 0.262 160 P C -0.702 176.723 177.300 0.209 0.000 1.182 160 P CA 0.853 63.995 63.100 0.071 0.000 0.761 160 P CB -0.206 31.480 31.700 -0.023 0.000 0.795 161 F N -0.802 119.026 119.950 -0.202 0.000 2.719 161 F HA 0.541 5.069 4.527 0.001 0.000 0.309 161 F C -1.170 174.482 175.800 -0.247 0.000 1.138 161 F CA -1.012 56.912 58.000 -0.127 0.000 0.943 161 F CB 0.941 39.951 39.000 0.017 0.000 1.304 161 F HN -0.070 nan 8.300 nan 0.000 0.445 162 S N 2.345 117.889 115.700 -0.260 0.000 2.415 162 S HA 0.632 5.103 4.470 0.001 0.000 0.313 162 S C 0.088 174.494 174.600 -0.323 0.000 1.067 162 S CA -0.362 57.626 58.200 -0.353 0.000 1.099 162 S CB 0.641 63.770 63.200 -0.117 0.000 0.991 162 S HN 0.911 nan 8.310 nan 0.000 0.491 163 A N 2.626 125.041 122.820 -0.674 0.000 2.548 163 A HA 0.478 4.799 4.320 0.001 0.000 0.247 163 A C 0.386 178.007 177.584 0.061 0.000 1.067 163 A CA 0.269 52.112 52.037 -0.323 0.000 0.757 163 A CB -0.854 17.960 19.000 -0.310 0.000 0.996 163 A HN 0.964 nan 8.150 nan 0.000 0.504 164 F N 0.209 120.260 119.950 0.167 0.000 2.255 164 F HA -0.191 4.336 4.527 0.001 0.000 0.393 164 F C 1.158 177.010 175.800 0.086 0.000 0.566 164 F CA 0.862 58.937 58.000 0.123 0.000 1.777 164 F CB -1.962 37.097 39.000 0.097 0.000 2.402 164 F HN 0.661 nan 8.300 nan 0.000 0.264 165 S N 3.179 118.995 115.700 0.194 0.000 2.573 165 S HA 0.227 4.697 4.470 0.001 0.000 0.297 165 S C -1.283 173.395 174.600 0.131 0.000 1.280 165 S CA -0.688 57.593 58.200 0.136 0.000 1.061 165 S CB 0.587 63.858 63.200 0.117 0.000 0.812 165 S HN 0.162 nan 8.310 nan 0.000 0.500 166 P HA 0.148 nan 4.420 nan 0.000 0.274 166 P C -0.862 176.478 177.300 0.067 0.000 1.256 166 P CA -0.450 62.701 63.100 0.085 0.000 0.795 166 P CB 0.419 32.157 31.700 0.062 0.000 1.038 167 Q N -0.510 119.331 119.800 0.068 0.000 2.340 167 Q HA 0.586 4.926 4.340 0.001 0.000 0.249 167 Q C 0.429 176.447 176.000 0.030 0.000 0.957 167 Q CA -0.016 55.826 55.803 0.065 0.000 0.882 167 Q CB 0.771 29.571 28.738 0.104 0.000 1.235 167 Q HN 0.753 nan 8.270 nan 0.000 0.439 168 G N 0.751 109.545 108.800 -0.010 0.000 2.338 168 G HA2 0.367 4.328 3.960 0.001 0.000 0.295 168 G HA3 0.367 4.328 3.960 0.001 0.000 0.295 168 G C -1.107 173.719 174.900 -0.123 0.000 1.461 168 G CA -0.849 44.228 45.100 -0.038 0.000 0.817 168 G HN 0.501 nan 8.290 nan 0.000 0.556 169 M N 1.897 121.421 119.600 -0.128 0.000 3.402 169 M HA 0.233 4.714 4.480 0.001 0.000 0.372 169 M C -2.544 173.635 176.300 -0.201 0.000 1.610 169 M CA -1.108 54.050 55.300 -0.238 0.000 0.650 169 M CB 1.560 34.044 32.600 -0.193 0.000 1.421 169 M HN 0.310 nan 8.290 nan 0.000 0.493 170 P HA 0.101 nan 4.420 nan 0.000 0.268 170 P C -1.003 176.228 177.300 -0.116 0.000 1.204 170 P CA 0.447 63.483 63.100 -0.106 0.000 0.768 170 P CB 0.719 32.375 31.700 -0.074 0.000 0.842 171 E N 0.921 121.074 120.200 -0.078 0.000 2.227 171 E HA 0.748 5.098 4.350 0.001 0.000 0.268 171 E C 0.141 176.717 176.600 -0.041 0.000 0.907 171 E CA -0.979 55.386 56.400 -0.058 0.000 0.786 171 E CB 2.086 31.762 29.700 -0.040 0.000 1.191 171 E HN 0.674 nan 8.360 nan 0.000 0.411 172 G N 1.508 110.284 108.800 -0.039 0.000 2.321 172 G HA2 0.123 4.084 3.960 0.001 0.000 0.296 172 G HA3 0.123 4.084 3.960 0.001 0.000 0.296 172 G C -1.711 173.142 174.900 -0.079 0.000 1.287 172 G CA -0.841 44.231 45.100 -0.046 0.000 0.846 172 G HN 0.409 nan 8.290 nan 0.000 0.508 173 D N 0.057 120.396 120.400 -0.102 0.000 2.225 173 D HA 0.508 5.148 4.640 0.001 0.000 0.249 173 D C 0.021 176.222 176.300 -0.165 0.000 1.052 173 D CA -0.292 53.594 54.000 -0.191 0.000 0.909 173 D CB 2.198 42.896 40.800 -0.171 0.000 1.186 173 D HN 0.108 nan 8.370 nan 0.000 0.431 174 L N 1.497 122.569 121.223 -0.252 0.000 2.417 174 L HA 0.239 4.580 4.340 0.001 0.000 0.268 174 L C -0.147 176.689 176.870 -0.057 0.000 1.158 174 L CA -0.197 54.569 54.840 -0.123 0.000 0.819 174 L CB 1.226 43.216 42.059 -0.115 0.000 1.112 174 L HN 0.130 nan 8.230 nan 0.000 0.458 175 V N 2.991 122.921 119.914 0.027 0.000 2.709 175 V HA 0.319 4.440 4.120 0.001 0.000 0.308 175 V C -1.203 174.982 176.094 0.151 0.000 1.062 175 V CA -0.957 61.391 62.300 0.080 0.000 0.901 175 V CB 1.656 33.516 31.823 0.063 0.000 1.003 175 V HN 0.554 nan 8.190 nan 0.000 0.425 176 Y N 4.573 124.919 120.300 0.076 0.000 2.331 176 Y HA 0.606 5.156 4.550 0.001 0.000 0.338 176 Y C 0.424 176.399 175.900 0.124 0.000 0.992 176 Y CA -0.779 57.382 58.100 0.102 0.000 1.121 176 Y CB 1.982 40.539 38.460 0.163 0.000 1.184 176 Y HN 0.444 nan 8.280 nan 0.000 0.469 177 V N 2.901 122.424 119.914 -0.653 0.000 3.006 177 V HA 0.343 4.464 4.120 0.001 0.000 0.357 177 V C 0.539 175.850 176.094 -1.305 0.000 1.377 177 V CA 0.200 62.033 62.300 -0.777 0.000 1.198 177 V CB -1.170 30.215 31.823 -0.730 0.000 1.216 177 V HN 0.988 nan 8.190 nan 0.000 0.520 178 N N 1.465 118.994 118.700 -1.953 0.000 1.222 178 N HA -0.333 4.408 4.740 0.001 0.000 0.134 178 N C 0.331 175.268 175.510 -0.955 0.000 0.787 178 N CA 2.560 54.632 53.050 -1.631 0.000 0.929 178 N CB -1.381 35.771 38.487 -2.225 0.000 1.170 178 N HN 0.428 nan 8.380 nan 0.000 0.541 179 Y N 1.264 121.221 120.300 -0.572 0.000 2.490 179 Y HA 0.471 5.022 4.550 0.001 0.000 0.281 179 Y C 1.682 177.451 175.900 -0.218 0.000 1.174 179 Y CA 1.173 59.092 58.100 -0.302 0.000 1.295 179 Y CB -0.483 37.850 38.460 -0.212 0.000 1.062 179 Y HN 0.636 nan 8.280 nan 0.000 0.522 180 A N 0.294 123.010 122.820 -0.174 0.000 2.826 180 A HA -0.307 4.014 4.320 0.001 0.000 0.274 180 A C 0.820 178.533 177.584 0.216 0.000 1.443 180 A CA 0.643 52.694 52.037 0.024 0.000 0.833 180 A CB -2.113 16.969 19.000 0.135 0.000 1.023 180 A HN 0.510 nan 8.150 nan 0.000 0.600 181 R N -0.837 119.721 120.500 0.097 0.000 2.784 181 R HA 0.288 4.628 4.340 0.001 0.000 0.266 181 R C 1.690 178.075 176.300 0.142 0.000 1.044 181 R CA 0.370 56.525 56.100 0.092 0.000 1.151 181 R CB 0.115 30.432 30.300 0.029 0.000 1.037 181 R HN 0.414 nan 8.270 nan 0.000 0.478 182 T N 1.631 116.202 114.554 0.029 0.000 2.699 182 T HA -0.197 4.154 4.350 0.001 0.000 0.268 182 T C 1.596 176.074 174.700 -0.369 0.000 1.036 182 T CA 1.957 63.964 62.100 -0.156 0.000 1.147 182 T CB -0.133 68.594 68.868 -0.234 0.000 0.862 182 T HN 0.699 nan 8.240 nan 0.000 0.446 183 E N 1.335 121.424 120.200 -0.185 0.000 2.208 183 E HA -0.146 4.205 4.350 0.001 0.000 0.193 183 E C 1.346 178.052 176.600 0.177 0.000 0.988 183 E CA 1.044 57.438 56.400 -0.010 0.000 0.828 183 E CB -0.338 29.432 29.700 0.117 0.000 0.763 183 E HN 0.424 nan 8.360 nan 0.000 0.478 184 D N 0.744 121.220 120.400 0.127 0.000 2.117 184 D HA -0.101 4.539 4.640 0.001 0.000 0.197 184 D C 1.815 178.219 176.300 0.174 0.000 0.987 184 D CA 0.942 55.028 54.000 0.144 0.000 0.829 184 D CB -0.497 40.156 40.800 -0.245 0.000 0.961 184 D HN 0.222 nan 8.370 nan 0.000 0.460 185 F N 0.174 120.198 119.950 0.125 0.000 2.234 185 F HA -0.113 4.415 4.527 0.001 0.000 0.299 185 F C 2.204 178.188 175.800 0.308 0.000 1.087 185 F CA 0.449 58.552 58.000 0.172 0.000 1.340 185 F CB -0.237 38.821 39.000 0.096 0.000 1.031 185 F HN -0.123 nan 8.300 nan 0.000 0.500 186 F N 0.828 120.961 119.950 0.305 0.000 2.134 186 F HA -0.180 4.348 4.527 0.001 0.000 0.299 186 F C 2.398 178.291 175.800 0.155 0.000 1.097 186 F CA 1.220 59.341 58.000 0.201 0.000 1.264 186 F CB -1.273 37.825 39.000 0.163 0.000 1.001 186 F HN -0.067 nan 8.300 nan 0.000 0.479 187 K N 0.222 120.842 120.400 0.366 0.000 1.985 187 K HA -0.146 4.174 4.320 0.001 0.000 0.210 187 K C 2.242 178.907 176.600 0.109 0.000 1.047 187 K CA 1.531 57.940 56.287 0.203 0.000 0.932 187 K CB -0.453 32.171 32.500 0.206 0.000 0.716 187 K HN 0.007 nan 8.250 nan 0.000 0.439 188 L N 0.724 122.031 121.223 0.141 0.000 1.980 188 L HA -0.294 4.047 4.340 0.001 0.000 0.232 188 L C 3.018 179.953 176.870 0.108 0.000 1.092 188 L CA 2.798 57.695 54.840 0.095 0.000 0.808 188 L CB -1.905 40.228 42.059 0.123 0.000 0.908 188 L HN 0.807 nan 8.230 nan 0.000 0.442 189 E N -1.412 118.896 120.200 0.179 0.000 2.274 189 E HA -0.161 4.189 4.350 0.001 0.000 0.194 189 E C 2.145 178.801 176.600 0.093 0.000 0.996 189 E CA 1.290 57.777 56.400 0.146 0.000 0.840 189 E CB -0.379 29.437 29.700 0.194 0.000 0.772 189 E HN 0.706 nan 8.360 nan 0.000 0.491 190 R N -0.612 119.942 120.500 0.090 0.000 2.087 190 R HA 0.083 4.424 4.340 0.001 0.000 0.213 190 R C 1.730 178.039 176.300 0.016 0.000 1.137 190 R CA 0.972 57.092 56.100 0.032 0.000 1.022 190 R CB 0.252 30.549 30.300 -0.005 0.000 0.920 190 R HN 0.311 nan 8.270 nan 0.000 0.451 191 D N 0.522 120.935 120.400 0.021 0.000 2.154 191 D HA -0.049 4.592 4.640 0.001 0.000 0.211 191 D C 1.752 178.042 176.300 -0.016 0.000 0.977 191 D CA 1.336 55.334 54.000 -0.004 0.000 0.869 191 D CB -0.044 40.748 40.800 -0.013 0.000 1.022 191 D HN 0.071 nan 8.370 nan 0.000 0.461 192 M N 0.134 119.717 119.600 -0.028 0.000 2.619 192 M HA 0.048 4.529 4.480 0.001 0.000 0.251 192 M C 1.274 177.566 176.300 -0.013 0.000 1.106 192 M CA 0.861 56.136 55.300 -0.042 0.000 1.086 192 M CB -0.202 32.345 32.600 -0.087 0.000 1.465 192 M HN 0.094 nan 8.290 nan 0.000 0.506 193 K N -0.577 119.828 120.400 0.009 0.000 3.048 193 K HA -0.181 4.140 4.320 0.001 0.000 0.274 193 K C -0.080 176.536 176.600 0.027 0.000 1.098 193 K CA 1.338 57.638 56.287 0.021 0.000 0.807 193 K CB -3.305 29.202 32.500 0.012 0.000 1.217 193 K HN 0.634 nan 8.250 nan 0.000 0.477 194 I N 0.494 121.081 120.570 0.030 0.000 2.588 194 I HA 0.661 4.832 4.170 0.001 0.000 0.283 194 I C 0.356 176.513 176.117 0.066 0.000 1.119 194 I CA -0.174 61.148 61.300 0.038 0.000 1.419 194 I CB 0.997 39.015 38.000 0.030 0.000 1.394 194 I HN 0.813 nan 8.210 nan 0.000 0.562 195 N N 3.652 122.389 118.700 0.062 0.000 2.407 195 N HA 0.388 5.128 4.740 0.001 0.000 0.277 195 N C 0.001 175.559 175.510 0.081 0.000 0.995 195 N CA -0.400 52.695 53.050 0.075 0.000 0.903 195 N CB 1.631 40.151 38.487 0.054 0.000 1.218 195 N HN 0.633 nan 8.380 nan 0.000 0.487 196 C N 1.367 120.737 119.300 0.117 0.000 2.626 196 C HA 0.253 4.714 4.460 0.001 0.000 0.266 196 C C 1.267 176.308 174.990 0.086 0.000 1.317 196 C CA -0.311 58.779 59.018 0.120 0.000 1.716 196 C CB -1.787 26.079 27.740 0.210 0.000 1.819 196 C HN 0.794 nan 8.230 nan 0.000 0.578 197 S N 0.468 116.208 115.700 0.067 0.000 2.558 197 S HA 0.352 4.822 4.470 0.001 0.000 0.288 197 S C 1.504 176.122 174.600 0.030 0.000 1.318 197 S CA 1.160 59.387 58.200 0.044 0.000 1.056 197 S CB 0.125 63.346 63.200 0.036 0.000 0.853 197 S HN 1.103 nan 8.310 nan 0.000 0.505 198 G N 2.933 111.745 108.800 0.021 0.000 2.230 198 G HA2 -0.279 3.682 3.960 0.001 0.000 0.270 198 G HA3 -0.279 3.682 3.960 0.001 0.000 0.270 198 G C 0.314 175.218 174.900 0.006 0.000 0.987 198 G CA 0.997 46.103 45.100 0.010 0.000 0.664 198 G HN 0.860 nan 8.290 nan 0.000 0.539 199 K N -0.932 119.478 120.400 0.017 0.000 2.179 199 K HA 0.757 5.078 4.320 0.001 0.000 0.238 199 K C 0.508 177.118 176.600 0.016 0.000 1.033 199 K CA -0.361 55.933 56.287 0.011 0.000 0.926 199 K CB 1.369 33.883 32.500 0.023 0.000 1.151 199 K HN 0.341 nan 8.250 nan 0.000 0.492 200 I N 1.299 121.874 120.570 0.008 0.000 2.389 200 I HA 0.256 4.427 4.170 0.001 0.000 0.288 200 I C -0.170 175.971 176.117 0.039 0.000 0.999 200 I CA -1.068 60.243 61.300 0.018 0.000 1.129 200 I CB 1.843 39.842 38.000 -0.001 0.000 1.288 200 I HN 0.444 nan 8.210 nan 0.000 0.444 201 V N 5.701 125.653 119.914 0.064 0.000 2.583 201 V HA 0.461 4.582 4.120 0.001 0.000 0.287 201 V C -0.144 175.994 176.094 0.074 0.000 1.051 201 V CA -0.359 61.986 62.300 0.075 0.000 1.010 201 V CB 1.529 33.418 31.823 0.110 0.000 0.988 201 V HN 0.663 nan 8.190 nan 0.000 0.478 202 I N 4.766 125.399 120.570 0.105 0.000 2.385 202 I HA 0.799 4.969 4.170 0.001 0.000 0.294 202 I C 0.257 176.471 176.117 0.161 0.000 0.988 202 I CA -0.253 61.139 61.300 0.153 0.000 1.265 202 I CB 1.215 39.335 38.000 0.200 0.000 1.388 202 I HN 1.078 nan 8.210 nan 0.000 0.480 203 A N 7.301 130.197 122.820 0.126 0.000 2.422 203 A HA 0.672 4.993 4.320 0.001 0.000 0.302 203 A C -0.896 176.656 177.584 -0.053 0.000 1.041 203 A CA -0.891 51.126 52.037 -0.033 0.000 0.708 203 A CB 1.215 20.152 19.000 -0.104 0.000 1.257 203 A HN 0.814 nan 8.150 nan 0.000 0.414 204 R N 1.356 121.737 120.500 -0.198 0.000 2.490 204 R HA 0.530 4.871 4.340 0.001 0.000 0.278 204 R C -0.965 175.265 176.300 -0.117 0.000 1.069 204 R CA -0.428 55.383 56.100 -0.483 0.000 1.080 204 R CB 0.546 30.485 30.300 -0.603 0.000 1.030 204 R HN 0.644 nan 8.270 nan 0.000 0.491 205 Y N 0.559 120.825 120.300 -0.057 0.000 2.426 205 Y HA 0.327 4.878 4.550 0.001 0.000 0.344 205 Y C 1.286 177.410 175.900 0.372 0.000 1.256 205 Y CA 1.222 59.406 58.100 0.140 0.000 1.451 205 Y CB 1.228 39.727 38.460 0.064 0.000 1.342 205 Y HN 0.995 nan 8.280 nan 0.000 0.600 206 G N 1.751 110.855 108.800 0.506 0.000 2.525 206 G HA2 0.083 4.044 3.960 0.001 0.000 0.685 206 G HA3 0.083 4.044 3.960 0.001 0.000 0.685 206 G C -0.386 174.474 174.900 -0.067 0.000 1.285 206 G CA -0.463 44.756 45.100 0.197 0.000 0.849 206 G HN 0.526 nan 8.290 nan 0.000 0.653 207 K N -3.257 117.030 120.400 -0.188 0.000 4.998 207 K HA -0.245 4.075 4.320 0.001 0.000 0.444 207 K C 1.038 177.619 176.600 -0.032 0.000 0.393 207 K CA 2.911 59.051 56.287 -0.245 0.000 1.908 207 K CB -2.458 29.718 32.500 -0.539 0.000 0.757 207 K HN 2.350 nan 8.250 nan 0.000 0.588 208 V N -1.933 118.006 119.914 0.043 0.000 3.040 208 V HA 0.743 4.864 4.120 0.001 0.000 0.312 208 V C 0.116 176.295 176.094 0.142 0.000 1.115 208 V CA -1.080 61.284 62.300 0.106 0.000 0.998 208 V CB 1.994 33.844 31.823 0.045 0.000 1.042 208 V HN 0.194 nan 8.190 nan 0.000 0.433 209 F N 4.096 123.935 119.950 -0.186 0.000 2.608 209 F HA 0.350 4.878 4.527 0.001 0.000 0.380 209 F C 1.798 177.530 175.800 -0.113 0.000 1.083 209 F CA 0.220 57.963 58.000 -0.429 0.000 1.266 209 F CB 0.993 39.500 39.000 -0.821 0.000 1.076 209 F HN 0.863 nan 8.300 nan 0.000 0.574 210 R N 3.521 123.603 120.500 -0.697 0.000 2.152 210 R HA -0.032 4.309 4.340 0.001 0.000 0.232 210 R C 1.863 177.750 176.300 -0.689 0.000 1.117 210 R CA 1.261 57.087 56.100 -0.457 0.000 0.981 210 R CB -1.243 28.990 30.300 -0.111 0.000 0.870 210 R HN 0.791 nan 8.270 nan 0.000 0.451 211 G N 1.326 109.225 108.800 -1.502 0.000 2.440 211 G HA2 -0.317 3.644 3.960 0.001 0.000 0.218 211 G HA3 -0.317 3.644 3.960 0.001 0.000 0.218 211 G C 0.931 175.674 174.900 -0.262 0.000 1.154 211 G CA 1.115 45.794 45.100 -0.703 0.000 0.767 211 G HN 0.449 nan 8.290 nan 0.000 0.552 212 N N 0.498 119.085 118.700 -0.188 0.000 2.120 212 N HA -0.055 4.686 4.740 0.001 0.000 0.188 212 N C 2.137 177.606 175.510 -0.067 0.000 1.024 212 N CA 1.365 54.382 53.050 -0.055 0.000 0.852 212 N CB -0.121 38.374 38.487 0.013 0.000 1.003 212 N HN 0.347 nan 8.380 nan 0.000 0.424 213 K N 0.427 120.783 120.400 -0.072 0.000 2.001 213 K HA -0.133 4.188 4.320 0.001 0.000 0.214 213 K C 1.922 178.504 176.600 -0.030 0.000 1.050 213 K CA 1.378 57.659 56.287 -0.010 0.000 0.934 213 K CB -0.616 31.869 32.500 -0.024 0.000 0.718 213 K HN 0.002 nan 8.250 nan 0.000 0.443 214 V N 2.108 121.972 119.914 -0.083 0.000 2.392 214 V HA -0.282 3.838 4.120 0.001 0.000 0.249 214 V C 2.471 178.519 176.094 -0.076 0.000 1.059 214 V CA 1.834 64.093 62.300 -0.068 0.000 1.051 214 V CB -0.497 31.277 31.823 -0.081 0.000 0.658 214 V HN 0.372 nan 8.190 nan 0.000 0.455 215 K N 0.169 120.515 120.400 -0.089 0.000 2.025 215 K HA -0.203 4.118 4.320 0.001 0.000 0.207 215 K C 2.058 178.562 176.600 -0.159 0.000 1.049 215 K CA 1.736 57.965 56.287 -0.097 0.000 0.933 215 K CB -0.193 32.261 32.500 -0.077 0.000 0.714 215 K HN 0.436 nan 8.250 nan 0.000 0.438 216 N N 1.101 119.677 118.700 -0.207 0.000 2.104 216 N HA -0.183 4.558 4.740 0.001 0.000 0.190 216 N C 1.702 176.764 175.510 -0.747 0.000 1.024 216 N CA 1.563 54.343 53.050 -0.451 0.000 0.853 216 N CB -0.553 37.696 38.487 -0.395 0.000 1.008 216 N HN 0.326 nan 8.380 nan 0.000 0.424 217 A N 1.006 123.583 122.820 -0.406 0.000 1.877 217 A HA -0.190 4.131 4.320 0.001 0.000 0.216 217 A C 2.194 179.695 177.584 -0.138 0.000 1.186 217 A CA 1.425 53.363 52.037 -0.164 0.000 0.620 217 A CB -0.741 18.308 19.000 0.081 0.000 0.822 217 A HN 0.321 nan 8.150 nan 0.000 0.443 218 Q N -0.678 119.053 119.800 -0.115 0.000 2.077 218 Q HA -0.156 4.184 4.340 0.001 0.000 0.206 218 Q C 2.038 177.985 176.000 -0.089 0.000 0.989 218 Q CA 1.691 57.448 55.803 -0.076 0.000 0.853 218 Q CB -0.277 28.422 28.738 -0.064 0.000 0.907 218 Q HN 0.701 nan 8.270 nan 0.000 0.418 219 L N -0.583 120.556 121.223 -0.141 0.000 2.291 219 L HA -0.060 4.281 4.340 0.001 0.000 0.214 219 L C 2.024 178.833 176.870 -0.102 0.000 1.120 219 L CA 0.489 55.263 54.840 -0.110 0.000 0.799 219 L CB -0.255 41.734 42.059 -0.116 0.000 0.925 219 L HN 0.159 nan 8.230 nan 0.000 0.446 220 A N -0.501 122.215 122.820 -0.172 0.000 2.235 220 A HA 0.277 4.598 4.320 0.001 0.000 0.208 220 A C 1.788 179.388 177.584 0.028 0.000 1.172 220 A CA 0.795 52.798 52.037 -0.057 0.000 0.786 220 A CB -0.460 18.507 19.000 -0.056 0.000 0.804 220 A HN 0.522 nan 8.150 nan 0.000 0.479 221 G N -1.772 107.030 108.800 0.003 0.000 2.195 221 G HA2 0.058 4.018 3.960 0.001 0.000 0.246 221 G HA3 0.058 4.018 3.960 0.001 0.000 0.246 221 G C 0.644 175.561 174.900 0.028 0.000 0.984 221 G CA 0.309 45.421 45.100 0.020 0.000 0.633 221 G HN 1.711 nan 8.290 nan 0.000 0.525 222 A N 0.139 122.986 122.820 0.044 0.000 2.615 222 A HA 0.445 4.766 4.320 0.001 0.000 0.230 222 A C 1.467 179.065 177.584 0.023 0.000 1.062 222 A CA 1.946 54.012 52.037 0.049 0.000 0.758 222 A CB 0.220 19.268 19.000 0.080 0.000 0.995 222 A HN 1.748 nan 8.150 nan 0.000 0.511 223 K N 0.837 121.247 120.400 0.017 0.000 2.374 223 K HA 0.512 4.832 4.320 0.001 0.000 0.202 223 K C 0.564 177.163 176.600 -0.002 0.000 1.040 223 K CA 0.505 56.794 56.287 0.003 0.000 1.085 223 K CB -0.181 32.316 32.500 -0.005 0.000 0.873 223 K HN 2.192 nan 8.250 nan 0.000 0.539 224 G N -0.441 108.363 108.800 0.007 0.000 2.601 224 G HA2 0.527 4.487 3.960 0.001 0.000 0.291 224 G HA3 0.527 4.487 3.960 0.001 0.000 0.291 224 G C -1.824 173.089 174.900 0.021 0.000 1.456 224 G CA -0.407 44.696 45.100 0.004 0.000 0.804 224 G HN 0.281 nan 8.290 nan 0.000 0.499 225 V N 0.494 120.420 119.914 0.019 0.000 2.808 225 V HA 0.589 4.710 4.120 0.001 0.000 0.308 225 V C -0.601 175.505 176.094 0.020 0.000 1.099 225 V CA -0.577 61.736 62.300 0.021 0.000 0.920 225 V CB 1.848 33.674 31.823 0.004 0.000 1.014 225 V HN 0.703 nan 8.190 nan 0.000 0.425 226 I N 4.894 125.481 120.570 0.028 0.000 2.436 226 I HA 0.519 4.690 4.170 0.001 0.000 0.289 226 I C -0.841 175.276 176.117 0.000 0.000 1.010 226 I CA -0.440 60.884 61.300 0.039 0.000 1.098 226 I CB 1.877 39.927 38.000 0.083 0.000 1.266 226 I HN 0.346 nan 8.210 nan 0.000 0.434 227 L N 6.999 128.156 121.223 -0.110 0.000 2.334 227 L HA 0.590 4.931 4.340 0.001 0.000 0.276 227 L C -0.996 175.763 176.870 -0.185 0.000 1.014 227 L CA -0.820 53.816 54.840 -0.340 0.000 0.815 227 L CB 1.619 43.198 42.059 -0.800 0.000 1.268 227 L HN 0.538 nan 8.230 nan 0.000 0.428 228 Y N -0.449 119.692 120.300 -0.266 0.000 2.597 228 Y HA 0.580 5.130 4.550 0.001 0.000 0.340 228 Y C -0.987 175.002 175.900 0.149 0.000 1.097 228 Y CA -1.169 56.917 58.100 -0.024 0.000 1.037 228 Y CB 1.467 39.966 38.460 0.064 0.000 1.305 228 Y HN 0.343 nan 8.280 nan 0.000 0.463 229 S N 2.851 118.663 115.700 0.185 0.000 2.399 229 S HA 0.110 4.581 4.470 0.001 0.000 0.301 229 S C -0.840 173.983 174.600 0.371 0.000 1.093 229 S CA -0.627 57.673 58.200 0.168 0.000 1.077 229 S CB 0.032 63.256 63.200 0.040 0.000 0.980 229 S HN 0.645 nan 8.310 nan 0.000 0.494 230 D N 3.349 123.857 120.400 0.179 0.000 2.304 230 D HA 0.160 4.800 4.640 0.001 0.000 0.250 230 D C -1.660 174.781 176.300 0.236 0.000 1.107 230 D CA -1.997 52.180 54.000 0.295 0.000 0.885 230 D CB 1.518 42.420 40.800 0.170 0.000 1.192 230 D HN 0.134 nan 8.370 nan 0.000 0.436 231 P HA -0.089 nan 4.420 nan 0.000 0.222 231 P C 0.890 178.222 177.300 0.054 0.000 1.147 231 P CA 0.809 63.855 63.100 -0.091 0.000 0.790 231 P CB 0.161 31.552 31.700 -0.514 0.000 0.780 232 A N 0.131 122.972 122.820 0.034 0.000 1.978 232 A HA -0.204 4.117 4.320 0.001 0.000 0.220 232 A C 1.891 179.480 177.584 0.009 0.000 1.170 232 A CA 1.938 53.991 52.037 0.027 0.000 0.636 232 A CB -1.008 17.993 19.000 0.002 0.000 0.810 232 A HN 0.147 nan 8.150 nan 0.000 0.448 233 D N -2.566 117.826 120.400 -0.014 0.000 2.301 233 D HA 0.050 4.690 4.640 0.001 0.000 0.206 233 D C 0.249 176.256 176.300 -0.489 0.000 0.979 233 D CA 0.882 54.728 54.000 -0.257 0.000 0.874 233 D CB 0.018 40.636 40.800 -0.303 0.000 0.968 233 D HN 0.638 nan 8.370 nan 0.000 0.510 234 Y N -0.948 119.433 120.300 0.134 0.000 2.707 234 Y HA 0.258 4.809 4.550 0.001 0.000 0.249 234 Y C -0.417 175.605 175.900 0.203 0.000 1.166 234 Y CA -0.564 57.636 58.100 0.166 0.000 1.184 234 Y CB 0.681 39.258 38.460 0.195 0.000 1.240 234 Y HN -0.228 nan 8.280 nan 0.000 0.547 235 F N 1.410 121.406 119.950 0.078 0.000 2.810 235 F HA 0.724 5.251 4.527 0.001 0.000 0.373 235 F C -0.168 175.595 175.800 -0.062 0.000 1.174 235 F CA -1.349 56.651 58.000 0.000 0.000 1.141 235 F CB 0.353 39.311 39.000 -0.071 0.000 1.420 235 F HN -0.045 nan 8.300 nan 0.000 0.518 236 A N 6.326 128.940 122.820 -0.343 0.000 2.491 236 A HA 0.438 4.759 4.320 0.001 0.000 0.261 236 A C -2.398 175.009 177.584 -0.296 0.000 1.101 236 A CA -1.230 50.652 52.037 -0.258 0.000 0.772 236 A CB -0.525 18.296 19.000 -0.297 0.000 1.043 236 A HN 0.511 nan 8.150 nan 0.000 0.501 237 P HA 0.094 nan 4.420 nan 0.000 0.259 237 P C 1.079 178.322 177.300 -0.096 0.000 1.163 237 P CA 2.299 65.391 63.100 -0.014 0.000 0.760 237 P CB 0.330 32.034 31.700 0.006 0.000 0.762 238 G N 1.444 110.210 108.800 -0.056 0.000 2.143 238 G HA2 -0.156 3.805 3.960 0.001 0.000 0.249 238 G HA3 -0.156 3.805 3.960 0.001 0.000 0.249 238 G C 0.002 174.791 174.900 -0.184 0.000 0.981 238 G CA 0.027 45.080 45.100 -0.079 0.000 0.665 238 G HN 0.763 nan 8.290 nan 0.000 0.528 239 V N -2.731 116.963 119.914 -0.366 0.000 2.914 239 V HA 1.002 5.123 4.120 0.001 0.000 0.314 239 V C 0.073 175.847 176.094 -0.534 0.000 1.084 239 V CA 0.198 62.177 62.300 -0.536 0.000 0.963 239 V CB 1.639 32.890 31.823 -0.954 0.000 1.025 239 V HN 1.268 nan 8.190 nan 0.000 0.432 240 K N 2.599 122.751 120.400 -0.413 0.000 2.144 240 K HA 0.687 5.007 4.320 0.001 0.000 0.270 240 K C 0.442 176.860 176.600 -0.304 0.000 1.005 240 K CA 0.173 56.319 56.287 -0.235 0.000 0.932 240 K CB 0.711 33.132 32.500 -0.133 0.000 1.021 240 K HN 1.187 nan 8.250 nan 0.000 0.462 241 S N 0.372 116.028 115.700 -0.075 0.000 2.550 241 S HA 0.049 4.520 4.470 0.001 0.000 0.285 241 S C 0.169 174.727 174.600 -0.070 0.000 1.326 241 S CA -0.094 58.099 58.200 -0.012 0.000 1.037 241 S CB -0.188 63.083 63.200 0.119 0.000 0.838 241 S HN 0.537 nan 8.310 nan 0.000 0.519 242 Y N 4.291 124.495 120.300 -0.161 0.000 2.497 242 Y HA 0.196 4.747 4.550 0.001 0.000 0.334 242 Y C -1.192 174.644 175.900 -0.106 0.000 1.199 242 Y CA -1.449 56.583 58.100 -0.114 0.000 1.425 242 Y CB 0.601 39.001 38.460 -0.100 0.000 1.291 242 Y HN 0.418 nan 8.280 nan 0.000 0.562 243 P HA 0.056 nan 4.420 nan 0.000 0.257 243 P C -0.373 176.722 177.300 -0.342 0.000 1.281 243 P CA 0.671 63.161 63.100 -1.016 0.000 0.826 243 P CB 0.503 31.830 31.700 -0.623 0.000 1.237 244 D N -0.477 119.829 120.400 -0.156 0.000 2.389 244 D HA 0.175 4.815 4.640 0.001 0.000 0.206 244 D C 1.263 177.508 176.300 -0.092 0.000 1.055 244 D CA 0.541 54.550 54.000 0.016 0.000 0.856 244 D CB 1.169 41.966 40.800 -0.004 0.000 0.957 244 D HN 0.228 nan 8.370 nan 0.000 0.509 245 G N 0.094 108.625 108.800 -0.449 0.000 2.815 245 G HA2 0.293 4.254 3.960 0.001 0.000 0.305 245 G HA3 0.293 4.254 3.960 0.001 0.000 0.305 245 G C -0.840 173.600 174.900 -0.766 0.000 1.277 245 G CA -0.714 43.789 45.100 -0.995 0.000 0.795 245 G HN 0.112 nan 8.290 nan 0.000 0.528 246 W N 0.610 121.537 121.300 -0.622 0.000 3.102 246 W HA 0.419 5.080 4.660 0.001 0.000 0.401 246 W C -0.550 175.927 176.519 -0.069 0.000 1.070 246 W CA -0.816 56.400 57.345 -0.216 0.000 1.921 246 W CB -0.496 28.868 29.460 -0.160 0.000 1.118 246 W HN 0.054 nan 8.180 nan 0.000 0.647 247 N N 1.753 120.293 118.700 -0.266 0.000 2.493 247 N HA 0.173 4.914 4.740 0.001 0.000 0.275 247 N C -0.643 174.903 175.510 0.061 0.000 1.186 247 N CA -0.602 52.300 53.050 -0.247 0.000 0.978 247 N CB 1.450 39.434 38.487 -0.838 0.000 1.184 247 N HN -0.063 nan 8.380 nan 0.000 0.487 248 L N 3.712 125.062 121.223 0.211 0.000 2.418 248 L HA 0.315 4.656 4.340 0.001 0.000 0.274 248 L C -2.092 174.963 176.870 0.310 0.000 1.135 248 L CA -1.237 53.781 54.840 0.296 0.000 0.870 248 L CB 0.159 42.463 42.059 0.408 0.000 1.154 248 L HN 0.442 nan 8.230 nan 0.000 0.462 249 P HA 0.164 nan 4.420 nan 0.000 0.274 249 P C 0.528 177.510 177.300 -0.530 0.000 1.246 249 P CA -0.272 62.767 63.100 -0.101 0.000 0.795 249 P CB 0.569 32.146 31.700 -0.205 0.000 1.006 250 G N 0.463 108.553 108.800 -1.184 0.000 2.559 250 G HA2 -0.097 3.864 3.960 0.001 0.000 0.216 250 G HA3 -0.097 3.864 3.960 0.001 0.000 0.216 250 G C 1.387 175.520 174.900 -1.279 0.000 1.126 250 G CA 0.667 44.311 45.100 -2.427 0.000 0.778 250 G HN 0.643 nan 8.290 nan 0.000 0.543 251 G N 0.054 108.517 108.800 -0.561 0.000 2.838 251 G HA2 0.369 4.330 3.960 0.001 0.000 0.210 251 G HA3 0.369 4.330 3.960 0.001 0.000 0.210 251 G C 0.896 175.801 174.900 0.009 0.000 1.153 251 G CA 0.403 45.432 45.100 -0.119 0.000 0.778 251 G HN 0.563 nan 8.290 nan 0.000 0.539 252 G N -0.178 108.660 108.800 0.063 0.000 2.441 252 G HA2 0.427 4.388 3.960 0.001 0.000 0.243 252 G HA3 0.427 4.388 3.960 0.001 0.000 0.243 252 G C -0.906 174.023 174.900 0.050 0.000 1.281 252 G CA 0.018 45.255 45.100 0.227 0.000 0.854 252 G HN 0.251 nan 8.290 nan 0.000 0.560 253 V N 1.913 121.834 119.914 0.013 0.000 2.760 253 V HA 0.326 4.446 4.120 0.001 0.000 0.309 253 V C -0.114 175.912 176.094 -0.113 0.000 1.077 253 V CA -0.886 61.395 62.300 -0.033 0.000 0.910 253 V CB 1.907 33.705 31.823 -0.042 0.000 1.008 253 V HN 0.843 nan 8.190 nan 0.000 0.424 254 Q N 3.952 123.661 119.800 -0.152 0.000 2.337 254 Q HA 0.398 4.738 4.340 0.001 0.000 0.255 254 Q C -0.047 175.743 176.000 -0.350 0.000 0.997 254 Q CA -0.402 55.197 55.803 -0.341 0.000 0.925 254 Q CB 0.682 28.991 28.738 -0.715 0.000 1.212 254 Q HN 0.635 nan 8.270 nan 0.000 0.436 255 R N 1.608 121.801 120.500 -0.512 0.000 2.649 255 R HA 0.710 5.051 4.340 0.001 0.000 0.270 255 R C -0.055 175.722 176.300 -0.873 0.000 1.105 255 R CA 0.391 55.961 56.100 -0.883 0.000 1.193 255 R CB 0.986 30.428 30.300 -1.430 0.000 1.120 255 R HN 0.845 nan 8.270 nan 0.000 0.561 256 G N 0.285 108.466 108.800 -1.031 0.000 2.347 256 G HA2 0.020 3.981 3.960 0.001 0.000 0.303 256 G HA3 0.020 3.981 3.960 0.001 0.000 0.303 256 G C -1.693 173.036 174.900 -0.286 0.000 1.481 256 G CA -1.057 43.761 45.100 -0.471 0.000 0.914 256 G HN 0.736 nan 8.290 nan 0.000 0.638 257 N N -1.300 117.425 118.700 0.042 0.000 2.424 257 N HA 0.566 5.306 4.740 0.001 0.000 0.257 257 N C 0.979 176.540 175.510 0.086 0.000 1.250 257 N CA -0.152 52.968 53.050 0.116 0.000 0.946 257 N CB 1.121 39.805 38.487 0.328 0.000 1.175 257 N HN 1.000 nan 8.380 nan 0.000 0.477 258 I N -2.825 117.800 120.570 0.093 0.000 3.817 258 I HA 0.327 4.498 4.170 0.001 0.000 0.325 258 I C -0.653 175.479 176.117 0.025 0.000 1.550 258 I CA -0.684 60.596 61.300 -0.033 0.000 1.100 258 I CB -0.099 37.871 38.000 -0.050 0.000 1.216 258 I HN 0.263 nan 8.210 nan 0.000 0.481 259 L N 2.085 123.367 121.223 0.098 0.000 2.483 259 L HA 0.181 4.521 4.340 0.001 0.000 0.275 259 L C 0.375 177.301 176.870 0.093 0.000 1.220 259 L CA 0.394 55.246 54.840 0.019 0.000 0.833 259 L CB 0.108 42.099 42.059 -0.114 0.000 1.102 259 L HN 0.343 nan 8.230 nan 0.000 0.490 260 N N 3.363 122.074 118.700 0.019 0.000 2.976 260 N HA 0.217 4.958 4.740 0.001 0.000 0.255 260 N C 0.528 176.017 175.510 -0.035 0.000 1.312 260 N CA -0.114 52.955 53.050 0.033 0.000 0.897 260 N CB 1.266 39.761 38.487 0.013 0.000 1.184 260 N HN 0.581 nan 8.380 nan 0.000 0.497 261 L N 0.522 121.708 121.223 -0.061 0.000 2.307 261 L HA 0.074 4.414 4.340 0.001 0.000 0.211 261 L C 0.211 176.986 176.870 -0.158 0.000 1.099 261 L CA 0.206 54.970 54.840 -0.127 0.000 0.816 261 L CB -0.079 41.880 42.059 -0.166 0.000 0.952 261 L HN 0.376 nan 8.230 nan 0.000 0.455 262 N N 0.972 119.583 118.700 -0.148 0.000 2.714 262 N HA -0.215 4.526 4.740 0.001 0.000 0.252 262 N C 0.971 176.034 175.510 -0.745 0.000 1.014 262 N CA 1.035 53.860 53.050 -0.375 0.000 0.735 262 N CB -1.464 36.843 38.487 -0.299 0.000 0.924 262 N HN 0.597 nan 8.380 nan 0.000 0.540 263 G N -2.028 106.521 108.800 -0.419 0.000 2.176 263 G HA2 -0.288 3.672 3.960 0.001 0.000 0.253 263 G HA3 -0.288 3.672 3.960 0.001 0.000 0.253 263 G C 1.066 175.702 174.900 -0.439 0.000 0.979 263 G CA 0.928 45.819 45.100 -0.349 0.000 0.641 263 G HN 1.020 nan 8.290 nan 0.000 0.530 264 A N -0.278 122.286 122.820 -0.427 0.000 2.014 264 A HA 0.517 4.838 4.320 0.001 0.000 0.218 264 A C 2.734 179.958 177.584 -0.599 0.000 1.163 264 A CA 2.199 53.839 52.037 -0.660 0.000 0.652 264 A CB -0.543 18.266 19.000 -0.319 0.000 0.808 264 A HN 2.678 nan 8.150 nan 0.000 0.449 265 G N -0.351 108.199 108.800 -0.415 0.000 2.512 265 G HA2 -0.250 3.710 3.960 0.001 0.000 0.240 265 G HA3 -0.250 3.710 3.960 0.001 0.000 0.240 265 G C -0.200 174.536 174.900 -0.274 0.000 1.246 265 G CA 0.189 45.081 45.100 -0.346 0.000 0.919 265 G HN 0.943 nan 8.290 nan 0.000 0.577 266 D N 1.868 122.128 120.400 -0.234 0.000 2.581 266 D HA 0.289 4.930 4.640 0.001 0.000 0.238 266 D C -0.367 175.832 176.300 -0.169 0.000 1.145 266 D CA -0.180 53.719 54.000 -0.167 0.000 0.866 266 D CB 0.793 41.514 40.800 -0.133 0.000 1.151 266 D HN 0.126 nan 8.370 nan 0.000 0.500 267 P HA -0.131 nan 4.420 nan 0.000 0.221 267 P C 1.118 178.363 177.300 -0.091 0.000 1.145 267 P CA 0.992 64.001 63.100 -0.150 0.000 0.795 267 P CB 0.111 31.701 31.700 -0.183 0.000 0.775 268 L N -1.674 119.504 121.223 -0.074 0.000 2.446 268 L HA 0.078 4.419 4.340 0.001 0.000 0.219 268 L C 0.876 177.722 176.870 -0.039 0.000 1.116 268 L CA 1.274 56.080 54.840 -0.056 0.000 0.844 268 L CB -0.761 41.264 42.059 -0.057 0.000 0.970 268 L HN 0.094 nan 8.230 nan 0.000 0.457 269 T N -2.817 111.710 114.554 -0.044 0.000 3.697 269 T HA 0.279 4.630 4.350 0.001 0.000 0.260 269 T C -2.630 172.060 174.700 -0.017 0.000 0.998 269 T CA -1.447 60.657 62.100 0.006 0.000 1.128 269 T CB 0.184 69.046 68.868 -0.010 0.000 1.082 269 T HN -0.134 nan 8.240 nan 0.000 0.541 270 P HA 0.303 nan 4.420 nan 0.000 0.262 270 P C 1.185 178.444 177.300 -0.069 0.000 1.199 270 P CA 1.144 64.157 63.100 -0.145 0.000 0.763 270 P CB 0.545 32.259 31.700 0.023 0.000 0.790 271 G N 2.483 111.051 108.800 -0.387 0.000 2.254 271 G HA2 -0.202 3.758 3.960 0.001 0.000 0.225 271 G HA3 -0.202 3.758 3.960 0.001 0.000 0.225 271 G C -0.569 173.777 174.900 -0.923 0.000 1.003 271 G CA -0.318 44.447 45.100 -0.557 0.000 0.622 271 G HN 0.515 nan 8.290 nan 0.000 0.507 272 Y N 1.249 121.487 120.300 -0.104 0.000 2.492 272 Y HA 0.599 5.149 4.550 0.001 0.000 0.346 272 Y C -2.314 173.511 175.900 -0.125 0.000 0.997 272 Y CA -2.336 55.714 58.100 -0.083 0.000 1.025 272 Y CB 2.181 40.623 38.460 -0.030 0.000 1.263 272 Y HN -0.032 nan 8.280 nan 0.000 0.454 273 P HA 0.155 nan 4.420 nan 0.000 0.271 273 P C -0.630 176.675 177.300 0.008 0.000 1.216 273 P CA -0.192 62.883 63.100 -0.042 0.000 0.776 273 P CB 1.039 32.763 31.700 0.040 0.000 0.881 274 A N 3.078 125.918 122.820 0.034 0.000 3.056 274 A HA 0.199 4.519 4.320 0.001 0.000 0.274 274 A C 0.724 178.376 177.584 0.113 0.000 1.661 274 A CA -0.420 51.644 52.037 0.045 0.000 1.363 274 A CB -1.537 17.480 19.000 0.028 0.000 1.139 274 A HN 0.650 nan 8.150 nan 0.000 0.598 275 N N -0.260 118.419 118.700 -0.036 0.000 2.593 275 N HA 0.260 5.001 4.740 0.001 0.000 0.304 275 N C 0.519 175.935 175.510 -0.156 0.000 1.296 275 N CA -0.487 52.497 53.050 -0.110 0.000 0.950 275 N CB 0.146 38.493 38.487 -0.234 0.000 1.127 275 N HN 0.191 nan 8.380 nan 0.000 0.587 276 E N -1.835 118.301 120.200 -0.105 0.000 2.150 276 E HA -0.119 4.231 4.350 0.001 0.000 0.193 276 E C 0.479 177.095 176.600 0.026 0.000 0.985 276 E CA 1.326 57.732 56.400 0.010 0.000 0.814 276 E CB -0.328 29.442 29.700 0.116 0.000 0.752 276 E HN 0.719 nan 8.360 nan 0.000 0.466 277 Y N -2.313 118.015 120.300 0.046 0.000 2.507 277 Y HA 0.600 5.150 4.550 0.001 0.000 0.254 277 Y C 0.346 176.280 175.900 0.056 0.000 1.171 277 Y CA -0.564 57.563 58.100 0.044 0.000 1.238 277 Y CB -0.494 37.987 38.460 0.035 0.000 1.148 277 Y HN -0.168 nan 8.280 nan 0.000 0.525 278 A N 1.232 123.919 122.820 -0.221 0.000 2.561 278 A HA 0.013 4.334 4.320 0.001 0.000 0.234 278 A C -0.938 176.672 177.584 0.043 0.000 1.055 278 A CA -0.011 51.963 52.037 -0.105 0.000 0.756 278 A CB -0.416 18.515 19.000 -0.115 0.000 0.986 278 A HN 0.580 nan 8.150 nan 0.000 0.505 279 Y N 2.359 122.639 120.300 -0.033 0.000 2.327 279 Y HA 0.489 5.040 4.550 0.001 0.000 0.336 279 Y C 0.512 176.399 175.900 -0.020 0.000 1.035 279 Y CA -0.261 57.828 58.100 -0.018 0.000 1.165 279 Y CB 0.712 39.156 38.460 -0.028 0.000 1.181 279 Y HN 0.695 nan 8.280 nan 0.000 0.494 280 R N 5.379 125.570 120.500 -0.514 0.000 2.460 280 R HA 0.441 4.782 4.340 0.001 0.000 0.303 280 R C -0.245 175.800 176.300 -0.425 0.000 0.968 280 R CA -0.957 54.944 56.100 -0.332 0.000 0.889 280 R CB 1.348 31.515 30.300 -0.223 0.000 1.123 280 R HN 0.719 nan 8.270 nan 0.000 0.455 281 R N 0.572 120.964 120.500 -0.179 0.000 2.756 281 R HA 0.029 4.370 4.340 0.001 0.000 0.264 281 R C 0.685 176.915 176.300 -0.117 0.000 1.026 281 R CA 0.274 56.311 56.100 -0.104 0.000 1.121 281 R CB 0.312 30.598 30.300 -0.024 0.000 0.999 281 R HN 0.752 nan 8.270 nan 0.000 0.449 282 G N 1.208 109.963 108.800 -0.076 0.000 2.554 282 G HA2 0.019 3.980 3.960 0.001 0.000 0.238 282 G HA3 0.019 3.980 3.960 0.001 0.000 0.238 282 G C 0.887 175.771 174.900 -0.027 0.000 1.259 282 G CA -0.526 44.544 45.100 -0.050 0.000 0.843 282 G HN 0.614 nan 8.290 nan 0.000 0.582 283 I N 1.489 122.050 120.570 -0.015 0.000 2.530 283 I HA -0.181 3.990 4.170 0.001 0.000 0.257 283 I C 2.797 178.919 176.117 0.008 0.000 1.179 283 I CA 1.697 62.999 61.300 0.003 0.000 1.440 283 I CB 0.156 38.168 38.000 0.021 0.000 1.087 283 I HN 0.543 nan 8.210 nan 0.000 0.440 284 A N -0.447 122.377 122.820 0.006 0.000 2.072 284 A HA -0.039 4.281 4.320 0.001 0.000 0.216 284 A C 1.856 179.443 177.584 0.005 0.000 1.156 284 A CA 0.782 52.824 52.037 0.008 0.000 0.701 284 A CB -0.266 18.740 19.000 0.010 0.000 0.816 284 A HN 0.395 nan 8.150 nan 0.000 0.458 285 E N 0.364 120.566 120.200 0.004 0.000 2.465 285 E HA 0.412 4.763 4.350 0.001 0.000 0.191 285 E C 0.567 177.166 176.600 -0.002 0.000 1.053 285 E CA 0.304 56.708 56.400 0.006 0.000 0.869 285 E CB 0.200 29.910 29.700 0.016 0.000 0.977 285 E HN 0.544 nan 8.360 nan 0.000 0.483 286 A N 0.658 123.472 122.820 -0.010 0.000 2.425 286 A HA 0.222 4.543 4.320 0.001 0.000 0.242 286 A C 0.242 177.805 177.584 -0.035 0.000 1.077 286 A CA -0.379 51.643 52.037 -0.024 0.000 0.781 286 A CB 0.498 19.483 19.000 -0.025 0.000 1.020 286 A HN 0.092 nan 8.150 nan 0.000 0.494 287 V N 1.825 121.706 119.914 -0.055 0.000 2.498 287 V HA 0.509 4.630 4.120 0.001 0.000 0.279 287 V C 1.443 177.477 176.094 -0.101 0.000 1.048 287 V CA 1.234 63.496 62.300 -0.063 0.000 0.967 287 V CB 0.442 32.229 31.823 -0.059 0.000 0.988 287 V HN 1.911 nan 8.190 nan 0.000 0.473 288 G N 4.353 113.104 108.800 -0.081 0.000 2.184 288 G HA2 -0.208 3.753 3.960 0.001 0.000 0.264 288 G HA3 -0.208 3.753 3.960 0.001 0.000 0.264 288 G C 0.154 174.999 174.900 -0.092 0.000 0.975 288 G CA -0.015 45.029 45.100 -0.093 0.000 0.642 288 G HN 0.555 nan 8.290 nan 0.000 0.536 289 L N 2.271 123.451 121.223 -0.071 0.000 2.455 289 L HA 0.261 4.601 4.340 0.001 0.000 0.272 289 L C -0.897 175.971 176.870 -0.003 0.000 1.174 289 L CA -1.392 53.433 54.840 -0.025 0.000 0.869 289 L CB 0.038 42.105 42.059 0.013 0.000 1.130 289 L HN 0.073 nan 8.230 nan 0.000 0.474 290 P HA -0.016 nan 4.420 nan 0.000 0.265 290 P C 0.187 177.502 177.300 0.025 0.000 1.187 290 P CA -0.112 62.999 63.100 0.019 0.000 0.766 290 P CB 0.728 32.447 31.700 0.031 0.000 0.820 291 S N 1.321 117.028 115.700 0.011 0.000 2.539 291 S HA 0.227 4.698 4.470 0.001 0.000 0.221 291 S C 0.893 175.500 174.600 0.012 0.000 0.987 291 S CA -0.428 57.780 58.200 0.013 0.000 0.929 291 S CB -0.647 62.556 63.200 0.005 0.000 0.832 291 S HN 0.560 nan 8.310 nan 0.000 0.492 292 I N -1.829 118.747 120.570 0.010 0.000 2.740 292 I HA 0.711 4.882 4.170 0.001 0.000 0.303 292 I C -3.366 172.759 176.117 0.014 0.000 1.044 292 I CA -3.193 58.111 61.300 0.008 0.000 1.064 292 I CB 1.736 39.738 38.000 0.002 0.000 1.249 292 I HN -0.278 nan 8.210 nan 0.000 0.433 293 P HA 0.315 nan 4.420 nan 0.000 0.271 293 P C -0.993 176.319 177.300 0.021 0.000 1.218 293 P CA -0.204 62.904 63.100 0.013 0.000 0.780 293 P CB 1.129 32.818 31.700 -0.019 0.000 0.901 294 V N 2.295 122.236 119.914 0.045 0.000 2.888 294 V HA 0.526 4.646 4.120 0.001 0.000 0.309 294 V C -0.980 175.182 176.094 0.115 0.000 1.114 294 V CA -0.405 61.922 62.300 0.045 0.000 0.940 294 V CB 2.052 33.877 31.823 0.004 0.000 1.021 294 V HN 0.655 nan 8.190 nan 0.000 0.426 295 H N 4.256 123.310 119.070 -0.027 0.000 3.029 295 H HA 0.680 5.237 4.556 0.001 0.000 0.358 295 H C -3.119 172.196 175.328 -0.022 0.000 1.129 295 H CA -0.977 55.066 56.048 -0.008 0.000 1.230 295 H CB 3.531 33.301 29.762 0.014 0.000 1.827 295 H HN 0.499 nan 8.280 nan 0.000 0.530 296 P HA 0.431 nan 4.420 nan 0.000 0.292 296 P C -1.067 176.092 177.300 -0.234 0.000 1.300 296 P CA -0.722 62.209 63.100 -0.281 0.000 0.900 296 P CB 2.205 33.808 31.700 -0.162 0.000 1.139 297 I N -2.454 118.109 120.570 -0.012 0.000 3.095 297 I HA 0.786 4.957 4.170 0.001 0.000 0.310 297 I C -0.043 176.143 176.117 0.115 0.000 1.196 297 I CA -1.346 59.990 61.300 0.061 0.000 0.985 297 I CB 1.944 40.011 38.000 0.112 0.000 1.250 297 I HN 0.334 nan 8.210 nan 0.000 0.446 298 G N 0.909 109.746 108.800 0.062 0.000 2.616 298 G HA2 0.235 4.196 3.960 0.001 0.000 0.268 298 G HA3 0.235 4.196 3.960 0.001 0.000 0.268 298 G C 0.039 174.989 174.900 0.084 0.000 1.213 298 G CA -0.222 44.882 45.100 0.007 0.000 0.926 298 G HN 0.887 nan 8.290 nan 0.000 0.523 299 Y N -2.141 118.216 120.300 0.095 0.000 2.516 299 Y HA 0.069 4.619 4.550 0.001 0.000 0.291 299 Y C 2.094 178.052 175.900 0.097 0.000 1.131 299 Y CA 0.281 58.453 58.100 0.121 0.000 1.281 299 Y CB -0.411 38.147 38.460 0.162 0.000 1.013 299 Y HN 0.351 nan 8.280 nan 0.000 0.554 300 Y N 1.542 121.801 120.300 -0.068 0.000 2.114 300 Y HA -0.187 4.363 4.550 0.001 0.000 0.284 300 Y C 2.021 177.906 175.900 -0.026 0.000 1.143 300 Y CA 1.001 59.082 58.100 -0.032 0.000 1.135 300 Y CB -0.998 37.406 38.460 -0.094 0.000 0.980 300 Y HN 0.213 nan 8.280 nan 0.000 0.499 301 D N -0.544 119.939 120.400 0.138 0.000 2.178 301 D HA -0.105 4.536 4.640 0.001 0.000 0.201 301 D C 2.201 178.514 176.300 0.022 0.000 0.980 301 D CA 1.254 55.295 54.000 0.069 0.000 0.842 301 D CB -0.348 40.493 40.800 0.068 0.000 0.948 301 D HN 0.313 nan 8.370 nan 0.000 0.472 302 A N 0.426 123.245 122.820 -0.002 0.000 1.929 302 A HA -0.169 4.152 4.320 0.001 0.000 0.216 302 A C 2.128 179.599 177.584 -0.189 0.000 1.176 302 A CA 1.325 53.257 52.037 -0.175 0.000 0.628 302 A CB -0.559 18.183 19.000 -0.430 0.000 0.816 302 A HN 0.175 nan 8.150 nan 0.000 0.444 303 Q N -0.010 119.746 119.800 -0.074 0.000 2.077 303 Q HA -0.212 4.128 4.340 0.001 0.000 0.206 303 Q C 2.256 178.195 176.000 -0.102 0.000 0.989 303 Q CA 2.497 58.248 55.803 -0.086 0.000 0.853 303 Q CB -0.119 28.627 28.738 0.012 0.000 0.907 303 Q HN 0.475 nan 8.270 nan 0.000 0.418 304 K N -0.975 119.386 120.400 -0.064 0.000 2.063 304 K HA -0.104 4.217 4.320 0.001 0.000 0.208 304 K C 2.092 178.637 176.600 -0.091 0.000 1.048 304 K CA 1.318 57.559 56.287 -0.077 0.000 0.928 304 K CB -0.984 31.488 32.500 -0.048 0.000 0.713 304 K HN 0.242 nan 8.250 nan 0.000 0.442 305 L N 0.273 121.460 121.223 -0.060 0.000 2.240 305 L HA 0.200 4.540 4.340 0.001 0.000 0.211 305 L C 2.224 179.109 176.870 0.025 0.000 1.106 305 L CA 1.139 55.983 54.840 0.007 0.000 0.793 305 L CB -0.913 41.168 42.059 0.037 0.000 0.927 305 L HN 0.374 nan 8.230 nan 0.000 0.446 306 L N -0.717 120.445 121.223 -0.101 0.000 2.416 306 L HA -0.025 4.316 4.340 0.001 0.000 0.216 306 L C 2.705 179.488 176.870 -0.146 0.000 1.098 306 L CA 0.715 55.464 54.840 -0.151 0.000 0.840 306 L CB -0.346 41.504 42.059 -0.348 0.000 0.981 306 L HN 0.466 nan 8.230 nan 0.000 0.462 307 E N 0.296 120.404 120.200 -0.153 0.000 2.152 307 E HA -0.163 4.187 4.350 0.001 0.000 0.192 307 E C 1.489 178.017 176.600 -0.120 0.000 0.983 307 E CA 0.875 57.183 56.400 -0.154 0.000 0.818 307 E CB -0.076 29.536 29.700 -0.147 0.000 0.758 307 E HN 0.139 nan 8.360 nan 0.000 0.467 308 K N 0.243 120.558 120.400 -0.142 0.000 2.487 308 K HA 0.181 4.501 4.320 0.001 0.000 0.192 308 K C 0.718 177.433 176.600 0.191 0.000 1.027 308 K CA 0.120 56.324 56.287 -0.139 0.000 1.054 308 K CB -0.302 31.797 32.500 -0.669 0.000 0.824 308 K HN 0.295 nan 8.250 nan 0.000 0.510 309 M N 1.213 120.932 119.600 0.199 0.000 2.246 309 M HA 0.205 4.686 4.480 0.001 0.000 0.350 309 M C 1.191 177.569 176.300 0.130 0.000 1.406 309 M CA 0.250 55.684 55.300 0.224 0.000 1.089 309 M CB 0.248 32.904 32.600 0.094 0.000 1.782 309 M HN 0.316 nan 8.290 nan 0.000 0.457 310 G N 1.827 110.700 108.800 0.122 0.000 2.945 310 G HA2 0.681 4.642 3.960 0.001 0.000 0.156 310 G HA3 0.681 4.642 3.960 0.001 0.000 0.156 310 G C 0.360 175.289 174.900 0.047 0.000 1.375 310 G CA -0.065 45.079 45.100 0.074 0.000 1.039 310 G HN 0.974 nan 8.290 nan 0.000 0.586 311 G N -1.197 107.622 108.800 0.032 0.000 2.578 311 G HA2 0.275 4.236 3.960 0.001 0.000 0.275 311 G HA3 0.275 4.236 3.960 0.001 0.000 0.275 311 G C 0.731 175.644 174.900 0.022 0.000 1.271 311 G CA 0.696 45.810 45.100 0.022 0.000 0.941 311 G HN 1.997 nan 8.290 nan 0.000 0.564 312 S N -0.371 115.338 115.700 0.014 0.000 2.562 312 S HA 0.753 5.223 4.470 0.001 0.000 0.281 312 S C 0.964 175.569 174.600 0.008 0.000 1.333 312 S CA 1.137 59.337 58.200 -0.001 0.000 1.052 312 S CB 0.271 63.456 63.200 -0.025 0.000 0.884 312 S HN 2.377 nan 8.310 nan 0.000 0.506 313 A N 3.471 126.290 122.820 -0.003 0.000 2.429 313 A HA 0.595 4.915 4.320 0.001 0.000 0.242 313 A C -2.136 175.439 177.584 -0.015 0.000 1.088 313 A CA -1.005 51.037 52.037 0.010 0.000 0.784 313 A CB -0.547 nan 19.000 nan 0.000 1.038 313 A HN 0.663 nan 8.150 nan 0.000 0.501 314 P HA 0.117 nan 4.420 nan 0.000 0.271 314 P C -1.997 175.202 177.300 -0.167 0.000 1.216 314 P CA -1.044 62.044 63.100 -0.020 0.000 0.771 314 P CB 0.227 32.033 31.700 0.176 0.000 0.864 315 P HA -0.131 nan 4.420 nan 0.000 0.220 315 P C -0.057 177.132 177.300 -0.185 0.000 1.148 315 P CA 1.506 64.401 63.100 -0.342 0.000 0.803 315 P CB 0.142 31.510 31.700 -0.553 0.000 0.782 316 D N -3.433 116.889 120.400 -0.131 0.000 2.792 316 D HA 0.094 4.734 4.640 0.001 0.000 0.335 316 D C 0.634 176.990 176.300 0.093 0.000 1.353 316 D CA -0.307 53.695 54.000 0.003 0.000 0.839 316 D CB -0.214 40.601 40.800 0.025 0.000 1.396 316 D HN -0.239 nan 8.370 nan 0.000 0.479 317 S N -0.754 115.001 115.700 0.092 0.000 2.474 317 S HA -0.125 4.345 4.470 0.001 0.000 0.235 317 S C 1.639 176.309 174.600 0.118 0.000 0.997 317 S CA 1.131 59.386 58.200 0.092 0.000 0.949 317 S CB -0.827 62.409 63.200 0.060 0.000 0.766 317 S HN 0.645 nan 8.310 nan 0.000 0.517 318 S N -1.057 114.756 115.700 0.187 0.000 2.562 318 S HA 0.102 4.573 4.470 0.001 0.000 0.221 318 S C 0.856 175.581 174.600 0.208 0.000 0.975 318 S CA -0.295 58.020 58.200 0.192 0.000 0.918 318 S CB -0.721 62.607 63.200 0.214 0.000 0.772 318 S HN 0.714 nan 8.310 nan 0.000 0.531 319 W N 2.210 123.500 121.300 -0.016 0.000 3.290 319 W HA 0.429 5.090 4.660 0.001 0.000 0.287 319 W C 0.833 177.289 176.519 -0.105 0.000 1.288 319 W CA -0.878 56.463 57.345 -0.007 0.000 1.725 319 W CB 0.147 29.657 29.460 0.084 0.000 1.103 319 W HN 0.076 nan 8.180 nan 0.000 0.670 320 R N 0.277 120.734 120.500 -0.071 0.000 2.255 320 R HA 0.431 4.771 4.340 0.001 0.000 0.326 320 R C 0.848 176.750 176.300 -0.663 0.000 0.986 320 R CA -0.139 55.667 56.100 -0.490 0.000 0.847 320 R CB 1.158 31.388 30.300 -0.116 0.000 1.111 320 R HN 0.005 nan 8.270 nan 0.000 0.452 321 G N 0.265 108.220 108.800 -1.409 0.000 2.580 321 G HA2 -0.006 3.955 3.960 0.001 0.000 0.225 321 G HA3 -0.006 3.955 3.960 0.001 0.000 0.225 321 G C 0.511 175.340 174.900 -0.117 0.000 1.521 321 G CA -0.088 44.687 45.100 -0.542 0.000 1.068 321 G HN 0.579 nan 8.290 nan 0.000 0.564 322 S N -1.382 114.386 115.700 0.113 0.000 2.819 322 S HA 0.345 4.815 4.470 0.001 0.000 0.249 322 S C 0.485 175.149 174.600 0.106 0.000 1.030 322 S CA -0.487 57.775 58.200 0.104 0.000 1.052 322 S CB -0.324 62.884 63.200 0.014 0.000 1.017 322 S HN 0.305 nan 8.310 nan 0.000 0.576 323 L N 2.300 123.643 121.223 0.201 0.000 2.483 323 L HA 0.204 4.544 4.340 0.001 0.000 0.276 323 L C 0.502 177.391 176.870 0.032 0.000 1.213 323 L CA -0.454 54.424 54.840 0.063 0.000 0.843 323 L CB 0.251 42.310 42.059 0.000 0.000 1.107 323 L HN 0.013 nan 8.230 nan 0.000 0.487 324 K N 3.140 123.527 120.400 -0.023 0.000 2.121 324 K HA 0.474 4.794 4.320 0.001 0.000 0.235 324 K C 0.067 176.605 176.600 -0.102 0.000 1.200 324 K CA -0.013 56.254 56.287 -0.034 0.000 1.115 324 K CB -0.807 31.676 32.500 -0.029 0.000 1.474 324 K HN 0.502 nan 8.250 nan 0.000 0.295 325 V N 1.274 121.086 119.914 -0.170 0.000 3.147 325 V HA 0.603 4.724 4.120 0.001 0.000 0.306 325 V C -1.892 174.054 176.094 -0.246 0.000 1.209 325 V CA -1.920 60.196 62.300 -0.307 0.000 1.023 325 V CB 2.373 33.835 31.823 -0.602 0.000 1.059 325 V HN 0.341 nan 8.190 nan 0.000 0.435 326 P HA -0.004 nan 4.420 nan 0.000 0.220 326 P C -0.053 177.278 177.300 0.051 0.000 1.152 326 P CA 1.083 64.159 63.100 -0.040 0.000 0.812 326 P CB -0.056 31.624 31.700 -0.033 0.000 0.792 327 Y N -1.545 118.693 120.300 -0.104 0.000 3.568 327 Y HA -0.185 4.365 4.550 0.001 0.000 0.220 327 Y C 0.235 176.110 175.900 -0.042 0.000 1.319 327 Y CA -0.302 57.681 58.100 -0.195 0.000 1.629 327 Y CB -3.185 35.200 38.460 -0.124 0.000 1.515 327 Y HN 0.083 nan 8.280 nan 0.000 0.613 328 N N 0.007 118.745 118.700 0.064 0.000 2.453 328 N HA 0.191 4.932 4.740 0.001 0.000 0.253 328 N C 1.072 176.698 175.510 0.194 0.000 1.252 328 N CA 0.276 53.392 53.050 0.110 0.000 0.917 328 N CB 1.280 39.804 38.487 0.062 0.000 1.117 328 N HN 0.115 nan 8.380 nan 0.000 0.442 329 V N 0.435 120.476 119.914 0.211 0.000 3.354 329 V HA 0.147 4.268 4.120 0.001 0.000 0.258 329 V C 1.395 177.595 176.094 0.177 0.000 1.159 329 V CA 1.185 63.657 62.300 0.286 0.000 1.125 329 V CB -1.094 30.831 31.823 0.170 0.000 0.774 329 V HN 1.011 nan 8.190 nan 0.000 0.464 330 G N 0.679 109.539 108.800 0.101 0.000 2.542 330 G HA2 -0.159 3.802 3.960 0.001 0.000 0.235 330 G HA3 -0.159 3.802 3.960 0.001 0.000 0.235 330 G C -2.650 172.266 174.900 0.027 0.000 1.286 330 G CA -0.379 44.747 45.100 0.043 0.000 0.904 330 G HN 0.308 nan 8.290 nan 0.000 0.577 331 P HA 0.473 nan 4.420 nan 0.000 0.273 331 P C 0.970 178.222 177.300 -0.080 0.000 1.250 331 P CA 1.587 64.669 63.100 -0.031 0.000 0.793 331 P CB 0.059 31.742 31.700 -0.028 0.000 1.011 332 G N -0.931 107.757 108.800 -0.187 0.000 2.806 332 G HA2 -0.206 3.755 3.960 0.001 0.000 0.236 332 G HA3 -0.206 3.755 3.960 0.001 0.000 0.236 332 G C -0.502 174.219 174.900 -0.298 0.000 1.387 332 G CA -0.573 44.337 45.100 -0.317 0.000 0.884 332 G HN 0.362 nan 8.290 nan 0.000 0.560 341 K N -0.611 119.927 120.400 0.230 0.000 2.331 341 K HA 0.956 5.276 4.320 0.001 0.000 0.238 341 K C -0.602 176.100 176.600 0.170 0.000 1.058 341 K CA -0.205 56.156 56.287 0.124 0.000 0.871 341 K CB 2.140 34.669 32.500 0.047 0.000 1.292 341 K HN 1.100 nan 8.250 nan 0.000 0.470 342 V N 1.300 121.257 119.914 0.072 0.000 2.513 342 V HA 0.571 4.691 4.120 0.001 0.000 0.299 342 V C -0.408 175.696 176.094 0.018 0.000 1.035 342 V CA -0.679 61.670 62.300 0.081 0.000 0.889 342 V CB 1.577 33.441 31.823 0.070 0.000 0.988 342 V HN 0.727 nan 8.190 nan 0.000 0.440 343 K N 4.443 124.851 120.400 0.013 0.000 2.443 343 K HA 0.695 5.016 4.320 0.001 0.000 0.252 343 K C -1.113 175.359 176.600 -0.213 0.000 0.933 343 K CA -0.581 55.639 56.287 -0.112 0.000 0.792 343 K CB 1.738 34.167 32.500 -0.117 0.000 1.185 343 K HN 0.669 nan 8.250 nan 0.000 0.425 344 M N 3.292 122.684 119.600 -0.346 0.000 2.363 344 M HA 0.296 4.777 4.480 0.001 0.000 0.343 344 M C -1.122 174.770 176.300 -0.681 0.000 1.165 344 M CA -0.750 54.348 55.300 -0.337 0.000 1.046 344 M CB 1.484 33.969 32.600 -0.190 0.000 1.648 344 M HN 0.621 nan 8.290 nan 0.000 0.452 345 H N 3.265 122.022 119.070 -0.520 0.000 2.866 345 H HA 0.512 5.069 4.556 0.001 0.000 0.287 345 H C -1.130 173.762 175.328 -0.727 0.000 1.106 345 H CA -0.440 55.200 56.048 -0.679 0.000 1.396 345 H CB 0.668 29.877 29.762 -0.921 0.000 1.469 345 H HN 0.363 nan 8.280 nan 0.000 0.500 346 I N 2.244 122.456 120.570 -0.598 0.000 2.533 346 I HA 0.225 4.395 4.170 0.001 0.000 0.290 346 I C 0.215 176.189 176.117 -0.238 0.000 1.056 346 I CA -0.316 60.754 61.300 -0.383 0.000 1.057 346 I CB 1.720 39.638 38.000 -0.137 0.000 1.240 346 I HN 0.874 nan 8.210 nan 0.000 0.423 347 H N 1.348 120.443 119.070 0.041 0.000 3.726 347 H HA 0.199 4.756 4.556 0.001 0.000 0.262 347 H C 0.302 175.659 175.328 0.047 0.000 1.181 347 H CA -0.182 55.891 56.048 0.041 0.000 1.143 347 H CB 1.099 30.889 29.762 0.047 0.000 1.627 347 H HN 0.472 nan 8.280 nan 0.000 0.750 348 S N 2.080 117.872 115.700 0.153 0.000 2.562 348 S HA 0.131 4.601 4.470 0.001 0.000 0.281 348 S C 0.659 175.325 174.600 0.110 0.000 1.333 348 S CA -0.054 58.219 58.200 0.120 0.000 1.052 348 S CB 0.906 64.204 63.200 0.162 0.000 0.884 348 S HN 0.400 nan 8.310 nan 0.000 0.506 349 T N 0.870 115.479 114.554 0.092 0.000 2.925 349 T HA 0.480 4.830 4.350 0.001 0.000 0.285 349 T C -0.585 174.151 174.700 0.061 0.000 1.021 349 T CA -1.178 60.971 62.100 0.082 0.000 1.042 349 T CB 0.692 69.606 68.868 0.076 0.000 1.037 349 T HN 0.403 nan 8.240 nan 0.000 0.481 350 N N 2.358 121.095 118.700 0.062 0.000 2.438 350 N HA 0.400 5.140 4.740 0.001 0.000 0.282 350 N C -0.420 175.121 175.510 0.052 0.000 1.037 350 N CA -0.579 52.502 53.050 0.051 0.000 0.942 350 N CB 1.391 39.950 38.487 0.121 0.000 1.136 350 N HN 0.856 nan 8.380 nan 0.000 0.481 351 E N -0.565 119.656 120.200 0.034 0.000 2.390 351 E HA 0.359 4.710 4.350 0.001 0.000 0.277 351 E C -1.170 175.443 176.600 0.021 0.000 0.939 351 E CA -0.971 55.454 56.400 0.042 0.000 0.769 351 E CB 1.273 31.017 29.700 0.072 0.000 1.251 351 E HN -0.006 nan 8.360 nan 0.000 0.450 352 V N 1.810 121.732 119.914 0.013 0.000 2.488 352 V HA 0.343 4.464 4.120 0.001 0.000 0.277 352 V C -0.377 175.711 176.094 -0.010 0.000 1.046 352 V CA 0.394 62.691 62.300 -0.005 0.000 0.986 352 V CB 0.919 32.733 31.823 -0.015 0.000 0.989 352 V HN 0.776 nan 8.190 nan 0.000 0.475 353 T N 5.077 119.617 114.554 -0.023 0.000 2.956 353 T HA 0.412 4.762 4.350 0.001 0.000 0.312 353 T C -0.425 174.240 174.700 -0.059 0.000 1.151 353 T CA -0.771 61.315 62.100 -0.024 0.000 1.024 353 T CB 1.705 70.585 68.868 0.019 0.000 1.140 353 T HN 0.689 nan 8.240 nan 0.000 0.473 354 R N 2.651 123.094 120.500 -0.096 0.000 2.390 354 R HA 0.658 4.998 4.340 0.001 0.000 0.291 354 R C -0.224 175.956 176.300 -0.201 0.000 1.070 354 R CA -0.431 55.547 56.100 -0.202 0.000 1.014 354 R CB 0.210 30.317 30.300 -0.322 0.000 1.007 354 R HN 0.741 nan 8.270 nan 0.000 0.466 355 I N 0.206 120.627 120.570 -0.248 0.000 3.002 355 I HA 0.502 4.673 4.170 0.001 0.000 0.310 355 I C -1.590 174.386 176.117 -0.235 0.000 1.087 355 I CA -1.307 59.942 61.300 -0.086 0.000 1.017 355 I CB 2.187 40.229 38.000 0.069 0.000 1.226 355 I HN 0.557 nan 8.210 nan 0.000 0.443 356 Y N 1.928 122.352 120.300 0.207 0.000 2.331 356 Y HA 0.467 5.018 4.550 0.001 0.000 0.326 356 Y C -0.514 175.503 175.900 0.195 0.000 1.020 356 Y CA -0.813 57.417 58.100 0.217 0.000 1.136 356 Y CB 1.560 40.160 38.460 0.233 0.000 1.157 356 Y HN 0.495 nan 8.280 nan 0.000 0.444 357 N N 1.845 120.756 118.700 0.352 0.000 2.473 357 N HA 0.494 5.235 4.740 0.001 0.000 0.291 357 N C -1.031 174.550 175.510 0.119 0.000 1.083 357 N CA -0.541 52.670 53.050 0.268 0.000 0.951 357 N CB 2.246 40.968 38.487 0.392 0.000 1.164 357 N HN 0.277 nan 8.380 nan 0.000 0.480 358 V N 2.884 122.772 119.914 -0.044 0.000 2.370 358 V HA 0.405 4.526 4.120 0.001 0.000 0.283 358 V C -0.073 175.982 176.094 -0.065 0.000 1.023 358 V CA -0.662 61.569 62.300 -0.115 0.000 0.857 358 V CB 1.151 32.742 31.823 -0.386 0.000 0.985 358 V HN 0.432 nan 8.190 nan 0.000 0.443 359 I N 4.530 125.117 120.570 0.029 0.000 2.382 359 I HA 0.529 4.699 4.170 0.001 0.000 0.285 359 I C 0.675 176.908 176.117 0.194 0.000 1.007 359 I CA -0.082 61.235 61.300 0.029 0.000 1.142 359 I CB 1.334 39.324 38.000 -0.016 0.000 1.289 359 I HN 0.685 nan 8.210 nan 0.000 0.453 360 G N 4.282 113.261 108.800 0.299 0.000 2.371 360 G HA2 0.638 4.598 3.960 0.001 0.000 0.326 360 G HA3 0.638 4.598 3.960 0.001 0.000 0.326 360 G C -0.650 174.339 174.900 0.149 0.000 1.127 360 G CA -0.192 45.072 45.100 0.274 0.000 0.885 360 G HN 0.468 nan 8.290 nan 0.000 0.477 361 T N 1.385 116.009 114.554 0.117 0.000 2.824 361 T HA 0.404 4.754 4.350 0.001 0.000 0.282 361 T C -1.018 173.720 174.700 0.063 0.000 0.993 361 T CA -0.344 61.782 62.100 0.043 0.000 0.967 361 T CB 1.620 70.505 68.868 0.028 0.000 0.960 361 T HN 0.350 nan 8.240 nan 0.000 0.441 362 L N 4.009 125.243 121.223 0.018 0.000 2.337 362 L HA 0.502 4.842 4.340 0.001 0.000 0.269 362 L C 0.252 177.084 176.870 -0.064 0.000 1.018 362 L CA -0.670 54.176 54.840 0.010 0.000 0.876 362 L CB 0.623 42.716 42.059 0.057 0.000 1.236 362 L HN 0.546 nan 8.230 nan 0.000 0.436 363 R N 2.757 123.233 120.500 -0.040 0.000 2.538 363 R HA 0.347 4.688 4.340 0.001 0.000 0.282 363 R C 0.385 176.618 176.300 -0.111 0.000 1.009 363 R CA 0.594 56.666 56.100 -0.047 0.000 1.063 363 R CB 0.380 30.668 30.300 -0.020 0.000 0.945 363 R HN 0.870 nan 8.270 nan 0.000 0.414 364 G N 1.882 110.616 108.800 -0.110 0.000 2.527 364 G HA2 0.311 4.271 3.960 0.001 0.000 0.248 364 G HA3 0.311 4.271 3.960 0.001 0.000 0.248 364 G C 0.512 175.323 174.900 -0.148 0.000 1.231 364 G CA -0.009 44.991 45.100 -0.166 0.000 0.838 364 G HN 0.811 nan 8.290 nan 0.000 0.570 365 A N 0.903 123.609 122.820 -0.191 0.000 1.943 365 A HA 0.244 4.565 4.320 0.001 0.000 0.213 365 A C 2.136 179.655 177.584 -0.108 0.000 1.181 365 A CA 1.415 53.359 52.037 -0.154 0.000 0.653 365 A CB -0.013 18.868 19.000 -0.198 0.000 0.833 365 A HN 0.523 nan 8.150 nan 0.000 0.451 366 V N -0.438 119.409 119.914 -0.112 0.000 2.690 366 V HA 0.076 4.197 4.120 0.001 0.000 0.240 366 V C 0.622 176.675 176.094 -0.068 0.000 1.078 366 V CA 0.763 63.016 62.300 -0.079 0.000 1.102 366 V CB -0.223 31.555 31.823 -0.076 0.000 0.800 366 V HN 0.495 nan 8.190 nan 0.000 0.479 367 E N 1.378 121.528 120.200 -0.082 0.000 3.167 367 E HA 0.212 4.562 4.350 0.001 0.000 0.212 367 E C -2.073 174.481 176.600 -0.078 0.000 1.143 367 E CA -1.543 54.810 56.400 -0.078 0.000 1.002 367 E CB 1.166 30.813 29.700 -0.087 0.000 1.315 367 E HN 0.395 nan 8.360 nan 0.000 0.422 368 P HA -0.127 nan 4.420 nan 0.000 0.234 368 P C 0.446 177.756 177.300 0.016 0.000 1.167 368 P CA 0.960 64.054 63.100 -0.010 0.000 0.763 368 P CB 0.183 31.884 31.700 0.003 0.000 0.835 369 D N -1.142 119.207 120.400 -0.084 0.000 2.427 369 D HA 0.038 4.678 4.640 0.001 0.000 0.224 369 D C 0.198 176.243 176.300 -0.424 0.000 1.157 369 D CA -0.184 53.692 54.000 -0.206 0.000 0.828 369 D CB 0.080 40.813 40.800 -0.112 0.000 0.974 369 D HN -0.050 nan 8.370 nan 0.000 0.498 370 R N 0.813 121.100 120.500 -0.354 0.000 2.513 370 R HA 0.306 4.646 4.340 0.001 0.000 0.301 370 R C -1.355 174.842 176.300 -0.172 0.000 0.968 370 R CA -0.650 55.251 56.100 -0.332 0.000 0.872 370 R CB 1.256 31.447 30.300 -0.181 0.000 1.177 370 R HN 0.012 nan 8.270 nan 0.000 0.444 371 Y N 0.974 121.262 120.300 -0.021 0.000 2.341 371 Y HA 0.397 4.948 4.550 0.001 0.000 0.338 371 Y C 0.375 176.254 175.900 -0.035 0.000 0.965 371 Y CA -1.114 56.973 58.100 -0.022 0.000 1.108 371 Y CB 1.780 40.274 38.460 0.056 0.000 1.180 371 Y HN 0.107 nan 8.280 nan 0.000 0.458 372 V N 5.740 125.687 119.914 0.054 0.000 2.398 372 V HA 0.473 4.593 4.120 0.001 0.000 0.286 372 V C -0.146 175.856 176.094 -0.154 0.000 1.026 372 V CA -0.776 61.494 62.300 -0.051 0.000 0.868 372 V CB 1.456 33.197 31.823 -0.136 0.000 0.982 372 V HN 0.579 nan 8.190 nan 0.000 0.443 373 I N 5.722 126.218 120.570 -0.124 0.000 2.406 373 I HA 0.431 4.601 4.170 0.001 0.000 0.290 373 I C -0.928 174.962 176.117 -0.378 0.000 0.999 373 I CA -0.711 60.460 61.300 -0.215 0.000 1.124 373 I CB 1.889 39.888 38.000 -0.003 0.000 1.289 373 I HN 0.369 nan 8.210 nan 0.000 0.441 374 L N 6.399 127.365 121.223 -0.428 0.000 2.298 374 L HA 0.862 5.203 4.340 0.001 0.000 0.284 374 L C -0.143 176.555 176.870 -0.288 0.000 1.013 374 L CA 0.101 54.735 54.840 -0.344 0.000 0.824 374 L CB 1.162 43.132 42.059 -0.149 0.000 1.221 374 L HN 0.646 nan 8.230 nan 0.000 0.418 375 G N 2.376 110.990 108.800 -0.310 0.000 2.667 375 G HA2 0.765 4.726 3.960 0.001 0.000 0.298 375 G HA3 0.765 4.726 3.960 0.001 0.000 0.298 375 G C -1.116 173.843 174.900 0.098 0.000 1.377 375 G CA -0.237 44.778 45.100 -0.143 0.000 0.964 375 G HN 0.952 nan 8.290 nan 0.000 0.493 376 G N -0.385 108.432 108.800 0.028 0.000 2.646 376 G HA2 0.626 4.587 3.960 0.001 0.000 0.291 376 G HA3 0.626 4.587 3.960 0.001 0.000 0.291 376 G C -0.984 174.065 174.900 0.247 0.000 1.445 376 G CA -0.698 44.560 45.100 0.264 0.000 0.814 376 G HN 1.230 nan 8.290 nan 0.000 0.495 377 H N -1.373 117.881 119.070 0.306 0.000 2.546 377 H HA 0.694 5.251 4.556 0.001 0.000 0.365 377 H C 1.047 176.424 175.328 0.083 0.000 1.220 377 H CA -0.508 55.685 56.048 0.242 0.000 1.386 377 H CB 1.670 31.583 29.762 0.252 0.000 1.510 377 H HN 0.534 nan 8.280 nan 0.000 0.591 378 R N 0.370 120.944 120.500 0.125 0.000 2.310 378 R HA 0.012 4.353 4.340 0.001 0.000 0.199 378 R C -0.396 175.924 176.300 0.033 0.000 0.891 378 R CA 0.101 56.159 56.100 -0.070 0.000 1.060 378 R CB 0.307 30.515 30.300 -0.155 0.000 1.188 378 R HN 0.946 nan 8.270 nan 0.000 0.607 379 D N 1.647 122.174 120.400 0.212 0.000 2.414 379 D HA 0.015 4.656 4.640 0.001 0.000 0.242 379 D C -0.611 175.784 176.300 0.159 0.000 1.129 379 D CA 0.113 54.209 54.000 0.160 0.000 0.885 379 D CB 1.527 42.394 40.800 0.112 0.000 1.198 379 D HN 0.185 nan 8.370 nan 0.000 0.437 380 S N 0.630 116.362 115.700 0.054 0.000 2.599 380 S HA 0.320 4.791 4.470 0.001 0.000 0.287 380 S C 0.430 174.947 174.600 -0.138 0.000 1.105 380 S CA -1.056 57.147 58.200 0.005 0.000 0.899 380 S CB 1.147 64.424 63.200 0.129 0.000 1.100 380 S HN 0.693 nan 8.310 nan 0.000 0.482 381 W N 0.730 121.994 121.300 -0.061 0.000 2.379 381 W HA 0.052 4.712 4.660 0.001 0.000 0.307 381 W C 1.442 177.905 176.519 -0.092 0.000 1.200 381 W CA 1.125 58.391 57.345 -0.132 0.000 1.297 381 W CB -0.044 29.228 29.460 -0.314 0.000 1.140 381 W HN 0.527 nan 8.180 nan 0.000 0.507 382 V N -2.611 117.369 119.914 0.111 0.000 5.486 382 V HA 0.105 4.226 4.120 0.001 0.000 0.127 382 V C 0.749 176.693 176.094 -0.249 0.000 0.885 382 V CA -0.275 61.927 62.300 -0.163 0.000 1.394 382 V CB -0.758 30.933 31.823 -0.221 0.000 2.448 382 V HN -0.207 nan 8.190 nan 0.000 0.355 383 F N 1.657 121.650 119.950 0.072 0.000 2.416 383 F HA 0.414 4.942 4.527 0.001 0.000 0.296 383 F C 1.861 177.761 175.800 0.168 0.000 1.099 383 F CA 1.035 59.093 58.000 0.097 0.000 1.427 383 F CB -0.599 38.419 39.000 0.030 0.000 1.079 383 F HN 0.607 nan 8.300 nan 0.000 0.536 384 G N 0.401 109.380 108.800 0.299 0.000 2.272 384 G HA2 -0.230 3.730 3.960 0.001 0.000 0.280 384 G HA3 -0.230 3.730 3.960 0.001 0.000 0.280 384 G C 1.306 176.368 174.900 0.271 0.000 1.067 384 G CA 0.211 45.470 45.100 0.264 0.000 0.902 384 G HN 0.686 nan 8.290 nan 0.000 0.500 385 G N -0.414 108.550 108.800 0.273 0.000 2.421 385 G HA2 0.015 3.976 3.960 0.001 0.000 0.216 385 G HA3 0.015 3.976 3.960 0.001 0.000 0.216 385 G C 1.702 176.713 174.900 0.186 0.000 1.171 385 G CA 1.391 46.645 45.100 0.257 0.000 0.775 385 G HN 0.608 nan 8.290 nan 0.000 0.543 386 I N -0.213 120.424 120.570 0.113 0.000 2.522 386 I HA 0.095 4.266 4.170 0.001 0.000 0.240 386 I C 0.330 176.520 176.117 0.122 0.000 1.078 386 I CA 0.278 61.581 61.300 0.006 0.000 1.422 386 I CB 0.139 37.969 38.000 -0.283 0.000 1.188 386 I HN 0.002 nan 8.210 nan 0.000 0.442 387 D N 2.263 122.816 120.400 0.256 0.000 2.428 387 D HA 0.153 4.794 4.640 0.001 0.000 0.221 387 D C -1.995 174.453 176.300 0.246 0.000 1.123 387 D CA -2.304 51.885 54.000 0.315 0.000 0.869 387 D CB 1.313 42.443 40.800 0.551 0.000 1.032 387 D HN 0.051 nan 8.370 nan 0.000 0.506 388 P HA 0.076 nan 4.420 nan 0.000 0.282 388 P C 0.716 178.018 177.300 0.003 0.000 1.327 388 P CA -0.026 63.020 63.100 -0.090 0.000 0.949 388 P CB 0.793 32.113 31.700 -0.633 0.000 1.445 389 Q N 0.627 120.495 119.800 0.113 0.000 2.291 389 Q HA -0.064 4.277 4.340 0.001 0.000 0.205 389 Q C 1.985 178.146 176.000 0.268 0.000 0.970 389 Q CA 1.667 57.602 55.803 0.220 0.000 0.876 389 Q CB -0.935 28.004 28.738 0.335 0.000 0.935 389 Q HN 0.416 nan 8.270 nan 0.000 0.455 390 S N -0.442 115.375 115.700 0.195 0.000 2.453 390 S HA -0.030 4.441 4.470 0.001 0.000 0.231 390 S C 1.944 176.551 174.600 0.011 0.000 1.005 390 S CA 0.913 59.197 58.200 0.140 0.000 0.949 390 S CB -0.316 62.909 63.200 0.042 0.000 0.774 390 S HN 0.387 nan 8.310 nan 0.000 0.510 391 G N 1.281 110.102 108.800 0.036 0.000 2.395 391 G HA2 0.238 4.198 3.960 0.001 0.000 0.214 391 G HA3 0.238 4.198 3.960 0.001 0.000 0.214 391 G C 1.684 176.649 174.900 0.108 0.000 1.177 391 G CA 0.475 45.600 45.100 0.042 0.000 0.794 391 G HN 0.718 nan 8.290 nan 0.000 0.532 392 A N 1.269 124.163 122.820 0.122 0.000 1.940 392 A HA 0.238 4.559 4.320 0.001 0.000 0.219 392 A C 2.759 180.567 177.584 0.373 0.000 1.176 392 A CA 2.265 54.408 52.037 0.175 0.000 0.631 392 A CB -0.711 18.309 19.000 0.033 0.000 0.814 392 A HN 0.747 nan 8.150 nan 0.000 0.446 393 A N -0.752 122.320 122.820 0.420 0.000 1.969 393 A HA 0.065 4.386 4.320 0.001 0.000 0.218 393 A C 2.201 180.014 177.584 0.383 0.000 1.169 393 A CA 1.597 53.887 52.037 0.421 0.000 0.635 393 A CB -0.737 18.483 19.000 0.367 0.000 0.810 393 A HN 0.350 nan 8.150 nan 0.000 0.445 394 V N -0.473 119.604 119.914 0.271 0.000 2.358 394 V HA -0.212 3.908 4.120 0.001 0.000 0.246 394 V C 2.581 178.807 176.094 0.220 0.000 1.047 394 V CA 1.933 64.358 62.300 0.207 0.000 1.035 394 V CB -0.626 31.264 31.823 0.112 0.000 0.658 394 V HN 0.373 nan 8.190 nan 0.000 0.452 395 V N -0.568 119.486 119.914 0.233 0.000 2.295 395 V HA -0.328 3.792 4.120 0.001 0.000 0.246 395 V C 2.329 178.574 176.094 0.251 0.000 1.049 395 V CA 2.397 64.837 62.300 0.232 0.000 1.024 395 V CB -0.913 31.057 31.823 0.245 0.000 0.648 395 V HN 0.649 nan 8.190 nan 0.000 0.447 396 H N -0.573 118.630 119.070 0.220 0.000 2.319 396 H HA -0.258 4.299 4.556 0.001 0.000 0.297 396 H C 2.492 177.844 175.328 0.040 0.000 1.097 396 H CA 2.068 58.221 56.048 0.174 0.000 1.285 396 H CB 0.326 30.044 29.762 -0.074 0.000 1.368 396 H HN 0.460 nan 8.280 nan 0.000 0.495 397 E N 0.889 121.214 120.200 0.208 0.000 2.072 397 E HA -0.082 4.268 4.350 0.001 0.000 0.190 397 E C 2.315 178.900 176.600 -0.024 0.000 0.982 397 E CA 0.749 57.227 56.400 0.131 0.000 0.803 397 E CB -0.312 29.521 29.700 0.221 0.000 0.755 397 E HN 0.485 nan 8.360 nan 0.000 0.453 398 I N -0.139 120.466 120.570 0.059 0.000 2.151 398 I HA -0.317 3.853 4.170 0.001 0.000 0.243 398 I C 2.221 178.412 176.117 0.123 0.000 1.080 398 I CA 1.143 62.537 61.300 0.156 0.000 1.339 398 I CB -0.388 37.802 38.000 0.317 0.000 1.039 398 I HN 0.061 nan 8.210 nan 0.000 0.409 399 V N 0.683 120.500 119.914 -0.161 0.000 2.255 399 V HA -0.325 3.796 4.120 0.001 0.000 0.247 399 V C 2.640 178.578 176.094 -0.259 0.000 1.051 399 V CA 2.142 64.146 62.300 -0.493 0.000 1.018 399 V CB -0.820 30.450 31.823 -0.922 0.000 0.641 399 V HN 0.421 nan 8.190 nan 0.000 0.445 400 R N -0.050 120.202 120.500 -0.413 0.000 2.096 400 R HA -0.239 4.102 4.340 0.001 0.000 0.240 400 R C 2.637 178.740 176.300 -0.329 0.000 1.139 400 R CA 2.176 57.832 56.100 -0.739 0.000 0.952 400 R CB -0.545 29.146 30.300 -1.014 0.000 0.854 400 R HN 0.506 nan 8.270 nan 0.000 0.436 401 S N -0.631 114.937 115.700 -0.219 0.000 2.368 401 S HA -0.119 4.351 4.470 0.001 0.000 0.225 401 S C 1.745 176.349 174.600 0.007 0.000 1.030 401 S CA 1.067 59.163 58.200 -0.173 0.000 0.999 401 S CB -0.283 62.711 63.200 -0.344 0.000 0.844 401 S HN 0.381 nan 8.310 nan 0.000 0.459 402 F N 1.810 121.875 119.950 0.191 0.000 2.146 402 F HA 0.147 4.675 4.527 0.001 0.000 0.298 402 F C 2.623 178.527 175.800 0.173 0.000 1.096 402 F CA 1.066 59.209 58.000 0.239 0.000 1.275 402 F CB -1.041 38.102 39.000 0.238 0.000 1.008 402 F HN 0.361 nan 8.300 nan 0.000 0.480 403 G N -1.582 107.356 108.800 0.230 0.000 2.448 403 G HA2 -0.156 3.805 3.960 0.001 0.000 0.218 403 G HA3 -0.156 3.805 3.960 0.001 0.000 0.218 403 G C 1.713 176.690 174.900 0.129 0.000 1.135 403 G CA 1.292 46.492 45.100 0.166 0.000 0.784 403 G HN 0.284 nan 8.290 nan 0.000 0.543 404 T N 1.534 116.126 114.554 0.062 0.000 2.701 404 T HA -0.022 4.328 4.350 0.001 0.000 0.263 404 T C 2.424 177.170 174.700 0.076 0.000 1.040 404 T CA 0.777 62.893 62.100 0.028 0.000 1.147 404 T CB -0.242 68.593 68.868 -0.055 0.000 0.865 404 T HN 0.131 nan 8.240 nan 0.000 0.426 405 L N 1.065 122.344 121.223 0.094 0.000 2.043 405 L HA -0.163 4.177 4.340 0.001 0.000 0.212 405 L C 2.821 179.890 176.870 0.331 0.000 1.075 405 L CA 1.481 56.403 54.840 0.137 0.000 0.752 405 L CB -0.729 41.317 42.059 -0.021 0.000 0.891 405 L HN 0.226 nan 8.230 nan 0.000 0.432 406 K N 1.196 121.831 120.400 0.392 0.000 2.097 406 K HA -0.205 4.116 4.320 0.001 0.000 0.206 406 K C 2.034 178.759 176.600 0.208 0.000 1.049 406 K CA 1.525 58.016 56.287 0.340 0.000 0.933 406 K CB 0.037 32.703 32.500 0.276 0.000 0.717 406 K HN 0.257 nan 8.250 nan 0.000 0.442 407 K N 0.624 121.121 120.400 0.161 0.000 2.148 407 K HA -0.090 4.231 4.320 0.001 0.000 0.204 407 K C 1.160 177.821 176.600 0.101 0.000 1.050 407 K CA 1.179 57.533 56.287 0.111 0.000 0.942 407 K CB 0.103 32.654 32.500 0.086 0.000 0.724 407 K HN 0.252 nan 8.250 nan 0.000 0.446 408 E N -0.361 119.908 120.200 0.115 0.000 2.365 408 E HA 0.044 4.395 4.350 0.001 0.000 0.188 408 E C 0.622 177.305 176.600 0.139 0.000 1.102 408 E CA 0.231 56.694 56.400 0.105 0.000 0.927 408 E CB 0.297 30.049 29.700 0.085 0.000 1.073 408 E HN 0.474 nan 8.360 nan 0.000 0.467 409 G N 1.225 110.115 108.800 0.149 0.000 2.225 409 G HA2 -0.302 3.658 3.960 0.001 0.000 0.254 409 G HA3 -0.302 3.658 3.960 0.001 0.000 0.254 409 G C -0.072 174.942 174.900 0.191 0.000 0.988 409 G CA 0.063 45.246 45.100 0.139 0.000 0.625 409 G HN 0.449 nan 8.290 nan 0.000 0.527 410 W N 2.050 123.386 121.300 0.059 0.000 2.170 410 W HA 0.715 5.375 4.660 0.001 0.000 0.336 410 W C 0.565 177.122 176.519 0.063 0.000 1.283 410 W CA -0.202 57.184 57.345 0.068 0.000 1.224 410 W CB 0.468 29.988 29.460 0.100 0.000 1.132 410 W HN 0.189 nan 8.180 nan 0.000 0.571 411 R N 5.491 125.475 120.500 -0.859 0.000 2.725 411 R HA 0.379 4.720 4.340 0.001 0.000 0.277 411 R C -2.302 172.901 176.300 -1.829 0.000 0.987 411 R CA -1.927 53.522 56.100 -1.085 0.000 0.901 411 R CB 2.142 32.141 30.300 -0.502 0.000 1.207 411 R HN 0.268 nan 8.270 nan 0.000 0.463 412 P HA 0.041 nan 4.420 nan 0.000 0.272 412 P C -0.227 176.750 177.300 -0.538 0.000 1.230 412 P CA -0.191 62.320 63.100 -0.982 0.000 0.788 412 P CB 1.039 32.397 31.700 -0.570 0.000 0.949 413 R N 1.551 121.838 120.500 -0.355 0.000 2.081 413 R HA -0.073 4.267 4.340 0.001 0.000 0.235 413 R C 0.755 176.937 176.300 -0.197 0.000 1.131 413 R CA 1.192 57.153 56.100 -0.232 0.000 0.960 413 R CB 0.109 30.314 30.300 -0.159 0.000 0.856 413 R HN 0.484 nan 8.270 nan 0.000 0.436 414 R N 0.042 120.422 120.500 -0.200 0.000 2.643 414 R HA 0.225 4.566 4.340 0.001 0.000 0.272 414 R C -0.562 175.642 176.300 -0.159 0.000 0.995 414 R CA -0.594 55.414 56.100 -0.153 0.000 1.032 414 R CB 1.692 31.909 30.300 -0.139 0.000 1.126 414 R HN -0.009 nan 8.270 nan 0.000 0.505 415 T N 2.411 116.922 114.554 -0.072 0.000 2.930 415 T HA 0.199 4.550 4.350 0.001 0.000 0.306 415 T C 0.329 174.955 174.700 -0.122 0.000 1.045 415 T CA 0.301 62.375 62.100 -0.043 0.000 1.134 415 T CB 0.193 69.149 68.868 0.147 0.000 0.961 415 T HN 0.259 nan 8.240 nan 0.000 0.545 416 I N 3.762 124.172 120.570 -0.268 0.000 2.406 416 I HA 0.411 4.582 4.170 0.001 0.000 0.290 416 I C -0.365 175.400 176.117 -0.586 0.000 0.999 416 I CA -0.742 60.251 61.300 -0.512 0.000 1.124 416 I CB 1.442 38.959 38.000 -0.805 0.000 1.289 416 I HN 0.296 nan 8.210 nan 0.000 0.441 417 L N 5.805 126.667 121.223 -0.601 0.000 2.329 417 L HA 0.567 4.908 4.340 0.001 0.000 0.279 417 L C -1.169 175.250 176.870 -0.751 0.000 1.014 417 L CA -0.575 53.962 54.840 -0.504 0.000 0.814 417 L CB 1.499 43.391 42.059 -0.279 0.000 1.257 417 L HN 0.381 nan 8.230 nan 0.000 0.424 418 F N 1.498 121.264 119.950 -0.306 0.000 2.507 418 F HA 0.709 5.236 4.527 0.001 0.000 0.325 418 F C 0.223 175.847 175.800 -0.294 0.000 1.116 418 F CA -0.573 57.187 58.000 -0.400 0.000 0.930 418 F CB 2.065 40.621 39.000 -0.739 0.000 1.146 418 F HN 0.417 nan 8.300 nan 0.000 0.447 419 A N 1.590 124.277 122.820 -0.222 0.000 2.393 419 A HA 0.666 4.987 4.320 0.001 0.000 0.306 419 A C -0.830 176.490 177.584 -0.440 0.000 1.050 419 A CA -0.726 50.970 52.037 -0.568 0.000 0.724 419 A CB 1.615 19.617 19.000 -1.663 0.000 1.248 419 A HN 0.580 nan 8.150 nan 0.000 0.424 420 S N 2.440 117.950 115.700 -0.317 0.000 2.532 420 S HA 0.487 4.958 4.470 0.001 0.000 0.318 420 S C -0.768 173.738 174.600 -0.157 0.000 1.083 420 S CA -0.437 57.615 58.200 -0.246 0.000 1.131 420 S CB -0.288 62.721 63.200 -0.318 0.000 0.973 420 S HN 0.526 nan 8.310 nan 0.000 0.468 421 W N 2.703 124.068 121.300 0.108 0.000 2.237 421 W HA 0.410 5.070 4.660 0.001 0.000 0.335 421 W C 0.714 177.310 176.519 0.128 0.000 1.230 421 W CA -0.794 56.626 57.345 0.125 0.000 1.253 421 W CB 0.500 30.067 29.460 0.177 0.000 1.129 421 W HN 0.473 nan 8.180 nan 0.000 0.590 422 D N -0.095 120.549 120.400 0.407 0.000 2.299 422 D HA 0.387 5.028 4.640 0.001 0.000 0.243 422 D C 0.278 176.694 176.300 0.193 0.000 0.982 422 D CA 0.153 54.311 54.000 0.264 0.000 0.924 422 D CB 1.731 42.681 40.800 0.249 0.000 1.238 422 D HN 0.551 nan 8.370 nan 0.000 0.484 423 A N 1.860 124.764 122.820 0.139 0.000 2.826 423 A HA -0.229 4.091 4.320 0.001 0.000 0.274 423 A C 1.524 179.144 177.584 0.060 0.000 1.443 423 A CA 1.410 53.522 52.037 0.125 0.000 0.833 423 A CB -1.806 17.244 19.000 0.082 0.000 1.023 423 A HN 0.646 nan 8.150 nan 0.000 0.600 424 E N 0.120 120.272 120.200 -0.079 0.000 2.077 424 E HA -0.221 4.130 4.350 0.001 0.000 0.193 424 E C 1.587 178.037 176.600 -0.250 0.000 0.989 424 E CA 1.617 57.878 56.400 -0.231 0.000 0.800 424 E CB -0.096 29.285 29.700 -0.531 0.000 0.746 424 E HN 0.760 nan 8.360 nan 0.000 0.452 425 E N -0.392 119.577 120.200 -0.384 0.000 2.204 425 E HA -0.146 4.204 4.350 0.001 0.000 0.195 425 E C 1.473 177.889 176.600 -0.306 0.000 0.990 425 E CA 0.619 56.733 56.400 -0.475 0.000 0.821 425 E CB -0.328 28.638 29.700 -1.223 0.000 0.750 425 E HN 0.331 nan 8.360 nan 0.000 0.477 426 F N -0.281 119.621 119.950 -0.081 0.000 2.692 426 F HA 0.280 4.807 4.527 0.001 0.000 0.303 426 F C 1.236 177.132 175.800 0.160 0.000 1.114 426 F CA 0.436 58.536 58.000 0.167 0.000 1.361 426 F CB 0.792 39.878 39.000 0.143 0.000 1.063 426 F HN 0.025 nan 8.300 nan 0.000 0.550 427 G N 0.093 108.978 108.800 0.142 0.000 2.189 427 G HA2 -0.156 3.805 3.960 0.001 0.000 0.113 427 G HA3 -0.156 3.805 3.960 0.001 0.000 0.113 427 G C 0.384 175.237 174.900 -0.078 0.000 1.038 427 G CA -0.366 44.742 45.100 0.014 0.000 0.704 427 G HN 0.305 nan 8.290 nan 0.000 0.490 428 L N -1.630 119.540 121.223 -0.089 0.000 3.717 428 L HA -0.255 4.085 4.340 0.001 0.000 0.411 428 L C 2.006 178.761 176.870 -0.193 0.000 1.233 428 L CA 0.791 55.535 54.840 -0.160 0.000 0.917 428 L CB -1.939 39.992 42.059 -0.213 0.000 1.902 428 L HN 0.407 nan 8.230 nan 0.000 0.894 429 L N -0.494 120.658 121.223 -0.118 0.000 2.109 429 L HA -0.023 4.317 4.340 0.001 0.000 0.207 429 L C 2.573 179.337 176.870 -0.176 0.000 1.086 429 L CA 1.672 56.428 54.840 -0.139 0.000 0.760 429 L CB -0.510 41.520 42.059 -0.048 0.000 0.910 429 L HN 0.558 nan 8.230 nan 0.000 0.437 430 G N 0.477 109.223 108.800 -0.089 0.000 2.433 430 G HA2 -0.282 3.679 3.960 0.001 0.000 0.216 430 G HA3 -0.282 3.679 3.960 0.001 0.000 0.216 430 G C 1.826 176.603 174.900 -0.205 0.000 1.186 430 G CA 1.084 46.184 45.100 0.000 0.000 0.779 430 G HN 0.483 nan 8.290 nan 0.000 0.543 431 S N 0.098 115.444 115.700 -0.589 0.000 2.368 431 S HA -0.125 4.345 4.470 0.001 0.000 0.225 431 S C 2.254 176.460 174.600 -0.657 0.000 1.030 431 S CA 2.107 59.579 58.200 -1.214 0.000 0.999 431 S CB -0.850 61.561 63.200 -1.315 0.000 0.844 431 S HN 0.287 nan 8.310 nan 0.000 0.459 432 T N 2.199 116.443 114.554 -0.516 0.000 2.770 432 T HA 0.002 4.352 4.350 0.001 0.000 0.263 432 T C 1.833 176.269 174.700 -0.441 0.000 1.039 432 T CA 1.334 63.148 62.100 -0.476 0.000 1.142 432 T CB -0.350 68.266 68.868 -0.420 0.000 0.868 432 T HN 0.373 nan 8.240 nan 0.000 0.435 433 E N 0.299 120.216 120.200 -0.472 0.000 2.085 433 E HA -0.144 4.206 4.350 0.001 0.000 0.194 433 E C 1.807 178.053 176.600 -0.590 0.000 0.994 433 E CA 0.982 56.997 56.400 -0.642 0.000 0.801 433 E CB -0.436 28.664 29.700 -1.000 0.000 0.743 433 E HN 0.658 nan 8.360 nan 0.000 0.453 434 W N 1.509 122.471 121.300 -0.564 0.000 2.358 434 W HA -0.120 4.541 4.660 0.001 0.000 0.303 434 W C 2.396 178.858 176.519 -0.096 0.000 1.208 434 W CA 2.336 59.600 57.345 -0.134 0.000 1.274 434 W CB -0.273 29.290 29.460 0.171 0.000 1.138 434 W HN 0.061 nan 8.180 nan 0.000 0.515 435 A N -0.021 122.731 122.820 -0.113 0.000 1.969 435 A HA -0.167 4.154 4.320 0.001 0.000 0.218 435 A C 1.784 179.165 177.584 -0.339 0.000 1.169 435 A CA 1.701 53.564 52.037 -0.290 0.000 0.635 435 A CB -0.704 17.994 19.000 -0.503 0.000 0.810 435 A HN 0.465 nan 8.150 nan 0.000 0.445 436 E N -0.586 119.411 120.200 -0.338 0.000 2.150 436 E HA -0.206 4.145 4.350 0.001 0.000 0.193 436 E C 1.969 178.431 176.600 -0.230 0.000 0.985 436 E CA 1.177 57.401 56.400 -0.294 0.000 0.814 436 E CB -0.082 29.428 29.700 -0.318 0.000 0.752 436 E HN 0.831 nan 8.360 nan 0.000 0.466 437 E N 0.673 120.728 120.200 -0.242 0.000 2.152 437 E HA -0.104 4.247 4.350 0.001 0.000 0.192 437 E C 1.067 177.531 176.600 -0.225 0.000 0.983 437 E CA 0.725 57.024 56.400 -0.168 0.000 0.818 437 E CB 0.268 29.921 29.700 -0.077 0.000 0.758 437 E HN 0.102 nan 8.360 nan 0.000 0.467 438 N N 0.173 118.639 118.700 -0.391 0.000 2.275 438 N HA 0.011 4.752 4.740 0.001 0.000 0.236 438 N C 1.026 176.403 175.510 -0.222 0.000 1.154 438 N CA 0.477 53.299 53.050 -0.380 0.000 0.866 438 N CB 1.072 39.075 38.487 -0.806 0.000 1.093 438 N HN 0.117 nan 8.380 nan 0.000 0.515 439 S N 1.036 116.635 115.700 -0.170 0.000 2.383 439 S HA -0.147 4.324 4.470 0.001 0.000 0.229 439 S C 1.916 176.503 174.600 -0.021 0.000 1.030 439 S CA 0.731 58.875 58.200 -0.094 0.000 1.002 439 S CB -0.135 63.003 63.200 -0.105 0.000 0.829 439 S HN 0.249 nan 8.310 nan 0.000 0.467 440 R N 1.163 121.653 120.500 -0.017 0.000 2.096 440 R HA 0.159 4.500 4.340 0.001 0.000 0.235 440 R C 2.401 178.735 176.300 0.057 0.000 1.127 440 R CA 1.459 57.571 56.100 0.021 0.000 0.968 440 R CB -0.692 29.617 30.300 0.016 0.000 0.861 440 R HN 0.405 nan 8.270 nan 0.000 0.440 441 L N 0.320 121.584 121.223 0.067 0.000 2.017 441 L HA -0.176 4.165 4.340 0.001 0.000 0.208 441 L C 2.301 179.295 176.870 0.207 0.000 1.073 441 L CA 1.340 56.273 54.840 0.156 0.000 0.745 441 L CB -0.566 41.618 42.059 0.208 0.000 0.894 441 L HN 0.206 nan 8.230 nan 0.000 0.432 442 L N -0.176 121.161 121.223 0.190 0.000 2.093 442 L HA -0.205 4.135 4.340 0.001 0.000 0.208 442 L C 2.823 179.818 176.870 0.207 0.000 1.085 442 L CA 1.281 56.279 54.840 0.264 0.000 0.755 442 L CB -0.536 41.682 42.059 0.265 0.000 0.904 442 L HN 0.440 nan 8.230 nan 0.000 0.435 443 Q N -0.522 119.369 119.800 0.151 0.000 2.245 443 Q HA -0.131 4.209 4.340 0.001 0.000 0.201 443 Q C 1.361 177.499 176.000 0.230 0.000 0.955 443 Q CA 0.922 56.824 55.803 0.166 0.000 0.870 443 Q CB -0.006 28.800 28.738 0.113 0.000 0.945 443 Q HN 0.404 nan 8.270 nan 0.000 0.461 444 E N 0.867 121.177 120.200 0.183 0.000 2.400 444 E HA 0.070 4.421 4.350 0.001 0.000 0.195 444 E C 1.147 177.801 176.600 0.089 0.000 1.012 444 E CA 0.352 56.894 56.400 0.236 0.000 0.875 444 E CB 0.458 30.249 29.700 0.151 0.000 0.859 444 E HN 0.466 nan 8.360 nan 0.000 0.498 445 R N -0.034 120.455 120.500 -0.018 0.000 2.531 445 R HA 0.221 4.562 4.340 0.001 0.000 0.316 445 R C 0.775 176.962 176.300 -0.189 0.000 0.955 445 R CA 0.158 56.117 56.100 -0.234 0.000 1.120 445 R CB 1.239 31.216 30.300 -0.539 0.000 1.361 445 R HN -0.108 nan 8.270 nan 0.000 0.534 446 G N 0.621 109.438 108.800 0.028 0.000 2.338 446 G HA2 0.314 4.274 3.960 0.001 0.000 0.295 446 G HA3 0.314 4.274 3.960 0.001 0.000 0.295 446 G C 0.739 175.704 174.900 0.109 0.000 1.132 446 G CA -0.427 44.774 45.100 0.167 0.000 0.922 446 G HN -0.085 nan 8.290 nan 0.000 0.427 447 V N 2.285 122.269 119.914 0.117 0.000 2.426 447 V HA 0.440 4.561 4.120 0.001 0.000 0.242 447 V C 1.439 177.704 176.094 0.286 0.000 1.036 447 V CA 1.926 64.312 62.300 0.143 0.000 1.044 447 V CB -0.341 31.513 31.823 0.053 0.000 0.688 447 V HN 0.992 nan 8.190 nan 0.000 0.462 448 A N -1.420 121.549 122.820 0.248 0.000 2.605 448 A HA 0.670 4.991 4.320 0.001 0.000 0.294 448 A C -2.090 175.627 177.584 0.221 0.000 1.062 448 A CA -0.362 51.841 52.037 0.276 0.000 0.682 448 A CB 1.146 20.321 19.000 0.291 0.000 1.278 448 A HN 0.193 nan 8.150 nan 0.000 0.410 449 Y N 2.671 123.028 120.300 0.095 0.000 2.361 449 Y HA 0.690 5.240 4.550 0.001 0.000 0.337 449 Y C -1.169 174.746 175.900 0.024 0.000 0.965 449 Y CA -1.083 57.010 58.100 -0.011 0.000 1.091 449 Y CB 1.166 39.566 38.460 -0.100 0.000 1.182 449 Y HN 0.547 nan 8.280 nan 0.000 0.450 450 I N 5.638 125.876 120.570 -0.554 0.000 2.406 450 I HA 0.254 4.425 4.170 0.001 0.000 0.290 450 I C -0.336 175.415 176.117 -0.611 0.000 0.999 450 I CA -0.798 60.281 61.300 -0.368 0.000 1.124 450 I CB 1.208 39.100 38.000 -0.180 0.000 1.289 450 I HN 0.703 nan 8.210 nan 0.000 0.441 451 N N 3.875 122.442 118.700 -0.221 0.000 2.463 451 N HA 0.678 5.418 4.740 0.001 0.000 0.270 451 N C -0.235 175.312 175.510 0.061 0.000 1.205 451 N CA -0.193 52.891 53.050 0.058 0.000 0.974 451 N CB 1.371 40.126 38.487 0.446 0.000 1.197 451 N HN 0.720 nan 8.380 nan 0.000 0.504 452 A N 1.034 123.939 122.820 0.142 0.000 3.368 452 A HA 0.179 4.500 4.320 0.001 0.000 0.211 452 A C -0.470 177.186 177.584 0.121 0.000 1.004 452 A CA -0.574 51.524 52.037 0.102 0.000 1.059 452 A CB -0.348 18.697 19.000 0.075 0.000 1.298 452 A HN 0.633 nan 8.150 nan 0.000 0.613 453 D N 0.540 121.034 120.400 0.157 0.000 2.376 453 D HA 0.282 4.923 4.640 0.001 0.000 0.281 453 D C 0.688 177.030 176.300 0.069 0.000 1.215 453 D CA -0.036 54.037 54.000 0.122 0.000 1.062 453 D CB 0.621 41.558 40.800 0.228 0.000 1.124 453 D HN 0.235 nan 8.370 nan 0.000 0.550 454 S N -0.534 115.212 115.700 0.077 0.000 2.931 454 S HA -0.047 4.423 4.470 0.001 0.000 0.342 454 S C 1.319 175.909 174.600 -0.016 0.000 1.220 454 S CA -0.001 58.219 58.200 0.033 0.000 1.045 454 S CB 0.270 63.515 63.200 0.075 0.000 0.758 454 S HN 0.323 nan 8.310 nan 0.000 0.508 455 S N 1.982 117.627 115.700 -0.090 0.000 2.428 455 S HA 0.072 4.543 4.470 0.001 0.000 0.230 455 S C 0.904 175.455 174.600 -0.081 0.000 1.014 455 S CA 0.523 58.650 58.200 -0.122 0.000 0.957 455 S CB -0.376 62.640 63.200 -0.306 0.000 0.784 455 S HN 0.811 nan 8.310 nan 0.000 0.499 456 I N -0.515 119.987 120.570 -0.113 0.000 2.619 456 I HA 0.515 4.686 4.170 0.001 0.000 0.292 456 I C -0.313 175.678 176.117 -0.210 0.000 1.100 456 I CA -0.752 60.500 61.300 -0.081 0.000 1.043 456 I CB 2.315 40.294 38.000 -0.034 0.000 1.239 456 I HN 0.034 nan 8.210 nan 0.000 0.420 457 E N 3.826 123.937 120.200 -0.148 0.000 2.758 457 E HA 0.619 4.970 4.350 0.001 0.000 0.215 457 E C 0.226 176.808 176.600 -0.029 0.000 0.985 457 E CA -0.498 55.774 56.400 -0.214 0.000 1.102 457 E CB 1.185 30.886 29.700 0.002 0.000 1.042 457 E HN 1.040 nan 8.360 nan 0.000 0.480 458 G N 1.620 110.446 108.800 0.043 0.000 2.320 458 G HA2 0.174 4.135 3.960 0.001 0.000 0.296 458 G HA3 0.174 4.135 3.960 0.001 0.000 0.296 458 G C -1.292 173.580 174.900 -0.048 0.000 1.306 458 G CA -0.270 44.837 45.100 0.012 0.000 0.836 458 G HN 0.097 nan 8.290 nan 0.000 0.517 459 N N -1.609 116.993 118.700 -0.163 0.000 2.307 459 N HA 0.134 4.875 4.740 0.001 0.000 0.248 459 N C 0.365 175.780 175.510 -0.158 0.000 1.322 459 N CA -0.263 52.562 53.050 -0.376 0.000 0.861 459 N CB 0.074 38.209 38.487 -0.586 0.000 1.303 459 N HN 0.452 nan 8.380 nan 0.000 0.498 460 Y N 0.984 121.200 120.300 -0.141 0.000 2.163 460 Y HA 0.331 4.881 4.550 0.001 0.000 0.288 460 Y C 0.640 176.476 175.900 -0.107 0.000 1.112 460 Y CA 1.305 59.353 58.100 -0.087 0.000 1.104 460 Y CB 0.031 38.434 38.460 -0.095 0.000 1.016 460 Y HN 0.125 nan 8.280 nan 0.000 0.497 461 T N -1.331 112.962 114.554 -0.435 0.000 2.671 461 T HA 0.373 4.724 4.350 0.001 0.000 0.300 461 T C -1.951 171.967 174.700 -1.304 0.000 1.238 461 T CA -0.691 60.902 62.100 -0.845 0.000 1.020 461 T CB 0.348 68.846 68.868 -0.617 0.000 1.503 461 T HN 0.028 nan 8.240 nan 0.000 0.497 462 L N 2.457 122.970 121.223 -1.185 0.000 2.456 462 L HA 0.556 4.897 4.340 0.001 0.000 0.272 462 L C 0.333 176.776 176.870 -0.712 0.000 1.189 462 L CA 0.393 54.577 54.840 -1.094 0.000 0.846 462 L CB 0.335 41.612 42.059 -1.303 0.000 1.111 462 L HN 0.523 nan 8.230 nan 0.000 0.475 463 R N 3.701 123.887 120.500 -0.522 0.000 2.513 463 R HA 0.679 5.019 4.340 0.001 0.000 0.301 463 R C -1.980 174.163 176.300 -0.262 0.000 0.968 463 R CA -0.621 55.321 56.100 -0.264 0.000 0.872 463 R CB 1.564 31.759 30.300 -0.175 0.000 1.177 463 R HN 0.507 nan 8.270 nan 0.000 0.444 464 V N 4.208 124.033 119.914 -0.148 0.000 2.531 464 V HA 0.331 4.452 4.120 0.001 0.000 0.301 464 V C -1.195 174.869 176.094 -0.049 0.000 1.034 464 V CA -0.893 61.337 62.300 -0.116 0.000 0.865 464 V CB 2.078 33.834 31.823 -0.112 0.000 0.995 464 V HN 0.751 nan 8.190 nan 0.000 0.424 465 D N 3.869 124.197 120.400 -0.120 0.000 2.391 465 D HA 0.769 5.410 4.640 0.001 0.000 0.245 465 D C -0.397 175.758 176.300 -0.243 0.000 1.069 465 D CA -0.118 53.777 54.000 -0.175 0.000 0.831 465 D CB 1.853 42.504 40.800 -0.248 0.000 1.204 465 D HN 0.870 nan 8.370 nan 0.000 0.503 466 C N -0.703 118.469 119.300 -0.214 0.000 3.306 466 C HA 0.744 5.204 4.460 0.001 0.000 0.335 466 C C 0.217 175.018 174.990 -0.316 0.000 1.382 466 C CA -0.967 57.885 59.018 -0.277 0.000 1.254 466 C CB 1.218 28.901 27.740 -0.094 0.000 1.555 466 C HN 0.573 nan 8.230 nan 0.000 0.463 467 T N 1.457 115.758 114.554 -0.420 0.000 2.932 467 T HA 0.325 4.675 4.350 0.001 0.000 0.312 467 T C -1.230 173.169 174.700 -0.501 0.000 1.071 467 T CA -0.041 61.826 62.100 -0.388 0.000 1.128 467 T CB 0.433 69.210 68.868 -0.152 0.000 0.984 467 T HN 0.682 nan 8.240 nan 0.000 0.549 468 P HA -0.051 nan 4.420 nan 0.000 0.220 468 P C 1.473 178.244 177.300 -0.883 0.000 1.144 468 P CA 1.007 63.160 63.100 -1.578 0.000 0.800 468 P CB -0.058 30.776 31.700 -1.443 0.000 0.772 469 L N -2.436 118.494 121.223 -0.487 0.000 2.353 469 L HA -0.057 4.283 4.340 0.001 0.000 0.220 469 L C 2.076 178.928 176.870 -0.030 0.000 1.133 469 L CA 1.193 55.902 54.840 -0.218 0.000 0.798 469 L CB -0.567 41.243 42.059 -0.416 0.000 0.922 469 L HN 0.059 nan 8.230 nan 0.000 0.445 470 M N -2.562 117.019 119.600 -0.032 0.000 2.356 470 M HA 0.045 4.526 4.480 0.001 0.000 0.262 470 M C 1.279 177.714 176.300 0.225 0.000 1.097 470 M CA -0.132 55.269 55.300 0.167 0.000 0.991 470 M CB 0.427 33.118 32.600 0.152 0.000 1.450 470 M HN 0.041 nan 8.290 nan 0.000 0.495 471 Y N 0.468 120.751 120.300 -0.029 0.000 2.128 471 Y HA -0.191 4.360 4.550 0.001 0.000 0.284 471 Y C 2.664 178.419 175.900 -0.242 0.000 1.154 471 Y CA 1.262 59.281 58.100 -0.135 0.000 1.149 471 Y CB -1.121 37.196 38.460 -0.238 0.000 0.976 471 Y HN 0.215 nan 8.280 nan 0.000 0.505 472 S N 0.022 115.741 115.700 0.031 0.000 2.387 472 S HA -0.129 4.341 4.470 0.001 0.000 0.226 472 S C 2.118 176.803 174.600 0.141 0.000 1.026 472 S CA 0.963 59.181 58.200 0.029 0.000 0.972 472 S CB -0.720 62.522 63.200 0.070 0.000 0.814 472 S HN 0.390 nan 8.310 nan 0.000 0.477 473 L N 1.909 123.235 121.223 0.171 0.000 2.042 473 L HA -0.064 4.276 4.340 0.001 0.000 0.210 473 L C 2.056 179.053 176.870 0.211 0.000 1.076 473 L CA 1.688 56.636 54.840 0.180 0.000 0.749 473 L CB -0.554 41.620 42.059 0.192 0.000 0.893 473 L HN 0.130 nan 8.230 nan 0.000 0.432 474 V N -0.661 119.413 119.914 0.267 0.000 2.407 474 V HA -0.226 3.895 4.120 0.001 0.000 0.245 474 V C 2.398 178.767 176.094 0.458 0.000 1.041 474 V CA 1.711 64.202 62.300 0.320 0.000 1.040 474 V CB -0.830 31.205 31.823 0.354 0.000 0.671 474 V HN 0.589 nan 8.190 nan 0.000 0.455 475 H N 0.397 119.642 119.070 0.292 0.000 2.289 475 H HA -0.193 4.363 4.556 0.001 0.000 0.296 475 H C 2.277 177.675 175.328 0.116 0.000 1.091 475 H CA 1.771 57.983 56.048 0.272 0.000 1.274 475 H CB 0.058 29.920 29.762 0.167 0.000 1.364 475 H HN 0.399 nan 8.280 nan 0.000 0.490 476 N N 0.639 119.469 118.700 0.217 0.000 2.142 476 N HA -0.106 4.635 4.740 0.001 0.000 0.186 476 N C 1.999 177.572 175.510 0.105 0.000 1.023 476 N CA 0.451 53.561 53.050 0.101 0.000 0.852 476 N CB -0.397 38.146 38.487 0.094 0.000 0.998 476 N HN 0.190 nan 8.380 nan 0.000 0.424 477 L N 1.020 122.331 121.223 0.147 0.000 2.027 477 L HA -0.084 4.256 4.340 0.001 0.000 0.206 477 L C 2.047 178.991 176.870 0.123 0.000 1.074 477 L CA 1.752 56.666 54.840 0.122 0.000 0.745 477 L CB -1.289 40.848 42.059 0.130 0.000 0.898 477 L HN 0.317 nan 8.230 nan 0.000 0.433 478 T N -4.065 110.601 114.554 0.186 0.000 3.051 478 T HA -0.128 4.222 4.350 0.001 0.000 0.269 478 T C 1.762 176.587 174.700 0.208 0.000 1.127 478 T CA 1.081 63.304 62.100 0.206 0.000 1.107 478 T CB -0.404 68.658 68.868 0.323 0.000 0.898 478 T HN 0.355 nan 8.240 nan 0.000 0.517 479 K N 0.840 121.323 120.400 0.138 0.000 2.305 479 K HA 0.112 4.433 4.320 0.001 0.000 0.199 479 K C 1.994 178.624 176.600 0.050 0.000 1.047 479 K CA 0.718 57.043 56.287 0.064 0.000 0.976 479 K CB 0.124 32.571 32.500 -0.090 0.000 0.765 479 K HN 0.461 nan 8.250 nan 0.000 0.474 480 E N 0.354 120.583 120.200 0.047 0.000 2.479 480 E HA 0.102 4.453 4.350 0.001 0.000 0.193 480 E C -0.378 176.236 176.600 0.022 0.000 1.049 480 E CA 0.016 56.432 56.400 0.026 0.000 0.870 480 E CB 0.355 30.065 29.700 0.016 0.000 0.944 480 E HN 0.149 nan 8.360 nan 0.000 0.492 481 L N 0.891 122.140 121.223 0.042 0.000 2.342 481 L HA 0.408 4.749 4.340 0.001 0.000 0.271 481 L C -0.089 176.804 176.870 0.037 0.000 1.008 481 L CA -0.952 53.905 54.840 0.027 0.000 0.818 481 L CB 1.894 43.972 42.059 0.031 0.000 1.296 481 L HN -0.226 nan 8.230 nan 0.000 0.427 482 K N 1.204 121.613 120.400 0.015 0.000 2.276 482 K HA 0.217 4.538 4.320 0.001 0.000 0.283 482 K C -0.055 176.562 176.600 0.028 0.000 1.044 482 K CA -0.221 56.079 56.287 0.022 0.000 0.944 482 K CB 1.505 34.004 32.500 -0.003 0.000 1.012 482 K HN 0.485 nan 8.250 nan 0.000 0.472 483 S N 3.142 118.874 115.700 0.054 0.000 2.549 483 S HA 0.083 4.553 4.470 0.001 0.000 0.286 483 S C -1.439 173.185 174.600 0.040 0.000 1.314 483 S CA -1.176 57.059 58.200 0.057 0.000 1.062 483 S CB 0.453 63.695 63.200 0.070 0.000 0.865 483 S HN 0.475 nan 8.310 nan 0.000 0.498 484 P HA 0.275 nan 4.420 nan 0.000 0.267 484 P C -0.674 176.624 177.300 -0.003 0.000 1.289 484 P CA -0.177 62.874 63.100 -0.082 0.000 0.866 484 P CB 0.052 31.598 31.700 -0.257 0.000 1.309 485 D N 0.612 121.099 120.400 0.146 0.000 2.362 485 D HA 0.063 4.703 4.640 0.001 0.000 0.242 485 D C 0.241 176.687 176.300 0.243 0.000 1.132 485 D CA 0.153 54.302 54.000 0.249 0.000 0.907 485 D CB 0.507 41.445 40.800 0.229 0.000 1.195 485 D HN -0.091 nan 8.370 nan 0.000 0.429 486 E N -0.051 120.287 120.200 0.229 0.000 2.351 486 E HA 0.438 4.789 4.350 0.001 0.000 0.266 486 E C 1.269 177.975 176.600 0.177 0.000 1.031 486 E CA 0.106 56.601 56.400 0.160 0.000 0.911 486 E CB 0.479 30.258 29.700 0.131 0.000 0.986 486 E HN 0.745 nan 8.360 nan 0.000 0.446 487 G N 1.689 110.529 108.800 0.067 0.000 2.144 487 G HA2 -0.269 3.691 3.960 0.001 0.000 0.218 487 G HA3 -0.269 3.691 3.960 0.001 0.000 0.218 487 G C 0.186 174.864 174.900 -0.371 0.000 0.988 487 G CA -0.064 44.961 45.100 -0.125 0.000 0.659 487 G HN 0.588 nan 8.290 nan 0.000 0.522 488 F N 1.472 121.435 119.950 0.021 0.000 2.802 488 F HA 0.283 4.811 4.527 0.001 0.000 0.346 488 F C 0.661 176.470 175.800 0.015 0.000 1.229 488 F CA -0.603 57.409 58.000 0.021 0.000 1.142 488 F CB 0.547 39.565 39.000 0.030 0.000 1.146 488 F HN 0.165 nan 8.300 nan 0.000 0.510 489 E N -0.014 120.250 120.200 0.107 0.000 2.373 489 E HA 0.415 4.765 4.350 0.001 0.000 0.267 489 E C 1.287 177.917 176.600 0.051 0.000 1.032 489 E CA 0.559 56.998 56.400 0.065 0.000 0.889 489 E CB 1.026 30.741 29.700 0.025 0.000 0.984 489 E HN 0.394 nan 8.360 nan 0.000 0.425 490 G N 3.217 112.044 108.800 0.044 0.000 2.507 490 G HA2 -0.352 3.609 3.960 0.001 0.000 0.240 490 G HA3 -0.352 3.609 3.960 0.001 0.000 0.240 490 G C 0.295 175.234 174.900 0.065 0.000 1.119 490 G CA 0.742 45.866 45.100 0.039 0.000 0.664 490 G HN 0.517 nan 8.290 nan 0.000 0.516 491 K N 1.368 121.833 120.400 0.109 0.000 2.138 491 K HA 0.511 4.831 4.320 0.001 0.000 0.251 491 K C 0.955 177.639 176.600 0.140 0.000 1.015 491 K CA 0.326 56.704 56.287 0.152 0.000 0.917 491 K CB 0.896 33.550 32.500 0.257 0.000 1.021 491 K HN 0.529 nan 8.250 nan 0.000 0.485 492 S N 0.883 116.665 115.700 0.137 0.000 2.610 492 S HA 0.069 4.540 4.470 0.001 0.000 0.273 492 S C 1.004 175.672 174.600 0.113 0.000 1.274 492 S CA -0.756 57.516 58.200 0.121 0.000 1.023 492 S CB 0.958 64.241 63.200 0.138 0.000 0.962 492 S HN 0.603 nan 8.310 nan 0.000 0.523 493 L N 2.044 123.331 121.223 0.106 0.000 2.043 493 L HA -0.057 4.283 4.340 0.001 0.000 0.212 493 L C 2.031 178.992 176.870 0.152 0.000 1.075 493 L CA 2.008 56.903 54.840 0.092 0.000 0.752 493 L CB -1.616 40.493 42.059 0.084 0.000 0.891 493 L HN 0.926 nan 8.230 nan 0.000 0.432 494 Y N 0.703 121.066 120.300 0.106 0.000 2.114 494 Y HA -0.309 4.241 4.550 0.001 0.000 0.282 494 Y C 2.481 178.393 175.900 0.020 0.000 1.165 494 Y CA 2.432 60.604 58.100 0.121 0.000 1.148 494 Y CB -0.190 38.301 38.460 0.052 0.000 0.972 494 Y HN 0.411 nan 8.280 nan 0.000 0.504 495 E N -0.559 119.707 120.200 0.110 0.000 2.051 495 E HA -0.204 4.147 4.350 0.001 0.000 0.192 495 E C 2.376 178.870 176.600 -0.177 0.000 0.991 495 E CA 1.735 58.145 56.400 0.017 0.000 0.799 495 E CB -0.237 29.556 29.700 0.155 0.000 0.748 495 E HN 0.617 nan 8.360 nan 0.000 0.449 496 S N 0.617 116.108 115.700 -0.348 0.000 2.356 496 S HA -0.195 4.276 4.470 0.001 0.000 0.223 496 S C 1.766 176.085 174.600 -0.469 0.000 1.032 496 S CA 0.850 58.530 58.200 -0.867 0.000 1.005 496 S CB -0.777 61.771 63.200 -1.087 0.000 0.867 496 S HN 0.462 nan 8.310 nan 0.000 0.449 497 W N 3.021 124.031 121.300 -0.484 0.000 2.335 497 W HA -0.145 4.516 4.660 0.001 0.000 0.311 497 W C 2.777 179.027 176.519 -0.448 0.000 1.213 497 W CA 2.156 59.231 57.345 -0.449 0.000 1.274 497 W CB -1.299 27.930 29.460 -0.384 0.000 1.148 497 W HN 0.424 nan 8.180 nan 0.000 0.498 498 T N -0.222 113.986 114.554 -0.577 0.000 2.985 498 T HA -0.044 4.307 4.350 0.001 0.000 0.266 498 T C 2.125 176.602 174.700 -0.372 0.000 1.076 498 T CA 2.975 64.665 62.100 -0.683 0.000 1.135 498 T CB -0.378 67.953 68.868 -0.895 0.000 0.890 498 T HN 0.134 nan 8.240 nan 0.000 0.480 499 K N 1.454 121.702 120.400 -0.252 0.000 2.057 499 K HA 0.057 4.378 4.320 0.001 0.000 0.206 499 K C 2.278 178.810 176.600 -0.113 0.000 1.050 499 K CA 1.618 57.839 56.287 -0.110 0.000 0.935 499 K CB -0.749 31.786 32.500 0.058 0.000 0.715 499 K HN 0.634 nan 8.250 nan 0.000 0.439 500 K N -0.537 119.739 120.400 -0.206 0.000 2.305 500 K HA 0.060 4.380 4.320 0.001 0.000 0.199 500 K C 0.536 177.074 176.600 -0.103 0.000 1.047 500 K CA 0.907 57.068 56.287 -0.210 0.000 0.976 500 K CB 0.367 32.521 32.500 -0.576 0.000 0.765 500 K HN 0.234 nan 8.250 nan 0.000 0.474 501 S N 1.459 117.063 115.700 -0.159 0.000 2.356 501 S HA 0.250 4.720 4.470 0.001 0.000 0.171 501 S C -2.866 171.580 174.600 -0.256 0.000 1.399 501 S CA -1.461 56.666 58.200 -0.123 0.000 1.225 501 S CB 0.709 63.891 63.200 -0.031 0.000 1.271 501 S HN -0.097 nan 8.310 nan 0.000 0.427 502 P HA 0.333 nan 4.420 nan 0.000 0.284 502 P C -0.351 176.832 177.300 -0.196 0.000 1.258 502 P CA -0.408 62.548 63.100 -0.241 0.000 0.824 502 P CB 1.121 32.726 31.700 -0.158 0.000 1.038 503 S N 2.122 117.693 115.700 -0.215 0.000 2.549 503 S HA 0.220 4.690 4.470 0.001 0.000 0.279 503 S C -1.360 173.187 174.600 -0.090 0.000 1.321 503 S CA -0.648 57.461 58.200 -0.151 0.000 1.054 503 S CB -0.333 62.776 63.200 -0.152 0.000 0.899 503 S HN 0.368 nan 8.310 nan 0.000 0.497 504 P HA 0.044 nan 4.420 nan 0.000 0.215 504 P C 1.503 178.793 177.300 -0.016 0.000 1.157 504 P CA 1.807 64.891 63.100 -0.027 0.000 0.859 504 P CB -0.501 31.193 31.700 -0.010 0.000 0.786 505 E N -0.503 119.690 120.200 -0.011 0.000 2.501 505 E HA 0.206 4.556 4.350 0.001 0.000 0.203 505 E C 0.625 177.226 176.600 0.002 0.000 1.072 505 E CA 0.976 57.380 56.400 0.007 0.000 0.885 505 E CB -1.550 nan 29.700 nan 0.000 0.813 505 E HN 0.509 nan 8.360 nan 0.000 0.556 506 F N -4.541 115.400 119.950 -0.015 0.000 2.475 506 F HA 0.511 5.039 4.527 0.001 0.000 0.266 506 F C 0.554 176.336 175.800 -0.029 0.000 0.851 506 F CA 0.041 58.035 58.000 -0.009 0.000 0.889 506 F CB -0.745 nan 39.000 nan 0.000 1.754 506 F HN 1.230 nan 8.300 nan 0.000 0.612 507 S N 0.522 116.197 115.700 -0.041 0.000 7.136 507 S HA 0.671 5.142 4.470 0.001 0.000 0.083 507 S C 1.733 176.308 174.600 -0.041 0.000 1.523 507 S CA 0.734 58.921 58.200 -0.021 0.000 0.937 507 S CB -1.076 nan 63.200 nan 0.000 0.998 507 S HN 2.593 nan 8.310 nan 0.000 0.529 508 G N 1.893 110.675 108.800 -0.029 0.000 3.949 508 G HA2 0.558 4.519 3.960 0.001 0.000 0.295 508 G HA3 0.558 4.519 3.960 0.001 0.000 0.295 508 G C -0.039 174.809 174.900 -0.087 0.000 1.286 508 G CA 0.058 45.132 45.100 -0.044 0.000 1.171 508 G HN 0.455 nan 8.290 nan 0.000 0.586 509 M N 0.650 120.148 119.600 -0.171 0.000 2.550 509 M HA 0.397 4.878 4.480 0.001 0.000 0.292 509 M C -2.830 173.160 176.300 -0.517 0.000 1.221 509 M CA -2.136 52.988 55.300 -0.293 0.000 0.873 509 M CB 2.868 35.391 32.600 -0.129 0.000 1.727 509 M HN -0.159 nan 8.290 nan 0.000 0.459 510 P HA 0.180 nan 4.420 nan 0.000 0.274 510 P C -0.958 175.897 177.300 -0.741 0.000 1.231 510 P CA -0.397 62.000 63.100 -1.171 0.000 0.790 510 P CB 0.704 30.904 31.700 -2.499 0.000 0.951 511 R N 2.895 123.089 120.500 -0.509 0.000 2.522 511 R HA 0.246 4.587 4.340 0.001 0.000 0.284 511 R C -0.630 175.597 176.300 -0.122 0.000 1.032 511 R CA 0.118 56.073 56.100 -0.241 0.000 1.049 511 R CB -0.369 29.855 30.300 -0.127 0.000 0.956 511 R HN 0.480 nan 8.270 nan 0.000 0.422 512 I N 3.082 123.578 120.570 -0.124 0.000 2.498 512 I HA 0.190 4.361 4.170 0.001 0.000 0.290 512 I C -0.259 175.825 176.117 -0.055 0.000 1.032 512 I CA -0.684 60.590 61.300 -0.044 0.000 1.073 512 I CB 2.356 40.240 38.000 -0.193 0.000 1.251 512 I HN 0.629 nan 8.210 nan 0.000 0.426 513 S N 4.530 120.212 115.700 -0.031 0.000 2.713 513 S HA 0.448 4.918 4.470 0.001 0.000 0.283 513 S C -0.193 174.354 174.600 -0.088 0.000 1.161 513 S CA -0.933 57.240 58.200 -0.045 0.000 0.999 513 S CB 1.305 64.470 63.200 -0.058 0.000 1.039 513 S HN 0.415 nan 8.310 nan 0.000 0.548 514 K N 0.858 121.195 120.400 -0.105 0.000 2.295 514 K HA 0.263 4.583 4.320 0.001 0.000 0.270 514 K C -0.713 175.700 176.600 -0.313 0.000 1.011 514 K CA -0.113 56.028 56.287 -0.243 0.000 0.953 514 K CB 0.245 32.658 32.500 -0.145 0.000 0.956 514 K HN 0.397 nan 8.250 nan 0.000 0.477 515 L N 2.019 122.943 121.223 -0.499 0.000 2.290 515 L HA 0.161 4.501 4.340 0.001 0.000 0.284 515 L C 1.084 177.868 176.870 -0.144 0.000 1.078 515 L CA -0.123 54.451 54.840 -0.443 0.000 0.815 515 L CB 1.133 42.723 42.059 -0.781 0.000 1.162 515 L HN 0.875 nan 8.230 nan 0.000 0.435 516 G N 1.314 110.135 108.800 0.035 0.000 3.223 516 G HA2 0.438 4.399 3.960 0.001 0.000 0.198 516 G HA3 0.438 4.399 3.960 0.001 0.000 0.198 516 G C -0.120 174.948 174.900 0.279 0.000 1.980 516 G CA 0.354 45.516 45.100 0.103 0.000 0.828 516 G HN 0.556 nan 8.290 nan 0.000 0.680 517 S N -3.777 112.041 115.700 0.196 0.000 3.070 517 S HA 0.502 4.972 4.470 0.001 0.000 0.320 517 S C 0.495 175.090 174.600 -0.009 0.000 1.215 517 S CA 0.806 59.010 58.200 0.007 0.000 0.956 517 S CB 0.644 63.779 63.200 -0.109 0.000 1.337 517 S HN 2.254 nan 8.310 nan 0.000 0.639 518 G N 1.215 109.906 108.800 -0.181 0.000 2.132 518 G HA2 -0.126 3.835 3.960 0.001 0.000 0.234 518 G HA3 -0.126 3.835 3.960 0.001 0.000 0.234 518 G C -0.193 174.697 174.900 -0.018 0.000 0.989 518 G CA 0.417 45.478 45.100 -0.064 0.000 0.676 518 G HN 0.776 nan 8.290 nan 0.000 0.522 519 N N -1.304 117.233 118.700 -0.272 0.000 3.179 519 N HA 0.203 4.944 4.740 0.001 0.000 0.250 519 N C -0.477 174.794 175.510 -0.398 0.000 1.507 519 N CA -0.350 52.590 53.050 -0.183 0.000 0.883 519 N CB 0.722 39.274 38.487 0.107 0.000 1.435 519 N HN -0.152 nan 8.380 nan 0.000 0.532 520 D N 0.359 120.731 120.400 -0.046 0.000 2.371 520 D HA -0.019 4.621 4.640 0.001 0.000 0.221 520 D C 1.571 177.876 176.300 0.010 0.000 0.986 520 D CA 0.642 54.628 54.000 -0.024 0.000 0.899 520 D CB -0.099 40.822 40.800 0.202 0.000 0.902 520 D HN 0.456 nan 8.370 nan 0.000 0.530 521 F N 0.587 120.680 119.950 0.239 0.000 2.502 521 F HA 0.129 4.657 4.527 0.001 0.000 0.298 521 F C 1.913 177.812 175.800 0.166 0.000 1.111 521 F CA 0.141 58.255 58.000 0.190 0.000 1.445 521 F CB -0.636 38.559 39.000 0.325 0.000 1.081 521 F HN -0.159 nan 8.300 nan 0.000 0.558 522 E N 1.158 121.108 120.200 -0.418 0.000 2.065 522 E HA -0.257 4.093 4.350 0.001 0.000 0.201 522 E C 2.342 178.944 176.600 0.005 0.000 1.016 522 E CA 2.043 58.346 56.400 -0.163 0.000 0.818 522 E CB -0.429 29.110 29.700 -0.269 0.000 0.749 522 E HN 0.362 nan 8.360 nan 0.000 0.453 523 V N 0.060 119.844 119.914 -0.217 0.000 2.343 523 V HA -0.226 3.894 4.120 0.001 0.000 0.247 523 V C 1.926 177.839 176.094 -0.302 0.000 1.051 523 V CA 1.852 63.949 62.300 -0.339 0.000 1.036 523 V CB -0.517 30.945 31.823 -0.601 0.000 0.654 523 V HN 0.304 nan 8.190 nan 0.000 0.451 524 F N -0.733 119.197 119.950 -0.033 0.000 2.134 524 F HA -0.090 4.437 4.527 0.001 0.000 0.299 524 F C 2.044 177.985 175.800 0.236 0.000 1.097 524 F CA 2.284 60.322 58.000 0.062 0.000 1.264 524 F CB -0.869 38.083 39.000 -0.080 0.000 1.001 524 F HN 0.272 nan 8.300 nan 0.000 0.479 525 F N 0.765 120.903 119.950 0.313 0.000 2.123 525 F HA -0.052 4.476 4.527 0.001 0.000 0.289 525 F C 2.432 178.409 175.800 0.295 0.000 1.099 525 F CA 1.290 59.480 58.000 0.317 0.000 1.234 525 F CB -0.679 38.530 39.000 0.350 0.000 1.034 525 F HN -0.187 nan 8.300 nan 0.000 0.479 526 Q N 0.009 119.968 119.800 0.266 0.000 2.187 526 Q HA -0.091 4.250 4.340 0.001 0.000 0.199 526 Q C 2.312 178.398 176.000 0.144 0.000 0.957 526 Q CA 1.082 56.984 55.803 0.166 0.000 0.857 526 Q CB -0.357 28.527 28.738 0.243 0.000 0.929 526 Q HN 0.440 nan 8.270 nan 0.000 0.453 527 R N 0.256 120.823 120.500 0.112 0.000 2.074 527 R HA 0.132 4.472 4.340 0.001 0.000 0.218 527 R C 2.042 178.350 176.300 0.012 0.000 1.137 527 R CA 0.339 56.476 56.100 0.062 0.000 0.998 527 R CB 0.247 30.552 30.300 0.007 0.000 0.895 527 R HN 0.157 nan 8.270 nan 0.000 0.442 528 L N -0.606 120.625 121.223 0.012 0.000 2.554 528 L HA 0.297 4.638 4.340 0.001 0.000 0.225 528 L C 0.837 177.737 176.870 0.049 0.000 1.104 528 L CA 0.475 55.332 54.840 0.028 0.000 0.866 528 L CB 0.568 42.658 42.059 0.050 0.000 1.047 528 L HN 0.556 nan 8.230 nan 0.000 0.468 529 G N 1.717 110.531 108.800 0.023 0.000 2.225 529 G HA2 -0.268 3.693 3.960 0.001 0.000 0.264 529 G HA3 -0.268 3.693 3.960 0.001 0.000 0.264 529 G C 0.012 175.002 174.900 0.150 0.000 1.060 529 G CA -0.145 44.938 45.100 -0.027 0.000 0.833 529 G HN 0.283 nan 8.290 nan 0.000 0.498 530 I N 1.033 121.776 120.570 0.288 0.000 2.331 530 I HA 0.528 4.699 4.170 0.001 0.000 0.292 530 I C 1.156 177.556 176.117 0.471 0.000 0.998 530 I CA -0.559 60.952 61.300 0.350 0.000 1.267 530 I CB 1.586 39.827 38.000 0.403 0.000 1.386 530 I HN 0.349 nan 8.210 nan 0.000 0.476 531 A N 5.258 128.285 122.820 0.346 0.000 2.567 531 A HA 0.339 4.660 4.320 0.001 0.000 0.240 531 A C 0.092 177.834 177.584 0.263 0.000 1.053 531 A CA 0.442 52.645 52.037 0.277 0.000 0.755 531 A CB -0.056 18.894 19.000 -0.083 0.000 0.978 531 A HN 0.704 nan 8.150 nan 0.000 0.507 532 S N 0.347 116.114 115.700 0.111 0.000 2.569 532 S HA 0.882 5.353 4.470 0.001 0.000 0.280 532 S C 0.112 174.603 174.600 -0.182 0.000 1.111 532 S CA -0.041 58.184 58.200 0.042 0.000 0.887 532 S CB 2.234 65.494 63.200 0.101 0.000 1.095 532 S HN 1.520 nan 8.310 nan 0.000 0.476 533 G N 0.831 109.570 108.800 -0.101 0.000 2.684 533 G HA2 0.791 4.752 3.960 0.001 0.000 0.290 533 G HA3 0.791 4.752 3.960 0.001 0.000 0.290 533 G C -1.770 173.047 174.900 -0.138 0.000 1.425 533 G CA -0.944 44.052 45.100 -0.173 0.000 0.822 533 G HN 0.794 nan 8.290 nan 0.000 0.482 534 R N -1.184 119.221 120.500 -0.159 0.000 2.680 534 R HA 0.829 5.170 4.340 0.001 0.000 0.269 534 R C -1.467 174.774 176.300 -0.099 0.000 1.026 534 R CA -0.881 55.161 56.100 -0.096 0.000 0.889 534 R CB 1.816 32.068 30.300 -0.081 0.000 1.241 534 R HN 1.397 nan 8.270 nan 0.000 0.463 535 A N 2.588 125.364 122.820 -0.074 0.000 2.488 535 A HA 0.793 5.113 4.320 0.001 0.000 0.298 535 A C -1.201 176.337 177.584 -0.077 0.000 1.044 535 A CA -0.925 51.044 52.037 -0.113 0.000 0.693 535 A CB 1.698 20.620 19.000 -0.131 0.000 1.272 535 A HN 0.935 nan 8.150 nan 0.000 0.402 536 R N 0.990 121.424 120.500 -0.110 0.000 2.716 536 R HA 0.394 4.734 4.340 0.001 0.000 0.271 536 R C -2.018 174.231 176.300 -0.085 0.000 1.028 536 R CA -0.690 55.380 56.100 -0.050 0.000 0.883 536 R CB 0.483 30.762 30.300 -0.036 0.000 1.250 536 R HN 0.524 nan 8.270 nan 0.000 0.465 537 Y N 0.344 120.562 120.300 -0.135 0.000 2.319 537 Y HA 0.375 4.925 4.550 0.001 0.000 0.328 537 Y C 0.757 176.574 175.900 -0.139 0.000 1.133 537 Y CA 1.018 59.023 58.100 -0.158 0.000 1.265 537 Y CB 1.613 39.973 38.460 -0.166 0.000 1.218 537 Y HN 0.728 nan 8.280 nan 0.000 0.508 538 T N 3.814 118.255 114.554 -0.189 0.000 2.888 538 T HA 0.418 4.768 4.350 0.001 0.000 0.288 538 T C -0.654 174.026 174.700 -0.033 0.000 1.063 538 T CA -1.057 60.987 62.100 -0.093 0.000 1.010 538 T CB 0.828 69.633 68.868 -0.105 0.000 1.214 538 T HN 0.652 nan 8.240 nan 0.000 0.533 539 K N 1.961 122.355 120.400 -0.011 0.000 2.155 539 K HA 0.335 4.655 4.320 0.001 0.000 0.237 539 K C 0.412 177.016 176.600 0.006 0.000 1.040 539 K CA -0.728 55.550 56.287 -0.014 0.000 0.912 539 K CB 0.234 32.709 32.500 -0.041 0.000 1.137 539 K HN 0.506 nan 8.250 nan 0.000 0.498 549 Y N 0.514 120.806 120.300 -0.013 0.000 2.453 549 Y HA 0.755 5.306 4.550 0.001 0.000 0.326 549 Y C -1.747 174.350 175.900 0.329 0.000 1.186 549 Y CA -2.483 55.708 58.100 0.152 0.000 1.200 549 Y CB 0.861 39.404 38.460 0.139 0.000 1.247 549 Y HN 0.194 nan 8.280 nan 0.000 0.482 550 P HA -0.161 nan 4.420 nan 0.000 0.216 550 P C 0.846 178.379 177.300 0.388 0.000 1.153 550 P CA 1.674 65.072 63.100 0.496 0.000 0.858 550 P CB 0.215 32.180 31.700 0.441 0.000 0.789 551 L N -2.912 118.587 121.223 0.459 0.000 2.629 551 L HA 0.106 4.447 4.340 0.001 0.000 0.230 551 L C 0.646 177.676 176.870 0.267 0.000 1.151 551 L CA -0.718 54.342 54.840 0.367 0.000 0.924 551 L CB -0.871 41.425 42.059 0.395 0.000 1.137 551 L HN -0.014 nan 8.230 nan 0.000 0.457 552 Y N 1.556 121.734 120.300 -0.203 0.000 2.729 552 Y HA -0.119 4.432 4.550 0.001 0.000 0.331 552 Y C 1.098 176.914 175.900 -0.139 0.000 1.208 552 Y CA 0.228 58.038 58.100 -0.484 0.000 1.521 552 Y CB -0.545 37.297 38.460 -1.029 0.000 1.233 552 Y HN 0.226 nan 8.280 nan 0.000 0.539 553 H N 2.240 121.054 119.070 -0.428 0.000 2.936 553 H HA -0.194 4.362 4.556 0.001 0.000 0.276 553 H C 0.041 175.203 175.328 -0.276 0.000 1.216 553 H CA 0.317 56.108 56.048 -0.428 0.000 1.132 553 H CB -1.221 28.039 29.762 -0.838 0.000 1.303 553 H HN 0.623 nan 8.280 nan 0.000 0.370 554 S N -1.050 114.636 115.700 -0.023 0.000 2.689 554 S HA 0.436 4.906 4.470 0.001 0.000 0.306 554 S C 1.032 175.583 174.600 -0.082 0.000 1.104 554 S CA -0.318 57.841 58.200 -0.069 0.000 0.973 554 S CB 2.269 65.467 63.200 -0.004 0.000 1.121 554 S HN 0.067 nan 8.310 nan 0.000 0.523 555 V N 1.061 120.830 119.914 -0.242 0.000 2.720 555 V HA -0.098 4.023 4.120 0.001 0.000 0.256 555 V C 1.201 177.148 176.094 -0.245 0.000 1.082 555 V CA 1.599 63.752 62.300 -0.244 0.000 1.101 555 V CB -1.194 30.431 31.823 -0.331 0.000 0.693 555 V HN 0.860 nan 8.190 nan 0.000 0.479 556 Y N 0.234 120.535 120.300 0.000 0.000 2.578 556 Y HA 0.212 4.763 4.550 0.001 0.000 0.297 556 Y C 1.457 177.172 175.900 -0.309 0.000 1.176 556 Y CA -0.204 57.753 58.100 -0.239 0.000 1.315 556 Y CB -0.362 37.941 38.460 -0.263 0.000 1.031 556 Y HN 0.322 nan 8.280 nan 0.000 0.524 557 E N 1.879 122.107 120.200 0.046 0.000 1.865 557 E HA 0.117 4.468 4.350 0.001 0.000 0.269 557 E C -0.097 176.577 176.600 0.124 0.000 1.177 557 E CA -0.091 56.380 56.400 0.119 0.000 0.932 557 E CB 0.167 30.003 29.700 0.227 0.000 1.066 557 E HN 0.289 nan 8.360 nan 0.000 0.405 558 T N -0.588 114.008 114.554 0.069 0.000 2.907 558 T HA 0.105 4.456 4.350 0.001 0.000 0.290 558 T C 0.755 175.598 174.700 0.237 0.000 1.066 558 T CA -0.787 61.375 62.100 0.104 0.000 1.012 558 T CB 0.715 69.581 68.868 -0.003 0.000 1.184 558 T HN 0.366 nan 8.240 nan 0.000 0.522 559 Y N 1.201 121.611 120.300 0.184 0.000 2.151 559 Y HA -0.162 4.388 4.550 0.001 0.000 0.284 559 Y C 2.204 178.267 175.900 0.271 0.000 1.166 559 Y CA 2.228 60.475 58.100 0.246 0.000 1.163 559 Y CB -0.418 38.196 38.460 0.257 0.000 0.974 559 Y HN 0.811 nan 8.280 nan 0.000 0.511 560 E N 0.027 120.431 120.200 0.340 0.000 2.110 560 E HA -0.192 4.159 4.350 0.001 0.000 0.193 560 E C 2.012 178.766 176.600 0.257 0.000 0.988 560 E CA 1.215 57.778 56.400 0.271 0.000 0.804 560 E CB -0.585 29.382 29.700 0.444 0.000 0.745 560 E HN 0.493 nan 8.360 nan 0.000 0.458 561 L N 0.068 121.530 121.223 0.398 0.000 2.081 561 L HA -0.181 4.160 4.340 0.001 0.000 0.212 561 L C 1.896 178.998 176.870 0.387 0.000 1.080 561 L CA 1.531 56.692 54.840 0.535 0.000 0.754 561 L CB -0.283 41.972 42.059 0.326 0.000 0.893 561 L HN 0.027 nan 8.230 nan 0.000 0.433 562 V N -0.579 119.396 119.914 0.101 0.000 2.302 562 V HA -0.188 3.932 4.120 0.001 0.000 0.243 562 V C 2.520 178.483 176.094 -0.219 0.000 1.036 562 V CA 1.740 64.015 62.300 -0.042 0.000 1.020 562 V CB -0.655 31.100 31.823 -0.113 0.000 0.657 562 V HN 0.542 nan 8.190 nan 0.000 0.453 563 E N 0.351 120.329 120.200 -0.370 0.000 2.110 563 E HA -0.251 4.099 4.350 0.001 0.000 0.193 563 E C 2.208 178.654 176.600 -0.257 0.000 0.988 563 E CA 1.419 57.607 56.400 -0.353 0.000 0.804 563 E CB 0.056 29.538 29.700 -0.363 0.000 0.745 563 E HN 0.555 nan 8.360 nan 0.000 0.458 564 K N -0.979 119.246 120.400 -0.290 0.000 2.067 564 K HA -0.036 4.284 4.320 0.001 0.000 0.203 564 K C 1.646 177.923 176.600 -0.539 0.000 1.048 564 K CA 1.137 57.109 56.287 -0.525 0.000 0.954 564 K CB 0.093 32.033 32.500 -0.934 0.000 0.737 564 K HN 0.112 nan 8.250 nan 0.000 0.444 565 F N -2.202 117.788 119.950 0.068 0.000 2.680 565 F HA 0.174 4.702 4.527 0.001 0.000 0.290 565 F C 1.474 177.143 175.800 -0.219 0.000 1.114 565 F CA -0.050 57.958 58.000 0.013 0.000 1.333 565 F CB 0.036 39.133 39.000 0.162 0.000 1.091 565 F HN -0.074 nan 8.300 nan 0.000 0.606 566 Y N -0.756 119.522 120.300 -0.036 0.000 2.382 566 Y HA 0.161 4.711 4.550 0.001 0.000 0.292 566 Y C 0.436 176.257 175.900 -0.133 0.000 1.151 566 Y CA 0.629 58.637 58.100 -0.154 0.000 1.198 566 Y CB 0.572 38.924 38.460 -0.181 0.000 1.195 566 Y HN -0.242 nan 8.280 nan 0.000 0.530 567 D N -1.091 119.238 120.400 -0.118 0.000 2.978 567 D HA 0.183 4.824 4.640 0.001 0.000 0.268 567 D C -2.395 173.551 176.300 -0.591 0.000 1.252 567 D CA -1.679 52.148 54.000 -0.289 0.000 0.771 567 D CB 0.671 41.231 40.800 -0.401 0.000 1.361 567 D HN -0.071 nan 8.370 nan 0.000 0.558 568 P HA -0.123 nan 4.420 nan 0.000 0.215 568 P C 1.512 178.737 177.300 -0.124 0.000 1.153 568 P CA 0.839 63.803 63.100 -0.227 0.000 0.853 568 P CB 0.196 31.820 31.700 -0.127 0.000 0.788 569 M N -2.778 116.734 119.600 -0.147 0.000 2.562 569 M HA 0.134 4.614 4.480 0.001 0.000 0.257 569 M C 0.508 176.829 176.300 0.036 0.000 1.099 569 M CA -0.208 55.055 55.300 -0.061 0.000 1.099 569 M CB -1.685 30.834 32.600 -0.136 0.000 1.427 569 M HN -0.130 nan 8.290 nan 0.000 0.489 570 F N 0.440 120.256 119.950 -0.222 0.000 3.084 570 F HA -0.373 4.155 4.527 0.001 0.000 0.286 570 F C 1.455 177.141 175.800 -0.190 0.000 0.855 570 F CA 1.126 58.977 58.000 -0.247 0.000 1.091 570 F CB -1.775 37.095 39.000 -0.217 0.000 1.177 570 F HN 0.326 nan 8.300 nan 0.000 0.542 571 K N -1.399 118.861 120.400 -0.232 0.000 2.243 571 K HA -0.065 4.255 4.320 0.001 0.000 0.201 571 K C 1.405 177.772 176.600 -0.388 0.000 1.051 571 K CA 1.379 57.479 56.287 -0.312 0.000 0.970 571 K CB -0.303 31.937 32.500 -0.434 0.000 0.755 571 K HN 0.360 nan 8.250 nan 0.000 0.465 572 Y N 1.533 121.706 120.300 -0.211 0.000 2.220 572 Y HA -0.081 4.470 4.550 0.001 0.000 0.291 572 Y C 2.281 178.106 175.900 -0.125 0.000 1.129 572 Y CA 1.202 59.074 58.100 -0.379 0.000 1.161 572 Y CB -0.872 37.315 38.460 -0.455 0.000 0.997 572 Y HN 0.153 nan 8.280 nan 0.000 0.522 573 H N -0.630 118.441 119.070 0.003 0.000 2.289 573 H HA -0.197 4.360 4.556 0.001 0.000 0.296 573 H C 2.163 177.515 175.328 0.040 0.000 1.091 573 H CA 1.939 58.032 56.048 0.076 0.000 1.274 573 H CB -0.755 29.140 29.762 0.221 0.000 1.364 573 H HN 0.269 nan 8.280 nan 0.000 0.490 574 L N -0.197 121.100 121.223 0.124 0.000 2.056 574 L HA -0.119 4.221 4.340 0.001 0.000 0.207 574 L C 2.151 179.013 176.870 -0.013 0.000 1.078 574 L CA 1.864 56.723 54.840 0.031 0.000 0.749 574 L CB -0.843 41.203 42.059 -0.023 0.000 0.901 574 L HN 0.187 nan 8.230 nan 0.000 0.433 575 T N -1.021 113.510 114.554 -0.038 0.000 2.759 575 T HA -0.160 4.191 4.350 0.001 0.000 0.269 575 T C 1.929 176.642 174.700 0.022 0.000 1.042 575 T CA 1.669 63.754 62.100 -0.024 0.000 1.140 575 T CB -0.304 68.532 68.868 -0.052 0.000 0.864 575 T HN 0.217 nan 8.240 nan 0.000 0.455 576 V N 1.460 121.398 119.914 0.040 0.000 2.427 576 V HA -0.095 4.026 4.120 0.001 0.000 0.248 576 V C 2.814 178.934 176.094 0.042 0.000 1.051 576 V CA 1.501 63.830 62.300 0.049 0.000 1.048 576 V CB -1.053 30.797 31.823 0.045 0.000 0.666 576 V HN 0.508 nan 8.190 nan 0.000 0.456 577 A N -0.750 122.095 122.820 0.043 0.000 1.969 577 A HA -0.248 4.072 4.320 0.001 0.000 0.218 577 A C 2.172 179.786 177.584 0.050 0.000 1.169 577 A CA 1.666 53.736 52.037 0.055 0.000 0.635 577 A CB -0.355 18.669 19.000 0.040 0.000 0.810 577 A HN 0.635 nan 8.150 nan 0.000 0.445 578 Q N -0.617 119.190 119.800 0.012 0.000 2.123 578 Q HA -0.063 4.278 4.340 0.001 0.000 0.199 578 Q C 2.116 178.158 176.000 0.070 0.000 0.966 578 Q CA 1.429 57.239 55.803 0.012 0.000 0.845 578 Q CB -0.253 28.466 28.738 -0.031 0.000 0.907 578 Q HN 0.498 nan 8.270 nan 0.000 0.439 579 V N 0.934 120.878 119.914 0.050 0.000 2.307 579 V HA -0.243 3.878 4.120 0.001 0.000 0.245 579 V C 2.179 178.319 176.094 0.075 0.000 1.045 579 V CA 1.775 64.101 62.300 0.043 0.000 1.024 579 V CB -0.448 31.366 31.823 -0.015 0.000 0.651 579 V HN 0.258 nan 8.190 nan 0.000 0.449 580 R N 0.169 120.719 120.500 0.082 0.000 2.066 580 R HA -0.071 4.270 4.340 0.001 0.000 0.232 580 R C 2.492 178.900 176.300 0.180 0.000 1.131 580 R CA 1.533 57.693 56.100 0.100 0.000 0.955 580 R CB -0.893 29.460 30.300 0.089 0.000 0.851 580 R HN 0.573 nan 8.270 nan 0.000 0.432 581 G N -0.223 108.737 108.800 0.267 0.000 2.408 581 G HA2 -0.193 3.767 3.960 0.001 0.000 0.217 581 G HA3 -0.193 3.767 3.960 0.001 0.000 0.217 581 G C 1.455 176.599 174.900 0.408 0.000 1.150 581 G CA 0.771 46.150 45.100 0.465 0.000 0.776 581 G HN 0.463 nan 8.290 nan 0.000 0.542 582 G N 0.484 109.482 108.800 0.331 0.000 2.421 582 G HA2 -0.101 3.860 3.960 0.001 0.000 0.217 582 G HA3 -0.101 3.860 3.960 0.001 0.000 0.217 582 G C 1.850 176.883 174.900 0.222 0.000 1.143 582 G CA 0.762 46.014 45.100 0.254 0.000 0.784 582 G HN 0.406 nan 8.290 nan 0.000 0.541 583 M N -0.008 119.697 119.600 0.175 0.000 2.086 583 M HA -0.045 4.435 4.480 0.001 0.000 0.261 583 M C 2.671 179.053 176.300 0.137 0.000 1.067 583 M CA 0.974 56.359 55.300 0.142 0.000 1.116 583 M CB -0.276 32.388 32.600 0.106 0.000 1.348 583 M HN 0.097 nan 8.290 nan 0.000 0.407 584 V N -0.110 119.888 119.914 0.140 0.000 2.343 584 V HA -0.277 3.844 4.120 0.001 0.000 0.247 584 V C 2.091 178.239 176.094 0.089 0.000 1.051 584 V CA 1.892 64.239 62.300 0.078 0.000 1.036 584 V CB -0.698 31.178 31.823 0.089 0.000 0.654 584 V HN 0.390 nan 8.190 nan 0.000 0.451 585 F N 1.014 121.011 119.950 0.080 0.000 2.069 585 F HA -0.206 4.322 4.527 0.001 0.000 0.298 585 F C 2.579 178.419 175.800 0.067 0.000 1.113 585 F CA 2.115 60.164 58.000 0.082 0.000 1.214 585 F CB -0.136 38.815 39.000 -0.083 0.000 0.978 585 F HN 0.103 nan 8.300 nan 0.000 0.474 586 E N 0.587 120.976 120.200 0.315 0.000 2.077 586 E HA -0.196 4.155 4.350 0.001 0.000 0.193 586 E C 2.376 178.989 176.600 0.021 0.000 0.989 586 E CA 1.442 57.959 56.400 0.196 0.000 0.800 586 E CB -0.660 29.150 29.700 0.184 0.000 0.746 586 E HN 0.481 nan 8.360 nan 0.000 0.452 587 L N 0.186 121.407 121.223 -0.004 0.000 2.093 587 L HA -0.126 4.215 4.340 0.001 0.000 0.208 587 L C 2.343 179.136 176.870 -0.128 0.000 1.085 587 L CA 1.234 56.025 54.840 -0.082 0.000 0.755 587 L CB -0.338 41.699 42.059 -0.037 0.000 0.904 587 L HN 0.032 nan 8.230 nan 0.000 0.435 588 A N -1.181 121.548 122.820 -0.152 0.000 2.169 588 A HA -0.079 4.241 4.320 0.001 0.000 0.212 588 A C 1.801 179.248 177.584 -0.227 0.000 1.153 588 A CA 1.448 53.361 52.037 -0.207 0.000 0.756 588 A CB -0.289 18.547 19.000 -0.272 0.000 0.813 588 A HN 0.455 nan 8.150 nan 0.000 0.471 589 N N -1.982 116.587 118.700 -0.218 0.000 2.218 589 N HA 0.079 4.820 4.740 0.001 0.000 0.224 589 N C 0.331 175.793 175.510 -0.080 0.000 1.248 589 N CA 0.459 53.389 53.050 -0.200 0.000 0.875 589 N CB 0.602 38.857 38.487 -0.387 0.000 1.165 589 N HN 0.141 nan 8.380 nan 0.000 0.485 590 S N 0.293 115.963 115.700 -0.049 0.000 2.560 590 S HA 0.164 4.634 4.470 0.001 0.000 0.284 590 S C 1.625 176.206 174.600 -0.032 0.000 1.327 590 S CA -0.279 57.915 58.200 -0.010 0.000 1.055 590 S CB 0.119 63.317 63.200 -0.003 0.000 0.868 590 S HN 0.212 nan 8.310 nan 0.000 0.506 591 I N 4.041 124.606 120.570 -0.008 0.000 2.163 591 I HA -0.058 4.113 4.170 0.001 0.000 0.240 591 I C 0.448 176.571 176.117 0.010 0.000 1.081 591 I CA 0.792 62.090 61.300 -0.002 0.000 1.353 591 I CB -0.012 37.992 38.000 0.006 0.000 1.054 591 I HN 0.369 nan 8.210 nan 0.000 0.407 592 V N 2.676 122.604 119.914 0.023 0.000 2.465 592 V HA 0.179 4.300 4.120 0.001 0.000 0.279 592 V C 0.242 176.313 176.094 -0.039 0.000 1.045 592 V CA -0.629 61.694 62.300 0.039 0.000 0.938 592 V CB 1.453 33.329 31.823 0.089 0.000 0.986 592 V HN 0.112 nan 8.190 nan 0.000 0.467 593 L N 7.582 128.743 121.223 -0.103 0.000 2.499 593 L HA 0.176 4.517 4.340 0.001 0.000 0.273 593 L C -1.504 175.199 176.870 -0.278 0.000 1.195 593 L CA -1.002 53.650 54.840 -0.313 0.000 0.882 593 L CB 0.749 42.511 42.059 -0.496 0.000 1.133 593 L HN 0.523 nan 8.230 nan 0.000 0.483 594 P HA 0.124 nan 4.420 nan 0.000 0.218 594 P C -0.966 176.383 177.300 0.082 0.000 1.793 594 P CA -0.013 63.041 63.100 -0.075 0.000 0.941 594 P CB -0.274 31.414 31.700 -0.020 0.000 1.919 595 F N 0.379 120.393 119.950 0.107 0.000 2.495 595 F HA 0.405 4.933 4.527 0.001 0.000 0.327 595 F C 0.650 176.530 175.800 0.133 0.000 1.103 595 F CA -1.668 56.401 58.000 0.115 0.000 0.949 595 F CB 1.434 40.512 39.000 0.131 0.000 1.142 595 F HN -0.077 nan 8.300 nan 0.000 0.457 596 D N 2.005 122.593 120.400 0.314 0.000 2.453 596 D HA 0.183 4.824 4.640 0.001 0.000 0.238 596 D C 0.975 177.414 176.300 0.232 0.000 1.088 596 D CA -0.242 53.901 54.000 0.238 0.000 0.854 596 D CB 1.270 42.169 40.800 0.165 0.000 1.076 596 D HN 0.695 nan 8.370 nan 0.000 0.533 597 C N 3.272 122.742 119.300 0.282 0.000 2.419 597 C HA 0.058 4.519 4.460 0.001 0.000 0.283 597 C C 2.173 177.374 174.990 0.352 0.000 1.373 597 C CA 0.019 59.231 59.018 0.323 0.000 1.781 597 C CB -0.731 27.142 27.740 0.221 0.000 1.886 597 C HN 0.563 nan 8.230 nan 0.000 0.520 598 R N 1.212 121.868 120.500 0.260 0.000 2.120 598 R HA -0.076 4.265 4.340 0.001 0.000 0.234 598 R C 1.787 178.203 176.300 0.193 0.000 1.123 598 R CA 1.743 57.984 56.100 0.234 0.000 0.975 598 R CB -0.370 30.033 30.300 0.172 0.000 0.866 598 R HN 0.577 nan 8.270 nan 0.000 0.446 599 D N -0.185 120.294 120.400 0.132 0.000 2.149 599 D HA -0.195 4.446 4.640 0.001 0.000 0.198 599 D C 1.533 177.802 176.300 -0.051 0.000 0.990 599 D CA 1.274 55.285 54.000 0.018 0.000 0.839 599 D CB -0.146 40.598 40.800 -0.093 0.000 0.948 599 D HN 0.197 nan 8.370 nan 0.000 0.460 600 Y N 1.380 121.662 120.300 -0.029 0.000 2.242 600 Y HA -0.114 4.436 4.550 0.001 0.000 0.291 600 Y C 2.410 178.202 175.900 -0.181 0.000 1.137 600 Y CA 0.837 58.873 58.100 -0.106 0.000 1.181 600 Y CB -0.561 37.922 38.460 0.037 0.000 0.989 600 Y HN -0.074 nan 8.280 nan 0.000 0.527 601 A N -0.861 122.102 122.820 0.239 0.000 1.908 601 A HA -0.176 4.144 4.320 0.001 0.000 0.218 601 A C 2.435 180.056 177.584 0.061 0.000 1.181 601 A CA 2.055 54.198 52.037 0.177 0.000 0.627 601 A CB -1.262 17.987 19.000 0.416 0.000 0.818 601 A HN 0.236 nan 8.150 nan 0.000 0.445 602 V N 0.307 120.255 119.914 0.057 0.000 2.255 602 V HA -0.272 3.848 4.120 0.001 0.000 0.247 602 V C 2.751 178.786 176.094 -0.098 0.000 1.051 602 V CA 2.205 64.513 62.300 0.013 0.000 1.018 602 V CB -1.053 30.797 31.823 0.044 0.000 0.641 602 V HN 0.628 nan 8.190 nan 0.000 0.445 603 V N -2.043 117.745 119.914 -0.210 0.000 2.667 603 V HA -0.116 4.005 4.120 0.001 0.000 0.252 603 V C 2.184 177.822 176.094 -0.761 0.000 1.065 603 V CA 1.475 63.448 62.300 -0.545 0.000 1.083 603 V CB -0.814 30.617 31.823 -0.653 0.000 0.692 603 V HN 0.445 nan 8.190 nan 0.000 0.468 604 L N -0.560 120.420 121.223 -0.405 0.000 2.079 604 L HA -0.103 4.237 4.340 0.001 0.000 0.210 604 L C 3.080 179.924 176.870 -0.042 0.000 1.081 604 L CA 1.666 56.361 54.840 -0.242 0.000 0.752 604 L CB -0.656 41.276 42.059 -0.212 0.000 0.896 604 L HN 0.272 nan 8.230 nan 0.000 0.433 605 R N 0.466 120.956 120.500 -0.016 0.000 2.073 605 R HA -0.133 4.208 4.340 0.001 0.000 0.234 605 R C 2.482 178.856 176.300 0.122 0.000 1.134 605 R CA 1.388 57.552 56.100 0.107 0.000 0.952 605 R CB -0.336 30.030 30.300 0.110 0.000 0.850 605 R HN 0.155 nan 8.270 nan 0.000 0.433 606 K N -0.267 120.141 120.400 0.013 0.000 2.032 606 K HA -0.150 4.170 4.320 0.001 0.000 0.209 606 K C 2.260 178.981 176.600 0.201 0.000 1.048 606 K CA 1.683 58.005 56.287 0.058 0.000 0.927 606 K CB -0.782 31.693 32.500 -0.042 0.000 0.712 606 K HN 0.363 nan 8.250 nan 0.000 0.441 607 Y N 0.269 120.630 120.300 0.102 0.000 2.293 607 Y HA 0.066 4.617 4.550 0.001 0.000 0.291 607 Y C 2.602 178.696 175.900 0.324 0.000 1.137 607 Y CA 0.163 58.343 58.100 0.132 0.000 1.202 607 Y CB -1.292 37.092 38.460 -0.127 0.000 0.990 607 Y HN 0.213 nan 8.280 nan 0.000 0.537 608 A N -0.043 123.048 122.820 0.451 0.000 1.929 608 A HA -0.115 4.206 4.320 0.001 0.000 0.216 608 A C 1.953 179.649 177.584 0.188 0.000 1.176 608 A CA 1.513 53.651 52.037 0.168 0.000 0.628 608 A CB -0.529 18.376 19.000 -0.159 0.000 0.816 608 A HN 0.282 nan 8.150 nan 0.000 0.444 609 D N -0.135 120.468 120.400 0.338 0.000 2.117 609 D HA -0.164 4.476 4.640 0.001 0.000 0.197 609 D C 1.868 178.342 176.300 0.291 0.000 0.987 609 D CA 1.543 55.766 54.000 0.372 0.000 0.829 609 D CB -0.200 40.764 40.800 0.273 0.000 0.961 609 D HN 0.576 nan 8.370 nan 0.000 0.460 610 K N 0.148 120.705 120.400 0.261 0.000 2.025 610 K HA -0.134 4.187 4.320 0.001 0.000 0.207 610 K C 2.109 178.833 176.600 0.207 0.000 1.049 610 K CA 0.623 57.045 56.287 0.226 0.000 0.933 610 K CB -0.130 32.517 32.500 0.245 0.000 0.714 610 K HN -0.037 nan 8.250 nan 0.000 0.438 611 I N 0.837 121.548 120.570 0.234 0.000 2.394 611 I HA -0.215 3.956 4.170 0.001 0.000 0.251 611 I C 1.894 178.015 176.117 0.006 0.000 1.136 611 I CA 1.058 62.483 61.300 0.209 0.000 1.425 611 I CB -0.495 37.688 38.000 0.305 0.000 1.079 611 I HN 0.239 nan 8.210 nan 0.000 0.425 612 Y N 1.039 121.138 120.300 -0.335 0.000 2.128 612 Y HA -0.269 4.281 4.550 0.001 0.000 0.284 612 Y C 2.706 178.471 175.900 -0.224 0.000 1.154 612 Y CA 1.907 59.633 58.100 -0.624 0.000 1.149 612 Y CB -0.816 37.469 38.460 -0.291 0.000 0.976 612 Y HN 0.194 nan 8.280 nan 0.000 0.505 613 S N 0.360 115.981 115.700 -0.131 0.000 2.383 613 S HA -0.205 4.266 4.470 0.001 0.000 0.229 613 S C 2.118 176.665 174.600 -0.087 0.000 1.030 613 S CA 1.708 59.823 58.200 -0.141 0.000 1.002 613 S CB -0.547 62.654 63.200 0.001 0.000 0.829 613 S HN 0.494 nan 8.310 nan 0.000 0.467 614 I N 0.871 121.444 120.570 0.005 0.000 2.315 614 I HA -0.141 4.029 4.170 0.001 0.000 0.248 614 I C 2.627 178.810 176.117 0.111 0.000 1.117 614 I CA 0.958 62.298 61.300 0.066 0.000 1.404 614 I CB -0.295 37.778 38.000 0.122 0.000 1.071 614 I HN 0.272 nan 8.210 nan 0.000 0.419 615 S N 0.424 116.192 115.700 0.113 0.000 2.383 615 S HA -0.104 4.366 4.470 0.001 0.000 0.227 615 S C 1.991 176.724 174.600 0.221 0.000 1.026 615 S CA 1.007 59.400 58.200 0.322 0.000 0.981 615 S CB -0.019 63.455 63.200 0.457 0.000 0.818 615 S HN 0.231 nan 8.310 nan 0.000 0.472 616 M N 1.181 120.730 119.600 -0.086 0.000 2.700 616 M HA 0.086 4.567 4.480 0.001 0.000 0.249 616 M C 1.390 177.618 176.300 -0.121 0.000 1.082 616 M CA 0.855 56.058 55.300 -0.160 0.000 1.077 616 M CB -0.910 31.471 32.600 -0.365 0.000 1.477 616 M HN 0.269 nan 8.290 nan 0.000 0.529 617 K N -0.403 119.910 120.400 -0.145 0.000 2.504 617 K HA -0.067 4.253 4.320 0.001 0.000 0.195 617 K C 0.134 176.427 176.600 -0.511 0.000 1.036 617 K CA 0.699 56.797 56.287 -0.315 0.000 0.984 617 K CB 0.095 32.376 32.500 -0.364 0.000 0.788 617 K HN 0.455 nan 8.250 nan 0.000 0.488 618 H N -0.435 118.673 119.070 0.064 0.000 2.386 618 H HA 0.133 4.689 4.556 0.001 0.000 0.232 618 H C -2.140 173.144 175.328 -0.074 0.000 1.416 618 H CA -1.772 54.302 56.048 0.042 0.000 1.285 618 H CB 0.730 30.613 29.762 0.201 0.000 1.625 618 H HN 0.041 nan 8.280 nan 0.000 0.521 619 P HA -0.203 nan 4.420 nan 0.000 0.216 619 P C 1.779 179.028 177.300 -0.084 0.000 1.150 619 P CA 1.144 64.217 63.100 -0.045 0.000 0.837 619 P CB 0.638 32.311 31.700 -0.044 0.000 0.786 620 Q N 0.805 120.552 119.800 -0.090 0.000 2.079 620 Q HA -0.171 4.170 4.340 0.001 0.000 0.200 620 Q C 1.993 177.849 176.000 -0.241 0.000 0.974 620 Q CA 1.809 57.533 55.803 -0.131 0.000 0.840 620 Q CB -0.771 27.911 28.738 -0.094 0.000 0.898 620 Q HN 0.164 nan 8.270 nan 0.000 0.430 621 E N -0.643 119.368 120.200 -0.314 0.000 2.107 621 E HA -0.067 4.284 4.350 0.001 0.000 0.191 621 E C 1.880 178.106 176.600 -0.623 0.000 0.982 621 E CA 1.296 57.339 56.400 -0.595 0.000 0.809 621 E CB -0.119 29.023 29.700 -0.930 0.000 0.756 621 E HN 0.408 nan 8.360 nan 0.000 0.459 622 M N 0.207 119.534 119.600 -0.455 0.000 2.229 622 M HA -0.133 4.348 4.480 0.001 0.000 0.264 622 M C 1.819 178.042 176.300 -0.129 0.000 1.063 622 M CA 1.338 56.502 55.300 -0.227 0.000 1.114 622 M CB -0.092 32.484 32.600 -0.040 0.000 1.387 622 M HN -0.022 nan 8.290 nan 0.000 0.420 623 K N -0.513 119.795 120.400 -0.154 0.000 2.031 623 K HA -0.061 4.260 4.320 0.001 0.000 0.205 623 K C 1.976 178.465 176.600 -0.184 0.000 1.049 623 K CA 1.632 57.845 56.287 -0.124 0.000 0.939 623 K CB -0.357 32.074 32.500 -0.113 0.000 0.717 623 K HN 0.232 nan 8.250 nan 0.000 0.438 624 T N 0.341 114.696 114.554 -0.330 0.000 2.788 624 T HA -0.122 4.228 4.350 0.001 0.000 0.268 624 T C 1.118 175.498 174.700 -0.533 0.000 1.044 624 T CA 1.330 63.130 62.100 -0.501 0.000 1.139 624 T CB -0.165 68.220 68.868 -0.805 0.000 0.867 624 T HN 0.189 nan 8.240 nan 0.000 0.454 625 Y N 0.902 121.118 120.300 -0.141 0.000 2.458 625 Y HA 0.372 4.923 4.550 0.001 0.000 0.256 625 Y C 1.132 177.011 175.900 -0.034 0.000 1.159 625 Y CA -0.988 57.069 58.100 -0.072 0.000 1.261 625 Y CB -0.270 38.160 38.460 -0.051 0.000 1.119 625 Y HN -0.006 nan 8.280 nan 0.000 0.524 626 S N -0.143 115.583 115.700 0.043 0.000 3.797 626 S HA -0.118 4.352 4.470 0.001 0.000 0.374 626 S C -0.296 174.352 174.600 0.080 0.000 0.970 626 S CA 0.261 58.490 58.200 0.048 0.000 1.177 626 S CB -2.065 61.159 63.200 0.041 0.000 0.891 626 S HN 0.118 nan 8.310 nan 0.000 0.491 627 V N 1.923 121.897 119.914 0.101 0.000 2.338 627 V HA 0.475 4.595 4.120 0.001 0.000 0.255 627 V C 0.664 176.850 176.094 0.154 0.000 1.082 627 V CA -0.040 62.340 62.300 0.134 0.000 0.951 627 V CB 1.235 33.195 31.823 0.228 0.000 1.102 627 V HN 0.619 nan 8.190 nan 0.000 0.489 628 S N 3.616 119.362 115.700 0.077 0.000 2.489 628 S HA 0.586 5.056 4.470 0.001 0.000 0.291 628 S C 0.185 174.783 174.600 -0.003 0.000 1.151 628 S CA -0.512 57.766 58.200 0.129 0.000 1.082 628 S CB 0.731 63.991 63.200 0.100 0.000 1.019 628 S HN 0.499 nan 8.310 nan 0.000 0.492 629 F N 1.919 121.975 119.950 0.177 0.000 2.693 629 F HA 0.213 4.741 4.527 0.001 0.000 0.303 629 F C 1.539 177.419 175.800 0.132 0.000 1.097 629 F CA -0.277 57.792 58.000 0.116 0.000 1.330 629 F CB 0.283 39.373 39.000 0.149 0.000 1.067 629 F HN 0.521 nan 8.300 nan 0.000 0.565 630 D N -0.026 120.523 120.400 0.249 0.000 2.149 630 D HA -0.187 4.454 4.640 0.001 0.000 0.198 630 D C 2.421 178.825 176.300 0.173 0.000 0.990 630 D CA 1.877 56.008 54.000 0.219 0.000 0.839 630 D CB -0.383 40.497 40.800 0.134 0.000 0.948 630 D HN 0.291 nan 8.370 nan 0.000 0.460 631 S N 0.328 116.091 115.700 0.104 0.000 2.368 631 S HA -0.131 4.339 4.470 0.001 0.000 0.224 631 S C 2.028 176.662 174.600 0.056 0.000 1.029 631 S CA 0.454 58.704 58.200 0.083 0.000 0.988 631 S CB -0.583 62.661 63.200 0.075 0.000 0.838 631 S HN 0.158 nan 8.310 nan 0.000 0.462 632 L N 0.607 121.819 121.223 -0.018 0.000 2.017 632 L HA 0.124 4.465 4.340 0.001 0.000 0.208 632 L C 2.134 178.924 176.870 -0.135 0.000 1.073 632 L CA 1.677 56.436 54.840 -0.136 0.000 0.745 632 L CB -1.032 40.852 42.059 -0.292 0.000 0.894 632 L HN 0.261 nan 8.230 nan 0.000 0.432 633 F N -1.000 118.981 119.950 0.052 0.000 2.186 633 F HA -0.162 4.365 4.527 0.001 0.000 0.299 633 F C 2.957 178.789 175.800 0.053 0.000 1.090 633 F CA 1.504 59.526 58.000 0.038 0.000 1.307 633 F CB -1.226 37.769 39.000 -0.010 0.000 1.019 633 F HN 0.169 nan 8.300 nan 0.000 0.489 634 S N -0.010 115.825 115.700 0.225 0.000 2.370 634 S HA -0.225 4.246 4.470 0.001 0.000 0.226 634 S C 2.323 177.004 174.600 0.134 0.000 1.033 634 S CA 1.301 59.594 58.200 0.155 0.000 1.011 634 S CB -0.563 62.711 63.200 0.123 0.000 0.852 634 S HN 0.301 nan 8.310 nan 0.000 0.457 635 A N 0.541 123.431 122.820 0.115 0.000 1.930 635 A HA 0.029 4.350 4.320 0.001 0.000 0.217 635 A C 2.339 180.022 177.584 0.165 0.000 1.175 635 A CA 1.660 53.769 52.037 0.120 0.000 0.627 635 A CB -0.904 18.150 19.000 0.089 0.000 0.815 635 A HN 0.466 nan 8.150 nan 0.000 0.443 636 V N 0.356 120.358 119.914 0.147 0.000 2.427 636 V HA -0.236 3.884 4.120 0.001 0.000 0.248 636 V C 2.524 178.747 176.094 0.214 0.000 1.051 636 V CA 2.261 64.662 62.300 0.169 0.000 1.048 636 V CB -0.586 31.315 31.823 0.130 0.000 0.666 636 V HN 0.726 nan 8.190 nan 0.000 0.456 637 K N 0.410 120.925 120.400 0.192 0.000 2.057 637 K HA -0.218 4.102 4.320 0.001 0.000 0.207 637 K C 1.965 178.659 176.600 0.158 0.000 1.049 637 K CA 1.913 58.300 56.287 0.167 0.000 0.931 637 K CB -0.170 32.413 32.500 0.140 0.000 0.714 637 K HN 0.430 nan 8.250 nan 0.000 0.440 638 N N 0.511 119.301 118.700 0.149 0.000 2.142 638 N HA -0.161 4.580 4.740 0.001 0.000 0.186 638 N C 1.575 177.164 175.510 0.131 0.000 1.023 638 N CA 1.107 54.226 53.050 0.115 0.000 0.852 638 N CB -0.524 38.017 38.487 0.091 0.000 0.998 638 N HN 0.206 nan 8.380 nan 0.000 0.424 639 F N 1.923 121.899 119.950 0.044 0.000 2.095 639 F HA -0.230 4.297 4.527 0.001 0.000 0.298 639 F C 2.176 178.010 175.800 0.057 0.000 1.104 639 F CA 1.422 59.445 58.000 0.037 0.000 1.232 639 F CB -0.404 38.629 39.000 0.054 0.000 0.987 639 F HN -0.023 nan 8.300 nan 0.000 0.475 640 T N -0.175 114.599 114.554 0.366 0.000 2.684 640 T HA -0.234 4.116 4.350 0.001 0.000 0.267 640 T C 1.706 176.490 174.700 0.140 0.000 1.036 640 T CA 1.883 64.141 62.100 0.263 0.000 1.148 640 T CB -0.379 68.612 68.868 0.206 0.000 0.863 640 T HN 0.390 nan 8.240 nan 0.000 0.436 641 E N 0.306 120.568 120.200 0.103 0.000 2.047 641 E HA -0.022 4.329 4.350 0.001 0.000 0.191 641 E C 2.189 178.808 176.600 0.030 0.000 0.987 641 E CA 0.881 57.319 56.400 0.064 0.000 0.799 641 E CB -0.184 29.550 29.700 0.057 0.000 0.752 641 E HN 0.458 nan 8.360 nan 0.000 0.449 642 I N 0.737 121.295 120.570 -0.021 0.000 2.439 642 I HA -0.192 3.978 4.170 0.001 0.000 0.251 642 I C 2.421 178.496 176.117 -0.069 0.000 1.139 642 I CA 0.575 61.836 61.300 -0.065 0.000 1.438 642 I CB -0.167 37.745 38.000 -0.147 0.000 1.085 642 I HN 0.088 nan 8.210 nan 0.000 0.427 643 A N 0.081 122.824 122.820 -0.129 0.000 1.902 643 A HA -0.186 4.134 4.320 0.001 0.000 0.217 643 A C 2.487 180.136 177.584 0.108 0.000 1.181 643 A CA 2.046 54.053 52.037 -0.050 0.000 0.623 643 A CB -0.687 18.300 19.000 -0.022 0.000 0.818 643 A HN 0.340 nan 8.150 nan 0.000 0.443 644 S N -0.322 115.434 115.700 0.093 0.000 2.359 644 S HA -0.158 4.312 4.470 0.001 0.000 0.224 644 S C 2.210 176.860 174.600 0.084 0.000 1.035 644 S CA 1.743 59.999 58.200 0.093 0.000 1.018 644 S CB -0.213 63.033 63.200 0.077 0.000 0.876 644 S HN 0.600 nan 8.310 nan 0.000 0.448 645 K N 0.555 120.999 120.400 0.074 0.000 2.097 645 K HA 0.009 4.329 4.320 0.001 0.000 0.206 645 K C 1.696 178.341 176.600 0.076 0.000 1.049 645 K CA 1.130 57.453 56.287 0.061 0.000 0.933 645 K CB -0.887 31.642 32.500 0.049 0.000 0.717 645 K HN 0.614 nan 8.250 nan 0.000 0.442 646 F N 2.059 121.995 119.950 -0.023 0.000 2.146 646 F HA -0.169 4.358 4.527 0.001 0.000 0.298 646 F C 2.206 178.015 175.800 0.016 0.000 1.096 646 F CA 1.658 59.645 58.000 -0.022 0.000 1.275 646 F CB -0.253 38.714 39.000 -0.055 0.000 1.008 646 F HN 0.113 nan 8.300 nan 0.000 0.480 647 S N 0.166 115.912 115.700 0.077 0.000 2.383 647 S HA -0.193 4.277 4.470 0.001 0.000 0.227 647 S C 1.723 176.295 174.600 -0.047 0.000 1.026 647 S CA 1.344 59.548 58.200 0.006 0.000 0.981 647 S CB -0.595 62.671 63.200 0.110 0.000 0.818 647 S HN 0.523 nan 8.310 nan 0.000 0.472 648 E N 1.499 121.688 120.200 -0.017 0.000 2.070 648 E HA -0.163 4.188 4.350 0.001 0.000 0.197 648 E C 2.358 178.934 176.600 -0.039 0.000 1.004 648 E CA 1.109 57.501 56.400 -0.014 0.000 0.805 648 E CB -0.181 29.521 29.700 0.003 0.000 0.744 648 E HN 0.443 nan 8.360 nan 0.000 0.451 649 R N 0.158 120.599 120.500 -0.099 0.000 2.120 649 R HA -0.113 4.227 4.340 0.001 0.000 0.234 649 R C 2.364 178.625 176.300 -0.065 0.000 1.123 649 R CA 0.647 56.686 56.100 -0.102 0.000 0.975 649 R CB -0.278 29.918 30.300 -0.174 0.000 0.866 649 R HN 0.131 nan 8.270 nan 0.000 0.446 650 L N 1.352 122.464 121.223 -0.186 0.000 2.156 650 L HA -0.126 4.215 4.340 0.001 0.000 0.208 650 L C 2.029 179.004 176.870 0.176 0.000 1.095 650 L CA 1.645 56.467 54.840 -0.031 0.000 0.770 650 L CB -0.166 41.761 42.059 -0.220 0.000 0.914 650 L HN 0.100 nan 8.230 nan 0.000 0.439 651 Q N -0.849 118.983 119.800 0.054 0.000 2.083 651 Q HA -0.119 4.222 4.340 0.001 0.000 0.198 651 Q C 0.242 176.233 176.000 -0.014 0.000 0.969 651 Q CA 1.330 57.140 55.803 0.012 0.000 0.838 651 Q CB 0.053 28.793 28.738 0.002 0.000 0.900 651 Q HN 0.423 nan 8.270 nan 0.000 0.436 652 D N 0.238 120.667 120.400 0.049 0.000 2.881 652 D HA 0.162 4.803 4.640 0.001 0.000 0.240 652 D C -0.677 175.681 176.300 0.095 0.000 1.249 652 D CA 0.081 54.103 54.000 0.036 0.000 0.839 652 D CB -0.351 40.473 40.800 0.040 0.000 1.042 652 D HN 0.121 nan 8.370 nan 0.000 0.475 653 F N -1.616 118.307 119.950 -0.045 0.000 2.685 653 F HA 0.519 5.047 4.527 0.001 0.000 0.315 653 F C -0.882 174.901 175.800 -0.029 0.000 1.126 653 F CA -1.289 56.688 58.000 -0.038 0.000 0.950 653 F CB 1.074 40.044 39.000 -0.049 0.000 1.360 653 F HN -0.338 nan 8.300 nan 0.000 0.469 658 P HA 0.064 nan 4.420 nan 0.000 0.230 658 P C 1.372 178.694 177.300 0.037 0.000 1.158 658 P CA 0.337 63.466 63.100 0.048 0.000 0.769 658 P CB 0.603 32.318 31.700 0.025 0.000 0.807 659 I N -0.945 119.643 120.570 0.030 0.000 2.429 659 I HA -0.077 4.094 4.170 0.001 0.000 0.247 659 I C 2.292 178.403 176.117 -0.010 0.000 1.099 659 I CA 0.828 62.134 61.300 0.009 0.000 1.422 659 I CB -1.458 36.546 38.000 0.006 0.000 1.112 659 I HN -0.176 nan 8.210 nan 0.000 0.430 660 V N 1.314 121.221 119.914 -0.011 0.000 2.720 660 V HA -0.214 3.906 4.120 0.001 0.000 0.256 660 V C 2.419 178.380 176.094 -0.220 0.000 1.082 660 V CA 1.158 63.394 62.300 -0.107 0.000 1.101 660 V CB -0.639 31.136 31.823 -0.081 0.000 0.693 660 V HN 0.313 nan 8.190 nan 0.000 0.479 661 L N 0.624 121.829 121.223 -0.030 0.000 2.034 661 L HA 0.019 4.360 4.340 0.001 0.000 0.203 661 L C 2.525 179.387 176.870 -0.013 0.000 1.074 661 L CA 1.920 56.794 54.840 0.057 0.000 0.748 661 L CB -0.921 41.267 42.059 0.214 0.000 0.905 661 L HN 0.208 nan 8.230 nan 0.000 0.439 662 R N 0.293 120.793 120.500 0.000 0.000 2.119 662 R HA -0.254 4.087 4.340 0.001 0.000 0.246 662 R C 2.332 178.626 176.300 -0.010 0.000 1.146 662 R CA 2.677 58.773 56.100 -0.007 0.000 0.962 662 R CB -1.003 29.296 30.300 -0.003 0.000 0.863 662 R HN 0.666 nan 8.270 nan 0.000 0.442 663 M N -1.055 118.527 119.600 -0.030 0.000 2.099 663 M HA -0.124 4.356 4.480 0.001 0.000 0.262 663 M C 1.740 178.040 176.300 -0.001 0.000 1.067 663 M CA 1.907 57.199 55.300 -0.014 0.000 1.124 663 M CB -0.070 32.508 32.600 -0.037 0.000 1.353 663 M HN 0.176 nan 8.290 nan 0.000 0.410 664 M N 0.338 119.894 119.600 -0.074 0.000 2.254 664 M HA -0.111 4.369 4.480 0.001 0.000 0.265 664 M C 1.540 177.899 176.300 0.099 0.000 1.066 664 M CA 1.139 56.434 55.300 -0.007 0.000 1.123 664 M CB -1.034 31.391 32.600 -0.292 0.000 1.388 664 M HN 0.390 nan 8.290 nan 0.000 0.425 665 N N 1.042 119.763 118.700 0.035 0.000 2.223 665 N HA -0.141 4.600 4.740 0.001 0.000 0.185 665 N C 1.167 176.686 175.510 0.014 0.000 1.016 665 N CA 1.265 54.333 53.050 0.030 0.000 0.863 665 N CB -0.335 38.145 38.487 -0.013 0.000 0.983 665 N HN 0.290 nan 8.380 nan 0.000 0.429 666 D N 0.606 121.020 120.400 0.023 0.000 2.149 666 D HA -0.059 4.581 4.640 0.001 0.000 0.201 666 D C 1.875 178.249 176.300 0.123 0.000 0.972 666 D CA 0.654 54.672 54.000 0.029 0.000 0.835 666 D CB -0.119 40.779 40.800 0.162 0.000 0.966 666 D HN 0.338 nan 8.370 nan 0.000 0.476 667 Q N -0.388 119.489 119.800 0.128 0.000 2.124 667 Q HA -0.110 4.230 4.340 0.001 0.000 0.202 667 Q C 1.791 177.806 176.000 0.026 0.000 0.977 667 Q CA 0.625 56.474 55.803 0.076 0.000 0.850 667 Q CB 0.097 28.858 28.738 0.037 0.000 0.901 667 Q HN 0.171 nan 8.270 nan 0.000 0.429 668 L N 0.004 121.295 121.223 0.114 0.000 2.109 668 L HA -0.102 4.239 4.340 0.001 0.000 0.207 668 L C 2.169 179.199 176.870 0.266 0.000 1.086 668 L CA 1.547 56.519 54.840 0.219 0.000 0.760 668 L CB -0.817 41.427 42.059 0.308 0.000 0.910 668 L HN 0.338 nan 8.230 nan 0.000 0.437 669 M N -1.915 117.755 119.600 0.116 0.000 2.132 669 M HA -0.223 4.258 4.480 0.001 0.000 0.263 669 M C 1.701 177.932 176.300 -0.115 0.000 1.065 669 M CA 1.806 57.109 55.300 0.006 0.000 1.122 669 M CB -0.082 32.345 32.600 -0.289 0.000 1.365 669 M HN 0.099 nan 8.290 nan 0.000 0.411 670 F N -0.161 119.821 119.950 0.055 0.000 2.811 670 F HA 0.018 4.545 4.527 0.001 0.000 0.301 670 F C 1.654 177.408 175.800 -0.078 0.000 1.151 670 F CA 0.173 58.163 58.000 -0.016 0.000 1.412 670 F CB -0.640 38.331 39.000 -0.050 0.000 1.113 670 F HN 0.175 nan 8.300 nan 0.000 0.579 671 L N 0.501 121.765 121.223 0.068 0.000 2.027 671 L HA -0.141 4.199 4.340 0.001 0.000 0.206 671 L C 2.337 179.170 176.870 -0.061 0.000 1.074 671 L CA 1.899 56.703 54.840 -0.059 0.000 0.745 671 L CB -0.832 41.209 42.059 -0.031 0.000 0.898 671 L HN 0.063 nan 8.230 nan 0.000 0.433 672 E N -0.327 119.931 120.200 0.096 0.000 2.118 672 E HA -0.277 4.073 4.350 0.001 0.000 0.195 672 E C 2.340 178.981 176.600 0.068 0.000 0.992 672 E CA 1.166 57.704 56.400 0.230 0.000 0.804 672 E CB -0.151 29.707 29.700 0.262 0.000 0.741 672 E HN 0.290 nan 8.360 nan 0.000 0.458 673 R N -0.313 120.217 120.500 0.049 0.000 2.152 673 R HA 0.006 4.347 4.340 0.001 0.000 0.232 673 R C 1.966 178.207 176.300 -0.098 0.000 1.117 673 R CA 1.262 57.379 56.100 0.028 0.000 0.981 673 R CB -0.511 29.921 30.300 0.219 0.000 0.870 673 R HN 0.254 nan 8.270 nan 0.000 0.451 674 A N -0.955 121.738 122.820 -0.213 0.000 2.067 674 A HA -0.070 4.250 4.320 0.001 0.000 0.219 674 A C 1.342 178.664 177.584 -0.437 0.000 1.158 674 A CA 0.836 52.657 52.037 -0.359 0.000 0.661 674 A CB -0.472 18.231 19.000 -0.496 0.000 0.801 674 A HN 0.307 nan 8.150 nan 0.000 0.452 675 F N 0.039 119.843 119.950 -0.243 0.000 2.811 675 F HA 0.195 4.722 4.527 0.001 0.000 0.301 675 F C 0.621 176.218 175.800 -0.337 0.000 1.151 675 F CA -0.519 57.298 58.000 -0.305 0.000 1.412 675 F CB -0.062 38.721 39.000 -0.361 0.000 1.113 675 F HN 0.027 nan 8.300 nan 0.000 0.579 676 I N 0.958 121.429 120.570 -0.164 0.000 2.441 676 I HA 0.054 4.225 4.170 0.001 0.000 0.287 676 I C -0.005 176.075 176.117 -0.062 0.000 1.049 676 I CA -0.221 61.002 61.300 -0.129 0.000 1.381 676 I CB 0.503 38.432 38.000 -0.118 0.000 1.409 676 I HN -0.077 nan 8.210 nan 0.000 0.523 677 D N 9.146 129.530 120.400 -0.027 0.000 2.349 677 D HA 0.305 4.945 4.640 0.001 0.000 0.232 677 D C -1.732 174.555 176.300 -0.022 0.000 1.071 677 D CA -2.048 51.948 54.000 -0.006 0.000 0.832 677 D CB 2.329 43.139 40.800 0.017 0.000 1.086 677 D HN 0.197 nan 8.370 nan 0.000 0.504 678 P HA -0.059 nan 4.420 nan 0.000 0.225 678 P C 1.495 178.760 177.300 -0.060 0.000 1.148 678 P CA 0.518 63.593 63.100 -0.042 0.000 0.779 678 P CB 0.448 32.125 31.700 -0.037 0.000 0.780 679 L N -1.665 119.527 121.223 -0.052 0.000 2.552 679 L HA 0.144 4.484 4.340 0.001 0.000 0.227 679 L C 1.404 178.225 176.870 -0.082 0.000 1.146 679 L CA 0.497 55.296 54.840 -0.068 0.000 0.858 679 L CB -1.293 40.735 42.059 -0.052 0.000 0.969 679 L HN 0.102 nan 8.230 nan 0.000 0.451 680 G N 0.546 109.308 108.800 -0.063 0.000 2.796 680 G HA2 -0.262 3.699 3.960 0.001 0.000 0.226 680 G HA3 -0.262 3.699 3.960 0.001 0.000 0.226 680 G C -0.532 174.357 174.900 -0.018 0.000 1.381 680 G CA -0.656 44.413 45.100 -0.052 0.000 0.867 680 G HN 0.060 nan 8.290 nan 0.000 0.552 681 L N 1.054 122.285 121.223 0.014 0.000 2.399 681 L HA 0.447 4.788 4.340 0.001 0.000 0.265 681 L C -1.739 175.131 176.870 0.001 0.000 1.089 681 L CA -1.947 52.911 54.840 0.031 0.000 0.802 681 L CB 1.326 43.434 42.059 0.082 0.000 1.180 681 L HN 0.342 nan 8.230 nan 0.000 0.454 682 P HA -0.005 nan 4.420 nan 0.000 0.263 682 P C -0.520 176.768 177.300 -0.020 0.000 1.195 682 P CA 0.382 63.474 63.100 -0.013 0.000 0.762 682 P CB 0.251 31.949 31.700 -0.003 0.000 0.799 683 D N 1.284 121.658 120.400 -0.043 0.000 3.059 683 D HA -0.214 4.426 4.640 0.001 0.000 0.213 683 D C -0.102 176.154 176.300 -0.073 0.000 1.144 683 D CA 1.228 55.195 54.000 -0.055 0.000 0.975 683 D CB -0.827 39.952 40.800 -0.035 0.000 1.125 683 D HN 0.582 nan 8.370 nan 0.000 0.412 684 R N -0.127 120.327 120.500 -0.076 0.000 2.639 684 R HA 0.199 4.539 4.340 0.001 0.000 0.273 684 R C -1.933 174.257 176.300 -0.184 0.000 1.732 684 R CA -1.261 54.770 56.100 -0.116 0.000 1.586 684 R CB 1.411 31.718 30.300 0.012 0.000 1.263 684 R HN -0.039 nan 8.270 nan 0.000 0.615 685 P HA -0.120 nan 4.420 nan 0.000 0.225 685 P C 0.421 177.383 177.300 -0.563 0.000 1.148 685 P CA 1.155 63.963 63.100 -0.487 0.000 0.779 685 P CB 0.157 31.412 31.700 -0.742 0.000 0.780 686 F N -2.925 116.898 119.950 -0.211 0.000 2.727 686 F HA 0.177 4.705 4.527 0.001 0.000 0.302 686 F C 0.637 176.352 175.800 -0.141 0.000 1.097 686 F CA -0.284 57.578 58.000 -0.230 0.000 1.330 686 F CB -0.500 38.309 39.000 -0.318 0.000 1.084 686 F HN -0.209 nan 8.300 nan 0.000 0.578 687 Y N 0.808 121.136 120.300 0.045 0.000 2.504 687 Y HA 0.416 4.967 4.550 0.001 0.000 0.339 687 Y C 1.079 176.981 175.900 0.004 0.000 0.974 687 Y CA -1.339 56.779 58.100 0.029 0.000 1.232 687 Y CB 0.382 38.854 38.460 0.020 0.000 1.108 687 Y HN -0.003 nan 8.280 nan 0.000 0.509 688 R N -0.268 120.330 120.500 0.163 0.000 2.404 688 R HA 0.061 4.402 4.340 0.001 0.000 0.237 688 R C 0.034 176.362 176.300 0.047 0.000 0.907 688 R CA -0.242 55.896 56.100 0.063 0.000 1.063 688 R CB 0.449 30.758 30.300 0.014 0.000 1.134 688 R HN 0.425 nan 8.270 nan 0.000 0.529 689 H N 1.196 120.259 119.070 -0.010 0.000 2.899 689 H HA 0.029 4.586 4.556 0.001 0.000 0.303 689 H C 1.097 176.399 175.328 -0.044 0.000 1.042 689 H CA 0.140 56.148 56.048 -0.066 0.000 1.479 689 H CB 1.134 30.782 29.762 -0.190 0.000 1.493 689 H HN -0.166 nan 8.280 nan 0.000 0.534 690 V N 6.442 126.490 119.914 0.222 0.000 2.871 690 V HA -0.169 3.951 4.120 0.001 0.000 0.256 690 V C 2.010 178.124 176.094 0.033 0.000 1.082 690 V CA 0.804 63.193 62.300 0.148 0.000 1.105 690 V CB -0.232 31.686 31.823 0.158 0.000 0.713 690 V HN 0.645 nan 8.190 nan 0.000 0.473 691 I N -1.583 118.905 120.570 -0.137 0.000 2.628 691 I HA 0.125 4.296 4.170 0.001 0.000 0.255 691 I C 0.512 176.047 176.117 -0.969 0.000 1.119 691 I CA 0.791 61.626 61.300 -0.775 0.000 1.448 691 I CB -0.573 36.742 38.000 -1.142 0.000 1.133 691 I HN 0.221 nan 8.210 nan 0.000 0.438 692 Y N 0.535 120.513 120.300 -0.536 0.000 2.409 692 Y HA 0.742 5.293 4.550 0.001 0.000 0.343 692 Y C 0.101 175.847 175.900 -0.257 0.000 0.973 692 Y CA -1.220 56.636 58.100 -0.406 0.000 1.064 692 Y CB 1.703 39.959 38.460 -0.340 0.000 1.207 692 Y HN 0.022 nan 8.280 nan 0.000 0.452 693 A N 3.049 125.827 122.820 -0.071 0.000 2.594 693 A HA 0.837 5.158 4.320 0.001 0.000 0.291 693 A C -3.185 174.252 177.584 -0.246 0.000 1.105 693 A CA -2.163 49.749 52.037 -0.208 0.000 0.694 693 A CB 1.555 20.430 19.000 -0.209 0.000 1.291 693 A HN 0.416 nan 8.150 nan 0.000 0.410 694 P HA 0.151 nan 4.420 nan 0.000 0.268 694 P C 0.106 177.276 177.300 -0.217 0.000 1.205 694 P CA 0.198 63.131 63.100 -0.279 0.000 0.771 694 P CB 0.720 32.208 31.700 -0.354 0.000 0.858 695 S N 2.372 117.980 115.700 -0.154 0.000 2.575 695 S HA -0.029 4.442 4.470 0.001 0.000 0.295 695 S C 1.312 175.823 174.600 -0.149 0.000 1.267 695 S CA -0.005 58.110 58.200 -0.142 0.000 1.074 695 S CB -0.425 62.718 63.200 -0.096 0.000 0.829 695 S HN 0.351 nan 8.310 nan 0.000 0.497 696 S N 4.049 119.622 115.700 -0.212 0.000 2.462 696 S HA -0.103 4.368 4.470 0.001 0.000 0.243 696 S C 1.046 175.307 174.600 -0.566 0.000 1.003 696 S CA 0.991 58.978 58.200 -0.356 0.000 0.970 696 S CB -0.395 62.537 63.200 -0.446 0.000 0.762 696 S HN 0.861 nan 8.310 nan 0.000 0.510 697 H N -0.368 118.619 119.070 -0.139 0.000 2.652 697 H HA 0.340 4.897 4.556 0.001 0.000 0.274 697 H C 0.127 175.412 175.328 -0.071 0.000 1.021 697 H CA 0.024 55.993 56.048 -0.131 0.000 1.187 697 H CB 0.286 29.925 29.762 -0.206 0.000 1.505 697 H HN 0.253 nan 8.280 nan 0.000 0.530 698 N N 0.842 119.546 118.700 0.006 0.000 3.321 698 N HA -0.015 4.725 4.740 0.001 0.000 0.217 698 N C 0.511 176.004 175.510 -0.029 0.000 1.405 698 N CA -0.197 52.864 53.050 0.019 0.000 0.799 698 N CB 0.867 39.380 38.487 0.043 0.000 1.619 698 N HN -0.101 nan 8.380 nan 0.000 0.648 699 K N 1.264 121.618 120.400 -0.077 0.000 2.228 699 K HA -0.187 4.133 4.320 0.001 0.000 0.205 699 K C 0.486 176.999 176.600 -0.145 0.000 1.045 699 K CA 1.677 57.840 56.287 -0.207 0.000 0.931 699 K CB 0.021 32.226 32.500 -0.492 0.000 0.727 699 K HN 0.467 nan 8.250 nan 0.000 0.458 700 Y N -0.322 119.955 120.300 -0.038 0.000 2.395 700 Y HA 0.122 4.673 4.550 0.001 0.000 0.293 700 Y C 0.968 176.857 175.900 -0.018 0.000 1.123 700 Y CA 0.259 58.346 58.100 -0.021 0.000 1.227 700 Y CB -0.272 38.195 38.460 0.012 0.000 1.012 700 Y HN -0.007 nan 8.280 nan 0.000 0.552 701 A N 0.437 123.325 122.820 0.112 0.000 2.301 701 A HA 0.593 4.914 4.320 0.001 0.000 0.298 701 A C 0.829 178.393 177.584 -0.033 0.000 1.185 701 A CA -0.031 52.022 52.037 0.026 0.000 0.830 701 A CB -0.110 18.888 19.000 -0.003 0.000 1.112 701 A HN 0.299 nan 8.150 nan 0.000 0.508 702 G N 0.922 109.690 108.800 -0.053 0.000 2.432 702 G HA2 0.472 4.432 3.960 0.001 0.000 0.257 702 G HA3 0.472 4.432 3.960 0.001 0.000 0.257 702 G C -0.319 174.504 174.900 -0.128 0.000 1.238 702 G CA -0.059 44.991 45.100 -0.082 0.000 0.838 702 G HN 0.745 nan 8.290 nan 0.000 0.547 703 E N 0.260 120.362 120.200 -0.164 0.000 2.212 703 E HA 0.517 4.868 4.350 0.001 0.000 0.268 703 E C 0.069 176.509 176.600 -0.267 0.000 0.902 703 E CA -0.637 55.603 56.400 -0.266 0.000 0.779 703 E CB 1.444 30.936 29.700 -0.347 0.000 1.172 703 E HN 0.494 nan 8.360 nan 0.000 0.409 704 S N 2.673 118.125 115.700 -0.413 0.000 2.585 704 S HA 0.443 4.913 4.470 0.001 0.000 0.277 704 S C -0.279 174.109 174.600 -0.354 0.000 1.241 704 S CA -0.613 57.167 58.200 -0.700 0.000 1.041 704 S CB 0.137 62.490 63.200 -1.413 0.000 0.987 704 S HN 0.536 nan 8.310 nan 0.000 0.512 705 F N 0.465 120.250 119.950 -0.275 0.000 2.907 705 F HA -0.098 4.429 4.527 0.001 0.000 0.244 705 F C -1.125 174.674 175.800 -0.002 0.000 1.007 705 F CA 0.312 58.257 58.000 -0.091 0.000 0.872 705 F CB -1.916 37.087 39.000 0.004 0.000 0.767 705 F HN 0.562 nan 8.300 nan 0.000 0.837 706 P HA -0.167 nan 4.420 nan 0.000 0.219 706 P C 1.775 179.170 177.300 0.159 0.000 1.146 706 P CA 2.000 65.156 63.100 0.092 0.000 0.808 706 P CB 0.065 31.761 31.700 -0.005 0.000 0.779 707 G N 0.198 109.086 108.800 0.147 0.000 2.403 707 G HA2 -0.134 3.827 3.960 0.001 0.000 0.216 707 G HA3 -0.134 3.827 3.960 0.001 0.000 0.216 707 G C 1.638 176.611 174.900 0.122 0.000 1.154 707 G CA 0.307 45.477 45.100 0.116 0.000 0.784 707 G HN 0.244 nan 8.290 nan 0.000 0.538 708 I N -0.925 119.742 120.570 0.162 0.000 2.286 708 I HA -0.057 4.113 4.170 0.001 0.000 0.245 708 I C 2.414 178.640 176.117 0.181 0.000 1.104 708 I CA 0.808 62.194 61.300 0.143 0.000 1.397 708 I CB -0.301 37.795 38.000 0.161 0.000 1.072 708 I HN 0.201 nan 8.210 nan 0.000 0.417 709 Y N 2.140 122.524 120.300 0.139 0.000 2.145 709 Y HA -0.301 4.249 4.550 0.001 0.000 0.286 709 Y C 2.168 178.165 175.900 0.161 0.000 1.145 709 Y CA 1.830 60.023 58.100 0.155 0.000 1.148 709 Y CB -0.134 38.407 38.460 0.135 0.000 0.981 709 Y HN 0.152 nan 8.280 nan 0.000 0.507 710 D N 0.110 120.702 120.400 0.321 0.000 2.219 710 D HA -0.135 4.506 4.640 0.001 0.000 0.205 710 D C 2.164 178.522 176.300 0.097 0.000 0.970 710 D CA 1.229 55.362 54.000 0.221 0.000 0.851 710 D CB -0.434 40.467 40.800 0.168 0.000 0.943 710 D HN 0.509 nan 8.370 nan 0.000 0.488 711 A N 0.202 123.038 122.820 0.028 0.000 2.015 711 A HA -0.039 4.282 4.320 0.001 0.000 0.219 711 A C 2.228 179.694 177.584 -0.196 0.000 1.163 711 A CA 0.644 52.633 52.037 -0.079 0.000 0.646 711 A CB -0.449 18.497 19.000 -0.091 0.000 0.806 711 A HN 0.209 nan 8.150 nan 0.000 0.448 712 L N -2.013 119.109 121.223 -0.170 0.000 2.375 712 L HA 0.157 4.497 4.340 0.001 0.000 0.215 712 L C 0.707 177.457 176.870 -0.200 0.000 1.108 712 L CA -0.342 54.343 54.840 -0.258 0.000 0.830 712 L CB -0.146 41.826 42.059 -0.146 0.000 0.959 712 L HN 0.407 nan 8.230 nan 0.000 0.457 713 F N 1.895 121.697 119.950 -0.246 0.000 2.543 713 F HA 0.001 4.528 4.527 0.001 0.000 0.375 713 F C 1.097 176.870 175.800 -0.046 0.000 1.075 713 F CA -0.102 57.801 58.000 -0.160 0.000 1.225 713 F CB -0.000 38.992 39.000 -0.012 0.000 1.099 713 F HN 0.099 nan 8.300 nan 0.000 0.561 714 D N 4.353 124.343 120.400 -0.685 0.000 2.837 714 D HA -0.308 4.332 4.640 0.001 0.000 0.230 714 D C 1.072 177.236 176.300 -0.225 0.000 1.152 714 D CA 1.188 54.914 54.000 -0.457 0.000 0.736 714 D CB -1.450 39.160 40.800 -0.316 0.000 1.084 714 D HN 0.710 nan 8.370 nan 0.000 0.429 715 I N 0.265 120.688 120.570 -0.245 0.000 2.493 715 I HA -0.230 3.940 4.170 0.001 0.000 0.254 715 I C 2.211 178.233 176.117 -0.159 0.000 1.160 715 I CA 1.366 62.501 61.300 -0.275 0.000 1.445 715 I CB -0.020 37.658 38.000 -0.536 0.000 1.086 715 I HN 0.214 nan 8.210 nan 0.000 0.433 716 E N 0.282 120.427 120.200 -0.091 0.000 2.219 716 E HA -0.207 4.143 4.350 0.001 0.000 0.198 716 E C 1.763 178.347 176.600 -0.027 0.000 0.998 716 E CA 1.519 57.924 56.400 0.008 0.000 0.818 716 E CB -0.808 28.935 29.700 0.072 0.000 0.741 716 E HN 0.445 nan 8.360 nan 0.000 0.477 717 S N 0.502 116.154 115.700 -0.079 0.000 2.593 717 S HA 0.055 4.526 4.470 0.001 0.000 0.217 717 S C 0.615 175.188 174.600 -0.045 0.000 0.966 717 S CA -0.067 58.088 58.200 -0.076 0.000 0.914 717 S CB 0.216 63.342 63.200 -0.122 0.000 0.776 717 S HN 0.112 nan 8.310 nan 0.000 0.523 718 K N 1.245 121.620 120.400 -0.043 0.000 2.185 718 K HA 0.283 4.603 4.320 0.001 0.000 0.271 718 K C 1.107 177.702 176.600 -0.008 0.000 1.013 718 K CA -0.205 56.063 56.287 -0.033 0.000 0.943 718 K CB 1.095 33.556 32.500 -0.065 0.000 0.998 718 K HN -0.112 nan 8.250 nan 0.000 0.468 719 V N 0.479 120.390 119.914 -0.006 0.000 2.323 719 V HA -0.173 3.948 4.120 0.001 0.000 0.244 719 V C 0.809 176.913 176.094 0.017 0.000 1.041 719 V CA 1.612 63.916 62.300 0.006 0.000 1.025 719 V CB -0.211 31.614 31.823 0.003 0.000 0.656 719 V HN 0.739 nan 8.190 nan 0.000 0.451 720 D N -0.215 120.189 120.400 0.006 0.000 2.505 720 D HA 0.202 4.843 4.640 0.001 0.000 0.242 720 D C -1.619 174.684 176.300 0.005 0.000 1.136 720 D CA -2.272 51.734 54.000 0.010 0.000 0.954 720 D CB 1.426 42.223 40.800 -0.006 0.000 1.002 720 D HN 0.159 nan 8.370 nan 0.000 0.512 721 P HA -0.181 nan 4.420 nan 0.000 0.217 721 P C 1.355 178.609 177.300 -0.076 0.000 1.148 721 P CA 1.013 64.189 63.100 0.126 0.000 0.828 721 P CB 0.129 32.006 31.700 0.296 0.000 0.783 722 S N -0.293 115.308 115.700 -0.164 0.000 2.406 722 S HA -0.124 4.347 4.470 0.001 0.000 0.228 722 S C 2.089 176.526 174.600 -0.272 0.000 1.020 722 S CA 1.028 58.943 58.200 -0.476 0.000 0.965 722 S CB -0.803 62.337 63.200 -0.100 0.000 0.798 722 S HN 0.147 nan 8.310 nan 0.000 0.488 723 K N 1.943 122.262 120.400 -0.135 0.000 2.025 723 K HA 0.107 4.427 4.320 0.001 0.000 0.207 723 K C 2.292 178.810 176.600 -0.137 0.000 1.049 723 K CA 1.124 57.349 56.287 -0.103 0.000 0.933 723 K CB -0.738 31.724 32.500 -0.063 0.000 0.714 723 K HN 0.372 nan 8.250 nan 0.000 0.438 724 A N 0.298 123.018 122.820 -0.167 0.000 1.902 724 A HA -0.151 4.169 4.320 0.001 0.000 0.217 724 A C 1.857 179.203 177.584 -0.398 0.000 1.181 724 A CA 1.475 53.349 52.037 -0.271 0.000 0.623 724 A CB -1.024 17.788 19.000 -0.315 0.000 0.818 724 A HN 0.609 nan 8.150 nan 0.000 0.443 725 W N -0.338 120.794 121.300 -0.281 0.000 2.436 725 W HA 0.125 4.785 4.660 0.001 0.000 0.284 725 W C 2.484 178.882 176.519 -0.202 0.000 1.225 725 W CA 0.787 57.974 57.345 -0.264 0.000 1.271 725 W CB -0.484 28.730 29.460 -0.412 0.000 1.114 725 W HN 0.375 nan 8.180 nan 0.000 0.559 726 G N 0.253 109.013 108.800 -0.066 0.000 2.469 726 G HA2 -0.351 3.609 3.960 0.001 0.000 0.220 726 G HA3 -0.351 3.609 3.960 0.001 0.000 0.220 726 G C 1.300 176.176 174.900 -0.041 0.000 1.136 726 G CA 1.617 46.690 45.100 -0.045 0.000 0.759 726 G HN 0.261 nan 8.290 nan 0.000 0.562 727 E N 0.017 120.169 120.200 -0.080 0.000 2.158 727 E HA 0.006 4.357 4.350 0.001 0.000 0.191 727 E C 2.584 179.137 176.600 -0.078 0.000 0.982 727 E CA 0.485 56.841 56.400 -0.073 0.000 0.823 727 E CB -0.242 29.402 29.700 -0.093 0.000 0.766 727 E HN 0.181 nan 8.360 nan 0.000 0.468 728 V N 1.106 120.944 119.914 -0.127 0.000 2.287 728 V HA -0.279 3.841 4.120 0.001 0.000 0.248 728 V C 2.181 178.246 176.094 -0.049 0.000 1.053 728 V CA 2.252 64.488 62.300 -0.106 0.000 1.027 728 V CB -0.419 31.312 31.823 -0.154 0.000 0.646 728 V HN 0.248 nan 8.190 nan 0.000 0.447 729 K N -0.393 120.000 120.400 -0.011 0.000 2.103 729 K HA -0.145 4.175 4.320 0.001 0.000 0.204 729 K C 2.389 178.996 176.600 0.011 0.000 1.052 729 K CA 1.186 57.460 56.287 -0.022 0.000 0.945 729 K CB -0.214 32.294 32.500 0.014 0.000 0.722 729 K HN 0.303 nan 8.250 nan 0.000 0.443 730 R N 0.991 121.511 120.500 0.034 0.000 2.081 730 R HA -0.152 4.189 4.340 0.001 0.000 0.235 730 R C 2.106 178.470 176.300 0.106 0.000 1.131 730 R CA 1.402 57.568 56.100 0.110 0.000 0.960 730 R CB 0.104 30.447 30.300 0.071 0.000 0.856 730 R HN 0.144 nan 8.270 nan 0.000 0.436 731 Q N 0.263 120.080 119.800 0.029 0.000 2.172 731 Q HA -0.105 4.235 4.340 0.001 0.000 0.200 731 Q C 2.199 178.186 176.000 -0.022 0.000 0.964 731 Q CA 1.145 56.953 55.803 0.009 0.000 0.855 731 Q CB -0.053 28.689 28.738 0.007 0.000 0.918 731 Q HN 0.467 nan 8.270 nan 0.000 0.444 732 I N 0.169 120.699 120.570 -0.068 0.000 2.226 732 I HA -0.308 3.863 4.170 0.001 0.000 0.245 732 I C 2.344 178.447 176.117 -0.023 0.000 1.100 732 I CA 1.294 62.507 61.300 -0.146 0.000 1.374 732 I CB -0.406 37.402 38.000 -0.320 0.000 1.057 732 I HN 0.131 nan 8.210 nan 0.000 0.413 733 Y N 1.398 121.651 120.300 -0.079 0.000 2.145 733 Y HA -0.210 4.340 4.550 0.001 0.000 0.286 733 Y C 2.355 178.289 175.900 0.056 0.000 1.145 733 Y CA 1.404 59.493 58.100 -0.017 0.000 1.148 733 Y CB -0.807 37.637 38.460 -0.026 0.000 0.981 733 Y HN -0.098 nan 8.280 nan 0.000 0.507 734 V N 0.824 120.615 119.914 -0.206 0.000 2.343 734 V HA -0.315 3.805 4.120 0.001 0.000 0.247 734 V C 2.742 178.825 176.094 -0.018 0.000 1.051 734 V CA 1.926 64.105 62.300 -0.201 0.000 1.036 734 V CB -1.624 30.138 31.823 -0.101 0.000 0.654 734 V HN 0.578 nan 8.190 nan 0.000 0.451 735 A N -0.249 122.563 122.820 -0.013 0.000 1.897 735 A HA -0.004 4.316 4.320 0.001 0.000 0.215 735 A C 2.415 180.004 177.584 0.009 0.000 1.181 735 A CA 1.795 53.842 52.037 0.017 0.000 0.620 735 A CB -0.701 18.215 19.000 -0.140 0.000 0.821 735 A HN 0.541 nan 8.150 nan 0.000 0.443 736 A N -0.800 122.012 122.820 -0.015 0.000 1.877 736 A HA -0.042 4.279 4.320 0.001 0.000 0.216 736 A C 2.045 179.673 177.584 0.073 0.000 1.186 736 A CA 1.658 53.714 52.037 0.031 0.000 0.620 736 A CB -0.793 18.245 19.000 0.064 0.000 0.822 736 A HN 0.788 nan 8.150 nan 0.000 0.443 737 F N 1.634 121.560 119.950 -0.040 0.000 2.126 737 F HA -0.150 4.377 4.527 0.001 0.000 0.299 737 F C 2.242 178.024 175.800 -0.030 0.000 1.096 737 F CA 2.314 60.281 58.000 -0.056 0.000 1.255 737 F CB -0.819 38.061 39.000 -0.200 0.000 0.997 737 F HN 0.189 nan 8.300 nan 0.000 0.479 738 T N 0.007 114.343 114.554 -0.363 0.000 2.857 738 T HA -0.079 4.272 4.350 0.001 0.000 0.266 738 T C 2.213 176.792 174.700 -0.201 0.000 1.048 738 T CA 1.326 63.188 62.100 -0.397 0.000 1.139 738 T CB -0.504 68.331 68.868 -0.055 0.000 0.874 738 T HN 0.146 nan 8.240 nan 0.000 0.455 739 V N 1.486 121.396 119.914 -0.006 0.000 2.307 739 V HA -0.164 3.957 4.120 0.001 0.000 0.245 739 V C 2.673 178.815 176.094 0.079 0.000 1.045 739 V CA 1.684 64.066 62.300 0.137 0.000 1.024 739 V CB -0.617 31.306 31.823 0.166 0.000 0.651 739 V HN 0.349 nan 8.190 nan 0.000 0.449 740 Q N 0.571 120.359 119.800 -0.020 0.000 2.096 740 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 740 Q C 2.055 177.966 176.000 -0.148 0.000 0.982 740 Q CA 2.364 58.145 55.803 -0.037 0.000 0.850 740 Q CB -0.514 28.225 28.738 0.001 0.000 0.901 740 Q HN 0.615 nan 8.270 nan 0.000 0.422 741 A N -0.129 122.481 122.820 -0.350 0.000 1.930 741 A HA 0.133 4.454 4.320 0.001 0.000 0.215 741 A C 2.270 179.662 177.584 -0.320 0.000 1.176 741 A CA 1.350 53.156 52.037 -0.386 0.000 0.632 741 A CB -1.054 17.536 19.000 -0.684 0.000 0.819 741 A HN 0.494 nan 8.150 nan 0.000 0.445 742 A N 0.314 122.920 122.820 -0.356 0.000 1.892 742 A HA 0.043 4.363 4.320 0.001 0.000 0.218 742 A C 2.523 179.925 177.584 -0.303 0.000 1.188 742 A CA 2.443 54.225 52.037 -0.425 0.000 0.631 742 A CB -1.162 17.388 19.000 -0.750 0.000 0.822 742 A HN 1.107 nan 8.150 nan 0.000 0.447 743 A N -0.393 122.311 122.820 -0.193 0.000 1.908 743 A HA -0.212 4.109 4.320 0.001 0.000 0.218 743 A C 1.886 179.281 177.584 -0.315 0.000 1.181 743 A CA 1.749 53.546 52.037 -0.399 0.000 0.627 743 A CB -0.603 18.274 19.000 -0.204 0.000 0.818 743 A HN 0.656 nan 8.150 nan 0.000 0.445 744 E N -0.618 119.457 120.200 -0.208 0.000 2.338 744 E HA -0.111 4.240 4.350 0.001 0.000 0.197 744 E C 1.962 178.459 176.600 -0.173 0.000 1.007 744 E CA 1.176 57.481 56.400 -0.159 0.000 0.849 744 E CB -0.259 29.376 29.700 -0.109 0.000 0.774 744 E HN 0.881 nan 8.360 nan 0.000 0.506 745 T N -1.378 113.042 114.554 -0.223 0.000 3.035 745 T HA -0.028 4.323 4.350 0.001 0.000 0.268 745 T C 1.666 176.223 174.700 -0.240 0.000 1.109 745 T CA 0.510 62.486 62.100 -0.207 0.000 1.119 745 T CB -0.058 68.684 68.868 -0.211 0.000 0.900 745 T HN 0.100 nan 8.240 nan 0.000 0.503 746 L N 0.894 121.920 121.223 -0.328 0.000 2.585 746 L HA 0.286 4.626 4.340 0.001 0.000 0.226 746 L C 1.134 177.919 176.870 -0.141 0.000 1.113 746 L CA -0.401 54.177 54.840 -0.436 0.000 0.876 746 L CB -0.146 41.509 42.059 -0.673 0.000 1.072 746 L HN 0.132 nan 8.230 nan 0.000 0.468 747 S N 0.367 116.005 115.700 -0.105 0.000 2.580 747 S HA 0.019 4.489 4.470 0.001 0.000 0.266 747 S C 0.380 174.987 174.600 0.010 0.000 1.354 747 S CA -0.405 57.778 58.200 -0.029 0.000 1.008 747 S CB 0.338 63.511 63.200 -0.045 0.000 0.898 747 S HN 0.201 nan 8.310 nan 0.000 0.555 748 E N 0.730 120.942 120.200 0.021 0.000 2.437 748 E HA -0.002 4.349 4.350 0.001 0.000 0.263 748 E C 1.214 177.814 176.600 -0.000 0.000 1.030 748 E CA -0.067 56.344 56.400 0.018 0.000 0.934 748 E CB 0.331 30.037 29.700 0.009 0.000 0.943 748 E HN 0.517 nan 8.360 nan 0.000 0.444 749 V N -1.028 118.884 119.914 -0.002 0.000 3.306 749 V HA 0.311 4.432 4.120 0.001 0.000 0.264 749 V C 0.572 176.657 176.094 -0.016 0.000 1.149 749 V CA 1.073 63.365 62.300 -0.013 0.000 1.143 749 V CB -0.530 31.287 31.823 -0.011 0.000 0.767 749 V HN 0.670 nan 8.190 nan 0.000 0.476 750 A N 0.000 122.813 122.820 -0.011 0.000 2.254 750 A HA 0.000 4.321 4.320 0.001 0.000 0.244 750 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 750 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486