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 3cmm_1_A DATA FIRST_RESID 12 DATA SEQUENCE GEIDESLYSR QLYVLGKEAM LKMQTSNVLI LGLKGLGVEI AKNVVLAGVK DATA SEQUENCE SMTVFDPEPV QLADLSTQFF LTEKDIGQKR GDVTRAKLAE LNAYVPVNVL DATA SEQUENCE DSLDDVTQLS QFQVVVATDT VSLEDKVKIN EFCHSSGIRF ISSETRGLFG DATA SEQUENCE NTFVDLGDEF TVLDPTGEEP RTGMVSDIEP DGTVTMLDDN RHGLEDGNFV DATA SEQUENCE RFSEVEGLDK LNDGTLFKVE VLGPFAFRIG SVKEYGEYKK GGIFTEVKVP DATA SEQUENCE RKISFKSLKQ QLSNPEFVFS DFAKFDRAAQ LHLGFQALHQ FAVRHNGELP DATA SEQUENCE RTMNDEDANE LIKLVTDLSV QQPEVLGEGV DVNEDLIKEL SYQARGDIPG DATA SEQUENCE VVAFFGGLVA QEVLKACSGK FTPLKQFMYF DSLESLPDPK NFPRNEKTTQ DATA SEQUENCE PVNSRYDNQI AVFGLDFQKK IANSKVFLVG SGAIGCEMLK NWALLGLGSG DATA SEQUENCE SDGYIVVTDN DSIEKSNLNR QFLFRPKDVG KNKSEVAAEA VCAMNPDLKG DATA SEQUENCE KINAKIDKVG PETEEIFNDS FWESLDFVTN ALDNVDARTY VDRRCVFYRK DATA SEQUENCE PLLESGTLGT KGNTQVIIPR LTESYSSSRD PPEKSIPLCT LRSFPNKIDH DATA SEQUENCE TIAWAKSLFQ GYFTDSAENV NMYLTQPNFV EQTLKXXXDV KGVLESISDS DATA SEQUENCE LSSKPHNFED CIKWARLEFE KKFNHDIKQL LFNFPKDAKT SNGEPFWSGA DATA SEQUENCE KRAPTPLEFD IYNNDHFHFV VAGASLRAYN YGIKSDDSNS KPNVDEYKSV DATA SEQUENCE IDHMIIPEFT PNANLKIQVN DDDPDPXXXX XXXXXEIDQL VSSLPDPSTL DATA SEQUENCE AGFKLEPVDF EKDDDTNHHI EFITACSNCR AQNYFIETAD RQKTKFIAGR DATA SEQUENCE IIPAIATTTS LVTGLVNLEL YKLIDNKTDI EQYKNGFVNL ALPFFGFSEP DATA SEQUENCE IASPKGEYNN KKYDKIWDRF DIKGDIKLSD LIEHFEKDEG LEITMLSYGV DATA SEQUENCE SLLYASFFPP KKLKERLNLP ITQLVKLVTK KDIPAHVSTM ILEICADDKE DATA SEQUENCE GEDVEVPFIT IHL 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 12 G HA2 0.000 nan 3.960 nan 0.000 0.244 12 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 12 G C 0.000 174.909 174.900 0.015 0.000 0.946 12 G CA 0.000 45.128 45.100 0.047 0.000 0.502 13 E N 1.690 121.887 120.200 -0.005 0.000 1.985 13 E HA 0.461 4.812 4.350 0.001 0.000 0.268 13 E C 0.834 177.406 176.600 -0.047 0.000 1.219 13 E CA -0.638 55.742 56.400 -0.033 0.000 0.942 13 E CB -0.226 29.454 29.700 -0.032 0.000 1.045 13 E HN 0.754 nan 8.360 nan 0.000 0.413 14 I N 1.210 121.736 120.570 -0.074 0.000 7.571 14 I HA -0.214 3.957 4.170 0.001 0.000 0.126 14 I C -0.441 175.676 176.117 -0.001 0.000 1.842 14 I CA 0.044 61.316 61.300 -0.048 0.000 2.038 14 I CB -0.494 37.460 38.000 -0.076 0.000 3.675 14 I HN 0.572 nan 8.210 nan 0.000 0.169 15 D N 7.033 127.429 120.400 -0.007 0.000 2.368 15 D HA 0.039 4.680 4.640 0.001 0.000 0.268 15 D C 1.251 177.556 176.300 0.009 0.000 1.298 15 D CA 0.428 54.420 54.000 -0.013 0.000 0.938 15 D CB 0.676 41.435 40.800 -0.068 0.000 1.101 15 D HN 0.552 nan 8.370 nan 0.000 0.509 16 E N 1.557 121.757 120.200 -0.001 0.000 2.208 16 E HA -0.144 4.207 4.350 0.001 0.000 0.193 16 E C 1.823 178.406 176.600 -0.028 0.000 0.988 16 E CA 0.925 57.315 56.400 -0.017 0.000 0.828 16 E CB 0.055 29.738 29.700 -0.028 0.000 0.763 16 E HN 0.571 nan 8.360 nan 0.000 0.478 17 S N 0.805 116.488 115.700 -0.027 0.000 2.453 17 S HA -0.100 4.371 4.470 0.001 0.000 0.231 17 S C 1.956 176.524 174.600 -0.055 0.000 1.005 17 S CA 0.528 58.711 58.200 -0.029 0.000 0.949 17 S CB -0.045 63.144 63.200 -0.019 0.000 0.774 17 S HN 0.176 nan 8.310 nan 0.000 0.510 18 L N -0.230 120.921 121.223 -0.120 0.000 2.200 18 L HA 0.400 4.741 4.340 0.001 0.000 0.200 18 L C 1.643 178.371 176.870 -0.237 0.000 1.072 18 L CA 1.199 55.897 54.840 -0.236 0.000 0.787 18 L CB -0.337 41.465 42.059 -0.427 0.000 0.957 18 L HN 0.290 nan 8.230 nan 0.000 0.459 19 Y N -1.098 119.174 120.300 -0.047 0.000 2.457 19 Y HA 0.130 4.681 4.550 0.002 0.000 0.263 19 Y C 2.442 178.271 175.900 -0.119 0.000 1.164 19 Y CA 0.328 58.383 58.100 -0.074 0.000 1.274 19 Y CB 0.083 38.479 38.460 -0.106 0.000 1.097 19 Y HN 0.251 nan 8.280 nan 0.000 0.523 20 S N 1.059 116.753 115.700 -0.011 0.000 2.402 20 S HA -0.347 4.124 4.470 0.001 0.000 0.281 20 S C 2.358 176.828 174.600 -0.217 0.000 1.097 20 S CA 2.217 60.339 58.200 -0.131 0.000 1.368 20 S CB -0.105 63.082 63.200 -0.022 0.000 1.255 20 S HN 0.425 nan 8.310 nan 0.000 0.450 21 R N 0.844 121.354 120.500 0.016 0.000 2.096 21 R HA -0.102 4.239 4.340 0.001 0.000 0.235 21 R C 2.606 178.973 176.300 0.112 0.000 1.127 21 R CA 1.812 58.010 56.100 0.162 0.000 0.968 21 R CB -1.151 29.260 30.300 0.184 0.000 0.861 21 R HN 0.805 nan 8.270 nan 0.000 0.440 22 Q N 0.716 120.557 119.800 0.070 0.000 2.119 22 Q HA -0.107 4.234 4.340 0.001 0.000 0.201 22 Q C 1.911 177.907 176.000 -0.007 0.000 0.972 22 Q CA 0.839 56.683 55.803 0.068 0.000 0.847 22 Q CB -0.058 28.745 28.738 0.108 0.000 0.903 22 Q HN 0.122 nan 8.270 nan 0.000 0.433 23 L N 0.298 121.457 121.223 -0.108 0.000 2.187 23 L HA -0.151 4.189 4.340 0.001 0.000 0.213 23 L C 1.349 178.094 176.870 -0.209 0.000 1.100 23 L CA 1.710 56.427 54.840 -0.205 0.000 0.765 23 L CB -0.524 41.359 42.059 -0.293 0.000 0.904 23 L HN 0.366 nan 8.230 nan 0.000 0.437 24 Y N -2.813 117.462 120.300 -0.040 0.000 2.475 24 Y HA -0.062 4.489 4.550 0.001 0.000 0.289 24 Y C 2.174 178.037 175.900 -0.062 0.000 1.121 24 Y CA 0.336 58.353 58.100 -0.138 0.000 1.257 24 Y CB -0.026 38.309 38.460 -0.209 0.000 1.026 24 Y HN -0.024 nan 8.280 nan 0.000 0.555 25 V N 0.188 120.190 119.914 0.146 0.000 2.283 25 V HA -0.112 4.009 4.120 0.001 0.000 0.239 25 V C 0.908 177.117 176.094 0.192 0.000 1.035 25 V CA 0.738 63.145 62.300 0.179 0.000 1.018 25 V CB -0.375 31.554 31.823 0.177 0.000 0.658 25 V HN 0.096 nan 8.190 nan 0.000 0.459 26 L N -0.019 121.257 121.223 0.088 0.000 2.421 26 L HA 0.570 4.911 4.340 0.001 0.000 0.263 26 L C 0.968 177.787 176.870 -0.086 0.000 1.122 26 L CA 0.003 54.818 54.840 -0.041 0.000 0.804 26 L CB 0.132 42.143 42.059 -0.080 0.000 1.150 26 L HN 0.275 nan 8.230 nan 0.000 0.457 27 G N -0.178 108.539 108.800 -0.138 0.000 2.588 27 G HA2 0.103 4.064 3.960 0.001 0.000 0.278 27 G HA3 0.103 4.064 3.960 0.001 0.000 0.278 27 G C 0.569 175.393 174.900 -0.126 0.000 1.307 27 G CA -0.376 44.655 45.100 -0.115 0.000 1.016 27 G HN 0.685 nan 8.290 nan 0.000 0.503 28 K N -0.326 120.008 120.400 -0.110 0.000 2.002 28 K HA -0.098 4.223 4.320 0.001 0.000 0.209 28 K C 2.281 178.811 176.600 -0.116 0.000 1.048 28 K CA 1.509 57.729 56.287 -0.112 0.000 0.930 28 K CB -0.257 32.191 32.500 -0.086 0.000 0.714 28 K HN 0.499 nan 8.250 nan 0.000 0.438 29 E N 0.535 120.672 120.200 -0.105 0.000 2.070 29 E HA -0.199 4.152 4.350 0.001 0.000 0.197 29 E C 1.962 178.488 176.600 -0.123 0.000 1.004 29 E CA 1.388 57.725 56.400 -0.105 0.000 0.805 29 E CB -0.391 29.251 29.700 -0.098 0.000 0.744 29 E HN 0.421 nan 8.360 nan 0.000 0.451 30 A N 0.900 123.633 122.820 -0.145 0.000 1.969 30 A HA -0.086 4.235 4.320 0.001 0.000 0.218 30 A C 2.264 179.756 177.584 -0.153 0.000 1.169 30 A CA 1.291 53.232 52.037 -0.160 0.000 0.635 30 A CB -0.401 18.472 19.000 -0.211 0.000 0.810 30 A HN 0.144 nan 8.150 nan 0.000 0.445 31 M N -0.681 118.818 119.600 -0.168 0.000 2.254 31 M HA 0.011 4.492 4.480 0.001 0.000 0.265 31 M C 1.968 178.161 176.300 -0.177 0.000 1.066 31 M CA 0.900 56.077 55.300 -0.204 0.000 1.123 31 M CB -0.385 32.054 32.600 -0.268 0.000 1.388 31 M HN 0.367 nan 8.290 nan 0.000 0.425 32 L N 0.026 121.164 121.223 -0.142 0.000 2.081 32 L HA -0.268 4.073 4.340 0.001 0.000 0.212 32 L C 2.377 179.190 176.870 -0.095 0.000 1.080 32 L CA 1.511 56.285 54.840 -0.110 0.000 0.754 32 L CB -0.601 41.404 42.059 -0.091 0.000 0.893 32 L HN 0.327 nan 8.230 nan 0.000 0.433 33 K N -0.613 119.727 120.400 -0.099 0.000 2.116 33 K HA -0.079 4.242 4.320 0.001 0.000 0.203 33 K C 2.167 178.725 176.600 -0.070 0.000 1.052 33 K CA 1.042 57.279 56.287 -0.082 0.000 0.952 33 K CB -0.021 32.426 32.500 -0.089 0.000 0.729 33 K HN 0.204 nan 8.250 nan 0.000 0.446 34 M N 0.448 119.996 119.600 -0.087 0.000 2.086 34 M HA -0.215 4.266 4.480 0.001 0.000 0.261 34 M C 2.077 178.338 176.300 -0.064 0.000 1.067 34 M CA 1.516 56.771 55.300 -0.075 0.000 1.116 34 M CB -0.119 32.416 32.600 -0.108 0.000 1.348 34 M HN -0.034 nan 8.290 nan 0.000 0.407 35 Q N 0.023 119.769 119.800 -0.091 0.000 2.443 35 Q HA -0.123 4.218 4.340 0.001 0.000 0.213 35 Q C 1.508 177.491 176.000 -0.028 0.000 0.982 35 Q CA 1.678 57.440 55.803 -0.068 0.000 0.894 35 Q CB -0.378 28.303 28.738 -0.095 0.000 0.947 35 Q HN 0.624 nan 8.270 nan 0.000 0.480 36 T N -4.214 110.323 114.554 -0.029 0.000 3.174 36 T HA 0.384 4.735 4.350 0.001 0.000 0.269 36 T C 0.138 174.837 174.700 -0.002 0.000 1.017 36 T CA -0.435 61.657 62.100 -0.014 0.000 0.899 36 T CB 0.386 69.239 68.868 -0.024 0.000 1.077 36 T HN -0.108 nan 8.240 nan 0.000 0.552 37 S N 1.980 117.685 115.700 0.008 0.000 2.475 37 S HA 0.538 5.008 4.470 0.001 0.000 0.298 37 S C -0.510 174.127 174.600 0.061 0.000 1.119 37 S CA -0.847 57.370 58.200 0.029 0.000 1.085 37 S CB 1.036 64.251 63.200 0.025 0.000 1.028 37 S HN 0.522 nan 8.310 nan 0.000 0.489 38 N N 0.886 119.643 118.700 0.095 0.000 2.421 38 N HA 0.543 5.284 4.740 0.001 0.000 0.285 38 N C -1.218 174.447 175.510 0.257 0.000 1.027 38 N CA -0.520 52.638 53.050 0.179 0.000 0.918 38 N CB 1.368 39.952 38.487 0.163 0.000 1.152 38 N HN 0.252 nan 8.380 nan 0.000 0.485 39 V N 2.685 122.727 119.914 0.213 0.000 2.555 39 V HA 0.402 4.523 4.120 0.001 0.000 0.302 39 V C -0.447 175.630 176.094 -0.029 0.000 1.038 39 V CA -0.845 61.512 62.300 0.095 0.000 0.887 39 V CB 1.821 33.668 31.823 0.039 0.000 0.991 39 V HN 0.533 nan 8.190 nan 0.000 0.434 40 L N 5.874 126.939 121.223 -0.263 0.000 2.325 40 L HA 0.639 4.980 4.340 0.001 0.000 0.281 40 L C -1.092 175.632 176.870 -0.243 0.000 1.004 40 L CA -0.385 54.156 54.840 -0.497 0.000 0.823 40 L CB 1.508 42.887 42.059 -1.134 0.000 1.236 40 L HN 0.609 nan 8.230 nan 0.000 0.415 41 I N 5.590 126.078 120.570 -0.138 0.000 2.377 41 I HA 0.329 4.500 4.170 0.001 0.000 0.293 41 I C -0.459 175.654 176.117 -0.007 0.000 0.987 41 I CA -0.568 60.691 61.300 -0.068 0.000 1.185 41 I CB 1.972 39.954 38.000 -0.029 0.000 1.341 41 I HN 0.442 nan 8.210 nan 0.000 0.455 42 L N 6.315 127.544 121.223 0.011 0.000 2.262 42 L HA 0.685 5.026 4.340 0.001 0.000 0.288 42 L C 0.327 177.270 176.870 0.121 0.000 1.035 42 L CA -0.442 54.471 54.840 0.122 0.000 0.820 42 L CB 1.093 43.200 42.059 0.079 0.000 1.204 42 L HN 0.888 nan 8.230 nan 0.000 0.424 43 G N 3.372 112.257 108.800 0.141 0.000 3.209 43 G HA2 -0.124 3.837 3.960 0.001 0.000 0.686 43 G HA3 -0.124 3.837 3.960 0.001 0.000 0.686 43 G C -1.117 173.799 174.900 0.027 0.000 1.065 43 G CA -0.986 44.155 45.100 0.068 0.000 0.812 43 G HN 0.424 nan 8.290 nan 0.000 0.573 44 L N 2.394 123.616 121.223 -0.002 0.000 2.892 44 L HA 0.393 4.734 4.340 0.001 0.000 0.251 44 L C 1.039 177.890 176.870 -0.032 0.000 1.339 44 L CA -0.152 54.679 54.840 -0.016 0.000 0.900 44 L CB 0.473 42.522 42.059 -0.016 0.000 1.246 44 L HN 0.613 nan 8.230 nan 0.000 0.524 45 K N -0.846 119.542 120.400 -0.019 0.000 2.760 45 K HA 0.457 4.778 4.320 0.001 0.000 0.285 45 K C 1.408 177.981 176.600 -0.045 0.000 1.016 45 K CA 0.058 56.331 56.287 -0.024 0.000 1.087 45 K CB 0.169 32.672 32.500 0.005 0.000 1.427 45 K HN 0.201 nan 8.250 nan 0.000 0.524 46 G N 1.054 109.839 108.800 -0.025 0.000 2.529 46 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 46 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 46 G C 1.335 176.235 174.900 0.001 0.000 1.177 46 G CA 1.157 46.243 45.100 -0.023 0.000 0.773 46 G HN 0.350 nan 8.290 nan 0.000 0.573 47 L N 1.611 122.857 121.223 0.038 0.000 2.046 47 L HA 0.145 4.486 4.340 0.001 0.000 0.208 47 L C 2.821 179.706 176.870 0.026 0.000 1.077 47 L CA 2.366 57.240 54.840 0.056 0.000 0.747 47 L CB -1.030 41.069 42.059 0.065 0.000 0.896 47 L HN 0.187 nan 8.230 nan 0.000 0.432 48 G N -1.546 107.257 108.800 0.004 0.000 2.402 48 G HA2 -0.203 3.758 3.960 0.001 0.000 0.216 48 G HA3 -0.203 3.758 3.960 0.001 0.000 0.216 48 G C 1.628 176.520 174.900 -0.013 0.000 1.162 48 G CA 0.862 45.960 45.100 -0.002 0.000 0.777 48 G HN 0.315 nan 8.290 nan 0.000 0.539 49 V N 0.042 119.918 119.914 -0.063 0.000 2.667 49 V HA -0.020 4.101 4.120 0.001 0.000 0.252 49 V C 2.670 178.742 176.094 -0.037 0.000 1.065 49 V CA 1.792 64.027 62.300 -0.107 0.000 1.083 49 V CB -0.000 31.633 31.823 -0.317 0.000 0.692 49 V HN 0.260 nan 8.190 nan 0.000 0.468 50 E N 0.280 120.487 120.200 0.012 0.000 2.031 50 E HA -0.197 4.153 4.350 0.001 0.000 0.193 50 E C 2.092 178.710 176.600 0.029 0.000 0.994 50 E CA 2.053 58.507 56.400 0.089 0.000 0.800 50 E CB -0.330 29.425 29.700 0.091 0.000 0.752 50 E HN 0.643 nan 8.360 nan 0.000 0.447 51 I N 1.171 121.753 120.570 0.019 0.000 2.118 51 I HA -0.320 3.851 4.170 0.001 0.000 0.241 51 I C 2.557 178.682 176.117 0.014 0.000 1.070 51 I CA 1.432 62.735 61.300 0.005 0.000 1.327 51 I CB -0.419 37.579 38.000 -0.003 0.000 1.034 51 I HN 0.026 nan 8.210 nan 0.000 0.405 52 A N 0.707 123.546 122.820 0.031 0.000 1.883 52 A HA -0.297 4.024 4.320 0.001 0.000 0.217 52 A C 2.422 180.058 177.584 0.087 0.000 1.186 52 A CA 2.203 54.275 52.037 0.059 0.000 0.624 52 A CB -0.674 18.369 19.000 0.073 0.000 0.822 52 A HN 0.432 nan 8.150 nan 0.000 0.444 53 K N -0.476 119.982 120.400 0.097 0.000 2.009 53 K HA -0.236 4.085 4.320 0.001 0.000 0.210 53 K C 1.629 178.239 176.600 0.016 0.000 1.049 53 K CA 1.840 58.175 56.287 0.080 0.000 0.929 53 K CB -0.345 32.130 32.500 -0.042 0.000 0.714 53 K HN 0.430 nan 8.250 nan 0.000 0.440 54 N N 0.529 119.214 118.700 -0.025 0.000 2.244 54 N HA -0.113 4.628 4.740 0.001 0.000 0.183 54 N C 1.845 177.368 175.510 0.021 0.000 1.016 54 N CA 1.107 54.143 53.050 -0.022 0.000 0.866 54 N CB -0.128 38.333 38.487 -0.044 0.000 0.980 54 N HN 0.068 nan 8.380 nan 0.000 0.430 55 V N 0.470 120.403 119.914 0.031 0.000 2.407 55 V HA -0.081 4.040 4.120 0.001 0.000 0.245 55 V C 2.394 178.529 176.094 0.069 0.000 1.041 55 V CA 0.813 63.137 62.300 0.039 0.000 1.040 55 V CB -0.327 31.512 31.823 0.027 0.000 0.671 55 V HN 0.014 nan 8.190 nan 0.000 0.455 56 V N 0.009 119.977 119.914 0.091 0.000 2.407 56 V HA -0.246 3.875 4.120 0.001 0.000 0.248 56 V C 2.310 178.495 176.094 0.152 0.000 1.055 56 V CA 1.832 64.206 62.300 0.124 0.000 1.049 56 V CB -0.543 31.363 31.823 0.139 0.000 0.662 56 V HN 0.435 nan 8.190 nan 0.000 0.455 57 L N 0.067 121.373 121.223 0.139 0.000 2.093 57 L HA -0.124 4.216 4.340 0.001 0.000 0.208 57 L C 2.690 179.692 176.870 0.220 0.000 1.085 57 L CA 1.477 56.416 54.840 0.165 0.000 0.755 57 L CB -0.713 41.420 42.059 0.122 0.000 0.904 57 L HN 0.350 nan 8.230 nan 0.000 0.435 58 A N -0.198 122.711 122.820 0.148 0.000 1.972 58 A HA 0.084 4.405 4.320 0.001 0.000 0.219 58 A C 1.483 179.091 177.584 0.040 0.000 1.169 58 A CA 1.115 53.212 52.037 0.099 0.000 0.635 58 A CB -0.695 18.324 19.000 0.032 0.000 0.810 58 A HN 0.545 nan 8.150 nan 0.000 0.446 59 G N -0.626 108.239 108.800 0.108 0.000 2.871 59 G HA2 0.107 4.068 3.960 0.001 0.000 0.262 59 G HA3 0.107 4.068 3.960 0.001 0.000 0.262 59 G C 0.007 174.899 174.900 -0.013 0.000 1.126 59 G CA 0.106 45.265 45.100 0.098 0.000 1.130 59 G HN 1.612 nan 8.290 nan 0.000 0.549 60 V N -0.684 119.250 119.914 0.034 0.000 3.336 60 V HA 0.705 4.826 4.120 0.001 0.000 0.304 60 V C 1.970 178.094 176.094 0.051 0.000 1.073 60 V CA 0.506 62.820 62.300 0.023 0.000 1.074 60 V CB 1.143 32.990 31.823 0.039 0.000 1.161 60 V HN 0.646 nan 8.190 nan 0.000 0.460 61 K N 1.068 121.495 120.400 0.045 0.000 2.057 61 K HA -0.035 4.286 4.320 0.001 0.000 0.207 61 K C 0.706 177.356 176.600 0.083 0.000 1.049 61 K CA 1.624 57.946 56.287 0.058 0.000 0.931 61 K CB -0.154 32.371 32.500 0.040 0.000 0.714 61 K HN 1.248 nan 8.250 nan 0.000 0.440 62 S N -1.155 114.602 115.700 0.094 0.000 2.543 62 S HA 0.453 4.924 4.470 0.001 0.000 0.274 62 S C -1.372 173.305 174.600 0.128 0.000 1.149 62 S CA -1.162 57.105 58.200 0.112 0.000 0.866 62 S CB 1.163 64.431 63.200 0.113 0.000 1.111 62 S HN 0.137 nan 8.310 nan 0.000 0.457 63 M N 2.673 122.346 119.600 0.121 0.000 2.181 63 M HA 0.674 5.155 4.480 0.001 0.000 0.323 63 M C -1.122 175.247 176.300 0.115 0.000 1.004 63 M CA 0.271 55.635 55.300 0.107 0.000 0.941 63 M CB 1.372 34.026 32.600 0.090 0.000 1.579 63 M HN 0.798 nan 8.290 nan 0.000 0.427 64 T N 3.731 118.347 114.554 0.104 0.000 2.885 64 T HA 0.838 5.189 4.350 0.001 0.000 0.285 64 T C -1.272 173.437 174.700 0.014 0.000 1.019 64 T CA -0.659 61.499 62.100 0.096 0.000 1.010 64 T CB 1.765 70.759 68.868 0.210 0.000 1.022 64 T HN 0.533 nan 8.240 nan 0.000 0.466 65 V N 2.745 122.696 119.914 0.060 0.000 2.760 65 V HA 0.628 4.748 4.120 0.001 0.000 0.309 65 V C -1.618 174.560 176.094 0.139 0.000 1.077 65 V CA -0.884 61.457 62.300 0.069 0.000 0.910 65 V CB 2.025 33.879 31.823 0.051 0.000 1.008 65 V HN 0.880 nan 8.190 nan 0.000 0.424 66 F N 4.575 124.504 119.950 -0.036 0.000 2.577 66 F HA 0.746 5.275 4.527 0.003 0.000 0.344 66 F C -0.770 175.022 175.800 -0.013 0.000 1.145 66 F CA -0.213 57.773 58.000 -0.023 0.000 0.996 66 F CB 1.251 40.230 39.000 -0.036 0.000 1.248 66 F HN 0.481 nan 8.300 nan 0.000 0.447 67 D N 8.249 128.370 120.400 -0.466 0.000 2.362 67 D HA 0.229 4.870 4.640 0.001 0.000 0.232 67 D C -2.377 173.693 176.300 -0.384 0.000 1.329 67 D CA -1.151 52.597 54.000 -0.420 0.000 0.944 67 D CB 1.914 42.619 40.800 -0.158 0.000 1.471 67 D HN 0.221 nan 8.370 nan 0.000 0.533 68 P HA 0.041 nan 4.420 nan 0.000 0.249 68 P C 0.088 177.288 177.300 -0.168 0.000 1.229 68 P CA 0.065 62.990 63.100 -0.292 0.000 0.788 68 P CB 0.559 32.074 31.700 -0.309 0.000 1.072 69 E N 2.314 122.423 120.200 -0.152 0.000 2.413 69 E HA 0.114 4.465 4.350 0.001 0.000 0.263 69 E C -2.050 174.513 176.600 -0.062 0.000 1.015 69 E CA -1.690 54.661 56.400 -0.082 0.000 0.916 69 E CB -0.102 29.562 29.700 -0.060 0.000 0.947 69 E HN 0.285 nan 8.360 nan 0.000 0.440 70 P HA 0.071 nan 4.420 nan 0.000 0.280 70 P C -0.132 177.154 177.300 -0.024 0.000 1.244 70 P CA -0.380 62.702 63.100 -0.031 0.000 0.784 70 P CB 0.676 32.364 31.700 -0.021 0.000 0.913 71 V N 4.008 123.909 119.914 -0.022 0.000 2.493 71 V HA -0.032 4.089 4.120 0.001 0.000 0.292 71 V C 0.941 177.029 176.094 -0.010 0.000 1.016 71 V CA 0.795 63.086 62.300 -0.016 0.000 1.097 71 V CB -0.678 31.137 31.823 -0.013 0.000 0.947 71 V HN 0.588 nan 8.190 nan 0.000 0.479 72 Q N 2.191 121.986 119.800 -0.008 0.000 2.297 72 Q HA 0.398 4.739 4.340 0.001 0.000 0.268 72 Q C 0.730 176.726 176.000 -0.007 0.000 1.045 72 Q CA -0.875 54.925 55.803 -0.005 0.000 0.861 72 Q CB 1.674 30.411 28.738 -0.002 0.000 1.344 72 Q HN 0.599 nan 8.270 nan 0.000 0.452 73 L N 2.105 123.323 121.223 -0.007 0.000 2.013 73 L HA -0.175 4.166 4.340 0.001 0.000 0.212 73 L C 1.726 178.584 176.870 -0.019 0.000 1.073 73 L CA 2.776 57.607 54.840 -0.016 0.000 0.753 73 L CB -0.910 41.141 42.059 -0.015 0.000 0.890 73 L HN 0.857 nan 8.230 nan 0.000 0.432 74 A N -1.107 121.709 122.820 -0.006 0.000 2.070 74 A HA -0.193 4.128 4.320 0.001 0.000 0.220 74 A C 1.830 179.419 177.584 0.008 0.000 1.159 74 A CA 1.559 53.598 52.037 0.003 0.000 0.656 74 A CB -0.793 18.216 19.000 0.015 0.000 0.800 74 A HN 0.591 nan 8.150 nan 0.000 0.453 75 D N -0.009 120.393 120.400 0.002 0.000 2.178 75 D HA -0.114 4.527 4.640 0.001 0.000 0.201 75 D C 1.242 177.543 176.300 0.002 0.000 0.980 75 D CA 0.816 54.818 54.000 0.003 0.000 0.842 75 D CB -0.306 40.491 40.800 -0.006 0.000 0.948 75 D HN 0.348 nan 8.370 nan 0.000 0.472 76 L N 0.708 121.927 121.223 -0.007 0.000 2.633 76 L HA -0.031 4.309 4.340 0.001 0.000 0.235 76 L C 2.211 179.088 176.870 0.012 0.000 1.163 76 L CA 0.613 55.449 54.840 -0.007 0.000 0.859 76 L CB -0.807 41.231 42.059 -0.035 0.000 0.973 76 L HN -0.099 nan 8.230 nan 0.000 0.451 77 S N -0.663 115.058 115.700 0.034 0.000 2.399 77 S HA -0.146 4.325 4.470 0.001 0.000 0.231 77 S C 1.726 176.408 174.600 0.136 0.000 1.022 77 S CA 1.916 60.171 58.200 0.091 0.000 0.983 77 S CB -0.014 63.252 63.200 0.110 0.000 0.803 77 S HN 0.647 nan 8.310 nan 0.000 0.480 78 T N -3.074 111.543 114.554 0.106 0.000 3.186 78 T HA 0.296 4.647 4.350 0.001 0.000 0.292 78 T C 0.223 174.958 174.700 0.059 0.000 0.915 78 T CA -0.378 61.801 62.100 0.132 0.000 0.902 78 T CB 0.013 68.966 68.868 0.143 0.000 1.192 78 T HN 0.083 nan 8.240 nan 0.000 0.563 79 Q N 1.959 121.747 119.800 -0.019 0.000 2.553 79 Q HA 0.271 4.612 4.340 0.001 0.000 0.221 79 Q C 0.263 176.170 176.000 -0.154 0.000 1.219 79 Q CA -0.471 55.224 55.803 -0.179 0.000 0.955 79 Q CB 0.090 28.755 28.738 -0.121 0.000 1.399 79 Q HN 0.719 nan 8.270 nan 0.000 0.551 80 F N -0.409 119.541 119.950 -0.001 0.000 2.641 80 F HA 0.032 4.560 4.527 0.002 0.000 0.298 80 F C 0.746 176.601 175.800 0.092 0.000 1.146 80 F CA 0.325 58.326 58.000 0.002 0.000 1.464 80 F CB -0.392 38.570 39.000 -0.064 0.000 1.101 80 F HN 0.312 nan 8.300 nan 0.000 0.585 81 F N 0.861 120.730 119.950 -0.134 0.000 2.664 81 F HA 0.363 4.891 4.527 0.001 0.000 0.303 81 F C 0.455 176.249 175.800 -0.010 0.000 1.092 81 F CA -0.547 57.457 58.000 0.007 0.000 1.305 81 F CB 0.410 39.368 39.000 -0.070 0.000 1.054 81 F HN -0.129 nan 8.300 nan 0.000 0.565 82 L N 0.217 121.527 121.223 0.144 0.000 2.334 82 L HA 0.534 4.875 4.340 0.001 0.000 0.272 82 L C 0.286 177.206 176.870 0.083 0.000 1.020 82 L CA -0.625 54.264 54.840 0.081 0.000 0.812 82 L CB 1.835 43.911 42.059 0.028 0.000 1.264 82 L HN -0.081 nan 8.230 nan 0.000 0.439 83 T N -3.082 111.506 114.554 0.057 0.000 2.887 83 T HA 0.318 4.669 4.350 0.001 0.000 0.292 83 T C 0.538 175.252 174.700 0.024 0.000 1.087 83 T CA -0.700 61.428 62.100 0.048 0.000 1.009 83 T CB 1.844 70.745 68.868 0.055 0.000 1.203 83 T HN 0.521 nan 8.240 nan 0.000 0.518 84 E N 0.359 120.569 120.200 0.016 0.000 2.171 84 E HA -0.099 4.252 4.350 0.001 0.000 0.197 84 E C 1.868 178.474 176.600 0.009 0.000 0.997 84 E CA 1.188 57.592 56.400 0.007 0.000 0.810 84 E CB -0.115 29.588 29.700 0.006 0.000 0.738 84 E HN 0.458 nan 8.360 nan 0.000 0.467 85 K N 0.685 121.093 120.400 0.014 0.000 2.148 85 K HA -0.089 4.232 4.320 0.001 0.000 0.204 85 K C 1.185 177.790 176.600 0.008 0.000 1.050 85 K CA 0.973 57.267 56.287 0.012 0.000 0.942 85 K CB -0.154 32.354 32.500 0.014 0.000 0.724 85 K HN 0.246 nan 8.250 nan 0.000 0.446 86 D N 0.980 121.385 120.400 0.009 0.000 2.269 86 D HA -0.024 4.617 4.640 0.001 0.000 0.208 86 D C 0.807 177.106 176.300 -0.001 0.000 0.963 86 D CA 0.151 54.153 54.000 0.004 0.000 0.864 86 D CB -0.084 40.721 40.800 0.007 0.000 0.936 86 D HN 0.166 nan 8.370 nan 0.000 0.505 87 I N 0.718 121.287 120.570 -0.001 0.000 2.996 87 I HA -0.145 4.025 4.170 0.001 0.000 0.310 87 I C 1.835 177.949 176.117 -0.005 0.000 1.225 87 I CA 1.271 62.569 61.300 -0.003 0.000 1.442 87 I CB 0.193 38.191 38.000 -0.002 0.000 1.334 87 I HN 0.234 nan 8.210 nan 0.000 0.550 88 G N 3.665 112.460 108.800 -0.008 0.000 2.284 88 G HA2 -0.269 3.692 3.960 0.001 0.000 0.230 88 G HA3 -0.269 3.692 3.960 0.001 0.000 0.230 88 G C 0.272 175.164 174.900 -0.013 0.000 1.021 88 G CA -0.223 44.872 45.100 -0.009 0.000 0.619 88 G HN 0.566 nan 8.290 nan 0.000 0.510 89 Q N 0.811 120.603 119.800 -0.014 0.000 2.368 89 Q HA 0.608 4.949 4.340 0.001 0.000 0.237 89 Q C 0.346 176.329 176.000 -0.028 0.000 0.987 89 Q CA 0.007 55.798 55.803 -0.019 0.000 0.896 89 Q CB 0.460 29.188 28.738 -0.016 0.000 1.241 89 Q HN 0.370 nan 8.270 nan 0.000 0.485 90 K N 1.574 121.952 120.400 -0.037 0.000 2.412 90 K HA 0.034 4.355 4.320 0.001 0.000 0.284 90 K C 0.823 177.390 176.600 -0.055 0.000 1.046 90 K CA 0.123 56.376 56.287 -0.056 0.000 0.999 90 K CB 0.521 32.980 32.500 -0.068 0.000 0.941 90 K HN 0.453 nan 8.250 nan 0.000 0.474 91 R N 1.916 122.380 120.500 -0.061 0.000 2.113 91 R HA -0.221 4.120 4.340 0.001 0.000 0.244 91 R C 2.118 178.389 176.300 -0.048 0.000 1.142 91 R CA 1.932 58.002 56.100 -0.050 0.000 0.953 91 R CB -0.514 29.755 30.300 -0.053 0.000 0.860 91 R HN 0.939 nan 8.270 nan 0.000 0.438 92 G N 1.368 110.125 108.800 -0.071 0.000 2.491 92 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 92 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 92 G C 0.909 175.788 174.900 -0.035 0.000 1.180 92 G CA 1.200 46.267 45.100 -0.055 0.000 0.774 92 G HN 0.248 nan 8.290 nan 0.000 0.562 93 D N -0.035 120.341 120.400 -0.040 0.000 2.158 93 D HA -0.097 4.544 4.640 0.001 0.000 0.197 93 D C 2.664 178.947 176.300 -0.029 0.000 0.995 93 D CA 0.834 54.817 54.000 -0.028 0.000 0.846 93 D CB -0.334 40.450 40.800 -0.027 0.000 0.941 93 D HN 0.224 nan 8.370 nan 0.000 0.456 94 V N 0.492 120.388 119.914 -0.030 0.000 2.788 94 V HA -0.112 4.009 4.120 0.001 0.000 0.251 94 V C 2.248 178.315 176.094 -0.045 0.000 1.068 94 V CA 1.536 63.817 62.300 -0.031 0.000 1.090 94 V CB -0.145 31.667 31.823 -0.019 0.000 0.710 94 V HN 0.216 nan 8.190 nan 0.000 0.467 95 T N -0.947 113.587 114.554 -0.034 0.000 2.894 95 T HA -0.061 4.290 4.350 0.001 0.000 0.258 95 T C 2.018 176.674 174.700 -0.073 0.000 1.043 95 T CA 0.600 62.678 62.100 -0.037 0.000 1.141 95 T CB -0.177 68.707 68.868 0.027 0.000 0.873 95 T HN 0.232 nan 8.240 nan 0.000 0.449 96 R N 1.237 121.716 120.500 -0.035 0.000 2.162 96 R HA -0.263 4.078 4.340 0.001 0.000 0.245 96 R C 2.546 178.813 176.300 -0.054 0.000 1.129 96 R CA 2.124 58.210 56.100 -0.023 0.000 0.940 96 R CB -0.729 29.566 30.300 -0.008 0.000 0.875 96 R HN 0.423 nan 8.270 nan 0.000 0.437 97 A N 0.894 123.668 122.820 -0.077 0.000 1.933 97 A HA -0.155 4.165 4.320 0.001 0.000 0.218 97 A C 2.037 179.526 177.584 -0.159 0.000 1.175 97 A CA 1.476 53.459 52.037 -0.089 0.000 0.628 97 A CB -0.264 18.691 19.000 -0.076 0.000 0.814 97 A HN 0.278 nan 8.150 nan 0.000 0.444 98 K N -0.404 119.816 120.400 -0.300 0.000 2.062 98 K HA 0.053 4.374 4.320 0.001 0.000 0.205 98 K C 1.938 178.225 176.600 -0.522 0.000 1.051 98 K CA 0.935 56.851 56.287 -0.618 0.000 0.941 98 K CB -0.465 31.278 32.500 -1.263 0.000 0.719 98 K HN 0.500 nan 8.250 nan 0.000 0.440 99 L N 0.856 121.915 121.223 -0.274 0.000 2.046 99 L HA -0.146 4.195 4.340 0.001 0.000 0.208 99 L C 2.535 179.433 176.870 0.047 0.000 1.077 99 L CA 1.124 55.992 54.840 0.046 0.000 0.747 99 L CB -0.631 41.493 42.059 0.108 0.000 0.896 99 L HN 0.127 nan 8.230 nan 0.000 0.432 100 A N -0.404 122.414 122.820 -0.002 0.000 2.131 100 A HA -0.211 4.110 4.320 0.001 0.000 0.220 100 A C 2.033 179.628 177.584 0.018 0.000 1.158 100 A CA 1.525 53.571 52.037 0.015 0.000 0.665 100 A CB -0.410 18.588 19.000 -0.002 0.000 0.795 100 A HN 0.498 nan 8.150 nan 0.000 0.460 101 E N -0.710 119.492 120.200 0.003 0.000 2.478 101 E HA 0.116 4.467 4.350 0.001 0.000 0.194 101 E C 1.461 178.106 176.600 0.076 0.000 1.045 101 E CA -0.036 56.377 56.400 0.022 0.000 0.868 101 E CB -0.031 29.666 29.700 -0.004 0.000 0.885 101 E HN 0.632 nan 8.360 nan 0.000 0.505 102 L N 0.438 121.733 121.223 0.120 0.000 2.240 102 L HA 0.017 4.358 4.340 0.001 0.000 0.211 102 L C 0.762 177.716 176.870 0.140 0.000 1.106 102 L CA 0.466 55.410 54.840 0.173 0.000 0.793 102 L CB 0.242 42.443 42.059 0.238 0.000 0.927 102 L HN 0.046 nan 8.230 nan 0.000 0.446 103 N N -1.034 117.738 118.700 0.121 0.000 2.875 103 N HA 0.189 4.930 4.740 0.001 0.000 0.253 103 N C 0.285 175.859 175.510 0.106 0.000 1.296 103 N CA 0.291 53.422 53.050 0.135 0.000 0.816 103 N CB 1.354 39.957 38.487 0.192 0.000 1.504 103 N HN -0.017 nan 8.380 nan 0.000 0.582 104 A N 2.359 125.195 122.820 0.025 0.000 2.032 104 A HA -0.167 4.154 4.320 0.001 0.000 0.221 104 A C 1.155 178.683 177.584 -0.094 0.000 1.165 104 A CA 1.340 53.331 52.037 -0.076 0.000 0.645 104 A CB -0.634 18.254 19.000 -0.185 0.000 0.807 104 A HN 0.724 nan 8.150 nan 0.000 0.453 105 Y N -0.982 119.353 120.300 0.057 0.000 2.509 105 Y HA 0.078 4.629 4.550 0.001 0.000 0.293 105 Y C 0.419 176.368 175.900 0.082 0.000 1.133 105 Y CA 0.491 58.638 58.100 0.078 0.000 1.283 105 Y CB 0.276 38.812 38.460 0.127 0.000 1.001 105 Y HN 0.043 nan 8.280 nan 0.000 0.555 106 V N 2.684 122.728 119.914 0.216 0.000 2.313 106 V HA 0.264 4.384 4.120 0.001 0.000 0.278 106 V C -2.321 173.839 176.094 0.110 0.000 1.017 106 V CA -2.412 59.984 62.300 0.161 0.000 0.823 106 V CB 0.816 32.735 31.823 0.160 0.000 1.010 106 V HN -0.091 nan 8.190 nan 0.000 0.443 107 P HA 0.251 nan 4.420 nan 0.000 0.271 107 P C -0.779 176.569 177.300 0.079 0.000 1.218 107 P CA -0.060 63.084 63.100 0.072 0.000 0.780 107 P CB 0.841 32.581 31.700 0.067 0.000 0.901 108 V N 3.518 123.472 119.914 0.066 0.000 2.443 108 V HA 0.334 4.455 4.120 0.001 0.000 0.293 108 V C -0.155 175.977 176.094 0.063 0.000 1.021 108 V CA -0.485 61.856 62.300 0.070 0.000 0.848 108 V CB 1.224 33.083 31.823 0.060 0.000 0.998 108 V HN 0.502 nan 8.190 nan 0.000 0.424 109 N N 2.434 121.183 118.700 0.082 0.000 2.404 109 N HA 0.742 5.483 4.740 0.001 0.000 0.297 109 N C -1.088 174.473 175.510 0.085 0.000 1.163 109 N CA -0.694 52.406 53.050 0.084 0.000 0.864 109 N CB 2.573 41.127 38.487 0.112 0.000 1.247 109 N HN 0.405 nan 8.380 nan 0.000 0.510 110 V N 1.907 121.867 119.914 0.077 0.000 2.435 110 V HA 0.340 4.461 4.120 0.001 0.000 0.290 110 V C -0.633 175.532 176.094 0.118 0.000 1.030 110 V CA -0.665 61.681 62.300 0.078 0.000 0.881 110 V CB 1.388 33.235 31.823 0.039 0.000 0.983 110 V HN 0.432 nan 8.190 nan 0.000 0.445 111 L N 3.929 125.257 121.223 0.175 0.000 2.289 111 L HA 0.509 4.850 4.340 0.001 0.000 0.285 111 L C 0.857 177.898 176.870 0.286 0.000 1.049 111 L CA 0.448 55.436 54.840 0.247 0.000 0.804 111 L CB 1.399 43.637 42.059 0.298 0.000 1.195 111 L HN 0.603 nan 8.230 nan 0.000 0.428 112 D N 0.497 121.030 120.400 0.221 0.000 2.262 112 D HA 0.067 4.707 4.640 0.001 0.000 0.212 112 D C 0.430 176.883 176.300 0.254 0.000 0.964 112 D CA 0.832 54.925 54.000 0.155 0.000 0.875 112 D CB 0.476 41.331 40.800 0.090 0.000 0.996 112 D HN 0.570 nan 8.370 nan 0.000 0.497 113 S N -0.903 114.985 115.700 0.313 0.000 2.704 113 S HA 0.471 4.942 4.470 0.001 0.000 0.296 113 S C -0.055 174.654 174.600 0.183 0.000 1.138 113 S CA -0.665 57.734 58.200 0.332 0.000 0.875 113 S CB 1.896 65.187 63.200 0.152 0.000 1.151 113 S HN -0.068 nan 8.310 nan 0.000 0.500 114 L N 0.658 121.886 121.223 0.008 0.000 2.731 114 L HA 0.416 4.757 4.340 0.001 0.000 0.240 114 L C -0.786 176.005 176.870 -0.132 0.000 1.120 114 L CA 0.265 54.970 54.840 -0.226 0.000 0.913 114 L CB 0.056 41.824 42.059 -0.485 0.000 1.213 114 L HN 0.693 nan 8.230 nan 0.000 0.515 115 D N 1.809 122.176 120.400 -0.056 0.000 2.374 115 D HA 0.336 4.977 4.640 0.001 0.000 0.240 115 D C -0.161 176.109 176.300 -0.051 0.000 1.229 115 D CA 0.224 54.188 54.000 -0.060 0.000 0.895 115 D CB 0.616 41.399 40.800 -0.029 0.000 1.046 115 D HN 0.211 nan 8.370 nan 0.000 0.498 116 D N 0.461 120.810 120.400 -0.085 0.000 2.993 116 D HA -0.040 4.600 4.640 0.001 0.000 0.284 116 D C -0.903 175.331 176.300 -0.109 0.000 1.172 116 D CA -0.520 53.443 54.000 -0.062 0.000 0.729 116 D CB 0.880 41.669 40.800 -0.019 0.000 1.270 116 D HN 0.048 nan 8.370 nan 0.000 0.436 117 V N 0.558 120.437 119.914 -0.059 0.000 3.251 117 V HA 0.033 4.154 4.120 0.001 0.000 0.239 117 V C 2.313 178.447 176.094 0.067 0.000 1.332 117 V CA 1.296 63.571 62.300 -0.041 0.000 1.224 117 V CB 0.028 31.852 31.823 0.002 0.000 1.004 117 V HN 0.759 nan 8.190 nan 0.000 0.464 118 T N 0.392 114.968 114.554 0.038 0.000 2.720 118 T HA -0.281 4.070 4.350 0.001 0.000 0.268 118 T C 1.800 176.502 174.700 0.003 0.000 1.037 118 T CA 2.107 64.223 62.100 0.027 0.000 1.144 118 T CB -0.212 68.662 68.868 0.010 0.000 0.864 118 T HN 0.478 nan 8.240 nan 0.000 0.444 119 Q N 0.817 120.623 119.800 0.010 0.000 1.942 119 Q HA 0.020 4.360 4.340 0.001 0.000 0.203 119 Q C 2.480 178.493 176.000 0.021 0.000 0.987 119 Q CA 1.348 57.145 55.803 -0.009 0.000 0.844 119 Q CB -0.615 28.182 28.738 0.098 0.000 0.911 119 Q HN 0.394 nan 8.270 nan 0.000 0.423 120 L N 0.847 122.189 121.223 0.199 0.000 2.064 120 L HA -0.280 4.061 4.340 0.001 0.000 0.216 120 L C 2.454 179.575 176.870 0.418 0.000 1.077 120 L CA 1.552 56.628 54.840 0.392 0.000 0.766 120 L CB -0.846 41.339 42.059 0.209 0.000 0.890 120 L HN 0.356 nan 8.230 nan 0.000 0.435 121 S N -1.699 114.165 115.700 0.273 0.000 2.561 121 S HA -0.106 4.365 4.470 0.001 0.000 0.225 121 S C 1.637 176.254 174.600 0.028 0.000 0.977 121 S CA 0.292 58.604 58.200 0.187 0.000 0.926 121 S CB -0.021 63.280 63.200 0.168 0.000 0.769 121 S HN 0.503 nan 8.310 nan 0.000 0.533 122 Q N -0.199 119.530 119.800 -0.120 0.000 2.398 122 Q HA 0.266 4.607 4.340 0.001 0.000 0.204 122 Q C -0.597 175.232 176.000 -0.285 0.000 0.932 122 Q CA 0.227 55.874 55.803 -0.259 0.000 0.916 122 Q CB 0.074 28.572 28.738 -0.399 0.000 1.024 122 Q HN 0.619 nan 8.270 nan 0.000 0.504 123 F N 0.273 120.252 119.950 0.048 0.000 2.399 123 F HA 0.075 4.602 4.527 0.000 0.000 0.342 123 F C 1.284 177.100 175.800 0.026 0.000 1.106 123 F CA -0.529 57.495 58.000 0.039 0.000 1.196 123 F CB 0.985 40.015 39.000 0.050 0.000 1.163 123 F HN -0.166 nan 8.300 nan 0.000 0.547 124 Q N 0.976 120.899 119.800 0.205 0.000 2.250 124 Q HA 0.157 4.498 4.340 0.001 0.000 0.200 124 Q C -0.481 175.573 176.000 0.089 0.000 0.941 124 Q CA 0.692 56.559 55.803 0.107 0.000 0.872 124 Q CB 0.424 29.203 28.738 0.068 0.000 0.965 124 Q HN 0.413 nan 8.270 nan 0.000 0.480 125 V N 0.122 120.094 119.914 0.097 0.000 2.709 125 V HA 0.538 4.658 4.120 0.001 0.000 0.308 125 V C -0.902 175.195 176.094 0.005 0.000 1.062 125 V CA -1.000 61.316 62.300 0.028 0.000 0.901 125 V CB 2.300 34.111 31.823 -0.020 0.000 1.003 125 V HN -0.241 nan 8.190 nan 0.000 0.425 126 V N 4.271 124.173 119.914 -0.021 0.000 2.531 126 V HA 0.561 4.682 4.120 0.001 0.000 0.301 126 V C -0.501 175.472 176.094 -0.203 0.000 1.034 126 V CA -0.617 61.640 62.300 -0.071 0.000 0.865 126 V CB 2.097 33.959 31.823 0.065 0.000 0.995 126 V HN 0.635 nan 8.190 nan 0.000 0.424 127 V N 3.805 123.589 119.914 -0.216 0.000 2.378 127 V HA 0.775 4.896 4.120 0.001 0.000 0.288 127 V C 0.369 176.331 176.094 -0.219 0.000 1.016 127 V CA -0.548 61.584 62.300 -0.280 0.000 0.840 127 V CB 1.581 33.300 31.823 -0.174 0.000 0.994 127 V HN 0.981 nan 8.190 nan 0.000 0.431 128 A N 3.727 126.368 122.820 -0.300 0.000 2.292 128 A HA 0.807 5.128 4.320 0.001 0.000 0.319 128 A C 0.152 177.705 177.584 -0.051 0.000 1.206 128 A CA -0.248 51.733 52.037 -0.094 0.000 0.835 128 A CB 1.176 20.200 19.000 0.040 0.000 1.164 128 A HN 0.697 nan 8.150 nan 0.000 0.505 129 T N -0.004 114.558 114.554 0.014 0.000 2.870 129 T HA 0.271 4.622 4.350 0.001 0.000 0.277 129 T C 1.263 176.003 174.700 0.066 0.000 1.000 129 T CA 0.314 62.430 62.100 0.026 0.000 0.982 129 T CB 0.798 69.680 68.868 0.023 0.000 1.249 129 T HN 0.802 nan 8.240 nan 0.000 0.589 130 D N 0.248 120.689 120.400 0.068 0.000 2.265 130 D HA -0.146 4.495 4.640 0.001 0.000 0.208 130 D C 1.628 177.992 176.300 0.107 0.000 0.977 130 D CA 1.709 55.767 54.000 0.097 0.000 0.871 130 D CB -0.601 40.248 40.800 0.082 0.000 0.925 130 D HN 0.640 nan 8.370 nan 0.000 0.485 131 T N -1.637 112.971 114.554 0.089 0.000 3.085 131 T HA 0.116 4.467 4.350 0.001 0.000 0.263 131 T C 1.024 175.793 174.700 0.114 0.000 1.127 131 T CA -0.167 61.987 62.100 0.090 0.000 1.103 131 T CB -0.156 68.755 68.868 0.072 0.000 0.921 131 T HN -0.032 nan 8.240 nan 0.000 0.510 132 V N 3.327 123.315 119.914 0.123 0.000 2.407 132 V HA 0.493 4.614 4.120 0.001 0.000 0.278 132 V C 0.729 176.896 176.094 0.121 0.000 1.037 132 V CA -1.022 61.352 62.300 0.123 0.000 0.900 132 V CB 1.184 33.078 31.823 0.119 0.000 0.983 132 V HN 0.642 nan 8.190 nan 0.000 0.459 133 S N 4.722 120.482 115.700 0.101 0.000 2.600 133 S HA 0.216 4.687 4.470 0.001 0.000 0.265 133 S C 0.940 175.480 174.600 -0.100 0.000 1.325 133 S CA -0.313 57.930 58.200 0.073 0.000 1.002 133 S CB 0.876 64.133 63.200 0.095 0.000 0.921 133 S HN 0.596 nan 8.310 nan 0.000 0.554 134 L N 1.193 122.158 121.223 -0.431 0.000 2.083 134 L HA 0.000 4.341 4.340 0.001 0.000 0.209 134 L C 2.588 179.350 176.870 -0.180 0.000 1.083 134 L CA 2.272 56.834 54.840 -0.463 0.000 0.752 134 L CB -1.183 40.406 42.059 -0.782 0.000 0.899 134 L HN 1.036 nan 8.230 nan 0.000 0.433 135 E N -0.616 119.519 120.200 -0.108 0.000 2.049 135 E HA -0.299 4.052 4.350 0.001 0.000 0.198 135 E C 1.646 178.223 176.600 -0.038 0.000 1.007 135 E CA 1.946 58.316 56.400 -0.050 0.000 0.809 135 E CB -0.108 29.582 29.700 -0.016 0.000 0.749 135 E HN 0.532 nan 8.360 nan 0.000 0.450 136 D N -0.021 120.369 120.400 -0.017 0.000 2.178 136 D HA -0.080 4.561 4.640 0.001 0.000 0.202 136 D C 1.811 178.119 176.300 0.012 0.000 0.974 136 D CA 0.833 54.835 54.000 0.002 0.000 0.841 136 D CB -0.023 40.794 40.800 0.028 0.000 0.953 136 D HN 0.118 nan 8.370 nan 0.000 0.478 137 K N -0.076 120.338 120.400 0.023 0.000 2.063 137 K HA -0.097 4.224 4.320 0.001 0.000 0.208 137 K C 1.969 178.530 176.600 -0.065 0.000 1.048 137 K CA 0.658 56.992 56.287 0.078 0.000 0.928 137 K CB -0.040 32.521 32.500 0.103 0.000 0.713 137 K HN -0.006 nan 8.250 nan 0.000 0.442 138 V N 1.505 121.363 119.914 -0.094 0.000 2.427 138 V HA -0.240 3.881 4.120 0.001 0.000 0.248 138 V C 1.841 177.856 176.094 -0.131 0.000 1.051 138 V CA 1.682 63.899 62.300 -0.138 0.000 1.048 138 V CB -0.298 31.465 31.823 -0.099 0.000 0.666 138 V HN 0.305 nan 8.190 nan 0.000 0.456 139 K N -0.190 120.163 120.400 -0.078 0.000 2.103 139 K HA -0.006 4.315 4.320 0.001 0.000 0.204 139 K C 2.006 178.588 176.600 -0.030 0.000 1.052 139 K CA 1.320 57.580 56.287 -0.045 0.000 0.945 139 K CB -0.178 32.304 32.500 -0.030 0.000 0.722 139 K HN 0.372 nan 8.250 nan 0.000 0.443 140 I N 1.755 122.298 120.570 -0.045 0.000 2.333 140 I HA -0.237 3.934 4.170 0.001 0.000 0.246 140 I C 2.455 178.511 176.117 -0.100 0.000 1.106 140 I CA 0.748 62.063 61.300 0.025 0.000 1.411 140 I CB -0.321 37.756 38.000 0.129 0.000 1.082 140 I HN 0.279 nan 8.210 nan 0.000 0.420 141 N N 1.170 119.537 118.700 -0.555 0.000 2.149 141 N HA -0.284 4.457 4.740 0.001 0.000 0.188 141 N C 1.862 177.200 175.510 -0.287 0.000 1.019 141 N CA 1.726 54.233 53.050 -0.905 0.000 0.857 141 N CB 0.070 37.782 38.487 -1.292 0.000 0.997 141 N HN 0.290 nan 8.380 nan 0.000 0.426 142 E N 0.231 120.339 120.200 -0.154 0.000 2.106 142 E HA -0.156 4.195 4.350 0.001 0.000 0.192 142 E C 1.773 178.406 176.600 0.055 0.000 0.984 142 E CA 0.965 57.343 56.400 -0.037 0.000 0.806 142 E CB -0.637 29.050 29.700 -0.021 0.000 0.750 142 E HN 0.453 nan 8.360 nan 0.000 0.458 143 F N -0.136 119.786 119.950 -0.047 0.000 2.206 143 F HA -0.096 4.430 4.527 -0.002 0.000 0.298 143 F C 1.985 177.795 175.800 0.018 0.000 1.090 143 F CA 1.166 59.161 58.000 -0.007 0.000 1.323 143 F CB -0.537 38.459 39.000 -0.007 0.000 1.028 143 F HN 0.143 nan 8.300 nan 0.000 0.492 144 C N -0.247 119.023 119.300 -0.049 0.000 2.473 144 C HA -0.151 4.310 4.460 0.001 0.000 0.279 144 C C 2.634 177.562 174.990 -0.104 0.000 1.250 144 C CA 1.505 60.468 59.018 -0.091 0.000 1.713 144 C CB -1.543 26.263 27.740 0.111 0.000 2.066 144 C HN 0.643 nan 8.230 nan 0.000 0.474 145 H N 1.966 120.968 119.070 -0.113 0.000 2.265 145 H HA -0.182 4.375 4.556 0.002 0.000 0.293 145 H C 2.314 177.585 175.328 -0.094 0.000 1.089 145 H CA 2.690 58.691 56.048 -0.077 0.000 1.244 145 H CB -0.082 29.648 29.762 -0.053 0.000 1.355 145 H HN 0.558 nan 8.280 nan 0.000 0.485 146 S N -1.644 114.059 115.700 0.005 0.000 2.515 146 S HA -0.023 4.448 4.470 0.001 0.000 0.231 146 S C 1.973 176.476 174.600 -0.162 0.000 0.987 146 S CA 0.845 59.017 58.200 -0.046 0.000 0.936 146 S CB 0.177 63.372 63.200 -0.009 0.000 0.766 146 S HN 0.281 nan 8.310 nan 0.000 0.528 147 S N 0.328 115.859 115.700 -0.281 0.000 2.503 147 S HA 0.456 4.927 4.470 0.001 0.000 0.215 147 S C 1.365 175.841 174.600 -0.207 0.000 1.003 147 S CA 0.336 58.339 58.200 -0.329 0.000 0.910 147 S CB 0.205 63.022 63.200 -0.639 0.000 0.790 147 S HN 0.958 nan 8.310 nan 0.000 0.514 148 G N 1.706 110.395 108.800 -0.185 0.000 2.137 148 G HA2 -0.225 3.736 3.960 0.001 0.000 0.237 148 G HA3 -0.225 3.736 3.960 0.001 0.000 0.237 148 G C -0.083 174.760 174.900 -0.095 0.000 1.002 148 G CA -0.147 44.871 45.100 -0.137 0.000 0.702 148 G HN 0.479 nan 8.290 nan 0.000 0.515 149 I N 0.485 120.997 120.570 -0.096 0.000 2.336 149 I HA 0.444 4.615 4.170 0.001 0.000 0.292 149 I C 0.824 176.941 176.117 0.001 0.000 0.991 149 I CA -1.166 60.121 61.300 -0.022 0.000 1.227 149 I CB 1.077 39.086 38.000 0.014 0.000 1.366 149 I HN -0.048 nan 8.210 nan 0.000 0.466 150 R N 5.010 125.505 120.500 -0.008 0.000 2.537 150 R HA 0.277 4.618 4.340 0.001 0.000 0.280 150 R C -0.939 175.381 176.300 0.034 0.000 1.058 150 R CA 0.281 56.344 56.100 -0.062 0.000 1.057 150 R CB 0.132 30.357 30.300 -0.125 0.000 0.973 150 R HN 0.442 nan 8.270 nan 0.000 0.438 151 F N 3.505 123.365 119.950 -0.150 0.000 2.529 151 F HA 0.623 5.154 4.527 0.006 0.000 0.320 151 F C -1.081 174.646 175.800 -0.121 0.000 1.118 151 F CA -0.910 57.045 58.000 -0.075 0.000 0.915 151 F CB 1.075 40.085 39.000 0.017 0.000 1.161 151 F HN 0.335 nan 8.300 nan 0.000 0.445 152 I N 4.723 124.814 120.570 -0.797 0.000 2.619 152 I HA 0.511 4.682 4.170 0.001 0.000 0.292 152 I C -0.960 174.679 176.117 -0.796 0.000 1.100 152 I CA -0.597 60.336 61.300 -0.612 0.000 1.043 152 I CB 2.449 40.241 38.000 -0.347 0.000 1.239 152 I HN 0.673 nan 8.210 nan 0.000 0.420 153 S N 3.368 118.811 115.700 -0.429 0.000 2.595 153 S HA 0.870 5.341 4.470 0.001 0.000 0.281 153 S C -0.931 173.629 174.600 -0.067 0.000 1.117 153 S CA -0.650 57.406 58.200 -0.240 0.000 0.873 153 S CB 2.245 65.414 63.200 -0.052 0.000 1.108 153 S HN 0.619 nan 8.310 nan 0.000 0.477 154 S N 0.321 115.995 115.700 -0.042 0.000 2.548 154 S HA 0.539 5.010 4.470 0.001 0.000 0.278 154 S C -1.828 172.742 174.600 -0.051 0.000 1.150 154 S CA -0.583 57.580 58.200 -0.063 0.000 0.907 154 S CB 1.120 64.300 63.200 -0.033 0.000 1.108 154 S HN 1.016 nan 8.310 nan 0.000 0.459 155 E N 1.372 121.511 120.200 -0.101 0.000 2.416 155 E HA 0.746 5.097 4.350 0.001 0.000 0.273 155 E C -1.349 175.227 176.600 -0.040 0.000 0.935 155 E CA -0.862 55.545 56.400 0.012 0.000 0.784 155 E CB 2.152 31.968 29.700 0.193 0.000 1.301 155 E HN 0.351 nan 8.360 nan 0.000 0.454 156 T N 0.768 115.366 114.554 0.075 0.000 2.916 156 T HA 0.504 4.855 4.350 0.001 0.000 0.298 156 T C -1.420 173.376 174.700 0.160 0.000 1.031 156 T CA -0.824 61.338 62.100 0.103 0.000 0.993 156 T CB 0.884 69.805 68.868 0.089 0.000 1.045 156 T HN 0.408 nan 8.240 nan 0.000 0.454 157 R N 3.066 123.691 120.500 0.208 0.000 2.695 157 R HA 0.471 4.812 4.340 0.001 0.000 0.288 157 R C 0.586 177.005 176.300 0.197 0.000 1.344 157 R CA -0.370 55.798 56.100 0.113 0.000 1.005 157 R CB 1.070 31.332 30.300 -0.063 0.000 1.233 157 R HN 1.031 nan 8.270 nan 0.000 0.442 158 G N 2.011 110.890 108.800 0.131 0.000 2.596 158 G HA2 -0.360 3.601 3.960 0.001 0.000 0.295 158 G HA3 -0.360 3.601 3.960 0.001 0.000 0.295 158 G C 0.527 175.492 174.900 0.109 0.000 1.240 158 G CA 0.222 45.377 45.100 0.092 0.000 0.985 158 G HN 0.502 nan 8.290 nan 0.000 0.555 159 L N 0.681 121.874 121.223 -0.050 0.000 2.660 159 L HA 0.373 4.714 4.340 0.001 0.000 0.238 159 L C 0.180 176.880 176.870 -0.283 0.000 1.161 159 L CA -0.033 54.685 54.840 -0.203 0.000 0.937 159 L CB -0.510 41.285 42.059 -0.441 0.000 1.122 159 L HN 0.225 nan 8.230 nan 0.000 0.435 160 F N -0.865 119.158 119.950 0.123 0.000 2.556 160 F HA 0.777 5.305 4.527 0.002 0.000 0.327 160 F C 0.732 176.759 175.800 0.378 0.000 1.059 160 F CA -0.882 57.266 58.000 0.246 0.000 0.953 160 F CB 1.764 40.908 39.000 0.240 0.000 1.227 160 F HN -0.218 nan 8.300 nan 0.000 0.478 161 G N 0.912 110.088 108.800 0.626 0.000 2.646 161 G HA2 0.513 4.474 3.960 0.001 0.000 0.291 161 G HA3 0.513 4.474 3.960 0.001 0.000 0.291 161 G C -2.350 172.398 174.900 -0.252 0.000 1.445 161 G CA -1.029 44.080 45.100 0.016 0.000 0.814 161 G HN 0.834 nan 8.290 nan 0.000 0.495 162 N N -1.288 116.943 118.700 -0.782 0.000 2.416 162 N HA 0.751 5.492 4.740 0.001 0.000 0.276 162 N C -1.148 174.146 175.510 -0.360 0.000 1.261 162 N CA -0.690 52.028 53.050 -0.554 0.000 0.790 162 N CB 2.416 40.349 38.487 -0.924 0.000 1.554 162 N HN 0.535 nan 8.380 nan 0.000 0.481 163 T N 0.050 114.635 114.554 0.052 0.000 2.893 163 T HA 0.649 5.000 4.350 0.001 0.000 0.291 163 T C -1.993 172.730 174.700 0.038 0.000 1.028 163 T CA -0.591 61.563 62.100 0.090 0.000 0.995 163 T CB 0.293 69.298 68.868 0.228 0.000 1.051 163 T HN 0.431 nan 8.240 nan 0.000 0.470 164 F N 4.683 124.513 119.950 -0.200 0.000 2.547 164 F HA 0.731 5.259 4.527 0.002 0.000 0.316 164 F C -1.530 174.136 175.800 -0.223 0.000 1.121 164 F CA -0.728 57.038 58.000 -0.388 0.000 0.911 164 F CB 1.548 40.206 39.000 -0.571 0.000 1.179 164 F HN 0.350 nan 8.300 nan 0.000 0.443 165 V N 4.963 124.225 119.914 -1.088 0.000 2.448 165 V HA 0.362 4.483 4.120 0.001 0.000 0.295 165 V C -1.285 174.186 176.094 -1.038 0.000 1.025 165 V CA -0.576 61.244 62.300 -0.800 0.000 0.859 165 V CB 1.586 33.167 31.823 -0.404 0.000 0.988 165 V HN 0.681 nan 8.190 nan 0.000 0.431 166 D N 4.271 124.308 120.400 -0.605 0.000 2.505 166 D HA 0.390 5.031 4.640 0.001 0.000 0.250 166 D C 0.183 176.213 176.300 -0.450 0.000 1.164 166 D CA -0.335 53.489 54.000 -0.292 0.000 0.870 166 D CB 1.671 42.585 40.800 0.189 0.000 1.160 166 D HN 0.400 nan 8.370 nan 0.000 0.549 167 L N 2.922 123.466 121.223 -1.131 0.000 2.700 167 L HA 0.444 4.785 4.340 0.001 0.000 0.234 167 L C 1.167 177.738 176.870 -0.498 0.000 1.156 167 L CA 0.084 54.282 54.840 -1.071 0.000 0.946 167 L CB -0.430 40.500 42.059 -1.882 0.000 1.216 167 L HN 0.671 nan 8.230 nan 0.000 0.493 168 G N 0.326 108.978 108.800 -0.246 0.000 2.655 168 G HA2 -0.241 3.719 3.960 0.001 0.000 0.680 168 G HA3 -0.241 3.719 3.960 0.001 0.000 0.680 168 G C -0.218 174.658 174.900 -0.040 0.000 1.302 168 G CA -0.207 44.723 45.100 -0.284 0.000 0.872 168 G HN 0.188 nan 8.290 nan 0.000 0.540 169 D N 0.655 120.946 120.400 -0.180 0.000 2.178 169 D HA 0.095 4.736 4.640 0.001 0.000 0.201 169 D C 0.965 177.331 176.300 0.111 0.000 0.980 169 D CA 1.840 55.872 54.000 0.054 0.000 0.842 169 D CB 0.151 40.963 40.800 0.020 0.000 0.948 169 D HN 0.555 nan 8.370 nan 0.000 0.472 170 E N -0.311 119.941 120.200 0.088 0.000 2.216 170 E HA 0.383 4.734 4.350 0.001 0.000 0.260 170 E C -1.264 175.459 176.600 0.205 0.000 0.880 170 E CA -0.627 55.842 56.400 0.116 0.000 0.765 170 E CB 2.099 31.823 29.700 0.039 0.000 1.174 170 E HN -0.009 nan 8.360 nan 0.000 0.417 171 F N 1.133 121.128 119.950 0.076 0.000 2.578 171 F HA 0.392 4.920 4.527 0.001 0.000 0.311 171 F C -1.049 174.787 175.800 0.060 0.000 1.094 171 F CA -0.363 57.672 58.000 0.059 0.000 0.923 171 F CB 2.359 41.419 39.000 0.100 0.000 1.230 171 F HN 0.174 nan 8.300 nan 0.000 0.450 172 T N 4.806 118.993 114.554 -0.610 0.000 2.786 172 T HA 0.483 4.833 4.350 0.001 0.000 0.283 172 T C -0.932 173.527 174.700 -0.402 0.000 0.992 172 T CA -0.545 61.343 62.100 -0.352 0.000 0.954 172 T CB 1.305 70.008 68.868 -0.276 0.000 0.934 172 T HN 0.345 nan 8.240 nan 0.000 0.440 173 V N 5.017 124.886 119.914 -0.075 0.000 2.461 173 V HA 0.159 4.279 4.120 0.001 0.000 0.275 173 V C 0.654 176.715 176.094 -0.055 0.000 1.047 173 V CA -0.456 61.849 62.300 0.009 0.000 0.955 173 V CB 1.109 33.012 31.823 0.134 0.000 0.988 173 V HN 0.709 nan 8.190 nan 0.000 0.471 174 L N 2.735 123.908 121.223 -0.084 0.000 2.354 174 L HA 0.335 4.675 4.340 0.001 0.000 0.212 174 L C 0.580 177.412 176.870 -0.063 0.000 1.091 174 L CA 1.147 55.930 54.840 -0.094 0.000 0.828 174 L CB -0.430 41.554 42.059 -0.126 0.000 0.973 174 L HN 0.855 nan 8.230 nan 0.000 0.461 175 D N -1.251 119.124 120.400 -0.042 0.000 2.452 175 D HA 0.189 4.830 4.640 0.001 0.000 0.226 175 D C -2.235 174.098 176.300 0.055 0.000 1.366 175 D CA -1.229 52.765 54.000 -0.011 0.000 0.986 175 D CB 1.888 42.656 40.800 -0.053 0.000 1.420 175 D HN -0.179 nan 8.370 nan 0.000 0.583 176 P HA -0.007 nan 4.420 nan 0.000 0.229 176 P C 0.880 178.294 177.300 0.190 0.000 1.160 176 P CA 0.979 64.158 63.100 0.133 0.000 0.777 176 P CB 0.457 32.215 31.700 0.097 0.000 0.814 177 T N -6.623 108.047 114.554 0.194 0.000 3.010 177 T HA 0.374 4.724 4.350 0.001 0.000 0.252 177 T C 1.561 176.427 174.700 0.278 0.000 0.963 177 T CA 0.875 63.084 62.100 0.181 0.000 0.952 177 T CB -0.584 68.334 68.868 0.083 0.000 1.182 177 T HN 0.135 nan 8.240 nan 0.000 0.495 178 G N 1.738 110.723 108.800 0.308 0.000 2.148 178 G HA2 -0.192 3.769 3.960 0.001 0.000 0.254 178 G HA3 -0.192 3.769 3.960 0.001 0.000 0.254 178 G C -0.216 174.789 174.900 0.174 0.000 0.981 178 G CA 0.156 45.467 45.100 0.351 0.000 0.670 178 G HN 0.635 nan 8.290 nan 0.000 0.528 179 E N 0.805 121.070 120.200 0.108 0.000 2.301 179 E HA 0.342 4.693 4.350 0.001 0.000 0.275 179 E C 0.558 177.185 176.600 0.045 0.000 1.030 179 E CA -0.510 55.927 56.400 0.063 0.000 0.852 179 E CB 0.872 30.597 29.700 0.041 0.000 1.060 179 E HN 0.568 nan 8.360 nan 0.000 0.401 180 E N 2.671 122.891 120.200 0.033 0.000 2.452 180 E HA 0.025 4.376 4.350 0.001 0.000 0.261 180 E C -2.088 174.522 176.600 0.017 0.000 0.987 180 E CA -1.086 55.325 56.400 0.017 0.000 0.926 180 E CB 0.090 29.798 29.700 0.013 0.000 0.934 180 E HN 0.098 nan 8.360 nan 0.000 0.452 181 P HA 0.013 nan 4.420 nan 0.000 0.266 181 P C -0.777 176.531 177.300 0.013 0.000 1.195 181 P CA 0.065 63.175 63.100 0.018 0.000 0.768 181 P CB 0.580 32.284 31.700 0.008 0.000 0.838 182 R N 0.889 121.420 120.500 0.052 0.000 2.694 182 R HA 0.575 4.915 4.340 0.001 0.000 0.268 182 R C 0.438 176.706 176.300 -0.054 0.000 1.061 182 R CA 0.383 56.526 56.100 0.073 0.000 1.133 182 R CB 0.156 30.580 30.300 0.207 0.000 1.020 182 R HN 0.385 nan 8.270 nan 0.000 0.475 183 T N -0.258 114.125 114.554 -0.284 0.000 2.923 183 T HA 0.746 5.097 4.350 0.001 0.000 0.311 183 T C -1.044 173.131 174.700 -0.874 0.000 1.183 183 T CA -0.401 61.274 62.100 -0.708 0.000 1.020 183 T CB 1.969 70.641 68.868 -0.327 0.000 1.165 183 T HN 0.747 nan 8.240 nan 0.000 0.482 184 G N 1.618 109.676 108.800 -1.237 0.000 2.547 184 G HA2 0.535 4.496 3.960 0.001 0.000 0.291 184 G HA3 0.535 4.496 3.960 0.001 0.000 0.291 184 G C -1.620 173.215 174.900 -0.108 0.000 1.471 184 G CA -0.863 43.985 45.100 -0.419 0.000 0.798 184 G HN 0.680 nan 8.290 nan 0.000 0.504 185 M N 0.851 120.506 119.600 0.093 0.000 2.216 185 M HA 0.446 4.927 4.480 0.001 0.000 0.356 185 M C 0.011 176.444 176.300 0.220 0.000 1.205 185 M CA -0.560 54.823 55.300 0.139 0.000 1.122 185 M CB 1.738 34.395 32.600 0.094 0.000 1.571 185 M HN 0.199 nan 8.290 nan 0.000 0.464 186 V N 2.099 122.145 119.914 0.221 0.000 2.439 186 V HA 0.172 4.293 4.120 0.001 0.000 0.282 186 V C 0.552 176.706 176.094 0.100 0.000 1.039 186 V CA 0.084 62.494 62.300 0.183 0.000 0.913 186 V CB 1.599 33.551 31.823 0.216 0.000 0.983 186 V HN 1.053 nan 8.190 nan 0.000 0.460 187 S N 2.554 118.255 115.700 0.001 0.000 2.483 187 S HA 0.123 4.594 4.470 0.001 0.000 0.221 187 S C 0.262 174.732 174.600 -0.217 0.000 1.030 187 S CA 0.385 58.564 58.200 -0.035 0.000 0.925 187 S CB 0.090 63.267 63.200 -0.037 0.000 0.795 187 S HN 0.884 nan 8.310 nan 0.000 0.511 188 D N -0.412 119.703 120.400 -0.474 0.000 2.745 188 D HA 0.380 5.021 4.640 0.001 0.000 0.221 188 D C -1.743 174.050 176.300 -0.846 0.000 1.237 188 D CA -0.324 53.155 54.000 -0.869 0.000 0.781 188 D CB 1.502 42.041 40.800 -0.435 0.000 1.575 188 D HN 0.255 nan 8.370 nan 0.000 0.482 189 I N 2.147 122.090 120.570 -1.046 0.000 2.468 189 I HA 0.295 4.466 4.170 0.001 0.000 0.285 189 I C 0.254 176.169 176.117 -0.337 0.000 1.039 189 I CA -0.677 60.285 61.300 -0.564 0.000 1.074 189 I CB 2.025 39.745 38.000 -0.466 0.000 1.228 189 I HN 0.141 nan 8.210 nan 0.000 0.436 190 E N 6.631 126.679 120.200 -0.254 0.000 2.318 190 E HA 0.245 4.596 4.350 0.001 0.000 0.265 190 E C -1.677 174.861 176.600 -0.104 0.000 1.069 190 E CA -1.576 54.734 56.400 -0.149 0.000 0.893 190 E CB 1.060 30.681 29.700 -0.132 0.000 1.076 190 E HN 0.315 nan 8.360 nan 0.000 0.414 191 P HA -0.213 nan 4.420 nan 0.000 0.217 191 P C 0.453 177.735 177.300 -0.031 0.000 1.148 191 P CA 1.344 64.426 63.100 -0.029 0.000 0.828 191 P CB 0.067 31.758 31.700 -0.016 0.000 0.783 192 D N -1.867 118.506 120.400 -0.046 0.000 2.324 192 D HA 0.044 4.685 4.640 0.001 0.000 0.235 192 D C 1.156 177.423 176.300 -0.056 0.000 1.095 192 D CA 0.608 54.585 54.000 -0.038 0.000 0.871 192 D CB -0.794 39.983 40.800 -0.037 0.000 0.906 192 D HN 0.228 nan 8.370 nan 0.000 0.522 193 G N 0.842 109.586 108.800 -0.093 0.000 2.136 193 G HA2 -0.269 3.691 3.960 0.001 0.000 0.242 193 G HA3 -0.269 3.691 3.960 0.001 0.000 0.242 193 G C 0.338 175.113 174.900 -0.208 0.000 0.989 193 G CA 0.425 45.440 45.100 -0.141 0.000 0.682 193 G HN 0.682 nan 8.290 nan 0.000 0.522 194 T N -0.269 114.161 114.554 -0.207 0.000 2.761 194 T HA 0.540 4.891 4.350 0.001 0.000 0.296 194 T C 0.268 174.741 174.700 -0.379 0.000 0.934 194 T CA -0.070 61.874 62.100 -0.260 0.000 1.091 194 T CB 1.247 70.011 68.868 -0.173 0.000 0.896 194 T HN 0.734 nan 8.240 nan 0.000 0.515 195 V N 6.766 126.333 119.914 -0.579 0.000 2.333 195 V HA 0.355 4.475 4.120 0.001 0.000 0.274 195 V C 0.661 176.444 176.094 -0.518 0.000 1.028 195 V CA -0.821 61.071 62.300 -0.679 0.000 0.851 195 V CB 1.136 32.271 31.823 -1.146 0.000 1.000 195 V HN 1.089 nan 8.190 nan 0.000 0.456 196 T N 5.538 119.907 114.554 -0.309 0.000 2.845 196 T HA 0.534 4.885 4.350 0.001 0.000 0.288 196 T C 0.134 174.811 174.700 -0.039 0.000 0.980 196 T CA -0.736 61.283 62.100 -0.135 0.000 1.071 196 T CB 1.106 69.906 68.868 -0.115 0.000 0.941 196 T HN 0.328 nan 8.240 nan 0.000 0.487 197 M N 2.209 121.877 119.600 0.114 0.000 2.228 197 M HA 0.278 4.759 4.480 0.001 0.000 0.326 197 M C 0.175 176.544 176.300 0.115 0.000 1.122 197 M CA -1.037 54.384 55.300 0.202 0.000 1.161 197 M CB 0.165 32.976 32.600 0.352 0.000 1.437 197 M HN 0.550 nan 8.290 nan 0.000 0.465 198 L N 2.680 123.973 121.223 0.116 0.000 2.462 198 L HA 0.017 4.357 4.340 0.001 0.000 0.272 198 L C 0.432 177.317 176.870 0.026 0.000 1.166 198 L CA 0.346 55.217 54.840 0.051 0.000 0.880 198 L CB -0.240 41.852 42.059 0.055 0.000 1.142 198 L HN 0.520 nan 8.230 nan 0.000 0.473 199 D N 5.430 125.808 120.400 -0.036 0.000 4.368 199 D HA -0.211 4.430 4.640 0.001 0.000 0.202 199 D C 0.908 177.150 176.300 -0.096 0.000 1.209 199 D CA 1.584 55.526 54.000 -0.098 0.000 0.766 199 D CB 0.119 40.856 40.800 -0.104 0.000 1.226 199 D HN 0.834 nan 8.370 nan 0.000 0.663 200 D N 2.060 122.355 120.400 -0.175 0.000 1.931 200 D HA -0.210 4.431 4.640 0.001 0.000 0.201 200 D C -0.456 175.964 176.300 0.200 0.000 1.305 200 D CA 0.334 54.270 54.000 -0.108 0.000 1.398 200 D CB -1.160 39.600 40.800 -0.067 0.000 1.389 200 D HN 0.466 nan 8.370 nan 0.000 0.614 201 N N 1.967 120.782 118.700 0.190 0.000 2.411 201 N HA 0.079 4.820 4.740 0.001 0.000 0.261 201 N C 0.209 175.909 175.510 0.316 0.000 1.248 201 N CA 0.568 53.752 53.050 0.223 0.000 0.885 201 N CB 0.194 38.787 38.487 0.177 0.000 1.062 201 N HN 0.321 nan 8.380 nan 0.000 0.471 202 R N 1.668 122.275 120.500 0.178 0.000 2.357 202 R HA 0.099 4.440 4.340 0.001 0.000 0.296 202 R C 1.629 177.955 176.300 0.044 0.000 1.052 202 R CA -0.551 55.531 56.100 -0.031 0.000 0.988 202 R CB 0.719 30.912 30.300 -0.179 0.000 1.025 202 R HN 0.718 nan 8.270 nan 0.000 0.469 203 H N 1.724 120.871 119.070 0.130 0.000 2.395 203 H HA -0.004 4.552 4.556 0.001 0.000 0.299 203 H C 1.057 176.448 175.328 0.105 0.000 1.070 203 H CA 0.932 57.103 56.048 0.205 0.000 1.356 203 H CB 0.191 29.938 29.762 -0.025 0.000 1.401 203 H HN 0.914 nan 8.280 nan 0.000 0.524 204 G N 1.455 110.135 108.800 -0.199 0.000 2.166 204 G HA2 -0.297 3.664 3.960 0.001 0.000 0.260 204 G HA3 -0.297 3.664 3.960 0.001 0.000 0.260 204 G C 0.240 175.159 174.900 0.031 0.000 0.986 204 G CA 0.557 45.605 45.100 -0.087 0.000 0.683 204 G HN 0.372 nan 8.290 nan 0.000 0.527 205 L N -0.491 120.866 121.223 0.223 0.000 2.475 205 L HA 0.658 4.999 4.340 0.001 0.000 0.253 205 L C 0.797 177.649 176.870 -0.030 0.000 1.198 205 L CA -0.317 54.514 54.840 -0.015 0.000 0.814 205 L CB 0.817 42.625 42.059 -0.418 0.000 1.134 205 L HN 0.253 nan 8.230 nan 0.000 0.478 206 E N -0.201 119.936 120.200 -0.105 0.000 2.317 206 E HA 0.170 4.521 4.350 0.001 0.000 0.270 206 E C -1.411 175.116 176.600 -0.123 0.000 0.885 206 E CA -0.891 55.459 56.400 -0.082 0.000 0.760 206 E CB 1.591 31.255 29.700 -0.059 0.000 1.227 206 E HN 0.470 nan 8.360 nan 0.000 0.434 207 D N 1.353 121.696 120.400 -0.096 0.000 2.533 207 D HA 0.044 4.685 4.640 0.001 0.000 0.236 207 D C 0.906 177.131 176.300 -0.124 0.000 1.137 207 D CA 1.860 55.795 54.000 -0.108 0.000 0.867 207 D CB 0.932 41.692 40.800 -0.067 0.000 1.170 207 D HN 0.832 nan 8.370 nan 0.000 0.474 208 G N 2.707 111.391 108.800 -0.193 0.000 2.176 208 G HA2 -0.297 3.664 3.960 0.001 0.000 0.253 208 G HA3 -0.297 3.664 3.960 0.001 0.000 0.253 208 G C 0.384 175.103 174.900 -0.302 0.000 0.979 208 G CA 0.013 44.968 45.100 -0.241 0.000 0.641 208 G HN 0.607 nan 8.290 nan 0.000 0.530 209 N N -0.586 117.963 118.700 -0.253 0.000 2.371 209 N HA 0.527 5.268 4.740 0.001 0.000 0.243 209 N C -0.424 174.870 175.510 -0.360 0.000 1.287 209 N CA 0.181 53.129 53.050 -0.171 0.000 0.911 209 N CB 0.250 38.645 38.487 -0.153 0.000 1.142 209 N HN 0.124 nan 8.380 nan 0.000 0.451 210 F N 0.164 120.087 119.950 -0.046 0.000 2.538 210 F HA 0.629 5.157 4.527 0.001 0.000 0.325 210 F C 0.154 175.938 175.800 -0.027 0.000 1.066 210 F CA -0.751 57.239 58.000 -0.016 0.000 0.946 210 F CB 1.533 40.531 39.000 -0.003 0.000 1.199 210 F HN 0.017 nan 8.300 nan 0.000 0.473 211 V N 2.676 122.704 119.914 0.190 0.000 2.888 211 V HA 0.594 4.715 4.120 0.001 0.000 0.309 211 V C -1.007 175.135 176.094 0.081 0.000 1.114 211 V CA -0.772 61.554 62.300 0.044 0.000 0.940 211 V CB 2.397 34.125 31.823 -0.159 0.000 1.021 211 V HN 0.828 nan 8.190 nan 0.000 0.426 212 R N 3.550 124.030 120.500 -0.033 0.000 2.856 212 R HA 0.809 5.150 4.340 0.001 0.000 0.258 212 R C -1.662 174.491 176.300 -0.244 0.000 1.066 212 R CA -0.621 55.493 56.100 0.025 0.000 1.045 212 R CB 1.613 31.963 30.300 0.083 0.000 1.178 212 R HN 0.383 nan 8.270 nan 0.000 0.499 213 F N -0.527 119.541 119.950 0.198 0.000 2.551 213 F HA 0.481 5.008 4.527 0.001 0.000 0.316 213 F C -0.220 175.632 175.800 0.087 0.000 1.089 213 F CA -0.672 57.406 58.000 0.131 0.000 0.915 213 F CB 2.955 41.987 39.000 0.054 0.000 1.186 213 F HN 0.471 nan 8.300 nan 0.000 0.456 214 S N 0.697 116.562 115.700 0.275 0.000 2.542 214 S HA 0.422 4.892 4.470 0.001 0.000 0.293 214 S C -0.321 174.363 174.600 0.140 0.000 1.089 214 S CA -0.756 57.539 58.200 0.159 0.000 0.961 214 S CB 1.616 64.875 63.200 0.100 0.000 1.062 214 S HN 0.766 nan 8.310 nan 0.000 0.483 215 E N -0.729 119.514 120.200 0.072 0.000 3.496 215 E HA -0.146 4.204 4.350 0.001 0.000 0.300 215 E C -0.620 175.988 176.600 0.014 0.000 0.877 215 E CA 0.355 56.770 56.400 0.025 0.000 1.050 215 E CB -1.472 28.243 29.700 0.025 0.000 1.532 215 E HN 0.351 nan 8.360 nan 0.000 0.447 216 V N 2.220 122.151 119.914 0.030 0.000 2.341 216 V HA 0.002 4.123 4.120 0.001 0.000 0.248 216 V C 0.851 176.877 176.094 -0.114 0.000 1.107 216 V CA 0.553 62.835 62.300 -0.029 0.000 1.069 216 V CB 0.602 32.405 31.823 -0.034 0.000 1.177 216 V HN 0.135 nan 8.190 nan 0.000 0.492 217 E N 3.135 123.224 120.200 -0.186 0.000 2.299 217 E HA 0.358 4.709 4.350 0.001 0.000 0.272 217 E C 1.146 177.590 176.600 -0.259 0.000 1.043 217 E CA 1.067 57.352 56.400 -0.191 0.000 0.895 217 E CB 1.127 30.714 29.700 -0.189 0.000 1.011 217 E HN 0.874 nan 8.360 nan 0.000 0.432 218 G N 3.777 112.485 108.800 -0.154 0.000 2.391 218 G HA2 -0.229 3.731 3.960 0.001 0.000 0.204 218 G HA3 -0.229 3.731 3.960 0.001 0.000 0.204 218 G C 0.499 175.370 174.900 -0.049 0.000 1.012 218 G CA -0.028 44.999 45.100 -0.121 0.000 0.651 218 G HN 0.490 nan 8.290 nan 0.000 0.494 219 L N 2.943 124.136 121.223 -0.051 0.000 3.108 219 L HA 0.266 4.606 4.340 0.001 0.000 0.251 219 L C 1.980 178.857 176.870 0.011 0.000 1.315 219 L CA 0.267 55.109 54.840 0.003 0.000 1.048 219 L CB 0.375 42.395 42.059 -0.065 0.000 1.432 219 L HN 0.486 nan 8.230 nan 0.000 0.543 220 D N 1.044 121.461 120.400 0.029 0.000 2.192 220 D HA -0.322 4.319 4.640 0.001 0.000 0.189 220 D C 1.311 177.649 176.300 0.062 0.000 1.007 220 D CA 1.755 55.773 54.000 0.030 0.000 0.859 220 D CB 0.131 40.949 40.800 0.030 0.000 0.936 220 D HN 0.337 nan 8.370 nan 0.000 0.447 221 K N -0.183 120.305 120.400 0.146 0.000 2.442 221 K HA -0.056 4.265 4.320 0.001 0.000 0.198 221 K C 2.199 178.858 176.600 0.098 0.000 1.044 221 K CA 0.056 56.462 56.287 0.198 0.000 0.948 221 K CB -0.169 32.529 32.500 0.330 0.000 0.762 221 K HN 0.175 nan 8.250 nan 0.000 0.472 222 L N 1.375 122.506 121.223 -0.153 0.000 2.265 222 L HA -0.132 4.208 4.340 0.001 0.000 0.215 222 L C 1.037 177.949 176.870 0.070 0.000 1.117 222 L CA 1.295 55.956 54.840 -0.297 0.000 0.782 222 L CB -0.053 41.702 42.059 -0.506 0.000 0.914 222 L HN 0.184 nan 8.230 nan 0.000 0.441 223 N N -0.951 117.798 118.700 0.081 0.000 2.268 223 N HA -0.088 4.653 4.740 0.001 0.000 0.204 223 N C 0.843 176.429 175.510 0.128 0.000 1.124 223 N CA 0.217 53.350 53.050 0.138 0.000 0.838 223 N CB 0.015 38.554 38.487 0.087 0.000 0.994 223 N HN 0.377 nan 8.380 nan 0.000 0.489 224 D N 1.031 121.509 120.400 0.129 0.000 2.190 224 D HA -0.155 4.486 4.640 0.001 0.000 0.200 224 D C 1.438 177.794 176.300 0.093 0.000 0.992 224 D CA 1.648 55.713 54.000 0.109 0.000 0.854 224 D CB 0.229 41.105 40.800 0.126 0.000 0.936 224 D HN 0.480 nan 8.370 nan 0.000 0.462 225 G N -0.958 107.912 108.800 0.118 0.000 2.218 225 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 225 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 225 G C 0.592 175.535 174.900 0.072 0.000 0.994 225 G CA 0.417 45.569 45.100 0.086 0.000 0.637 225 G HN 0.384 nan 8.290 nan 0.000 0.505 226 T N 2.250 116.846 114.554 0.070 0.000 2.933 226 T HA 0.417 4.767 4.350 0.001 0.000 0.306 226 T C 0.845 175.493 174.700 -0.086 0.000 1.045 226 T CA 0.516 62.585 62.100 -0.052 0.000 1.143 226 T CB 0.448 69.251 68.868 -0.109 0.000 1.003 226 T HN 0.415 nan 8.240 nan 0.000 0.540 227 L N 3.072 124.190 121.223 -0.175 0.000 2.360 227 L HA 0.683 5.023 4.340 0.001 0.000 0.271 227 L C -0.664 176.086 176.870 -0.200 0.000 1.057 227 L CA -0.883 53.948 54.840 -0.015 0.000 0.803 227 L CB 0.834 42.948 42.059 0.092 0.000 1.207 227 L HN 0.512 nan 8.230 nan 0.000 0.445 228 F N 0.216 120.332 119.950 0.277 0.000 2.547 228 F HA 0.416 4.944 4.527 0.002 0.000 0.316 228 F C 0.131 175.960 175.800 0.047 0.000 1.121 228 F CA -0.862 57.269 58.000 0.218 0.000 0.911 228 F CB 1.769 40.920 39.000 0.252 0.000 1.179 228 F HN 0.307 nan 8.300 nan 0.000 0.443 229 K N 1.842 122.269 120.400 0.046 0.000 2.350 229 K HA 0.481 4.801 4.320 0.001 0.000 0.279 229 K C -0.999 175.492 176.600 -0.181 0.000 1.027 229 K CA -0.191 55.841 56.287 -0.425 0.000 0.969 229 K CB 0.802 33.111 32.500 -0.318 0.000 0.954 229 K HN 0.507 nan 8.250 nan 0.000 0.474 230 V N 4.452 124.187 119.914 -0.298 0.000 2.398 230 V HA 0.164 4.285 4.120 0.001 0.000 0.286 230 V C -0.274 175.734 176.094 -0.142 0.000 1.026 230 V CA -0.504 61.692 62.300 -0.173 0.000 0.868 230 V CB 1.378 32.978 31.823 -0.371 0.000 0.982 230 V HN 0.784 nan 8.190 nan 0.000 0.443 231 E N 4.362 124.537 120.200 -0.041 0.000 2.129 231 E HA 0.397 4.748 4.350 0.001 0.000 0.268 231 E C -1.258 175.334 176.600 -0.013 0.000 0.900 231 E CA -0.526 55.851 56.400 -0.037 0.000 0.755 231 E CB 1.906 31.596 29.700 -0.016 0.000 1.117 231 E HN 0.470 nan 8.360 nan 0.000 0.410 232 V N 6.839 126.731 119.914 -0.036 0.000 2.470 232 V HA 0.039 4.160 4.120 0.001 0.000 0.276 232 V C 1.291 177.402 176.094 0.028 0.000 1.040 232 V CA 0.225 62.521 62.300 -0.007 0.000 1.008 232 V CB 0.960 32.789 31.823 0.011 0.000 0.990 232 V HN 0.801 nan 8.190 nan 0.000 0.477 233 L N 3.938 125.195 121.223 0.057 0.000 2.221 233 L HA 0.476 4.817 4.340 0.001 0.000 0.202 233 L C 1.177 178.087 176.870 0.066 0.000 1.074 233 L CA 1.094 55.963 54.840 0.049 0.000 0.795 233 L CB -0.020 42.058 42.059 0.032 0.000 0.960 233 L HN 0.813 nan 8.230 nan 0.000 0.458 234 G N -2.099 106.771 108.800 0.117 0.000 2.619 234 G HA2 0.286 4.247 3.960 0.001 0.000 0.305 234 G HA3 0.286 4.247 3.960 0.001 0.000 0.305 234 G C -2.550 172.372 174.900 0.035 0.000 1.330 234 G CA -0.371 44.768 45.100 0.065 0.000 0.789 234 G HN -0.352 nan 8.290 nan 0.000 0.487 235 P HA 0.073 nan 4.420 nan 0.000 0.219 235 P C 0.498 177.302 177.300 -0.826 0.000 1.146 235 P CA 1.140 63.775 63.100 -0.775 0.000 0.808 235 P CB -0.020 30.948 31.700 -1.219 0.000 0.779 236 F N -1.904 118.099 119.950 0.088 0.000 2.735 236 F HA 0.620 5.148 4.527 0.002 0.000 0.304 236 F C 0.637 176.587 175.800 0.249 0.000 1.119 236 F CA -0.551 57.546 58.000 0.161 0.000 1.280 236 F CB 0.304 39.343 39.000 0.066 0.000 0.994 236 F HN -0.201 nan 8.300 nan 0.000 0.520 237 A N 1.123 124.214 122.820 0.452 0.000 2.594 237 A HA 0.743 5.064 4.320 0.001 0.000 0.296 237 A C -1.597 176.056 177.584 0.116 0.000 1.056 237 A CA -0.676 51.474 52.037 0.188 0.000 0.693 237 A CB 1.042 20.094 19.000 0.087 0.000 1.278 237 A HN 0.304 nan 8.150 nan 0.000 0.408 238 F N -0.592 119.231 119.950 -0.211 0.000 2.678 238 F HA 0.849 5.377 4.527 0.002 0.000 0.308 238 F C -0.821 174.863 175.800 -0.193 0.000 1.118 238 F CA -0.826 57.007 58.000 -0.279 0.000 0.959 238 F CB 1.419 40.097 39.000 -0.535 0.000 1.305 238 F HN 0.713 nan 8.300 nan 0.000 0.443 239 R N 2.652 123.141 120.500 -0.019 0.000 2.604 239 R HA 0.718 5.059 4.340 0.001 0.000 0.287 239 R C 0.036 176.354 176.300 0.030 0.000 0.970 239 R CA -0.717 55.337 56.100 -0.075 0.000 0.946 239 R CB 1.626 31.896 30.300 -0.050 0.000 1.127 239 R HN 0.995 nan 8.270 nan 0.000 0.473 240 I N -0.185 120.382 120.570 -0.004 0.000 3.966 240 I HA 0.463 4.634 4.170 0.001 0.000 0.324 240 I C 0.326 176.517 176.117 0.123 0.000 1.517 240 I CA -0.215 61.144 61.300 0.097 0.000 1.117 240 I CB 0.813 38.856 38.000 0.071 0.000 1.190 240 I HN 0.798 nan 8.210 nan 0.000 0.466 241 G N 1.878 110.713 108.800 0.060 0.000 2.787 241 G HA2 -0.222 3.738 3.960 0.001 0.000 0.685 241 G HA3 -0.222 3.738 3.960 0.001 0.000 0.685 241 G C -0.278 174.663 174.900 0.068 0.000 1.437 241 G CA -0.114 45.031 45.100 0.074 0.000 0.872 241 G HN 0.599 nan 8.290 nan 0.000 0.566 242 S N -1.160 114.579 115.700 0.064 0.000 2.563 242 S HA 0.274 4.744 4.470 0.001 0.000 0.294 242 S C 1.616 176.287 174.600 0.118 0.000 1.279 242 S CA 0.841 59.075 58.200 0.057 0.000 1.069 242 S CB 0.674 63.899 63.200 0.042 0.000 0.828 242 S HN 2.105 nan 8.310 nan 0.000 0.497 243 V N 3.030 123.004 119.914 0.099 0.000 3.477 243 V HA 0.342 4.463 4.120 0.001 0.000 0.297 243 V C 1.574 177.762 176.094 0.156 0.000 1.433 243 V CA 0.000 62.428 62.300 0.214 0.000 1.052 243 V CB -0.531 31.342 31.823 0.084 0.000 0.895 243 V HN 0.865 nan 8.190 nan 0.000 0.438 244 K N 1.296 121.736 120.400 0.066 0.000 2.207 244 K HA -0.208 4.113 4.320 0.001 0.000 0.208 244 K C 1.726 178.336 176.600 0.016 0.000 1.046 244 K CA 2.226 58.532 56.287 0.032 0.000 0.929 244 K CB -0.114 32.393 32.500 0.010 0.000 0.720 244 K HN 0.603 nan 8.250 nan 0.000 0.463 245 E N -0.503 119.682 120.200 -0.026 0.000 2.478 245 E HA -0.067 4.283 4.350 0.001 0.000 0.194 245 E C 1.214 177.700 176.600 -0.190 0.000 1.045 245 E CA 0.659 56.984 56.400 -0.125 0.000 0.868 245 E CB 0.101 29.686 29.700 -0.192 0.000 0.885 245 E HN 0.521 nan 8.360 nan 0.000 0.505 246 Y N 0.627 120.941 120.300 0.024 0.000 2.510 246 Y HA 0.200 4.751 4.550 0.001 0.000 0.273 246 Y C 1.516 177.419 175.900 0.004 0.000 1.119 246 Y CA 0.443 58.557 58.100 0.023 0.000 1.286 246 Y CB 0.902 39.380 38.460 0.030 0.000 1.061 246 Y HN 0.093 nan 8.280 nan 0.000 0.542 247 G N 0.148 109.023 108.800 0.125 0.000 2.280 247 G HA2 -0.107 3.854 3.960 0.001 0.000 0.277 247 G HA3 -0.107 3.854 3.960 0.001 0.000 0.277 247 G C -1.333 173.600 174.900 0.055 0.000 1.288 247 G CA -1.009 44.131 45.100 0.068 0.000 1.075 247 G HN -0.009 nan 8.290 nan 0.000 0.480 248 E N -0.429 119.790 120.200 0.032 0.000 2.176 248 E HA 0.447 4.798 4.350 0.001 0.000 0.267 248 E C -0.927 175.695 176.600 0.036 0.000 0.893 248 E CA -0.759 55.663 56.400 0.037 0.000 0.761 248 E CB 1.946 31.660 29.700 0.023 0.000 1.133 248 E HN 0.555 nan 8.360 nan 0.000 0.409 249 Y N 3.526 123.789 120.300 -0.061 0.000 2.811 249 Y HA -0.158 4.393 4.550 0.001 0.000 0.334 249 Y C 0.627 176.494 175.900 -0.055 0.000 1.247 249 Y CA 1.317 59.371 58.100 -0.078 0.000 1.526 249 Y CB 0.519 38.916 38.460 -0.106 0.000 1.284 249 Y HN 0.531 nan 8.280 nan 0.000 0.586 250 K N 4.148 124.124 120.400 -0.706 0.000 2.363 250 K HA 0.203 4.524 4.320 0.001 0.000 0.215 250 K C -0.578 175.629 176.600 -0.655 0.000 1.179 250 K CA 0.234 56.242 56.287 -0.466 0.000 0.856 250 K CB 0.459 32.792 32.500 -0.278 0.000 1.371 250 K HN 0.662 nan 8.250 nan 0.000 0.455 251 K N -0.903 118.951 120.400 -0.910 0.000 2.672 251 K HA 0.446 4.767 4.320 0.001 0.000 0.295 251 K C -0.602 175.801 176.600 -0.328 0.000 1.042 251 K CA -0.397 55.610 56.287 -0.466 0.000 0.869 251 K CB 1.401 33.805 32.500 -0.158 0.000 1.541 251 K HN 0.218 nan 8.250 nan 0.000 0.396 252 G N -0.868 107.922 108.800 -0.016 0.000 2.760 252 G HA2 0.299 4.260 3.960 0.001 0.000 0.246 252 G HA3 0.299 4.260 3.960 0.001 0.000 0.246 252 G C 0.136 175.130 174.900 0.156 0.000 1.359 252 G CA -0.020 45.105 45.100 0.042 0.000 0.861 252 G HN 2.028 nan 8.290 nan 0.000 0.541 253 G N -1.702 107.183 108.800 0.142 0.000 2.760 253 G HA2 0.503 4.464 3.960 0.001 0.000 0.540 253 G HA3 0.503 4.464 3.960 0.001 0.000 0.540 253 G C -0.967 174.068 174.900 0.225 0.000 1.476 253 G CA -0.054 45.173 45.100 0.213 0.000 0.949 253 G HN 1.505 nan 8.290 nan 0.000 0.633 254 I N 2.525 123.239 120.570 0.240 0.000 2.466 254 I HA 0.562 4.733 4.170 0.001 0.000 0.289 254 I C 0.227 176.462 176.117 0.196 0.000 1.026 254 I CA -1.086 60.309 61.300 0.159 0.000 1.078 254 I CB 1.747 39.778 38.000 0.050 0.000 1.249 254 I HN 0.595 nan 8.210 nan 0.000 0.429 255 F N 4.137 124.141 119.950 0.090 0.000 2.397 255 F HA 0.818 5.346 4.527 0.001 0.000 0.331 255 F C -0.424 175.302 175.800 -0.124 0.000 1.090 255 F CA -0.383 57.507 58.000 -0.183 0.000 1.065 255 F CB 1.214 40.109 39.000 -0.175 0.000 1.184 255 F HN 0.254 nan 8.300 nan 0.000 0.499 256 T N 3.031 117.564 114.554 -0.035 0.000 2.928 256 T HA 0.183 4.533 4.350 0.001 0.000 0.296 256 T C -0.934 173.821 174.700 0.093 0.000 1.000 256 T CA -0.691 61.382 62.100 -0.045 0.000 0.989 256 T CB 1.380 70.211 68.868 -0.061 0.000 1.005 256 T HN 0.818 nan 8.240 nan 0.000 0.442 257 E N 2.437 122.721 120.200 0.139 0.000 2.392 257 E HA 0.341 4.691 4.350 0.001 0.000 0.264 257 E C -1.043 175.597 176.600 0.066 0.000 1.024 257 E CA -0.240 56.226 56.400 0.110 0.000 0.903 257 E CB 0.639 30.402 29.700 0.106 0.000 0.963 257 E HN 0.323 nan 8.360 nan 0.000 0.432 258 V N 4.711 124.674 119.914 0.081 0.000 2.483 258 V HA 0.213 4.333 4.120 0.001 0.000 0.297 258 V C -0.493 175.636 176.094 0.057 0.000 1.027 258 V CA -0.922 61.409 62.300 0.052 0.000 0.855 258 V CB 1.717 33.563 31.823 0.038 0.000 0.995 258 V HN 0.641 nan 8.190 nan 0.000 0.424 259 K N 3.200 123.614 120.400 0.023 0.000 2.322 259 K HA 0.508 4.829 4.320 0.001 0.000 0.283 259 K C -0.355 176.217 176.600 -0.047 0.000 1.042 259 K CA -0.082 56.212 56.287 0.013 0.000 0.958 259 K CB 1.279 33.785 32.500 0.008 0.000 0.984 259 K HN 0.662 nan 8.250 nan 0.000 0.473 260 V N 1.302 121.168 119.914 -0.080 0.000 2.667 260 V HA 0.649 4.769 4.120 0.001 0.000 0.308 260 V C -2.285 173.733 176.094 -0.126 0.000 1.048 260 V CA -2.494 59.699 62.300 -0.179 0.000 0.928 260 V CB 1.276 32.843 31.823 -0.425 0.000 1.004 260 V HN 0.677 nan 8.190 nan 0.000 0.444 261 P HA 0.233 nan 4.420 nan 0.000 0.268 261 P C -0.819 176.435 177.300 -0.077 0.000 1.204 261 P CA -0.055 62.985 63.100 -0.100 0.000 0.768 261 P CB 0.645 32.278 31.700 -0.111 0.000 0.842 262 R N 2.544 123.019 120.500 -0.041 0.000 2.360 262 R HA 0.308 4.649 4.340 0.001 0.000 0.318 262 R C -0.339 175.966 176.300 0.009 0.000 0.950 262 R CA -0.833 55.264 56.100 -0.006 0.000 0.837 262 R CB 1.050 31.367 30.300 0.028 0.000 1.165 262 R HN 0.354 nan 8.270 nan 0.000 0.458 263 K N 6.931 127.336 120.400 0.008 0.000 2.258 263 K HA 0.261 4.582 4.320 0.001 0.000 0.284 263 K C -0.271 176.370 176.600 0.069 0.000 1.051 263 K CA -0.518 55.788 56.287 0.032 0.000 0.923 263 K CB 0.569 33.076 32.500 0.012 0.000 1.046 263 K HN 0.655 nan 8.250 nan 0.000 0.474 264 I N -0.532 120.121 120.570 0.138 0.000 2.957 264 I HA 0.522 4.692 4.170 0.001 0.000 0.310 264 I C -0.854 175.368 176.117 0.174 0.000 1.063 264 I CA -0.876 60.492 61.300 0.113 0.000 1.033 264 I CB 2.232 40.278 38.000 0.076 0.000 1.230 264 I HN 0.465 nan 8.210 nan 0.000 0.447 265 S N 2.770 118.497 115.700 0.045 0.000 2.532 265 S HA 0.727 5.198 4.470 0.001 0.000 0.299 265 S C -1.244 173.366 174.600 0.016 0.000 1.105 265 S CA -0.387 57.887 58.200 0.122 0.000 1.018 265 S CB 0.749 63.995 63.200 0.076 0.000 1.021 265 S HN 0.442 nan 8.310 nan 0.000 0.483 266 F N 3.077 123.077 119.950 0.082 0.000 2.507 266 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 266 F C 0.761 176.673 175.800 0.185 0.000 1.068 266 F CA -0.896 57.154 58.000 0.083 0.000 0.965 266 F CB 1.258 40.270 39.000 0.021 0.000 1.192 266 F HN 0.296 nan 8.300 nan 0.000 0.476 267 K N 0.739 121.309 120.400 0.284 0.000 2.087 267 K HA 0.401 4.722 4.320 0.001 0.000 0.255 267 K C -0.027 176.665 176.600 0.154 0.000 0.988 267 K CA -0.458 55.931 56.287 0.171 0.000 0.915 267 K CB 1.473 34.044 32.500 0.118 0.000 1.043 267 K HN 0.755 nan 8.250 nan 0.000 0.457 268 S N 0.686 116.299 115.700 -0.144 0.000 2.600 268 S HA 0.025 4.496 4.470 0.001 0.000 0.265 268 S C 1.293 175.916 174.600 0.038 0.000 1.325 268 S CA -0.612 57.489 58.200 -0.164 0.000 1.002 268 S CB 0.486 63.455 63.200 -0.384 0.000 0.921 268 S HN 0.532 nan 8.310 nan 0.000 0.554 269 L N 1.366 122.555 121.223 -0.057 0.000 2.012 269 L HA -0.051 4.289 4.340 0.001 0.000 0.210 269 L C 2.516 179.279 176.870 -0.179 0.000 1.073 269 L CA 2.124 56.748 54.840 -0.361 0.000 0.748 269 L CB -1.258 40.522 42.059 -0.464 0.000 0.891 269 L HN 0.985 nan 8.230 nan 0.000 0.431 270 K N -1.034 119.288 120.400 -0.129 0.000 2.074 270 K HA -0.269 4.052 4.320 0.001 0.000 0.209 270 K C 2.207 178.790 176.600 -0.028 0.000 1.048 270 K CA 2.067 58.309 56.287 -0.075 0.000 0.926 270 K CB -0.134 32.320 32.500 -0.076 0.000 0.713 270 K HN 0.476 nan 8.250 nan 0.000 0.444 271 Q N -0.245 119.540 119.800 -0.025 0.000 2.046 271 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 271 Q C 2.238 178.277 176.000 0.065 0.000 0.975 271 Q CA 1.442 57.253 55.803 0.012 0.000 0.836 271 Q CB 0.145 28.884 28.738 0.001 0.000 0.896 271 Q HN 0.292 nan 8.270 nan 0.000 0.428 272 Q N 0.047 119.916 119.800 0.115 0.000 2.224 272 Q HA -0.103 4.238 4.340 0.001 0.000 0.203 272 Q C 2.121 178.305 176.000 0.307 0.000 0.970 272 Q CA 0.855 56.808 55.803 0.250 0.000 0.865 272 Q CB -0.039 28.959 28.738 0.434 0.000 0.922 272 Q HN 0.454 nan 8.270 nan 0.000 0.445 273 L N 0.610 121.968 121.223 0.224 0.000 2.079 273 L HA -0.207 4.134 4.340 0.001 0.000 0.210 273 L C 2.407 179.424 176.870 0.245 0.000 1.081 273 L CA 1.729 56.702 54.840 0.222 0.000 0.752 273 L CB -0.396 41.703 42.059 0.067 0.000 0.896 273 L HN 0.253 nan 8.230 nan 0.000 0.433 274 S N -2.381 113.398 115.700 0.131 0.000 2.497 274 S HA 0.048 4.519 4.470 0.001 0.000 0.218 274 S C 0.621 175.253 174.600 0.052 0.000 1.023 274 S CA -0.323 57.933 58.200 0.093 0.000 0.913 274 S CB -0.054 63.177 63.200 0.052 0.000 0.800 274 S HN 0.410 nan 8.310 nan 0.000 0.505 275 N N 2.889 121.607 118.700 0.030 0.000 2.762 275 N HA 0.400 5.141 4.740 0.001 0.000 0.252 275 N C -3.190 172.274 175.510 -0.076 0.000 1.269 275 N CA -1.192 51.843 53.050 -0.025 0.000 0.799 275 N CB 2.041 40.525 38.487 -0.004 0.000 1.173 275 N HN 0.304 nan 8.380 nan 0.000 0.516 276 P HA 0.123 nan 4.420 nan 0.000 0.282 276 P C -0.824 176.168 177.300 -0.513 0.000 1.249 276 P CA -0.165 62.703 63.100 -0.387 0.000 0.806 276 P CB 1.391 32.460 31.700 -1.051 0.000 0.984 277 E N 2.116 122.138 120.200 -0.297 0.000 2.133 277 E HA 0.384 4.735 4.350 0.001 0.000 0.274 277 E C -1.227 175.220 176.600 -0.254 0.000 0.930 277 E CA -0.585 55.654 56.400 -0.269 0.000 0.770 277 E CB 0.417 30.063 29.700 -0.090 0.000 1.104 277 E HN 0.271 nan 8.360 nan 0.000 0.403 278 F N 2.723 122.658 119.950 -0.025 0.000 2.425 278 F HA 0.447 4.975 4.527 0.003 0.000 0.331 278 F C -0.124 175.481 175.800 -0.325 0.000 1.085 278 F CA -1.045 56.868 58.000 -0.145 0.000 1.028 278 F CB 1.630 40.424 39.000 -0.343 0.000 1.177 278 F HN 0.137 nan 8.300 nan 0.000 0.487 279 V N 3.117 123.029 119.914 -0.003 0.000 2.495 279 V HA 0.347 4.468 4.120 0.001 0.000 0.298 279 V C -0.508 175.539 176.094 -0.079 0.000 1.031 279 V CA -1.059 61.195 62.300 -0.077 0.000 0.871 279 V CB 1.487 33.395 31.823 0.140 0.000 0.988 279 V HN 0.489 nan 8.190 nan 0.000 0.432 280 F N 2.205 122.247 119.950 0.153 0.000 2.384 280 F HA 0.293 4.821 4.527 0.002 0.000 0.338 280 F C 1.665 177.563 175.800 0.163 0.000 1.103 280 F CA -0.087 57.929 58.000 0.027 0.000 1.157 280 F CB 1.792 40.571 39.000 -0.369 0.000 1.167 280 F HN 0.611 nan 8.300 nan 0.000 0.529 281 S N -0.670 115.266 115.700 0.394 0.000 2.478 281 S HA 0.022 4.493 4.470 0.001 0.000 0.222 281 S C -0.024 174.887 174.600 0.517 0.000 1.008 281 S CA 0.298 58.734 58.200 0.393 0.000 0.928 281 S CB 0.096 63.516 63.200 0.366 0.000 0.781 281 S HN 0.661 nan 8.310 nan 0.000 0.518 282 D N -0.532 120.109 120.400 0.402 0.000 2.613 282 D HA 0.319 4.960 4.640 0.001 0.000 0.230 282 D C -0.489 175.987 176.300 0.292 0.000 1.365 282 D CA -0.663 53.599 54.000 0.437 0.000 0.976 282 D CB 0.534 41.486 40.800 0.253 0.000 1.415 282 D HN -0.014 nan 8.370 nan 0.000 0.589 283 F N 2.035 122.144 119.950 0.265 0.000 2.333 283 F HA 0.028 4.556 4.527 0.002 0.000 0.300 283 F C 2.459 178.376 175.800 0.195 0.000 1.083 283 F CA 1.008 59.106 58.000 0.164 0.000 1.395 283 F CB -0.192 38.890 39.000 0.137 0.000 1.056 283 F HN 0.522 nan 8.300 nan 0.000 0.529 284 A N -0.507 122.520 122.820 0.344 0.000 2.168 284 A HA -0.070 4.251 4.320 0.001 0.000 0.215 284 A C 1.642 179.317 177.584 0.152 0.000 1.152 284 A CA 0.969 53.149 52.037 0.238 0.000 0.716 284 A CB -0.399 18.706 19.000 0.175 0.000 0.794 284 A HN 0.333 nan 8.150 nan 0.000 0.465 285 K N -0.773 119.693 120.400 0.110 0.000 2.676 285 K HA 0.212 4.533 4.320 0.001 0.000 0.205 285 K C 0.564 177.088 176.600 -0.127 0.000 1.084 285 K CA -0.168 56.093 56.287 -0.043 0.000 1.057 285 K CB 0.168 32.634 32.500 -0.058 0.000 0.791 285 K HN 0.569 nan 8.250 nan 0.000 0.484 286 F N 1.367 121.142 119.950 -0.292 0.000 2.171 286 F HA -0.168 4.360 4.527 0.001 0.000 0.300 286 F C 1.709 177.308 175.800 -0.335 0.000 1.090 286 F CA 1.055 58.706 58.000 -0.581 0.000 1.293 286 F CB -0.396 38.014 39.000 -0.984 0.000 1.013 286 F HN 0.021 nan 8.300 nan 0.000 0.486 287 D N 0.911 120.644 120.400 -1.110 0.000 2.351 287 D HA -0.187 4.453 4.640 0.001 0.000 0.216 287 D C 1.656 177.735 176.300 -0.367 0.000 0.968 287 D CA 0.760 54.331 54.000 -0.715 0.000 0.899 287 D CB -0.679 39.671 40.800 -0.750 0.000 0.907 287 D HN 0.468 nan 8.370 nan 0.000 0.514 288 R N 0.141 120.465 120.500 -0.294 0.000 2.200 288 R HA 0.232 4.573 4.340 0.001 0.000 0.208 288 R C 2.307 178.489 176.300 -0.196 0.000 1.033 288 R CA 0.691 56.678 56.100 -0.187 0.000 1.000 288 R CB -0.046 30.183 30.300 -0.118 0.000 0.906 288 R HN 0.215 nan 8.270 nan 0.000 0.462 289 A N 1.755 124.431 122.820 -0.240 0.000 1.858 289 A HA -0.110 4.211 4.320 0.001 0.000 0.216 289 A C 2.412 179.607 177.584 -0.647 0.000 1.190 289 A CA 1.688 53.460 52.037 -0.442 0.000 0.617 289 A CB -0.694 17.957 19.000 -0.581 0.000 0.827 289 A HN 0.328 nan 8.150 nan 0.000 0.443 290 A N -1.037 121.491 122.820 -0.487 0.000 1.948 290 A HA -0.236 4.085 4.320 0.001 0.000 0.220 290 A C 2.144 179.652 177.584 -0.126 0.000 1.177 290 A CA 1.816 53.754 52.037 -0.165 0.000 0.636 290 A CB -0.530 18.454 19.000 -0.026 0.000 0.815 290 A HN 0.583 nan 8.150 nan 0.000 0.449 291 Q N -0.471 119.223 119.800 -0.176 0.000 2.046 291 Q HA -0.058 4.283 4.340 0.001 0.000 0.200 291 Q C 2.205 178.103 176.000 -0.169 0.000 0.975 291 Q CA 1.313 57.029 55.803 -0.144 0.000 0.836 291 Q CB -0.380 28.275 28.738 -0.138 0.000 0.896 291 Q HN 0.731 nan 8.270 nan 0.000 0.428 292 L N -0.443 120.633 121.223 -0.244 0.000 2.156 292 L HA -0.141 4.200 4.340 0.001 0.000 0.208 292 L C 2.435 179.085 176.870 -0.366 0.000 1.095 292 L CA 0.848 55.564 54.840 -0.206 0.000 0.770 292 L CB -0.485 41.523 42.059 -0.085 0.000 0.914 292 L HN 0.269 nan 8.230 nan 0.000 0.439 293 H N 0.192 118.747 119.070 -0.859 0.000 2.352 293 H HA -0.200 4.356 4.556 0.000 0.000 0.299 293 H C 2.044 177.276 175.328 -0.159 0.000 1.097 293 H CA 1.783 57.467 56.048 -0.607 0.000 1.311 293 H CB 0.158 29.726 29.762 -0.322 0.000 1.377 293 H HN 0.046 nan 8.280 nan 0.000 0.504 294 L N -0.205 120.961 121.223 -0.094 0.000 2.109 294 L HA 0.048 4.389 4.340 0.001 0.000 0.207 294 L C 2.761 179.579 176.870 -0.088 0.000 1.086 294 L CA 1.674 56.467 54.840 -0.078 0.000 0.760 294 L CB -1.079 40.962 42.059 -0.030 0.000 0.910 294 L HN 0.515 nan 8.230 nan 0.000 0.437 295 G N -1.345 107.395 108.800 -0.101 0.000 2.459 295 G HA2 -0.309 3.652 3.960 0.001 0.000 0.217 295 G HA3 -0.309 3.652 3.960 0.001 0.000 0.217 295 G C 1.537 176.345 174.900 -0.153 0.000 1.183 295 G CA 0.718 45.722 45.100 -0.160 0.000 0.776 295 G HN 0.296 nan 8.290 nan 0.000 0.552 296 F N 0.933 120.793 119.950 -0.151 0.000 2.234 296 F HA 0.011 4.538 4.527 0.000 0.000 0.299 296 F C 3.067 178.878 175.800 0.019 0.000 1.087 296 F CA 1.375 59.346 58.000 -0.049 0.000 1.340 296 F CB -0.112 38.964 39.000 0.126 0.000 1.031 296 F HN 0.174 nan 8.300 nan 0.000 0.500 297 Q N -0.440 119.432 119.800 0.121 0.000 2.079 297 Q HA -0.132 4.209 4.340 0.001 0.000 0.200 297 Q C 2.543 178.588 176.000 0.076 0.000 0.974 297 Q CA 1.266 57.124 55.803 0.092 0.000 0.840 297 Q CB -0.393 28.321 28.738 -0.041 0.000 0.898 297 Q HN 0.418 nan 8.270 nan 0.000 0.430 298 A N 1.633 124.453 122.820 -0.001 0.000 1.902 298 A HA -0.163 4.158 4.320 0.001 0.000 0.217 298 A C 2.076 179.658 177.584 -0.004 0.000 1.181 298 A CA 1.365 53.398 52.037 -0.007 0.000 0.623 298 A CB -0.873 18.095 19.000 -0.053 0.000 0.818 298 A HN 0.511 nan 8.150 nan 0.000 0.443 299 L N -3.351 117.792 121.223 -0.133 0.000 2.376 299 L HA -0.018 4.323 4.340 0.001 0.000 0.219 299 L C 1.988 178.770 176.870 -0.146 0.000 1.133 299 L CA 1.805 56.523 54.840 -0.203 0.000 0.816 299 L CB -0.908 40.893 42.059 -0.430 0.000 0.933 299 L HN 0.405 nan 8.230 nan 0.000 0.449 300 H N 0.301 119.397 119.070 0.043 0.000 2.403 300 H HA -0.014 4.543 4.556 0.002 0.000 0.298 300 H C 2.301 177.681 175.328 0.086 0.000 1.059 300 H CA 1.604 57.696 56.048 0.072 0.000 1.363 300 H CB 0.127 29.927 29.762 0.063 0.000 1.410 300 H HN 0.445 nan 8.280 nan 0.000 0.528 301 Q N -0.198 119.711 119.800 0.182 0.000 2.124 301 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 301 Q C 1.786 177.867 176.000 0.135 0.000 0.977 301 Q CA 1.323 57.199 55.803 0.121 0.000 0.850 301 Q CB -0.172 28.614 28.738 0.079 0.000 0.901 301 Q HN 0.434 nan 8.270 nan 0.000 0.429 302 F N 1.305 121.275 119.950 0.033 0.000 2.069 302 F HA -0.280 4.248 4.527 0.001 0.000 0.298 302 F C 2.285 178.164 175.800 0.131 0.000 1.113 302 F CA 1.494 59.542 58.000 0.081 0.000 1.214 302 F CB -0.258 38.737 39.000 -0.009 0.000 0.978 302 F HN 0.038 nan 8.300 nan 0.000 0.474 303 A N -0.249 122.780 122.820 0.348 0.000 1.865 303 A HA -0.180 4.141 4.320 0.001 0.000 0.217 303 A C 2.281 179.945 177.584 0.133 0.000 1.191 303 A CA 2.085 54.268 52.037 0.244 0.000 0.623 303 A CB -1.438 17.675 19.000 0.190 0.000 0.826 303 A HN 0.270 nan 8.150 nan 0.000 0.444 304 V N 0.096 120.071 119.914 0.103 0.000 2.324 304 V HA -0.290 3.831 4.120 0.001 0.000 0.250 304 V C 2.682 178.760 176.094 -0.028 0.000 1.060 304 V CA 2.437 64.763 62.300 0.042 0.000 1.042 304 V CB -0.786 31.060 31.823 0.038 0.000 0.650 304 V HN 0.665 nan 8.190 nan 0.000 0.450 305 R N -1.087 119.361 120.500 -0.086 0.000 2.189 305 R HA -0.086 4.255 4.340 0.001 0.000 0.218 305 R C 1.190 177.242 176.300 -0.414 0.000 1.074 305 R CA 1.023 56.971 56.100 -0.253 0.000 0.991 305 R CB 0.011 30.114 30.300 -0.328 0.000 0.883 305 R HN 0.596 nan 8.270 nan 0.000 0.457 306 H N 0.357 119.313 119.070 -0.190 0.000 2.502 306 H HA 0.137 4.694 4.556 0.002 0.000 0.268 306 H C -0.450 174.853 175.328 -0.042 0.000 1.177 306 H CA -0.441 55.516 56.048 -0.153 0.000 0.961 306 H CB 0.179 29.806 29.762 -0.226 0.000 1.737 306 H HN 0.151 nan 8.280 nan 0.000 0.569 307 N N 1.325 120.043 118.700 0.029 0.000 2.669 307 N HA -0.196 4.545 4.740 0.001 0.000 0.266 307 N C 1.340 176.892 175.510 0.070 0.000 1.024 307 N CA 1.176 54.250 53.050 0.040 0.000 0.766 307 N CB -1.049 37.454 38.487 0.026 0.000 0.898 307 N HN 0.946 nan 8.380 nan 0.000 0.548 308 G N -0.795 108.057 108.800 0.087 0.000 2.189 308 G HA2 -0.328 3.633 3.960 0.001 0.000 0.267 308 G HA3 -0.328 3.633 3.960 0.001 0.000 0.267 308 G C -0.080 174.886 174.900 0.111 0.000 0.975 308 G CA 0.758 45.917 45.100 0.098 0.000 0.644 308 G HN 0.562 nan 8.290 nan 0.000 0.537 309 E N 0.202 120.483 120.200 0.135 0.000 2.283 309 E HA 0.510 4.861 4.350 0.001 0.000 0.278 309 E C 0.547 177.256 176.600 0.181 0.000 1.027 309 E CA -0.599 55.880 56.400 0.132 0.000 0.843 309 E CB 1.408 31.184 29.700 0.127 0.000 1.062 309 E HN 0.237 nan 8.360 nan 0.000 0.401 310 L N 3.701 124.965 121.223 0.067 0.000 2.466 310 L HA 0.220 4.561 4.340 0.001 0.000 0.257 310 L C -2.058 174.715 176.870 -0.161 0.000 1.189 310 L CA -1.428 53.377 54.840 -0.058 0.000 0.813 310 L CB -0.519 41.462 42.059 -0.129 0.000 1.118 310 L HN 0.297 nan 8.230 nan 0.000 0.471 311 P HA 0.066 nan 4.420 nan 0.000 0.267 311 P C -1.020 176.119 177.300 -0.268 0.000 1.200 311 P CA -0.257 62.440 63.100 -0.671 0.000 0.772 311 P CB 0.303 31.462 31.700 -0.901 0.000 0.855 312 R N 0.999 121.409 120.500 -0.150 0.000 2.560 312 R HA 0.311 4.652 4.340 0.001 0.000 0.270 312 R C -0.636 175.610 176.300 -0.090 0.000 1.074 312 R CA -0.396 55.650 56.100 -0.090 0.000 1.140 312 R CB -0.634 29.639 30.300 -0.047 0.000 1.073 312 R HN 0.278 nan 8.270 nan 0.000 0.527 313 T N 4.141 118.646 114.554 -0.082 0.000 2.829 313 T HA 0.032 4.383 4.350 0.001 0.000 0.293 313 T C 0.968 175.578 174.700 -0.151 0.000 0.970 313 T CA 0.166 62.207 62.100 -0.098 0.000 1.168 313 T CB 0.062 68.880 68.868 -0.083 0.000 0.911 313 T HN 0.570 nan 8.240 nan 0.000 0.535 314 M N 1.087 120.549 119.600 -0.229 0.000 2.762 314 M HA -0.227 4.254 4.480 0.001 0.000 0.190 314 M C 0.350 176.408 176.300 -0.404 0.000 0.586 314 M CA 0.502 55.441 55.300 -0.602 0.000 0.620 314 M CB -2.090 30.188 32.600 -0.536 0.000 2.269 314 M HN 0.720 nan 8.290 nan 0.000 0.563 315 N N 1.612 120.249 118.700 -0.105 0.000 2.430 315 N HA 0.055 4.796 4.740 0.001 0.000 0.265 315 N C 0.493 176.069 175.510 0.110 0.000 1.100 315 N CA -0.066 52.973 53.050 -0.018 0.000 0.961 315 N CB 0.910 39.386 38.487 -0.019 0.000 1.075 315 N HN 0.075 nan 8.380 nan 0.000 0.478 316 D N 2.865 123.319 120.400 0.091 0.000 2.097 316 D HA -0.184 4.457 4.640 0.001 0.000 0.195 316 D C 1.406 177.752 176.300 0.076 0.000 0.989 316 D CA 1.237 55.315 54.000 0.131 0.000 0.827 316 D CB 0.141 40.988 40.800 0.078 0.000 0.966 316 D HN 0.746 nan 8.370 nan 0.000 0.456 317 E N 0.446 120.678 120.200 0.054 0.000 2.038 317 E HA -0.206 4.145 4.350 0.001 0.000 0.195 317 E C 1.296 177.941 176.600 0.075 0.000 1.000 317 E CA 1.491 57.923 56.400 0.054 0.000 0.803 317 E CB 0.132 29.863 29.700 0.052 0.000 0.750 317 E HN 0.122 nan 8.360 nan 0.000 0.448 318 D N 0.157 120.603 120.400 0.076 0.000 2.178 318 D HA -0.151 4.490 4.640 0.001 0.000 0.201 318 D C 1.765 178.049 176.300 -0.026 0.000 0.980 318 D CA 1.251 55.304 54.000 0.088 0.000 0.842 318 D CB -0.370 40.408 40.800 -0.037 0.000 0.948 318 D HN 0.330 nan 8.370 nan 0.000 0.472 319 A N 1.326 124.117 122.820 -0.048 0.000 1.877 319 A HA -0.202 4.118 4.320 0.001 0.000 0.216 319 A C 2.008 179.533 177.584 -0.099 0.000 1.186 319 A CA 1.343 53.295 52.037 -0.141 0.000 0.620 319 A CB -0.500 18.376 19.000 -0.208 0.000 0.822 319 A HN 0.110 nan 8.150 nan 0.000 0.443 320 N N -0.184 118.494 118.700 -0.036 0.000 2.149 320 N HA -0.197 4.544 4.740 0.001 0.000 0.188 320 N C 1.697 177.214 175.510 0.012 0.000 1.019 320 N CA 1.615 54.654 53.050 -0.019 0.000 0.857 320 N CB -0.421 38.068 38.487 0.003 0.000 0.997 320 N HN 0.770 nan 8.380 nan 0.000 0.426 321 E N 0.168 120.410 120.200 0.071 0.000 2.110 321 E HA -0.128 4.223 4.350 0.001 0.000 0.193 321 E C 1.876 178.547 176.600 0.118 0.000 0.988 321 E CA 0.534 57.014 56.400 0.133 0.000 0.804 321 E CB 0.015 29.888 29.700 0.288 0.000 0.745 321 E HN 0.098 nan 8.360 nan 0.000 0.458 322 L N 0.663 121.921 121.223 0.059 0.000 2.072 322 L HA -0.072 4.269 4.340 0.001 0.000 0.205 322 L C 2.080 178.913 176.870 -0.062 0.000 1.079 322 L CA 1.248 56.074 54.840 -0.023 0.000 0.752 322 L CB -0.208 41.739 42.059 -0.187 0.000 0.906 322 L HN 0.206 nan 8.230 nan 0.000 0.436 323 I N -0.737 119.784 120.570 -0.081 0.000 2.264 323 I HA -0.349 3.822 4.170 0.001 0.000 0.248 323 I C 2.422 178.512 176.117 -0.046 0.000 1.111 323 I CA 1.340 62.591 61.300 -0.081 0.000 1.382 323 I CB -0.342 37.604 38.000 -0.090 0.000 1.060 323 I HN 0.224 nan 8.210 nan 0.000 0.418 324 K N 0.494 120.882 120.400 -0.020 0.000 2.148 324 K HA -0.104 4.217 4.320 0.001 0.000 0.204 324 K C 2.107 178.704 176.600 -0.005 0.000 1.050 324 K CA 1.118 57.400 56.287 -0.009 0.000 0.942 324 K CB -0.012 32.490 32.500 0.004 0.000 0.724 324 K HN 0.297 nan 8.250 nan 0.000 0.446 325 L N 0.125 121.352 121.223 0.006 0.000 2.044 325 L HA -0.162 4.179 4.340 0.001 0.000 0.205 325 L C 2.239 179.102 176.870 -0.012 0.000 1.075 325 L CA 0.736 55.581 54.840 0.010 0.000 0.747 325 L CB -0.311 41.773 42.059 0.042 0.000 0.903 325 L HN -0.040 nan 8.230 nan 0.000 0.435 326 V N -0.545 119.349 119.914 -0.033 0.000 2.343 326 V HA -0.289 3.832 4.120 0.001 0.000 0.247 326 V C 2.554 178.628 176.094 -0.034 0.000 1.051 326 V CA 2.341 64.614 62.300 -0.046 0.000 1.036 326 V CB -0.863 30.913 31.823 -0.077 0.000 0.654 326 V HN 0.489 nan 8.190 nan 0.000 0.451 327 T N -0.285 114.249 114.554 -0.033 0.000 2.720 327 T HA -0.218 4.133 4.350 0.001 0.000 0.268 327 T C 1.653 176.343 174.700 -0.016 0.000 1.037 327 T CA 1.803 63.887 62.100 -0.026 0.000 1.144 327 T CB -0.400 68.452 68.868 -0.026 0.000 0.864 327 T HN 0.476 nan 8.240 nan 0.000 0.444 328 D N 0.839 121.231 120.400 -0.013 0.000 2.117 328 D HA -0.028 4.613 4.640 0.001 0.000 0.197 328 D C 2.113 178.411 176.300 -0.004 0.000 0.987 328 D CA 0.500 54.495 54.000 -0.008 0.000 0.829 328 D CB -0.398 40.399 40.800 -0.006 0.000 0.961 328 D HN 0.131 nan 8.370 nan 0.000 0.460 329 L N 1.300 122.520 121.223 -0.005 0.000 2.013 329 L HA -0.203 4.138 4.340 0.001 0.000 0.212 329 L C 2.569 179.443 176.870 0.005 0.000 1.073 329 L CA 1.712 56.553 54.840 0.001 0.000 0.753 329 L CB -1.550 40.508 42.059 -0.003 0.000 0.890 329 L HN 0.084 nan 8.230 nan 0.000 0.432 330 S N -1.936 113.764 115.700 -0.001 0.000 2.406 330 S HA -0.094 4.377 4.470 0.001 0.000 0.228 330 S C 2.064 176.666 174.600 0.003 0.000 1.020 330 S CA 0.959 59.161 58.200 0.002 0.000 0.965 330 S CB -0.870 62.326 63.200 -0.006 0.000 0.798 330 S HN 0.177 nan 8.310 nan 0.000 0.488 331 V N 2.116 122.029 119.914 -0.001 0.000 2.343 331 V HA -0.222 3.899 4.120 0.001 0.000 0.247 331 V C 2.853 178.949 176.094 0.003 0.000 1.051 331 V CA 2.188 64.487 62.300 -0.001 0.000 1.036 331 V CB -0.955 30.866 31.823 -0.004 0.000 0.654 331 V HN 0.476 nan 8.190 nan 0.000 0.451 332 Q N -0.298 119.505 119.800 0.005 0.000 2.083 332 Q HA -0.087 4.254 4.340 0.001 0.000 0.198 332 Q C 0.667 176.674 176.000 0.012 0.000 0.969 332 Q CA 0.997 56.804 55.803 0.007 0.000 0.838 332 Q CB 0.089 28.831 28.738 0.007 0.000 0.900 332 Q HN 0.698 nan 8.270 nan 0.000 0.436 333 Q N -0.334 119.475 119.800 0.016 0.000 2.523 333 Q HA 0.206 4.547 4.340 0.001 0.000 0.251 333 Q C -2.244 173.769 176.000 0.022 0.000 1.033 333 Q CA -1.656 54.160 55.803 0.022 0.000 0.746 333 Q CB 1.573 30.331 28.738 0.032 0.000 1.189 333 Q HN -0.025 nan 8.270 nan 0.000 0.508 334 P HA -0.218 nan 4.420 nan 0.000 0.223 334 P C 1.012 178.327 177.300 0.025 0.000 1.151 334 P CA 0.959 64.070 63.100 0.018 0.000 0.787 334 P CB 0.339 32.048 31.700 0.014 0.000 0.788 335 E N 0.508 120.726 120.200 0.030 0.000 2.150 335 E HA -0.116 4.235 4.350 0.001 0.000 0.193 335 E C 1.725 178.355 176.600 0.049 0.000 0.985 335 E CA 1.643 58.065 56.400 0.038 0.000 0.814 335 E CB -1.424 28.297 29.700 0.034 0.000 0.752 335 E HN 0.220 nan 8.360 nan 0.000 0.466 336 V N -0.585 119.361 119.914 0.052 0.000 2.358 336 V HA -0.160 3.961 4.120 0.001 0.000 0.246 336 V C 2.384 178.523 176.094 0.075 0.000 1.047 336 V CA 1.032 63.376 62.300 0.073 0.000 1.035 336 V CB -0.622 31.256 31.823 0.092 0.000 0.658 336 V HN 0.069 nan 8.190 nan 0.000 0.452 337 L N 0.894 122.143 121.223 0.045 0.000 2.307 337 L HA 0.601 4.942 4.340 0.001 0.000 0.211 337 L C 1.143 178.029 176.870 0.027 0.000 1.099 337 L CA 1.246 56.099 54.840 0.023 0.000 0.816 337 L CB -0.686 41.371 42.059 -0.003 0.000 0.952 337 L HN 0.790 nan 8.230 nan 0.000 0.455 338 G N 0.015 108.836 108.800 0.035 0.000 2.742 338 G HA2 -0.096 3.864 3.960 0.001 0.000 0.686 338 G HA3 -0.096 3.864 3.960 0.001 0.000 0.686 338 G C -0.619 174.295 174.900 0.023 0.000 1.220 338 G CA -0.770 44.352 45.100 0.036 0.000 0.783 338 G HN 0.044 nan 8.290 nan 0.000 0.646 339 E N 0.464 120.679 120.200 0.025 0.000 2.480 339 E HA 0.445 4.796 4.350 0.001 0.000 0.258 339 E C 1.626 178.234 176.600 0.013 0.000 0.984 339 E CA 2.040 58.451 56.400 0.018 0.000 0.930 339 E CB 0.197 29.909 29.700 0.020 0.000 0.936 339 E HN 2.336 nan 8.360 nan 0.000 0.466 340 G N 2.857 111.661 108.800 0.007 0.000 2.267 340 G HA2 -0.290 3.671 3.960 0.001 0.000 0.257 340 G HA3 -0.290 3.671 3.960 0.001 0.000 0.257 340 G C 0.201 175.099 174.900 -0.005 0.000 0.998 340 G CA 0.183 45.283 45.100 0.002 0.000 0.620 340 G HN 0.594 nan 8.290 nan 0.000 0.529 341 V N 1.877 121.788 119.914 -0.005 0.000 2.521 341 V HA 0.368 4.489 4.120 0.001 0.000 0.286 341 V C 0.636 176.715 176.094 -0.024 0.000 1.034 341 V CA 0.043 62.332 62.300 -0.017 0.000 1.045 341 V CB 1.146 32.958 31.823 -0.018 0.000 0.974 341 V HN 0.356 nan 8.190 nan 0.000 0.480 342 D N 2.808 123.188 120.400 -0.033 0.000 2.329 342 D HA 0.322 4.963 4.640 0.001 0.000 0.246 342 D C -0.166 176.104 176.300 -0.049 0.000 1.111 342 D CA -0.216 53.762 54.000 -0.038 0.000 0.941 342 D CB 1.278 42.054 40.800 -0.039 0.000 1.169 342 D HN 0.327 nan 8.370 nan 0.000 0.441 343 V N 2.620 122.504 119.914 -0.050 0.000 2.521 343 V HA -0.018 4.103 4.120 0.001 0.000 0.286 343 V C 0.570 176.619 176.094 -0.074 0.000 1.034 343 V CA -0.213 62.049 62.300 -0.063 0.000 1.045 343 V CB 0.627 32.413 31.823 -0.060 0.000 0.974 343 V HN 0.477 nan 8.190 nan 0.000 0.480 344 N N 4.718 123.365 118.700 -0.088 0.000 2.549 344 N HA 0.052 4.793 4.740 0.001 0.000 0.267 344 N C 1.160 176.607 175.510 -0.105 0.000 1.182 344 N CA 0.141 53.134 53.050 -0.094 0.000 1.019 344 N CB 0.486 38.912 38.487 -0.102 0.000 1.380 344 N HN 0.698 nan 8.380 nan 0.000 0.505 345 E N 1.259 121.399 120.200 -0.100 0.000 2.110 345 E HA -0.175 4.176 4.350 0.001 0.000 0.193 345 E C 0.369 176.883 176.600 -0.142 0.000 0.988 345 E CA 0.968 57.298 56.400 -0.116 0.000 0.804 345 E CB 0.211 29.853 29.700 -0.097 0.000 0.745 345 E HN 0.548 nan 8.360 nan 0.000 0.458 346 D N 0.637 120.964 120.400 -0.122 0.000 2.219 346 D HA -0.107 4.534 4.640 0.001 0.000 0.205 346 D C 1.896 178.117 176.300 -0.132 0.000 0.970 346 D CA 0.491 54.413 54.000 -0.130 0.000 0.851 346 D CB 0.016 40.759 40.800 -0.095 0.000 0.943 346 D HN 0.071 nan 8.370 nan 0.000 0.488 347 L N 0.511 121.667 121.223 -0.111 0.000 2.044 347 L HA -0.085 4.256 4.340 0.001 0.000 0.205 347 L C 1.967 178.744 176.870 -0.156 0.000 1.075 347 L CA 1.063 55.860 54.840 -0.072 0.000 0.747 347 L CB -0.254 41.769 42.059 -0.059 0.000 0.903 347 L HN -0.093 nan 8.230 nan 0.000 0.435 348 I N -0.091 120.355 120.570 -0.207 0.000 2.315 348 I HA -0.240 3.931 4.170 0.001 0.000 0.248 348 I C 2.456 178.366 176.117 -0.345 0.000 1.117 348 I CA 1.098 62.230 61.300 -0.280 0.000 1.404 348 I CB -1.415 36.453 38.000 -0.219 0.000 1.071 348 I HN 0.398 nan 8.210 nan 0.000 0.419 349 K N 1.099 121.292 120.400 -0.345 0.000 2.001 349 K HA -0.232 4.088 4.320 0.001 0.000 0.214 349 K C 1.883 178.090 176.600 -0.655 0.000 1.050 349 K CA 1.576 57.544 56.287 -0.532 0.000 0.934 349 K CB -0.037 32.153 32.500 -0.517 0.000 0.718 349 K HN 0.219 nan 8.250 nan 0.000 0.443 350 E N 0.973 120.931 120.200 -0.402 0.000 2.118 350 E HA -0.203 4.148 4.350 0.001 0.000 0.195 350 E C 2.021 178.552 176.600 -0.116 0.000 0.992 350 E CA 0.789 57.099 56.400 -0.151 0.000 0.804 350 E CB -0.362 29.391 29.700 0.088 0.000 0.741 350 E HN 0.242 nan 8.360 nan 0.000 0.458 351 L N 0.852 121.795 121.223 -0.466 0.000 2.042 351 L HA -0.154 4.187 4.340 0.001 0.000 0.210 351 L C 2.412 178.972 176.870 -0.516 0.000 1.076 351 L CA 1.903 56.217 54.840 -0.878 0.000 0.749 351 L CB -0.908 40.488 42.059 -1.105 0.000 0.893 351 L HN -0.019 nan 8.230 nan 0.000 0.432 352 S N -1.508 113.932 115.700 -0.434 0.000 2.348 352 S HA -0.222 4.249 4.470 0.001 0.000 0.221 352 S C 2.060 176.563 174.600 -0.162 0.000 1.033 352 S CA 1.292 59.274 58.200 -0.364 0.000 1.010 352 S CB -0.614 62.369 63.200 -0.361 0.000 0.891 352 S HN 0.618 nan 8.310 nan 0.000 0.442 353 Y N 0.944 121.113 120.300 -0.218 0.000 2.139 353 Y HA -0.205 4.346 4.550 0.002 0.000 0.282 353 Y C 2.445 178.252 175.900 -0.156 0.000 1.179 353 Y CA 1.260 59.261 58.100 -0.165 0.000 1.161 353 Y CB -0.085 38.298 38.460 -0.130 0.000 0.970 353 Y HN 0.461 nan 8.280 nan 0.000 0.511 354 Q N -0.995 118.822 119.800 0.029 0.000 2.219 354 Q HA 0.183 4.524 4.340 0.001 0.000 0.209 354 Q C 1.959 177.925 176.000 -0.056 0.000 0.854 354 Q CA 0.219 56.016 55.803 -0.009 0.000 0.960 354 Q CB 0.575 29.362 28.738 0.081 0.000 1.116 354 Q HN 0.371 nan 8.270 nan 0.000 0.500 355 A N 1.256 123.989 122.820 -0.144 0.000 1.978 355 A HA -0.180 4.141 4.320 0.001 0.000 0.220 355 A C 1.918 179.432 177.584 -0.118 0.000 1.170 355 A CA 1.173 53.092 52.037 -0.197 0.000 0.636 355 A CB -0.136 18.680 19.000 -0.308 0.000 0.810 355 A HN 0.206 nan 8.150 nan 0.000 0.448 356 R N -0.369 120.078 120.500 -0.088 0.000 2.299 356 R HA 0.105 4.446 4.340 0.001 0.000 0.197 356 R C 1.107 177.401 176.300 -0.010 0.000 0.971 356 R CA 0.206 56.279 56.100 -0.046 0.000 1.030 356 R CB -0.047 30.227 30.300 -0.044 0.000 0.932 356 R HN 0.446 nan 8.270 nan 0.000 0.477 357 G N 0.464 109.258 108.800 -0.009 0.000 2.483 357 G HA2 0.061 4.021 3.960 0.001 0.000 0.248 357 G HA3 0.061 4.021 3.960 0.001 0.000 0.248 357 G C -0.987 173.951 174.900 0.064 0.000 1.248 357 G CA -0.164 44.946 45.100 0.017 0.000 0.838 357 G HN 0.020 nan 8.290 nan 0.000 0.566 358 D N 1.217 121.677 120.400 0.100 0.000 2.358 358 D HA 0.238 4.879 4.640 0.001 0.000 0.253 358 D C -0.438 175.975 176.300 0.188 0.000 1.288 358 D CA -0.520 53.558 54.000 0.131 0.000 0.950 358 D CB 0.557 41.421 40.800 0.107 0.000 1.197 358 D HN 0.018 nan 8.370 nan 0.000 0.550 359 I N 5.191 125.894 120.570 0.222 0.000 2.339 359 I HA 0.273 4.444 4.170 0.001 0.000 0.290 359 I C -1.452 174.849 176.117 0.307 0.000 0.994 359 I CA -2.580 58.904 61.300 0.307 0.000 1.191 359 I CB 1.319 39.519 38.000 0.333 0.000 1.343 359 I HN 0.136 nan 8.210 nan 0.000 0.458 360 P HA -0.148 nan 4.420 nan 0.000 0.216 360 P C 1.635 179.091 177.300 0.260 0.000 1.157 360 P CA 1.569 64.829 63.100 0.268 0.000 0.880 360 P CB 0.362 32.221 31.700 0.265 0.000 0.791 361 G N -0.612 108.362 108.800 0.290 0.000 2.440 361 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 361 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 361 G C 1.585 176.657 174.900 0.287 0.000 1.154 361 G CA 0.946 46.205 45.100 0.265 0.000 0.767 361 G HN 0.187 nan 8.290 nan 0.000 0.552 362 V N 0.214 120.329 119.914 0.334 0.000 2.407 362 V HA -0.107 4.013 4.120 0.001 0.000 0.245 362 V C 2.964 179.318 176.094 0.433 0.000 1.041 362 V CA 1.158 63.695 62.300 0.395 0.000 1.040 362 V CB -0.247 31.822 31.823 0.410 0.000 0.671 362 V HN 0.232 nan 8.190 nan 0.000 0.455 363 V N 0.608 120.720 119.914 0.329 0.000 2.287 363 V HA -0.300 3.821 4.120 0.001 0.000 0.248 363 V C 2.792 179.030 176.094 0.240 0.000 1.053 363 V CA 2.215 64.681 62.300 0.276 0.000 1.027 363 V CB -1.171 30.778 31.823 0.210 0.000 0.646 363 V HN 0.556 nan 8.190 nan 0.000 0.447 364 A N -0.482 122.461 122.820 0.205 0.000 1.917 364 A HA -0.300 4.021 4.320 0.001 0.000 0.219 364 A C 2.127 179.771 177.584 0.100 0.000 1.182 364 A CA 2.387 54.502 52.037 0.129 0.000 0.633 364 A CB -0.795 18.272 19.000 0.111 0.000 0.819 364 A HN 0.576 nan 8.150 nan 0.000 0.448 365 F N -0.742 119.195 119.950 -0.022 0.000 2.075 365 F HA -0.130 4.397 4.527 0.001 0.000 0.297 365 F C 1.926 177.575 175.800 -0.252 0.000 1.113 365 F CA 1.874 59.758 58.000 -0.193 0.000 1.218 365 F CB -0.387 38.388 39.000 -0.376 0.000 0.984 365 F HN 0.193 nan 8.300 nan 0.000 0.472 366 F N 0.582 120.518 119.950 -0.023 0.000 2.259 366 F HA 0.040 4.568 4.527 0.002 0.000 0.298 366 F C 2.591 178.309 175.800 -0.137 0.000 1.088 366 F CA 1.224 59.145 58.000 -0.131 0.000 1.358 366 F CB -1.100 37.929 39.000 0.048 0.000 1.040 366 F HN 0.087 nan 8.300 nan 0.000 0.505 367 G N -0.287 108.561 108.800 0.079 0.000 2.404 367 G HA2 -0.173 3.788 3.960 0.001 0.000 0.215 367 G HA3 -0.173 3.788 3.960 0.001 0.000 0.215 367 G C 2.058 176.922 174.900 -0.060 0.000 1.174 367 G CA 0.774 45.886 45.100 0.021 0.000 0.780 367 G HN 0.467 nan 8.290 nan 0.000 0.537 368 G N 0.685 109.417 108.800 -0.114 0.000 2.440 368 G HA2 -0.200 3.761 3.960 0.001 0.000 0.218 368 G HA3 -0.200 3.761 3.960 0.001 0.000 0.218 368 G C 1.670 176.471 174.900 -0.164 0.000 1.154 368 G CA 1.048 46.066 45.100 -0.138 0.000 0.767 368 G HN 0.417 nan 8.290 nan 0.000 0.552 369 L N 0.668 121.725 121.223 -0.276 0.000 2.162 369 L HA 0.118 4.459 4.340 0.001 0.000 0.205 369 L C 2.642 179.435 176.870 -0.128 0.000 1.086 369 L CA 1.173 55.863 54.840 -0.250 0.000 0.778 369 L CB -0.668 41.085 42.059 -0.511 0.000 0.928 369 L HN 0.144 nan 8.230 nan 0.000 0.446 370 V N 1.367 121.225 119.914 -0.093 0.000 2.358 370 V HA -0.191 3.930 4.120 0.001 0.000 0.246 370 V C 3.172 179.235 176.094 -0.051 0.000 1.047 370 V CA 1.495 63.770 62.300 -0.042 0.000 1.035 370 V CB -1.088 30.738 31.823 0.005 0.000 0.658 370 V HN 0.577 nan 8.190 nan 0.000 0.452 371 A N -0.364 122.429 122.820 -0.046 0.000 1.917 371 A HA -0.342 3.979 4.320 0.001 0.000 0.219 371 A C 2.178 179.748 177.584 -0.024 0.000 1.182 371 A CA 2.415 54.432 52.037 -0.034 0.000 0.633 371 A CB -0.578 18.403 19.000 -0.031 0.000 0.819 371 A HN 0.542 nan 8.150 nan 0.000 0.448 372 Q N -0.394 119.390 119.800 -0.026 0.000 2.119 372 Q HA -0.159 4.182 4.340 0.001 0.000 0.201 372 Q C 1.864 177.875 176.000 0.019 0.000 0.972 372 Q CA 1.853 57.660 55.803 0.006 0.000 0.847 372 Q CB -0.222 28.508 28.738 -0.013 0.000 0.903 372 Q HN 0.618 nan 8.270 nan 0.000 0.433 373 E N -0.428 119.762 120.200 -0.018 0.000 2.085 373 E HA -0.142 4.209 4.350 0.001 0.000 0.194 373 E C 2.097 178.658 176.600 -0.065 0.000 0.994 373 E CA 1.272 57.647 56.400 -0.043 0.000 0.801 373 E CB -0.576 29.076 29.700 -0.081 0.000 0.743 373 E HN 0.270 nan 8.360 nan 0.000 0.453 374 V N 1.742 121.619 119.914 -0.063 0.000 2.282 374 V HA -0.275 3.846 4.120 0.001 0.000 0.249 374 V C 2.539 178.618 176.094 -0.026 0.000 1.057 374 V CA 1.679 63.944 62.300 -0.059 0.000 1.032 374 V CB -0.612 31.183 31.823 -0.046 0.000 0.645 374 V HN 0.224 nan 8.190 nan 0.000 0.447 375 L N -0.829 120.395 121.223 0.001 0.000 2.093 375 L HA -0.184 4.157 4.340 0.001 0.000 0.208 375 L C 2.581 179.469 176.870 0.031 0.000 1.085 375 L CA 1.601 56.451 54.840 0.017 0.000 0.755 375 L CB -0.664 41.419 42.059 0.039 0.000 0.904 375 L HN 0.310 nan 8.230 nan 0.000 0.435 376 K N 0.310 120.745 120.400 0.058 0.000 2.057 376 K HA -0.135 4.186 4.320 0.001 0.000 0.207 376 K C 2.199 178.863 176.600 0.106 0.000 1.049 376 K CA 1.419 57.760 56.287 0.089 0.000 0.931 376 K CB -0.223 32.335 32.500 0.097 0.000 0.714 376 K HN 0.269 nan 8.250 nan 0.000 0.440 377 A N 0.497 123.314 122.820 -0.005 0.000 2.067 377 A HA -0.137 4.184 4.320 0.001 0.000 0.219 377 A C 2.180 179.846 177.584 0.137 0.000 1.158 377 A CA 1.148 53.168 52.037 -0.029 0.000 0.661 377 A CB -0.623 18.267 19.000 -0.184 0.000 0.801 377 A HN 0.397 nan 8.150 nan 0.000 0.452 378 C N -0.552 118.790 119.300 0.070 0.000 2.485 378 C HA 0.068 4.529 4.460 0.001 0.000 0.277 378 C C 2.959 177.963 174.990 0.023 0.000 1.376 378 C CA 1.128 60.172 59.018 0.044 0.000 1.759 378 C CB -0.649 27.094 27.740 0.006 0.000 1.970 378 C HN 0.777 nan 8.230 nan 0.000 0.509 379 S N -1.350 114.365 115.700 0.025 0.000 2.554 379 S HA 0.368 4.839 4.470 0.001 0.000 0.227 379 S C 1.502 176.057 174.600 -0.075 0.000 1.050 379 S CA 0.958 59.126 58.200 -0.053 0.000 0.927 379 S CB -0.029 63.107 63.200 -0.106 0.000 0.859 379 S HN 0.918 nan 8.310 nan 0.000 0.494 380 G N 1.348 110.167 108.800 0.032 0.000 2.153 380 G HA2 -0.293 3.668 3.960 0.001 0.000 0.252 380 G HA3 -0.293 3.668 3.960 0.001 0.000 0.252 380 G C -0.101 174.771 174.900 -0.046 0.000 0.994 380 G CA 0.532 45.610 45.100 -0.036 0.000 0.698 380 G HN 0.774 nan 8.290 nan 0.000 0.521 381 K N 0.004 120.332 120.400 -0.120 0.000 2.213 381 K HA 0.714 5.034 4.320 0.001 0.000 0.270 381 K C 0.515 176.891 176.600 -0.373 0.000 1.002 381 K CA -0.667 55.401 56.287 -0.366 0.000 0.868 381 K CB 0.156 32.303 32.500 -0.588 0.000 1.093 381 K HN 0.683 nan 8.250 nan 0.000 0.454 382 F N -0.470 119.507 119.950 0.046 0.000 2.183 382 F HA -0.252 4.275 4.527 0.001 0.000 0.318 382 F C -0.171 175.676 175.800 0.079 0.000 1.165 382 F CA -0.040 57.987 58.000 0.046 0.000 0.912 382 F CB -0.697 38.319 39.000 0.027 0.000 4.135 382 F HN 0.427 nan 8.300 nan 0.000 0.137 383 T N 3.315 118.041 114.554 0.287 0.000 2.728 383 T HA 0.400 4.751 4.350 0.001 0.000 0.296 383 T C -2.422 172.382 174.700 0.173 0.000 0.940 383 T CA -1.134 61.086 62.100 0.199 0.000 1.013 383 T CB 1.218 70.172 68.868 0.142 0.000 0.912 383 T HN 0.058 nan 8.240 nan 0.000 0.484 384 P HA 0.061 nan 4.420 nan 0.000 0.268 384 P C -0.084 177.290 177.300 0.123 0.000 1.208 384 P CA -0.527 62.646 63.100 0.121 0.000 0.777 384 P CB 0.506 32.292 31.700 0.143 0.000 0.875 385 L N 2.659 123.932 121.223 0.084 0.000 2.500 385 L HA 0.057 4.397 4.340 0.001 0.000 0.272 385 L C 0.783 177.705 176.870 0.086 0.000 1.149 385 L CA -0.154 54.738 54.840 0.086 0.000 0.897 385 L CB 0.027 42.124 42.059 0.064 0.000 1.178 385 L HN 0.180 nan 8.230 nan 0.000 0.473 386 K N 5.095 125.526 120.400 0.051 0.000 2.243 386 K HA 0.124 4.445 4.320 0.001 0.000 0.232 386 K C 0.099 176.686 176.600 -0.022 0.000 1.237 386 K CA 0.334 56.600 56.287 -0.036 0.000 1.161 386 K CB -0.149 32.278 32.500 -0.122 0.000 1.505 386 K HN 0.803 nan 8.250 nan 0.000 0.271 387 Q N -0.610 119.166 119.800 -0.040 0.000 7.126 387 Q HA -0.250 4.091 4.340 0.001 0.000 0.337 387 Q C -0.480 175.443 176.000 -0.129 0.000 1.583 387 Q CA 1.005 56.706 55.803 -0.171 0.000 0.488 387 Q CB -0.997 27.734 28.738 -0.013 0.000 0.177 387 Q HN 0.390 nan 8.270 nan 0.000 0.816 388 F N 1.318 121.359 119.950 0.152 0.000 2.469 388 F HA 0.704 5.231 4.527 -0.000 0.000 0.332 388 F C 0.203 176.126 175.800 0.206 0.000 1.103 388 F CA -0.528 57.617 58.000 0.241 0.000 0.979 388 F CB 1.837 41.063 39.000 0.376 0.000 1.137 388 F HN 0.166 nan 8.300 nan 0.000 0.463 389 M N 4.778 124.556 119.600 0.297 0.000 2.326 389 M HA 0.466 4.947 4.480 0.001 0.000 0.292 389 M C -2.044 174.264 176.300 0.014 0.000 1.081 389 M CA -0.453 54.988 55.300 0.234 0.000 0.919 389 M CB 1.699 34.427 32.600 0.213 0.000 1.634 389 M HN 0.585 nan 8.290 nan 0.000 0.451 390 Y N 3.378 123.882 120.300 0.339 0.000 2.446 390 Y HA 0.690 5.240 4.550 0.000 0.000 0.338 390 Y C -0.950 175.193 175.900 0.404 0.000 1.055 390 Y CA -0.365 57.916 58.100 0.301 0.000 1.101 390 Y CB 1.807 40.359 38.460 0.154 0.000 1.221 390 Y HN 0.631 nan 8.280 nan 0.000 0.460 391 F N 2.353 122.564 119.950 0.434 0.000 2.613 391 F HA 0.562 5.090 4.527 0.001 0.000 0.310 391 F C -1.672 174.262 175.800 0.224 0.000 1.085 391 F CA -0.804 57.353 58.000 0.262 0.000 0.945 391 F CB 1.757 40.907 39.000 0.250 0.000 1.298 391 F HN 0.641 nan 8.300 nan 0.000 0.455 392 D N 1.139 120.991 120.400 -0.914 0.000 2.661 392 D HA 0.398 5.039 4.640 0.001 0.000 0.228 392 D C -1.713 173.805 176.300 -1.303 0.000 1.210 392 D CA -0.576 52.870 54.000 -0.923 0.000 0.826 392 D CB 1.884 42.307 40.800 -0.629 0.000 1.542 392 D HN 0.364 nan 8.370 nan 0.000 0.447 393 S N 1.510 116.682 115.700 -0.880 0.000 2.474 393 S HA 0.175 4.646 4.470 0.001 0.000 0.224 393 S C 0.574 174.914 174.600 -0.434 0.000 1.209 393 S CA -0.509 57.331 58.200 -0.600 0.000 1.212 393 S CB -0.455 62.570 63.200 -0.292 0.000 1.137 393 S HN 0.456 nan 8.310 nan 0.000 0.446 394 L N 1.817 122.743 121.223 -0.494 0.000 2.129 394 L HA -0.014 4.327 4.340 0.001 0.000 0.212 394 L C 1.990 178.697 176.870 -0.272 0.000 1.087 394 L CA 1.869 56.473 54.840 -0.392 0.000 0.757 394 L CB -0.779 41.067 42.059 -0.354 0.000 0.896 394 L HN 0.426 nan 8.230 nan 0.000 0.434 395 E N -1.340 118.710 120.200 -0.249 0.000 2.396 395 E HA -0.134 4.217 4.350 0.001 0.000 0.200 395 E C 2.205 178.706 176.600 -0.166 0.000 1.023 395 E CA 0.915 57.196 56.400 -0.198 0.000 0.857 395 E CB -0.253 29.328 29.700 -0.197 0.000 0.775 395 E HN 0.333 nan 8.360 nan 0.000 0.525 396 S N 0.098 115.720 115.700 -0.130 0.000 2.453 396 S HA 0.036 4.507 4.470 0.001 0.000 0.231 396 S C 0.715 175.294 174.600 -0.036 0.000 1.005 396 S CA 0.030 58.226 58.200 -0.008 0.000 0.949 396 S CB -0.090 63.187 63.200 0.128 0.000 0.774 396 S HN 0.205 nan 8.310 nan 0.000 0.510 397 L N 3.739 124.869 121.223 -0.154 0.000 2.578 397 L HA 0.084 4.425 4.340 0.001 0.000 0.279 397 L C -1.914 174.845 176.870 -0.185 0.000 1.227 397 L CA -1.276 53.433 54.840 -0.218 0.000 0.900 397 L CB -0.157 41.759 42.059 -0.239 0.000 1.144 397 L HN 0.075 nan 8.230 nan 0.000 0.496 398 P HA -0.005 nan 4.420 nan 0.000 0.272 398 P C -0.917 176.374 177.300 -0.015 0.000 1.240 398 P CA -0.477 62.547 63.100 -0.125 0.000 0.791 398 P CB 0.533 32.111 31.700 -0.203 0.000 0.978 399 D N 1.299 121.738 120.400 0.065 0.000 2.417 399 D HA 0.049 4.690 4.640 0.001 0.000 0.250 399 D C -1.397 174.928 176.300 0.041 0.000 1.166 399 D CA -1.506 52.514 54.000 0.033 0.000 0.881 399 D CB 0.239 41.060 40.800 0.035 0.000 1.164 399 D HN 0.112 nan 8.370 nan 0.000 0.467 400 P HA -0.142 nan 4.420 nan 0.000 0.219 400 P C 0.624 177.912 177.300 -0.020 0.000 1.146 400 P CA 1.267 64.363 63.100 -0.006 0.000 0.808 400 P CB 0.198 31.885 31.700 -0.021 0.000 0.779 401 K N -1.426 118.954 120.400 -0.033 0.000 2.296 401 K HA -0.024 4.297 4.320 0.001 0.000 0.200 401 K C 1.504 178.037 176.600 -0.111 0.000 1.048 401 K CA 0.894 57.146 56.287 -0.058 0.000 0.966 401 K CB -0.145 32.326 32.500 -0.049 0.000 0.754 401 K HN 0.060 nan 8.250 nan 0.000 0.466 402 N N -0.673 117.935 118.700 -0.153 0.000 2.482 402 N HA 0.089 4.830 4.740 0.001 0.000 0.179 402 N C -0.513 174.587 175.510 -0.682 0.000 1.039 402 N CA 0.568 53.380 53.050 -0.397 0.000 0.884 402 N CB 0.596 38.832 38.487 -0.417 0.000 1.113 402 N HN -0.063 nan 8.380 nan 0.000 0.440 403 F N 1.745 121.708 119.950 0.021 0.000 2.550 403 F HA 0.399 4.927 4.527 0.001 0.000 0.348 403 F C -2.219 173.570 175.800 -0.018 0.000 1.219 403 F CA -2.149 55.869 58.000 0.030 0.000 1.203 403 F CB 1.214 40.264 39.000 0.083 0.000 1.436 403 F HN -0.184 nan 8.300 nan 0.000 0.541 404 P HA 0.049 nan 4.420 nan 0.000 0.267 404 P C -0.398 176.910 177.300 0.013 0.000 1.205 404 P CA -0.089 63.020 63.100 0.015 0.000 0.765 404 P CB 0.923 32.615 31.700 -0.014 0.000 0.828 405 R N 3.208 123.687 120.500 -0.034 0.000 2.215 405 R HA 0.328 4.669 4.340 0.001 0.000 0.336 405 R C 0.153 176.376 176.300 -0.129 0.000 0.996 405 R CA -0.247 55.803 56.100 -0.083 0.000 0.847 405 R CB 0.293 30.521 30.300 -0.120 0.000 1.127 405 R HN 0.640 nan 8.270 nan 0.000 0.465 406 N N -0.380 118.247 118.700 -0.123 0.000 3.204 406 N HA 0.097 4.838 4.740 0.001 0.000 0.285 406 N C -0.079 175.346 175.510 -0.141 0.000 1.536 406 N CA -0.924 52.033 53.050 -0.155 0.000 0.832 406 N CB 0.644 39.070 38.487 -0.103 0.000 1.645 406 N HN 0.182 nan 8.380 nan 0.000 0.586 407 E N -0.679 119.439 120.200 -0.136 0.000 2.160 407 E HA -0.235 4.116 4.350 0.001 0.000 0.195 407 E C 0.911 177.474 176.600 -0.062 0.000 0.991 407 E CA 1.248 57.585 56.400 -0.104 0.000 0.810 407 E CB -0.019 29.626 29.700 -0.090 0.000 0.742 407 E HN 0.504 nan 8.360 nan 0.000 0.466 408 K N 0.525 120.896 120.400 -0.048 0.000 2.044 408 K HA -0.038 4.283 4.320 0.001 0.000 0.204 408 K C 2.105 178.697 176.600 -0.013 0.000 1.049 408 K CA 1.394 57.666 56.287 -0.025 0.000 0.945 408 K CB -0.426 32.063 32.500 -0.018 0.000 0.724 408 K HN -0.131 nan 8.250 nan 0.000 0.440 409 T N -0.636 113.908 114.554 -0.016 0.000 2.897 409 T HA -0.090 4.261 4.350 0.001 0.000 0.271 409 T C 1.183 175.892 174.700 0.015 0.000 1.084 409 T CA 1.746 63.851 62.100 0.008 0.000 1.123 409 T CB -0.196 68.676 68.868 0.007 0.000 0.865 409 T HN 0.336 nan 8.240 nan 0.000 0.496 410 T N 0.800 115.347 114.554 -0.013 0.000 3.043 410 T HA 0.180 4.531 4.350 0.001 0.000 0.272 410 T C 0.224 174.917 174.700 -0.012 0.000 0.990 410 T CA -0.477 61.611 62.100 -0.019 0.000 0.897 410 T CB 0.199 69.023 68.868 -0.074 0.000 1.111 410 T HN 0.585 nan 8.240 nan 0.000 0.529 411 Q N 2.334 122.130 119.800 -0.005 0.000 2.340 411 Q HA 0.390 4.731 4.340 0.001 0.000 0.249 411 Q C -2.607 173.405 176.000 0.020 0.000 0.957 411 Q CA -1.991 53.812 55.803 -0.001 0.000 0.882 411 Q CB 0.201 28.936 28.738 -0.004 0.000 1.235 411 Q HN 0.068 nan 8.270 nan 0.000 0.439 412 P HA -0.078 nan 4.420 nan 0.000 0.264 412 P C 0.177 177.499 177.300 0.036 0.000 1.193 412 P CA -0.011 63.109 63.100 0.033 0.000 0.763 412 P CB 0.708 32.423 31.700 0.024 0.000 0.810 413 V N -0.993 118.951 119.914 0.050 0.000 3.085 413 V HA 0.348 4.468 4.120 0.001 0.000 0.345 413 V C 0.417 176.540 176.094 0.048 0.000 1.397 413 V CA -0.418 61.912 62.300 0.049 0.000 1.165 413 V CB -1.235 30.623 31.823 0.059 0.000 1.153 413 V HN 0.628 nan 8.190 nan 0.000 0.495 414 N N 0.714 119.438 118.700 0.041 0.000 2.725 414 N HA -0.179 4.562 4.740 0.001 0.000 0.256 414 N C -0.488 175.042 175.510 0.032 0.000 1.087 414 N CA 1.095 54.164 53.050 0.031 0.000 0.690 414 N CB -1.326 37.176 38.487 0.026 0.000 0.891 414 N HN 1.241 nan 8.380 nan 0.000 0.553 415 S N 0.053 115.772 115.700 0.031 0.000 2.537 415 S HA 0.503 4.974 4.470 0.001 0.000 0.270 415 S C 1.070 175.634 174.600 -0.061 0.000 1.142 415 S CA -0.177 58.031 58.200 0.014 0.000 0.870 415 S CB 1.314 64.588 63.200 0.123 0.000 1.112 415 S HN 0.441 nan 8.310 nan 0.000 0.466 416 R N 1.806 122.168 120.500 -0.230 0.000 2.249 416 R HA -0.107 4.234 4.340 0.001 0.000 0.230 416 R C 0.117 176.251 176.300 -0.275 0.000 1.121 416 R CA 1.672 57.588 56.100 -0.307 0.000 0.997 416 R CB -0.702 29.325 30.300 -0.455 0.000 0.867 416 R HN 0.794 nan 8.270 nan 0.000 0.465 417 Y N 1.365 121.708 120.300 0.072 0.000 2.468 417 Y HA 0.090 4.641 4.550 0.001 0.000 0.268 417 Y C 1.130 177.082 175.900 0.087 0.000 1.177 417 Y CA -0.085 58.067 58.100 0.087 0.000 1.265 417 Y CB 0.276 38.785 38.460 0.082 0.000 1.103 417 Y HN 0.277 nan 8.280 nan 0.000 0.522 418 D N -0.953 119.545 120.400 0.163 0.000 2.323 418 D HA -0.122 4.519 4.640 0.001 0.000 0.209 418 D C 0.751 177.115 176.300 0.106 0.000 0.973 418 D CA 0.733 54.812 54.000 0.132 0.000 0.874 418 D CB -0.671 40.185 40.800 0.093 0.000 0.930 418 D HN 0.305 nan 8.370 nan 0.000 0.521 419 N N -0.343 118.420 118.700 0.105 0.000 2.515 419 N HA -0.021 4.720 4.740 0.001 0.000 0.185 419 N C 1.461 177.053 175.510 0.137 0.000 1.109 419 N CA 0.228 53.334 53.050 0.095 0.000 0.903 419 N CB 0.133 38.669 38.487 0.082 0.000 0.969 419 N HN 0.271 nan 8.380 nan 0.000 0.450 420 Q N 0.338 120.261 119.800 0.205 0.000 2.204 420 Q HA 0.127 4.468 4.340 0.001 0.000 0.198 420 Q C 1.819 177.986 176.000 0.279 0.000 0.946 420 Q CA 0.515 56.492 55.803 0.289 0.000 0.859 420 Q CB 0.298 29.247 28.738 0.352 0.000 0.946 420 Q HN 0.352 nan 8.270 nan 0.000 0.474 421 I N 0.990 121.688 120.570 0.213 0.000 2.264 421 I HA -0.307 3.864 4.170 0.001 0.000 0.248 421 I C 2.369 178.533 176.117 0.078 0.000 1.111 421 I CA 0.933 62.329 61.300 0.160 0.000 1.382 421 I CB -0.380 37.701 38.000 0.134 0.000 1.060 421 I HN 0.175 nan 8.210 nan 0.000 0.418 422 A N 0.269 123.119 122.820 0.050 0.000 1.971 422 A HA -0.217 4.104 4.320 0.001 0.000 0.222 422 A C 2.373 179.902 177.584 -0.092 0.000 1.182 422 A CA 2.495 54.523 52.037 -0.016 0.000 0.649 422 A CB -0.899 18.097 19.000 -0.007 0.000 0.818 422 A HN 0.307 nan 8.150 nan 0.000 0.458 423 V N -2.939 116.885 119.914 -0.149 0.000 2.575 423 V HA 0.022 4.143 4.120 0.001 0.000 0.242 423 V C 1.938 177.709 176.094 -0.538 0.000 1.045 423 V CA 1.436 63.481 62.300 -0.425 0.000 1.065 423 V CB -0.596 30.790 31.823 -0.729 0.000 0.717 423 V HN 0.553 nan 8.190 nan 0.000 0.467 424 F N 0.293 120.158 119.950 -0.142 0.000 2.717 424 F HA 0.579 5.107 4.527 0.002 0.000 0.295 424 F C 1.339 177.081 175.800 -0.096 0.000 1.117 424 F CA 0.704 58.565 58.000 -0.232 0.000 1.361 424 F CB 0.419 39.311 39.000 -0.180 0.000 1.112 424 F HN 0.280 nan 8.300 nan 0.000 0.594 425 G N 0.851 109.731 108.800 0.134 0.000 2.692 425 G HA2 -0.225 3.736 3.960 0.001 0.000 0.686 425 G HA3 -0.225 3.736 3.960 0.001 0.000 0.686 425 G C 0.121 175.125 174.900 0.173 0.000 1.243 425 G CA -0.348 44.831 45.100 0.132 0.000 0.782 425 G HN 0.200 nan 8.290 nan 0.000 0.625 426 L N 0.493 121.794 121.223 0.131 0.000 1.989 426 L HA 0.013 4.354 4.340 0.001 0.000 0.211 426 L C 2.531 179.472 176.870 0.118 0.000 1.071 426 L CA 3.021 57.928 54.840 0.111 0.000 0.749 426 L CB -0.399 41.711 42.059 0.084 0.000 0.890 426 L HN 0.695 nan 8.230 nan 0.000 0.431 427 D N -0.934 119.574 120.400 0.180 0.000 2.123 427 D HA -0.259 4.382 4.640 0.001 0.000 0.196 427 D C 1.990 178.404 176.300 0.190 0.000 0.992 427 D CA 1.631 55.775 54.000 0.240 0.000 0.833 427 D CB -0.324 40.706 40.800 0.382 0.000 0.954 427 D HN 0.409 nan 8.370 nan 0.000 0.455 428 F N 1.407 121.305 119.950 -0.087 0.000 2.075 428 F HA -0.208 4.319 4.527 0.002 0.000 0.297 428 F C 2.528 178.141 175.800 -0.311 0.000 1.113 428 F CA 1.355 59.026 58.000 -0.549 0.000 1.218 428 F CB -0.323 38.324 39.000 -0.587 0.000 0.984 428 F HN -0.194 nan 8.300 nan 0.000 0.472 429 Q N 0.774 120.543 119.800 -0.052 0.000 2.152 429 Q HA -0.261 4.079 4.340 0.001 0.000 0.206 429 Q C 2.096 177.952 176.000 -0.241 0.000 0.985 429 Q CA 1.974 57.692 55.803 -0.143 0.000 0.863 429 Q CB -0.310 28.428 28.738 -0.001 0.000 0.904 429 Q HN 0.244 nan 8.270 nan 0.000 0.422 430 K N -0.022 120.284 120.400 -0.157 0.000 2.057 430 K HA -0.083 4.238 4.320 0.001 0.000 0.206 430 K C 1.818 178.306 176.600 -0.186 0.000 1.050 430 K CA 1.313 57.516 56.287 -0.141 0.000 0.935 430 K CB -0.124 32.348 32.500 -0.048 0.000 0.715 430 K HN 0.123 nan 8.250 nan 0.000 0.439 431 K N 0.161 120.420 120.400 -0.235 0.000 2.147 431 K HA -0.061 4.260 4.320 0.001 0.000 0.205 431 K C 1.846 178.238 176.600 -0.347 0.000 1.049 431 K CA 1.116 57.247 56.287 -0.261 0.000 0.936 431 K CB -0.043 32.288 32.500 -0.283 0.000 0.722 431 K HN 0.095 nan 8.250 nan 0.000 0.446 432 I N 0.652 120.943 120.570 -0.465 0.000 2.202 432 I HA -0.253 3.917 4.170 0.001 0.000 0.242 432 I C 2.356 178.286 176.117 -0.311 0.000 1.091 432 I CA 1.153 62.204 61.300 -0.414 0.000 1.368 432 I CB -0.281 37.455 38.000 -0.439 0.000 1.058 432 I HN 0.217 nan 8.210 nan 0.000 0.410 433 A N 0.563 123.211 122.820 -0.287 0.000 1.933 433 A HA -0.187 4.134 4.320 0.001 0.000 0.218 433 A C 1.865 179.329 177.584 -0.201 0.000 1.175 433 A CA 1.668 53.563 52.037 -0.235 0.000 0.628 433 A CB -0.557 18.309 19.000 -0.224 0.000 0.814 433 A HN 0.442 nan 8.150 nan 0.000 0.444 434 N N 0.591 119.173 118.700 -0.197 0.000 2.383 434 N HA 0.041 4.782 4.740 0.001 0.000 0.192 434 N C -0.193 175.181 175.510 -0.226 0.000 1.141 434 N CA 0.188 53.131 53.050 -0.178 0.000 0.851 434 N CB 0.052 38.462 38.487 -0.129 0.000 0.976 434 N HN 0.293 nan 8.380 nan 0.000 0.465 435 S N 0.970 116.516 115.700 -0.258 0.000 2.572 435 S HA 0.154 4.625 4.470 0.001 0.000 0.279 435 S C 0.429 174.743 174.600 -0.478 0.000 1.341 435 S CA 0.036 58.058 58.200 -0.297 0.000 1.043 435 S CB 1.040 64.097 63.200 -0.239 0.000 0.887 435 S HN 0.103 nan 8.310 nan 0.000 0.516 436 K N 2.124 122.180 120.400 -0.572 0.000 2.367 436 K HA 0.503 4.824 4.320 0.001 0.000 0.263 436 K C -0.624 175.558 176.600 -0.698 0.000 1.000 436 K CA -0.619 55.159 56.287 -0.849 0.000 0.891 436 K CB 1.170 33.062 32.500 -1.014 0.000 1.117 436 K HN 0.457 nan 8.250 nan 0.000 0.443 437 V N -0.256 119.284 119.914 -0.623 0.000 2.864 437 V HA 0.619 4.740 4.120 0.001 0.000 0.314 437 V C -1.068 174.965 176.094 -0.101 0.000 1.073 437 V CA -1.016 60.923 62.300 -0.601 0.000 0.956 437 V CB 1.637 32.850 31.823 -1.018 0.000 1.023 437 V HN 0.565 nan 8.190 nan 0.000 0.435 438 F N 4.238 124.063 119.950 -0.208 0.000 2.449 438 F HA 0.673 5.201 4.527 0.002 0.000 0.342 438 F C -0.672 175.190 175.800 0.104 0.000 1.127 438 F CA -1.920 56.057 58.000 -0.038 0.000 0.975 438 F CB 1.542 40.455 39.000 -0.144 0.000 1.146 438 F HN 0.643 nan 8.300 nan 0.000 0.444 439 L N 7.387 128.700 121.223 0.151 0.000 2.280 439 L HA 0.491 4.832 4.340 0.001 0.000 0.287 439 L C -1.270 175.370 176.870 -0.383 0.000 1.023 439 L CA -0.686 54.120 54.840 -0.058 0.000 0.819 439 L CB 1.419 43.499 42.059 0.035 0.000 1.212 439 L HN 0.319 nan 8.230 nan 0.000 0.420 440 V N 4.467 124.093 119.914 -0.480 0.000 2.277 440 V HA 0.749 4.870 4.120 0.001 0.000 0.269 440 V C 0.433 176.391 176.094 -0.226 0.000 1.036 440 V CA -0.165 61.837 62.300 -0.497 0.000 0.821 440 V CB 0.411 31.931 31.823 -0.505 0.000 1.052 440 V HN 1.021 nan 8.190 nan 0.000 0.462 441 G N 3.292 112.004 108.800 -0.147 0.000 2.697 441 G HA2 0.092 4.053 3.960 0.001 0.000 0.684 441 G HA3 0.092 4.053 3.960 0.001 0.000 0.684 441 G C -0.249 174.619 174.900 -0.054 0.000 1.274 441 G CA -0.149 44.905 45.100 -0.077 0.000 0.806 441 G HN 0.817 nan 8.290 nan 0.000 0.644 442 S N 0.721 116.421 115.700 -0.001 0.000 2.901 442 S HA 0.587 5.058 4.470 0.001 0.000 0.248 442 S C 1.224 175.885 174.600 0.101 0.000 1.021 442 S CA 1.010 59.232 58.200 0.037 0.000 1.090 442 S CB -0.610 62.642 63.200 0.088 0.000 1.039 442 S HN 1.760 nan 8.310 nan 0.000 0.514 443 G N 1.291 110.121 108.800 0.049 0.000 2.975 443 G HA2 0.561 4.521 3.960 0.001 0.000 0.159 443 G HA3 0.561 4.521 3.960 0.001 0.000 0.159 443 G C 1.323 176.219 174.900 -0.008 0.000 1.525 443 G CA 0.233 45.377 45.100 0.073 0.000 1.075 443 G HN 0.514 nan 8.290 nan 0.000 0.574 444 A N -0.466 122.352 122.820 -0.003 0.000 1.845 444 A HA -0.004 4.317 4.320 0.001 0.000 0.215 444 A C 2.454 180.005 177.584 -0.054 0.000 1.195 444 A CA 1.720 53.742 52.037 -0.025 0.000 0.616 444 A CB -0.640 18.364 19.000 0.007 0.000 0.832 444 A HN 0.438 nan 8.150 nan 0.000 0.443 445 I N -0.333 120.206 120.570 -0.052 0.000 2.252 445 I HA -0.164 4.007 4.170 0.001 0.000 0.245 445 I C 2.704 178.737 176.117 -0.141 0.000 1.102 445 I CA 0.939 62.190 61.300 -0.082 0.000 1.385 445 I CB -0.631 37.332 38.000 -0.063 0.000 1.064 445 I HN 0.413 nan 8.210 nan 0.000 0.414 446 G N 0.348 109.067 108.800 -0.134 0.000 2.553 446 G HA2 -0.318 3.643 3.960 0.001 0.000 0.218 446 G HA3 -0.318 3.643 3.960 0.001 0.000 0.218 446 G C 1.719 176.492 174.900 -0.212 0.000 1.195 446 G CA 1.300 46.295 45.100 -0.175 0.000 0.779 446 G HN 0.425 nan 8.290 nan 0.000 0.577 447 C N 0.217 119.395 119.300 -0.202 0.000 2.413 447 C HA -0.021 4.439 4.460 0.001 0.000 0.276 447 C C 2.846 177.735 174.990 -0.168 0.000 1.236 447 C CA 1.067 59.918 59.018 -0.278 0.000 1.735 447 C CB -0.713 26.765 27.740 -0.437 0.000 2.031 447 C HN 0.477 nan 8.230 nan 0.000 0.474 448 E N 0.033 120.177 120.200 -0.093 0.000 2.110 448 E HA -0.202 4.149 4.350 0.001 0.000 0.193 448 E C 1.924 178.420 176.600 -0.173 0.000 0.988 448 E CA 1.174 57.534 56.400 -0.067 0.000 0.804 448 E CB -0.450 29.203 29.700 -0.078 0.000 0.745 448 E HN 0.663 nan 8.360 nan 0.000 0.458 449 M N 0.184 119.605 119.600 -0.298 0.000 2.064 449 M HA -0.123 4.358 4.480 0.001 0.000 0.260 449 M C 1.946 177.826 176.300 -0.701 0.000 1.073 449 M CA 0.925 55.879 55.300 -0.577 0.000 1.124 449 M CB -0.295 31.866 32.600 -0.730 0.000 1.326 449 M HN 0.031 nan 8.290 nan 0.000 0.410 450 L N 0.716 121.640 121.223 -0.498 0.000 2.089 450 L HA -0.275 4.066 4.340 0.001 0.000 0.213 450 L C 2.395 179.222 176.870 -0.073 0.000 1.079 450 L CA 1.843 56.545 54.840 -0.229 0.000 0.758 450 L CB -1.440 40.538 42.059 -0.135 0.000 0.891 450 L HN 0.409 nan 8.230 nan 0.000 0.433 451 K N -0.290 120.043 120.400 -0.110 0.000 2.026 451 K HA -0.160 4.161 4.320 0.001 0.000 0.208 451 K C 1.829 178.464 176.600 0.058 0.000 1.048 451 K CA 1.330 57.599 56.287 -0.030 0.000 0.929 451 K CB -0.204 32.269 32.500 -0.044 0.000 0.713 451 K HN 0.457 nan 8.250 nan 0.000 0.439 452 N N -0.178 118.537 118.700 0.024 0.000 2.104 452 N HA -0.182 4.559 4.740 0.001 0.000 0.190 452 N C 1.706 177.405 175.510 0.316 0.000 1.024 452 N CA 1.377 54.512 53.050 0.142 0.000 0.853 452 N CB -0.172 38.371 38.487 0.094 0.000 1.008 452 N HN 0.298 nan 8.380 nan 0.000 0.424 453 W N 1.398 122.725 121.300 0.046 0.000 2.358 453 W HA 0.052 4.712 4.660 0.001 0.000 0.303 453 W C 2.605 179.166 176.519 0.070 0.000 1.208 453 W CA 0.429 57.798 57.345 0.041 0.000 1.274 453 W CB -1.246 28.227 29.460 0.023 0.000 1.138 453 W HN 0.066 nan 8.180 nan 0.000 0.515 454 A N 0.170 123.171 122.820 0.302 0.000 1.908 454 A HA -0.187 4.134 4.320 0.001 0.000 0.218 454 A C 2.144 179.887 177.584 0.265 0.000 1.181 454 A CA 1.906 54.085 52.037 0.237 0.000 0.627 454 A CB -1.008 18.102 19.000 0.183 0.000 0.818 454 A HN 0.277 nan 8.150 nan 0.000 0.445 455 L N -1.303 120.080 121.223 0.268 0.000 2.179 455 L HA -0.062 4.279 4.340 0.001 0.000 0.208 455 L C 2.150 179.224 176.870 0.341 0.000 1.096 455 L CA 0.189 55.200 54.840 0.285 0.000 0.779 455 L CB -0.361 41.854 42.059 0.260 0.000 0.922 455 L HN 0.240 nan 8.230 nan 0.000 0.443 456 L N 0.282 121.672 121.223 0.277 0.000 2.275 456 L HA 0.012 4.353 4.340 0.001 0.000 0.215 456 L C 1.750 178.662 176.870 0.070 0.000 1.119 456 L CA 1.492 56.441 54.840 0.183 0.000 0.790 456 L CB -1.464 40.653 42.059 0.096 0.000 0.919 456 L HN 0.437 nan 8.230 nan 0.000 0.443 457 G N -0.236 108.667 108.800 0.172 0.000 2.179 457 G HA2 -0.322 3.639 3.960 0.001 0.000 0.257 457 G HA3 -0.322 3.639 3.960 0.001 0.000 0.257 457 G C 0.434 175.273 174.900 -0.101 0.000 1.010 457 G CA 0.497 45.601 45.100 0.007 0.000 0.736 457 G HN 0.366 nan 8.290 nan 0.000 0.513 458 L N -0.157 121.020 121.223 -0.077 0.000 2.462 458 L HA 0.483 4.824 4.340 0.001 0.000 0.272 458 L C 1.637 178.405 176.870 -0.170 0.000 1.166 458 L CA 1.569 56.283 54.840 -0.209 0.000 0.880 458 L CB 0.356 42.186 42.059 -0.381 0.000 1.142 458 L HN 1.329 nan 8.230 nan 0.000 0.473 459 G N 2.162 110.836 108.800 -0.210 0.000 2.205 459 G HA2 -0.329 3.632 3.960 0.001 0.000 0.261 459 G HA3 -0.329 3.632 3.960 0.001 0.000 0.261 459 G C 0.340 175.202 174.900 -0.063 0.000 0.980 459 G CA 0.391 45.399 45.100 -0.153 0.000 0.632 459 G HN 1.014 nan 8.290 nan 0.000 0.533 460 S N 0.045 115.713 115.700 -0.053 0.000 2.617 460 S HA 0.668 5.139 4.470 0.001 0.000 0.259 460 S C 0.991 175.565 174.600 -0.044 0.000 1.301 460 S CA 0.723 58.914 58.200 -0.015 0.000 0.984 460 S CB 1.536 64.746 63.200 0.016 0.000 0.954 460 S HN 2.417 nan 8.310 nan 0.000 0.572 461 G N 0.400 109.191 108.800 -0.015 0.000 2.764 461 G HA2 -0.115 3.846 3.960 0.001 0.000 0.686 461 G HA3 -0.115 3.846 3.960 0.001 0.000 0.686 461 G C 0.557 175.444 174.900 -0.022 0.000 1.258 461 G CA 0.081 45.165 45.100 -0.026 0.000 0.846 461 G HN 1.891 nan 8.290 nan 0.000 0.596 462 S N 0.271 115.965 115.700 -0.010 0.000 2.402 462 S HA -0.164 4.307 4.470 0.001 0.000 0.233 462 S C 1.399 175.998 174.600 -0.001 0.000 1.030 462 S CA 2.150 60.351 58.200 0.002 0.000 1.003 462 S CB 0.003 63.205 63.200 0.004 0.000 0.813 462 S HN 0.637 nan 8.310 nan 0.000 0.477 463 D N 1.633 122.014 120.400 -0.033 0.000 2.354 463 D HA 0.295 4.936 4.640 0.001 0.000 0.209 463 D C 0.959 177.184 176.300 -0.126 0.000 1.015 463 D CA 0.584 54.550 54.000 -0.056 0.000 0.867 463 D CB 0.104 40.864 40.800 -0.066 0.000 0.933 463 D HN 0.532 nan 8.370 nan 0.000 0.520 464 G N -0.524 108.194 108.800 -0.137 0.000 2.601 464 G HA2 0.558 4.519 3.960 0.001 0.000 0.317 464 G HA3 0.558 4.519 3.960 0.001 0.000 0.317 464 G C -1.074 173.734 174.900 -0.154 0.000 1.246 464 G CA -0.522 44.419 45.100 -0.266 0.000 1.012 464 G HN 0.086 nan 8.290 nan 0.000 0.494 465 Y N -2.877 117.341 120.300 -0.136 0.000 2.889 465 Y HA 0.599 5.149 4.550 0.001 0.000 0.379 465 Y C -1.704 174.123 175.900 -0.122 0.000 1.179 465 Y CA -1.886 56.153 58.100 -0.102 0.000 1.178 465 Y CB 0.427 38.839 38.460 -0.079 0.000 1.460 465 Y HN 0.561 nan 8.280 nan 0.000 0.472 466 I N 2.181 122.929 120.570 0.296 0.000 2.465 466 I HA 0.649 4.820 4.170 0.001 0.000 0.291 466 I C -1.083 175.199 176.117 0.275 0.000 1.014 466 I CA -1.320 60.122 61.300 0.237 0.000 1.093 466 I CB 2.135 40.274 38.000 0.232 0.000 1.267 466 I HN 0.497 nan 8.210 nan 0.000 0.431 467 V N 6.670 126.774 119.914 0.316 0.000 2.448 467 V HA 0.492 4.613 4.120 0.001 0.000 0.295 467 V C -0.254 176.117 176.094 0.461 0.000 1.025 467 V CA -0.672 61.832 62.300 0.341 0.000 0.859 467 V CB 1.928 33.939 31.823 0.313 0.000 0.988 467 V HN 0.420 nan 8.190 nan 0.000 0.431 468 V N 3.264 123.376 119.914 0.330 0.000 2.540 468 V HA 0.797 4.918 4.120 0.001 0.000 0.302 468 V C 0.099 176.335 176.094 0.237 0.000 1.035 468 V CA -0.479 61.962 62.300 0.235 0.000 0.873 468 V CB 1.896 33.799 31.823 0.135 0.000 0.992 468 V HN 0.991 nan 8.190 nan 0.000 0.428 469 T N -0.380 114.280 114.554 0.177 0.000 2.907 469 T HA 0.817 5.168 4.350 0.001 0.000 0.292 469 T C -1.335 173.400 174.700 0.059 0.000 1.043 469 T CA -0.563 61.637 62.100 0.167 0.000 1.003 469 T CB 2.476 71.515 68.868 0.285 0.000 1.084 469 T HN 0.765 nan 8.240 nan 0.000 0.483 470 D N 0.854 121.292 120.400 0.064 0.000 2.711 470 D HA 0.121 4.762 4.640 0.001 0.000 0.204 470 D C -0.082 176.235 176.300 0.028 0.000 1.257 470 D CA -0.405 53.613 54.000 0.030 0.000 0.808 470 D CB 1.485 42.299 40.800 0.024 0.000 1.780 470 D HN 0.635 nan 8.370 nan 0.000 0.537 471 N N 1.690 120.402 118.700 0.021 0.000 2.412 471 N HA -0.037 4.704 4.740 0.001 0.000 0.184 471 N C -0.303 175.202 175.510 -0.008 0.000 1.101 471 N CA 0.087 53.144 53.050 0.011 0.000 0.881 471 N CB 0.335 38.831 38.487 0.015 0.000 0.969 471 N HN 0.219 nan 8.380 nan 0.000 0.459 472 D N 1.240 121.634 120.400 -0.011 0.000 2.345 472 D HA 0.089 4.730 4.640 0.001 0.000 0.247 472 D C 0.395 176.661 176.300 -0.057 0.000 1.108 472 D CA 0.007 53.991 54.000 -0.026 0.000 0.894 472 D CB 1.526 42.318 40.800 -0.014 0.000 1.203 472 D HN 0.342 nan 8.370 nan 0.000 0.430 473 S N 0.841 116.498 115.700 -0.071 0.000 2.693 473 S HA 0.478 4.949 4.470 0.001 0.000 0.276 473 S C 0.343 174.854 174.600 -0.148 0.000 1.192 473 S CA -0.879 57.252 58.200 -0.116 0.000 0.994 473 S CB 0.711 63.855 63.200 -0.095 0.000 1.012 473 S HN 0.334 nan 8.310 nan 0.000 0.550 474 I N 1.686 122.115 120.570 -0.235 0.000 2.452 474 I HA 0.199 4.370 4.170 0.001 0.000 0.287 474 I C 0.624 176.668 176.117 -0.122 0.000 1.079 474 I CA 0.267 61.406 61.300 -0.269 0.000 1.387 474 I CB 0.291 37.984 38.000 -0.511 0.000 1.404 474 I HN 0.673 nan 8.210 nan 0.000 0.522 475 E N 5.659 125.828 120.200 -0.051 0.000 2.222 475 E HA 0.218 4.569 4.350 0.001 0.000 0.272 475 E C 0.598 177.203 176.600 0.008 0.000 0.982 475 E CA -0.848 55.539 56.400 -0.021 0.000 0.842 475 E CB 1.648 31.343 29.700 -0.009 0.000 1.144 475 E HN 0.379 nan 8.360 nan 0.000 0.397 476 K N 1.052 121.450 120.400 -0.003 0.000 2.063 476 K HA -0.153 4.168 4.320 0.001 0.000 0.208 476 K C 1.753 178.360 176.600 0.013 0.000 1.048 476 K CA 1.842 58.131 56.287 0.004 0.000 0.928 476 K CB -0.286 32.208 32.500 -0.010 0.000 0.713 476 K HN 0.551 nan 8.250 nan 0.000 0.442 477 S N 0.810 116.518 115.700 0.014 0.000 2.537 477 S HA -0.065 4.406 4.470 0.001 0.000 0.240 477 S C 1.225 175.856 174.600 0.051 0.000 0.981 477 S CA 0.913 59.128 58.200 0.025 0.000 0.948 477 S CB -0.206 63.015 63.200 0.036 0.000 0.759 477 S HN 0.254 nan 8.310 nan 0.000 0.531 478 N N 1.432 120.174 118.700 0.071 0.000 2.405 478 N HA 0.278 5.019 4.740 0.001 0.000 0.175 478 N C 1.468 177.052 175.510 0.123 0.000 1.051 478 N CA 0.367 53.483 53.050 0.110 0.000 0.899 478 N CB -0.457 38.124 38.487 0.157 0.000 1.000 478 N HN 0.382 nan 8.380 nan 0.000 0.451 479 L N 1.154 122.444 121.223 0.111 0.000 2.081 479 L HA -0.165 4.176 4.340 0.001 0.000 0.212 479 L C 2.112 179.034 176.870 0.088 0.000 1.080 479 L CA 1.037 55.944 54.840 0.113 0.000 0.754 479 L CB -0.640 41.470 42.059 0.085 0.000 0.893 479 L HN 0.291 nan 8.230 nan 0.000 0.433 480 N N 1.301 120.039 118.700 0.063 0.000 2.322 480 N HA -0.234 4.507 4.740 0.001 0.000 0.189 480 N C 1.695 177.264 175.510 0.099 0.000 1.012 480 N CA 1.642 54.741 53.050 0.082 0.000 0.880 480 N CB 0.211 38.746 38.487 0.081 0.000 0.967 480 N HN 0.552 nan 8.380 nan 0.000 0.439 481 R N -0.955 119.595 120.500 0.084 0.000 2.539 481 R HA 0.168 4.509 4.340 0.001 0.000 0.342 481 R C -0.322 176.005 176.300 0.046 0.000 0.941 481 R CA -0.268 55.872 56.100 0.067 0.000 1.146 481 R CB 0.053 30.390 30.300 0.061 0.000 1.541 481 R HN 0.066 nan 8.270 nan 0.000 0.525 482 Q N 1.734 121.544 119.800 0.016 0.000 2.706 482 Q HA 0.187 4.528 4.340 0.001 0.000 0.250 482 Q C -0.279 175.540 176.000 -0.302 0.000 1.120 482 Q CA -0.538 55.161 55.803 -0.173 0.000 0.972 482 Q CB 0.693 29.336 28.738 -0.158 0.000 1.173 482 Q HN 0.418 nan 8.270 nan 0.000 0.522 483 F N -0.848 118.918 119.950 -0.307 0.000 2.748 483 F HA 0.097 4.625 4.527 0.002 0.000 0.299 483 F C 0.665 176.339 175.800 -0.210 0.000 1.154 483 F CA 0.285 58.169 58.000 -0.193 0.000 1.446 483 F CB 0.100 39.013 39.000 -0.146 0.000 1.112 483 F HN 0.261 nan 8.300 nan 0.000 0.584 484 L N 0.075 120.601 121.223 -1.161 0.000 2.610 484 L HA 0.127 4.468 4.340 0.001 0.000 0.232 484 L C -0.147 176.539 176.870 -0.307 0.000 1.149 484 L CA 0.191 54.507 54.840 -0.872 0.000 0.872 484 L CB -0.609 40.937 42.059 -0.855 0.000 0.992 484 L HN 0.132 nan 8.230 nan 0.000 0.447 485 F N -0.898 118.972 119.950 -0.134 0.000 2.507 485 F HA 0.572 5.100 4.527 0.002 0.000 0.327 485 F C 0.459 176.248 175.800 -0.018 0.000 1.068 485 F CA -1.206 56.757 58.000 -0.062 0.000 0.965 485 F CB 1.461 40.433 39.000 -0.047 0.000 1.192 485 F HN -0.256 nan 8.300 nan 0.000 0.476 486 R N 1.579 122.195 120.500 0.194 0.000 2.803 486 R HA 0.423 4.764 4.340 0.001 0.000 0.276 486 R C -2.066 174.278 176.300 0.074 0.000 0.978 486 R CA -1.997 54.168 56.100 0.108 0.000 0.939 486 R CB 1.500 31.846 30.300 0.076 0.000 1.179 486 R HN 0.130 nan 8.270 nan 0.000 0.472 487 P HA -0.232 nan 4.420 nan 0.000 0.217 487 P C -0.102 177.201 177.300 0.006 0.000 1.148 487 P CA 1.652 64.765 63.100 0.022 0.000 0.834 487 P CB 0.150 31.855 31.700 0.008 0.000 0.783 488 K N -1.525 118.880 120.400 0.007 0.000 2.504 488 K HA -0.032 4.289 4.320 0.001 0.000 0.195 488 K C 0.702 177.293 176.600 -0.016 0.000 1.036 488 K CA 1.107 57.391 56.287 -0.005 0.000 0.984 488 K CB -0.377 32.122 32.500 -0.001 0.000 0.788 488 K HN 0.052 nan 8.250 nan 0.000 0.488 489 D N 1.018 121.407 120.400 -0.017 0.000 2.360 489 D HA 0.036 4.677 4.640 0.001 0.000 0.210 489 D C -0.051 176.189 176.300 -0.100 0.000 1.047 489 D CA -0.033 53.934 54.000 -0.055 0.000 0.854 489 D CB 0.325 41.095 40.800 -0.051 0.000 0.936 489 D HN -0.057 nan 8.370 nan 0.000 0.514 490 V N 0.664 120.535 119.914 -0.071 0.000 2.617 490 V HA 0.282 4.403 4.120 0.001 0.000 0.304 490 V C 1.732 177.775 176.094 -0.085 0.000 1.040 490 V CA 1.485 63.736 62.300 -0.081 0.000 1.149 490 V CB 0.636 32.431 31.823 -0.046 0.000 0.914 490 V HN 0.531 nan 8.190 nan 0.000 0.487 491 G N 4.119 112.858 108.800 -0.102 0.000 2.234 491 G HA2 -0.209 3.752 3.960 0.001 0.000 0.235 491 G HA3 -0.209 3.752 3.960 0.001 0.000 0.235 491 G C 0.310 175.151 174.900 -0.098 0.000 0.997 491 G CA 0.145 45.193 45.100 -0.086 0.000 0.623 491 G HN 0.602 nan 8.290 nan 0.000 0.514 492 K N 0.754 121.078 120.400 -0.127 0.000 2.107 492 K HA 0.393 4.714 4.320 0.001 0.000 0.251 492 K C -0.003 176.491 176.600 -0.176 0.000 1.012 492 K CA -0.690 55.517 56.287 -0.133 0.000 0.920 492 K CB 0.280 32.700 32.500 -0.133 0.000 1.033 492 K HN 0.145 nan 8.250 nan 0.000 0.478 493 N N 2.206 120.820 118.700 -0.142 0.000 2.497 493 N HA 0.008 4.749 4.740 0.001 0.000 0.271 493 N C 0.632 176.026 175.510 -0.194 0.000 1.142 493 N CA 0.162 53.131 53.050 -0.136 0.000 0.965 493 N CB 1.121 39.564 38.487 -0.073 0.000 1.077 493 N HN 0.427 nan 8.380 nan 0.000 0.462 494 K N 1.007 121.276 120.400 -0.219 0.000 2.020 494 K HA -0.186 4.135 4.320 0.001 0.000 0.212 494 K C 1.865 178.459 176.600 -0.010 0.000 1.050 494 K CA 1.940 58.077 56.287 -0.249 0.000 0.929 494 K CB -0.101 32.364 32.500 -0.058 0.000 0.714 494 K HN 0.613 nan 8.250 nan 0.000 0.443 495 S N 0.918 116.630 115.700 0.021 0.000 2.387 495 S HA -0.130 4.341 4.470 0.001 0.000 0.226 495 S C 1.867 176.501 174.600 0.057 0.000 1.026 495 S CA 0.955 59.194 58.200 0.065 0.000 0.972 495 S CB -0.217 63.020 63.200 0.061 0.000 0.814 495 S HN 0.302 nan 8.310 nan 0.000 0.477 496 E N 0.969 121.180 120.200 0.018 0.000 2.051 496 E HA -0.063 4.288 4.350 0.001 0.000 0.192 496 E C 2.158 178.773 176.600 0.025 0.000 0.991 496 E CA 1.315 57.724 56.400 0.015 0.000 0.799 496 E CB -0.358 29.335 29.700 -0.011 0.000 0.748 496 E HN 0.385 nan 8.360 nan 0.000 0.449 497 V N 1.267 121.185 119.914 0.007 0.000 2.427 497 V HA -0.246 3.875 4.120 0.001 0.000 0.248 497 V C 2.261 178.446 176.094 0.152 0.000 1.051 497 V CA 1.773 64.102 62.300 0.048 0.000 1.048 497 V CB -0.624 31.171 31.823 -0.046 0.000 0.666 497 V HN 0.317 nan 8.190 nan 0.000 0.456 498 A N -0.101 122.857 122.820 0.230 0.000 1.930 498 A HA -0.022 4.299 4.320 0.001 0.000 0.217 498 A C 2.407 180.027 177.584 0.059 0.000 1.175 498 A CA 1.855 53.987 52.037 0.158 0.000 0.627 498 A CB -0.636 18.458 19.000 0.157 0.000 0.815 498 A HN 0.536 nan 8.150 nan 0.000 0.443 499 A N -0.405 122.457 122.820 0.070 0.000 1.855 499 A HA -0.137 4.184 4.320 0.001 0.000 0.215 499 A C 1.962 179.579 177.584 0.055 0.000 1.191 499 A CA 1.555 53.630 52.037 0.063 0.000 0.613 499 A CB -0.554 18.486 19.000 0.067 0.000 0.829 499 A HN 0.449 nan 8.150 nan 0.000 0.442 500 E N -0.134 120.097 120.200 0.051 0.000 2.068 500 E HA -0.281 4.070 4.350 0.001 0.000 0.207 500 E C 2.332 178.960 176.600 0.047 0.000 1.032 500 E CA 1.631 58.058 56.400 0.046 0.000 0.839 500 E CB -0.547 29.177 29.700 0.040 0.000 0.758 500 E HN 0.563 nan 8.360 nan 0.000 0.457 501 A N 0.590 123.434 122.820 0.041 0.000 1.972 501 A HA -0.109 4.212 4.320 0.001 0.000 0.219 501 A C 2.507 180.103 177.584 0.020 0.000 1.169 501 A CA 1.270 53.320 52.037 0.023 0.000 0.635 501 A CB -0.390 18.596 19.000 -0.024 0.000 0.810 501 A HN 0.159 nan 8.150 nan 0.000 0.446 502 V N -1.155 118.769 119.914 0.017 0.000 2.649 502 V HA -0.204 3.917 4.120 0.001 0.000 0.248 502 V C 2.435 178.576 176.094 0.078 0.000 1.054 502 V CA 1.739 64.061 62.300 0.036 0.000 1.073 502 V CB -0.457 31.382 31.823 0.027 0.000 0.699 502 V HN 0.725 nan 8.190 nan 0.000 0.463 503 C N 0.208 119.553 119.300 0.075 0.000 2.432 503 C HA -0.031 4.430 4.460 0.001 0.000 0.280 503 C C 2.976 178.015 174.990 0.080 0.000 1.353 503 C CA 0.569 59.635 59.018 0.080 0.000 1.766 503 C CB -1.396 26.385 27.740 0.068 0.000 1.924 503 C HN 0.619 nan 8.230 nan 0.000 0.509 504 A N 0.390 123.258 122.820 0.080 0.000 1.933 504 A HA -0.167 4.154 4.320 0.001 0.000 0.218 504 A C 2.133 179.786 177.584 0.115 0.000 1.175 504 A CA 1.757 53.848 52.037 0.089 0.000 0.628 504 A CB -0.482 18.572 19.000 0.089 0.000 0.814 504 A HN 0.596 nan 8.150 nan 0.000 0.444 505 M N -1.337 118.343 119.600 0.134 0.000 2.123 505 M HA -0.047 4.434 4.480 0.001 0.000 0.263 505 M C 0.930 177.312 176.300 0.135 0.000 1.069 505 M CA 1.226 56.627 55.300 0.168 0.000 1.133 505 M CB 0.014 32.730 32.600 0.193 0.000 1.356 505 M HN 0.521 nan 8.290 nan 0.000 0.415 506 N N 0.097 118.871 118.700 0.123 0.000 2.664 506 N HA 0.190 4.931 4.740 0.001 0.000 0.257 506 N C -2.260 173.313 175.510 0.106 0.000 1.108 506 N CA -1.520 51.599 53.050 0.114 0.000 0.822 506 N CB 1.466 40.041 38.487 0.148 0.000 1.199 506 N HN -0.171 nan 8.380 nan 0.000 0.529 507 P HA -0.161 nan 4.420 nan 0.000 0.219 507 P C 0.232 177.583 177.300 0.084 0.000 1.144 507 P CA 1.074 64.219 63.100 0.075 0.000 0.806 507 P CB 0.310 32.046 31.700 0.060 0.000 0.771 508 D N -0.536 119.928 120.400 0.106 0.000 2.354 508 D HA -0.076 4.565 4.640 0.001 0.000 0.216 508 D C 1.689 178.054 176.300 0.108 0.000 0.970 508 D CA 0.777 54.851 54.000 0.123 0.000 0.905 508 D CB -0.304 40.616 40.800 0.200 0.000 0.903 508 D HN 0.313 nan 8.370 nan 0.000 0.508 509 L N 0.207 121.493 121.223 0.106 0.000 2.607 509 L HA 0.078 4.418 4.340 0.001 0.000 0.228 509 L C 0.626 177.543 176.870 0.079 0.000 1.123 509 L CA -0.108 54.790 54.840 0.096 0.000 0.890 509 L CB 0.131 42.258 42.059 0.113 0.000 1.103 509 L HN -0.196 nan 8.230 nan 0.000 0.468 510 K N 0.984 121.426 120.400 0.069 0.000 2.527 510 K HA 0.054 4.375 4.320 0.001 0.000 0.278 510 K C 1.219 177.847 176.600 0.048 0.000 0.981 510 K CA 0.742 57.062 56.287 0.055 0.000 1.009 510 K CB 0.133 32.662 32.500 0.048 0.000 0.895 510 K HN 0.239 nan 8.250 nan 0.000 0.493 511 G N 2.124 110.947 108.800 0.038 0.000 2.200 511 G HA2 -0.299 3.662 3.960 0.001 0.000 0.267 511 G HA3 -0.299 3.662 3.960 0.001 0.000 0.267 511 G C 0.668 175.588 174.900 0.034 0.000 0.993 511 G CA 0.584 45.701 45.100 0.028 0.000 0.701 511 G HN 0.538 nan 8.290 nan 0.000 0.524 512 K N -0.806 119.625 120.400 0.052 0.000 2.402 512 K HA 0.377 4.698 4.320 0.001 0.000 0.203 512 K C 0.867 177.521 176.600 0.091 0.000 1.077 512 K CA 0.164 56.495 56.287 0.074 0.000 1.051 512 K CB 0.740 33.287 32.500 0.079 0.000 0.907 512 K HN 0.503 nan 8.250 nan 0.000 0.554 513 I N 2.061 122.678 120.570 0.078 0.000 2.355 513 I HA 0.181 4.352 4.170 0.001 0.000 0.288 513 I C -0.158 175.995 176.117 0.060 0.000 0.999 513 I CA -0.915 60.441 61.300 0.094 0.000 1.163 513 I CB 1.204 39.269 38.000 0.108 0.000 1.316 513 I HN -0.164 nan 8.210 nan 0.000 0.454 514 N N 5.939 124.669 118.700 0.051 0.000 2.469 514 N HA 0.394 5.135 4.740 0.001 0.000 0.239 514 N C -0.611 174.945 175.510 0.077 0.000 1.053 514 N CA -0.296 52.769 53.050 0.025 0.000 0.937 514 N CB 1.216 39.676 38.487 -0.044 0.000 1.163 514 N HN 0.695 nan 8.380 nan 0.000 0.509 515 A N 4.277 127.136 122.820 0.064 0.000 2.316 515 A HA 0.366 4.687 4.320 0.001 0.000 0.311 515 A C 0.116 177.740 177.584 0.067 0.000 1.339 515 A CA -0.438 51.647 52.037 0.078 0.000 0.960 515 A CB 0.115 19.151 19.000 0.060 0.000 1.152 515 A HN 0.646 nan 8.150 nan 0.000 0.547 516 K N 1.633 122.096 120.400 0.105 0.000 2.166 516 K HA 0.583 4.904 4.320 0.001 0.000 0.245 516 K C 0.013 176.668 176.600 0.091 0.000 0.967 516 K CA -0.622 55.719 56.287 0.090 0.000 0.863 516 K CB 1.806 34.391 32.500 0.141 0.000 1.107 516 K HN 0.703 nan 8.250 nan 0.000 0.436 517 I N -2.240 118.364 120.570 0.057 0.000 3.707 517 I HA 0.276 4.447 4.170 0.001 0.000 0.330 517 I C -0.743 175.404 176.117 0.050 0.000 1.572 517 I CA -0.542 60.783 61.300 0.042 0.000 1.104 517 I CB 0.446 38.451 38.000 0.007 0.000 1.240 517 I HN 0.196 nan 8.210 nan 0.000 0.475 518 D N 2.576 123.037 120.400 0.100 0.000 2.181 518 D HA 0.278 4.919 4.640 0.001 0.000 0.248 518 D C -0.473 175.929 176.300 0.170 0.000 1.020 518 D CA -0.514 53.555 54.000 0.116 0.000 0.891 518 D CB 2.476 43.330 40.800 0.090 0.000 1.187 518 D HN 0.174 nan 8.370 nan 0.000 0.443 519 K N 0.323 120.789 120.400 0.110 0.000 2.230 519 K HA 0.229 4.550 4.320 0.001 0.000 0.253 519 K C -0.734 175.943 176.600 0.129 0.000 1.008 519 K CA -0.361 55.972 56.287 0.076 0.000 0.910 519 K CB 0.763 33.274 32.500 0.018 0.000 0.994 519 K HN 0.122 nan 8.250 nan 0.000 0.495 520 V N 2.491 122.422 119.914 0.029 0.000 2.266 520 V HA 0.489 4.609 4.120 0.001 0.000 0.271 520 V C 0.288 176.197 176.094 -0.309 0.000 1.032 520 V CA -0.325 61.985 62.300 0.016 0.000 0.806 520 V CB 0.568 32.407 31.823 0.027 0.000 1.052 520 V HN 0.980 nan 8.190 nan 0.000 0.449 521 G N 4.635 113.133 108.800 -0.503 0.000 2.554 521 G HA2 0.507 4.468 3.960 0.001 0.000 0.306 521 G HA3 0.507 4.468 3.960 0.001 0.000 0.306 521 G C -2.529 172.040 174.900 -0.552 0.000 1.320 521 G CA -0.473 43.940 45.100 -1.144 0.000 0.800 521 G HN 0.255 nan 8.290 nan 0.000 0.481 522 P HA -0.144 nan 4.420 nan 0.000 0.218 522 P C 1.070 178.410 177.300 0.066 0.000 1.152 522 P CA 1.424 64.552 63.100 0.046 0.000 0.857 522 P CB 0.363 32.092 31.700 0.048 0.000 0.787 523 E N -1.107 119.100 120.200 0.011 0.000 2.427 523 E HA -0.046 4.305 4.350 0.001 0.000 0.196 523 E C 1.240 177.876 176.600 0.060 0.000 1.028 523 E CA 1.021 57.444 56.400 0.039 0.000 0.864 523 E CB -0.721 28.986 29.700 0.012 0.000 0.813 523 E HN 0.367 nan 8.360 nan 0.000 0.514 524 T N -3.699 110.906 114.554 0.085 0.000 3.174 524 T HA 0.244 4.595 4.350 0.001 0.000 0.269 524 T C 1.048 175.840 174.700 0.152 0.000 1.017 524 T CA -0.363 61.797 62.100 0.101 0.000 0.899 524 T CB 0.186 69.154 68.868 0.167 0.000 1.077 524 T HN -0.053 nan 8.240 nan 0.000 0.552 525 E N 1.383 121.703 120.200 0.200 0.000 2.268 525 E HA -0.129 4.222 4.350 0.001 0.000 0.195 525 E C 1.979 178.585 176.600 0.010 0.000 0.995 525 E CA 0.860 57.408 56.400 0.248 0.000 0.836 525 E CB 0.043 29.932 29.700 0.315 0.000 0.763 525 E HN 0.742 nan 8.360 nan 0.000 0.491 526 E N 0.804 120.895 120.200 -0.182 0.000 2.047 526 E HA -0.201 4.150 4.350 0.001 0.000 0.191 526 E C 2.180 178.585 176.600 -0.324 0.000 0.987 526 E CA 1.326 57.419 56.400 -0.511 0.000 0.799 526 E CB -0.094 29.405 29.700 -0.335 0.000 0.752 526 E HN 0.415 nan 8.360 nan 0.000 0.449 527 I N -1.674 118.691 120.570 -0.342 0.000 2.353 527 I HA -0.058 4.113 4.170 0.001 0.000 0.248 527 I C 0.449 176.141 176.117 -0.709 0.000 1.119 527 I CA 0.930 61.898 61.300 -0.553 0.000 1.417 527 I CB -0.027 37.532 38.000 -0.734 0.000 1.078 527 I HN -0.096 nan 8.210 nan 0.000 0.421 528 F N 4.086 123.884 119.950 -0.253 0.000 2.508 528 F HA 0.297 4.825 4.527 0.002 0.000 0.329 528 F C 0.615 176.516 175.800 0.169 0.000 1.198 528 F CA -1.241 56.561 58.000 -0.330 0.000 1.268 528 F CB -0.542 38.296 39.000 -0.270 0.000 1.584 528 F HN 0.272 nan 8.300 nan 0.000 0.570 529 N N -0.611 118.245 118.700 0.260 0.000 2.431 529 N HA 0.056 4.797 4.740 0.001 0.000 0.289 529 N C 0.722 176.521 175.510 0.482 0.000 1.277 529 N CA -0.332 52.911 53.050 0.322 0.000 0.972 529 N CB 0.407 38.971 38.487 0.128 0.000 1.143 529 N HN 0.076 nan 8.380 nan 0.000 0.578 530 D N -0.434 120.233 120.400 0.445 0.000 2.123 530 D HA -0.175 4.466 4.640 0.001 0.000 0.196 530 D C 1.687 178.161 176.300 0.290 0.000 0.992 530 D CA 1.523 55.814 54.000 0.485 0.000 0.833 530 D CB -0.600 40.503 40.800 0.506 0.000 0.954 530 D HN 0.618 nan 8.370 nan 0.000 0.455 531 S N -0.348 115.493 115.700 0.234 0.000 2.370 531 S HA -0.216 4.255 4.470 0.001 0.000 0.226 531 S C 1.910 176.577 174.600 0.111 0.000 1.033 531 S CA 0.913 59.205 58.200 0.152 0.000 1.011 531 S CB -0.524 62.750 63.200 0.123 0.000 0.852 531 S HN 0.261 nan 8.310 nan 0.000 0.457 532 F N 0.573 120.519 119.950 -0.007 0.000 2.051 532 F HA -0.043 4.485 4.527 0.001 0.000 0.296 532 F C 1.785 177.456 175.800 -0.215 0.000 1.122 532 F CA 1.981 59.901 58.000 -0.132 0.000 1.201 532 F CB -0.792 38.103 39.000 -0.174 0.000 0.978 532 F HN 0.298 nan 8.300 nan 0.000 0.472 533 W N 1.092 122.286 121.300 -0.177 0.000 2.355 533 W HA -0.117 4.544 4.660 0.001 0.000 0.309 533 W C 2.526 178.818 176.519 -0.379 0.000 1.206 533 W CA 1.713 58.778 57.345 -0.468 0.000 1.284 533 W CB -0.817 27.943 29.460 -1.167 0.000 1.145 533 W HN 0.065 nan 8.180 nan 0.000 0.502 534 E N -0.064 120.120 120.200 -0.026 0.000 2.097 534 E HA -0.227 4.124 4.350 0.001 0.000 0.196 534 E C 2.088 178.688 176.600 0.000 0.000 1.000 534 E CA 1.853 58.294 56.400 0.068 0.000 0.804 534 E CB -0.472 29.308 29.700 0.133 0.000 0.740 534 E HN 0.131 nan 8.360 nan 0.000 0.454 535 S N 0.660 116.317 115.700 -0.073 0.000 2.400 535 S HA -0.105 4.365 4.470 0.001 0.000 0.232 535 S C 0.943 175.443 174.600 -0.166 0.000 1.025 535 S CA 0.555 58.694 58.200 -0.102 0.000 0.993 535 S CB -0.173 62.966 63.200 -0.101 0.000 0.808 535 S HN 0.131 nan 8.310 nan 0.000 0.478 536 L N 1.875 122.967 121.223 -0.218 0.000 2.417 536 L HA 0.163 4.504 4.340 0.001 0.000 0.268 536 L C 1.198 177.996 176.870 -0.120 0.000 1.158 536 L CA -0.403 54.288 54.840 -0.248 0.000 0.819 536 L CB 0.354 42.243 42.059 -0.283 0.000 1.112 536 L HN 0.016 nan 8.230 nan 0.000 0.458 537 D N 1.320 121.623 120.400 -0.161 0.000 2.149 537 D HA 0.059 4.700 4.640 0.001 0.000 0.206 537 D C -0.039 176.401 176.300 0.233 0.000 0.967 537 D CA 1.428 55.445 54.000 0.028 0.000 0.848 537 D CB 0.388 41.225 40.800 0.061 0.000 0.998 537 D HN 0.379 nan 8.370 nan 0.000 0.474 538 F N -1.612 118.318 119.950 -0.033 0.000 2.741 538 F HA 0.570 5.097 4.527 0.001 0.000 0.313 538 F C -1.373 174.490 175.800 0.106 0.000 1.153 538 F CA -1.341 56.688 58.000 0.049 0.000 0.931 538 F CB 1.192 40.207 39.000 0.024 0.000 1.335 538 F HN -0.395 nan 8.300 nan 0.000 0.460 539 V N 0.473 120.599 119.914 0.353 0.000 2.680 539 V HA 0.741 4.862 4.120 0.001 0.000 0.309 539 V C -0.802 175.487 176.094 0.326 0.000 1.052 539 V CA -0.601 61.874 62.300 0.292 0.000 0.908 539 V CB 1.979 34.039 31.823 0.394 0.000 1.001 539 V HN 0.923 nan 8.190 nan 0.000 0.431 540 T N 3.110 117.814 114.554 0.251 0.000 2.840 540 T HA 0.361 4.712 4.350 0.001 0.000 0.287 540 T C -0.336 174.401 174.700 0.061 0.000 0.991 540 T CA -0.482 61.767 62.100 0.248 0.000 0.964 540 T CB 0.764 69.900 68.868 0.447 0.000 0.954 540 T HN 0.674 nan 8.240 nan 0.000 0.438 541 N N 1.681 120.403 118.700 0.038 0.000 2.458 541 N HA 0.452 5.192 4.740 0.001 0.000 0.270 541 N C -0.139 175.336 175.510 -0.058 0.000 1.102 541 N CA -0.370 52.656 53.050 -0.040 0.000 0.967 541 N CB 0.789 39.247 38.487 -0.048 0.000 1.078 541 N HN 0.679 nan 8.380 nan 0.000 0.471 542 A N 4.267 127.032 122.820 -0.093 0.000 3.129 542 A HA 0.328 4.649 4.320 0.001 0.000 0.282 542 A C -0.295 177.249 177.584 -0.066 0.000 0.948 542 A CA -0.413 51.572 52.037 -0.086 0.000 1.027 542 A CB -0.001 18.926 19.000 -0.122 0.000 1.123 542 A HN 0.535 nan 8.150 nan 0.000 0.485 543 L N -0.258 120.930 121.223 -0.058 0.000 2.335 543 L HA 0.561 4.902 4.340 0.001 0.000 0.268 543 L C 0.601 177.459 176.870 -0.020 0.000 1.016 543 L CA -0.678 54.136 54.840 -0.045 0.000 0.805 543 L CB 1.550 43.572 42.059 -0.060 0.000 1.311 543 L HN 0.489 nan 8.230 nan 0.000 0.456 544 D N -1.251 119.145 120.400 -0.006 0.000 2.582 544 D HA 0.085 4.726 4.640 0.001 0.000 0.246 544 D C -0.639 175.674 176.300 0.021 0.000 1.334 544 D CA -0.210 53.798 54.000 0.014 0.000 0.805 544 D CB 0.084 40.897 40.800 0.021 0.000 1.087 544 D HN 0.553 nan 8.370 nan 0.000 0.499 545 N N -0.676 118.033 118.700 0.015 0.000 2.732 545 N HA 0.110 4.851 4.740 0.001 0.000 0.259 545 N C -0.073 175.456 175.510 0.031 0.000 1.402 545 N CA -0.570 52.497 53.050 0.028 0.000 0.829 545 N CB 2.081 40.583 38.487 0.025 0.000 1.495 545 N HN -0.161 nan 8.380 nan 0.000 0.511 546 V N 0.341 120.292 119.914 0.062 0.000 2.500 546 V HA -0.052 4.069 4.120 0.001 0.000 0.243 546 V C 1.279 177.424 176.094 0.086 0.000 1.039 546 V CA 1.670 64.032 62.300 0.103 0.000 1.053 546 V CB -0.729 31.189 31.823 0.159 0.000 0.695 546 V HN 0.632 nan 8.190 nan 0.000 0.463 547 D N 1.112 121.554 120.400 0.071 0.000 2.116 547 D HA -0.162 4.479 4.640 0.001 0.000 0.193 547 D C 2.167 178.515 176.300 0.080 0.000 0.998 547 D CA 2.024 56.068 54.000 0.073 0.000 0.836 547 D CB -0.358 40.474 40.800 0.054 0.000 0.951 547 D HN 0.580 nan 8.370 nan 0.000 0.449 548 A N 0.340 123.188 122.820 0.046 0.000 1.929 548 A HA -0.106 4.215 4.320 0.001 0.000 0.216 548 A C 2.166 179.772 177.584 0.037 0.000 1.176 548 A CA 0.960 53.027 52.037 0.049 0.000 0.628 548 A CB -0.281 18.723 19.000 0.006 0.000 0.816 548 A HN 0.091 nan 8.150 nan 0.000 0.444 549 R N -0.750 119.712 120.500 -0.063 0.000 2.083 549 R HA -0.109 4.232 4.340 0.001 0.000 0.237 549 R C 2.270 178.466 176.300 -0.173 0.000 1.137 549 R CA 1.961 57.914 56.100 -0.246 0.000 0.951 549 R CB -0.793 29.166 30.300 -0.568 0.000 0.851 549 R HN 0.509 nan 8.270 nan 0.000 0.434 550 T N 0.248 114.796 114.554 -0.009 0.000 2.720 550 T HA -0.217 4.133 4.350 0.001 0.000 0.268 550 T C 1.453 176.199 174.700 0.076 0.000 1.037 550 T CA 1.474 63.632 62.100 0.096 0.000 1.144 550 T CB -0.431 68.521 68.868 0.139 0.000 0.864 550 T HN 0.315 nan 8.240 nan 0.000 0.444 551 Y N 1.639 121.939 120.300 0.001 0.000 2.128 551 Y HA -0.194 4.357 4.550 0.001 0.000 0.284 551 Y C 2.331 178.242 175.900 0.019 0.000 1.154 551 Y CA 1.057 59.162 58.100 0.008 0.000 1.149 551 Y CB -0.516 37.963 38.460 0.032 0.000 0.976 551 Y HN -0.023 nan 8.280 nan 0.000 0.505 552 V N 0.254 120.266 119.914 0.163 0.000 2.358 552 V HA -0.283 3.838 4.120 0.001 0.000 0.246 552 V C 2.037 178.151 176.094 0.033 0.000 1.047 552 V CA 2.163 64.557 62.300 0.157 0.000 1.035 552 V CB -0.818 31.135 31.823 0.216 0.000 0.658 552 V HN 0.421 nan 8.190 nan 0.000 0.452 553 D N -0.015 120.392 120.400 0.012 0.000 2.116 553 D HA -0.225 4.416 4.640 0.001 0.000 0.193 553 D C 2.379 178.634 176.300 -0.075 0.000 0.998 553 D CA 1.606 55.617 54.000 0.019 0.000 0.836 553 D CB -0.113 40.733 40.800 0.078 0.000 0.951 553 D HN 0.261 nan 8.370 nan 0.000 0.449 554 R N -0.462 119.942 120.500 -0.160 0.000 2.083 554 R HA -0.101 4.240 4.340 0.001 0.000 0.237 554 R C 2.481 178.609 176.300 -0.287 0.000 1.137 554 R CA 1.212 57.154 56.100 -0.264 0.000 0.951 554 R CB -0.131 29.960 30.300 -0.348 0.000 0.851 554 R HN 0.234 nan 8.270 nan 0.000 0.434 555 R N 0.130 120.405 120.500 -0.375 0.000 2.073 555 R HA -0.108 4.233 4.340 0.001 0.000 0.234 555 R C 2.377 178.583 176.300 -0.155 0.000 1.134 555 R CA 1.308 57.143 56.100 -0.441 0.000 0.952 555 R CB -1.056 28.657 30.300 -0.979 0.000 0.850 555 R HN 0.330 nan 8.270 nan 0.000 0.433 556 C N 0.617 119.903 119.300 -0.022 0.000 2.422 556 C HA -0.072 4.389 4.460 0.001 0.000 0.279 556 C C 2.889 178.051 174.990 0.287 0.000 1.305 556 C CA 0.992 60.150 59.018 0.233 0.000 1.757 556 C CB -1.026 26.898 27.740 0.306 0.000 1.962 556 C HN 0.477 nan 8.230 nan 0.000 0.499 557 V N -1.228 118.714 119.914 0.046 0.000 2.591 557 V HA -0.062 4.059 4.120 0.001 0.000 0.249 557 V C 2.023 178.192 176.094 0.125 0.000 1.053 557 V CA 1.760 63.995 62.300 -0.108 0.000 1.068 557 V CB -1.067 30.388 31.823 -0.614 0.000 0.689 557 V HN 0.415 nan 8.190 nan 0.000 0.462 558 F N 1.209 121.091 119.950 -0.113 0.000 2.146 558 F HA 0.026 4.553 4.527 0.001 0.000 0.298 558 F C 1.976 177.701 175.800 -0.126 0.000 1.096 558 F CA 1.600 59.501 58.000 -0.165 0.000 1.275 558 F CB -0.279 38.433 39.000 -0.480 0.000 1.008 558 F HN 0.231 nan 8.300 nan 0.000 0.480 559 Y N 0.026 120.307 120.300 -0.031 0.000 2.466 559 Y HA 0.262 4.812 4.550 0.001 0.000 0.272 559 Y C 0.435 176.387 175.900 0.087 0.000 1.169 559 Y CA -0.045 58.025 58.100 -0.049 0.000 1.285 559 Y CB -0.038 38.489 38.460 0.112 0.000 1.078 559 Y HN -0.132 nan 8.280 nan 0.000 0.523 560 R N 1.060 121.756 120.500 0.326 0.000 3.209 560 R HA -0.152 4.189 4.340 0.001 0.000 0.252 560 R C -1.269 175.193 176.300 0.270 0.000 0.958 560 R CA 0.300 56.612 56.100 0.354 0.000 0.651 560 R CB -1.423 28.993 30.300 0.195 0.000 1.142 560 R HN 0.001 nan 8.270 nan 0.000 0.441 561 K N 0.309 120.926 120.400 0.362 0.000 2.259 561 K HA 0.444 4.765 4.320 0.001 0.000 0.252 561 K C -2.443 174.334 176.600 0.295 0.000 0.936 561 K CA -2.577 53.892 56.287 0.304 0.000 0.810 561 K CB 1.514 34.241 32.500 0.379 0.000 1.143 561 K HN -0.160 nan 8.250 nan 0.000 0.427 562 P HA 0.086 nan 4.420 nan 0.000 0.269 562 P C -0.746 176.726 177.300 0.286 0.000 1.209 562 P CA -0.431 62.780 63.100 0.185 0.000 0.776 562 P CB 0.427 32.190 31.700 0.105 0.000 0.876 563 L N 3.789 125.164 121.223 0.254 0.000 2.376 563 L HA 0.401 4.742 4.340 0.001 0.000 0.275 563 L C -1.387 175.611 176.870 0.213 0.000 0.987 563 L CA -0.373 54.626 54.840 0.265 0.000 0.828 563 L CB 1.051 43.267 42.059 0.261 0.000 1.249 563 L HN 0.171 nan 8.230 nan 0.000 0.409 564 L N 4.946 126.309 121.223 0.234 0.000 2.260 564 L HA 0.515 4.856 4.340 0.001 0.000 0.289 564 L C 0.075 177.033 176.870 0.148 0.000 1.057 564 L CA -0.240 54.717 54.840 0.194 0.000 0.811 564 L CB 0.929 43.133 42.059 0.242 0.000 1.184 564 L HN 0.584 nan 8.230 nan 0.000 0.429 565 E N 2.513 122.788 120.200 0.125 0.000 2.227 565 E HA 0.693 5.044 4.350 0.001 0.000 0.268 565 E C -1.107 175.543 176.600 0.083 0.000 0.907 565 E CA -0.224 56.232 56.400 0.093 0.000 0.786 565 E CB 2.412 32.198 29.700 0.143 0.000 1.191 565 E HN 0.610 nan 8.360 nan 0.000 0.411 566 S N 0.351 116.086 115.700 0.058 0.000 2.567 566 S HA 0.868 5.339 4.470 0.001 0.000 0.270 566 S C -0.385 174.243 174.600 0.047 0.000 1.152 566 S CA -0.546 57.683 58.200 0.049 0.000 0.835 566 S CB 1.610 64.832 63.200 0.035 0.000 1.115 566 S HN 0.575 nan 8.310 nan 0.000 0.459 567 G N 0.154 108.986 108.800 0.052 0.000 2.677 567 G HA2 0.807 4.768 3.960 0.001 0.000 0.291 567 G HA3 0.807 4.768 3.960 0.001 0.000 0.291 567 G C -0.940 173.990 174.900 0.051 0.000 1.435 567 G CA -0.099 45.034 45.100 0.056 0.000 0.826 567 G HN 1.590 nan 8.290 nan 0.000 0.491 568 T N -2.119 112.464 114.554 0.049 0.000 2.883 568 T HA 0.698 5.049 4.350 0.001 0.000 0.301 568 T C -1.641 173.092 174.700 0.056 0.000 1.158 568 T CA -0.829 61.298 62.100 0.046 0.000 1.007 568 T CB 1.987 70.874 68.868 0.032 0.000 1.186 568 T HN 1.698 nan 8.240 nan 0.000 0.499 569 L N 1.797 123.052 121.223 0.054 0.000 2.555 569 L HA 0.691 5.032 4.340 0.001 0.000 0.264 569 L C 0.574 177.479 176.870 0.059 0.000 0.972 569 L CA 1.194 56.075 54.840 0.068 0.000 0.876 569 L CB 0.642 42.743 42.059 0.071 0.000 1.216 569 L HN 1.556 nan 8.230 nan 0.000 0.415 570 G N 3.925 112.770 108.800 0.074 0.000 2.596 570 G HA2 -0.413 3.548 3.960 0.001 0.000 0.304 570 G HA3 -0.413 3.548 3.960 0.001 0.000 0.304 570 G C 0.724 175.621 174.900 -0.005 0.000 1.189 570 G CA 1.132 46.267 45.100 0.059 0.000 0.986 570 G HN 1.578 nan 8.290 nan 0.000 0.548 571 T N -0.654 113.852 114.554 -0.080 0.000 3.129 571 T HA 0.375 4.726 4.350 0.001 0.000 0.251 571 T C 0.896 175.526 174.700 -0.117 0.000 1.117 571 T CA 1.471 63.471 62.100 -0.166 0.000 1.034 571 T CB 0.045 68.672 68.868 -0.402 0.000 0.968 571 T HN 0.647 nan 8.240 nan 0.000 0.526 572 K N 0.892 121.259 120.400 -0.054 0.000 2.143 572 K HA 0.658 4.979 4.320 0.001 0.000 0.272 572 K C 0.060 176.671 176.600 0.017 0.000 1.001 572 K CA -0.695 55.584 56.287 -0.013 0.000 0.915 572 K CB 1.677 34.185 32.500 0.012 0.000 1.047 572 K HN 0.322 nan 8.250 nan 0.000 0.458 573 G N 1.296 110.118 108.800 0.036 0.000 2.692 573 G HA2 0.385 4.346 3.960 0.001 0.000 0.291 573 G HA3 0.385 4.346 3.960 0.001 0.000 0.291 573 G C -1.762 173.169 174.900 0.051 0.000 1.423 573 G CA -0.674 44.450 45.100 0.039 0.000 0.843 573 G HN 0.717 nan 8.290 nan 0.000 0.486 574 N N -0.906 117.806 118.700 0.020 0.000 2.591 574 N HA 0.671 5.412 4.740 0.001 0.000 0.263 574 N C -1.742 173.714 175.510 -0.091 0.000 1.308 574 N CA -0.505 52.499 53.050 -0.077 0.000 0.837 574 N CB 2.391 40.894 38.487 0.027 0.000 1.548 574 N HN 0.413 nan 8.380 nan 0.000 0.493 575 T N 0.376 114.804 114.554 -0.210 0.000 2.912 575 T HA 0.397 4.747 4.350 0.001 0.000 0.299 575 T C -1.489 173.157 174.700 -0.090 0.000 1.052 575 T CA -0.418 61.634 62.100 -0.081 0.000 0.996 575 T CB 1.851 70.706 68.868 -0.022 0.000 1.070 575 T HN 0.539 nan 8.240 nan 0.000 0.465 576 Q N 2.212 122.033 119.800 0.034 0.000 2.315 576 Q HA 0.646 4.987 4.340 0.001 0.000 0.273 576 Q C -1.541 174.530 176.000 0.118 0.000 1.053 576 Q CA -0.796 55.054 55.803 0.079 0.000 0.817 576 Q CB 1.913 30.731 28.738 0.134 0.000 1.326 576 Q HN 0.582 nan 8.270 nan 0.000 0.423 577 V N 1.780 121.760 119.914 0.109 0.000 2.435 577 V HA 0.606 4.727 4.120 0.001 0.000 0.290 577 V C -0.366 175.762 176.094 0.057 0.000 1.030 577 V CA -0.784 61.565 62.300 0.082 0.000 0.881 577 V CB 1.083 32.938 31.823 0.052 0.000 0.983 577 V HN 0.612 nan 8.190 nan 0.000 0.445 578 I N 5.694 126.321 120.570 0.096 0.000 2.354 578 I HA 0.504 4.674 4.170 0.001 0.000 0.286 578 I C -0.523 175.642 176.117 0.081 0.000 1.007 578 I CA -0.029 61.373 61.300 0.169 0.000 1.167 578 I CB 1.403 39.584 38.000 0.301 0.000 1.320 578 I HN 0.475 nan 8.210 nan 0.000 0.458 579 I N 9.022 129.547 120.570 -0.076 0.000 2.362 579 I HA 0.409 4.580 4.170 0.001 0.000 0.289 579 I C -2.192 173.547 176.117 -0.630 0.000 0.994 579 I CA -2.033 59.086 61.300 -0.302 0.000 1.158 579 I CB 1.146 38.877 38.000 -0.447 0.000 1.315 579 I HN 0.309 nan 8.210 nan 0.000 0.451 580 P HA -0.001 nan 4.420 nan 0.000 0.263 580 P C -0.055 176.469 177.300 -1.292 0.000 1.168 580 P CA 0.220 62.214 63.100 -1.843 0.000 0.759 580 P CB 0.264 31.480 31.700 -0.806 0.000 0.782 581 R N 0.547 120.090 120.500 -1.595 0.000 3.847 581 R HA -0.205 4.136 4.340 0.001 0.000 0.304 581 R C 0.691 176.783 176.300 -0.347 0.000 1.203 581 R CA 0.485 56.236 56.100 -0.582 0.000 0.835 581 R CB -1.650 28.488 30.300 -0.270 0.000 1.253 581 R HN 0.482 nan 8.270 nan 0.000 0.516 582 L N -1.798 119.190 121.223 -0.392 0.000 2.603 582 L HA 0.158 4.499 4.340 0.001 0.000 0.189 582 L C 0.796 177.664 176.870 -0.003 0.000 1.082 582 L CA 1.332 56.081 54.840 -0.152 0.000 0.921 582 L CB 0.454 42.395 42.059 -0.198 0.000 1.694 582 L HN 0.301 nan 8.230 nan 0.000 0.491 583 T N -2.035 112.557 114.554 0.065 0.000 2.948 583 T HA 0.372 4.723 4.350 0.001 0.000 0.285 583 T C 0.039 174.942 174.700 0.338 0.000 1.019 583 T CA -0.668 61.530 62.100 0.163 0.000 1.013 583 T CB 1.921 70.836 68.868 0.078 0.000 1.117 583 T HN 0.089 nan 8.240 nan 0.000 0.533 584 E N 0.845 121.167 120.200 0.204 0.000 2.422 584 E HA 0.307 4.658 4.350 0.001 0.000 0.260 584 E C 0.438 177.144 176.600 0.177 0.000 1.108 584 E CA -0.262 56.231 56.400 0.154 0.000 0.943 584 E CB 0.619 30.371 29.700 0.086 0.000 0.961 584 E HN 0.787 nan 8.360 nan 0.000 0.443 585 S N 1.005 116.757 115.700 0.087 0.000 2.758 585 S HA 0.085 4.556 4.470 0.001 0.000 0.292 585 S C 0.863 175.529 174.600 0.111 0.000 1.131 585 S CA -0.646 57.615 58.200 0.102 0.000 0.997 585 S CB 0.368 63.537 63.200 -0.052 0.000 1.111 585 S HN 0.662 nan 8.310 nan 0.000 0.552 586 Y N 1.416 121.740 120.300 0.039 0.000 2.114 586 Y HA -0.167 4.383 4.550 0.001 0.000 0.282 586 Y C 2.489 178.402 175.900 0.022 0.000 1.165 586 Y CA 2.448 60.574 58.100 0.043 0.000 1.148 586 Y CB -0.746 37.744 38.460 0.050 0.000 0.972 586 Y HN 0.658 nan 8.280 nan 0.000 0.504 587 S N -0.738 115.017 115.700 0.091 0.000 2.481 587 S HA -0.124 4.347 4.470 0.001 0.000 0.231 587 S C 1.831 176.396 174.600 -0.059 0.000 0.996 587 S CA 0.936 59.140 58.200 0.007 0.000 0.942 587 S CB -0.306 62.912 63.200 0.030 0.000 0.768 587 S HN 0.467 nan 8.310 nan 0.000 0.520 588 S N 1.177 116.844 115.700 -0.056 0.000 2.537 588 S HA 0.046 4.517 4.470 0.001 0.000 0.240 588 S C 0.784 175.349 174.600 -0.058 0.000 0.981 588 S CA 0.228 58.399 58.200 -0.048 0.000 0.948 588 S CB -0.074 63.112 63.200 -0.023 0.000 0.759 588 S HN 0.442 nan 8.310 nan 0.000 0.531 589 S N 0.481 116.120 115.700 -0.103 0.000 2.541 589 S HA 0.649 5.120 4.470 0.001 0.000 0.280 589 S C -1.035 173.475 174.600 -0.150 0.000 1.112 589 S CA -0.921 57.212 58.200 -0.112 0.000 0.925 589 S CB 1.367 64.495 63.200 -0.120 0.000 1.067 589 S HN 0.242 nan 8.310 nan 0.000 0.479 590 R N 2.094 122.535 120.500 -0.099 0.000 2.670 590 R HA 0.441 4.782 4.340 0.001 0.000 0.289 590 R C -1.073 175.188 176.300 -0.065 0.000 0.965 590 R CA -0.809 55.238 56.100 -0.088 0.000 0.899 590 R CB 1.269 31.540 30.300 -0.049 0.000 1.173 590 R HN 0.671 nan 8.270 nan 0.000 0.456 591 D N 3.284 123.651 120.400 -0.055 0.000 2.329 591 D HA 0.157 4.798 4.640 0.001 0.000 0.246 591 D C -1.901 174.392 176.300 -0.011 0.000 1.111 591 D CA -1.085 52.901 54.000 -0.023 0.000 0.941 591 D CB 0.595 41.396 40.800 0.002 0.000 1.169 591 D HN 0.258 nan 8.370 nan 0.000 0.441 592 P HA 0.090 nan 4.420 nan 0.000 0.262 592 P C -2.153 175.149 177.300 0.003 0.000 1.182 592 P CA -0.676 62.421 63.100 -0.005 0.000 0.761 592 P CB -0.477 31.219 31.700 -0.007 0.000 0.795 593 P HA 0.186 nan 4.420 nan 0.000 0.274 593 P C -0.178 177.128 177.300 0.010 0.000 1.256 593 P CA -0.236 62.870 63.100 0.009 0.000 0.795 593 P CB 0.612 32.317 31.700 0.008 0.000 1.038 594 E N 0.836 121.043 120.200 0.012 0.000 2.417 594 E HA 0.037 4.388 4.350 0.001 0.000 0.261 594 E C -0.088 176.521 176.600 0.015 0.000 1.000 594 E CA -0.029 56.377 56.400 0.011 0.000 0.919 594 E CB 0.048 29.753 29.700 0.008 0.000 0.955 594 E HN 0.096 nan 8.360 nan 0.000 0.455 595 K N 2.580 122.991 120.400 0.017 0.000 2.453 595 K HA 0.007 4.328 4.320 0.001 0.000 0.280 595 K C -0.509 176.110 176.600 0.032 0.000 1.045 595 K CA 0.375 56.677 56.287 0.025 0.000 1.059 595 K CB 0.189 32.706 32.500 0.029 0.000 0.901 595 K HN 0.352 nan 8.250 nan 0.000 0.475 596 S N 4.629 120.348 115.700 0.030 0.000 2.528 596 S HA 0.327 4.798 4.470 0.001 0.000 0.277 596 S C 0.042 174.668 174.600 0.042 0.000 1.297 596 S CA -0.715 57.504 58.200 0.032 0.000 1.052 596 S CB 0.052 63.266 63.200 0.024 0.000 0.917 596 S HN 0.496 nan 8.310 nan 0.000 0.492 597 I N 6.656 127.257 120.570 0.051 0.000 2.325 597 I HA 0.278 4.449 4.170 0.001 0.000 0.291 597 I C -1.969 174.160 176.117 0.020 0.000 1.019 597 I CA -2.329 59.003 61.300 0.053 0.000 1.302 597 I CB 1.025 39.082 38.000 0.095 0.000 1.401 597 I HN 0.437 nan 8.210 nan 0.000 0.485 598 P HA 0.057 nan 4.420 nan 0.000 0.264 598 P C 0.767 178.068 177.300 0.002 0.000 1.193 598 P CA -0.072 63.028 63.100 -0.001 0.000 0.763 598 P CB 0.635 32.329 31.700 -0.010 0.000 0.810 599 L N 2.285 123.520 121.223 0.020 0.000 2.043 599 L HA -0.275 4.066 4.340 0.001 0.000 0.212 599 L C 2.285 179.176 176.870 0.035 0.000 1.075 599 L CA 1.848 56.706 54.840 0.030 0.000 0.752 599 L CB -0.767 41.312 42.059 0.033 0.000 0.891 599 L HN 0.483 nan 8.230 nan 0.000 0.432 600 C N -1.387 117.944 119.300 0.051 0.000 2.435 600 C HA -0.120 4.341 4.460 0.001 0.000 0.279 600 C C 2.885 177.918 174.990 0.071 0.000 1.321 600 C CA 1.175 60.243 59.018 0.085 0.000 1.752 600 C CB -0.950 26.895 27.740 0.175 0.000 1.959 600 C HN 0.530 nan 8.230 nan 0.000 0.500 601 T N 1.459 116.030 114.554 0.028 0.000 2.777 601 T HA -0.052 4.299 4.350 0.001 0.000 0.266 601 T C 1.742 176.342 174.700 -0.168 0.000 1.040 601 T CA 1.119 63.175 62.100 -0.073 0.000 1.141 601 T CB -0.199 68.531 68.868 -0.232 0.000 0.868 601 T HN 0.461 nan 8.240 nan 0.000 0.444 602 L N 0.334 121.502 121.223 -0.091 0.000 2.027 602 L HA -0.050 4.291 4.340 0.001 0.000 0.206 602 L C 2.842 179.735 176.870 0.039 0.000 1.074 602 L CA 1.418 56.260 54.840 0.003 0.000 0.745 602 L CB -0.444 41.673 42.059 0.097 0.000 0.898 602 L HN 0.125 nan 8.230 nan 0.000 0.433 603 R N -0.690 119.833 120.500 0.040 0.000 2.073 603 R HA -0.111 4.230 4.340 0.001 0.000 0.234 603 R C 1.923 178.176 176.300 -0.078 0.000 1.134 603 R CA 1.937 58.081 56.100 0.073 0.000 0.952 603 R CB 0.116 30.446 30.300 0.049 0.000 0.850 603 R HN 0.197 nan 8.270 nan 0.000 0.433 604 S N -1.981 113.539 115.700 -0.300 0.000 2.769 604 S HA 0.226 4.697 4.470 0.001 0.000 0.258 604 S C -0.490 173.718 174.600 -0.653 0.000 1.080 604 S CA -0.396 57.463 58.200 -0.568 0.000 0.943 604 S CB 0.824 63.424 63.200 -0.999 0.000 0.893 604 S HN 0.159 nan 8.310 nan 0.000 0.490 605 F N 3.145 123.067 119.950 -0.045 0.000 2.627 605 F HA 0.424 4.952 4.527 0.001 0.000 0.329 605 F C -2.746 172.913 175.800 -0.235 0.000 1.378 605 F CA -2.834 55.135 58.000 -0.051 0.000 1.134 605 F CB 0.271 39.256 39.000 -0.025 0.000 1.229 605 F HN -0.058 nan 8.300 nan 0.000 0.537 606 P HA 0.169 nan 4.420 nan 0.000 0.272 606 P C -0.110 177.186 177.300 -0.006 0.000 1.223 606 P CA 0.011 62.962 63.100 -0.248 0.000 0.784 606 P CB 1.202 32.643 31.700 -0.431 0.000 0.923 607 N N -1.038 117.843 118.700 0.302 0.000 2.110 607 N HA 0.180 4.921 4.740 0.001 0.000 0.230 607 N C -0.459 175.139 175.510 0.147 0.000 1.353 607 N CA -0.295 52.885 53.050 0.216 0.000 0.807 607 N CB 0.439 39.038 38.487 0.188 0.000 1.244 607 N HN 0.211 nan 8.380 nan 0.000 0.504 608 K N -0.333 120.112 120.400 0.074 0.000 2.508 608 K HA 0.377 4.698 4.320 0.001 0.000 0.260 608 K C -0.079 176.417 176.600 -0.174 0.000 0.949 608 K CA -0.858 55.313 56.287 -0.193 0.000 0.834 608 K CB 2.313 34.494 32.500 -0.532 0.000 1.365 608 K HN -0.091 nan 8.250 nan 0.000 0.437 609 I N 1.883 122.388 120.570 -0.109 0.000 2.567 609 I HA -0.208 3.963 4.170 0.001 0.000 0.257 609 I C 0.685 176.771 176.117 -0.051 0.000 1.184 609 I CA 1.897 63.169 61.300 -0.048 0.000 1.451 609 I CB -0.066 37.927 38.000 -0.013 0.000 1.089 609 I HN 0.656 nan 8.210 nan 0.000 0.441 610 D N -0.906 119.409 120.400 -0.141 0.000 2.144 610 D HA -0.186 4.454 4.640 0.001 0.000 0.200 610 D C 1.970 178.259 176.300 -0.017 0.000 0.978 610 D CA 1.254 55.195 54.000 -0.098 0.000 0.833 610 D CB -0.257 40.450 40.800 -0.155 0.000 0.961 610 D HN 0.413 nan 8.370 nan 0.000 0.470 611 H N -0.069 119.010 119.070 0.016 0.000 2.357 611 H HA -0.042 4.515 4.556 0.002 0.000 0.301 611 H C 2.447 177.793 175.328 0.030 0.000 1.082 611 H CA 1.849 57.901 56.048 0.007 0.000 1.342 611 H CB -0.988 28.746 29.762 -0.046 0.000 1.389 611 H HN 0.308 nan 8.280 nan 0.000 0.511 612 T N -1.198 113.425 114.554 0.116 0.000 2.985 612 T HA 0.012 4.363 4.350 0.001 0.000 0.266 612 T C 2.297 177.125 174.700 0.213 0.000 1.076 612 T CA 0.593 62.755 62.100 0.103 0.000 1.135 612 T CB -0.473 68.398 68.868 0.005 0.000 0.890 612 T HN 0.160 nan 8.240 nan 0.000 0.480 613 I N 2.093 122.752 120.570 0.149 0.000 2.142 613 I HA -0.079 4.092 4.170 0.001 0.000 0.240 613 I C 3.239 179.450 176.117 0.157 0.000 1.078 613 I CA 1.225 62.610 61.300 0.142 0.000 1.343 613 I CB -0.703 37.349 38.000 0.086 0.000 1.046 613 I HN 0.320 nan 8.210 nan 0.000 0.405 614 A N 0.221 123.129 122.820 0.146 0.000 1.892 614 A HA -0.309 4.012 4.320 0.001 0.000 0.218 614 A C 2.147 179.837 177.584 0.178 0.000 1.188 614 A CA 2.088 54.203 52.037 0.130 0.000 0.631 614 A CB -1.458 17.622 19.000 0.134 0.000 0.822 614 A HN 0.691 nan 8.150 nan 0.000 0.447 615 W N 0.388 121.711 121.300 0.038 0.000 2.355 615 W HA -0.113 4.548 4.660 0.001 0.000 0.309 615 W C 2.475 179.036 176.519 0.069 0.000 1.206 615 W CA 2.362 59.728 57.345 0.035 0.000 1.284 615 W CB -0.184 29.292 29.460 0.026 0.000 1.145 615 W HN 0.359 nan 8.180 nan 0.000 0.502 616 A N 0.165 123.241 122.820 0.427 0.000 1.972 616 A HA -0.213 4.108 4.320 0.001 0.000 0.219 616 A C 2.022 179.729 177.584 0.205 0.000 1.169 616 A CA 1.895 54.115 52.037 0.306 0.000 0.635 616 A CB -0.804 18.402 19.000 0.344 0.000 0.810 616 A HN 0.398 nan 8.150 nan 0.000 0.446 617 K N 0.047 120.513 120.400 0.111 0.000 2.116 617 K HA -0.096 4.225 4.320 0.001 0.000 0.203 617 K C 2.313 178.936 176.600 0.039 0.000 1.052 617 K CA 1.435 57.739 56.287 0.028 0.000 0.952 617 K CB -0.117 32.331 32.500 -0.086 0.000 0.729 617 K HN 0.596 nan 8.250 nan 0.000 0.446 618 S N 0.505 116.183 115.700 -0.036 0.000 2.414 618 S HA -0.102 4.369 4.470 0.001 0.000 0.227 618 S C 1.976 176.456 174.600 -0.200 0.000 1.022 618 S CA 0.402 58.541 58.200 -0.101 0.000 0.958 618 S CB -0.182 62.945 63.200 -0.121 0.000 0.797 618 S HN 0.228 nan 8.310 nan 0.000 0.493 619 L N 1.015 122.059 121.223 -0.299 0.000 2.017 619 L HA 0.121 4.462 4.340 0.001 0.000 0.208 619 L C 2.163 178.825 176.870 -0.347 0.000 1.073 619 L CA 1.864 56.407 54.840 -0.496 0.000 0.745 619 L CB -1.178 40.507 42.059 -0.623 0.000 0.894 619 L HN 0.477 nan 8.230 nan 0.000 0.432 620 F N 0.075 119.977 119.950 -0.080 0.000 2.069 620 F HA -0.312 4.216 4.527 0.002 0.000 0.298 620 F C 2.482 178.212 175.800 -0.117 0.000 1.113 620 F CA 2.058 60.054 58.000 -0.008 0.000 1.214 620 F CB -0.398 38.735 39.000 0.222 0.000 0.978 620 F HN 0.174 nan 8.300 nan 0.000 0.474 621 Q N 0.187 119.949 119.800 -0.062 0.000 2.135 621 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 621 Q C 2.501 178.350 176.000 -0.250 0.000 0.981 621 Q CA 1.304 56.998 55.803 -0.181 0.000 0.856 621 Q CB -0.773 27.942 28.738 -0.038 0.000 0.902 621 Q HN 0.666 nan 8.270 nan 0.000 0.425 622 G N -0.087 108.545 108.800 -0.280 0.000 2.453 622 G HA2 -0.261 3.700 3.960 0.001 0.000 0.215 622 G HA3 -0.261 3.700 3.960 0.001 0.000 0.215 622 G C 1.075 175.805 174.900 -0.283 0.000 1.201 622 G CA 0.703 45.635 45.100 -0.280 0.000 0.784 622 G HN 0.363 nan 8.290 nan 0.000 0.545 623 Y N -0.424 119.534 120.300 -0.571 0.000 2.097 623 Y HA -0.126 4.425 4.550 0.001 0.000 0.282 623 Y C 2.285 177.661 175.900 -0.873 0.000 1.152 623 Y CA 1.045 58.610 58.100 -0.891 0.000 1.136 623 Y CB -0.081 37.321 38.460 -1.763 0.000 0.975 623 Y HN 0.229 nan 8.280 nan 0.000 0.498 624 F N -3.230 116.568 119.950 -0.252 0.000 2.706 624 F HA 0.174 4.701 4.527 0.001 0.000 0.313 624 F C 1.495 177.087 175.800 -0.347 0.000 1.096 624 F CA 0.081 57.861 58.000 -0.367 0.000 1.219 624 F CB -0.161 38.509 39.000 -0.550 0.000 1.051 624 F HN -0.187 nan 8.300 nan 0.000 0.568 625 T N -1.153 113.273 114.554 -0.213 0.000 3.205 625 T HA 0.003 4.354 4.350 0.001 0.000 0.238 625 T C 1.285 175.921 174.700 -0.105 0.000 0.974 625 T CA 0.679 62.696 62.100 -0.139 0.000 1.246 625 T CB -0.062 68.732 68.868 -0.124 0.000 1.007 625 T HN -0.073 nan 8.240 nan 0.000 0.414 626 D N 1.813 122.148 120.400 -0.110 0.000 2.183 626 D HA 0.024 4.665 4.640 0.001 0.000 0.203 626 D C 2.303 178.560 176.300 -0.070 0.000 0.969 626 D CA 0.708 54.664 54.000 -0.073 0.000 0.842 626 D CB -0.374 40.387 40.800 -0.064 0.000 0.957 626 D HN 0.176 nan 8.370 nan 0.000 0.484 627 S N 0.961 116.606 115.700 -0.090 0.000 2.359 627 S HA -0.225 4.246 4.470 0.001 0.000 0.223 627 S C 2.151 176.686 174.600 -0.109 0.000 1.039 627 S CA 1.583 59.733 58.200 -0.083 0.000 1.042 627 S CB -0.345 62.801 63.200 -0.090 0.000 0.915 627 S HN 0.409 nan 8.310 nan 0.000 0.439 628 A N 1.290 124.025 122.820 -0.141 0.000 1.873 628 A HA -0.131 4.190 4.320 0.001 0.000 0.215 628 A C 2.017 179.509 177.584 -0.153 0.000 1.186 628 A CA 1.542 53.469 52.037 -0.182 0.000 0.616 628 A CB -0.691 18.195 19.000 -0.191 0.000 0.823 628 A HN 0.550 nan 8.150 nan 0.000 0.442 629 E N 0.010 120.141 120.200 -0.115 0.000 2.070 629 E HA -0.225 4.126 4.350 0.001 0.000 0.197 629 E C 1.872 178.396 176.600 -0.127 0.000 1.004 629 E CA 1.386 57.725 56.400 -0.101 0.000 0.805 629 E CB -0.238 29.427 29.700 -0.059 0.000 0.744 629 E HN 0.548 nan 8.360 nan 0.000 0.451 630 N N 0.368 119.009 118.700 -0.098 0.000 2.120 630 N HA -0.130 4.611 4.740 0.001 0.000 0.188 630 N C 1.971 177.357 175.510 -0.206 0.000 1.024 630 N CA 0.825 53.807 53.050 -0.113 0.000 0.852 630 N CB -0.422 38.076 38.487 0.019 0.000 1.003 630 N HN 0.008 nan 8.380 nan 0.000 0.424 631 V N 2.188 122.028 119.914 -0.122 0.000 2.295 631 V HA -0.209 3.912 4.120 0.001 0.000 0.246 631 V C 1.740 177.781 176.094 -0.089 0.000 1.049 631 V CA 1.512 63.776 62.300 -0.059 0.000 1.024 631 V CB -0.499 31.289 31.823 -0.057 0.000 0.648 631 V HN 0.301 nan 8.190 nan 0.000 0.447 632 N N -0.508 118.093 118.700 -0.164 0.000 2.244 632 N HA -0.067 4.674 4.740 0.001 0.000 0.183 632 N C 1.742 177.120 175.510 -0.222 0.000 1.016 632 N CA 1.291 54.233 53.050 -0.179 0.000 0.866 632 N CB -0.312 38.068 38.487 -0.179 0.000 0.980 632 N HN 0.432 nan 8.380 nan 0.000 0.430 633 M N -0.716 118.688 119.600 -0.328 0.000 2.099 633 M HA -0.160 4.321 4.480 0.001 0.000 0.262 633 M C 1.983 177.884 176.300 -0.665 0.000 1.067 633 M CA 1.230 56.230 55.300 -0.500 0.000 1.124 633 M CB -0.424 31.769 32.600 -0.679 0.000 1.353 633 M HN 0.107 nan 8.290 nan 0.000 0.410 634 Y N 1.470 121.224 120.300 -0.911 0.000 2.097 634 Y HA -0.240 4.311 4.550 0.001 0.000 0.282 634 Y C 1.945 177.736 175.900 -0.182 0.000 1.152 634 Y CA 1.750 59.559 58.100 -0.486 0.000 1.136 634 Y CB -0.526 37.795 38.460 -0.232 0.000 0.975 634 Y HN 0.078 nan 8.280 nan 0.000 0.498 635 L N -0.434 120.627 121.223 -0.270 0.000 2.083 635 L HA -0.198 4.143 4.340 0.001 0.000 0.209 635 L C 2.461 179.193 176.870 -0.229 0.000 1.083 635 L CA 2.005 56.680 54.840 -0.275 0.000 0.752 635 L CB -0.759 41.249 42.059 -0.085 0.000 0.899 635 L HN 0.471 nan 8.230 nan 0.000 0.433 636 T N -4.303 110.139 114.554 -0.187 0.000 2.983 636 T HA -0.019 4.332 4.350 0.001 0.000 0.250 636 T C 1.004 175.642 174.700 -0.104 0.000 1.037 636 T CA -0.117 61.906 62.100 -0.128 0.000 1.142 636 T CB -0.113 68.691 68.868 -0.107 0.000 0.876 636 T HN 0.149 nan 8.240 nan 0.000 0.455 637 Q N 2.091 121.833 119.800 -0.097 0.000 2.314 637 Q HA 0.265 4.606 4.340 0.001 0.000 0.258 637 Q C -1.712 174.286 176.000 -0.004 0.000 0.954 637 Q CA -1.932 53.859 55.803 -0.020 0.000 0.890 637 Q CB 1.452 30.222 28.738 0.053 0.000 1.210 637 Q HN 0.202 nan 8.270 nan 0.000 0.410 638 P HA -0.112 nan 4.420 nan 0.000 0.214 638 P C -0.178 177.147 177.300 0.042 0.000 1.162 638 P CA 1.282 64.386 63.100 0.007 0.000 0.879 638 P CB 0.330 32.034 31.700 0.006 0.000 0.786 639 N N -1.963 116.780 118.700 0.070 0.000 2.380 639 N HA 0.159 4.900 4.740 0.001 0.000 0.255 639 N C 0.595 176.172 175.510 0.112 0.000 1.158 639 N CA -0.330 52.764 53.050 0.074 0.000 0.878 639 N CB -0.524 37.986 38.487 0.039 0.000 1.138 639 N HN -0.065 nan 8.380 nan 0.000 0.509 640 F N 1.043 121.010 119.950 0.029 0.000 2.134 640 F HA -0.215 4.313 4.527 0.001 0.000 0.299 640 F C 1.890 177.736 175.800 0.077 0.000 1.097 640 F CA 1.315 59.349 58.000 0.057 0.000 1.264 640 F CB -0.222 38.829 39.000 0.085 0.000 1.001 640 F HN -0.027 nan 8.300 nan 0.000 0.479 641 V N -0.804 119.163 119.914 0.088 0.000 2.261 641 V HA -0.293 3.828 4.120 0.001 0.000 0.246 641 V C 2.276 178.307 176.094 -0.105 0.000 1.047 641 V CA 2.224 64.517 62.300 -0.012 0.000 1.015 641 V CB -1.439 30.473 31.823 0.149 0.000 0.642 641 V HN 0.475 nan 8.190 nan 0.000 0.446 642 E N 0.031 120.203 120.200 -0.048 0.000 2.077 642 E HA -0.267 4.084 4.350 0.001 0.000 0.193 642 E C 2.424 178.967 176.600 -0.095 0.000 0.989 642 E CA 1.618 57.987 56.400 -0.053 0.000 0.800 642 E CB -0.191 29.497 29.700 -0.020 0.000 0.746 642 E HN 0.728 nan 8.360 nan 0.000 0.452 643 Q N -0.343 119.385 119.800 -0.121 0.000 2.096 643 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 643 Q C 2.250 178.136 176.000 -0.190 0.000 0.982 643 Q CA 2.106 57.829 55.803 -0.133 0.000 0.850 643 Q CB -0.182 28.489 28.738 -0.111 0.000 0.901 643 Q HN 0.381 nan 8.270 nan 0.000 0.422 644 T N 2.010 116.367 114.554 -0.329 0.000 2.665 644 T HA -0.189 4.162 4.350 0.001 0.000 0.268 644 T C 1.982 176.586 174.700 -0.161 0.000 1.035 644 T CA 1.379 63.295 62.100 -0.306 0.000 1.151 644 T CB -0.504 68.115 68.868 -0.414 0.000 0.862 644 T HN 0.211 nan 8.240 nan 0.000 0.438 645 L N 0.288 121.434 121.223 -0.127 0.000 1.990 645 L HA -0.106 4.235 4.340 0.001 0.000 0.213 645 L C 1.647 178.481 176.870 -0.061 0.000 1.072 645 L CA 1.324 56.119 54.840 -0.076 0.000 0.755 645 L CB -0.842 41.183 42.059 -0.056 0.000 0.889 645 L HN 0.245 nan 8.230 nan 0.000 0.432 651 V N 0.556 120.455 119.914 -0.024 0.000 3.161 651 V HA 0.088 4.208 4.120 0.001 0.000 0.221 651 V C 2.213 178.291 176.094 -0.026 0.000 1.296 651 V CA 0.668 62.948 62.300 -0.033 0.000 1.306 651 V CB 0.618 32.421 31.823 -0.034 0.000 1.171 651 V HN -0.003 nan 8.190 nan 0.000 0.513 652 K N 1.071 121.460 120.400 -0.017 0.000 2.025 652 K HA -0.100 4.221 4.320 0.001 0.000 0.207 652 K C 2.000 178.594 176.600 -0.010 0.000 1.049 652 K CA 1.848 58.127 56.287 -0.013 0.000 0.933 652 K CB -0.582 31.913 32.500 -0.008 0.000 0.714 652 K HN 0.452 nan 8.250 nan 0.000 0.438 653 G N 0.889 109.684 108.800 -0.009 0.000 2.432 653 G HA2 -0.173 3.788 3.960 0.001 0.000 0.219 653 G HA3 -0.173 3.788 3.960 0.001 0.000 0.219 653 G C 1.558 176.457 174.900 -0.003 0.000 1.135 653 G CA 0.780 45.876 45.100 -0.007 0.000 0.767 653 G HN 0.189 nan 8.290 nan 0.000 0.550 654 V N 1.117 121.032 119.914 0.001 0.000 2.255 654 V HA -0.198 3.923 4.120 0.001 0.000 0.247 654 V C 2.933 179.042 176.094 0.025 0.000 1.051 654 V CA 1.804 64.119 62.300 0.025 0.000 1.018 654 V CB -0.557 31.282 31.823 0.028 0.000 0.641 654 V HN 0.364 nan 8.190 nan 0.000 0.445 655 L N -0.485 120.738 121.223 0.000 0.000 2.046 655 L HA -0.193 4.147 4.340 0.001 0.000 0.208 655 L C 2.576 179.423 176.870 -0.039 0.000 1.077 655 L CA 1.696 56.519 54.840 -0.028 0.000 0.747 655 L CB -0.741 41.296 42.059 -0.036 0.000 0.896 655 L HN 0.387 nan 8.230 nan 0.000 0.432 656 E N -0.177 120.012 120.200 -0.018 0.000 2.118 656 E HA -0.194 4.157 4.350 0.001 0.000 0.195 656 E C 2.310 178.911 176.600 0.002 0.000 0.992 656 E CA 1.389 57.785 56.400 -0.008 0.000 0.804 656 E CB -0.085 29.616 29.700 0.003 0.000 0.741 656 E HN 0.319 nan 8.360 nan 0.000 0.458 657 S N 0.411 116.113 115.700 0.004 0.000 2.440 657 S HA -0.100 4.371 4.470 0.001 0.000 0.238 657 S C 1.775 176.371 174.600 -0.006 0.000 1.010 657 S CA 0.768 58.974 58.200 0.010 0.000 0.972 657 S CB -0.040 63.162 63.200 0.004 0.000 0.774 657 S HN 0.223 nan 8.310 nan 0.000 0.501 658 I N 0.626 121.172 120.570 -0.041 0.000 3.783 658 I HA 0.009 4.180 4.170 0.001 0.000 0.310 658 I C 2.095 178.154 176.117 -0.097 0.000 1.274 658 I CA 0.492 61.734 61.300 -0.096 0.000 1.294 658 I CB 0.124 37.998 38.000 -0.209 0.000 1.051 658 I HN 0.298 nan 8.210 nan 0.000 0.435 659 S N -0.561 115.103 115.700 -0.060 0.000 2.506 659 S HA 0.000 4.471 4.470 0.001 0.000 0.230 659 S C 1.500 176.108 174.600 0.013 0.000 1.066 659 S CA 0.093 58.273 58.200 -0.034 0.000 0.940 659 S CB -0.164 63.012 63.200 -0.040 0.000 0.818 659 S HN 0.166 nan 8.310 nan 0.000 0.518 660 D N 2.853 123.271 120.400 0.031 0.000 2.108 660 D HA -0.078 4.562 4.640 0.001 0.000 0.190 660 D C 2.015 178.365 176.300 0.082 0.000 0.995 660 D CA 1.825 55.865 54.000 0.067 0.000 0.834 660 D CB -0.984 39.875 40.800 0.098 0.000 0.967 660 D HN 0.402 nan 8.370 nan 0.000 0.446 661 S N -0.380 115.374 115.700 0.090 0.000 2.488 661 S HA -0.087 4.384 4.470 0.001 0.000 0.246 661 S C 1.765 176.475 174.600 0.183 0.000 0.992 661 S CA 0.529 58.813 58.200 0.140 0.000 0.963 661 S CB -0.068 63.171 63.200 0.065 0.000 0.754 661 S HN 0.261 nan 8.310 nan 0.000 0.519 662 L N -0.094 121.193 121.223 0.107 0.000 2.781 662 L HA 0.187 4.528 4.340 0.001 0.000 0.245 662 L C 1.547 178.439 176.870 0.037 0.000 1.118 662 L CA 0.428 55.329 54.840 0.102 0.000 0.918 662 L CB 0.292 42.405 42.059 0.090 0.000 1.246 662 L HN 0.293 nan 8.230 nan 0.000 0.526 663 S N -3.494 112.219 115.700 0.022 0.000 2.666 663 S HA 0.087 4.558 4.470 0.001 0.000 0.239 663 S C 1.141 175.732 174.600 -0.016 0.000 1.031 663 S CA -0.126 58.072 58.200 -0.002 0.000 1.015 663 S CB 0.702 63.906 63.200 0.007 0.000 0.981 663 S HN 0.056 nan 8.310 nan 0.000 0.547 664 S N 1.229 116.917 115.700 -0.020 0.000 2.602 664 S HA 0.331 4.802 4.470 0.001 0.000 0.240 664 S C 0.036 174.506 174.600 -0.217 0.000 0.992 664 S CA -0.562 57.609 58.200 -0.049 0.000 0.971 664 S CB -0.278 62.944 63.200 0.036 0.000 0.855 664 S HN 0.411 nan 8.310 nan 0.000 0.481 665 K N 3.783 124.023 120.400 -0.266 0.000 2.466 665 K HA 0.069 4.389 4.320 0.001 0.000 0.278 665 K C -2.383 173.838 176.600 -0.632 0.000 1.048 665 K CA -0.658 55.309 56.287 -0.534 0.000 1.088 665 K CB 0.149 32.426 32.500 -0.371 0.000 0.884 665 K HN 0.344 nan 8.250 nan 0.000 0.478 666 P HA 0.048 nan 4.420 nan 0.000 0.274 666 P C -0.493 176.522 177.300 -0.475 0.000 1.231 666 P CA -0.070 62.728 63.100 -0.503 0.000 0.790 666 P CB 0.745 32.152 31.700 -0.489 0.000 0.951 667 H N -0.632 118.359 119.070 -0.132 0.000 2.729 667 H HA 0.171 4.728 4.556 0.001 0.000 0.263 667 H C 0.941 176.248 175.328 -0.035 0.000 0.961 667 H CA 0.103 56.107 56.048 -0.073 0.000 1.217 667 H CB 0.461 30.186 29.762 -0.061 0.000 1.447 667 H HN 0.542 nan 8.280 nan 0.000 0.496 668 N N -1.794 116.944 118.700 0.064 0.000 3.039 668 N HA -0.013 4.728 4.740 0.001 0.000 0.257 668 N C -0.193 175.359 175.510 0.070 0.000 1.497 668 N CA -0.644 52.450 53.050 0.074 0.000 0.861 668 N CB 0.952 39.484 38.487 0.075 0.000 1.479 668 N HN -0.096 nan 8.380 nan 0.000 0.547 669 F N 0.894 120.821 119.950 -0.039 0.000 2.216 669 F HA -0.034 4.494 4.527 0.001 0.000 0.300 669 F C 2.487 178.242 175.800 -0.076 0.000 1.085 669 F CA 1.487 59.453 58.000 -0.057 0.000 1.326 669 F CB -0.135 38.829 39.000 -0.060 0.000 1.027 669 F HN 0.716 nan 8.300 nan 0.000 0.497 670 E N 0.127 120.294 120.200 -0.055 0.000 2.070 670 E HA -0.287 4.064 4.350 0.001 0.000 0.197 670 E C 1.717 178.216 176.600 -0.169 0.000 1.004 670 E CA 1.887 58.208 56.400 -0.132 0.000 0.805 670 E CB -0.218 29.453 29.700 -0.048 0.000 0.744 670 E HN 0.375 nan 8.360 nan 0.000 0.451 671 D N -0.299 120.030 120.400 -0.118 0.000 2.178 671 D HA -0.136 4.505 4.640 0.001 0.000 0.201 671 D C 1.962 178.187 176.300 -0.126 0.000 0.980 671 D CA 0.853 54.795 54.000 -0.096 0.000 0.842 671 D CB -0.402 40.348 40.800 -0.083 0.000 0.948 671 D HN 0.288 nan 8.370 nan 0.000 0.472 672 C N 0.158 119.311 119.300 -0.246 0.000 2.450 672 C HA 0.055 4.516 4.460 0.001 0.000 0.279 672 C C 2.780 177.645 174.990 -0.209 0.000 1.335 672 C CA -0.255 58.606 59.018 -0.262 0.000 1.749 672 C CB -0.827 26.665 27.740 -0.414 0.000 1.963 672 C HN 0.330 nan 8.230 nan 0.000 0.501 673 I N 1.160 121.500 120.570 -0.382 0.000 2.179 673 I HA -0.214 3.957 4.170 0.001 0.000 0.242 673 I C 2.529 178.607 176.117 -0.064 0.000 1.088 673 I CA 1.542 62.703 61.300 -0.231 0.000 1.357 673 I CB -0.509 37.291 38.000 -0.333 0.000 1.051 673 I HN 0.350 nan 8.210 nan 0.000 0.409 674 K N -0.071 120.290 120.400 -0.066 0.000 2.032 674 K HA -0.271 4.050 4.320 0.001 0.000 0.209 674 K C 1.955 178.571 176.600 0.027 0.000 1.048 674 K CA 2.155 58.426 56.287 -0.026 0.000 0.927 674 K CB -0.452 32.037 32.500 -0.018 0.000 0.712 674 K HN 0.377 nan 8.250 nan 0.000 0.441 675 W N 1.529 122.759 121.300 -0.116 0.000 2.333 675 W HA -0.264 4.397 4.660 0.001 0.000 0.316 675 W C 2.283 178.776 176.519 -0.043 0.000 1.215 675 W CA 2.402 59.690 57.345 -0.096 0.000 1.278 675 W CB -0.391 28.988 29.460 -0.135 0.000 1.154 675 W HN 0.097 nan 8.180 nan 0.000 0.486 676 A N 0.522 123.441 122.820 0.164 0.000 1.902 676 A HA -0.208 4.113 4.320 0.001 0.000 0.217 676 A C 1.946 179.587 177.584 0.095 0.000 1.181 676 A CA 2.170 54.231 52.037 0.041 0.000 0.623 676 A CB -0.926 18.202 19.000 0.214 0.000 0.818 676 A HN 0.362 nan 8.150 nan 0.000 0.443 677 R N 0.064 120.573 120.500 0.015 0.000 2.092 677 R HA 0.029 4.370 4.340 0.001 0.000 0.231 677 R C 1.763 178.022 176.300 -0.069 0.000 1.119 677 R CA 1.584 57.626 56.100 -0.097 0.000 0.970 677 R CB -0.817 29.327 30.300 -0.261 0.000 0.864 677 R HN 0.484 nan 8.270 nan 0.000 0.440 678 L N 0.288 121.434 121.223 -0.128 0.000 2.093 678 L HA -0.080 4.261 4.340 0.001 0.000 0.208 678 L C 2.275 179.017 176.870 -0.213 0.000 1.085 678 L CA 1.109 55.848 54.840 -0.168 0.000 0.755 678 L CB -0.423 41.526 42.059 -0.182 0.000 0.904 678 L HN 0.211 nan 8.230 nan 0.000 0.435 679 E N -0.180 119.827 120.200 -0.321 0.000 2.077 679 E HA -0.249 4.102 4.350 0.001 0.000 0.193 679 E C 1.992 178.554 176.600 -0.063 0.000 0.989 679 E CA 1.221 57.453 56.400 -0.280 0.000 0.800 679 E CB -0.360 29.008 29.700 -0.554 0.000 0.746 679 E HN 0.401 nan 8.360 nan 0.000 0.452 680 F N 2.026 121.984 119.950 0.013 0.000 2.120 680 F HA -0.272 4.256 4.527 0.001 0.000 0.300 680 F C 2.399 178.117 175.800 -0.137 0.000 1.095 680 F CA 2.063 60.010 58.000 -0.089 0.000 1.249 680 F CB 0.087 39.157 39.000 0.116 0.000 0.995 680 F HN -0.012 nan 8.300 nan 0.000 0.480 681 E N 0.458 120.696 120.200 0.064 0.000 2.106 681 E HA -0.164 4.186 4.350 0.001 0.000 0.192 681 E C 2.148 178.554 176.600 -0.324 0.000 0.984 681 E CA 1.327 57.670 56.400 -0.094 0.000 0.806 681 E CB -0.168 29.445 29.700 -0.146 0.000 0.750 681 E HN 0.365 nan 8.360 nan 0.000 0.458 682 K N -0.087 120.118 120.400 -0.324 0.000 1.985 682 K HA -0.113 4.208 4.320 0.001 0.000 0.210 682 K C 1.939 178.395 176.600 -0.239 0.000 1.047 682 K CA 1.427 57.569 56.287 -0.241 0.000 0.932 682 K CB 0.030 32.424 32.500 -0.176 0.000 0.716 682 K HN -0.033 nan 8.250 nan 0.000 0.439 683 K N -0.382 119.733 120.400 -0.474 0.000 2.243 683 K HA -0.021 4.300 4.320 0.001 0.000 0.201 683 K C 1.718 177.901 176.600 -0.696 0.000 1.051 683 K CA 1.133 57.061 56.287 -0.597 0.000 0.970 683 K CB 0.181 32.178 32.500 -0.840 0.000 0.755 683 K HN 0.213 nan 8.250 nan 0.000 0.465 684 F N -0.899 118.829 119.950 -0.370 0.000 2.746 684 F HA 0.203 4.731 4.527 0.002 0.000 0.313 684 F C 1.731 177.315 175.800 -0.360 0.000 1.095 684 F CA -0.375 57.335 58.000 -0.484 0.000 1.224 684 F CB 0.287 38.730 39.000 -0.929 0.000 1.060 684 F HN 0.006 nan 8.300 nan 0.000 0.584 685 N N -1.052 117.570 118.700 -0.129 0.000 2.820 685 N HA -0.018 4.723 4.740 0.001 0.000 0.236 685 N C 1.644 177.143 175.510 -0.019 0.000 1.023 685 N CA 0.350 53.379 53.050 -0.036 0.000 1.062 685 N CB -0.089 38.448 38.487 0.083 0.000 1.582 685 N HN -0.124 nan 8.380 nan 0.000 0.485 686 H N 0.677 119.670 119.070 -0.128 0.000 2.326 686 H HA 0.030 4.587 4.556 0.001 0.000 0.301 686 H C 0.908 176.200 175.328 -0.060 0.000 1.081 686 H CA 1.487 57.507 56.048 -0.047 0.000 1.334 686 H CB -0.320 29.537 29.762 0.159 0.000 1.385 686 H HN 0.320 nan 8.280 nan 0.000 0.504 687 D N -0.070 120.386 120.400 0.092 0.000 2.178 687 D HA -0.099 4.541 4.640 0.001 0.000 0.201 687 D C 2.125 178.432 176.300 0.012 0.000 0.980 687 D CA 0.463 54.506 54.000 0.072 0.000 0.842 687 D CB -0.015 40.821 40.800 0.059 0.000 0.948 687 D HN 0.252 nan 8.370 nan 0.000 0.472 688 I N 0.744 121.266 120.570 -0.080 0.000 2.233 688 I HA -0.156 4.015 4.170 0.001 0.000 0.243 688 I C 2.053 178.063 176.117 -0.177 0.000 1.093 688 I CA 0.997 62.217 61.300 -0.134 0.000 1.380 688 I CB -0.653 37.224 38.000 -0.206 0.000 1.067 688 I HN 0.007 nan 8.210 nan 0.000 0.413 689 K N 0.298 120.477 120.400 -0.368 0.000 2.209 689 K HA -0.233 4.087 4.320 0.001 0.000 0.204 689 K C 2.081 178.504 176.600 -0.294 0.000 1.048 689 K CA 1.105 57.026 56.287 -0.611 0.000 0.940 689 K CB -0.059 31.539 32.500 -1.504 0.000 0.729 689 K HN 0.171 nan 8.250 nan 0.000 0.451 690 Q N 1.198 120.976 119.800 -0.036 0.000 2.083 690 Q HA -0.107 4.234 4.340 0.001 0.000 0.198 690 Q C 1.897 178.047 176.000 0.250 0.000 0.969 690 Q CA 1.086 57.076 55.803 0.312 0.000 0.838 690 Q CB -0.216 28.706 28.738 0.305 0.000 0.900 690 Q HN 0.186 nan 8.270 nan 0.000 0.436 691 L N -0.191 121.143 121.223 0.185 0.000 2.042 691 L HA -0.086 4.255 4.340 0.001 0.000 0.210 691 L C 1.951 179.030 176.870 0.348 0.000 1.076 691 L CA 1.718 56.726 54.840 0.279 0.000 0.749 691 L CB -0.500 41.744 42.059 0.308 0.000 0.893 691 L HN 0.376 nan 8.230 nan 0.000 0.432 692 L N -2.033 119.326 121.223 0.226 0.000 2.217 692 L HA -0.178 4.163 4.340 0.001 0.000 0.211 692 L C 2.344 179.334 176.870 0.200 0.000 1.107 692 L CA 0.886 55.849 54.840 0.205 0.000 0.783 692 L CB -0.523 41.552 42.059 0.027 0.000 0.919 692 L HN 0.299 nan 8.230 nan 0.000 0.442 693 F N 0.837 120.831 119.950 0.073 0.000 2.146 693 F HA -0.177 4.351 4.527 0.001 0.000 0.298 693 F C 2.438 178.216 175.800 -0.037 0.000 1.096 693 F CA 1.395 59.430 58.000 0.059 0.000 1.275 693 F CB -0.211 38.867 39.000 0.131 0.000 1.008 693 F HN 0.063 nan 8.300 nan 0.000 0.480 694 N N -0.029 118.647 118.700 -0.040 0.000 2.120 694 N HA -0.151 4.590 4.740 0.001 0.000 0.188 694 N C -0.440 174.579 175.510 -0.819 0.000 1.024 694 N CA 1.110 53.877 53.050 -0.473 0.000 0.852 694 N CB -0.191 37.973 38.487 -0.537 0.000 1.003 694 N HN 0.161 nan 8.380 nan 0.000 0.424 695 F N 0.779 120.732 119.950 0.006 0.000 2.676 695 F HA 0.449 4.977 4.527 0.002 0.000 0.371 695 F C -2.226 173.693 175.800 0.197 0.000 1.141 695 F CA -2.461 55.473 58.000 -0.109 0.000 1.133 695 F CB 1.513 40.255 39.000 -0.431 0.000 1.376 695 F HN -0.201 nan 8.300 nan 0.000 0.491 696 P HA 0.028 nan 4.420 nan 0.000 0.266 696 P C 0.886 178.402 177.300 0.360 0.000 1.193 696 P CA 0.047 63.260 63.100 0.188 0.000 0.770 696 P CB 0.905 32.636 31.700 0.051 0.000 0.836 697 K N 1.289 121.827 120.400 0.231 0.000 2.189 697 K HA -0.208 4.113 4.320 0.001 0.000 0.207 697 K C 0.725 177.501 176.600 0.293 0.000 1.046 697 K CA 1.675 58.071 56.287 0.180 0.000 0.928 697 K CB -0.204 32.296 32.500 -0.001 0.000 0.720 697 K HN 0.511 nan 8.250 nan 0.000 0.458 698 D N -0.404 120.120 120.400 0.206 0.000 2.360 698 D HA 0.086 4.726 4.640 0.001 0.000 0.210 698 D C -0.002 176.392 176.300 0.157 0.000 1.047 698 D CA 0.097 54.191 54.000 0.158 0.000 0.854 698 D CB 0.163 41.015 40.800 0.087 0.000 0.936 698 D HN 0.130 nan 8.370 nan 0.000 0.514 699 A N 1.437 124.365 122.820 0.179 0.000 2.587 699 A HA 0.036 4.357 4.320 0.001 0.000 0.235 699 A C 0.442 178.109 177.584 0.139 0.000 1.044 699 A CA 0.516 52.624 52.037 0.118 0.000 0.754 699 A CB 0.178 19.211 19.000 0.054 0.000 0.968 699 A HN -0.033 nan 8.150 nan 0.000 0.509 700 K N 2.362 122.815 120.400 0.088 0.000 2.376 700 K HA 0.427 4.748 4.320 0.001 0.000 0.257 700 K C 0.363 176.999 176.600 0.060 0.000 0.939 700 K CA -0.352 55.981 56.287 0.077 0.000 0.809 700 K CB 1.700 34.230 32.500 0.051 0.000 1.121 700 K HN 0.875 nan 8.250 nan 0.000 0.425 701 T N -0.794 113.794 114.554 0.056 0.000 2.889 701 T HA 0.137 4.488 4.350 0.001 0.000 0.340 701 T C 0.707 175.412 174.700 0.007 0.000 1.145 701 T CA -0.478 61.640 62.100 0.029 0.000 0.986 701 T CB 0.251 69.120 68.868 0.001 0.000 1.461 701 T HN 0.392 nan 8.240 nan 0.000 0.541 702 S N 1.349 117.044 115.700 -0.008 0.000 2.563 702 S HA 0.174 4.645 4.470 0.001 0.000 0.284 702 S C 0.836 175.429 174.600 -0.012 0.000 1.331 702 S CA 0.289 58.482 58.200 -0.011 0.000 1.047 702 S CB -0.427 62.761 63.200 -0.020 0.000 0.859 702 S HN 0.969 nan 8.310 nan 0.000 0.514 703 N N 0.549 119.244 118.700 -0.009 0.000 1.829 703 N HA -0.208 4.533 4.740 0.001 0.000 0.213 703 N C 0.768 176.278 175.510 0.000 0.000 0.597 703 N CA 1.380 54.426 53.050 -0.006 0.000 4.299 703 N CB -1.474 37.007 38.487 -0.010 0.000 0.708 703 N HN 1.010 nan 8.380 nan 0.000 0.229 704 G N -0.843 107.959 108.800 0.004 0.000 2.834 704 G HA2 -0.107 3.854 3.960 0.001 0.000 0.217 704 G HA3 -0.107 3.854 3.960 0.001 0.000 0.217 704 G C -0.902 174.008 174.900 0.015 0.000 0.974 704 G CA -0.160 44.947 45.100 0.011 0.000 0.826 704 G HN 0.236 nan 8.290 nan 0.000 0.584 705 E N 1.661 121.866 120.200 0.009 0.000 2.376 705 E HA 0.283 4.634 4.350 0.001 0.000 0.266 705 E C -2.324 174.288 176.600 0.020 0.000 1.009 705 E CA -1.412 54.992 56.400 0.007 0.000 0.902 705 E CB 1.055 30.745 29.700 -0.016 0.000 0.972 705 E HN 0.162 nan 8.360 nan 0.000 0.439 706 P HA -0.051 nan 4.420 nan 0.000 0.268 706 P C 0.466 177.792 177.300 0.044 0.000 1.205 706 P CA 0.035 63.185 63.100 0.083 0.000 0.771 706 P CB 0.314 32.078 31.700 0.108 0.000 0.858 707 F N 2.391 122.289 119.950 -0.087 0.000 2.102 707 F HA -0.032 4.496 4.527 0.002 0.000 0.298 707 F C 0.530 176.112 175.800 -0.362 0.000 1.105 707 F CA 0.878 58.702 58.000 -0.293 0.000 1.239 707 F CB -0.357 38.402 39.000 -0.400 0.000 0.991 707 F HN 0.278 nan 8.300 nan 0.000 0.474 708 W N 2.794 124.133 121.300 0.065 0.000 1.606 708 W HA 0.335 4.996 4.660 0.001 0.000 0.455 708 W C -0.021 176.460 176.519 -0.064 0.000 0.711 708 W CA -0.021 57.314 57.345 -0.016 0.000 1.876 708 W CB -0.425 29.123 29.460 0.147 0.000 1.776 708 W HN 0.005 nan 8.180 nan 0.000 0.229 709 S N -0.091 115.599 115.700 -0.017 0.000 2.638 709 S HA 0.871 5.342 4.470 0.001 0.000 0.274 709 S C 0.447 175.004 174.600 -0.072 0.000 1.157 709 S CA -0.393 57.803 58.200 -0.006 0.000 0.826 709 S CB 1.600 64.792 63.200 -0.012 0.000 1.139 709 S HN 0.898 nan 8.310 nan 0.000 0.474 710 G N 1.606 110.395 108.800 -0.017 0.000 2.565 710 G HA2 -0.088 3.873 3.960 0.001 0.000 0.295 710 G HA3 -0.088 3.873 3.960 0.001 0.000 0.295 710 G C 1.068 175.960 174.900 -0.014 0.000 1.165 710 G CA 0.912 45.996 45.100 -0.026 0.000 0.977 710 G HN 2.031 nan 8.290 nan 0.000 0.546 711 A N 0.149 122.929 122.820 -0.068 0.000 2.167 711 A HA 0.345 4.665 4.320 0.001 0.000 0.214 711 A C 1.266 178.851 177.584 0.002 0.000 1.151 711 A CA 1.771 53.792 52.037 -0.027 0.000 0.735 711 A CB -0.130 18.831 19.000 -0.065 0.000 0.802 711 A HN 0.507 nan 8.150 nan 0.000 0.467 712 K N 1.602 121.951 120.400 -0.085 0.000 2.257 712 K HA 0.285 4.606 4.320 0.001 0.000 0.270 712 K C -0.854 176.017 176.600 0.451 0.000 1.098 712 K CA -0.212 56.105 56.287 0.050 0.000 0.943 712 K CB 0.807 32.926 32.500 -0.635 0.000 1.316 712 K HN 0.328 nan 8.250 nan 0.000 0.447 713 R N 1.459 122.288 120.500 0.549 0.000 2.234 713 R HA 0.224 4.565 4.340 0.001 0.000 0.324 713 R C -0.026 176.501 176.300 0.378 0.000 1.054 713 R CA -0.481 55.892 56.100 0.456 0.000 0.912 713 R CB 0.972 31.517 30.300 0.408 0.000 1.030 713 R HN 0.508 nan 8.270 nan 0.000 0.455 714 A N 6.430 129.268 122.820 0.030 0.000 2.484 714 A HA 0.214 4.535 4.320 0.001 0.000 0.268 714 A C -1.826 175.512 177.584 -0.410 0.000 1.114 714 A CA -1.055 50.530 52.037 -0.752 0.000 0.780 714 A CB -0.283 18.266 19.000 -0.750 0.000 1.061 714 A HN 0.488 nan 8.150 nan 0.000 0.505 715 P HA 0.356 nan 4.420 nan 0.000 0.278 715 P C -0.340 176.729 177.300 -0.385 0.000 1.266 715 P CA -0.186 62.542 63.100 -0.620 0.000 0.807 715 P CB 1.339 32.320 31.700 -1.199 0.000 1.094 716 T N 0.587 114.922 114.554 -0.364 0.000 2.841 716 T HA 0.472 4.823 4.350 0.001 0.000 0.285 716 T C -2.725 171.825 174.700 -0.250 0.000 0.991 716 T CA -2.523 59.438 62.100 -0.232 0.000 0.966 716 T CB 0.756 69.569 68.868 -0.093 0.000 0.962 716 T HN 0.217 nan 8.240 nan 0.000 0.438 717 P HA 0.213 nan 4.420 nan 0.000 0.269 717 P C -0.598 176.645 177.300 -0.095 0.000 1.215 717 P CA -0.614 62.393 63.100 -0.154 0.000 0.780 717 P CB 0.529 32.146 31.700 -0.139 0.000 0.898 718 L N 2.717 123.897 121.223 -0.072 0.000 2.395 718 L HA 0.216 4.557 4.340 0.001 0.000 0.269 718 L C 0.949 177.908 176.870 0.148 0.000 1.133 718 L CA 0.388 55.233 54.840 0.008 0.000 0.812 718 L CB -0.162 41.845 42.059 -0.087 0.000 1.125 718 L HN 0.311 nan 8.230 nan 0.000 0.452 719 E N 2.989 123.308 120.200 0.198 0.000 2.092 719 E HA 0.149 4.500 4.350 0.001 0.000 0.271 719 E C -0.748 176.039 176.600 0.311 0.000 0.919 719 E CA -0.672 55.872 56.400 0.240 0.000 0.760 719 E CB 0.982 30.780 29.700 0.163 0.000 1.106 719 E HN 0.295 nan 8.360 nan 0.000 0.408 720 F N 2.928 122.987 119.950 0.181 0.000 2.623 720 F HA -0.040 4.488 4.527 0.002 0.000 0.383 720 F C 0.290 176.167 175.800 0.129 0.000 1.077 720 F CA 0.746 58.733 58.000 -0.022 0.000 1.268 720 F CB 0.437 39.278 39.000 -0.265 0.000 1.053 720 F HN 0.206 nan 8.300 nan 0.000 0.571 721 D N 6.266 126.339 120.400 -0.545 0.000 2.479 721 D HA 0.102 4.743 4.640 0.001 0.000 0.246 721 D C 0.512 176.389 176.300 -0.705 0.000 1.336 721 D CA -0.454 53.315 54.000 -0.385 0.000 0.967 721 D CB 0.923 41.613 40.800 -0.183 0.000 1.275 721 D HN 0.519 nan 8.370 nan 0.000 0.577 722 I N 3.587 123.820 120.570 -0.562 0.000 2.423 722 I HA -0.196 3.975 4.170 0.001 0.000 0.254 722 I C 1.013 176.791 176.117 -0.565 0.000 1.151 722 I CA 1.530 62.542 61.300 -0.480 0.000 1.421 722 I CB -0.120 37.698 38.000 -0.302 0.000 1.079 722 I HN 0.475 nan 8.210 nan 0.000 0.431 723 Y N -0.456 119.676 120.300 -0.279 0.000 2.583 723 Y HA 0.037 4.587 4.550 0.001 0.000 0.293 723 Y C 1.218 176.963 175.900 -0.257 0.000 1.157 723 Y CA 0.048 57.989 58.100 -0.264 0.000 1.315 723 Y CB -0.538 37.808 38.460 -0.191 0.000 1.021 723 Y HN 0.121 nan 8.280 nan 0.000 0.536 724 N N 1.596 120.147 118.700 -0.248 0.000 2.470 724 N HA -0.096 4.645 4.740 0.001 0.000 0.268 724 N C 0.826 176.252 175.510 -0.142 0.000 1.136 724 N CA 0.165 53.018 53.050 -0.328 0.000 0.961 724 N CB 0.345 38.301 38.487 -0.885 0.000 1.067 724 N HN 0.386 nan 8.380 nan 0.000 0.468 725 N N 3.033 121.727 118.700 -0.009 0.000 2.205 725 N HA -0.174 4.567 4.740 0.001 0.000 0.186 725 N C 0.058 175.746 175.510 0.297 0.000 1.015 725 N CA 1.156 54.319 53.050 0.188 0.000 0.862 725 N CB 0.304 38.901 38.487 0.184 0.000 0.986 725 N HN 0.581 nan 8.380 nan 0.000 0.429 726 D N -0.694 119.818 120.400 0.187 0.000 2.183 726 D HA -0.047 4.594 4.640 0.001 0.000 0.205 726 D C 1.558 178.081 176.300 0.373 0.000 0.962 726 D CA 0.736 54.890 54.000 0.258 0.000 0.849 726 D CB -0.420 40.481 40.800 0.169 0.000 0.978 726 D HN 0.531 nan 8.370 nan 0.000 0.488 727 H N -0.355 118.763 119.070 0.081 0.000 2.321 727 H HA -0.108 4.449 4.556 0.001 0.000 0.300 727 H C 2.030 177.446 175.328 0.146 0.000 1.087 727 H CA 0.718 56.760 56.048 -0.009 0.000 1.319 727 H CB -0.097 29.286 29.762 -0.631 0.000 1.379 727 H HN 0.054 nan 8.280 nan 0.000 0.501 728 F N 1.782 121.741 119.950 0.015 0.000 2.075 728 F HA -0.234 4.294 4.527 0.001 0.000 0.297 728 F C 2.500 178.291 175.800 -0.016 0.000 1.113 728 F CA 1.563 59.527 58.000 -0.059 0.000 1.218 728 F CB -0.556 38.292 39.000 -0.254 0.000 0.984 728 F HN 0.194 nan 8.300 nan 0.000 0.472 729 H N -1.344 117.749 119.070 0.039 0.000 2.491 729 H HA -0.146 4.411 4.556 0.002 0.000 0.290 729 H C 2.156 177.555 175.328 0.118 0.000 1.050 729 H CA 1.523 57.541 56.048 -0.050 0.000 1.309 729 H CB -0.758 29.052 29.762 0.081 0.000 1.392 729 H HN 0.434 nan 8.280 nan 0.000 0.554 730 F N 0.991 121.081 119.950 0.234 0.000 2.186 730 F HA -0.153 4.375 4.527 0.001 0.000 0.299 730 F C 2.175 178.189 175.800 0.357 0.000 1.090 730 F CA 0.726 58.911 58.000 0.310 0.000 1.307 730 F CB -0.281 38.972 39.000 0.421 0.000 1.019 730 F HN -0.168 nan 8.300 nan 0.000 0.489 731 V N -0.529 119.614 119.914 0.381 0.000 2.453 731 V HA -0.217 3.904 4.120 0.001 0.000 0.247 731 V C 2.286 178.414 176.094 0.058 0.000 1.048 731 V CA 1.429 63.867 62.300 0.230 0.000 1.049 731 V CB -0.262 31.726 31.823 0.275 0.000 0.672 731 V HN 0.261 nan 8.190 nan 0.000 0.457 732 V N 0.300 120.088 119.914 -0.210 0.000 2.270 732 V HA -0.216 3.904 4.120 0.001 0.000 0.245 732 V C 2.706 178.789 176.094 -0.019 0.000 1.043 732 V CA 2.079 64.218 62.300 -0.267 0.000 1.014 732 V CB -1.062 30.352 31.823 -0.682 0.000 0.645 732 V HN 0.541 nan 8.190 nan 0.000 0.447 733 A N 0.459 123.320 122.820 0.069 0.000 1.877 733 A HA -0.095 4.226 4.320 0.001 0.000 0.216 733 A C 2.419 180.047 177.584 0.073 0.000 1.186 733 A CA 2.032 54.157 52.037 0.147 0.000 0.620 733 A CB -1.367 17.877 19.000 0.405 0.000 0.822 733 A HN 0.532 nan 8.150 nan 0.000 0.443 734 G N -0.357 108.549 108.800 0.177 0.000 2.491 734 G HA2 -0.077 3.883 3.960 0.001 0.000 0.218 734 G HA3 -0.077 3.883 3.960 0.001 0.000 0.218 734 G C 1.807 176.780 174.900 0.122 0.000 1.180 734 G CA 1.828 47.038 45.100 0.184 0.000 0.774 734 G HN 0.871 nan 8.290 nan 0.000 0.562 735 A N 0.475 123.352 122.820 0.095 0.000 1.908 735 A HA -0.037 4.284 4.320 0.001 0.000 0.218 735 A C 2.721 180.332 177.584 0.045 0.000 1.181 735 A CA 2.459 54.478 52.037 -0.031 0.000 0.627 735 A CB -0.692 18.176 19.000 -0.220 0.000 0.818 735 A HN 0.337 nan 8.150 nan 0.000 0.445 736 S N -0.477 115.264 115.700 0.068 0.000 2.383 736 S HA -0.018 4.453 4.470 0.001 0.000 0.227 736 S C 1.803 176.374 174.600 -0.049 0.000 1.026 736 S CA 1.297 59.522 58.200 0.042 0.000 0.981 736 S CB -0.377 62.535 63.200 -0.481 0.000 0.818 736 S HN 0.497 nan 8.310 nan 0.000 0.472 737 L N 0.813 121.877 121.223 -0.266 0.000 2.109 737 L HA 0.002 4.343 4.340 0.001 0.000 0.207 737 L C 2.605 179.303 176.870 -0.286 0.000 1.086 737 L CA 1.060 55.605 54.840 -0.492 0.000 0.760 737 L CB -0.346 40.879 42.059 -1.389 0.000 0.910 737 L HN 0.202 nan 8.230 nan 0.000 0.437 738 R N 0.418 120.803 120.500 -0.193 0.000 2.096 738 R HA -0.144 4.197 4.340 0.001 0.000 0.235 738 R C 2.327 178.664 176.300 0.062 0.000 1.127 738 R CA 1.282 57.327 56.100 -0.091 0.000 0.968 738 R CB -0.217 29.849 30.300 -0.390 0.000 0.861 738 R HN 0.319 nan 8.270 nan 0.000 0.440 739 A N -0.147 122.724 122.820 0.085 0.000 1.940 739 A HA -0.230 4.091 4.320 0.001 0.000 0.219 739 A C 2.019 179.696 177.584 0.156 0.000 1.176 739 A CA 1.434 53.574 52.037 0.172 0.000 0.631 739 A CB -0.846 18.341 19.000 0.311 0.000 0.814 739 A HN 0.633 nan 8.150 nan 0.000 0.446 740 Y N 1.110 121.413 120.300 0.006 0.000 2.220 740 Y HA -0.179 4.372 4.550 0.002 0.000 0.291 740 Y C 2.251 178.113 175.900 -0.063 0.000 1.129 740 Y CA 1.851 59.938 58.100 -0.022 0.000 1.161 740 Y CB -0.159 38.278 38.460 -0.037 0.000 0.997 740 Y HN 0.316 nan 8.280 nan 0.000 0.522 741 N N -0.283 118.444 118.700 0.046 0.000 2.104 741 N HA -0.238 4.502 4.740 0.001 0.000 0.190 741 N C 1.046 176.330 175.510 -0.377 0.000 1.024 741 N CA 1.901 54.836 53.050 -0.191 0.000 0.853 741 N CB -0.705 37.642 38.487 -0.233 0.000 1.008 741 N HN 0.489 nan 8.380 nan 0.000 0.424 742 Y N -0.376 119.846 120.300 -0.130 0.000 2.468 742 Y HA 0.303 4.854 4.550 0.001 0.000 0.268 742 Y C 1.356 177.206 175.900 -0.083 0.000 1.177 742 Y CA -0.039 58.006 58.100 -0.091 0.000 1.265 742 Y CB 0.118 38.546 38.460 -0.054 0.000 1.103 742 Y HN 0.054 nan 8.280 nan 0.000 0.522 743 G N 1.633 110.409 108.800 -0.041 0.000 2.314 743 G HA2 -0.298 3.663 3.960 0.001 0.000 0.292 743 G HA3 -0.298 3.663 3.960 0.001 0.000 0.292 743 G C -0.280 174.629 174.900 0.015 0.000 1.059 743 G CA 0.055 45.111 45.100 -0.073 0.000 0.982 743 G HN 0.370 nan 8.290 nan 0.000 0.505 744 I N -0.333 120.272 120.570 0.059 0.000 2.404 744 I HA 0.290 4.461 4.170 0.001 0.000 0.293 744 I C 0.795 176.959 176.117 0.078 0.000 0.992 744 I CA -0.936 60.414 61.300 0.084 0.000 1.149 744 I CB 1.734 39.804 38.000 0.117 0.000 1.315 744 I HN 0.049 nan 8.210 nan 0.000 0.446 745 K N 5.037 125.464 120.400 0.044 0.000 2.361 745 K HA 0.047 4.368 4.320 0.001 0.000 0.283 745 K C 0.237 176.799 176.600 -0.064 0.000 1.078 745 K CA 0.109 56.395 56.287 -0.003 0.000 1.041 745 K CB 0.435 32.927 32.500 -0.013 0.000 0.932 745 K HN 0.658 nan 8.250 nan 0.000 0.462 746 S N 3.362 118.962 115.700 -0.166 0.000 2.572 746 S HA -0.001 4.470 4.470 0.001 0.000 0.279 746 S C 0.519 174.711 174.600 -0.681 0.000 1.341 746 S CA -0.416 57.391 58.200 -0.657 0.000 1.043 746 S CB 0.704 63.621 63.200 -0.472 0.000 0.887 746 S HN 0.587 nan 8.310 nan 0.000 0.516 747 D N 2.423 122.134 120.400 -1.150 0.000 2.323 747 D HA 0.059 4.700 4.640 0.001 0.000 0.209 747 D C 0.775 176.892 176.300 -0.305 0.000 0.973 747 D CA 0.731 54.425 54.000 -0.510 0.000 0.874 747 D CB -0.072 40.543 40.800 -0.309 0.000 0.930 747 D HN 0.626 nan 8.370 nan 0.000 0.521 748 D N -0.473 119.704 120.400 -0.372 0.000 2.305 748 D HA -0.090 4.551 4.640 0.001 0.000 0.206 748 D C 2.045 178.331 176.300 -0.024 0.000 0.974 748 D CA 0.638 54.600 54.000 -0.063 0.000 0.871 748 D CB -0.143 40.702 40.800 0.075 0.000 0.947 748 D HN 0.043 nan 8.370 nan 0.000 0.516 749 S N 0.920 116.563 115.700 -0.095 0.000 2.389 749 S HA -0.321 4.150 4.470 0.001 0.000 0.231 749 S C 1.704 176.307 174.600 0.004 0.000 1.052 749 S CA 1.415 59.606 58.200 -0.015 0.000 1.053 749 S CB -0.515 62.658 63.200 -0.045 0.000 0.886 749 S HN 0.265 nan 8.310 nan 0.000 0.456 750 N N 1.157 119.847 118.700 -0.016 0.000 2.376 750 N HA 0.103 4.844 4.740 0.001 0.000 0.177 750 N C 0.212 175.733 175.510 0.019 0.000 1.024 750 N CA 0.968 54.018 53.050 0.000 0.000 0.893 750 N CB 0.149 38.631 38.487 -0.008 0.000 0.980 750 N HN 0.489 nan 8.380 nan 0.000 0.439 751 S N -0.021 115.697 115.700 0.031 0.000 2.732 751 S HA 0.404 4.875 4.470 0.001 0.000 0.293 751 S C -0.665 173.987 174.600 0.086 0.000 1.159 751 S CA -0.834 57.397 58.200 0.052 0.000 0.847 751 S CB 1.981 65.211 63.200 0.051 0.000 1.169 751 S HN -0.109 nan 8.310 nan 0.000 0.501 752 K N 2.521 122.979 120.400 0.097 0.000 2.382 752 K HA 0.257 4.578 4.320 0.001 0.000 0.275 752 K C -2.453 174.249 176.600 0.169 0.000 1.009 752 K CA -1.255 55.110 56.287 0.131 0.000 0.970 752 K CB -0.129 32.444 32.500 0.120 0.000 0.934 752 K HN 0.304 nan 8.250 nan 0.000 0.479 753 P HA -0.081 nan 4.420 nan 0.000 0.263 753 P C -0.836 176.663 177.300 0.332 0.000 1.195 753 P CA -0.001 63.258 63.100 0.266 0.000 0.762 753 P CB 0.407 32.159 31.700 0.086 0.000 0.799 754 N N 3.549 122.483 118.700 0.391 0.000 2.415 754 N HA 0.029 4.770 4.740 0.001 0.000 0.250 754 N C 1.188 176.938 175.510 0.400 0.000 1.127 754 N CA -0.064 53.173 53.050 0.312 0.000 0.945 754 N CB 0.164 38.787 38.487 0.227 0.000 1.196 754 N HN -0.024 nan 8.380 nan 0.000 0.499 755 V N 3.252 123.305 119.914 0.231 0.000 2.255 755 V HA -0.261 3.860 4.120 0.001 0.000 0.247 755 V C 1.351 177.524 176.094 0.132 0.000 1.051 755 V CA 1.867 64.219 62.300 0.087 0.000 1.018 755 V CB -0.474 31.196 31.823 -0.254 0.000 0.641 755 V HN 0.593 nan 8.190 nan 0.000 0.445 756 D N -0.741 119.716 120.400 0.095 0.000 2.218 756 D HA -0.172 4.469 4.640 0.001 0.000 0.204 756 D C 2.096 178.452 176.300 0.093 0.000 0.976 756 D CA 1.337 55.385 54.000 0.079 0.000 0.853 756 D CB -0.057 40.780 40.800 0.062 0.000 0.939 756 D HN 0.700 nan 8.370 nan 0.000 0.481 757 E N -0.673 119.611 120.200 0.140 0.000 2.015 757 E HA -0.210 4.141 4.350 0.001 0.000 0.191 757 E C 1.664 178.303 176.600 0.064 0.000 0.991 757 E CA 0.895 57.342 56.400 0.079 0.000 0.802 757 E CB -0.309 29.428 29.700 0.063 0.000 0.759 757 E HN 0.304 nan 8.360 nan 0.000 0.447 758 Y N 1.021 121.395 120.300 0.124 0.000 2.193 758 Y HA -0.218 4.333 4.550 0.002 0.000 0.285 758 Y C 2.459 178.406 175.900 0.078 0.000 1.166 758 Y CA 1.884 60.062 58.100 0.129 0.000 1.181 758 Y CB -0.259 38.354 38.460 0.254 0.000 0.976 758 Y HN 0.064 nan 8.280 nan 0.000 0.520 759 K N 0.000 120.527 120.400 0.211 0.000 2.025 759 K HA -0.187 4.134 4.320 0.001 0.000 0.207 759 K C 2.498 179.122 176.600 0.040 0.000 1.049 759 K CA 1.468 57.821 56.287 0.110 0.000 0.933 759 K CB -0.261 32.266 32.500 0.046 0.000 0.714 759 K HN 0.365 nan 8.250 nan 0.000 0.438 760 S N -0.036 115.653 115.700 -0.019 0.000 2.368 760 S HA -0.114 4.357 4.470 0.001 0.000 0.225 760 S C 2.017 176.444 174.600 -0.287 0.000 1.030 760 S CA 1.399 59.500 58.200 -0.166 0.000 0.999 760 S CB -0.501 62.596 63.200 -0.171 0.000 0.844 760 S HN 0.104 nan 8.310 nan 0.000 0.459 761 V N 2.056 121.877 119.914 -0.154 0.000 2.237 761 V HA -0.107 4.013 4.120 0.001 0.000 0.245 761 V C 2.540 178.605 176.094 -0.049 0.000 1.046 761 V CA 2.093 64.318 62.300 -0.125 0.000 1.007 761 V CB -0.725 31.030 31.823 -0.114 0.000 0.638 761 V HN 0.503 nan 8.190 nan 0.000 0.445 762 I N 0.210 120.771 120.570 -0.015 0.000 2.264 762 I HA -0.244 3.927 4.170 0.001 0.000 0.248 762 I C 2.051 178.201 176.117 0.055 0.000 1.111 762 I CA 1.470 62.764 61.300 -0.010 0.000 1.382 762 I CB -0.452 37.526 38.000 -0.037 0.000 1.060 762 I HN 0.313 nan 8.210 nan 0.000 0.418 763 D N -0.304 120.159 120.400 0.104 0.000 2.351 763 D HA -0.154 4.487 4.640 0.001 0.000 0.216 763 D C 1.419 177.925 176.300 0.343 0.000 0.968 763 D CA 1.198 55.323 54.000 0.208 0.000 0.899 763 D CB -0.112 40.828 40.800 0.233 0.000 0.907 763 D HN 0.414 nan 8.370 nan 0.000 0.514 764 H N -1.502 117.578 119.070 0.016 0.000 2.672 764 H HA 0.338 4.895 4.556 0.001 0.000 0.277 764 H C 0.245 175.574 175.328 0.002 0.000 1.074 764 H CA -0.185 55.869 56.048 0.011 0.000 1.173 764 H CB 0.070 29.837 29.762 0.008 0.000 1.558 764 H HN 0.056 nan 8.280 nan 0.000 0.539 765 M N 0.923 120.586 119.600 0.106 0.000 2.277 765 M HA 0.298 4.779 4.480 0.001 0.000 0.350 765 M C -0.273 176.046 176.300 0.032 0.000 1.180 765 M CA -0.477 54.851 55.300 0.046 0.000 1.103 765 M CB 1.794 34.398 32.600 0.007 0.000 1.577 765 M HN -0.036 nan 8.290 nan 0.000 0.459 766 I N 3.467 124.051 120.570 0.023 0.000 2.379 766 I HA 0.149 4.320 4.170 0.001 0.000 0.290 766 I C -0.459 175.669 176.117 0.018 0.000 1.063 766 I CA -0.265 61.048 61.300 0.022 0.000 1.351 766 I CB 0.134 38.145 38.000 0.019 0.000 1.410 766 I HN 0.462 nan 8.210 nan 0.000 0.505 767 I N 9.503 130.090 120.570 0.029 0.000 2.291 767 I HA 0.227 4.398 4.170 0.001 0.000 0.292 767 I C -1.622 174.535 176.117 0.066 0.000 1.064 767 I CA -1.585 59.734 61.300 0.032 0.000 1.269 767 I CB 0.275 38.301 38.000 0.044 0.000 1.418 767 I HN 0.436 nan 8.210 nan 0.000 0.485 768 P HA 0.144 nan 4.420 nan 0.000 0.271 768 P C -0.554 176.874 177.300 0.213 0.000 1.218 768 P CA -0.443 62.720 63.100 0.104 0.000 0.780 768 P CB 0.565 32.316 31.700 0.084 0.000 0.901 769 E N 1.507 121.806 120.200 0.165 0.000 2.351 769 E HA 0.306 4.657 4.350 0.001 0.000 0.255 769 E C -0.565 176.076 176.600 0.068 0.000 1.188 769 E CA -0.767 55.736 56.400 0.172 0.000 0.940 769 E CB 0.322 30.076 29.700 0.089 0.000 1.094 769 E HN 0.321 nan 8.360 nan 0.000 0.474 770 F N 1.301 121.049 119.950 -0.337 0.000 2.438 770 F HA 0.232 4.760 4.527 0.002 0.000 0.356 770 F C -0.737 174.874 175.800 -0.316 0.000 1.099 770 F CA -0.257 57.348 58.000 -0.659 0.000 1.185 770 F CB 0.865 39.451 39.000 -0.689 0.000 1.115 770 F HN 0.294 nan 8.300 nan 0.000 0.526 771 T N 7.326 121.309 114.554 -0.953 0.000 2.786 771 T HA 0.434 4.785 4.350 0.001 0.000 0.283 771 T C -2.671 171.270 174.700 -1.266 0.000 0.992 771 T CA -1.505 60.065 62.100 -0.884 0.000 0.954 771 T CB 1.192 69.793 68.868 -0.444 0.000 0.934 771 T HN 0.382 nan 8.240 nan 0.000 0.440 772 P HA 0.240 nan 4.420 nan 0.000 0.274 772 P C -0.705 176.161 177.300 -0.725 0.000 1.231 772 P CA -0.607 61.807 63.100 -1.142 0.000 0.790 772 P CB 0.805 31.699 31.700 -1.343 0.000 0.951 773 N N 0.347 118.757 118.700 -0.484 0.000 2.426 773 N HA 0.335 5.076 4.740 0.001 0.000 0.257 773 N C 0.922 176.347 175.510 -0.141 0.000 1.002 773 N CA -0.436 52.463 53.050 -0.251 0.000 0.942 773 N CB 0.652 39.068 38.487 -0.118 0.000 1.112 773 N HN 0.350 nan 8.380 nan 0.000 0.499 774 A N 3.539 126.313 122.820 -0.077 0.000 2.169 774 A HA 0.013 4.334 4.320 0.001 0.000 0.212 774 A C 1.179 178.826 177.584 0.104 0.000 1.153 774 A CA 0.631 52.748 52.037 0.132 0.000 0.756 774 A CB 0.022 19.080 19.000 0.098 0.000 0.813 774 A HN 0.755 nan 8.150 nan 0.000 0.471 775 N N -1.116 117.606 118.700 0.037 0.000 2.227 775 N HA 0.139 4.880 4.740 0.001 0.000 0.196 775 N C -0.454 175.068 175.510 0.020 0.000 1.142 775 N CA -0.033 53.031 53.050 0.023 0.000 0.887 775 N CB 0.525 39.016 38.487 0.005 0.000 1.022 775 N HN 0.337 nan 8.380 nan 0.000 0.500 776 L N 1.969 123.206 121.223 0.024 0.000 2.281 776 L HA 0.216 4.557 4.340 0.001 0.000 0.285 776 L C -0.231 176.653 176.870 0.024 0.000 1.074 776 L CA 0.103 54.957 54.840 0.024 0.000 0.817 776 L CB 0.588 42.662 42.059 0.024 0.000 1.168 776 L HN -0.221 nan 8.230 nan 0.000 0.434 777 K N 5.474 125.887 120.400 0.021 0.000 2.244 777 K HA 0.550 4.871 4.320 0.001 0.000 0.260 777 K C -0.984 175.651 176.600 0.057 0.000 0.951 777 K CA -0.381 55.914 56.287 0.013 0.000 0.826 777 K CB 1.704 34.215 32.500 0.019 0.000 1.108 777 K HN 0.469 nan 8.250 nan 0.000 0.433 778 I N 3.575 124.195 120.570 0.082 0.000 2.359 778 I HA 0.075 4.246 4.170 0.001 0.000 0.294 778 I C 0.379 176.677 176.117 0.302 0.000 0.987 778 I CA -0.619 60.791 61.300 0.184 0.000 1.225 778 I CB 1.508 39.651 38.000 0.238 0.000 1.366 778 I HN 0.589 nan 8.210 nan 0.000 0.466 779 Q N 5.391 125.329 119.800 0.230 0.000 2.306 779 Q HA 0.328 4.669 4.340 0.001 0.000 0.241 779 Q C -0.453 175.724 176.000 0.296 0.000 0.948 779 Q CA -0.678 55.267 55.803 0.236 0.000 0.886 779 Q CB 2.038 30.863 28.738 0.146 0.000 1.227 779 Q HN 0.488 nan 8.270 nan 0.000 0.457 780 V N 0.885 120.956 119.914 0.262 0.000 2.672 780 V HA 0.066 4.187 4.120 0.001 0.000 0.242 780 V C 0.103 176.292 176.094 0.158 0.000 1.059 780 V CA 0.661 63.117 62.300 0.260 0.000 1.081 780 V CB -0.007 31.856 31.823 0.068 0.000 0.752 780 V HN 0.784 nan 8.190 nan 0.000 0.472 781 N N 0.079 118.830 118.700 0.085 0.000 2.328 781 N HA 0.275 5.016 4.740 0.001 0.000 0.299 781 N C -0.220 175.322 175.510 0.053 0.000 1.179 781 N CA -0.474 52.601 53.050 0.042 0.000 0.793 781 N CB 1.670 40.156 38.487 -0.002 0.000 1.366 781 N HN -0.036 nan 8.380 nan 0.000 0.493 782 D N 0.278 120.701 120.400 0.037 0.000 2.218 782 D HA -0.105 4.535 4.640 0.001 0.000 0.204 782 D C 0.173 176.488 176.300 0.026 0.000 0.976 782 D CA 1.381 55.401 54.000 0.033 0.000 0.853 782 D CB -0.058 40.756 40.800 0.024 0.000 0.939 782 D HN 0.573 nan 8.370 nan 0.000 0.481 783 D N 0.157 120.567 120.400 0.017 0.000 2.363 783 D HA 0.012 4.653 4.640 0.001 0.000 0.226 783 D C -0.262 176.048 176.300 0.018 0.000 1.020 783 D CA 0.361 54.368 54.000 0.012 0.000 0.892 783 D CB 0.070 40.871 40.800 0.002 0.000 0.900 783 D HN 0.094 nan 8.370 nan 0.000 0.531 784 D N 0.951 121.369 120.400 0.029 0.000 2.177 784 D HA 0.225 4.866 4.640 0.001 0.000 0.247 784 D C -2.242 174.081 176.300 0.039 0.000 1.063 784 D CA -1.999 52.024 54.000 0.038 0.000 0.867 784 D CB 1.197 42.031 40.800 0.057 0.000 1.168 784 D HN -0.057 nan 8.370 nan 0.000 0.445 785 P HA 0.177 nan 4.420 nan 0.000 0.271 785 P C -0.504 176.823 177.300 0.046 0.000 1.218 785 P CA -0.116 63.004 63.100 0.034 0.000 0.780 785 P CB 1.141 32.857 31.700 0.026 0.000 0.901 786 D N 1.379 121.807 120.400 0.045 0.000 2.374 786 D HA 0.337 4.978 4.640 0.001 0.000 0.239 786 D C -1.894 174.431 176.300 0.041 0.000 0.991 786 D CA -1.279 52.743 54.000 0.036 0.000 0.960 786 D CB 1.215 42.031 40.800 0.028 0.000 1.284 786 D HN 0.248 nan 8.370 nan 0.000 0.512 798 I N -0.266 120.300 120.570 -0.006 0.000 2.729 798 I HA 0.179 4.350 4.170 0.001 0.000 0.256 798 I C 1.402 177.516 176.117 -0.006 0.000 1.115 798 I CA 0.566 61.862 61.300 -0.007 0.000 1.446 798 I CB -0.030 37.966 38.000 -0.008 0.000 1.176 798 I HN -0.231 nan 8.210 nan 0.000 0.446 799 D N 1.282 121.680 120.400 -0.002 0.000 2.183 799 D HA -0.119 4.522 4.640 0.001 0.000 0.203 799 D C 2.228 178.529 176.300 0.002 0.000 0.969 799 D CA 0.928 54.929 54.000 0.002 0.000 0.842 799 D CB -0.218 40.584 40.800 0.003 0.000 0.957 799 D HN 0.441 nan 8.370 nan 0.000 0.484 800 Q N 0.140 119.940 119.800 -0.000 0.000 2.061 800 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 800 Q C 2.261 178.259 176.000 -0.003 0.000 0.984 800 Q CA 0.911 56.714 55.803 -0.001 0.000 0.846 800 Q CB -0.222 28.514 28.738 -0.003 0.000 0.902 800 Q HN 0.340 nan 8.270 nan 0.000 0.421 801 L N -0.085 121.134 121.223 -0.007 0.000 2.141 801 L HA -0.162 4.179 4.340 0.001 0.000 0.209 801 L C 2.238 179.098 176.870 -0.016 0.000 1.094 801 L CA 0.493 55.325 54.840 -0.014 0.000 0.763 801 L CB -0.329 41.720 42.059 -0.017 0.000 0.908 801 L HN 0.089 nan 8.230 nan 0.000 0.437 802 V N -0.642 119.269 119.914 -0.005 0.000 2.239 802 V HA -0.192 3.929 4.120 0.001 0.000 0.236 802 V C 1.852 177.959 176.094 0.023 0.000 1.040 802 V CA 1.891 64.196 62.300 0.007 0.000 0.996 802 V CB -0.531 31.302 31.823 0.015 0.000 0.640 802 V HN 0.487 nan 8.190 nan 0.000 0.456 803 S N 0.595 116.311 115.700 0.026 0.000 2.859 803 S HA 0.041 4.512 4.470 0.001 0.000 0.245 803 S C 1.058 175.673 174.600 0.026 0.000 1.008 803 S CA 0.468 58.688 58.200 0.034 0.000 1.089 803 S CB -0.318 62.901 63.200 0.032 0.000 0.798 803 S HN 0.684 nan 8.310 nan 0.000 0.477 804 S N 0.189 115.900 115.700 0.017 0.000 2.663 804 S HA 0.389 4.860 4.470 0.001 0.000 0.243 804 S C -0.003 174.603 174.600 0.011 0.000 1.009 804 S CA -0.679 57.529 58.200 0.013 0.000 0.988 804 S CB -0.365 62.838 63.200 0.004 0.000 0.896 804 S HN 0.449 nan 8.310 nan 0.000 0.502 805 L N 2.944 124.180 121.223 0.022 0.000 2.264 805 L HA 0.465 4.806 4.340 0.001 0.000 0.289 805 L C -1.970 174.972 176.870 0.120 0.000 1.044 805 L CA -1.994 52.863 54.840 0.029 0.000 0.807 805 L CB 1.238 43.272 42.059 -0.042 0.000 1.192 805 L HN 0.054 nan 8.230 nan 0.000 0.425 806 P HA 0.042 nan 4.420 nan 0.000 0.235 806 P C -0.516 176.854 177.300 0.116 0.000 1.725 806 P CA -0.126 63.034 63.100 0.100 0.000 0.894 806 P CB -0.078 31.663 31.700 0.067 0.000 1.704 807 D N 0.876 121.369 120.400 0.155 0.000 10.092 807 D HA -0.130 4.511 4.640 0.001 0.000 0.312 807 D C -1.759 174.569 176.300 0.046 0.000 2.843 807 D CA -0.166 53.889 54.000 0.092 0.000 2.551 807 D CB 0.077 40.906 40.800 0.047 0.000 1.086 807 D HN 0.061 nan 8.370 nan 0.000 0.830 808 P HA -0.095 nan 4.420 nan 0.000 0.221 808 P C 1.428 178.698 177.300 -0.051 0.000 1.145 808 P CA 1.071 64.087 63.100 -0.139 0.000 0.795 808 P CB 0.166 31.696 31.700 -0.283 0.000 0.775 809 S N -1.365 114.316 115.700 -0.031 0.000 2.399 809 S HA -0.109 4.362 4.470 0.001 0.000 0.231 809 S C 1.591 176.190 174.600 -0.002 0.000 1.022 809 S CA 1.630 59.821 58.200 -0.016 0.000 0.983 809 S CB -1.091 62.102 63.200 -0.012 0.000 0.803 809 S HN 0.204 nan 8.310 nan 0.000 0.480 810 T N 1.484 116.042 114.554 0.007 0.000 3.072 810 T HA 0.152 4.503 4.350 0.001 0.000 0.266 810 T C 0.867 175.565 174.700 -0.003 0.000 1.127 810 T CA 0.698 62.800 62.100 0.003 0.000 1.107 810 T CB -0.068 68.806 68.868 0.010 0.000 0.910 810 T HN 0.331 nan 8.240 nan 0.000 0.513 811 L N 0.429 121.662 121.223 0.018 0.000 3.347 811 L HA 0.480 4.821 4.340 0.001 0.000 0.306 811 L C 0.505 177.428 176.870 0.088 0.000 1.301 811 L CA -0.708 54.158 54.840 0.043 0.000 0.985 811 L CB 0.116 42.228 42.059 0.089 0.000 1.400 811 L HN 0.035 nan 8.230 nan 0.000 0.601 812 A N 0.118 122.963 122.820 0.042 0.000 2.520 812 A HA 0.444 4.765 4.320 0.001 0.000 0.245 812 A C 1.454 179.075 177.584 0.061 0.000 1.072 812 A CA 0.944 53.001 52.037 0.033 0.000 0.761 812 A CB -0.056 18.948 19.000 0.008 0.000 1.004 812 A HN 0.755 nan 8.150 nan 0.000 0.499 813 G N 0.482 109.312 108.800 0.049 0.000 2.143 813 G HA2 -0.214 3.747 3.960 0.001 0.000 0.248 813 G HA3 -0.214 3.747 3.960 0.001 0.000 0.248 813 G C -0.139 174.826 174.900 0.108 0.000 0.991 813 G CA 0.581 45.710 45.100 0.049 0.000 0.689 813 G HN 1.604 nan 8.290 nan 0.000 0.522 814 F N 1.042 120.967 119.950 -0.041 0.000 2.482 814 F HA 0.771 5.299 4.527 0.002 0.000 0.331 814 F C -0.068 175.694 175.800 -0.064 0.000 1.115 814 F CA -1.126 56.849 58.000 -0.043 0.000 0.955 814 F CB 1.346 40.332 39.000 -0.023 0.000 1.136 814 F HN -0.018 nan 8.300 nan 0.000 0.452 815 K N 6.113 125.984 120.400 -0.881 0.000 2.426 815 K HA 0.565 4.886 4.320 0.001 0.000 0.251 815 K C -1.509 174.527 176.600 -0.940 0.000 0.941 815 K CA -0.891 54.961 56.287 -0.725 0.000 0.808 815 K CB 2.545 34.813 32.500 -0.386 0.000 1.265 815 K HN 0.628 nan 8.250 nan 0.000 0.432 816 L N 1.858 122.672 121.223 -0.681 0.000 2.325 816 L HA 0.317 4.658 4.340 0.001 0.000 0.279 816 L C -0.166 176.457 176.870 -0.413 0.000 1.054 816 L CA -0.626 53.849 54.840 -0.609 0.000 0.804 816 L CB 1.451 43.172 42.059 -0.562 0.000 1.200 816 L HN 0.568 nan 8.230 nan 0.000 0.436 817 E N 5.745 125.713 120.200 -0.387 0.000 2.055 817 E HA 0.286 4.636 4.350 0.001 0.000 0.274 817 E C -2.446 174.081 176.600 -0.122 0.000 0.949 817 E CA -2.266 53.956 56.400 -0.297 0.000 0.775 817 E CB 0.882 30.301 29.700 -0.468 0.000 1.097 817 E HN 0.094 nan 8.360 nan 0.000 0.404 818 P HA 0.044 nan 4.420 nan 0.000 0.275 818 P C -0.513 176.873 177.300 0.144 0.000 1.227 818 P CA -0.365 62.743 63.100 0.013 0.000 0.781 818 P CB 1.129 32.812 31.700 -0.028 0.000 0.906 819 V N 3.104 123.069 119.914 0.084 0.000 2.546 819 V HA 0.133 4.254 4.120 0.001 0.000 0.284 819 V C 0.569 176.715 176.094 0.086 0.000 1.050 819 V CA 0.226 62.553 62.300 0.046 0.000 0.981 819 V CB 0.921 32.635 31.823 -0.182 0.000 0.990 819 V HN 0.548 nan 8.190 nan 0.000 0.474 820 D N 4.386 124.891 120.400 0.175 0.000 2.485 820 D HA 0.147 4.788 4.640 0.001 0.000 0.229 820 D C -0.236 176.284 176.300 0.366 0.000 1.101 820 D CA -0.733 53.400 54.000 0.222 0.000 0.906 820 D CB 0.385 41.278 40.800 0.155 0.000 1.019 820 D HN 0.293 nan 8.370 nan 0.000 0.516 821 F N 3.328 123.452 119.950 0.290 0.000 2.473 821 F HA 0.035 4.563 4.527 0.001 0.000 0.405 821 F C 0.054 176.045 175.800 0.320 0.000 0.988 821 F CA 0.346 58.586 58.000 0.399 0.000 1.096 821 F CB 0.383 39.576 39.000 0.321 0.000 0.944 821 F HN 0.243 nan 8.300 nan 0.000 0.530 822 E N 6.275 126.391 120.200 -0.139 0.000 2.207 822 E HA 0.175 4.526 4.350 0.001 0.000 0.250 822 E C 0.532 176.748 176.600 -0.640 0.000 0.890 822 E CA -0.551 55.595 56.400 -0.423 0.000 0.749 822 E CB 0.778 30.325 29.700 -0.255 0.000 1.193 822 E HN 0.683 nan 8.360 nan 0.000 0.423 823 K N 2.664 122.594 120.400 -0.784 0.000 2.211 823 K HA -0.036 4.285 4.320 0.001 0.000 0.203 823 K C 0.116 176.578 176.600 -0.229 0.000 1.050 823 K CA 0.950 56.914 56.287 -0.539 0.000 0.945 823 K CB 0.265 32.553 32.500 -0.353 0.000 0.732 823 K HN 0.213 nan 8.250 nan 0.000 0.451 824 D N 1.234 121.515 120.400 -0.197 0.000 2.342 824 D HA 0.025 4.666 4.640 0.001 0.000 0.221 824 D C -0.681 175.546 176.300 -0.123 0.000 1.101 824 D CA 0.317 54.252 54.000 -0.109 0.000 0.837 824 D CB 0.220 40.978 40.800 -0.070 0.000 0.938 824 D HN 0.205 nan 8.370 nan 0.000 0.508 825 D N 0.960 121.248 120.400 -0.186 0.000 2.473 825 D HA 0.047 4.688 4.640 0.001 0.000 0.226 825 D C 0.445 176.631 176.300 -0.190 0.000 1.089 825 D CA -0.376 53.512 54.000 -0.188 0.000 0.883 825 D CB 0.834 41.492 40.800 -0.237 0.000 1.029 825 D HN -0.213 nan 8.370 nan 0.000 0.517 826 D N 1.355 121.677 120.400 -0.130 0.000 2.350 826 D HA -0.113 4.528 4.640 0.001 0.000 0.216 826 D C 1.720 177.930 176.300 -0.150 0.000 0.968 826 D CA 0.896 54.830 54.000 -0.110 0.000 0.894 826 D CB 0.207 40.968 40.800 -0.066 0.000 0.909 826 D HN 0.503 nan 8.370 nan 0.000 0.520 827 T N -2.149 112.295 114.554 -0.184 0.000 3.086 827 T HA -0.011 4.340 4.350 0.001 0.000 0.250 827 T C 1.066 175.545 174.700 -0.369 0.000 1.074 827 T CA -0.154 61.803 62.100 -0.238 0.000 0.988 827 T CB -0.556 68.219 68.868 -0.154 0.000 0.988 827 T HN 0.297 nan 8.240 nan 0.000 0.530 828 N N 0.255 118.751 118.700 -0.340 0.000 2.280 828 N HA -0.026 4.714 4.740 0.001 0.000 0.192 828 N C 0.246 175.723 175.510 -0.054 0.000 1.109 828 N CA -0.235 52.635 53.050 -0.300 0.000 0.855 828 N CB -0.349 37.836 38.487 -0.503 0.000 0.974 828 N HN 0.385 nan 8.380 nan 0.000 0.482 829 H N -1.635 117.471 119.070 0.060 0.000 3.642 829 H HA -0.161 4.396 4.556 0.002 0.000 0.185 829 H C 0.434 175.946 175.328 0.306 0.000 0.992 829 H CA 1.495 57.643 56.048 0.167 0.000 1.216 829 H CB -1.582 28.260 29.762 0.134 0.000 1.055 829 H HN 0.490 nan 8.280 nan 0.000 0.351 830 H N 0.774 119.934 119.070 0.151 0.000 2.256 830 H HA -0.011 4.546 4.556 0.001 0.000 0.299 830 H C 2.541 177.937 175.328 0.113 0.000 1.071 830 H CA 1.483 57.603 56.048 0.120 0.000 1.280 830 H CB -0.150 29.652 29.762 0.066 0.000 1.370 830 H HN 0.240 nan 8.280 nan 0.000 0.490 831 I N 0.943 121.660 120.570 0.246 0.000 2.286 831 I HA -0.183 3.988 4.170 0.001 0.000 0.248 831 I C 2.368 178.587 176.117 0.169 0.000 1.115 831 I CA 1.031 62.442 61.300 0.185 0.000 1.392 831 I CB -1.006 37.065 38.000 0.119 0.000 1.065 831 I HN 0.399 nan 8.210 nan 0.000 0.418 832 E N 0.559 120.862 120.200 0.171 0.000 2.070 832 E HA -0.300 4.051 4.350 0.001 0.000 0.197 832 E C 2.308 179.063 176.600 0.259 0.000 1.004 832 E CA 1.683 58.184 56.400 0.169 0.000 0.805 832 E CB -0.214 29.617 29.700 0.218 0.000 0.744 832 E HN 0.379 nan 8.360 nan 0.000 0.451 833 F N 0.923 121.004 119.950 0.218 0.000 2.084 833 F HA -0.118 4.410 4.527 0.001 0.000 0.296 833 F C 2.084 178.068 175.800 0.306 0.000 1.111 833 F CA 1.443 59.615 58.000 0.285 0.000 1.224 833 F CB -0.234 38.984 39.000 0.362 0.000 0.991 833 F HN -0.027 nan 8.300 nan 0.000 0.471 834 I N -0.036 120.727 120.570 0.322 0.000 2.151 834 I HA -0.375 3.796 4.170 0.001 0.000 0.243 834 I C 2.249 178.434 176.117 0.112 0.000 1.080 834 I CA 1.918 63.330 61.300 0.185 0.000 1.339 834 I CB -1.005 37.066 38.000 0.119 0.000 1.039 834 I HN 0.193 nan 8.210 nan 0.000 0.409 835 T N 0.711 115.333 114.554 0.114 0.000 2.652 835 T HA -0.202 4.149 4.350 0.001 0.000 0.267 835 T C 2.074 176.827 174.700 0.088 0.000 1.039 835 T CA 1.620 63.775 62.100 0.092 0.000 1.153 835 T CB -0.445 68.466 68.868 0.073 0.000 0.863 835 T HN 0.500 nan 8.240 nan 0.000 0.428 836 A N 0.340 123.222 122.820 0.105 0.000 1.902 836 A HA -0.129 4.192 4.320 0.001 0.000 0.217 836 A C 2.734 180.400 177.584 0.137 0.000 1.181 836 A CA 1.648 53.781 52.037 0.161 0.000 0.623 836 A CB -1.411 17.756 19.000 0.278 0.000 0.818 836 A HN 0.638 nan 8.150 nan 0.000 0.443 837 C N -0.981 118.387 119.300 0.114 0.000 2.446 837 C HA -0.026 4.435 4.460 0.001 0.000 0.277 837 C C 3.170 178.314 174.990 0.256 0.000 1.275 837 C CA 1.609 60.778 59.018 0.251 0.000 1.727 837 C CB -1.032 26.718 27.740 0.018 0.000 2.010 837 C HN 0.616 nan 8.230 nan 0.000 0.486 838 S N 0.789 116.600 115.700 0.186 0.000 2.355 838 S HA -0.129 4.342 4.470 0.001 0.000 0.222 838 S C 1.722 176.351 174.600 0.048 0.000 1.031 838 S CA 1.874 60.173 58.200 0.165 0.000 0.993 838 S CB -0.538 62.745 63.200 0.138 0.000 0.859 838 S HN 0.733 nan 8.310 nan 0.000 0.453 839 N N 0.856 119.569 118.700 0.021 0.000 2.309 839 N HA -0.014 4.727 4.740 0.001 0.000 0.182 839 N C 1.792 177.230 175.510 -0.120 0.000 1.018 839 N CA 1.180 54.218 53.050 -0.020 0.000 0.876 839 N CB -0.985 37.514 38.487 0.019 0.000 0.972 839 N HN 0.458 nan 8.380 nan 0.000 0.434 840 C N 0.404 119.538 119.300 -0.276 0.000 2.446 840 C HA -0.002 4.459 4.460 0.001 0.000 0.277 840 C C 2.731 177.369 174.990 -0.587 0.000 1.275 840 C CA 0.272 58.898 59.018 -0.654 0.000 1.727 840 C CB -0.796 25.971 27.740 -1.623 0.000 2.010 840 C HN 0.497 nan 8.230 nan 0.000 0.486 841 R N 1.448 121.734 120.500 -0.357 0.000 2.092 841 R HA -0.067 4.274 4.340 0.001 0.000 0.231 841 R C 2.132 178.385 176.300 -0.079 0.000 1.119 841 R CA 1.669 57.673 56.100 -0.160 0.000 0.970 841 R CB -0.389 29.721 30.300 -0.317 0.000 0.864 841 R HN 0.424 nan 8.270 nan 0.000 0.440 842 A N 0.815 123.584 122.820 -0.085 0.000 1.933 842 A HA -0.201 4.120 4.320 0.001 0.000 0.218 842 A C 2.065 179.606 177.584 -0.071 0.000 1.175 842 A CA 1.484 53.499 52.037 -0.037 0.000 0.628 842 A CB -0.480 18.507 19.000 -0.021 0.000 0.814 842 A HN 0.538 nan 8.150 nan 0.000 0.444 843 Q N -0.440 119.276 119.800 -0.139 0.000 2.084 843 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 843 Q C 1.963 177.737 176.000 -0.375 0.000 0.978 843 Q CA 1.695 57.373 55.803 -0.208 0.000 0.844 843 Q CB -0.316 28.332 28.738 -0.151 0.000 0.898 843 Q HN 0.815 nan 8.270 nan 0.000 0.426 844 N N -0.599 117.920 118.700 -0.302 0.000 2.061 844 N HA -0.198 4.543 4.740 0.001 0.000 0.193 844 N C 0.602 175.775 175.510 -0.562 0.000 1.030 844 N CA 1.259 54.072 53.050 -0.396 0.000 0.856 844 N CB -0.014 38.335 38.487 -0.230 0.000 1.023 844 N HN 0.226 nan 8.380 nan 0.000 0.424 845 Y N -0.892 119.227 120.300 -0.302 0.000 2.607 845 Y HA 0.270 4.821 4.550 0.001 0.000 0.266 845 Y C -0.605 175.358 175.900 0.105 0.000 1.178 845 Y CA -0.503 57.553 58.100 -0.074 0.000 1.226 845 Y CB -0.275 38.182 38.460 -0.005 0.000 1.144 845 Y HN -0.072 nan 8.280 nan 0.000 0.528 846 F N -0.467 119.525 119.950 0.069 0.000 2.983 846 F HA -0.273 4.255 4.527 0.001 0.000 0.288 846 F C -0.410 175.425 175.800 0.058 0.000 0.980 846 F CA 0.004 58.030 58.000 0.043 0.000 0.965 846 F CB -2.240 36.775 39.000 0.025 0.000 0.967 846 F HN -0.063 nan 8.300 nan 0.000 0.800 847 I N -0.079 120.579 120.570 0.147 0.000 2.493 847 I HA 0.285 4.456 4.170 0.001 0.000 0.298 847 I C 0.663 176.818 176.117 0.062 0.000 0.998 847 I CA -0.902 60.459 61.300 0.102 0.000 1.137 847 I CB 1.402 39.444 38.000 0.070 0.000 1.310 847 I HN 0.039 nan 8.210 nan 0.000 0.445 848 E N 3.264 123.496 120.200 0.053 0.000 2.465 848 E HA 0.039 4.390 4.350 0.001 0.000 0.260 848 E C -0.088 176.526 176.600 0.024 0.000 0.980 848 E CA 0.112 56.534 56.400 0.037 0.000 0.927 848 E CB 0.507 30.224 29.700 0.029 0.000 0.934 848 E HN 0.613 nan 8.360 nan 0.000 0.459 849 T N 0.253 114.819 114.554 0.020 0.000 2.899 849 T HA 0.522 4.873 4.350 0.001 0.000 0.295 849 T C 0.075 174.790 174.700 0.024 0.000 1.033 849 T CA -0.917 61.194 62.100 0.018 0.000 1.084 849 T CB 1.385 70.262 68.868 0.015 0.000 0.979 849 T HN 0.404 nan 8.240 nan 0.000 0.532 850 A N 2.344 125.183 122.820 0.032 0.000 2.320 850 A HA 0.644 4.965 4.320 0.001 0.000 0.334 850 A C 0.205 177.816 177.584 0.045 0.000 1.147 850 A CA -0.939 51.122 52.037 0.040 0.000 0.820 850 A CB 0.582 19.612 19.000 0.050 0.000 1.218 850 A HN 1.019 nan 8.150 nan 0.000 0.482 851 D N -0.049 120.379 120.400 0.047 0.000 2.398 851 D HA 0.089 4.730 4.640 0.001 0.000 0.247 851 D C 1.156 177.494 176.300 0.063 0.000 1.227 851 D CA -0.286 53.742 54.000 0.046 0.000 0.980 851 D CB 0.373 41.196 40.800 0.038 0.000 1.106 851 D HN 0.619 nan 8.370 nan 0.000 0.493 852 R N -0.394 120.138 120.500 0.053 0.000 2.189 852 R HA -0.135 4.206 4.340 0.001 0.000 0.218 852 R C 1.492 177.859 176.300 0.112 0.000 1.074 852 R CA 0.823 56.964 56.100 0.069 0.000 0.991 852 R CB -0.408 29.913 30.300 0.034 0.000 0.883 852 R HN 0.480 nan 8.270 nan 0.000 0.457 853 Q N 1.345 121.217 119.800 0.120 0.000 2.123 853 Q HA -0.093 4.248 4.340 0.001 0.000 0.199 853 Q C 1.557 177.743 176.000 0.309 0.000 0.966 853 Q CA 1.142 57.066 55.803 0.200 0.000 0.845 853 Q CB -0.329 28.488 28.738 0.133 0.000 0.907 853 Q HN 0.375 nan 8.270 nan 0.000 0.439 854 K N 0.771 121.300 120.400 0.215 0.000 2.155 854 K HA -0.029 4.292 4.320 0.001 0.000 0.203 854 K C 1.771 178.490 176.600 0.199 0.000 1.052 854 K CA 1.263 57.668 56.287 0.196 0.000 0.948 854 K CB 0.207 32.774 32.500 0.111 0.000 0.728 854 K HN 0.195 nan 8.250 nan 0.000 0.448 855 T N 1.118 115.768 114.554 0.161 0.000 2.812 855 T HA -0.099 4.252 4.350 0.001 0.000 0.264 855 T C 1.745 176.540 174.700 0.157 0.000 1.042 855 T CA 1.079 63.263 62.100 0.139 0.000 1.140 855 T CB -0.020 68.918 68.868 0.117 0.000 0.870 855 T HN 0.284 nan 8.240 nan 0.000 0.445 856 K N 0.227 120.740 120.400 0.189 0.000 2.103 856 K HA -0.138 4.183 4.320 0.001 0.000 0.207 856 K C 2.081 178.790 176.600 0.183 0.000 1.048 856 K CA 1.245 57.653 56.287 0.201 0.000 0.930 856 K CB -0.305 32.326 32.500 0.218 0.000 0.716 856 K HN 0.350 nan 8.250 nan 0.000 0.444 857 F N 1.371 121.311 119.950 -0.016 0.000 2.113 857 F HA -0.116 4.412 4.527 0.002 0.000 0.297 857 F C 1.801 177.514 175.800 -0.145 0.000 1.103 857 F CA 1.381 59.221 58.000 -0.268 0.000 1.248 857 F CB -0.105 38.477 39.000 -0.697 0.000 0.999 857 F HN -0.062 nan 8.300 nan 0.000 0.475 858 I N -0.015 120.506 120.570 -0.080 0.000 2.333 858 I HA -0.152 4.019 4.170 0.001 0.000 0.246 858 I C 2.623 178.683 176.117 -0.094 0.000 1.106 858 I CA 1.041 62.255 61.300 -0.143 0.000 1.411 858 I CB -0.816 37.202 38.000 0.029 0.000 1.082 858 I HN 0.223 nan 8.210 nan 0.000 0.420 859 A N 0.598 123.418 122.820 0.000 0.000 1.929 859 A HA -0.019 4.302 4.320 0.001 0.000 0.216 859 A C 2.242 179.871 177.584 0.075 0.000 1.176 859 A CA 1.614 53.658 52.037 0.013 0.000 0.628 859 A CB -1.090 17.930 19.000 0.034 0.000 0.816 859 A HN 0.445 nan 8.150 nan 0.000 0.444 860 G N -1.661 107.224 108.800 0.142 0.000 2.985 860 G HA2 0.210 4.171 3.960 0.001 0.000 0.209 860 G HA3 0.210 4.171 3.960 0.001 0.000 0.209 860 G C 0.633 175.552 174.900 0.032 0.000 1.165 860 G CA 0.076 45.299 45.100 0.205 0.000 0.776 860 G HN 0.473 nan 8.290 nan 0.000 0.541 861 R N -0.760 119.675 120.500 -0.109 0.000 3.405 861 R HA -0.164 4.177 4.340 0.001 0.000 0.258 861 R C -0.270 175.899 176.300 -0.219 0.000 1.030 861 R CA 0.303 56.280 56.100 -0.205 0.000 0.691 861 R CB -2.203 28.044 30.300 -0.089 0.000 1.093 861 R HN 0.396 nan 8.270 nan 0.000 0.448 862 I N 1.245 121.643 120.570 -0.287 0.000 2.588 862 I HA 0.068 4.239 4.170 0.001 0.000 0.283 862 I C 1.150 177.190 176.117 -0.130 0.000 1.119 862 I CA 0.034 61.265 61.300 -0.116 0.000 1.419 862 I CB 0.613 38.642 38.000 0.047 0.000 1.394 862 I HN 0.077 nan 8.210 nan 0.000 0.562 863 I N 8.411 128.999 120.570 0.031 0.000 2.304 863 I HA 0.264 4.434 4.170 0.001 0.000 0.291 863 I C -2.099 174.145 176.117 0.212 0.000 1.018 863 I CA -1.887 59.470 61.300 0.095 0.000 1.260 863 I CB 0.602 38.642 38.000 0.066 0.000 1.390 863 I HN 0.283 nan 8.210 nan 0.000 0.475 864 P HA 0.143 nan 4.420 nan 0.000 0.264 864 P C -0.791 176.627 177.300 0.197 0.000 1.183 864 P CA 0.090 63.379 63.100 0.315 0.000 0.763 864 P CB 0.667 32.543 31.700 0.292 0.000 0.807 865 A N 3.231 126.157 122.820 0.175 0.000 2.572 865 A HA 0.822 5.143 4.320 0.001 0.000 0.295 865 A C -1.438 176.208 177.584 0.103 0.000 1.072 865 A CA -0.590 51.518 52.037 0.117 0.000 0.691 865 A CB 1.245 20.306 19.000 0.102 0.000 1.291 865 A HN 0.550 nan 8.150 nan 0.000 0.404 866 I N 0.454 121.068 120.570 0.073 0.000 2.802 866 I HA 0.592 4.763 4.170 0.001 0.000 0.298 866 I C 0.984 177.123 176.117 0.037 0.000 1.176 866 I CA -0.417 60.921 61.300 0.064 0.000 1.025 866 I CB 2.293 40.332 38.000 0.065 0.000 1.243 866 I HN 0.893 nan 8.210 nan 0.000 0.424 867 A N 3.782 126.621 122.820 0.033 0.000 2.024 867 A HA -0.125 4.196 4.320 0.001 0.000 0.220 867 A C 1.878 179.444 177.584 -0.030 0.000 1.164 867 A CA 2.513 54.548 52.037 -0.002 0.000 0.643 867 A CB -0.866 18.129 19.000 -0.009 0.000 0.806 867 A HN 0.860 nan 8.150 nan 0.000 0.451 868 T N -0.641 113.902 114.554 -0.019 0.000 2.674 868 T HA -0.117 4.234 4.350 0.001 0.000 0.265 868 T C 2.016 176.683 174.700 -0.054 0.000 1.039 868 T CA 2.188 64.265 62.100 -0.039 0.000 1.150 868 T CB -0.392 68.464 68.868 -0.020 0.000 0.864 868 T HN 0.575 nan 8.240 nan 0.000 0.427 869 T N 1.197 115.727 114.554 -0.039 0.000 2.867 869 T HA -0.060 4.291 4.350 0.001 0.000 0.268 869 T C 2.132 176.817 174.700 -0.025 0.000 1.057 869 T CA 1.475 63.551 62.100 -0.039 0.000 1.136 869 T CB -0.502 68.348 68.868 -0.030 0.000 0.874 869 T HN 0.414 nan 8.240 nan 0.000 0.466 870 T N 1.970 116.511 114.554 -0.022 0.000 2.701 870 T HA -0.089 4.261 4.350 0.001 0.000 0.263 870 T C 2.442 177.120 174.700 -0.037 0.000 1.040 870 T CA 1.403 63.489 62.100 -0.022 0.000 1.147 870 T CB -0.460 68.396 68.868 -0.019 0.000 0.865 870 T HN 0.324 nan 8.240 nan 0.000 0.426 871 S N 1.895 117.559 115.700 -0.060 0.000 2.359 871 S HA -0.105 4.366 4.470 0.001 0.000 0.223 871 S C 1.968 176.552 174.600 -0.025 0.000 1.039 871 S CA 0.937 59.097 58.200 -0.066 0.000 1.042 871 S CB -0.688 62.454 63.200 -0.097 0.000 0.915 871 S HN 0.268 nan 8.310 nan 0.000 0.439 872 L N 2.251 123.449 121.223 -0.042 0.000 1.989 872 L HA -0.055 4.286 4.340 0.001 0.000 0.211 872 L C 2.272 179.192 176.870 0.082 0.000 1.071 872 L CA 1.847 56.673 54.840 -0.023 0.000 0.749 872 L CB -1.440 40.554 42.059 -0.108 0.000 0.890 872 L HN 0.214 nan 8.230 nan 0.000 0.431 873 V N -0.001 119.942 119.914 0.048 0.000 2.343 873 V HA -0.269 3.852 4.120 0.001 0.000 0.247 873 V C 2.609 178.739 176.094 0.061 0.000 1.051 873 V CA 2.051 64.388 62.300 0.062 0.000 1.036 873 V CB -0.756 31.086 31.823 0.031 0.000 0.654 873 V HN 0.536 nan 8.190 nan 0.000 0.451 874 T N 0.016 114.587 114.554 0.029 0.000 2.788 874 T HA -0.103 4.248 4.350 0.001 0.000 0.268 874 T C 1.895 176.632 174.700 0.061 0.000 1.044 874 T CA 1.352 63.460 62.100 0.014 0.000 1.139 874 T CB -0.594 68.250 68.868 -0.041 0.000 0.867 874 T HN 0.618 nan 8.240 nan 0.000 0.454 875 G N 1.537 110.392 108.800 0.092 0.000 2.446 875 G HA2 -0.162 3.799 3.960 0.001 0.000 0.217 875 G HA3 -0.162 3.799 3.960 0.001 0.000 0.217 875 G C 1.462 176.458 174.900 0.160 0.000 1.168 875 G CA 0.540 45.727 45.100 0.146 0.000 0.771 875 G HN 0.448 nan 8.290 nan 0.000 0.551 876 L N 0.178 121.505 121.223 0.173 0.000 2.141 876 L HA -0.051 4.290 4.340 0.001 0.000 0.209 876 L C 2.988 179.953 176.870 0.159 0.000 1.094 876 L CA 0.200 55.151 54.840 0.184 0.000 0.763 876 L CB -0.308 41.900 42.059 0.248 0.000 0.908 876 L HN 0.099 nan 8.230 nan 0.000 0.437 877 V N -0.013 119.980 119.914 0.130 0.000 2.295 877 V HA -0.279 3.842 4.120 0.001 0.000 0.246 877 V C 2.113 178.274 176.094 0.112 0.000 1.049 877 V CA 1.819 64.192 62.300 0.122 0.000 1.024 877 V CB -0.623 31.265 31.823 0.109 0.000 0.648 877 V HN 0.525 nan 8.190 nan 0.000 0.447 878 N N -0.006 118.757 118.700 0.104 0.000 2.381 878 N HA -0.041 4.700 4.740 0.001 0.000 0.182 878 N C 1.693 177.151 175.510 -0.086 0.000 1.025 878 N CA 1.042 54.112 53.050 0.033 0.000 0.888 878 N CB -0.057 38.478 38.487 0.081 0.000 0.965 878 N HN 0.431 nan 8.380 nan 0.000 0.438 879 L N 0.428 121.701 121.223 0.085 0.000 2.313 879 L HA -0.021 4.320 4.340 0.001 0.000 0.214 879 L C 2.034 178.994 176.870 0.150 0.000 1.119 879 L CA 0.631 55.592 54.840 0.202 0.000 0.809 879 L CB -0.002 42.194 42.059 0.229 0.000 0.933 879 L HN -0.077 nan 8.230 nan 0.000 0.449 880 E N 0.391 120.646 120.200 0.092 0.000 2.230 880 E HA -0.122 4.229 4.350 0.001 0.000 0.192 880 E C 2.038 178.654 176.600 0.025 0.000 0.987 880 E CA 0.494 56.951 56.400 0.096 0.000 0.841 880 E CB -0.073 29.712 29.700 0.142 0.000 0.783 880 E HN 0.301 nan 8.360 nan 0.000 0.481 881 L N -0.392 120.785 121.223 -0.078 0.000 2.042 881 L HA -0.243 4.098 4.340 0.001 0.000 0.210 881 L C 1.797 178.508 176.870 -0.265 0.000 1.076 881 L CA 1.516 56.210 54.840 -0.243 0.000 0.749 881 L CB -0.258 41.655 42.059 -0.243 0.000 0.893 881 L HN 0.263 nan 8.230 nan 0.000 0.432 882 Y N 0.088 120.348 120.300 -0.066 0.000 2.207 882 Y HA -0.318 4.232 4.550 0.001 0.000 0.287 882 Y C 2.550 178.458 175.900 0.013 0.000 1.156 882 Y CA 1.603 59.700 58.100 -0.004 0.000 1.182 882 Y CB -0.244 38.224 38.460 0.012 0.000 0.979 882 Y HN 0.164 nan 8.280 nan 0.000 0.521 883 K N 0.187 120.642 120.400 0.092 0.000 2.097 883 K HA -0.168 4.153 4.320 0.001 0.000 0.206 883 K C 1.869 178.476 176.600 0.012 0.000 1.049 883 K CA 1.378 57.635 56.287 -0.050 0.000 0.933 883 K CB -0.306 32.008 32.500 -0.310 0.000 0.717 883 K HN 0.320 nan 8.250 nan 0.000 0.442 884 L N 0.777 121.991 121.223 -0.015 0.000 2.056 884 L HA -0.172 4.169 4.340 0.001 0.000 0.207 884 L C 2.252 179.041 176.870 -0.135 0.000 1.078 884 L CA 0.700 55.478 54.840 -0.105 0.000 0.749 884 L CB -0.513 41.291 42.059 -0.425 0.000 0.901 884 L HN 0.163 nan 8.230 nan 0.000 0.433 885 I N 0.211 120.673 120.570 -0.180 0.000 2.264 885 I HA -0.294 3.877 4.170 0.001 0.000 0.248 885 I C 1.783 177.919 176.117 0.032 0.000 1.111 885 I CA 1.591 62.792 61.300 -0.166 0.000 1.382 885 I CB -0.998 36.763 38.000 -0.399 0.000 1.060 885 I HN 0.297 nan 8.210 nan 0.000 0.418 886 D N 0.917 121.419 120.400 0.170 0.000 2.324 886 D HA -0.060 4.581 4.640 0.001 0.000 0.235 886 D C 0.120 176.518 176.300 0.164 0.000 1.095 886 D CA -0.002 54.152 54.000 0.257 0.000 0.871 886 D CB -0.722 40.220 40.800 0.236 0.000 0.906 886 D HN 0.316 nan 8.370 nan 0.000 0.522 887 N N 0.633 119.397 118.700 0.107 0.000 2.699 887 N HA -0.239 4.502 4.740 0.001 0.000 0.256 887 N C -0.697 174.874 175.510 0.102 0.000 0.993 887 N CA 0.456 53.559 53.050 0.088 0.000 0.759 887 N CB -0.629 37.900 38.487 0.070 0.000 0.906 887 N HN 0.303 nan 8.380 nan 0.000 0.541 888 K N -0.056 120.422 120.400 0.130 0.000 2.401 888 K HA 0.061 4.382 4.320 0.001 0.000 0.278 888 K C 1.097 177.818 176.600 0.202 0.000 1.018 888 K CA 0.292 56.641 56.287 0.103 0.000 0.981 888 K CB 0.800 33.236 32.500 -0.108 0.000 0.933 888 K HN 0.154 nan 8.250 nan 0.000 0.477 889 T N 0.867 115.493 114.554 0.121 0.000 3.000 889 T HA -0.057 4.294 4.350 0.001 0.000 0.248 889 T C -0.349 174.417 174.700 0.110 0.000 1.034 889 T CA 0.257 62.414 62.100 0.094 0.000 1.060 889 T CB 0.108 69.002 68.868 0.043 0.000 0.983 889 T HN 0.585 nan 8.240 nan 0.000 0.482 890 D N 1.310 121.774 120.400 0.106 0.000 2.316 890 D HA 0.152 4.793 4.640 0.001 0.000 0.245 890 D C 1.178 177.584 176.300 0.176 0.000 1.171 890 D CA -0.187 53.868 54.000 0.092 0.000 0.856 890 D CB 0.278 41.100 40.800 0.037 0.000 1.090 890 D HN 0.180 nan 8.370 nan 0.000 0.476 891 I N 3.270 123.944 120.570 0.173 0.000 2.335 891 I HA -0.215 3.955 4.170 0.001 0.000 0.251 891 I C 1.381 177.633 176.117 0.224 0.000 1.129 891 I CA 1.140 62.576 61.300 0.227 0.000 1.402 891 I CB 0.200 38.271 38.000 0.119 0.000 1.069 891 I HN 0.516 nan 8.210 nan 0.000 0.424 892 E N 0.081 120.357 120.200 0.126 0.000 2.515 892 E HA -0.194 4.157 4.350 0.001 0.000 0.201 892 E C 1.632 178.260 176.600 0.046 0.000 1.071 892 E CA 0.322 56.774 56.400 0.086 0.000 0.880 892 E CB 0.022 29.752 29.700 0.049 0.000 0.828 892 E HN 0.594 nan 8.360 nan 0.000 0.540 893 Q N -0.498 119.311 119.800 0.014 0.000 2.354 893 Q HA 0.025 4.366 4.340 0.001 0.000 0.203 893 Q C 0.153 176.048 176.000 -0.175 0.000 0.933 893 Q CA 0.670 56.389 55.803 -0.139 0.000 0.901 893 Q CB 0.016 28.590 28.738 -0.272 0.000 1.007 893 Q HN 0.346 nan 8.270 nan 0.000 0.495 894 Y N 0.836 121.148 120.300 0.021 0.000 2.307 894 Y HA 0.243 4.794 4.550 0.002 0.000 0.324 894 Y C 0.595 176.533 175.900 0.063 0.000 1.238 894 Y CA -0.161 57.962 58.100 0.037 0.000 1.280 894 Y CB 0.874 39.362 38.460 0.048 0.000 1.248 894 Y HN -0.361 nan 8.280 nan 0.000 0.508 895 K N 2.681 123.228 120.400 0.245 0.000 2.502 895 K HA 0.283 4.604 4.320 0.001 0.000 0.254 895 K C -1.421 175.355 176.600 0.294 0.000 0.947 895 K CA -0.814 55.623 56.287 0.251 0.000 0.834 895 K CB 1.514 34.085 32.500 0.120 0.000 1.112 895 K HN 0.637 nan 8.250 nan 0.000 0.427 896 N N 0.899 119.754 118.700 0.259 0.000 2.488 896 N HA 0.277 5.018 4.740 0.001 0.000 0.274 896 N C 0.045 175.500 175.510 -0.090 0.000 1.111 896 N CA 0.033 53.122 53.050 0.065 0.000 0.974 896 N CB 1.494 40.013 38.487 0.054 0.000 1.089 896 N HN 0.677 nan 8.380 nan 0.000 0.465 897 G N 0.824 109.394 108.800 -0.384 0.000 2.388 897 G HA2 0.697 4.657 3.960 0.001 0.000 0.330 897 G HA3 0.697 4.657 3.960 0.001 0.000 0.330 897 G C -1.185 173.104 174.900 -1.018 0.000 1.142 897 G CA -0.373 44.363 45.100 -0.606 0.000 0.908 897 G HN 0.371 nan 8.290 nan 0.000 0.473 898 F N 0.578 120.350 119.950 -0.296 0.000 2.561 898 F HA 0.596 5.124 4.527 0.001 0.000 0.313 898 F C -0.254 175.470 175.800 -0.128 0.000 1.126 898 F CA -0.936 57.014 58.000 -0.085 0.000 0.918 898 F CB 2.872 41.915 39.000 0.071 0.000 1.199 898 F HN 0.324 nan 8.300 nan 0.000 0.444 899 V N 2.625 122.621 119.914 0.137 0.000 2.808 899 V HA 0.504 4.625 4.120 0.001 0.000 0.308 899 V C -1.412 174.700 176.094 0.030 0.000 1.099 899 V CA -0.730 61.559 62.300 -0.018 0.000 0.920 899 V CB 2.374 34.182 31.823 -0.025 0.000 1.014 899 V HN 0.722 nan 8.190 nan 0.000 0.425 900 N N 3.983 122.660 118.700 -0.039 0.000 2.577 900 N HA 0.398 5.139 4.740 0.001 0.000 0.275 900 N C 0.394 175.746 175.510 -0.262 0.000 1.091 900 N CA -0.516 52.472 53.050 -0.102 0.000 0.843 900 N CB 1.490 39.962 38.487 -0.026 0.000 1.295 900 N HN 0.583 nan 8.380 nan 0.000 0.530 901 L N 1.501 122.546 121.223 -0.296 0.000 2.456 901 L HA 0.016 4.356 4.340 0.001 0.000 0.224 901 L C 2.005 178.687 176.870 -0.314 0.000 1.148 901 L CA 0.902 55.558 54.840 -0.307 0.000 0.825 901 L CB -0.323 41.601 42.059 -0.224 0.000 0.937 901 L HN 0.527 nan 8.230 nan 0.000 0.450 902 A N 0.475 123.037 122.820 -0.430 0.000 2.015 902 A HA -0.072 4.249 4.320 0.001 0.000 0.219 902 A C 2.219 179.720 177.584 -0.138 0.000 1.163 902 A CA 1.108 52.824 52.037 -0.534 0.000 0.646 902 A CB -0.270 18.332 19.000 -0.663 0.000 0.806 902 A HN 0.399 nan 8.150 nan 0.000 0.448 903 L N -0.563 120.599 121.223 -0.102 0.000 2.127 903 L HA 0.107 4.448 4.340 0.001 0.000 0.203 903 L C -1.641 175.258 176.870 0.048 0.000 1.080 903 L CA 0.075 54.914 54.840 -0.001 0.000 0.768 903 L CB -1.203 40.865 42.059 0.015 0.000 0.924 903 L HN 0.210 nan 8.230 nan 0.000 0.444 904 P HA 0.230 nan 4.420 nan 0.000 0.287 904 P C -1.300 175.940 177.300 -0.099 0.000 1.270 904 P CA -0.143 62.889 63.100 -0.113 0.000 0.844 904 P CB 1.417 33.061 31.700 -0.094 0.000 1.068 905 F N 2.424 122.049 119.950 -0.542 0.000 2.569 905 F HA 0.672 5.200 4.527 0.001 0.000 0.312 905 F C -2.057 173.341 175.800 -0.670 0.000 1.109 905 F CA -0.986 56.800 58.000 -0.357 0.000 0.919 905 F CB 1.325 40.248 39.000 -0.128 0.000 1.211 905 F HN 0.102 nan 8.300 nan 0.000 0.446 906 F N 3.604 123.035 119.950 -0.865 0.000 2.556 906 F HA 0.806 5.333 4.527 0.001 0.000 0.314 906 F C 0.198 175.418 175.800 -0.968 0.000 1.106 906 F CA -1.064 56.500 58.000 -0.727 0.000 0.911 906 F CB 2.294 41.248 39.000 -0.077 0.000 1.190 906 F HN 0.744 nan 8.300 nan 0.000 0.448 907 G N 1.594 109.974 108.800 -0.701 0.000 2.718 907 G HA2 0.734 4.695 3.960 0.001 0.000 0.295 907 G HA3 0.734 4.695 3.960 0.001 0.000 0.295 907 G C -2.203 172.534 174.900 -0.271 0.000 1.421 907 G CA -0.688 44.293 45.100 -0.198 0.000 0.902 907 G HN 0.360 nan 8.290 nan 0.000 0.501 908 F N 0.451 120.603 119.950 0.336 0.000 2.588 908 F HA 0.769 5.297 4.527 0.001 0.000 0.314 908 F C 0.403 176.394 175.800 0.319 0.000 1.069 908 F CA -0.778 57.407 58.000 0.309 0.000 0.931 908 F CB 2.986 42.109 39.000 0.205 0.000 1.260 908 F HN 0.604 nan 8.300 nan 0.000 0.465 909 S N 0.712 116.719 115.700 0.513 0.000 2.541 909 S HA 0.409 4.880 4.470 0.001 0.000 0.280 909 S C -1.124 173.663 174.600 0.312 0.000 1.112 909 S CA -0.911 57.517 58.200 0.380 0.000 0.925 909 S CB 1.802 65.234 63.200 0.387 0.000 1.067 909 S HN 0.761 nan 8.310 nan 0.000 0.479 910 E N 2.552 122.894 120.200 0.236 0.000 2.373 910 E HA 0.312 4.663 4.350 0.001 0.000 0.267 910 E C -2.287 174.424 176.600 0.186 0.000 1.032 910 E CA -1.489 55.032 56.400 0.200 0.000 0.889 910 E CB 0.140 29.935 29.700 0.158 0.000 0.984 910 E HN 0.396 nan 8.360 nan 0.000 0.425 911 P HA 0.051 nan 4.420 nan 0.000 0.270 911 P C -0.538 176.830 177.300 0.114 0.000 1.223 911 P CA 0.122 63.304 63.100 0.138 0.000 0.785 911 P CB 0.419 32.172 31.700 0.088 0.000 0.923 912 I N 0.732 121.365 120.570 0.105 0.000 2.474 912 I HA 0.248 4.419 4.170 0.001 0.000 0.287 912 I C 0.898 177.064 176.117 0.082 0.000 1.048 912 I CA -0.446 60.906 61.300 0.087 0.000 1.383 912 I CB 0.673 38.718 38.000 0.076 0.000 1.412 912 I HN 0.328 nan 8.210 nan 0.000 0.531 913 A N 4.835 127.698 122.820 0.071 0.000 2.445 913 A HA 0.296 4.617 4.320 0.001 0.000 0.242 913 A C 0.542 178.178 177.584 0.085 0.000 1.075 913 A CA -0.391 51.688 52.037 0.070 0.000 0.777 913 A CB 0.053 19.084 19.000 0.053 0.000 1.013 913 A HN 0.820 nan 8.150 nan 0.000 0.493 914 S N 3.233 119.007 115.700 0.124 0.000 2.546 914 S HA 0.291 4.762 4.470 0.001 0.000 0.290 914 S C -2.223 172.421 174.600 0.074 0.000 1.290 914 S CA -0.866 57.425 58.200 0.152 0.000 1.069 914 S CB -0.100 63.277 63.200 0.295 0.000 0.846 914 S HN 0.599 nan 8.310 nan 0.000 0.495 915 P HA 0.166 nan 4.420 nan 0.000 0.266 915 P C -0.752 176.512 177.300 -0.061 0.000 1.195 915 P CA -0.146 62.948 63.100 -0.010 0.000 0.768 915 P CB 0.364 32.053 31.700 -0.018 0.000 0.838 916 K N 1.885 122.233 120.400 -0.087 0.000 2.182 916 K HA 0.627 4.948 4.320 0.001 0.000 0.262 916 K C 0.627 177.085 176.600 -0.237 0.000 0.957 916 K CA -0.465 55.723 56.287 -0.166 0.000 0.842 916 K CB 2.110 34.556 32.500 -0.090 0.000 1.099 916 K HN 0.612 nan 8.250 nan 0.000 0.438 917 G N 0.607 109.103 108.800 -0.507 0.000 2.820 917 G HA2 0.565 4.526 3.960 0.001 0.000 0.291 917 G HA3 0.565 4.526 3.960 0.001 0.000 0.291 917 G C -1.218 173.618 174.900 -0.107 0.000 1.323 917 G CA -0.341 44.522 45.100 -0.395 0.000 1.055 917 G HN 0.508 nan 8.290 nan 0.000 0.520 918 E N -1.406 118.925 120.200 0.219 0.000 2.321 918 E HA 0.532 4.882 4.350 0.001 0.000 0.281 918 E C -2.003 174.827 176.600 0.384 0.000 0.910 918 E CA -0.904 55.645 56.400 0.248 0.000 0.770 918 E CB 1.824 31.585 29.700 0.101 0.000 1.225 918 E HN 0.658 nan 8.360 nan 0.000 0.417 919 Y N 2.363 122.794 120.300 0.218 0.000 2.433 919 Y HA 0.512 5.063 4.550 0.001 0.000 0.337 919 Y C -0.403 175.557 175.900 0.099 0.000 1.026 919 Y CA -1.339 56.842 58.100 0.136 0.000 1.037 919 Y CB 1.140 39.665 38.460 0.108 0.000 1.245 919 Y HN 0.535 nan 8.280 nan 0.000 0.443 920 N N 3.450 122.217 118.700 0.112 0.000 2.727 920 N HA -0.318 4.423 4.740 0.001 0.000 0.249 920 N C -0.179 175.299 175.510 -0.053 0.000 1.048 920 N CA 1.384 54.456 53.050 0.037 0.000 0.714 920 N CB -1.091 37.449 38.487 0.087 0.000 0.959 920 N HN 1.013 nan 8.380 nan 0.000 0.544 921 N N -1.668 117.008 118.700 -0.040 0.000 2.714 921 N HA -0.237 4.504 4.740 0.001 0.000 0.250 921 N C -0.590 174.862 175.510 -0.097 0.000 1.117 921 N CA 1.134 54.156 53.050 -0.048 0.000 0.719 921 N CB -0.373 38.100 38.487 -0.023 0.000 1.081 921 N HN 0.524 nan 8.380 nan 0.000 0.557 922 K N 1.132 121.408 120.400 -0.206 0.000 2.450 922 K HA 0.312 4.633 4.320 0.001 0.000 0.257 922 K C -0.571 175.921 176.600 -0.180 0.000 0.953 922 K CA -0.439 55.690 56.287 -0.264 0.000 0.844 922 K CB 1.235 33.428 32.500 -0.512 0.000 1.103 922 K HN -0.006 nan 8.250 nan 0.000 0.429 923 K N 2.636 123.011 120.400 -0.041 0.000 2.218 923 K HA 0.225 4.546 4.320 0.001 0.000 0.276 923 K C -1.026 175.669 176.600 0.157 0.000 1.022 923 K CA -0.274 56.042 56.287 0.048 0.000 0.946 923 K CB 0.613 33.120 32.500 0.011 0.000 1.000 923 K HN 0.456 nan 8.250 nan 0.000 0.468 924 Y N -1.269 119.049 120.300 0.030 0.000 2.581 924 Y HA 0.289 4.839 4.550 0.002 0.000 0.337 924 Y C -1.294 174.650 175.900 0.074 0.000 1.108 924 Y CA -1.405 56.728 58.100 0.055 0.000 1.033 924 Y CB 1.249 39.771 38.460 0.104 0.000 1.318 924 Y HN 0.427 nan 8.280 nan 0.000 0.459 925 D N 3.181 123.624 120.400 0.071 0.000 2.325 925 D HA 0.129 4.770 4.640 0.001 0.000 0.251 925 D C 0.285 176.628 176.300 0.072 0.000 1.196 925 D CA 0.068 54.095 54.000 0.045 0.000 0.866 925 D CB 1.342 42.263 40.800 0.201 0.000 1.101 925 D HN 0.828 nan 8.370 nan 0.000 0.476 926 K N 2.903 123.239 120.400 -0.106 0.000 2.280 926 K HA -0.059 4.262 4.320 0.001 0.000 0.202 926 K C 1.645 178.312 176.600 0.112 0.000 1.047 926 K CA 0.787 57.085 56.287 0.019 0.000 0.942 926 K CB 0.497 32.958 32.500 -0.065 0.000 0.739 926 K HN 0.535 nan 8.250 nan 0.000 0.457 927 I N -1.679 118.919 120.570 0.047 0.000 2.512 927 I HA -0.126 4.045 4.170 0.001 0.000 0.247 927 I C 1.309 177.373 176.117 -0.087 0.000 1.094 927 I CA 0.790 62.008 61.300 -0.136 0.000 1.427 927 I CB 0.076 37.836 38.000 -0.400 0.000 1.149 927 I HN 0.187 nan 8.210 nan 0.000 0.438 928 W N 0.468 121.857 121.300 0.150 0.000 3.114 928 W HA 0.132 4.793 4.660 0.001 0.000 0.279 928 W C 0.104 176.677 176.519 0.090 0.000 1.277 928 W CA -0.455 56.972 57.345 0.137 0.000 1.630 928 W CB 0.071 29.577 29.460 0.077 0.000 1.087 928 W HN -0.120 nan 8.180 nan 0.000 0.637 929 D N 1.449 122.002 120.400 0.255 0.000 2.210 929 D HA 0.336 4.977 4.640 0.001 0.000 0.249 929 D C 0.375 176.518 176.300 -0.262 0.000 1.062 929 D CA -0.187 53.845 54.000 0.054 0.000 0.891 929 D CB 0.821 41.707 40.800 0.143 0.000 1.186 929 D HN 0.035 nan 8.370 nan 0.000 0.432 930 R N 0.533 120.759 120.500 -0.457 0.000 2.707 930 R HA 0.465 4.806 4.340 0.001 0.000 0.272 930 R C -1.372 174.635 176.300 -0.489 0.000 1.011 930 R CA -0.813 54.829 56.100 -0.763 0.000 0.893 930 R CB 0.550 30.272 30.300 -0.964 0.000 1.233 930 R HN 0.138 nan 8.270 nan 0.000 0.464 931 F N 1.231 121.101 119.950 -0.133 0.000 2.411 931 F HA 0.303 4.831 4.527 0.002 0.000 0.350 931 F C 0.390 176.222 175.800 0.054 0.000 1.114 931 F CA -0.252 57.771 58.000 0.039 0.000 1.135 931 F CB 1.279 40.410 39.000 0.218 0.000 1.120 931 F HN 0.265 nan 8.300 nan 0.000 0.495 932 D N 4.612 125.148 120.400 0.228 0.000 2.168 932 D HA 0.513 5.154 4.640 0.001 0.000 0.246 932 D C -0.411 175.975 176.300 0.145 0.000 1.050 932 D CA -0.062 54.057 54.000 0.200 0.000 0.857 932 D CB 2.305 43.173 40.800 0.114 0.000 1.169 932 D HN 0.363 nan 8.370 nan 0.000 0.453 933 I N 2.252 122.931 120.570 0.182 0.000 2.512 933 I HA 0.141 4.312 4.170 0.001 0.000 0.287 933 I C 0.047 176.214 176.117 0.083 0.000 1.069 933 I CA -0.697 60.633 61.300 0.049 0.000 1.056 933 I CB 1.964 39.974 38.000 0.017 0.000 1.229 933 I HN -0.082 nan 8.210 nan 0.000 0.429 934 K N 4.550 124.940 120.400 -0.016 0.000 2.276 934 K HA 0.603 4.924 4.320 0.001 0.000 0.283 934 K C 0.404 177.008 176.600 0.007 0.000 1.044 934 K CA -0.014 56.274 56.287 0.002 0.000 0.944 934 K CB 1.417 33.887 32.500 -0.049 0.000 1.012 934 K HN 0.896 nan 8.250 nan 0.000 0.472 935 G N 2.331 111.159 108.800 0.047 0.000 2.829 935 G HA2 -0.237 3.724 3.960 0.001 0.000 0.628 935 G HA3 -0.237 3.724 3.960 0.001 0.000 0.628 935 G C -0.252 174.664 174.900 0.027 0.000 1.412 935 G CA -0.148 44.969 45.100 0.029 0.000 0.864 935 G HN 0.848 nan 8.290 nan 0.000 0.544 936 D N 0.177 120.585 120.400 0.014 0.000 2.881 936 D HA 0.194 4.835 4.640 0.001 0.000 0.240 936 D C 1.211 177.506 176.300 -0.008 0.000 1.249 936 D CA -0.418 53.585 54.000 0.006 0.000 0.839 936 D CB -0.396 40.405 40.800 0.001 0.000 1.042 936 D HN 0.755 nan 8.370 nan 0.000 0.475 937 I N 1.077 121.637 120.570 -0.015 0.000 3.372 937 I HA -0.320 3.850 4.170 0.001 0.000 0.358 937 I C 0.815 176.918 176.117 -0.024 0.000 1.101 937 I CA 1.027 62.310 61.300 -0.030 0.000 1.669 937 I CB 0.432 38.402 38.000 -0.050 0.000 1.191 937 I HN 0.063 nan 8.210 nan 0.000 0.455 938 K N 6.189 126.573 120.400 -0.027 0.000 2.319 938 K HA -0.011 4.310 4.320 0.001 0.000 0.265 938 K C 0.815 177.396 176.600 -0.031 0.000 1.000 938 K CA -0.594 55.678 56.287 -0.025 0.000 0.943 938 K CB 0.564 33.050 32.500 -0.024 0.000 0.950 938 K HN 0.470 nan 8.250 nan 0.000 0.485 939 L N 2.754 123.955 121.223 -0.037 0.000 2.083 939 L HA -0.213 4.128 4.340 0.001 0.000 0.209 939 L C 2.257 179.064 176.870 -0.105 0.000 1.083 939 L CA 2.071 56.869 54.840 -0.071 0.000 0.752 939 L CB -0.713 41.305 42.059 -0.068 0.000 0.899 939 L HN 0.828 nan 8.230 nan 0.000 0.433 940 S N -1.670 113.986 115.700 -0.073 0.000 2.402 940 S HA -0.153 4.318 4.470 0.001 0.000 0.229 940 S C 1.666 176.239 174.600 -0.046 0.000 1.021 940 S CA 1.089 59.249 58.200 -0.067 0.000 0.974 940 S CB -0.650 62.528 63.200 -0.036 0.000 0.800 940 S HN 0.506 nan 8.310 nan 0.000 0.484 941 D N 1.430 121.809 120.400 -0.035 0.000 2.117 941 D HA 0.041 4.682 4.640 0.001 0.000 0.198 941 D C 1.831 178.126 176.300 -0.008 0.000 0.982 941 D CA 0.733 54.717 54.000 -0.026 0.000 0.828 941 D CB -0.558 40.219 40.800 -0.039 0.000 0.967 941 D HN 0.321 nan 8.370 nan 0.000 0.464 942 L N 0.736 121.956 121.223 -0.004 0.000 1.971 942 L HA -0.191 4.150 4.340 0.001 0.000 0.215 942 L C 2.104 179.069 176.870 0.158 0.000 1.072 942 L CA 1.570 56.453 54.840 0.072 0.000 0.758 942 L CB -0.474 41.632 42.059 0.079 0.000 0.889 942 L HN 0.035 nan 8.230 nan 0.000 0.433 943 I N -0.743 119.851 120.570 0.040 0.000 2.163 943 I HA -0.331 3.840 4.170 0.001 0.000 0.243 943 I C 2.538 178.684 176.117 0.048 0.000 1.085 943 I CA 1.854 63.164 61.300 0.017 0.000 1.347 943 I CB -0.479 37.441 38.000 -0.133 0.000 1.044 943 I HN 0.435 nan 8.210 nan 0.000 0.408 944 E N 0.342 120.552 120.200 0.017 0.000 2.072 944 E HA -0.316 4.035 4.350 0.001 0.000 0.191 944 E C 2.225 178.823 176.600 -0.005 0.000 0.985 944 E CA 1.362 57.766 56.400 0.007 0.000 0.801 944 E CB -0.094 29.607 29.700 0.000 0.000 0.750 944 E HN 0.529 nan 8.360 nan 0.000 0.452 945 H N -0.577 118.418 119.070 -0.125 0.000 2.390 945 H HA -0.156 4.401 4.556 0.001 0.000 0.298 945 H C 1.410 176.551 175.328 -0.311 0.000 1.106 945 H CA 2.081 57.982 56.048 -0.245 0.000 1.297 945 H CB -0.364 29.176 29.762 -0.370 0.000 1.375 945 H HN 0.222 nan 8.280 nan 0.000 0.509 946 F N 0.084 119.889 119.950 -0.241 0.000 2.661 946 F HA 0.046 4.574 4.527 0.001 0.000 0.298 946 F C 2.188 177.854 175.800 -0.223 0.000 1.137 946 F CA 0.712 58.515 58.000 -0.328 0.000 1.454 946 F CB 0.277 39.098 39.000 -0.298 0.000 1.103 946 F HN 0.319 nan 8.300 nan 0.000 0.577 947 E N -0.296 119.895 120.200 -0.015 0.000 2.162 947 E HA -0.073 4.277 4.350 0.001 0.000 0.193 947 E C 1.908 178.485 176.600 -0.039 0.000 0.953 947 E CA 0.153 56.547 56.400 -0.011 0.000 0.849 947 E CB -0.017 29.684 29.700 0.002 0.000 0.810 947 E HN 0.025 nan 8.360 nan 0.000 0.470 948 K N 0.916 121.276 120.400 -0.068 0.000 2.487 948 K HA -0.078 4.242 4.320 0.001 0.000 0.192 948 K C 0.020 176.564 176.600 -0.093 0.000 1.027 948 K CA 0.786 57.038 56.287 -0.059 0.000 1.054 948 K CB 0.407 32.885 32.500 -0.036 0.000 0.824 948 K HN 0.056 nan 8.250 nan 0.000 0.510 949 D N -0.848 119.447 120.400 -0.174 0.000 2.399 949 D HA 0.019 4.660 4.640 0.001 0.000 0.269 949 D C 0.587 176.820 176.300 -0.112 0.000 1.105 949 D CA 0.173 54.056 54.000 -0.196 0.000 0.844 949 D CB 0.757 41.312 40.800 -0.408 0.000 1.372 949 D HN 0.080 nan 8.370 nan 0.000 0.517 950 E N -0.216 119.941 120.200 -0.072 0.000 2.702 950 E HA 0.285 4.636 4.350 0.001 0.000 0.225 950 E C 0.678 177.366 176.600 0.148 0.000 0.942 950 E CA 0.478 56.932 56.400 0.091 0.000 1.210 950 E CB 1.095 30.874 29.700 0.130 0.000 1.143 950 E HN 0.108 nan 8.360 nan 0.000 0.544 951 G N 1.538 110.380 108.800 0.070 0.000 2.273 951 G HA2 -0.271 3.690 3.960 0.001 0.000 0.280 951 G HA3 -0.271 3.690 3.960 0.001 0.000 0.280 951 G C -0.276 174.667 174.900 0.070 0.000 1.047 951 G CA 0.748 45.891 45.100 0.072 0.000 0.869 951 G HN 0.184 nan 8.290 nan 0.000 0.502 952 L N -0.584 120.663 121.223 0.040 0.000 2.381 952 L HA 0.567 4.908 4.340 0.001 0.000 0.274 952 L C 0.175 177.022 176.870 -0.038 0.000 0.988 952 L CA -0.796 54.026 54.840 -0.029 0.000 0.824 952 L CB 2.082 44.051 42.059 -0.150 0.000 1.263 952 L HN 0.170 nan 8.230 nan 0.000 0.410 953 E N 2.719 122.893 120.200 -0.043 0.000 2.216 953 E HA 0.445 4.796 4.350 0.001 0.000 0.279 953 E C -0.819 175.741 176.600 -0.067 0.000 0.997 953 E CA -0.662 55.719 56.400 -0.032 0.000 0.817 953 E CB 1.924 31.625 29.700 0.001 0.000 1.096 953 E HN 0.423 nan 8.360 nan 0.000 0.393 954 I N 3.565 124.101 120.570 -0.058 0.000 2.363 954 I HA -0.004 4.167 4.170 0.001 0.000 0.292 954 I C 1.214 177.387 176.117 0.093 0.000 1.075 954 I CA 0.147 61.419 61.300 -0.045 0.000 1.333 954 I CB 1.140 39.080 38.000 -0.101 0.000 1.415 954 I HN 0.649 nan 8.210 nan 0.000 0.502 955 T N 5.686 120.248 114.554 0.013 0.000 2.857 955 T HA 0.047 4.398 4.350 0.001 0.000 0.266 955 T C 0.494 175.159 174.700 -0.058 0.000 1.048 955 T CA 1.016 63.110 62.100 -0.011 0.000 1.139 955 T CB 0.047 68.901 68.868 -0.022 0.000 0.874 955 T HN 0.522 nan 8.240 nan 0.000 0.455 956 M N 0.457 120.049 119.600 -0.012 0.000 2.365 956 M HA 0.563 5.044 4.480 0.001 0.000 0.288 956 M C -2.514 173.807 176.300 0.036 0.000 1.152 956 M CA -0.880 54.398 55.300 -0.037 0.000 0.948 956 M CB 2.339 34.914 32.600 -0.042 0.000 1.729 956 M HN 0.080 nan 8.290 nan 0.000 0.487 957 L N 4.017 125.289 121.223 0.082 0.000 2.438 957 L HA 0.885 5.226 4.340 0.001 0.000 0.270 957 L C -1.558 175.377 176.870 0.108 0.000 0.972 957 L CA 0.186 55.085 54.840 0.098 0.000 0.831 957 L CB 2.326 44.464 42.059 0.132 0.000 1.273 957 L HN 0.779 nan 8.230 nan 0.000 0.405 958 S N 3.128 118.891 115.700 0.105 0.000 2.546 958 S HA 0.577 5.048 4.470 0.001 0.000 0.274 958 S C -1.413 173.287 174.600 0.167 0.000 1.121 958 S CA -0.649 57.623 58.200 0.120 0.000 0.887 958 S CB 1.468 64.710 63.200 0.071 0.000 1.094 958 S HN 0.588 nan 8.310 nan 0.000 0.474 959 Y N 2.090 122.409 120.300 0.032 0.000 2.338 959 Y HA 0.569 5.120 4.550 0.002 0.000 0.328 959 Y C 0.769 176.671 175.900 0.003 0.000 0.965 959 Y CA 0.595 58.705 58.100 0.015 0.000 1.208 959 Y CB 0.541 39.014 38.460 0.020 0.000 1.132 959 Y HN 1.424 nan 8.280 nan 0.000 0.469 960 G N 3.301 111.890 108.800 -0.353 0.000 2.622 960 G HA2 -0.351 3.610 3.960 0.001 0.000 0.307 960 G HA3 -0.351 3.610 3.960 0.001 0.000 0.307 960 G C 0.349 175.173 174.900 -0.128 0.000 1.226 960 G CA 0.339 45.254 45.100 -0.307 0.000 0.997 960 G HN 0.926 nan 8.290 nan 0.000 0.551 961 V N 1.689 121.547 119.914 -0.094 0.000 3.633 961 V HA 0.356 4.477 4.120 0.001 0.000 0.283 961 V C 0.950 177.053 176.094 0.014 0.000 1.305 961 V CA 1.406 63.687 62.300 -0.031 0.000 1.153 961 V CB 0.090 31.896 31.823 -0.028 0.000 0.950 961 V HN 0.596 nan 8.190 nan 0.000 0.432 962 S N 1.027 116.748 115.700 0.036 0.000 2.462 962 S HA 0.552 5.023 4.470 0.001 0.000 0.294 962 S C -0.531 174.138 174.600 0.115 0.000 1.144 962 S CA -0.333 57.920 58.200 0.089 0.000 1.088 962 S CB 1.883 65.160 63.200 0.128 0.000 1.009 962 S HN 0.244 nan 8.310 nan 0.000 0.484 963 L N 4.874 126.171 121.223 0.124 0.000 2.281 963 L HA 0.405 4.746 4.340 0.001 0.000 0.285 963 L C 0.239 177.224 176.870 0.191 0.000 1.074 963 L CA 0.257 55.185 54.840 0.147 0.000 0.817 963 L CB 0.058 42.220 42.059 0.172 0.000 1.168 963 L HN 0.766 nan 8.230 nan 0.000 0.434 964 L N 5.042 126.381 121.223 0.192 0.000 2.362 964 L HA 0.239 4.580 4.340 0.001 0.000 0.204 964 L C -0.461 176.621 176.870 0.353 0.000 1.060 964 L CA -0.008 54.965 54.840 0.222 0.000 0.827 964 L CB -0.005 42.159 42.059 0.176 0.000 1.027 964 L HN 0.593 nan 8.230 nan 0.000 0.474 965 Y N 0.223 120.595 120.300 0.120 0.000 2.504 965 Y HA 0.688 5.239 4.550 0.001 0.000 0.344 965 Y C -1.362 174.286 175.900 -0.420 0.000 1.023 965 Y CA -1.055 57.059 58.100 0.023 0.000 1.020 965 Y CB 1.680 40.141 38.460 0.003 0.000 1.282 965 Y HN -0.091 nan 8.280 nan 0.000 0.454 966 A N 2.446 124.063 122.820 -2.006 0.000 2.517 966 A HA 0.462 4.782 4.320 0.001 0.000 0.297 966 A C 0.269 176.840 177.584 -1.688 0.000 1.050 966 A CA -0.193 50.768 52.037 -1.793 0.000 0.694 966 A CB 0.822 18.704 19.000 -1.863 0.000 1.277 966 A HN 1.185 nan 8.150 nan 0.000 0.400 967 S N 0.714 115.892 115.700 -0.870 0.000 2.493 967 S HA -0.169 4.301 4.470 0.001 0.000 0.243 967 S C 1.165 175.601 174.600 -0.274 0.000 0.991 967 S CA 1.896 59.850 58.200 -0.410 0.000 0.957 967 S CB -0.823 62.319 63.200 -0.095 0.000 0.756 967 S HN 1.549 nan 8.310 nan 0.000 0.521 968 F N -0.047 119.712 119.950 -0.319 0.000 2.797 968 F HA 0.497 5.025 4.527 0.001 0.000 0.302 968 F C 0.404 176.193 175.800 -0.018 0.000 1.130 968 F CA -1.950 55.959 58.000 -0.150 0.000 1.387 968 F CB -0.866 38.054 39.000 -0.134 0.000 1.107 968 F HN 0.029 nan 8.300 nan 0.000 0.577 969 F N 4.012 123.593 119.950 -0.615 0.000 2.563 969 F HA 0.166 4.693 4.527 0.001 0.000 0.363 969 F C -1.214 174.504 175.800 -0.136 0.000 1.123 969 F CA -2.307 55.448 58.000 -0.409 0.000 1.307 969 F CB 0.122 38.834 39.000 -0.480 0.000 1.115 969 F HN -0.085 nan 8.300 nan 0.000 0.592 970 P HA 0.004 nan 4.420 nan 0.000 0.271 970 P C -2.204 175.123 177.300 0.044 0.000 1.233 970 P CA -1.133 62.008 63.100 0.068 0.000 0.789 970 P CB 0.009 31.729 31.700 0.034 0.000 0.951 971 P HA -0.091 nan 4.420 nan 0.000 0.230 971 P C 1.349 178.658 177.300 0.015 0.000 1.158 971 P CA 1.164 64.284 63.100 0.034 0.000 0.769 971 P CB 0.260 31.978 31.700 0.031 0.000 0.807 972 K N 1.398 121.796 120.400 -0.003 0.000 1.973 972 K HA -0.093 4.228 4.320 0.001 0.000 0.210 972 K C 2.228 178.803 176.600 -0.041 0.000 1.045 972 K CA 1.633 57.907 56.287 -0.022 0.000 0.937 972 K CB -0.406 32.075 32.500 -0.032 0.000 0.721 972 K HN -0.134 nan 8.250 nan 0.000 0.438 973 K N 0.236 120.585 120.400 -0.086 0.000 2.211 973 K HA -0.045 4.276 4.320 0.001 0.000 0.203 973 K C 2.056 178.626 176.600 -0.049 0.000 1.050 973 K CA 0.847 57.046 56.287 -0.146 0.000 0.945 973 K CB -0.061 32.208 32.500 -0.384 0.000 0.732 973 K HN 0.157 nan 8.250 nan 0.000 0.451 974 L N 0.874 122.111 121.223 0.022 0.000 1.961 974 L HA -0.229 4.112 4.340 0.001 0.000 0.210 974 L C 2.139 179.060 176.870 0.086 0.000 1.072 974 L CA 1.644 56.551 54.840 0.112 0.000 0.749 974 L CB -0.298 41.834 42.059 0.121 0.000 0.889 974 L HN 0.127 nan 8.230 nan 0.000 0.432 975 K N -0.567 119.862 120.400 0.048 0.000 2.439 975 K HA -0.169 4.152 4.320 0.001 0.000 0.197 975 K C 1.847 178.458 176.600 0.019 0.000 1.041 975 K CA 0.522 56.829 56.287 0.033 0.000 0.970 975 K CB 0.088 32.603 32.500 0.024 0.000 0.773 975 K HN 0.308 nan 8.250 nan 0.000 0.479 976 E N 0.880 121.086 120.200 0.010 0.000 2.158 976 E HA -0.116 4.235 4.350 0.001 0.000 0.191 976 E C 1.592 178.197 176.600 0.008 0.000 0.982 976 E CA 0.737 57.136 56.400 -0.001 0.000 0.823 976 E CB 0.343 30.030 29.700 -0.020 0.000 0.766 976 E HN 0.205 nan 8.360 nan 0.000 0.468 977 R N -0.423 120.094 120.500 0.029 0.000 2.195 977 R HA 0.181 4.522 4.340 0.001 0.000 0.197 977 R C 2.462 178.793 176.300 0.052 0.000 0.990 977 R CA -0.045 56.085 56.100 0.050 0.000 1.048 977 R CB 0.092 30.448 30.300 0.093 0.000 0.997 977 R HN 0.142 nan 8.270 nan 0.000 0.502 978 L N 1.276 122.533 121.223 0.058 0.000 2.127 978 L HA -0.205 4.136 4.340 0.001 0.000 0.211 978 L C 2.134 179.004 176.870 -0.001 0.000 1.089 978 L CA 1.355 56.209 54.840 0.023 0.000 0.757 978 L CB -0.349 41.730 42.059 0.033 0.000 0.899 978 L HN 0.335 nan 8.230 nan 0.000 0.434 979 N N -0.287 118.416 118.700 0.006 0.000 2.463 979 N HA 0.017 4.758 4.740 0.001 0.000 0.181 979 N C 0.481 175.987 175.510 -0.005 0.000 1.078 979 N CA -0.167 52.882 53.050 -0.002 0.000 0.902 979 N CB 0.333 38.820 38.487 0.001 0.000 0.970 979 N HN 0.201 nan 8.380 nan 0.000 0.451 980 L N 2.220 123.442 121.223 -0.002 0.000 2.371 980 L HA 0.344 4.685 4.340 0.001 0.000 0.272 980 L C -2.218 174.645 176.870 -0.011 0.000 1.124 980 L CA -1.861 52.976 54.840 -0.006 0.000 0.816 980 L CB 0.938 42.996 42.059 -0.002 0.000 1.129 980 L HN -0.070 nan 8.230 nan 0.000 0.448 981 P HA 0.060 nan 4.420 nan 0.000 0.271 981 P C 0.842 178.127 177.300 -0.025 0.000 1.218 981 P CA -0.450 62.639 63.100 -0.019 0.000 0.780 981 P CB 0.600 32.289 31.700 -0.017 0.000 0.901 982 I N 1.059 121.611 120.570 -0.029 0.000 2.194 982 I HA -0.243 3.928 4.170 0.001 0.000 0.246 982 I C 1.930 177.996 176.117 -0.084 0.000 1.093 982 I CA 1.935 63.206 61.300 -0.048 0.000 1.355 982 I CB -2.159 35.814 38.000 -0.044 0.000 1.046 982 I HN 0.354 nan 8.210 nan 0.000 0.413 983 T N 0.764 115.273 114.554 -0.075 0.000 2.597 983 T HA -0.290 4.061 4.350 0.001 0.000 0.267 983 T C 1.926 176.583 174.700 -0.070 0.000 1.053 983 T CA 1.847 63.897 62.100 -0.083 0.000 1.165 983 T CB -0.371 68.467 68.868 -0.050 0.000 0.863 983 T HN 0.428 nan 8.240 nan 0.000 0.427 984 Q N -0.076 119.697 119.800 -0.044 0.000 2.119 984 Q HA 0.018 4.359 4.340 0.001 0.000 0.201 984 Q C 2.340 178.323 176.000 -0.028 0.000 0.972 984 Q CA 0.774 56.558 55.803 -0.031 0.000 0.847 984 Q CB -0.305 28.421 28.738 -0.020 0.000 0.903 984 Q HN 0.273 nan 8.270 nan 0.000 0.433 985 L N 0.010 121.216 121.223 -0.027 0.000 2.079 985 L HA -0.161 4.180 4.340 0.001 0.000 0.210 985 L C 1.952 178.813 176.870 -0.014 0.000 1.081 985 L CA 1.461 56.295 54.840 -0.010 0.000 0.752 985 L CB -0.277 41.784 42.059 0.003 0.000 0.896 985 L HN 0.023 nan 8.230 nan 0.000 0.433 986 V N -0.935 118.944 119.914 -0.059 0.000 2.719 986 V HA -0.191 3.930 4.120 0.001 0.000 0.252 986 V C 2.424 178.502 176.094 -0.026 0.000 1.065 986 V CA 1.310 63.569 62.300 -0.069 0.000 1.086 986 V CB -0.564 31.114 31.823 -0.242 0.000 0.700 986 V HN 0.432 nan 8.190 nan 0.000 0.467 987 K N -0.232 120.148 120.400 -0.032 0.000 2.097 987 K HA -0.168 4.153 4.320 0.001 0.000 0.206 987 K C 2.061 178.659 176.600 -0.004 0.000 1.049 987 K CA 1.276 57.554 56.287 -0.016 0.000 0.933 987 K CB -0.244 32.244 32.500 -0.020 0.000 0.717 987 K HN 0.265 nan 8.250 nan 0.000 0.442 988 L N 0.731 121.952 121.223 -0.004 0.000 2.034 988 L HA -0.103 4.238 4.340 0.001 0.000 0.203 988 L C 2.064 178.937 176.870 0.005 0.000 1.074 988 L CA 1.389 56.227 54.840 -0.003 0.000 0.748 988 L CB -0.382 41.672 42.059 -0.008 0.000 0.905 988 L HN -0.145 nan 8.230 nan 0.000 0.439 989 V N -0.717 119.208 119.914 0.018 0.000 2.407 989 V HA -0.193 3.928 4.120 0.001 0.000 0.248 989 V C 0.839 176.957 176.094 0.041 0.000 1.055 989 V CA 1.662 63.983 62.300 0.034 0.000 1.049 989 V CB -1.090 30.771 31.823 0.065 0.000 0.662 989 V HN 0.496 nan 8.190 nan 0.000 0.455 990 T N 0.857 115.440 114.554 0.047 0.000 2.723 990 T HA 0.156 4.507 4.350 0.001 0.000 0.297 990 T C 1.112 175.829 174.700 0.029 0.000 0.925 990 T CA -0.349 61.780 62.100 0.049 0.000 1.030 990 T CB 1.068 69.977 68.868 0.068 0.000 0.905 990 T HN 0.297 nan 8.240 nan 0.000 0.502 991 K N 2.284 122.698 120.400 0.024 0.000 2.163 991 K HA -0.179 4.142 4.320 0.001 0.000 0.210 991 K C 0.292 176.899 176.600 0.013 0.000 1.048 991 K CA 1.476 57.772 56.287 0.015 0.000 0.928 991 K CB 0.015 32.523 32.500 0.014 0.000 0.716 991 K HN 0.531 nan 8.250 nan 0.000 0.459 992 K N 0.802 121.212 120.400 0.017 0.000 2.668 992 K HA 0.212 4.532 4.320 0.001 0.000 0.246 992 K C -1.571 175.040 176.600 0.019 0.000 0.976 992 K CA -0.480 55.815 56.287 0.013 0.000 0.902 992 K CB 1.879 34.385 32.500 0.011 0.000 1.172 992 K HN -0.137 nan 8.250 nan 0.000 0.452 993 D N 3.117 123.526 120.400 0.015 0.000 2.990 993 D HA 0.461 5.102 4.640 0.001 0.000 0.227 993 D C -1.321 174.977 176.300 -0.004 0.000 1.249 993 D CA -0.510 53.499 54.000 0.016 0.000 0.891 993 D CB 1.461 42.286 40.800 0.041 0.000 1.647 993 D HN 0.531 nan 8.370 nan 0.000 0.530 994 I N 1.337 121.900 120.570 -0.011 0.000 2.563 994 I HA 0.335 4.506 4.170 0.001 0.000 0.281 994 I C -1.794 174.296 176.117 -0.044 0.000 1.110 994 I CA -1.626 59.658 61.300 -0.027 0.000 1.073 994 I CB 1.616 39.602 38.000 -0.022 0.000 1.215 994 I HN 0.056 nan 8.210 nan 0.000 0.460 995 P HA -0.330 nan 4.420 nan 0.000 0.219 995 P C 1.227 178.424 177.300 -0.172 0.000 1.159 995 P CA 3.239 66.290 63.100 -0.082 0.000 0.944 995 P CB 0.244 31.912 31.700 -0.054 0.000 0.792 996 A N -2.620 120.133 122.820 -0.113 0.000 1.760 996 A HA -0.257 4.064 4.320 0.001 0.000 0.219 996 A C 1.536 179.107 177.584 -0.021 0.000 0.582 996 A CA 1.547 53.525 52.037 -0.099 0.000 1.165 996 A CB -2.469 16.449 19.000 -0.136 0.000 1.428 996 A HN 0.665 nan 8.150 nan 0.000 0.712 997 H N -1.533 117.567 119.070 0.050 0.000 3.398 997 H HA 0.586 5.143 4.556 0.002 0.000 0.260 997 H C 0.022 175.399 175.328 0.081 0.000 1.189 997 H CA 0.333 56.416 56.048 0.060 0.000 1.145 997 H CB -0.054 29.742 29.762 0.056 0.000 1.599 997 H HN 0.420 nan 8.280 nan 0.000 0.615 998 V N 3.152 123.223 119.914 0.261 0.000 2.555 998 V HA -0.008 4.113 4.120 0.001 0.000 0.286 998 V C 1.106 177.306 176.094 0.177 0.000 1.044 998 V CA 0.762 63.218 62.300 0.259 0.000 1.026 998 V CB 1.491 33.396 31.823 0.136 0.000 0.981 998 V HN 0.603 nan 8.190 nan 0.000 0.480 999 S N 1.707 117.522 115.700 0.190 0.000 2.559 999 S HA 0.207 4.678 4.470 0.001 0.000 0.226 999 S C 0.527 175.205 174.600 0.129 0.000 1.000 999 S CA -0.292 58.002 58.200 0.158 0.000 0.948 999 S CB 0.471 63.779 63.200 0.182 0.000 0.870 999 S HN 0.665 nan 8.310 nan 0.000 0.497 1000 T N 2.427 117.055 114.554 0.124 0.000 2.912 1000 T HA 0.630 4.981 4.350 0.001 0.000 0.299 1000 T C -1.104 173.626 174.700 0.049 0.000 1.052 1000 T CA -0.400 61.743 62.100 0.072 0.000 0.996 1000 T CB 1.757 70.731 68.868 0.176 0.000 1.070 1000 T HN 0.151 nan 8.240 nan 0.000 0.465 1001 M N 2.951 122.578 119.600 0.044 0.000 2.263 1001 M HA 0.515 4.996 4.480 0.001 0.000 0.295 1001 M C -1.013 175.364 176.300 0.128 0.000 1.028 1001 M CA -0.652 54.702 55.300 0.090 0.000 0.921 1001 M CB 2.147 34.765 32.600 0.031 0.000 1.601 1001 M HN 0.440 nan 8.290 nan 0.000 0.440 1002 I N 4.323 124.960 120.570 0.112 0.000 2.371 1002 I HA 0.372 4.542 4.170 0.001 0.000 0.290 1002 I C -0.770 175.486 176.117 0.231 0.000 1.028 1002 I CA -0.292 61.094 61.300 0.143 0.000 1.345 1002 I CB 0.700 38.637 38.000 -0.105 0.000 1.407 1002 I HN 0.504 nan 8.210 nan 0.000 0.501 1003 L N 6.511 127.892 121.223 0.262 0.000 2.365 1003 L HA 0.500 4.840 4.340 0.001 0.000 0.273 1003 L C -0.379 176.615 176.870 0.206 0.000 1.000 1003 L CA -0.696 54.279 54.840 0.226 0.000 0.819 1003 L CB 2.106 44.285 42.059 0.200 0.000 1.284 1003 L HN 0.562 nan 8.230 nan 0.000 0.418 1004 E N 2.298 122.578 120.200 0.133 0.000 2.248 1004 E HA 0.649 4.999 4.350 0.001 0.000 0.272 1004 E C -1.123 175.514 176.600 0.061 0.000 1.008 1004 E CA -0.495 55.968 56.400 0.105 0.000 0.856 1004 E CB 2.672 32.403 29.700 0.051 0.000 1.120 1004 E HN 0.367 nan 8.360 nan 0.000 0.397 1005 I N 1.423 122.009 120.570 0.027 0.000 2.722 1005 I HA 0.302 4.473 4.170 0.001 0.000 0.295 1005 I C -1.239 174.842 176.117 -0.060 0.000 1.161 1005 I CA -0.707 60.562 61.300 -0.052 0.000 1.032 1005 I CB 1.720 39.616 38.000 -0.173 0.000 1.244 1005 I HN 0.571 nan 8.210 nan 0.000 0.421 1006 C N 5.316 124.576 119.300 -0.068 0.000 2.379 1006 C HA 0.922 5.383 4.460 0.001 0.000 0.323 1006 C C 0.194 175.124 174.990 -0.099 0.000 1.262 1006 C CA -0.334 58.646 59.018 -0.065 0.000 1.581 1006 C CB 0.645 28.365 27.740 -0.032 0.000 2.221 1006 C HN 0.778 nan 8.230 nan 0.000 0.497 1007 A N 2.581 125.335 122.820 -0.110 0.000 2.498 1007 A HA 0.768 5.089 4.320 0.001 0.000 0.298 1007 A C -1.540 176.003 177.584 -0.069 0.000 1.075 1007 A CA -0.414 51.547 52.037 -0.126 0.000 0.714 1007 A CB 1.061 19.922 19.000 -0.232 0.000 1.299 1007 A HN 0.752 nan 8.150 nan 0.000 0.407 1008 D N 1.107 121.480 120.400 -0.045 0.000 2.163 1008 D HA 0.469 5.110 4.640 0.001 0.000 0.248 1008 D C -0.188 176.112 176.300 -0.000 0.000 1.035 1008 D CA 0.107 54.100 54.000 -0.011 0.000 0.872 1008 D CB 1.494 42.295 40.800 0.002 0.000 1.183 1008 D HN 0.653 nan 8.370 nan 0.000 0.445 1009 D N -0.130 120.289 120.400 0.031 0.000 2.414 1009 D HA 0.081 4.721 4.640 0.001 0.000 0.259 1009 D C 0.872 177.206 176.300 0.057 0.000 1.269 1009 D CA -0.428 53.611 54.000 0.066 0.000 1.028 1009 D CB 0.763 41.627 40.800 0.107 0.000 1.093 1009 D HN 0.098 nan 8.370 nan 0.000 0.545 1010 K N -1.120 119.324 120.400 0.073 0.000 2.360 1010 K HA -0.113 4.208 4.320 0.001 0.000 0.201 1010 K C 0.991 177.616 176.600 0.042 0.000 1.046 1010 K CA 1.018 57.338 56.287 0.054 0.000 0.945 1010 K CB 0.090 32.625 32.500 0.057 0.000 0.750 1010 K HN 0.412 nan 8.250 nan 0.000 0.464 1011 E N -1.502 118.725 120.200 0.044 0.000 2.481 1011 E HA 0.053 4.404 4.350 0.001 0.000 0.198 1011 E C 0.815 177.434 176.600 0.031 0.000 1.027 1011 E CA 0.491 56.913 56.400 0.035 0.000 0.900 1011 E CB 1.086 30.808 29.700 0.037 0.000 0.993 1011 E HN 0.474 nan 8.360 nan 0.000 0.482 1012 G N 2.083 110.901 108.800 0.031 0.000 2.213 1012 G HA2 -0.261 3.700 3.960 0.001 0.000 0.236 1012 G HA3 -0.261 3.700 3.960 0.001 0.000 0.236 1012 G C 0.262 175.176 174.900 0.024 0.000 0.991 1012 G CA 0.186 45.300 45.100 0.025 0.000 0.629 1012 G HN 0.269 nan 8.290 nan 0.000 0.517 1013 E N 0.599 120.816 120.200 0.029 0.000 2.318 1013 E HA 0.513 4.864 4.350 0.001 0.000 0.265 1013 E C -0.180 176.437 176.600 0.029 0.000 1.069 1013 E CA -0.419 55.998 56.400 0.029 0.000 0.893 1013 E CB 0.690 30.411 29.700 0.034 0.000 1.076 1013 E HN 0.237 nan 8.360 nan 0.000 0.414 1014 D N 0.833 121.248 120.400 0.024 0.000 2.304 1014 D HA 0.290 4.931 4.640 0.001 0.000 0.250 1014 D C -1.275 175.044 176.300 0.032 0.000 1.107 1014 D CA -0.293 53.718 54.000 0.018 0.000 0.885 1014 D CB 0.693 41.501 40.800 0.012 0.000 1.192 1014 D HN 0.143 nan 8.370 nan 0.000 0.436 1015 V N 0.596 120.524 119.914 0.023 0.000 2.789 1015 V HA 0.496 4.617 4.120 0.001 0.000 0.311 1015 V C -0.215 175.896 176.094 0.028 0.000 1.073 1015 V CA -1.114 61.216 62.300 0.050 0.000 0.921 1015 V CB 1.757 33.631 31.823 0.084 0.000 1.009 1015 V HN 0.505 nan 8.190 nan 0.000 0.426 1016 E N 1.887 122.139 120.200 0.086 0.000 2.384 1016 E HA 0.530 4.881 4.350 0.001 0.000 0.266 1016 E C -0.962 175.681 176.600 0.072 0.000 1.012 1016 E CA -0.228 56.238 56.400 0.110 0.000 0.901 1016 E CB 1.945 31.757 29.700 0.188 0.000 0.967 1016 E HN 0.507 nan 8.360 nan 0.000 0.435 1017 V N 3.903 123.797 119.914 -0.034 0.000 2.932 1017 V HA 0.229 4.350 4.120 0.001 0.000 0.307 1017 V C -2.293 173.696 176.094 -0.176 0.000 1.147 1017 V CA -1.965 60.153 62.300 -0.304 0.000 0.951 1017 V CB 2.354 33.991 31.823 -0.310 0.000 1.031 1017 V HN 0.596 nan 8.190 nan 0.000 0.426 1018 P HA 0.092 nan 4.420 nan 0.000 0.269 1018 P C -0.485 176.836 177.300 0.035 0.000 1.205 1018 P CA 0.152 63.103 63.100 -0.249 0.000 0.780 1018 P CB 0.189 31.413 31.700 -0.794 0.000 0.858 1019 F N -0.126 119.853 119.950 0.047 0.000 2.373 1019 F HA 0.537 5.065 4.527 0.001 0.000 0.302 1019 F C 0.237 176.191 175.800 0.257 0.000 1.247 1019 F CA -0.887 57.188 58.000 0.124 0.000 1.169 1019 F CB -0.029 39.020 39.000 0.082 0.000 1.309 1019 F HN 0.032 nan 8.300 nan 0.000 0.537 1020 I N 0.455 121.268 120.570 0.406 0.000 2.441 1020 I HA 0.304 4.475 4.170 0.001 0.000 0.295 1020 I C -0.702 175.641 176.117 0.377 0.000 0.994 1020 I CA -0.695 60.822 61.300 0.360 0.000 1.144 1020 I CB 2.070 40.281 38.000 0.351 0.000 1.314 1020 I HN 0.618 nan 8.210 nan 0.000 0.445 1021 T N 6.588 121.323 114.554 0.302 0.000 2.772 1021 T HA 0.509 4.860 4.350 0.001 0.000 0.288 1021 T C -0.262 174.575 174.700 0.228 0.000 0.994 1021 T CA -0.291 61.987 62.100 0.296 0.000 0.951 1021 T CB 0.843 69.889 68.868 0.297 0.000 0.933 1021 T HN 0.175 nan 8.240 nan 0.000 0.447 1022 I N 4.196 124.859 120.570 0.154 0.000 2.304 1022 I HA 0.175 4.346 4.170 0.001 0.000 0.291 1022 I C 0.576 176.724 176.117 0.052 0.000 1.018 1022 I CA -0.352 61.026 61.300 0.129 0.000 1.260 1022 I CB 0.499 38.551 38.000 0.088 0.000 1.390 1022 I HN 0.554 nan 8.210 nan 0.000 0.475 1023 H N 7.176 126.308 119.070 0.103 0.000 2.604 1023 H HA 0.346 4.903 4.556 0.001 0.000 0.306 1023 H C 0.057 175.428 175.328 0.072 0.000 1.075 1023 H CA -0.526 55.584 56.048 0.103 0.000 1.357 1023 H CB 1.056 30.870 29.762 0.087 0.000 1.426 1023 H HN 0.414 nan 8.280 nan 0.000 0.470 1024 L N 0.000 121.309 121.223 0.144 0.000 2.949 1024 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1024 L CA 0.000 54.898 54.840 0.096 0.000 0.813 1024 L CB 0.000 42.103 42.059 0.073 0.000 0.961 1024 L HN 0.000 nan 8.230 nan 0.000 0.502