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 3h09_1_A DATA FIRST_RESID 26 DATA SEQUENCE ALVRDDVDYQ IFRDFAENKG RFSVGATNVE VRDKNNHSLG NVLPNGIPMI DATA SEQUENCE DFSVVDVDKR IATLINPQYV VGVKHVSNGV SELHFGNLNG NMNNGNAKSH DATA SEQUENCE RDVSSEENRY FSVEKNEYPT KLNGKAVTTE DQTQKRREDY YMPRLDKFVT DATA SEQUENCE EVAPIEASTA SSDAGTYNDQ NKYPAFVRLG SGSQFIYKKG DNYSLILNNH DATA SEQUENCE EVGGNNLKLV GDAYTYGIAG TPYKVNHENN GLIGFGNSKE EHSDPKGILS DATA SEQUENCE QDPLTNYAVL GDSGSPLFVY DREKGKWLFL GSYDFWAGYN KKSWQEWNIY DATA SEQUENCE KPEFAKTVLD KDTAGSLTGS NTQYNWNPTG KTSVISNGSE SLNVDLFDSS DATA SEQUENCE QDTDSKKNNH GKSVTLRGSG TLTLNNNIDQ GAGGLFFEGD YEVKGTSDST DATA SEQUENCE TWKGAGVSVA DGKTVTWKVH NPKSDRLAKI GKGTLIVEGK GENKGSLKVG DATA SEQUENCE DGTVILKQQA DANNKVKAFS QVGIVSGRST VVLNDDKQVD PNSIYFGFRG DATA SEQUENCE GRLDANGNNL TFEHIRNIDD GARLVNHNTS KTSTVTITGE SLITDPNTIT DATA SEQUENCE PYNIDAPDED NPYAFRRIKD GGQLYLNLEN YTYYALRKGA STRSELPKNS DATA SEQUENCE GESNENWLYM GKTSDEAKRN VMNHINNERM NGFNGYFGEE EGKNNGNLNV DATA SEQUENCE TFKGKSEQNR FLLTGGTNLN GDLKVEKGTL FLSGRPTPHA RDIAGISSTK DATA SEQUENCE KDQHFAENNE VVVEDDWINR NFKATNINVT NNATLYSGRN VANITSNITA DATA SEQUENCE SDNAKVHIGY KAGDTVCVRS DYTGYVTCTT DKLSDKALNS FNATNVSGNV DATA SEQUENCE NLSGNANFVL GKANLFGTIS GTGNSQVRLT ENSHWHLTGD SNVNQLNLDK DATA SEQUENCE GHIHLNAQND ANKVTTYNTL TVNSLSGNGS FYYLTDLSNK QGDKVVVTKS DATA SEQUENCE ATGNFTLQVA DKTGEPTKNE LTLFDASNAT RNNLNVSLVG NXXXLGAWKY DATA SEQUENCE KLRNVNGRYD LYNP 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.666 177.584 0.136 0.000 1.274 26 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 26 A CB 0.000 18.922 19.000 -0.131 0.000 0.831 27 L N 1.581 122.909 121.223 0.175 0.000 2.307 27 L HA 0.841 5.168 4.340 -0.021 0.000 0.284 27 L C -0.195 176.740 176.870 0.108 0.000 1.023 27 L CA -0.258 54.723 54.840 0.235 0.000 0.810 27 L CB 1.463 43.698 42.059 0.293 0.000 1.231 27 L HN 1.603 nan 8.230 nan 0.000 0.423 28 V N 2.857 122.785 119.914 0.023 0.000 3.141 28 V HA 0.713 4.820 4.120 -0.021 0.000 0.312 28 V C -0.148 175.951 176.094 0.010 0.000 1.157 28 V CA -1.122 61.085 62.300 -0.155 0.000 1.041 28 V CB 1.597 32.895 31.823 -0.875 0.000 1.071 28 V HN 1.028 nan 8.190 nan 0.000 0.441 29 R N 0.975 121.515 120.500 0.067 0.000 2.774 29 R HA 0.250 4.578 4.340 -0.021 0.000 0.269 29 R C -0.016 176.413 176.300 0.216 0.000 1.068 29 R CA 0.483 56.678 56.100 0.158 0.000 1.180 29 R CB 0.151 30.557 30.300 0.177 0.000 1.077 29 R HN 0.896 nan 8.270 nan 0.000 0.513 30 D N -0.247 120.303 120.400 0.249 0.000 2.369 30 D HA -0.086 4.542 4.640 -0.021 0.000 0.211 30 D C 0.269 176.693 176.300 0.206 0.000 1.077 30 D CA 0.070 54.208 54.000 0.230 0.000 0.842 30 D CB 0.002 40.944 40.800 0.236 0.000 0.947 30 D HN 0.714 nan 8.370 nan 0.000 0.509 31 D N 0.364 120.884 120.400 0.201 0.000 2.369 31 D HA 0.034 4.662 4.640 -0.021 0.000 0.211 31 D C 0.184 176.587 176.300 0.171 0.000 1.077 31 D CA -0.296 53.803 54.000 0.165 0.000 0.842 31 D CB 0.436 41.318 40.800 0.136 0.000 0.947 31 D HN 0.002 nan 8.370 nan 0.000 0.509 32 V N 1.296 121.346 119.914 0.228 0.000 2.495 32 V HA 0.139 4.247 4.120 -0.021 0.000 0.298 32 V C -0.193 176.066 176.094 0.274 0.000 1.031 32 V CA -1.106 61.323 62.300 0.215 0.000 0.871 32 V CB 1.815 33.758 31.823 0.199 0.000 0.988 32 V HN -0.017 nan 8.190 nan 0.000 0.432 33 D N 2.442 122.958 120.400 0.193 0.000 2.531 33 D HA -0.118 4.510 4.640 -0.021 0.000 0.239 33 D C 0.708 177.207 176.300 0.332 0.000 1.144 33 D CA 0.468 54.594 54.000 0.210 0.000 0.869 33 D CB 0.504 41.381 40.800 0.128 0.000 1.160 33 D HN 0.546 nan 8.370 nan 0.000 0.484 34 Y N 3.188 123.613 120.300 0.208 0.000 2.241 34 Y HA -0.259 4.278 4.550 -0.021 0.000 0.286 34 Y C 2.146 178.183 175.900 0.229 0.000 1.166 34 Y CA 1.858 60.112 58.100 0.257 0.000 1.203 34 Y CB -0.188 38.336 38.460 0.108 0.000 0.977 34 Y HN 0.523 nan 8.280 nan 0.000 0.529 35 Q N 0.454 120.384 119.800 0.217 0.000 2.152 35 Q HA -0.208 4.119 4.340 -0.021 0.000 0.206 35 Q C 2.029 178.111 176.000 0.136 0.000 0.985 35 Q CA 2.316 58.191 55.803 0.120 0.000 0.863 35 Q CB -0.555 28.228 28.738 0.074 0.000 0.904 35 Q HN 0.663 nan 8.270 nan 0.000 0.422 36 I N -0.892 119.759 120.570 0.136 0.000 2.252 36 I HA -0.230 3.928 4.170 -0.021 0.000 0.245 36 I C 1.561 177.698 176.117 0.034 0.000 1.102 36 I CA 0.919 62.301 61.300 0.138 0.000 1.385 36 I CB -0.300 37.712 38.000 0.019 0.000 1.064 36 I HN 0.155 nan 8.210 nan 0.000 0.414 37 F N 0.856 120.775 119.950 -0.051 0.000 2.171 37 F HA -0.146 4.369 4.527 -0.021 0.000 0.300 37 F C 2.659 178.396 175.800 -0.104 0.000 1.090 37 F CA 1.161 59.078 58.000 -0.139 0.000 1.293 37 F CB -0.426 38.408 39.000 -0.277 0.000 1.013 37 F HN -0.088 nan 8.300 nan 0.000 0.486 38 R N 0.355 120.868 120.500 0.022 0.000 2.075 38 R HA -0.119 4.209 4.340 -0.021 0.000 0.232 38 R C 1.708 178.064 176.300 0.094 0.000 1.126 38 R CA 1.460 57.555 56.100 -0.007 0.000 0.963 38 R CB -0.991 29.258 30.300 -0.084 0.000 0.858 38 R HN 0.253 nan 8.270 nan 0.000 0.435 39 D N 0.188 120.699 120.400 0.184 0.000 2.144 39 D HA -0.136 4.492 4.640 -0.021 0.000 0.200 39 D C 1.656 178.156 176.300 0.334 0.000 0.978 39 D CA 0.719 54.890 54.000 0.285 0.000 0.833 39 D CB -0.324 40.726 40.800 0.416 0.000 0.961 39 D HN 0.054 nan 8.370 nan 0.000 0.470 40 F N 1.718 121.683 119.950 0.025 0.000 2.095 40 F HA -0.173 4.341 4.527 -0.021 0.000 0.298 40 F C 2.237 178.046 175.800 0.015 0.000 1.104 40 F CA 1.476 59.295 58.000 -0.301 0.000 1.232 40 F CB -0.356 38.273 39.000 -0.619 0.000 0.987 40 F HN -0.056 nan 8.300 nan 0.000 0.475 41 A N -0.420 122.433 122.820 0.056 0.000 1.972 41 A HA -0.187 4.121 4.320 -0.021 0.000 0.219 41 A C 1.894 179.442 177.584 -0.059 0.000 1.169 41 A CA 1.887 53.831 52.037 -0.154 0.000 0.635 41 A CB -0.674 18.258 19.000 -0.114 0.000 0.810 41 A HN 0.577 nan 8.150 nan 0.000 0.446 42 E N -1.026 119.197 120.200 0.038 0.000 2.465 42 E HA 0.104 4.441 4.350 -0.021 0.000 0.195 42 E C -0.608 176.045 176.600 0.088 0.000 1.028 42 E CA -0.184 56.251 56.400 0.059 0.000 0.899 42 E CB -0.076 29.652 29.700 0.047 0.000 1.032 42 E HN 0.689 nan 8.360 nan 0.000 0.468 43 N N 1.716 120.469 118.700 0.089 0.000 2.727 43 N HA -0.213 4.515 4.740 -0.021 0.000 0.249 43 N C -0.760 174.792 175.510 0.071 0.000 1.048 43 N CA 0.839 53.924 53.050 0.059 0.000 0.714 43 N CB -0.568 37.925 38.487 0.011 0.000 0.959 43 N HN 0.155 nan 8.380 nan 0.000 0.544 44 K N -0.702 119.764 120.400 0.110 0.000 2.380 44 K HA 0.717 5.024 4.320 -0.021 0.000 0.243 44 K C 1.340 177.952 176.600 0.020 0.000 1.071 44 K CA -0.472 55.830 56.287 0.025 0.000 0.942 44 K CB 0.761 33.265 32.500 0.007 0.000 1.324 44 K HN 0.110 nan 8.250 nan 0.000 0.517 45 G N 0.870 109.563 108.800 -0.178 0.000 2.611 45 G HA2 -0.377 3.571 3.960 -0.021 0.000 0.301 45 G HA3 -0.377 3.571 3.960 -0.021 0.000 0.301 45 G C 0.347 175.104 174.900 -0.239 0.000 1.233 45 G CA 0.635 45.605 45.100 -0.217 0.000 0.993 45 G HN 0.643 nan 8.290 nan 0.000 0.553 46 R N -0.025 120.223 120.500 -0.419 0.000 2.313 46 R HA 0.275 4.603 4.340 -0.021 0.000 0.199 46 R C 0.723 176.687 176.300 -0.560 0.000 0.958 46 R CA 0.456 56.246 56.100 -0.516 0.000 1.047 46 R CB -0.068 29.887 30.300 -0.574 0.000 0.955 46 R HN 0.281 nan 8.270 nan 0.000 0.481 47 F N 0.984 120.938 119.950 0.007 0.000 2.983 47 F HA 0.176 4.691 4.527 -0.020 0.000 0.307 47 F C 0.667 176.419 175.800 -0.081 0.000 1.218 47 F CA -1.082 56.910 58.000 -0.012 0.000 1.323 47 F CB -0.308 38.716 39.000 0.040 0.000 0.989 47 F HN -0.138 nan 8.300 nan 0.000 0.509 48 S N -0.758 114.950 115.700 0.014 0.000 2.573 48 S HA 0.262 4.719 4.470 -0.021 0.000 0.277 48 S C 0.261 174.838 174.600 -0.039 0.000 1.346 48 S CA -0.984 57.201 58.200 -0.025 0.000 1.034 48 S CB 0.991 64.157 63.200 -0.056 0.000 0.879 48 S HN 0.047 nan 8.310 nan 0.000 0.528 49 V N 3.035 122.908 119.914 -0.068 0.000 2.644 49 V HA 0.387 4.494 4.120 -0.021 0.000 0.305 49 V C 1.787 177.847 176.094 -0.055 0.000 1.053 49 V CA 1.413 63.657 62.300 -0.093 0.000 1.186 49 V CB -0.539 31.229 31.823 -0.091 0.000 0.895 49 V HN 1.510 nan 8.190 nan 0.000 0.490 50 G N 3.363 112.140 108.800 -0.039 0.000 2.225 50 G HA2 -0.134 3.814 3.960 -0.021 0.000 0.254 50 G HA3 -0.134 3.814 3.960 -0.021 0.000 0.254 50 G C 0.500 175.403 174.900 0.005 0.000 0.988 50 G CA 0.176 45.274 45.100 -0.003 0.000 0.625 50 G HN 1.663 nan 8.290 nan 0.000 0.527 51 A N 0.241 123.063 122.820 0.004 0.000 2.531 51 A HA 0.592 4.899 4.320 -0.021 0.000 0.236 51 A C 0.658 178.266 177.584 0.040 0.000 1.062 51 A CA 1.697 53.743 52.037 0.015 0.000 0.760 51 A CB 0.266 19.277 19.000 0.018 0.000 0.995 51 A HN 0.943 nan 8.150 nan 0.000 0.501 52 T N 2.026 116.594 114.554 0.024 0.000 2.907 52 T HA 0.480 4.818 4.350 -0.021 0.000 0.292 52 T C -0.310 174.403 174.700 0.021 0.000 1.043 52 T CA -0.587 61.526 62.100 0.022 0.000 1.003 52 T CB 1.007 69.874 68.868 -0.001 0.000 1.084 52 T HN 0.741 nan 8.240 nan 0.000 0.483 53 N N 0.641 119.355 118.700 0.024 0.000 2.688 53 N HA -0.127 4.601 4.740 -0.021 0.000 0.258 53 N C -0.781 174.746 175.510 0.028 0.000 1.016 53 N CA 0.289 53.351 53.050 0.020 0.000 0.747 53 N CB -1.238 37.249 38.487 0.001 0.000 0.895 53 N HN 0.405 nan 8.380 nan 0.000 0.543 54 V N 0.399 120.353 119.914 0.067 0.000 2.350 54 V HA 0.154 4.261 4.120 -0.021 0.000 0.276 54 V C 0.927 177.060 176.094 0.065 0.000 1.028 54 V CA -0.679 61.657 62.300 0.060 0.000 0.860 54 V CB 1.683 33.583 31.823 0.129 0.000 0.990 54 V HN 0.271 nan 8.190 nan 0.000 0.453 55 E N 3.821 124.029 120.200 0.012 0.000 2.373 55 E HA 0.366 4.704 4.350 -0.021 0.000 0.267 55 E C -1.159 175.446 176.600 0.010 0.000 1.032 55 E CA -0.311 56.090 56.400 0.002 0.000 0.889 55 E CB 1.371 31.059 29.700 -0.020 0.000 0.984 55 E HN 0.485 nan 8.360 nan 0.000 0.425 56 V N 5.368 125.283 119.914 0.002 0.000 2.448 56 V HA 0.405 4.512 4.120 -0.021 0.000 0.295 56 V C -0.160 175.910 176.094 -0.040 0.000 1.025 56 V CA -0.626 61.672 62.300 -0.005 0.000 0.859 56 V CB 1.563 33.368 31.823 -0.030 0.000 0.988 56 V HN 0.695 nan 8.190 nan 0.000 0.431 57 R N 2.226 122.710 120.500 -0.026 0.000 2.668 57 R HA 0.550 4.877 4.340 -0.021 0.000 0.279 57 R C -0.616 175.689 176.300 0.009 0.000 0.976 57 R CA -0.884 55.199 56.100 -0.030 0.000 0.978 57 R CB 1.347 31.639 30.300 -0.013 0.000 1.133 57 R HN 0.859 nan 8.270 nan 0.000 0.484 58 D N 0.578 121.002 120.400 0.040 0.000 2.414 58 D HA 0.018 4.645 4.640 -0.021 0.000 0.259 58 D C 0.248 176.599 176.300 0.086 0.000 1.269 58 D CA -0.367 53.684 54.000 0.086 0.000 1.028 58 D CB 0.573 41.456 40.800 0.138 0.000 1.093 58 D HN 0.317 nan 8.370 nan 0.000 0.545 59 K N -1.170 119.287 120.400 0.096 0.000 2.362 59 K HA -0.005 4.302 4.320 -0.021 0.000 0.200 59 K C 0.557 177.201 176.600 0.073 0.000 1.046 59 K CA 0.671 57.008 56.287 0.083 0.000 0.952 59 K CB -0.129 32.425 32.500 0.089 0.000 0.753 59 K HN 0.322 nan 8.250 nan 0.000 0.466 60 N N 1.061 119.811 118.700 0.083 0.000 2.251 60 N HA 0.037 4.765 4.740 -0.021 0.000 0.217 60 N C -0.551 175.010 175.510 0.085 0.000 1.124 60 N CA 0.109 53.204 53.050 0.075 0.000 0.843 60 N CB 0.572 39.100 38.487 0.069 0.000 1.024 60 N HN 0.106 nan 8.380 nan 0.000 0.501 61 N N 0.620 119.369 118.700 0.083 0.000 2.782 61 N HA -0.225 4.503 4.740 -0.021 0.000 0.251 61 N C -0.297 175.270 175.510 0.094 0.000 1.101 61 N CA 0.624 53.715 53.050 0.069 0.000 0.764 61 N CB -1.864 36.654 38.487 0.051 0.000 1.122 61 N HN 0.622 nan 8.380 nan 0.000 0.561 62 H N 0.592 119.676 119.070 0.024 0.000 2.767 62 H HA 0.229 4.773 4.556 -0.021 0.000 0.316 62 H C -0.128 175.212 175.328 0.020 0.000 1.059 62 H CA 0.215 56.276 56.048 0.022 0.000 1.461 62 H CB 0.881 30.658 29.762 0.024 0.000 1.475 62 H HN 0.098 nan 8.280 nan 0.000 0.531 63 S N 4.439 119.886 115.700 -0.422 0.000 2.531 63 S HA 0.099 4.557 4.470 -0.021 0.000 0.279 63 S C 1.131 175.413 174.600 -0.531 0.000 1.305 63 S CA -0.707 57.284 58.200 -0.350 0.000 1.058 63 S CB 0.146 63.234 63.200 -0.186 0.000 0.899 63 S HN 0.728 nan 8.310 nan 0.000 0.493 64 L N 4.871 125.930 121.223 -0.273 0.000 2.667 64 L HA 0.367 4.694 4.340 -0.021 0.000 0.232 64 L C 1.336 178.149 176.870 -0.094 0.000 1.138 64 L CA 0.087 54.824 54.840 -0.172 0.000 0.921 64 L CB -1.030 40.978 42.059 -0.086 0.000 1.180 64 L HN 1.015 nan 8.230 nan 0.000 0.487 65 G N 0.767 109.512 108.800 -0.092 0.000 2.681 65 G HA2 -0.239 3.709 3.960 -0.021 0.000 0.220 65 G HA3 -0.239 3.709 3.960 -0.021 0.000 0.220 65 G C -0.506 174.378 174.900 -0.027 0.000 1.353 65 G CA -0.735 44.337 45.100 -0.046 0.000 0.872 65 G HN 0.232 nan 8.290 nan 0.000 0.557 66 N N -0.592 118.104 118.700 -0.006 0.000 2.515 66 N HA 0.368 5.096 4.740 -0.021 0.000 0.279 66 N C 1.376 176.895 175.510 0.015 0.000 1.164 66 N CA 0.052 53.112 53.050 0.016 0.000 0.982 66 N CB 1.670 40.171 38.487 0.023 0.000 1.170 66 N HN 0.842 nan 8.380 nan 0.000 0.474 67 V N 1.279 121.216 119.914 0.039 0.000 2.515 67 V HA 0.061 4.169 4.120 -0.021 0.000 0.250 67 V C 0.472 176.570 176.094 0.007 0.000 1.058 67 V CA 1.523 63.803 62.300 -0.034 0.000 1.064 67 V CB -0.112 31.664 31.823 -0.079 0.000 0.675 67 V HN 0.416 nan 8.190 nan 0.000 0.461 68 L N -0.279 120.988 121.223 0.073 0.000 2.354 68 L HA 0.528 4.856 4.340 -0.021 0.000 0.264 68 L C -2.412 174.483 176.870 0.042 0.000 1.008 68 L CA -2.067 52.830 54.840 0.095 0.000 0.819 68 L CB 2.011 44.168 42.059 0.163 0.000 1.339 68 L HN -0.052 nan 8.230 nan 0.000 0.420 69 P HA 0.008 nan 4.420 nan 0.000 0.271 69 P C -0.892 176.382 177.300 -0.044 0.000 1.233 69 P CA -0.386 62.708 63.100 -0.010 0.000 0.789 69 P CB 0.318 32.008 31.700 -0.017 0.000 0.951 70 N N 0.772 119.451 118.700 -0.034 0.000 2.294 70 N HA 0.088 4.816 4.740 -0.021 0.000 0.263 70 N C 1.304 176.772 175.510 -0.071 0.000 1.281 70 N CA 1.930 54.957 53.050 -0.039 0.000 0.846 70 N CB -0.474 37.998 38.487 -0.025 0.000 1.061 70 N HN 0.698 nan 8.380 nan 0.000 0.478 71 G N 2.879 111.641 108.800 -0.064 0.000 2.212 71 G HA2 -0.284 3.664 3.960 -0.021 0.000 0.266 71 G HA3 -0.284 3.664 3.960 -0.021 0.000 0.266 71 G C 0.245 175.057 174.900 -0.146 0.000 0.978 71 G CA 0.349 45.401 45.100 -0.079 0.000 0.632 71 G HN 0.614 nan 8.290 nan 0.000 0.537 72 I N 3.691 124.130 120.570 -0.217 0.000 2.352 72 I HA 0.274 4.432 4.170 -0.021 0.000 0.290 72 I C -1.425 174.602 176.117 -0.150 0.000 1.036 72 I CA -2.117 58.927 61.300 -0.428 0.000 1.336 72 I CB 1.243 38.879 38.000 -0.607 0.000 1.407 72 I HN -0.034 nan 8.210 nan 0.000 0.497 73 P HA 0.104 nan 4.420 nan 0.000 0.276 73 P C -0.582 176.845 177.300 0.213 0.000 1.244 73 P CA -0.674 62.474 63.100 0.081 0.000 0.801 73 P CB 0.885 32.646 31.700 0.102 0.000 1.006 74 M N 2.854 122.506 119.600 0.087 0.000 2.239 74 M HA 0.181 4.648 4.480 -0.021 0.000 0.348 74 M C -0.079 176.072 176.300 -0.248 0.000 1.239 74 M CA -0.345 54.913 55.300 -0.070 0.000 1.114 74 M CB -0.642 31.915 32.600 -0.072 0.000 1.641 74 M HN 0.320 nan 8.290 nan 0.000 0.453 75 I N 3.168 123.281 120.570 -0.760 0.000 2.882 75 I HA 0.097 4.255 4.170 -0.021 0.000 0.286 75 I C -0.233 175.384 176.117 -0.834 0.000 1.139 75 I CA -0.073 60.603 61.300 -1.041 0.000 1.379 75 I CB 0.580 37.391 38.000 -1.982 0.000 1.410 75 I HN 0.664 nan 8.210 nan 0.000 0.594 76 D N 5.262 125.312 120.400 -0.582 0.000 2.380 76 D HA 0.124 4.751 4.640 -0.021 0.000 0.230 76 D C 0.235 176.294 176.300 -0.402 0.000 1.154 76 D CA -0.062 53.710 54.000 -0.380 0.000 0.859 76 D CB 0.403 41.105 40.800 -0.165 0.000 1.045 76 D HN 0.311 nan 8.370 nan 0.000 0.495 77 F N 1.533 121.295 119.950 -0.315 0.000 2.802 77 F HA 0.009 4.523 4.527 -0.021 0.000 0.300 77 F C 2.378 178.115 175.800 -0.105 0.000 1.168 77 F CA 0.128 57.956 58.000 -0.286 0.000 1.433 77 F CB -0.181 38.656 39.000 -0.273 0.000 1.115 77 F HN 0.299 nan 8.300 nan 0.000 0.582 78 S N -0.200 115.572 115.700 0.120 0.000 2.547 78 S HA -0.085 4.373 4.470 -0.021 0.000 0.235 78 S C 2.282 176.974 174.600 0.153 0.000 0.980 78 S CA 0.936 59.206 58.200 0.117 0.000 0.941 78 S CB -0.450 62.865 63.200 0.193 0.000 0.763 78 S HN 0.351 nan 8.310 nan 0.000 0.532 79 V N -0.984 119.017 119.914 0.144 0.000 3.305 79 V HA 0.125 4.233 4.120 -0.021 0.000 0.269 79 V C 0.653 176.943 176.094 0.327 0.000 1.157 79 V CA 0.214 62.615 62.300 0.168 0.000 1.157 79 V CB -0.955 30.939 31.823 0.118 0.000 0.772 79 V HN 0.187 nan 8.190 nan 0.000 0.498 80 V N 3.497 123.595 119.914 0.306 0.000 2.481 80 V HA 0.294 4.401 4.120 -0.021 0.000 0.286 80 V C 0.284 176.408 176.094 0.051 0.000 1.042 80 V CA -0.815 61.631 62.300 0.243 0.000 0.928 80 V CB 1.366 33.307 31.823 0.197 0.000 0.986 80 V HN 0.654 nan 8.190 nan 0.000 0.462 81 D N 3.893 124.184 120.400 -0.182 0.000 2.400 81 D HA 0.006 4.634 4.640 -0.021 0.000 0.238 81 D C 1.159 177.264 176.300 -0.325 0.000 1.157 81 D CA 0.014 53.609 54.000 -0.675 0.000 0.889 81 D CB 2.101 42.499 40.800 -0.670 0.000 1.199 81 D HN 0.401 nan 8.370 nan 0.000 0.436 82 V N -0.994 118.730 119.914 -0.316 0.000 2.878 82 V HA -0.088 4.019 4.120 -0.021 0.000 0.250 82 V C 1.255 177.280 176.094 -0.116 0.000 1.075 82 V CA 1.101 63.298 62.300 -0.171 0.000 1.096 82 V CB -0.289 31.445 31.823 -0.149 0.000 0.724 82 V HN 0.379 nan 8.190 nan 0.000 0.467 83 D N 0.856 121.188 120.400 -0.113 0.000 2.183 83 D HA 0.057 4.685 4.640 -0.021 0.000 0.205 83 D C 2.056 178.348 176.300 -0.014 0.000 0.962 83 D CA 1.383 55.345 54.000 -0.064 0.000 0.849 83 D CB 0.150 40.910 40.800 -0.065 0.000 0.978 83 D HN 0.520 nan 8.370 nan 0.000 0.488 84 K N -0.807 119.578 120.400 -0.025 0.000 2.464 84 K HA 0.204 4.511 4.320 -0.021 0.000 0.206 84 K C -0.173 176.473 176.600 0.078 0.000 1.186 84 K CA -0.256 56.081 56.287 0.083 0.000 0.990 84 K CB 1.357 33.805 32.500 -0.087 0.000 1.003 84 K HN -0.250 nan 8.250 nan 0.000 0.562 85 R N 0.660 121.152 120.500 -0.015 0.000 3.416 85 R HA -0.153 4.174 4.340 -0.021 0.000 0.263 85 R C 0.285 176.605 176.300 0.032 0.000 1.053 85 R CA 0.794 56.886 56.100 -0.013 0.000 0.705 85 R CB -2.447 27.825 30.300 -0.045 0.000 1.124 85 R HN 0.406 nan 8.270 nan 0.000 0.444 86 I N -4.975 115.618 120.570 0.038 0.000 4.082 86 I HA 0.564 4.721 4.170 -0.021 0.000 0.337 86 I C 0.431 176.604 176.117 0.093 0.000 1.352 86 I CA -0.073 61.268 61.300 0.069 0.000 1.097 86 I CB 1.082 39.120 38.000 0.063 0.000 1.048 86 I HN 0.128 nan 8.210 nan 0.000 0.393 87 A N 0.095 122.959 122.820 0.073 0.000 2.427 87 A HA 0.850 5.158 4.320 -0.021 0.000 0.298 87 A C -0.480 177.178 177.584 0.123 0.000 1.036 87 A CA -0.326 51.767 52.037 0.092 0.000 0.701 87 A CB 0.987 20.033 19.000 0.077 0.000 1.250 87 A HN 0.120 nan 8.150 nan 0.000 0.412 88 T N 2.353 116.932 114.554 0.042 0.000 2.824 88 T HA 0.447 4.785 4.350 -0.021 0.000 0.282 88 T C -0.582 174.062 174.700 -0.093 0.000 0.993 88 T CA -0.313 61.789 62.100 0.002 0.000 0.967 88 T CB 1.130 69.882 68.868 -0.193 0.000 0.960 88 T HN 0.577 nan 8.240 nan 0.000 0.441 89 L N 5.116 126.317 121.223 -0.036 0.000 2.407 89 L HA 0.324 4.651 4.340 -0.021 0.000 0.282 89 L C 0.456 177.231 176.870 -0.157 0.000 1.110 89 L CA -0.045 54.689 54.840 -0.177 0.000 0.863 89 L CB -0.149 41.689 42.059 -0.369 0.000 1.207 89 L HN 0.678 nan 8.230 nan 0.000 0.454 90 I N 1.549 122.030 120.570 -0.149 0.000 4.082 90 I HA 0.445 4.603 4.170 -0.021 0.000 0.337 90 I C 0.119 176.207 176.117 -0.048 0.000 1.352 90 I CA -0.018 61.204 61.300 -0.130 0.000 1.097 90 I CB -0.553 37.315 38.000 -0.220 0.000 1.048 90 I HN 0.536 nan 8.210 nan 0.000 0.393 91 N N 0.534 119.220 118.700 -0.024 0.000 2.598 91 N HA 0.295 5.022 4.740 -0.021 0.000 0.263 91 N C -2.617 172.871 175.510 -0.037 0.000 1.254 91 N CA -1.143 51.916 53.050 0.016 0.000 0.863 91 N CB 2.438 41.007 38.487 0.137 0.000 1.586 91 N HN -0.364 nan 8.380 nan 0.000 0.491 92 P HA -0.050 nan 4.420 nan 0.000 0.221 92 P C 0.453 177.667 177.300 -0.144 0.000 1.145 92 P CA 1.368 64.359 63.100 -0.181 0.000 0.795 92 P CB 0.354 31.865 31.700 -0.316 0.000 0.775 93 Q N -2.747 117.031 119.800 -0.037 0.000 2.171 93 Q HA 0.145 4.472 4.340 -0.021 0.000 0.218 93 Q C -0.731 175.026 176.000 -0.404 0.000 0.822 93 Q CA -0.089 55.642 55.803 -0.120 0.000 0.987 93 Q CB 0.462 29.199 28.738 -0.002 0.000 1.144 93 Q HN 0.213 nan 8.270 nan 0.000 0.494 94 Y N -0.841 119.425 120.300 -0.057 0.000 2.524 94 Y HA 0.470 5.007 4.550 -0.021 0.000 0.347 94 Y C -0.214 175.637 175.900 -0.083 0.000 1.005 94 Y CA -1.231 56.844 58.100 -0.043 0.000 1.025 94 Y CB 1.742 40.199 38.460 -0.005 0.000 1.275 94 Y HN -0.152 nan 8.280 nan 0.000 0.460 95 V N -0.468 119.496 119.914 0.083 0.000 3.103 95 V HA 0.914 5.021 4.120 -0.021 0.000 0.318 95 V C -1.096 175.009 176.094 0.018 0.000 1.114 95 V CA -1.017 61.291 62.300 0.013 0.000 1.020 95 V CB 1.788 33.632 31.823 0.035 0.000 1.085 95 V HN 0.496 nan 8.190 nan 0.000 0.446 96 V N 0.575 120.454 119.914 -0.059 0.000 2.735 96 V HA 1.007 5.114 4.120 -0.021 0.000 0.310 96 V C 0.559 176.684 176.094 0.051 0.000 1.061 96 V CA 0.629 62.908 62.300 -0.036 0.000 0.913 96 V CB 1.483 33.273 31.823 -0.055 0.000 1.005 96 V HN 1.543 nan 8.190 nan 0.000 0.428 97 G N 1.834 110.723 108.800 0.148 0.000 2.650 97 G HA2 0.653 4.600 3.960 -0.021 0.000 0.310 97 G HA3 0.653 4.600 3.960 -0.021 0.000 0.310 97 G C -1.182 173.613 174.900 -0.175 0.000 1.270 97 G CA 0.143 45.340 45.100 0.163 0.000 0.810 97 G HN 1.246 nan 8.290 nan 0.000 0.493 98 V N -1.060 118.606 119.914 -0.415 0.000 2.581 98 V HA 0.648 4.756 4.120 -0.021 0.000 0.303 98 V C 1.184 176.641 176.094 -1.062 0.000 1.041 98 V CA 0.003 61.960 62.300 -0.572 0.000 0.907 98 V CB 1.590 33.208 31.823 -0.342 0.000 0.994 98 V HN 1.044 nan 8.190 nan 0.000 0.442 99 K N 2.535 122.478 120.400 -0.761 0.000 2.366 99 K HA -0.110 4.197 4.320 -0.021 0.000 0.198 99 K C 1.636 178.067 176.600 -0.283 0.000 1.044 99 K CA 1.423 57.320 56.287 -0.651 0.000 0.973 99 K CB -0.434 31.974 32.500 -0.154 0.000 0.767 99 K HN 0.991 nan 8.250 nan 0.000 0.475 100 H N 0.585 119.531 119.070 -0.205 0.000 2.521 100 H HA 0.022 4.566 4.556 -0.020 0.000 0.286 100 H C 0.105 175.400 175.328 -0.056 0.000 1.034 100 H CA 0.463 56.456 56.048 -0.091 0.000 1.278 100 H CB -0.085 29.638 29.762 -0.065 0.000 1.386 100 H HN -0.006 nan 8.280 nan 0.000 0.567 101 V N 3.952 123.645 119.914 -0.369 0.000 2.055 101 V HA -0.042 4.065 4.120 -0.021 0.000 0.248 101 V C 1.407 177.512 176.094 0.019 0.000 1.476 101 V CA 0.616 62.824 62.300 -0.154 0.000 1.417 101 V CB 0.101 31.806 31.823 -0.197 0.000 1.465 101 V HN 0.536 nan 8.190 nan 0.000 0.502 102 S N 1.377 117.120 115.700 0.071 0.000 2.496 102 S HA -0.036 4.422 4.470 -0.021 0.000 0.224 102 S C 1.214 175.890 174.600 0.125 0.000 0.996 102 S CA 0.765 59.053 58.200 0.146 0.000 0.927 102 S CB -0.291 62.976 63.200 0.113 0.000 0.774 102 S HN 0.769 nan 8.310 nan 0.000 0.524 103 N N 0.889 119.631 118.700 0.070 0.000 2.368 103 N HA 0.198 4.925 4.740 -0.021 0.000 0.178 103 N C 1.773 177.283 175.510 0.000 0.000 1.076 103 N CA 0.358 53.429 53.050 0.035 0.000 0.889 103 N CB -0.100 38.396 38.487 0.016 0.000 1.040 103 N HN 0.486 nan 8.380 nan 0.000 0.463 104 G N 0.920 109.709 108.800 -0.019 0.000 2.471 104 G HA2 -0.156 3.791 3.960 -0.021 0.000 0.219 104 G HA3 -0.156 3.791 3.960 -0.021 0.000 0.219 104 G C 1.311 176.184 174.900 -0.044 0.000 1.125 104 G CA 0.904 45.950 45.100 -0.090 0.000 0.775 104 G HN 0.265 nan 8.290 nan 0.000 0.548 105 V N -1.993 117.922 119.914 0.002 0.000 3.542 105 V HA 0.230 4.337 4.120 -0.021 0.000 0.296 105 V C 2.141 178.229 176.094 -0.011 0.000 1.364 105 V CA 0.773 63.050 62.300 -0.038 0.000 1.118 105 V CB 0.218 31.950 31.823 -0.151 0.000 0.972 105 V HN 0.121 nan 8.190 nan 0.000 0.430 106 S N 1.002 116.720 115.700 0.029 0.000 2.368 106 S HA -0.116 4.342 4.470 -0.021 0.000 0.225 106 S C 0.895 175.603 174.600 0.181 0.000 1.030 106 S CA 1.673 59.933 58.200 0.100 0.000 0.999 106 S CB -0.089 63.172 63.200 0.102 0.000 0.844 106 S HN 0.889 nan 8.310 nan 0.000 0.459 107 E N -0.079 120.166 120.200 0.075 0.000 2.256 107 E HA 0.579 4.917 4.350 -0.021 0.000 0.268 107 E C -1.678 174.846 176.600 -0.126 0.000 0.877 107 E CA -0.434 55.925 56.400 -0.069 0.000 0.757 107 E CB 1.015 30.706 29.700 -0.016 0.000 1.183 107 E HN 0.137 nan 8.360 nan 0.000 0.418 108 L N 3.532 124.617 121.223 -0.231 0.000 2.388 108 L HA 0.536 4.864 4.340 -0.021 0.000 0.264 108 L C -0.607 176.061 176.870 -0.336 0.000 0.998 108 L CA -0.955 53.758 54.840 -0.211 0.000 0.817 108 L CB 2.354 44.319 42.059 -0.156 0.000 1.338 108 L HN 0.568 nan 8.230 nan 0.000 0.414 109 H N 1.639 120.519 119.070 -0.318 0.000 2.572 109 H HA 0.518 5.061 4.556 -0.021 0.000 0.359 109 H C -1.430 173.619 175.328 -0.464 0.000 1.134 109 H CA -0.429 55.493 56.048 -0.211 0.000 1.187 109 H CB 2.499 32.167 29.762 -0.157 0.000 1.597 109 H HN 0.265 nan 8.280 nan 0.000 0.524 110 F N -0.064 119.956 119.950 0.117 0.000 2.546 110 F HA 0.454 4.969 4.527 -0.021 0.000 0.320 110 F C 1.136 176.823 175.800 -0.188 0.000 1.076 110 F CA 0.615 58.590 58.000 -0.040 0.000 0.928 110 F CB 2.029 40.993 39.000 -0.060 0.000 1.189 110 F HN 0.875 nan 8.300 nan 0.000 0.465 111 G N 2.196 110.789 108.800 -0.345 0.000 3.076 111 G HA2 -0.246 3.702 3.960 -0.021 0.000 0.256 111 G HA3 -0.246 3.702 3.960 -0.021 0.000 0.256 111 G C -0.439 173.787 174.900 -1.124 0.000 1.589 111 G CA -0.270 44.033 45.100 -1.327 0.000 1.044 111 G HN 0.916 nan 8.290 nan 0.000 0.563 112 N N 2.117 120.572 118.700 -0.408 0.000 2.479 112 N HA 0.275 5.003 4.740 -0.021 0.000 0.257 112 N C 0.531 176.028 175.510 -0.022 0.000 1.232 112 N CA -0.150 52.900 53.050 -0.001 0.000 0.920 112 N CB 1.037 39.623 38.487 0.165 0.000 1.105 112 N HN 0.620 nan 8.380 nan 0.000 0.444 113 L N 1.315 122.563 121.223 0.043 0.000 2.511 113 L HA 0.135 4.463 4.340 -0.021 0.000 0.239 113 L C -0.448 176.491 176.870 0.114 0.000 1.400 113 L CA -0.044 54.810 54.840 0.024 0.000 1.226 113 L CB -1.315 40.740 42.059 -0.006 0.000 1.475 113 L HN 0.442 nan 8.230 nan 0.000 0.428 114 N N 0.395 119.135 118.700 0.067 0.000 2.430 114 N HA 0.663 5.391 4.740 -0.021 0.000 0.290 114 N C 0.029 175.423 175.510 -0.193 0.000 1.063 114 N CA -0.398 52.686 53.050 0.057 0.000 0.883 114 N CB 2.201 40.741 38.487 0.089 0.000 1.465 114 N HN 0.244 nan 8.380 nan 0.000 0.493 115 G N 0.279 108.881 108.800 -0.330 0.000 3.183 115 G HA2 0.252 4.200 3.960 -0.021 0.000 0.247 115 G HA3 0.252 4.200 3.960 -0.021 0.000 0.247 115 G C -1.077 173.449 174.900 -0.624 0.000 1.211 115 G CA -0.525 44.058 45.100 -0.862 0.000 0.835 115 G HN 0.491 nan 8.290 nan 0.000 0.604 116 N N 0.308 118.754 118.700 -0.423 0.000 2.479 116 N HA 0.010 4.737 4.740 -0.021 0.000 0.257 116 N C 1.614 177.089 175.510 -0.059 0.000 1.232 116 N CA -0.410 52.573 53.050 -0.111 0.000 0.920 116 N CB 0.789 39.276 38.487 0.001 0.000 1.105 116 N HN 0.239 nan 8.380 nan 0.000 0.444 117 M N 2.668 122.260 119.600 -0.013 0.000 2.346 117 M HA -0.159 4.308 4.480 -0.021 0.000 0.263 117 M C 0.695 177.002 176.300 0.011 0.000 1.064 117 M CA 1.457 56.759 55.300 0.003 0.000 1.083 117 M CB -1.059 31.549 32.600 0.014 0.000 1.399 117 M HN 0.548 nan 8.290 nan 0.000 0.435 118 N N -0.017 118.689 118.700 0.011 0.000 2.353 118 N HA 0.010 4.737 4.740 -0.021 0.000 0.185 118 N C 0.017 175.539 175.510 0.022 0.000 1.098 118 N CA 0.032 53.092 53.050 0.018 0.000 0.872 118 N CB 0.278 38.776 38.487 0.018 0.000 0.970 118 N HN 0.446 nan 8.380 nan 0.000 0.467 119 N N -1.439 117.269 118.700 0.012 0.000 2.992 119 N HA 0.336 5.063 4.740 -0.021 0.000 0.338 119 N C 1.018 176.545 175.510 0.028 0.000 1.376 119 N CA -0.621 52.443 53.050 0.022 0.000 0.778 119 N CB 0.327 38.816 38.487 0.005 0.000 1.232 119 N HN -0.070 nan 8.380 nan 0.000 0.581 120 G N -0.872 107.945 108.800 0.027 0.000 2.985 120 G HA2 -0.022 3.925 3.960 -0.021 0.000 0.209 120 G HA3 -0.022 3.925 3.960 -0.021 0.000 0.209 120 G C -0.003 174.909 174.900 0.019 0.000 1.165 120 G CA 0.186 45.308 45.100 0.038 0.000 0.776 120 G HN 0.387 nan 8.290 nan 0.000 0.541 121 N N 0.688 119.404 118.700 0.027 0.000 2.541 121 N HA 0.261 4.989 4.740 -0.021 0.000 0.297 121 N C 1.295 176.909 175.510 0.173 0.000 1.503 121 N CA 0.161 53.264 53.050 0.089 0.000 0.919 121 N CB 1.297 39.790 38.487 0.011 0.000 1.305 121 N HN 0.170 nan 8.380 nan 0.000 0.501 122 A N 0.435 123.353 122.820 0.164 0.000 2.119 122 A HA 0.004 4.312 4.320 -0.021 0.000 0.216 122 A C 1.129 178.739 177.584 0.044 0.000 1.152 122 A CA 0.714 52.794 52.037 0.072 0.000 0.708 122 A CB 0.112 19.144 19.000 0.053 0.000 0.805 122 A HN 0.094 nan 8.150 nan 0.000 0.460 123 K N 1.273 121.705 120.400 0.053 0.000 2.326 123 K HA 0.330 4.637 4.320 -0.021 0.000 0.275 123 K C -0.350 176.134 176.600 -0.194 0.000 1.018 123 K CA -0.086 56.091 56.287 -0.183 0.000 0.962 123 K CB 0.682 32.866 32.500 -0.527 0.000 0.953 123 K HN 0.244 nan 8.250 nan 0.000 0.475 124 S N 1.290 116.908 115.700 -0.136 0.000 2.616 124 S HA 0.070 4.527 4.470 -0.021 0.000 0.277 124 S C -0.167 174.375 174.600 -0.095 0.000 1.234 124 S CA -0.758 57.398 58.200 -0.073 0.000 1.028 124 S CB 0.702 63.884 63.200 -0.030 0.000 0.988 124 S HN 0.473 nan 8.310 nan 0.000 0.522 125 H N 2.782 121.795 119.070 -0.096 0.000 2.848 125 H HA 0.060 4.604 4.556 -0.021 0.000 0.341 125 H C 1.595 176.870 175.328 -0.088 0.000 1.060 125 H CA 0.201 56.199 56.048 -0.084 0.000 1.444 125 H CB 0.548 30.292 29.762 -0.031 0.000 1.446 125 H HN 0.758 nan 8.280 nan 0.000 0.583 126 R N 2.664 122.944 120.500 -0.368 0.000 2.152 126 R HA -0.098 4.230 4.340 -0.021 0.000 0.232 126 R C 0.040 176.338 176.300 -0.003 0.000 1.117 126 R CA 1.610 57.579 56.100 -0.219 0.000 0.981 126 R CB 0.195 30.155 30.300 -0.567 0.000 0.870 126 R HN 0.416 nan 8.270 nan 0.000 0.451 127 D N 0.274 120.833 120.400 0.267 0.000 2.366 127 D HA 0.146 4.773 4.640 -0.021 0.000 0.205 127 D C -0.368 175.974 176.300 0.071 0.000 1.022 127 D CA 0.432 54.573 54.000 0.235 0.000 0.868 127 D CB 0.955 41.968 40.800 0.355 0.000 0.953 127 D HN -0.010 nan 8.370 nan 0.000 0.514 128 V N 1.296 121.222 119.914 0.021 0.000 2.532 128 V HA 0.188 4.296 4.120 -0.021 0.000 0.294 128 V C 0.082 176.092 176.094 -0.140 0.000 1.036 128 V CA -1.072 61.070 62.300 -0.263 0.000 0.876 128 V CB 1.734 33.360 31.823 -0.327 0.000 1.012 128 V HN 0.081 nan 8.190 nan 0.000 0.432 129 S N 3.184 118.786 115.700 -0.164 0.000 2.589 129 S HA 0.130 4.587 4.470 -0.021 0.000 0.265 129 S C 1.513 176.088 174.600 -0.042 0.000 1.342 129 S CA 0.306 58.465 58.200 -0.070 0.000 1.005 129 S CB 1.287 64.455 63.200 -0.054 0.000 0.909 129 S HN 1.257 nan 8.310 nan 0.000 0.555 130 S N 0.534 116.235 115.700 0.001 0.000 2.474 130 S HA -0.062 4.395 4.470 -0.021 0.000 0.235 130 S C 1.124 175.783 174.600 0.098 0.000 0.997 130 S CA 0.811 59.040 58.200 0.048 0.000 0.949 130 S CB -0.657 62.557 63.200 0.023 0.000 0.766 130 S HN 0.813 nan 8.310 nan 0.000 0.517 131 E N 1.440 121.655 120.200 0.026 0.000 2.274 131 E HA 0.007 4.345 4.350 -0.021 0.000 0.194 131 E C 1.879 178.426 176.600 -0.088 0.000 0.996 131 E CA 0.745 57.131 56.400 -0.023 0.000 0.840 131 E CB -0.137 29.559 29.700 -0.006 0.000 0.772 131 E HN 0.516 nan 8.360 nan 0.000 0.491 132 E N 0.950 121.108 120.200 -0.070 0.000 2.268 132 E HA -0.096 4.241 4.350 -0.021 0.000 0.195 132 E C 0.775 177.350 176.600 -0.041 0.000 0.995 132 E CA 0.728 57.091 56.400 -0.061 0.000 0.836 132 E CB -0.114 29.498 29.700 -0.147 0.000 0.763 132 E HN 0.383 nan 8.360 nan 0.000 0.491 133 N N 0.239 118.921 118.700 -0.029 0.000 2.338 133 N HA -0.006 4.722 4.740 -0.021 0.000 0.251 133 N C -0.072 175.340 175.510 -0.163 0.000 1.199 133 N CA -0.191 52.878 53.050 0.031 0.000 0.879 133 N CB 0.212 38.796 38.487 0.162 0.000 1.159 133 N HN -0.096 nan 8.380 nan 0.000 0.514 134 R N 0.351 120.530 120.500 -0.535 0.000 2.428 134 R HA 0.413 4.740 4.340 -0.021 0.000 0.294 134 R C -1.347 174.292 176.300 -1.102 0.000 1.000 134 R CA -0.300 55.246 56.100 -0.924 0.000 0.960 134 R CB 0.737 30.572 30.300 -0.774 0.000 1.076 134 R HN 0.040 nan 8.270 nan 0.000 0.475 135 Y N 2.550 122.494 120.300 -0.595 0.000 2.524 135 Y HA 0.449 4.987 4.550 -0.020 0.000 0.347 135 Y C -0.948 174.603 175.900 -0.582 0.000 1.005 135 Y CA -0.708 57.164 58.100 -0.380 0.000 1.025 135 Y CB 1.752 40.167 38.460 -0.075 0.000 1.275 135 Y HN 0.406 nan 8.280 nan 0.000 0.460 136 F N 0.437 120.435 119.950 0.080 0.000 2.508 136 F HA 0.504 5.019 4.527 -0.021 0.000 0.325 136 F C 0.224 176.043 175.800 0.032 0.000 1.090 136 F CA -1.177 56.840 58.000 0.029 0.000 0.945 136 F CB 1.901 40.901 39.000 -0.000 0.000 1.156 136 F HN 0.413 nan 8.300 nan 0.000 0.463 137 S N 0.747 116.556 115.700 0.181 0.000 2.562 137 S HA 0.318 4.775 4.470 -0.021 0.000 0.281 137 S C 0.534 175.186 174.600 0.086 0.000 1.333 137 S CA -0.194 58.052 58.200 0.077 0.000 1.052 137 S CB 1.232 64.433 63.200 0.003 0.000 0.884 137 S HN 0.801 nan 8.310 nan 0.000 0.506 138 V N -2.004 117.936 119.914 0.043 0.000 3.645 138 V HA 0.533 4.641 4.120 -0.021 0.000 0.275 138 V C 0.019 176.129 176.094 0.026 0.000 1.356 138 V CA 0.575 62.897 62.300 0.037 0.000 1.051 138 V CB -0.755 31.091 31.823 0.040 0.000 0.828 138 V HN 0.964 nan 8.190 nan 0.000 0.441 139 E N -0.229 119.984 120.200 0.021 0.000 2.422 139 E HA 0.364 4.702 4.350 -0.021 0.000 0.289 139 E C 0.010 176.626 176.600 0.026 0.000 0.985 139 E CA -0.462 55.961 56.400 0.037 0.000 0.812 139 E CB 1.527 31.262 29.700 0.058 0.000 1.226 139 E HN -0.127 nan 8.360 nan 0.000 0.419 140 K N 2.057 122.480 120.400 0.038 0.000 2.243 140 K HA 0.156 4.463 4.320 -0.021 0.000 0.201 140 K C -0.360 176.314 176.600 0.124 0.000 1.051 140 K CA 0.759 57.043 56.287 -0.006 0.000 0.970 140 K CB -0.527 32.005 32.500 0.052 0.000 0.755 140 K HN 0.744 nan 8.250 nan 0.000 0.465 141 N N 2.417 121.234 118.700 0.194 0.000 2.696 141 N HA -0.165 4.562 4.740 -0.021 0.000 0.256 141 N C -1.106 174.713 175.510 0.515 0.000 1.031 141 N CA 0.357 53.591 53.050 0.306 0.000 0.730 141 N CB -1.072 37.559 38.487 0.240 0.000 0.894 141 N HN 0.305 nan 8.380 nan 0.000 0.544 142 E N 0.385 120.832 120.200 0.413 0.000 2.414 142 E HA -0.067 4.271 4.350 -0.021 0.000 0.263 142 E C -0.117 176.704 176.600 0.370 0.000 1.000 142 E CA -0.156 56.486 56.400 0.403 0.000 0.914 142 E CB 0.443 30.307 29.700 0.273 0.000 0.948 142 E HN 0.287 nan 8.360 nan 0.000 0.444 143 Y N 5.299 125.644 120.300 0.076 0.000 2.569 143 Y HA 0.059 4.596 4.550 -0.020 0.000 0.332 143 Y C -1.940 173.908 175.900 -0.086 0.000 1.120 143 Y CA -1.853 56.068 58.100 -0.298 0.000 1.416 143 Y CB 0.490 38.677 38.460 -0.455 0.000 1.210 143 Y HN 0.337 nan 8.280 nan 0.000 0.528 144 P HA 0.030 nan 4.420 nan 0.000 0.279 144 P C -0.432 176.794 177.300 -0.124 0.000 1.239 144 P CA -0.394 62.609 63.100 -0.162 0.000 0.789 144 P CB 1.200 32.812 31.700 -0.147 0.000 0.933 145 T N 1.555 116.104 114.554 -0.008 0.000 2.930 145 T HA 0.085 4.422 4.350 -0.021 0.000 0.306 145 T C 1.058 175.761 174.700 0.005 0.000 1.045 145 T CA -0.008 62.110 62.100 0.030 0.000 1.134 145 T CB -0.064 68.823 68.868 0.030 0.000 0.961 145 T HN 0.309 nan 8.240 nan 0.000 0.545 146 K N 3.258 123.676 120.400 0.030 0.000 2.358 146 K HA 0.284 4.591 4.320 -0.021 0.000 0.197 146 K C 0.264 176.872 176.600 0.013 0.000 1.025 146 K CA -0.056 56.241 56.287 0.016 0.000 1.104 146 K CB 0.326 32.846 32.500 0.033 0.000 0.855 146 K HN 0.481 nan 8.250 nan 0.000 0.531 147 L N 1.306 122.537 121.223 0.013 0.000 2.421 147 L HA 0.184 4.512 4.340 -0.021 0.000 0.263 147 L C -0.428 176.444 176.870 0.004 0.000 1.122 147 L CA -0.606 54.238 54.840 0.007 0.000 0.804 147 L CB 0.717 42.778 42.059 0.004 0.000 1.150 147 L HN 0.099 nan 8.230 nan 0.000 0.457 148 N N 1.277 119.978 118.700 0.002 0.000 2.626 148 N HA 0.609 5.336 4.740 -0.021 0.000 0.249 148 N C 0.084 175.595 175.510 0.000 0.000 1.021 148 N CA -0.110 52.941 53.050 0.002 0.000 0.886 148 N CB 1.689 40.177 38.487 0.001 0.000 1.149 148 N HN 0.889 nan 8.380 nan 0.000 0.517 149 G N 1.611 110.412 108.800 0.001 0.000 2.464 149 G HA2 -0.218 3.729 3.960 -0.021 0.000 0.216 149 G HA3 -0.218 3.729 3.960 -0.021 0.000 0.216 149 G C -1.226 173.673 174.900 -0.003 0.000 1.186 149 G CA -0.828 44.272 45.100 -0.000 0.000 1.010 149 G HN 0.485 nan 8.290 nan 0.000 0.585 150 K N 0.648 121.044 120.400 -0.005 0.000 2.110 150 K HA 0.709 5.017 4.320 -0.021 0.000 0.263 150 K C 0.265 176.856 176.600 -0.014 0.000 0.975 150 K CA -0.062 56.218 56.287 -0.010 0.000 0.895 150 K CB 1.850 34.344 32.500 -0.010 0.000 1.060 150 K HN 1.227 nan 8.250 nan 0.000 0.448 151 A N 2.654 125.461 122.820 -0.021 0.000 2.496 151 A HA 0.114 4.421 4.320 -0.021 0.000 0.278 151 A C 0.957 178.526 177.584 -0.024 0.000 1.137 151 A CA -0.388 51.633 52.037 -0.026 0.000 0.805 151 A CB -0.437 18.539 19.000 -0.039 0.000 1.077 151 A HN 0.600 nan 8.150 nan 0.000 0.513 152 V N 3.035 122.938 119.914 -0.019 0.000 2.300 152 V HA -0.057 4.051 4.120 -0.021 0.000 0.233 152 V C 1.910 177.992 176.094 -0.020 0.000 1.052 152 V CA 2.020 64.309 62.300 -0.017 0.000 1.026 152 V CB -1.104 30.711 31.823 -0.013 0.000 0.661 152 V HN 0.961 nan 8.190 nan 0.000 0.470 153 T N -1.002 113.542 114.554 -0.018 0.000 2.766 153 T HA 0.057 4.394 4.350 -0.021 0.000 0.295 153 T C 1.273 175.959 174.700 -0.023 0.000 1.024 153 T CA 0.438 62.527 62.100 -0.019 0.000 1.018 153 T CB 1.013 69.872 68.868 -0.015 0.000 1.002 153 T HN 0.584 nan 8.240 nan 0.000 0.532 154 T N -2.015 112.525 114.554 -0.023 0.000 2.951 154 T HA -0.063 4.274 4.350 -0.021 0.000 0.268 154 T C 1.628 176.315 174.700 -0.022 0.000 1.073 154 T CA 1.137 63.221 62.100 -0.026 0.000 1.134 154 T CB -0.528 68.323 68.868 -0.028 0.000 0.884 154 T HN 0.806 nan 8.240 nan 0.000 0.479 155 E N 1.237 121.427 120.200 -0.017 0.000 2.085 155 E HA -0.224 4.114 4.350 -0.021 0.000 0.194 155 E C 1.605 178.196 176.600 -0.015 0.000 0.994 155 E CA 1.479 57.872 56.400 -0.012 0.000 0.801 155 E CB -0.164 29.530 29.700 -0.009 0.000 0.743 155 E HN 0.430 nan 8.360 nan 0.000 0.453 156 D N 0.225 120.614 120.400 -0.018 0.000 2.117 156 D HA -0.168 4.459 4.640 -0.021 0.000 0.197 156 D C 2.100 178.380 176.300 -0.034 0.000 0.987 156 D CA 0.916 54.904 54.000 -0.021 0.000 0.829 156 D CB -0.182 40.606 40.800 -0.020 0.000 0.961 156 D HN 0.269 nan 8.370 nan 0.000 0.460 157 Q N 0.150 119.925 119.800 -0.043 0.000 2.084 157 Q HA -0.082 4.246 4.340 -0.021 0.000 0.202 157 Q C 2.219 178.176 176.000 -0.071 0.000 0.978 157 Q CA 1.122 56.885 55.803 -0.068 0.000 0.844 157 Q CB -1.088 27.608 28.738 -0.071 0.000 0.898 157 Q HN 0.287 nan 8.270 nan 0.000 0.426 158 T N 1.695 116.226 114.554 -0.038 0.000 2.746 158 T HA -0.188 4.149 4.350 -0.021 0.000 0.267 158 T C 1.873 176.555 174.700 -0.029 0.000 1.039 158 T CA 1.624 63.713 62.100 -0.018 0.000 1.142 158 T CB -0.165 68.707 68.868 0.007 0.000 0.866 158 T HN 0.212 nan 8.240 nan 0.000 0.444 159 Q N 1.361 121.144 119.800 -0.028 0.000 2.084 159 Q HA -0.078 4.250 4.340 -0.021 0.000 0.202 159 Q C 2.257 178.234 176.000 -0.039 0.000 0.978 159 Q CA 1.498 57.284 55.803 -0.028 0.000 0.844 159 Q CB -0.261 28.470 28.738 -0.011 0.000 0.898 159 Q HN 0.127 nan 8.270 nan 0.000 0.426 160 K N 0.297 120.668 120.400 -0.048 0.000 2.057 160 K HA -0.097 4.211 4.320 -0.021 0.000 0.207 160 K C 2.000 178.553 176.600 -0.078 0.000 1.049 160 K CA 1.375 57.628 56.287 -0.057 0.000 0.931 160 K CB -0.070 32.383 32.500 -0.077 0.000 0.714 160 K HN 0.296 nan 8.250 nan 0.000 0.440 161 R N -0.144 120.296 120.500 -0.101 0.000 2.092 161 R HA -0.020 4.308 4.340 -0.021 0.000 0.231 161 R C 2.417 178.671 176.300 -0.076 0.000 1.119 161 R CA 0.833 56.873 56.100 -0.100 0.000 0.970 161 R CB -0.219 30.023 30.300 -0.097 0.000 0.864 161 R HN 0.151 nan 8.270 nan 0.000 0.440 162 R N 1.011 121.457 120.500 -0.091 0.000 2.152 162 R HA -0.124 4.203 4.340 -0.021 0.000 0.232 162 R C 1.566 177.687 176.300 -0.298 0.000 1.117 162 R CA 1.208 57.205 56.100 -0.170 0.000 0.981 162 R CB -0.010 30.189 30.300 -0.168 0.000 0.870 162 R HN 0.370 nan 8.270 nan 0.000 0.451 163 E N 0.198 120.291 120.200 -0.177 0.000 2.481 163 E HA -0.085 4.253 4.350 -0.021 0.000 0.195 163 E C -0.190 176.396 176.600 -0.024 0.000 1.047 163 E CA 0.021 56.354 56.400 -0.111 0.000 0.867 163 E CB 0.126 29.877 29.700 0.086 0.000 0.858 163 E HN 0.112 nan 8.360 nan 0.000 0.513 164 D N 0.589 120.973 120.400 -0.026 0.000 2.508 164 D HA 0.044 4.672 4.640 -0.021 0.000 0.224 164 D C -1.489 174.842 176.300 0.051 0.000 1.171 164 D CA 0.105 54.118 54.000 0.022 0.000 1.006 164 D CB -0.410 40.411 40.800 0.036 0.000 1.073 164 D HN 0.006 nan 8.370 nan 0.000 0.513 165 Y N 2.970 123.189 120.300 -0.135 0.000 2.521 165 Y HA 0.339 4.876 4.550 -0.020 0.000 0.326 165 Y C -1.830 174.105 175.900 0.059 0.000 1.176 165 Y CA -0.982 57.063 58.100 -0.091 0.000 1.079 165 Y CB 0.912 39.267 38.460 -0.175 0.000 1.341 165 Y HN 0.238 nan 8.280 nan 0.000 0.456 166 Y N 3.228 123.428 120.300 -0.167 0.000 2.655 166 Y HA 0.722 5.261 4.550 -0.019 0.000 0.336 166 Y C -1.356 174.531 175.900 -0.021 0.000 1.154 166 Y CA -1.757 56.388 58.100 0.075 0.000 1.055 166 Y CB 2.362 40.886 38.460 0.106 0.000 1.295 166 Y HN 0.627 nan 8.280 nan 0.000 0.465 167 M N 3.520 123.366 119.600 0.410 0.000 2.067 167 M HA 0.423 4.890 4.480 -0.021 0.000 0.214 167 M C -3.151 173.271 176.300 0.204 0.000 0.891 167 M CA -1.776 53.687 55.300 0.273 0.000 0.697 167 M CB 1.113 33.934 32.600 0.368 0.000 1.616 167 M HN 0.291 nan 8.290 nan 0.000 0.354 168 P HA 0.058 nan 4.420 nan 0.000 0.268 168 P C -1.230 176.087 177.300 0.029 0.000 1.204 168 P CA 0.078 63.139 63.100 -0.064 0.000 0.768 168 P CB 0.434 31.960 31.700 -0.290 0.000 0.842 169 R N 3.836 124.317 120.500 -0.031 0.000 2.297 169 R HA 0.377 4.705 4.340 -0.021 0.000 0.308 169 R C -0.377 175.799 176.300 -0.207 0.000 1.029 169 R CA -0.540 55.351 56.100 -0.348 0.000 0.929 169 R CB 0.160 30.338 30.300 -0.203 0.000 1.046 169 R HN 0.479 nan 8.270 nan 0.000 0.461 170 L N 3.013 124.093 121.223 -0.238 0.000 2.416 170 L HA 0.162 4.489 4.340 -0.021 0.000 0.262 170 L C 1.366 178.247 176.870 0.018 0.000 1.093 170 L CA -0.678 54.134 54.840 -0.046 0.000 0.801 170 L CB 1.174 43.211 42.059 -0.038 0.000 1.191 170 L HN 0.798 nan 8.230 nan 0.000 0.459 171 D N -0.442 120.031 120.400 0.122 0.000 2.224 171 D HA -0.054 4.574 4.640 -0.021 0.000 0.205 171 D C 0.195 176.547 176.300 0.087 0.000 0.965 171 D CA 1.159 55.228 54.000 0.116 0.000 0.852 171 D CB 0.290 41.195 40.800 0.175 0.000 0.947 171 D HN 0.158 nan 8.370 nan 0.000 0.494 172 K N -0.206 120.294 120.400 0.166 0.000 2.477 172 K HA 0.272 4.580 4.320 -0.021 0.000 0.255 172 K C -0.684 176.073 176.600 0.262 0.000 0.952 172 K CA -0.919 55.454 56.287 0.144 0.000 0.826 172 K CB 1.522 34.142 32.500 0.200 0.000 1.331 172 K HN -0.132 nan 8.250 nan 0.000 0.437 173 F N 1.067 121.057 119.950 0.066 0.000 2.608 173 F HA 0.014 4.529 4.527 -0.021 0.000 0.380 173 F C 0.999 176.789 175.800 -0.016 0.000 1.083 173 F CA -0.703 57.291 58.000 -0.010 0.000 1.266 173 F CB -0.203 38.789 39.000 -0.013 0.000 1.076 173 F HN -0.014 nan 8.300 nan 0.000 0.574 174 V N 3.985 123.841 119.914 -0.096 0.000 2.508 174 V HA 0.103 4.210 4.120 -0.021 0.000 0.281 174 V C 0.939 176.992 176.094 -0.068 0.000 1.041 174 V CA 0.449 62.532 62.300 -0.360 0.000 1.016 174 V CB 0.901 32.218 31.823 -0.845 0.000 0.984 174 V HN 0.988 nan 8.190 nan 0.000 0.478 175 T N 0.339 114.948 114.554 0.092 0.000 2.990 175 T HA 0.087 4.425 4.350 -0.021 0.000 0.249 175 T C 1.228 175.989 174.700 0.101 0.000 1.039 175 T CA -0.038 62.120 62.100 0.097 0.000 1.036 175 T CB 0.113 69.056 68.868 0.125 0.000 0.994 175 T HN 0.532 nan 8.240 nan 0.000 0.489 176 E N 0.953 121.239 120.200 0.144 0.000 2.268 176 E HA 0.247 4.585 4.350 -0.021 0.000 0.195 176 E C 0.372 177.124 176.600 0.253 0.000 0.995 176 E CA 0.282 56.828 56.400 0.244 0.000 0.836 176 E CB 0.287 30.153 29.700 0.276 0.000 0.763 176 E HN 0.408 nan 8.360 nan 0.000 0.491 177 V N -0.712 119.260 119.914 0.097 0.000 3.048 177 V HA 0.621 4.729 4.120 -0.021 0.000 0.303 177 V C -1.536 174.547 176.094 -0.019 0.000 1.214 177 V CA -0.942 61.409 62.300 0.085 0.000 0.984 177 V CB 1.889 33.774 31.823 0.104 0.000 1.054 177 V HN 0.046 nan 8.190 nan 0.000 0.430 178 A N 6.943 129.759 122.820 -0.005 0.000 2.440 178 A HA 0.711 5.019 4.320 -0.021 0.000 0.251 178 A C -2.513 175.038 177.584 -0.055 0.000 1.089 178 A CA -0.929 51.087 52.037 -0.035 0.000 0.779 178 A CB -0.136 18.855 19.000 -0.016 0.000 1.022 178 A HN 0.702 nan 8.150 nan 0.000 0.492 179 P HA 0.158 nan 4.420 nan 0.000 0.269 179 P C -0.138 177.145 177.300 -0.028 0.000 1.209 179 P CA -0.043 63.008 63.100 -0.080 0.000 0.776 179 P CB 0.463 32.111 31.700 -0.086 0.000 0.876 180 I N 1.000 121.572 120.570 0.003 0.000 2.532 180 I HA 0.127 4.284 4.170 -0.021 0.000 0.292 180 I C 0.738 176.881 176.117 0.042 0.000 1.014 180 I CA -0.720 60.615 61.300 0.058 0.000 1.340 180 I CB 0.697 38.794 38.000 0.161 0.000 1.422 180 I HN 0.353 nan 8.210 nan 0.000 0.528 181 E N 5.469 125.699 120.200 0.050 0.000 2.414 181 E HA 0.300 4.638 4.350 -0.021 0.000 0.263 181 E C -0.849 175.772 176.600 0.036 0.000 1.000 181 E CA -0.397 56.017 56.400 0.024 0.000 0.914 181 E CB 0.841 30.559 29.700 0.029 0.000 0.948 181 E HN 0.660 nan 8.360 nan 0.000 0.444 182 A N 3.576 126.342 122.820 -0.090 0.000 2.312 182 A HA 0.294 4.601 4.320 -0.021 0.000 0.328 182 A C -0.185 177.357 177.584 -0.069 0.000 1.158 182 A CA -0.531 51.389 52.037 -0.196 0.000 0.821 182 A CB 1.595 19.985 19.000 -1.017 0.000 1.170 182 A HN 0.564 nan 8.150 nan 0.000 0.490 183 S N 0.249 115.968 115.700 0.032 0.000 2.533 183 S HA 0.321 4.779 4.470 -0.021 0.000 0.282 183 S C 1.084 175.836 174.600 0.253 0.000 1.304 183 S CA 0.468 58.755 58.200 0.145 0.000 1.063 183 S CB 0.042 63.334 63.200 0.154 0.000 0.881 183 S HN 1.203 nan 8.310 nan 0.000 0.493 184 T N 2.010 116.703 114.554 0.233 0.000 3.200 184 T HA 0.572 4.909 4.350 -0.021 0.000 0.284 184 T C 0.436 175.248 174.700 0.187 0.000 1.009 184 T CA -0.009 62.239 62.100 0.246 0.000 0.907 184 T CB 0.080 69.077 68.868 0.216 0.000 1.120 184 T HN 0.684 nan 8.240 nan 0.000 0.534 185 A N 1.492 124.431 122.820 0.198 0.000 2.409 185 A HA 0.588 4.896 4.320 -0.021 0.000 0.246 185 A C 0.804 178.451 177.584 0.106 0.000 1.099 185 A CA -0.276 51.840 52.037 0.132 0.000 0.789 185 A CB -0.155 18.910 19.000 0.107 0.000 1.053 185 A HN 0.520 nan 8.150 nan 0.000 0.503 186 S N -0.460 115.262 115.700 0.037 0.000 2.552 186 S HA 0.163 4.621 4.470 -0.021 0.000 0.289 186 S C 1.339 175.996 174.600 0.095 0.000 1.304 186 S CA 0.126 58.354 58.200 0.046 0.000 1.063 186 S CB 0.082 63.287 63.200 0.007 0.000 0.848 186 S HN 1.406 nan 8.310 nan 0.000 0.499 187 S N 2.806 118.598 115.700 0.152 0.000 2.593 187 S HA 0.137 4.595 4.470 -0.021 0.000 0.217 187 S C -0.019 174.739 174.600 0.263 0.000 0.966 187 S CA -0.494 57.863 58.200 0.261 0.000 0.914 187 S CB -0.231 63.075 63.200 0.176 0.000 0.776 187 S HN 0.714 nan 8.310 nan 0.000 0.523 188 D N 3.127 123.591 120.400 0.107 0.000 2.423 188 D HA 0.434 5.062 4.640 -0.021 0.000 0.238 188 D C 0.512 176.691 176.300 -0.201 0.000 1.142 188 D CA 0.344 54.345 54.000 0.003 0.000 0.884 188 D CB 0.639 41.422 40.800 -0.028 0.000 1.199 188 D HN 0.448 nan 8.370 nan 0.000 0.438 189 A N 1.019 123.680 122.820 -0.266 0.000 2.603 189 A HA 0.378 4.685 4.320 -0.021 0.000 0.235 189 A C 1.558 178.806 177.584 -0.560 0.000 1.035 189 A CA 0.870 52.583 52.037 -0.540 0.000 0.755 189 A CB -0.382 18.501 19.000 -0.196 0.000 0.954 189 A HN 0.913 nan 8.150 nan 0.000 0.511 190 G N 1.503 109.868 108.800 -0.725 0.000 2.284 190 G HA2 -0.300 3.648 3.960 -0.021 0.000 0.230 190 G HA3 -0.300 3.648 3.960 -0.021 0.000 0.230 190 G C 1.219 176.042 174.900 -0.127 0.000 1.021 190 G CA 1.028 45.970 45.100 -0.262 0.000 0.619 190 G HN 1.158 nan 8.290 nan 0.000 0.510 191 T N 0.247 114.685 114.554 -0.193 0.000 2.635 191 T HA -0.172 4.165 4.350 -0.021 0.000 0.267 191 T C 1.789 176.445 174.700 -0.073 0.000 1.040 191 T CA 2.076 64.100 62.100 -0.126 0.000 1.156 191 T CB -0.292 68.392 68.868 -0.307 0.000 0.863 191 T HN 0.486 nan 8.240 nan 0.000 0.430 192 Y N 1.303 121.832 120.300 0.383 0.000 2.490 192 Y HA 0.216 4.752 4.550 -0.023 0.000 0.281 192 Y C 1.976 178.078 175.900 0.337 0.000 1.174 192 Y CA -0.383 57.843 58.100 0.210 0.000 1.295 192 Y CB -0.374 38.116 38.460 0.049 0.000 1.062 192 Y HN 0.153 nan 8.280 nan 0.000 0.522 193 N N -0.124 118.781 118.700 0.343 0.000 2.494 193 N HA -0.108 4.620 4.740 -0.021 0.000 0.182 193 N C 0.021 175.688 175.510 0.261 0.000 1.076 193 N CA 0.635 53.842 53.050 0.261 0.000 0.908 193 N CB -0.083 38.497 38.487 0.154 0.000 0.967 193 N HN 0.255 nan 8.380 nan 0.000 0.449 194 D N 1.100 121.677 120.400 0.296 0.000 2.374 194 D HA -0.011 4.617 4.640 -0.021 0.000 0.240 194 D C 0.837 177.275 176.300 0.231 0.000 1.229 194 D CA 0.029 54.157 54.000 0.213 0.000 0.895 194 D CB 0.738 41.631 40.800 0.155 0.000 1.046 194 D HN 0.136 nan 8.370 nan 0.000 0.498 195 Q N 3.447 123.355 119.800 0.180 0.000 2.297 195 Q HA -0.100 4.228 4.340 -0.021 0.000 0.204 195 Q C 0.984 177.026 176.000 0.071 0.000 0.962 195 Q CA 0.701 56.604 55.803 0.167 0.000 0.879 195 Q CB 0.301 29.134 28.738 0.158 0.000 0.947 195 Q HN 0.435 nan 8.270 nan 0.000 0.462 196 N N 0.575 119.290 118.700 0.024 0.000 2.142 196 N HA -0.124 4.604 4.740 -0.021 0.000 0.186 196 N C 1.277 176.716 175.510 -0.119 0.000 1.023 196 N CA 1.196 54.226 53.050 -0.033 0.000 0.852 196 N CB 0.020 38.487 38.487 -0.033 0.000 0.998 196 N HN 0.265 nan 8.380 nan 0.000 0.424 197 K N -0.310 119.956 120.400 -0.222 0.000 2.116 197 K HA -0.015 4.292 4.320 -0.021 0.000 0.203 197 K C -0.080 176.080 176.600 -0.734 0.000 1.052 197 K CA 0.815 56.763 56.287 -0.565 0.000 0.952 197 K CB 0.155 32.131 32.500 -0.875 0.000 0.729 197 K HN 0.174 nan 8.250 nan 0.000 0.446 198 Y N 0.487 120.784 120.300 -0.005 0.000 2.662 198 Y HA 0.209 4.746 4.550 -0.020 0.000 0.358 198 Y C -2.095 173.732 175.900 -0.122 0.000 1.041 198 Y CA -2.541 55.513 58.100 -0.077 0.000 1.184 198 Y CB 1.099 39.591 38.460 0.054 0.000 1.114 198 Y HN 0.003 nan 8.280 nan 0.000 0.650 199 P HA 0.188 nan 4.420 nan 0.000 0.240 199 P C 0.088 177.385 177.300 -0.004 0.000 1.190 199 P CA 0.659 63.770 63.100 0.018 0.000 0.781 199 P CB 0.954 32.654 31.700 0.001 0.000 0.931 200 A N -0.694 122.035 122.820 -0.152 0.000 2.594 200 A HA 0.694 5.002 4.320 -0.021 0.000 0.295 200 A C -1.661 175.803 177.584 -0.201 0.000 1.071 200 A CA -0.458 51.558 52.037 -0.035 0.000 0.685 200 A CB 0.850 19.886 19.000 0.059 0.000 1.285 200 A HN -0.091 nan 8.150 nan 0.000 0.405 201 F N 0.206 120.374 119.950 0.363 0.000 2.576 201 F HA 0.698 5.215 4.527 -0.018 0.000 0.313 201 F C 0.223 176.180 175.800 0.260 0.000 1.078 201 F CA -0.595 57.605 58.000 0.333 0.000 0.921 201 F CB 2.641 41.676 39.000 0.058 0.000 1.232 201 F HN 0.661 nan 8.300 nan 0.000 0.459 202 V N 0.362 120.494 119.914 0.363 0.000 3.130 202 V HA 0.989 5.096 4.120 -0.021 0.000 0.310 202 V C -1.235 174.979 176.094 0.201 0.000 1.158 202 V CA -1.061 61.365 62.300 0.209 0.000 1.029 202 V CB 2.282 34.150 31.823 0.076 0.000 1.057 202 V HN 0.909 nan 8.190 nan 0.000 0.436 203 R N 1.774 122.396 120.500 0.203 0.000 2.781 203 R HA 0.947 5.274 4.340 -0.021 0.000 0.269 203 R C -1.639 174.690 176.300 0.048 0.000 1.025 203 R CA -0.832 55.339 56.100 0.119 0.000 0.914 203 R CB 1.480 31.721 30.300 -0.099 0.000 1.236 203 R HN 1.206 nan 8.270 nan 0.000 0.465 204 L N -0.571 120.620 121.223 -0.054 0.000 2.482 204 L HA 0.950 5.278 4.340 -0.021 0.000 0.263 204 L C -0.985 175.789 176.870 -0.160 0.000 0.957 204 L CA 0.265 54.925 54.840 -0.301 0.000 0.836 204 L CB 2.372 43.982 42.059 -0.748 0.000 1.324 204 L HN 1.062 nan 8.230 nan 0.000 0.406 205 G N 0.810 109.501 108.800 -0.182 0.000 2.600 205 G HA2 0.470 4.418 3.960 -0.021 0.000 0.293 205 G HA3 0.470 4.418 3.960 -0.021 0.000 0.293 205 G C -1.275 173.519 174.900 -0.176 0.000 1.408 205 G CA 0.096 45.103 45.100 -0.154 0.000 0.782 205 G HN 0.655 nan 8.290 nan 0.000 0.482 206 S N -0.840 114.752 115.700 -0.181 0.000 2.941 206 S HA 0.460 4.917 4.470 -0.021 0.000 0.251 206 S C 0.937 175.302 174.600 -0.393 0.000 1.029 206 S CA 0.506 58.557 58.200 -0.248 0.000 1.062 206 S CB -0.717 62.403 63.200 -0.133 0.000 0.977 206 S HN 1.174 nan 8.310 nan 0.000 0.552 207 G N 0.872 109.450 108.800 -0.371 0.000 2.653 207 G HA2 0.355 4.302 3.960 -0.021 0.000 0.265 207 G HA3 0.355 4.302 3.960 -0.021 0.000 0.265 207 G C -0.158 174.505 174.900 -0.394 0.000 1.237 207 G CA -0.386 44.459 45.100 -0.425 0.000 0.946 207 G HN 0.444 nan 8.290 nan 0.000 0.522 208 S N 0.478 115.992 115.700 -0.311 0.000 2.593 208 S HA 0.059 4.516 4.470 -0.021 0.000 0.300 208 S C 0.092 174.483 174.600 -0.347 0.000 1.267 208 S CA 0.262 58.271 58.200 -0.318 0.000 1.065 208 S CB 0.378 63.509 63.200 -0.115 0.000 0.807 208 S HN 0.447 nan 8.310 nan 0.000 0.499 209 Q N 2.291 121.765 119.800 -0.543 0.000 2.322 209 Q HA 0.565 4.893 4.340 -0.021 0.000 0.265 209 Q C -0.980 174.735 176.000 -0.476 0.000 0.985 209 Q CA -0.053 55.562 55.803 -0.315 0.000 0.849 209 Q CB 1.343 29.968 28.738 -0.188 0.000 1.274 209 Q HN 0.566 nan 8.270 nan 0.000 0.449 210 F N 1.667 121.582 119.950 -0.058 0.000 2.603 210 F HA 0.603 5.119 4.527 -0.019 0.000 0.317 210 F C 0.335 176.116 175.800 -0.032 0.000 1.066 210 F CA -1.222 56.725 58.000 -0.089 0.000 0.941 210 F CB 1.618 40.557 39.000 -0.102 0.000 1.291 210 F HN 0.383 nan 8.300 nan 0.000 0.472 211 I N -0.873 119.790 120.570 0.155 0.000 2.846 211 I HA 0.528 4.685 4.170 -0.021 0.000 0.307 211 I C -1.227 174.990 176.117 0.166 0.000 1.053 211 I CA -1.245 60.129 61.300 0.124 0.000 1.050 211 I CB 1.909 39.918 38.000 0.016 0.000 1.239 211 I HN 0.584 nan 8.210 nan 0.000 0.439 212 Y N 3.800 124.139 120.300 0.065 0.000 2.712 212 Y HA 0.246 4.783 4.550 -0.021 0.000 0.333 212 Y C -0.263 175.665 175.900 0.047 0.000 1.225 212 Y CA 0.417 58.551 58.100 0.058 0.000 1.499 212 Y CB 0.445 38.942 38.460 0.061 0.000 1.288 212 Y HN 0.560 nan 8.280 nan 0.000 0.575 213 K N 7.114 127.130 120.400 -0.640 0.000 2.761 213 K HA 0.100 4.408 4.320 -0.021 0.000 0.257 213 K C -1.189 175.038 176.600 -0.622 0.000 1.053 213 K CA -0.691 55.282 56.287 -0.524 0.000 1.035 213 K CB 1.076 33.456 32.500 -0.199 0.000 1.267 213 K HN 0.817 nan 8.250 nan 0.000 0.505 214 K N 0.605 120.552 120.400 -0.756 0.000 2.491 214 K HA 0.004 4.312 4.320 -0.021 0.000 0.279 214 K C 0.863 177.351 176.600 -0.186 0.000 1.026 214 K CA 1.979 58.023 56.287 -0.405 0.000 1.070 214 K CB 0.130 32.545 32.500 -0.141 0.000 0.887 214 K HN 0.833 nan 8.250 nan 0.000 0.481 215 G N 3.285 112.016 108.800 -0.115 0.000 2.225 215 G HA2 -0.238 3.709 3.960 -0.021 0.000 0.254 215 G HA3 -0.238 3.709 3.960 -0.021 0.000 0.254 215 G C -0.330 174.542 174.900 -0.047 0.000 0.988 215 G CA 0.236 45.301 45.100 -0.057 0.000 0.625 215 G HN 0.710 nan 8.290 nan 0.000 0.527 216 D N 1.071 121.430 120.400 -0.068 0.000 2.325 216 D HA 0.341 4.968 4.640 -0.021 0.000 0.251 216 D C 0.323 176.629 176.300 0.010 0.000 1.196 216 D CA -0.201 53.782 54.000 -0.028 0.000 0.866 216 D CB 0.405 41.184 40.800 -0.036 0.000 1.101 216 D HN 0.340 nan 8.370 nan 0.000 0.476 217 N N 3.162 121.879 118.700 0.028 0.000 2.472 217 N HA 0.034 4.762 4.740 -0.021 0.000 0.277 217 N C -1.223 174.351 175.510 0.106 0.000 1.081 217 N CA -0.353 52.725 53.050 0.047 0.000 0.973 217 N CB 0.624 39.122 38.487 0.019 0.000 1.105 217 N HN 0.343 nan 8.380 nan 0.000 0.470 218 Y N 3.051 123.337 120.300 -0.025 0.000 2.342 218 Y HA 0.262 4.799 4.550 -0.022 0.000 0.338 218 Y C -0.458 175.425 175.900 -0.027 0.000 0.965 218 Y CA -0.670 57.418 58.100 -0.020 0.000 1.159 218 Y CB 0.892 39.323 38.460 -0.049 0.000 1.157 218 Y HN 0.350 nan 8.280 nan 0.000 0.486 219 S N 6.980 122.409 115.700 -0.451 0.000 2.480 219 S HA 0.708 5.165 4.470 -0.021 0.000 0.286 219 S C -1.612 172.593 174.600 -0.658 0.000 1.180 219 S CA -0.585 57.360 58.200 -0.425 0.000 1.075 219 S CB 0.417 63.499 63.200 -0.197 0.000 0.996 219 S HN 0.722 nan 8.310 nan 0.000 0.487 220 L N 6.276 127.231 121.223 -0.446 0.000 2.516 220 L HA 0.608 4.935 4.340 -0.021 0.000 0.267 220 L C -1.740 175.092 176.870 -0.062 0.000 0.957 220 L CA -0.480 54.201 54.840 -0.265 0.000 0.860 220 L CB 1.676 43.613 42.059 -0.203 0.000 1.265 220 L HN 0.534 nan 8.230 nan 0.000 0.403 221 I N 6.385 126.940 120.570 -0.026 0.000 2.312 221 I HA 0.429 4.587 4.170 -0.021 0.000 0.290 221 I C -0.498 175.646 176.117 0.045 0.000 1.008 221 I CA -0.332 60.973 61.300 0.008 0.000 1.226 221 I CB 1.043 39.032 38.000 -0.017 0.000 1.371 221 I HN 0.550 nan 8.210 nan 0.000 0.468 222 L N 6.525 127.795 121.223 0.078 0.000 2.386 222 L HA 0.464 4.791 4.340 -0.021 0.000 0.271 222 L C 0.174 177.096 176.870 0.086 0.000 0.993 222 L CA -0.805 54.091 54.840 0.093 0.000 0.819 222 L CB 1.580 43.722 42.059 0.140 0.000 1.294 222 L HN 0.528 nan 8.230 nan 0.000 0.414 223 N N 2.729 121.465 118.700 0.061 0.000 2.716 223 N HA -0.258 4.470 4.740 -0.021 0.000 0.250 223 N C 0.082 175.578 175.510 -0.023 0.000 1.033 223 N CA 1.315 54.396 53.050 0.052 0.000 0.727 223 N CB -1.107 37.443 38.487 0.105 0.000 0.950 223 N HN 0.913 nan 8.380 nan 0.000 0.541 224 N N -2.387 116.248 118.700 -0.108 0.000 2.828 224 N HA -0.219 4.509 4.740 -0.021 0.000 0.248 224 N C -0.884 174.306 175.510 -0.534 0.000 1.044 224 N CA 1.569 54.444 53.050 -0.292 0.000 0.851 224 N CB -0.804 37.470 38.487 -0.354 0.000 1.136 224 N HN 0.650 nan 8.380 nan 0.000 0.572 225 H N -0.351 118.730 119.070 0.018 0.000 2.821 225 H HA 0.360 4.905 4.556 -0.019 0.000 0.373 225 H C -0.225 175.112 175.328 0.015 0.000 1.165 225 H CA -0.833 55.223 56.048 0.014 0.000 1.154 225 H CB 1.500 31.271 29.762 0.015 0.000 1.765 225 H HN 0.039 nan 8.280 nan 0.000 0.549 226 E N 1.658 121.936 120.200 0.130 0.000 2.415 226 E HA 0.083 4.421 4.350 -0.021 0.000 0.260 226 E C 0.347 177.001 176.600 0.089 0.000 1.016 226 E CA -0.015 56.426 56.400 0.069 0.000 0.924 226 E CB 0.278 30.001 29.700 0.039 0.000 0.961 226 E HN 0.477 nan 8.360 nan 0.000 0.459 227 V N 2.420 122.394 119.914 0.100 0.000 3.159 227 V HA 0.548 4.656 4.120 -0.021 0.000 0.333 227 V C 0.784 177.027 176.094 0.249 0.000 1.424 227 V CA 0.173 62.565 62.300 0.154 0.000 1.125 227 V CB 0.189 32.128 31.823 0.193 0.000 1.075 227 V HN 0.487 nan 8.190 nan 0.000 0.482 228 G N 0.373 109.248 108.800 0.125 0.000 2.546 228 G HA2 0.728 4.676 3.960 -0.021 0.000 0.239 228 G HA3 0.728 4.676 3.960 -0.021 0.000 0.239 228 G C 0.167 175.173 174.900 0.177 0.000 1.476 228 G CA -0.073 45.097 45.100 0.117 0.000 1.064 228 G HN 1.228 nan 8.290 nan 0.000 0.561 229 G N -1.509 107.375 108.800 0.140 0.000 2.495 229 G HA2 0.407 4.355 3.960 -0.021 0.000 0.294 229 G HA3 0.407 4.355 3.960 -0.021 0.000 0.294 229 G C -1.676 173.275 174.900 0.085 0.000 1.397 229 G CA -0.606 44.564 45.100 0.118 0.000 0.790 229 G HN 0.675 nan 8.290 nan 0.000 0.486 230 N N 0.155 118.892 118.700 0.062 0.000 2.472 230 N HA 0.379 5.107 4.740 -0.021 0.000 0.289 230 N C 0.516 176.046 175.510 0.033 0.000 1.156 230 N CA -0.154 52.920 53.050 0.041 0.000 0.940 230 N CB 0.664 39.169 38.487 0.030 0.000 1.200 230 N HN 0.540 nan 8.380 nan 0.000 0.511 231 N N -0.535 118.159 118.700 -0.010 0.000 2.818 231 N HA -0.173 4.554 4.740 -0.021 0.000 0.250 231 N C -1.147 174.308 175.510 -0.092 0.000 1.108 231 N CA 0.896 53.893 53.050 -0.088 0.000 0.745 231 N CB -1.879 36.616 38.487 0.014 0.000 1.104 231 N HN 0.625 nan 8.380 nan 0.000 0.557 232 L N -3.208 117.992 121.223 -0.037 0.000 2.434 232 L HA 0.718 5.045 4.340 -0.021 0.000 0.260 232 L C -0.523 176.390 176.870 0.072 0.000 0.983 232 L CA -0.935 53.902 54.840 -0.004 0.000 0.820 232 L CB 2.447 44.441 42.059 -0.109 0.000 1.361 232 L HN -0.028 nan 8.230 nan 0.000 0.410 233 K N 2.658 123.138 120.400 0.133 0.000 2.426 233 K HA 0.525 4.833 4.320 -0.021 0.000 0.254 233 K C -1.411 175.239 176.600 0.084 0.000 0.936 233 K CA -0.779 55.566 56.287 0.096 0.000 0.801 233 K CB 2.162 34.664 32.500 0.004 0.000 1.139 233 K HN 0.748 nan 8.250 nan 0.000 0.424 234 L N 6.176 127.357 121.223 -0.069 0.000 2.361 234 L HA 0.129 4.457 4.340 -0.021 0.000 0.278 234 L C 0.316 176.999 176.870 -0.311 0.000 1.113 234 L CA 0.379 54.911 54.840 -0.513 0.000 0.849 234 L CB 1.313 43.058 42.059 -0.522 0.000 1.155 234 L HN 0.636 nan 8.230 nan 0.000 0.452 235 V N 1.800 121.510 119.914 -0.339 0.000 3.645 235 V HA 0.682 4.789 4.120 -0.021 0.000 0.275 235 V C 0.585 176.612 176.094 -0.112 0.000 1.356 235 V CA 0.491 62.666 62.300 -0.207 0.000 1.051 235 V CB -0.155 31.511 31.823 -0.262 0.000 0.828 235 V HN 0.842 nan 8.190 nan 0.000 0.441 236 G N -0.397 108.295 108.800 -0.180 0.000 2.759 236 G HA2 0.534 4.481 3.960 -0.021 0.000 0.297 236 G HA3 0.534 4.481 3.960 -0.021 0.000 0.297 236 G C -1.992 172.737 174.900 -0.284 0.000 1.434 236 G CA -0.518 44.520 45.100 -0.104 0.000 0.980 236 G HN 0.014 nan 8.290 nan 0.000 0.531 237 D N 0.599 120.873 120.400 -0.211 0.000 2.339 237 D HA 0.494 5.122 4.640 -0.021 0.000 0.245 237 D C 1.037 177.143 176.300 -0.324 0.000 1.115 237 D CA 0.325 54.190 54.000 -0.225 0.000 0.917 237 D CB 1.678 42.410 40.800 -0.113 0.000 1.192 237 D HN 0.632 nan 8.370 nan 0.000 0.428 238 A N 1.398 124.000 122.820 -0.364 0.000 2.507 238 A HA 0.086 4.394 4.320 -0.021 0.000 0.235 238 A C -0.367 176.934 177.584 -0.472 0.000 1.070 238 A CA 0.004 51.676 52.037 -0.609 0.000 0.768 238 A CB -0.426 18.049 19.000 -0.874 0.000 1.011 238 A HN 0.661 nan 8.150 nan 0.000 0.502 239 Y N 0.223 120.422 120.300 -0.169 0.000 3.477 239 Y HA -0.221 4.316 4.550 -0.021 0.000 0.216 239 Y C 1.270 177.098 175.900 -0.121 0.000 1.296 239 Y CA 0.936 58.959 58.100 -0.128 0.000 1.535 239 Y CB -2.646 35.767 38.460 -0.080 0.000 1.482 239 Y HN 0.698 nan 8.280 nan 0.000 0.597 240 T N -2.517 111.972 114.554 -0.107 0.000 3.098 240 T HA 0.281 4.619 4.350 -0.021 0.000 0.246 240 T C -0.232 174.481 174.700 0.023 0.000 0.983 240 T CA 1.067 63.138 62.100 -0.047 0.000 1.094 240 T CB 0.602 69.438 68.868 -0.054 0.000 1.035 240 T HN 0.363 nan 8.240 nan 0.000 0.456 241 Y N -0.629 119.640 120.300 -0.052 0.000 2.638 241 Y HA 0.756 5.294 4.550 -0.020 0.000 0.335 241 Y C -0.318 175.534 175.900 -0.081 0.000 1.155 241 Y CA -2.291 55.771 58.100 -0.063 0.000 1.046 241 Y CB 0.547 38.977 38.460 -0.049 0.000 1.303 241 Y HN 0.056 nan 8.280 nan 0.000 0.460 242 G N 2.358 111.239 108.800 0.135 0.000 2.395 242 G HA2 0.589 4.536 3.960 -0.021 0.000 0.283 242 G HA3 0.589 4.536 3.960 -0.021 0.000 0.283 242 G C -1.182 173.751 174.900 0.056 0.000 1.178 242 G CA -0.606 44.492 45.100 -0.004 0.000 0.837 242 G HN 0.535 nan 8.290 nan 0.000 0.518 243 I N 0.920 121.461 120.570 -0.048 0.000 2.582 243 I HA 0.659 4.817 4.170 -0.021 0.000 0.292 243 I C 0.168 176.245 176.117 -0.066 0.000 1.066 243 I CA -0.759 60.520 61.300 -0.035 0.000 1.053 243 I CB 1.572 39.535 38.000 -0.060 0.000 1.241 243 I HN 0.647 nan 8.210 nan 0.000 0.421 244 A N 3.449 126.296 122.820 0.045 0.000 2.532 244 A HA 1.045 5.352 4.320 -0.021 0.000 0.290 244 A C -0.230 177.525 177.584 0.286 0.000 1.143 244 A CA 0.006 52.094 52.037 0.084 0.000 0.728 244 A CB 2.196 21.139 19.000 -0.096 0.000 1.317 244 A HN 1.041 nan 8.150 nan 0.000 0.414 245 G N -1.070 107.901 108.800 0.285 0.000 2.404 245 G HA2 0.579 4.527 3.960 -0.021 0.000 0.253 245 G HA3 0.579 4.527 3.960 -0.021 0.000 0.253 245 G C -0.539 174.414 174.900 0.088 0.000 1.253 245 G CA 0.455 45.577 45.100 0.036 0.000 0.917 245 G HN 1.855 nan 8.290 nan 0.000 0.480 246 T N 0.242 114.809 114.554 0.022 0.000 2.856 246 T HA 0.824 5.161 4.350 -0.021 0.000 0.283 246 T C -2.700 171.998 174.700 -0.003 0.000 1.008 246 T CA -1.483 60.641 62.100 0.040 0.000 0.997 246 T CB 2.957 71.868 68.868 0.071 0.000 0.992 246 T HN 0.529 nan 8.240 nan 0.000 0.454 247 P HA 0.283 nan 4.420 nan 0.000 0.293 247 P C -0.360 176.999 177.300 0.098 0.000 1.304 247 P CA -0.572 62.394 63.100 -0.224 0.000 0.767 247 P CB 0.548 31.718 31.700 -0.884 0.000 1.247 248 Y N -0.878 119.493 120.300 0.120 0.000 2.219 248 Y HA 0.141 4.678 4.550 -0.023 0.000 0.375 248 Y C 1.610 177.701 175.900 0.319 0.000 1.333 248 Y CA -0.740 57.482 58.100 0.202 0.000 1.799 248 Y CB -0.602 37.995 38.460 0.229 0.000 1.611 248 Y HN 0.281 nan 8.280 nan 0.000 0.635 249 K N 0.747 121.399 120.400 0.420 0.000 2.412 249 K HA 0.203 4.511 4.320 -0.021 0.000 0.281 249 K C -0.437 176.343 176.600 0.300 0.000 1.027 249 K CA -0.204 56.278 56.287 0.325 0.000 0.989 249 K CB 0.420 33.044 32.500 0.206 0.000 0.935 249 K HN 0.482 nan 8.250 nan 0.000 0.475 250 V N 4.417 124.450 119.914 0.198 0.000 2.720 250 V HA -0.067 4.041 4.120 -0.021 0.000 0.307 250 V C -0.261 175.745 176.094 -0.146 0.000 1.071 250 V CA 0.721 62.851 62.300 -0.283 0.000 1.199 250 V CB 0.345 32.009 31.823 -0.265 0.000 0.900 250 V HN 0.940 nan 8.190 nan 0.000 0.494 251 N N 4.232 122.770 118.700 -0.270 0.000 2.716 251 N HA 0.140 4.867 4.740 -0.021 0.000 0.245 251 N C -0.795 174.732 175.510 0.028 0.000 1.495 251 N CA -0.460 52.584 53.050 -0.010 0.000 0.759 251 N CB 0.080 38.652 38.487 0.141 0.000 1.261 251 N HN 0.797 nan 8.380 nan 0.000 0.515 252 H N 1.717 120.731 119.070 -0.093 0.000 3.092 252 H HA 0.166 4.710 4.556 -0.021 0.000 0.263 252 H C 0.938 176.284 175.328 0.031 0.000 1.611 252 H CA -0.014 56.014 56.048 -0.032 0.000 1.457 252 H CB 0.104 29.876 29.762 0.017 0.000 1.731 252 H HN 0.569 nan 8.280 nan 0.000 0.532 253 E N 1.729 122.052 120.200 0.204 0.000 2.460 253 E HA 0.038 4.376 4.350 -0.021 0.000 0.200 253 E C -0.432 176.222 176.600 0.090 0.000 1.011 253 E CA -0.253 56.206 56.400 0.098 0.000 0.912 253 E CB 0.529 30.289 29.700 0.100 0.000 0.953 253 E HN 0.393 nan 8.360 nan 0.000 0.494 254 N N 0.911 119.719 118.700 0.180 0.000 2.335 254 N HA 0.228 4.955 4.740 -0.021 0.000 0.304 254 N C -1.163 174.449 175.510 0.170 0.000 1.135 254 N CA -0.848 52.288 53.050 0.143 0.000 0.817 254 N CB 1.121 39.706 38.487 0.164 0.000 1.294 254 N HN -0.022 nan 8.380 nan 0.000 0.497 255 N N 0.610 119.369 118.700 0.098 0.000 2.497 255 N HA 0.171 4.898 4.740 -0.021 0.000 0.268 255 N C 1.161 176.740 175.510 0.115 0.000 1.171 255 N CA 0.693 53.807 53.050 0.106 0.000 0.948 255 N CB 0.939 39.452 38.487 0.043 0.000 1.069 255 N HN 0.902 nan 8.380 nan 0.000 0.460 256 G N 0.751 109.637 108.800 0.145 0.000 2.184 256 G HA2 -0.259 3.689 3.960 -0.021 0.000 0.264 256 G HA3 -0.259 3.689 3.960 -0.021 0.000 0.264 256 G C -0.177 174.748 174.900 0.043 0.000 0.975 256 G CA 0.257 45.390 45.100 0.055 0.000 0.642 256 G HN 0.475 nan 8.290 nan 0.000 0.536 257 L N -0.210 121.074 121.223 0.101 0.000 2.370 257 L HA 0.810 5.137 4.340 -0.021 0.000 0.266 257 L C -0.198 176.693 176.870 0.035 0.000 1.002 257 L CA -1.166 53.722 54.840 0.081 0.000 0.818 257 L CB 2.457 44.590 42.059 0.124 0.000 1.325 257 L HN 0.135 nan 8.230 nan 0.000 0.418 258 I N 1.041 121.604 120.570 -0.011 0.000 2.439 258 I HA 0.619 4.777 4.170 -0.021 0.000 0.285 258 I C -0.074 176.030 176.117 -0.021 0.000 1.021 258 I CA -0.105 61.095 61.300 -0.166 0.000 1.091 258 I CB 1.437 39.192 38.000 -0.408 0.000 1.242 258 I HN 0.656 nan 8.210 nan 0.000 0.439 259 G N 5.851 114.607 108.800 -0.074 0.000 2.461 259 G HA2 0.671 4.618 3.960 -0.021 0.000 0.329 259 G HA3 0.671 4.618 3.960 -0.021 0.000 0.329 259 G C -1.554 173.158 174.900 -0.313 0.000 1.170 259 G CA -0.355 44.721 45.100 -0.039 0.000 0.935 259 G HN 0.459 nan 8.290 nan 0.000 0.492 260 F N -0.557 119.384 119.950 -0.015 0.000 2.581 260 F HA 0.656 5.172 4.527 -0.017 0.000 0.311 260 F C 0.669 176.660 175.800 0.318 0.000 1.113 260 F CA 0.317 58.398 58.000 0.135 0.000 0.935 260 F CB 2.266 41.334 39.000 0.115 0.000 1.232 260 F HN 1.172 nan 8.300 nan 0.000 0.445 261 G N 2.455 111.578 108.800 0.538 0.000 2.698 261 G HA2 -0.060 3.887 3.960 -0.021 0.000 0.225 261 G HA3 -0.060 3.887 3.960 -0.021 0.000 0.225 261 G C -1.628 173.581 174.900 0.515 0.000 1.345 261 G CA -0.772 44.638 45.100 0.517 0.000 0.871 261 G HN 0.933 nan 8.290 nan 0.000 0.540 262 N N -0.541 118.395 118.700 0.392 0.000 2.461 262 N HA 0.504 5.232 4.740 -0.021 0.000 0.284 262 N C 1.304 176.890 175.510 0.127 0.000 1.049 262 N CA 0.334 53.518 53.050 0.224 0.000 0.889 262 N CB 1.771 40.336 38.487 0.129 0.000 1.365 262 N HN 1.158 nan 8.380 nan 0.000 0.499 263 S N 3.194 118.797 115.700 -0.162 0.000 2.474 263 S HA -0.030 4.428 4.470 -0.021 0.000 0.235 263 S C 1.097 175.615 174.600 -0.137 0.000 0.997 263 S CA 0.648 58.709 58.200 -0.233 0.000 0.949 263 S CB -0.073 62.630 63.200 -0.827 0.000 0.766 263 S HN 0.578 nan 8.310 nan 0.000 0.517 264 K N 1.087 121.419 120.400 -0.115 0.000 2.366 264 K HA 0.143 4.450 4.320 -0.021 0.000 0.198 264 K C 0.418 176.989 176.600 -0.048 0.000 1.044 264 K CA 0.417 56.654 56.287 -0.084 0.000 0.973 264 K CB 0.014 32.466 32.500 -0.081 0.000 0.767 264 K HN 0.614 nan 8.250 nan 0.000 0.475 265 E N 1.556 121.755 120.200 -0.002 0.000 2.373 265 E HA 0.058 4.395 4.350 -0.021 0.000 0.263 265 E C -0.347 176.232 176.600 -0.036 0.000 1.073 265 E CA 0.048 56.438 56.400 -0.016 0.000 0.894 265 E CB 0.744 30.500 29.700 0.092 0.000 1.008 265 E HN 0.035 nan 8.360 nan 0.000 0.420 266 E N 2.096 122.192 120.200 -0.173 0.000 2.155 266 E HA 0.206 4.544 4.350 -0.021 0.000 0.264 266 E C -0.637 175.777 176.600 -0.310 0.000 0.886 266 E CA -0.383 55.928 56.400 -0.147 0.000 0.752 266 E CB 1.111 30.738 29.700 -0.121 0.000 1.133 266 E HN 0.480 nan 8.360 nan 0.000 0.414 267 H N 1.752 120.784 119.070 -0.063 0.000 2.429 267 H HA 0.096 4.638 4.556 -0.022 0.000 0.237 267 H C 1.226 176.530 175.328 -0.040 0.000 1.378 267 H CA -0.164 55.843 56.048 -0.067 0.000 1.170 267 H CB 0.859 30.551 29.762 -0.118 0.000 1.671 267 H HN 0.436 nan 8.280 nan 0.000 0.541 268 S N 0.608 116.325 115.700 0.029 0.000 2.374 268 S HA -0.160 4.298 4.470 -0.021 0.000 0.227 268 S C 0.939 175.592 174.600 0.088 0.000 1.037 268 S CA 1.172 59.398 58.200 0.044 0.000 1.024 268 S CB 0.029 63.240 63.200 0.019 0.000 0.861 268 S HN 0.505 nan 8.310 nan 0.000 0.456 269 D N 1.284 121.743 120.400 0.099 0.000 2.380 269 D HA 0.247 4.874 4.640 -0.021 0.000 0.230 269 D C -2.163 174.223 176.300 0.144 0.000 1.154 269 D CA -1.949 52.156 54.000 0.175 0.000 0.859 269 D CB 1.662 42.559 40.800 0.162 0.000 1.045 269 D HN 0.255 nan 8.370 nan 0.000 0.495 270 P HA 0.127 nan 4.420 nan 0.000 0.259 270 P C 0.941 178.141 177.300 -0.167 0.000 1.530 270 P CA -0.176 62.931 63.100 0.012 0.000 1.022 270 P CB 0.557 32.273 31.700 0.027 0.000 1.514 271 K N 1.156 121.347 120.400 -0.349 0.000 2.044 271 K HA -0.137 4.171 4.320 -0.021 0.000 0.210 271 K C 2.132 178.584 176.600 -0.246 0.000 1.049 271 K CA 2.110 58.054 56.287 -0.572 0.000 0.927 271 K CB -0.903 31.238 32.500 -0.598 0.000 0.713 271 K HN 0.100 nan 8.250 nan 0.000 0.443 272 G N 1.379 110.100 108.800 -0.131 0.000 2.433 272 G HA2 -0.276 3.672 3.960 -0.021 0.000 0.216 272 G HA3 -0.276 3.672 3.960 -0.021 0.000 0.216 272 G C 1.516 176.349 174.900 -0.112 0.000 1.186 272 G CA 0.943 45.997 45.100 -0.076 0.000 0.779 272 G HN 0.413 nan 8.290 nan 0.000 0.543 273 I N 0.261 120.711 120.570 -0.200 0.000 2.394 273 I HA 0.017 4.174 4.170 -0.021 0.000 0.251 273 I C 2.235 178.249 176.117 -0.171 0.000 1.136 273 I CA 0.620 61.697 61.300 -0.372 0.000 1.425 273 I CB 0.084 37.557 38.000 -0.878 0.000 1.079 273 I HN 0.093 nan 8.210 nan 0.000 0.425 274 L N 0.221 121.401 121.223 -0.071 0.000 2.551 274 L HA -0.036 4.291 4.340 -0.021 0.000 0.228 274 L C 1.718 178.626 176.870 0.064 0.000 1.153 274 L CA 0.801 55.678 54.840 0.063 0.000 0.851 274 L CB -0.397 41.685 42.059 0.039 0.000 0.959 274 L HN 0.359 nan 8.230 nan 0.000 0.451 275 S N -2.205 113.501 115.700 0.010 0.000 2.663 275 S HA 0.011 4.469 4.470 -0.021 0.000 0.243 275 S C 1.514 176.137 174.600 0.038 0.000 1.009 275 S CA -0.532 57.689 58.200 0.035 0.000 0.988 275 S CB 0.153 63.362 63.200 0.015 0.000 0.896 275 S HN 0.517 nan 8.310 nan 0.000 0.502 276 Q N 0.924 120.746 119.800 0.036 0.000 2.170 276 Q HA 0.016 4.344 4.340 -0.021 0.000 0.203 276 Q C -0.236 175.802 176.000 0.063 0.000 0.976 276 Q CA 1.037 56.867 55.803 0.044 0.000 0.858 276 Q CB -0.264 28.499 28.738 0.040 0.000 0.907 276 Q HN 0.469 nan 8.270 nan 0.000 0.433 277 D N -0.397 120.046 120.400 0.072 0.000 2.559 277 D HA 0.217 4.845 4.640 -0.021 0.000 0.250 277 D C -2.177 174.136 176.300 0.022 0.000 1.135 277 D CA -2.005 52.024 54.000 0.048 0.000 0.955 277 D CB 1.952 42.787 40.800 0.058 0.000 1.442 277 D HN -0.261 nan 8.370 nan 0.000 0.471 278 P HA -0.014 nan 4.420 nan 0.000 0.215 278 P C 0.632 177.853 177.300 -0.131 0.000 1.153 278 P CA 1.177 64.231 63.100 -0.077 0.000 0.853 278 P CB 0.403 32.028 31.700 -0.125 0.000 0.788 279 L N -1.397 119.704 121.223 -0.204 0.000 3.100 279 L HA 0.231 4.558 4.340 -0.021 0.000 0.259 279 L C 0.019 176.961 176.870 0.120 0.000 1.316 279 L CA -0.416 54.284 54.840 -0.233 0.000 0.992 279 L CB -0.302 41.300 42.059 -0.761 0.000 1.390 279 L HN -0.178 nan 8.230 nan 0.000 0.550 280 T N 0.807 115.470 114.554 0.182 0.000 2.934 280 T HA 0.075 4.413 4.350 -0.021 0.000 0.306 280 T C 0.199 175.033 174.700 0.224 0.000 1.042 280 T CA 0.403 62.622 62.100 0.199 0.000 1.145 280 T CB 0.424 69.428 68.868 0.227 0.000 0.982 280 T HN 0.224 nan 8.240 nan 0.000 0.544 281 N N 0.850 119.623 118.700 0.122 0.000 2.272 281 N HA 0.366 5.094 4.740 -0.021 0.000 0.305 281 N C -1.571 173.933 175.510 -0.010 0.000 1.103 281 N CA -0.683 52.395 53.050 0.047 0.000 0.791 281 N CB 1.199 39.674 38.487 -0.019 0.000 1.356 281 N HN 0.608 nan 8.380 nan 0.000 0.486 282 Y N 1.279 121.496 120.300 -0.138 0.000 2.356 282 Y HA 0.645 5.181 4.550 -0.023 0.000 0.334 282 Y C -0.401 175.383 175.900 -0.194 0.000 0.958 282 Y CA -1.329 56.634 58.100 -0.228 0.000 1.196 282 Y CB 0.359 38.809 38.460 -0.016 0.000 1.137 282 Y HN 0.632 nan 8.280 nan 0.000 0.485 283 A N 5.938 128.354 122.820 -0.674 0.000 2.401 283 A HA 0.621 4.929 4.320 -0.021 0.000 0.259 283 A C -0.255 176.782 177.584 -0.913 0.000 1.103 283 A CA 0.288 51.823 52.037 -0.836 0.000 0.789 283 A CB -0.066 18.076 19.000 -1.430 0.000 1.035 283 A HN 1.036 nan 8.150 nan 0.000 0.491 284 V N 1.069 120.535 119.914 -0.747 0.000 3.204 284 V HA 0.643 4.750 4.120 -0.021 0.000 0.308 284 V C 0.212 175.714 176.094 -0.985 0.000 1.324 284 V CA -1.212 60.451 62.300 -1.062 0.000 1.042 284 V CB 0.231 31.826 31.823 -0.380 0.000 1.167 284 V HN 0.748 nan 8.190 nan 0.000 0.478 285 L N 1.451 122.167 121.223 -0.844 0.000 2.525 285 L HA 0.445 4.773 4.340 -0.021 0.000 0.278 285 L C 1.604 178.331 176.870 -0.239 0.000 1.218 285 L CA 1.368 55.976 54.840 -0.387 0.000 0.878 285 L CB -0.017 42.043 42.059 0.002 0.000 1.127 285 L HN 1.294 nan 8.230 nan 0.000 0.492 286 G N 1.543 110.226 108.800 -0.196 0.000 2.241 286 G HA2 -0.252 3.696 3.960 -0.021 0.000 0.244 286 G HA3 -0.252 3.696 3.960 -0.021 0.000 0.244 286 G C 0.646 175.401 174.900 -0.241 0.000 0.998 286 G CA 0.187 45.124 45.100 -0.271 0.000 0.621 286 G HN 0.701 nan 8.290 nan 0.000 0.519 287 D N 1.101 121.348 120.400 -0.255 0.000 2.340 287 D HA 0.173 4.801 4.640 -0.021 0.000 0.220 287 D C 1.164 177.429 176.300 -0.058 0.000 1.039 287 D CA 0.611 54.469 54.000 -0.236 0.000 0.866 287 D CB 0.151 40.667 40.800 -0.473 0.000 0.913 287 D HN 0.367 nan 8.370 nan 0.000 0.523 288 S N -0.459 115.240 115.700 -0.002 0.000 2.552 288 S HA 0.283 4.740 4.470 -0.021 0.000 0.289 288 S C 1.551 176.126 174.600 -0.041 0.000 1.304 288 S CA 0.692 58.896 58.200 0.006 0.000 1.063 288 S CB 1.071 64.273 63.200 0.003 0.000 0.848 288 S HN 0.472 nan 8.310 nan 0.000 0.499 289 G N 2.349 111.126 108.800 -0.039 0.000 2.225 289 G HA2 -0.309 3.638 3.960 -0.021 0.000 0.254 289 G HA3 -0.309 3.638 3.960 -0.021 0.000 0.254 289 G C 0.285 175.249 174.900 0.107 0.000 0.988 289 G CA 0.187 45.284 45.100 -0.005 0.000 0.625 289 G HN 1.226 nan 8.290 nan 0.000 0.527 290 S N 1.661 117.423 115.700 0.104 0.000 2.585 290 S HA 0.644 5.101 4.470 -0.021 0.000 0.273 290 S C -1.936 172.819 174.600 0.258 0.000 1.339 290 S CA -0.621 57.650 58.200 0.119 0.000 1.028 290 S CB 2.262 65.467 63.200 0.007 0.000 0.906 290 S HN 0.434 nan 8.310 nan 0.000 0.528 291 P HA 0.420 nan 4.420 nan 0.000 0.284 291 P C -1.131 176.047 177.300 -0.204 0.000 1.258 291 P CA -0.734 62.413 63.100 0.078 0.000 0.824 291 P CB 0.991 32.665 31.700 -0.042 0.000 1.038 292 L N 3.038 123.873 121.223 -0.647 0.000 2.329 292 L HA 0.619 4.946 4.340 -0.021 0.000 0.279 292 L C -1.330 175.004 176.870 -0.894 0.000 1.014 292 L CA -0.464 53.805 54.840 -0.952 0.000 0.814 292 L CB 0.706 41.763 42.059 -1.670 0.000 1.257 292 L HN 0.151 nan 8.230 nan 0.000 0.424 293 F N 3.862 123.741 119.950 -0.118 0.000 2.561 293 F HA 0.731 5.246 4.527 -0.019 0.000 0.321 293 F C -0.270 175.706 175.800 0.293 0.000 1.065 293 F CA -0.828 57.227 58.000 0.092 0.000 0.934 293 F CB 2.149 41.229 39.000 0.132 0.000 1.215 293 F HN 0.293 nan 8.300 nan 0.000 0.471 294 V N 2.678 122.873 119.914 0.468 0.000 2.735 294 V HA 0.454 4.562 4.120 -0.021 0.000 0.310 294 V C -1.777 174.331 176.094 0.023 0.000 1.061 294 V CA -0.835 61.557 62.300 0.153 0.000 0.913 294 V CB 1.906 33.657 31.823 -0.121 0.000 1.005 294 V HN 0.645 nan 8.190 nan 0.000 0.428 295 Y N 5.126 125.043 120.300 -0.639 0.000 2.383 295 Y HA 0.427 4.964 4.550 -0.021 0.000 0.344 295 Y C 0.153 175.828 175.900 -0.375 0.000 0.986 295 Y CA -0.340 57.185 58.100 -0.957 0.000 1.175 295 Y CB 0.962 38.544 38.460 -1.465 0.000 1.152 295 Y HN 0.734 nan 8.280 nan 0.000 0.511 296 D N 6.731 126.712 120.400 -0.698 0.000 2.396 296 D HA 0.116 4.744 4.640 -0.021 0.000 0.225 296 D C 1.078 176.993 176.300 -0.642 0.000 1.121 296 D CA -0.106 53.665 54.000 -0.382 0.000 0.853 296 D CB 0.754 41.452 40.800 -0.169 0.000 1.043 296 D HN 0.855 nan 8.370 nan 0.000 0.500 297 R N 3.161 123.410 120.500 -0.419 0.000 2.091 297 R HA -0.140 4.188 4.340 -0.021 0.000 0.238 297 R C 1.233 177.396 176.300 -0.228 0.000 1.136 297 R CA 1.279 57.237 56.100 -0.237 0.000 0.959 297 R CB 0.259 30.492 30.300 -0.112 0.000 0.856 297 R HN 0.434 nan 8.270 nan 0.000 0.437 298 E N 0.458 120.519 120.200 -0.231 0.000 2.152 298 E HA -0.144 4.194 4.350 -0.021 0.000 0.192 298 E C 1.729 178.238 176.600 -0.153 0.000 0.983 298 E CA 1.015 57.318 56.400 -0.161 0.000 0.818 298 E CB 0.057 29.671 29.700 -0.143 0.000 0.758 298 E HN 0.412 nan 8.360 nan 0.000 0.467 299 K N -0.336 119.945 120.400 -0.199 0.000 2.296 299 K HA 0.017 4.325 4.320 -0.021 0.000 0.200 299 K C 1.038 177.516 176.600 -0.202 0.000 1.048 299 K CA 0.605 56.789 56.287 -0.172 0.000 0.966 299 K CB 0.191 32.595 32.500 -0.161 0.000 0.754 299 K HN 0.198 nan 8.250 nan 0.000 0.466 300 G N 2.754 111.370 108.800 -0.307 0.000 2.221 300 G HA2 -0.309 3.639 3.960 -0.021 0.000 0.265 300 G HA3 -0.309 3.639 3.960 -0.021 0.000 0.265 300 G C -0.316 174.412 174.900 -0.286 0.000 1.041 300 G CA 1.042 46.002 45.100 -0.234 0.000 0.807 300 G HN 0.429 nan 8.290 nan 0.000 0.502 301 K N -1.999 118.032 120.400 -0.614 0.000 2.579 301 K HA 0.508 4.816 4.320 -0.021 0.000 0.284 301 K C -0.799 175.498 176.600 -0.504 0.000 0.990 301 K CA -1.569 54.510 56.287 -0.346 0.000 0.880 301 K CB 0.988 33.425 32.500 -0.105 0.000 1.488 301 K HN 0.043 nan 8.250 nan 0.000 0.425 302 W N 1.759 123.040 121.300 -0.032 0.000 2.218 302 W HA 0.408 5.055 4.660 -0.022 0.000 0.326 302 W C -0.177 176.361 176.519 0.031 0.000 1.276 302 W CA -0.346 57.012 57.345 0.022 0.000 1.210 302 W CB 0.648 30.098 29.460 -0.016 0.000 1.143 302 W HN 0.257 nan 8.180 nan 0.000 0.563 303 L N 3.609 125.048 121.223 0.360 0.000 2.370 303 L HA 0.451 4.778 4.340 -0.021 0.000 0.266 303 L C -0.407 176.736 176.870 0.455 0.000 1.002 303 L CA -1.453 53.571 54.840 0.306 0.000 0.818 303 L CB 1.272 43.422 42.059 0.152 0.000 1.325 303 L HN 0.208 nan 8.230 nan 0.000 0.418 304 F N 1.630 121.731 119.950 0.251 0.000 2.538 304 F HA 0.135 4.650 4.527 -0.019 0.000 0.371 304 F C 0.386 176.152 175.800 -0.056 0.000 1.087 304 F CA 0.084 58.124 58.000 0.068 0.000 1.250 304 F CB 0.811 39.801 39.000 -0.017 0.000 1.110 304 F HN 0.344 nan 8.300 nan 0.000 0.570 305 L N 4.703 125.325 121.223 -1.002 0.000 2.526 305 L HA 0.650 4.977 4.340 -0.021 0.000 0.210 305 L C 0.581 176.881 176.870 -0.950 0.000 1.048 305 L CA 1.251 55.622 54.840 -0.782 0.000 0.852 305 L CB 0.020 41.748 42.059 -0.551 0.000 1.128 305 L HN 0.774 nan 8.230 nan 0.000 0.482 306 G N -1.805 106.233 108.800 -1.270 0.000 2.430 306 G HA2 0.484 4.431 3.960 -0.021 0.000 0.300 306 G HA3 0.484 4.431 3.960 -0.021 0.000 0.300 306 G C -1.711 173.158 174.900 -0.052 0.000 1.330 306 G CA -0.237 44.556 45.100 -0.511 0.000 0.813 306 G HN -0.044 nan 8.290 nan 0.000 0.487 307 S N -0.970 114.942 115.700 0.354 0.000 2.526 307 S HA 0.533 4.990 4.470 -0.021 0.000 0.293 307 S C -1.278 173.503 174.600 0.303 0.000 1.092 307 S CA -0.431 58.026 58.200 0.428 0.000 0.980 307 S CB 1.603 64.982 63.200 0.299 0.000 1.048 307 S HN 0.584 nan 8.310 nan 0.000 0.483 308 Y N 4.175 124.429 120.300 -0.077 0.000 2.544 308 Y HA 0.099 4.638 4.550 -0.019 0.000 0.330 308 Y C 1.315 177.020 175.900 -0.325 0.000 1.136 308 Y CA -0.132 57.586 58.100 -0.636 0.000 1.417 308 Y CB 0.390 38.415 38.460 -0.725 0.000 1.229 308 Y HN 0.845 nan 8.280 nan 0.000 0.532 309 D N 3.944 123.980 120.400 -0.605 0.000 2.457 309 D HA 0.014 4.641 4.640 -0.021 0.000 0.254 309 D C -0.391 175.806 176.300 -0.171 0.000 1.097 309 D CA 0.239 54.095 54.000 -0.239 0.000 0.870 309 D CB 0.277 41.029 40.800 -0.081 0.000 1.253 309 D HN 0.309 nan 8.370 nan 0.000 0.500 310 F N 0.523 120.041 119.950 -0.719 0.000 2.779 310 F HA 0.550 5.060 4.527 -0.027 0.000 0.316 310 F C -1.784 173.768 175.800 -0.413 0.000 1.164 310 F CA -0.958 56.844 58.000 -0.330 0.000 0.924 310 F CB 1.661 40.656 39.000 -0.009 0.000 1.348 310 F HN 0.078 nan 8.300 nan 0.000 0.467 311 W N 0.991 121.757 121.300 -0.889 0.000 2.881 311 W HA 0.635 5.283 4.660 -0.019 0.000 0.380 311 W C -1.276 175.053 176.519 -0.316 0.000 1.170 311 W CA -0.719 56.297 57.345 -0.549 0.000 1.171 311 W CB 0.703 29.860 29.460 -0.504 0.000 1.464 311 W HN 0.766 nan 8.180 nan 0.000 0.574 312 A N 0.909 123.681 122.820 -0.080 0.000 2.275 312 A HA 0.550 4.858 4.320 -0.021 0.000 0.212 312 A C 1.206 178.399 177.584 -0.652 0.000 1.201 312 A CA 1.395 53.306 52.037 -0.210 0.000 0.843 312 A CB -1.031 18.070 19.000 0.168 0.000 0.873 312 A HN 2.264 nan 8.150 nan 0.000 0.492 313 G N -1.994 105.889 108.800 -1.530 0.000 2.757 313 G HA2 -0.213 3.735 3.960 -0.021 0.000 0.638 313 G HA3 -0.213 3.735 3.960 -0.021 0.000 0.638 313 G C 0.070 174.495 174.900 -0.792 0.000 1.344 313 G CA -0.017 43.979 45.100 -1.840 0.000 0.855 313 G HN 0.263 nan 8.290 nan 0.000 0.537 314 Y N 0.511 120.642 120.300 -0.281 0.000 2.519 314 Y HA 0.073 4.611 4.550 -0.019 0.000 0.287 314 Y C 2.571 178.474 175.900 0.004 0.000 1.128 314 Y CA 1.360 59.491 58.100 0.051 0.000 1.282 314 Y CB -0.127 38.431 38.460 0.163 0.000 1.027 314 Y HN 0.593 nan 8.280 nan 0.000 0.551 315 N N 0.227 118.974 118.700 0.078 0.000 2.245 315 N HA -0.084 4.643 4.740 -0.021 0.000 0.185 315 N C 1.584 177.097 175.510 0.006 0.000 1.036 315 N CA 1.386 54.461 53.050 0.042 0.000 0.857 315 N CB 0.042 38.533 38.487 0.006 0.000 1.015 315 N HN 0.051 nan 8.380 nan 0.000 0.436 316 K N 0.450 120.826 120.400 -0.040 0.000 2.103 316 K HA 0.034 4.342 4.320 -0.021 0.000 0.204 316 K C 0.016 176.606 176.600 -0.016 0.000 1.052 316 K CA 0.699 56.970 56.287 -0.026 0.000 0.945 316 K CB 0.046 32.520 32.500 -0.043 0.000 0.722 316 K HN 0.159 nan 8.250 nan 0.000 0.443 317 K N 0.241 120.587 120.400 -0.089 0.000 3.069 317 K HA -0.164 4.144 4.320 -0.021 0.000 0.267 317 K C 0.581 176.936 176.600 -0.408 0.000 1.082 317 K CA 0.779 56.780 56.287 -0.477 0.000 0.782 317 K CB -1.880 30.414 32.500 -0.343 0.000 1.230 317 K HN 0.365 nan 8.250 nan 0.000 0.488 318 S N -1.703 114.030 115.700 0.056 0.000 2.540 318 S HA 0.208 4.665 4.470 -0.021 0.000 0.222 318 S C -0.121 174.830 174.600 0.586 0.000 1.008 318 S CA -0.328 58.023 58.200 0.251 0.000 0.939 318 S CB 0.059 63.424 63.200 0.275 0.000 0.865 318 S HN 0.462 nan 8.310 nan 0.000 0.499 319 W N 1.213 122.795 121.300 0.470 0.000 3.419 319 W HA 0.548 5.207 4.660 -0.002 0.000 0.298 319 W C -2.409 174.348 176.519 0.398 0.000 1.260 319 W CA -0.347 57.249 57.345 0.419 0.000 1.199 319 W CB 0.896 30.484 29.460 0.213 0.000 1.349 319 W HN 0.023 nan 8.180 nan 0.000 0.557 320 Q N 3.717 123.254 119.800 -0.437 0.000 2.345 320 Q HA 0.394 4.722 4.340 -0.021 0.000 0.275 320 Q C -1.644 173.873 176.000 -0.805 0.000 1.063 320 Q CA -1.076 54.446 55.803 -0.469 0.000 0.819 320 Q CB 3.292 31.963 28.738 -0.112 0.000 1.356 320 Q HN 0.515 nan 8.270 nan 0.000 0.418 321 E N 2.031 121.678 120.200 -0.922 0.000 2.308 321 E HA 0.383 4.721 4.350 -0.021 0.000 0.275 321 E C -1.492 174.852 176.600 -0.427 0.000 0.890 321 E CA -0.493 55.576 56.400 -0.552 0.000 0.754 321 E CB 1.752 31.075 29.700 -0.629 0.000 1.207 321 E HN 0.477 nan 8.360 nan 0.000 0.426 322 W N 2.497 123.768 121.300 -0.048 0.000 2.689 322 W HA 0.328 4.974 4.660 -0.023 0.000 0.340 322 W C 0.041 176.538 176.519 -0.037 0.000 1.060 322 W CA -0.847 56.491 57.345 -0.013 0.000 1.218 322 W CB 1.839 31.294 29.460 -0.010 0.000 1.410 322 W HN 0.478 nan 8.180 nan 0.000 0.528 323 N N 2.369 121.187 118.700 0.196 0.000 2.419 323 N HA 0.283 5.011 4.740 -0.021 0.000 0.264 323 N C -0.589 175.018 175.510 0.162 0.000 1.031 323 N CA -0.104 53.028 53.050 0.137 0.000 0.951 323 N CB 0.530 39.101 38.487 0.141 0.000 1.101 323 N HN 0.268 nan 8.380 nan 0.000 0.488 324 I N 3.413 124.022 120.570 0.066 0.000 2.634 324 I HA 0.005 4.162 4.170 -0.021 0.000 0.284 324 I C 0.520 176.729 176.117 0.154 0.000 1.124 324 I CA -0.674 60.653 61.300 0.046 0.000 1.417 324 I CB 0.230 38.236 38.000 0.009 0.000 1.396 324 I HN 0.496 nan 8.210 nan 0.000 0.571 325 Y N 6.915 127.294 120.300 0.131 0.000 2.987 325 Y HA -0.132 4.405 4.550 -0.021 0.000 0.339 325 Y C -0.044 175.952 175.900 0.160 0.000 1.272 325 Y CA 0.200 58.505 58.100 0.343 0.000 1.562 325 Y CB 0.209 38.887 38.460 0.364 0.000 1.253 325 Y HN 0.402 nan 8.280 nan 0.000 0.604 326 K N 9.002 129.049 120.400 -0.588 0.000 2.414 326 K HA 0.198 4.505 4.320 -0.021 0.000 0.251 326 K C -2.073 174.186 176.600 -0.569 0.000 1.037 326 K CA -1.663 54.315 56.287 -0.515 0.000 0.980 326 K CB 1.278 33.429 32.500 -0.583 0.000 1.280 326 K HN 0.486 nan 8.250 nan 0.000 0.451 327 P HA -0.133 nan 4.420 nan 0.000 0.220 327 P C 0.552 177.833 177.300 -0.033 0.000 1.152 327 P CA 1.031 64.037 63.100 -0.155 0.000 0.812 327 P CB 0.500 32.272 31.700 0.119 0.000 0.792 328 E N -0.668 119.534 120.200 0.003 0.000 2.107 328 E HA -0.116 4.222 4.350 -0.021 0.000 0.191 328 E C 1.879 178.529 176.600 0.082 0.000 0.982 328 E CA 0.680 57.105 56.400 0.042 0.000 0.809 328 E CB -0.912 28.820 29.700 0.054 0.000 0.756 328 E HN 0.223 nan 8.360 nan 0.000 0.459 329 F N 1.901 121.828 119.950 -0.038 0.000 2.126 329 F HA -0.175 4.341 4.527 -0.018 0.000 0.299 329 F C 2.241 178.033 175.800 -0.013 0.000 1.096 329 F CA 1.353 59.359 58.000 0.010 0.000 1.255 329 F CB -0.407 38.655 39.000 0.103 0.000 0.997 329 F HN -0.028 nan 8.300 nan 0.000 0.479 330 A N 0.234 123.028 122.820 -0.045 0.000 1.908 330 A HA -0.236 4.071 4.320 -0.021 0.000 0.218 330 A C 2.289 179.756 177.584 -0.195 0.000 1.181 330 A CA 1.979 53.931 52.037 -0.142 0.000 0.627 330 A CB -0.710 18.291 19.000 0.003 0.000 0.818 330 A HN 0.463 nan 8.150 nan 0.000 0.445 331 K N -0.992 119.340 120.400 -0.114 0.000 2.057 331 K HA -0.101 4.207 4.320 -0.021 0.000 0.207 331 K C 2.119 178.630 176.600 -0.149 0.000 1.049 331 K CA 1.730 57.951 56.287 -0.110 0.000 0.931 331 K CB -0.420 32.048 32.500 -0.054 0.000 0.714 331 K HN 0.487 nan 8.250 nan 0.000 0.440 332 T N 1.073 115.527 114.554 -0.167 0.000 2.708 332 T HA -0.116 4.221 4.350 -0.021 0.000 0.266 332 T C 2.029 176.580 174.700 -0.248 0.000 1.037 332 T CA 1.242 63.235 62.100 -0.178 0.000 1.146 332 T CB -0.188 68.585 68.868 -0.158 0.000 0.865 332 T HN -0.051 nan 8.240 nan 0.000 0.435 333 V N 1.473 121.145 119.914 -0.402 0.000 2.295 333 V HA -0.110 3.998 4.120 -0.021 0.000 0.246 333 V C 2.505 178.433 176.094 -0.277 0.000 1.049 333 V CA 1.485 63.552 62.300 -0.388 0.000 1.024 333 V CB -0.673 30.823 31.823 -0.545 0.000 0.648 333 V HN 0.431 nan 8.190 nan 0.000 0.447 334 L N 0.059 121.086 121.223 -0.326 0.000 2.046 334 L HA -0.223 4.105 4.340 -0.021 0.000 0.208 334 L C 2.372 179.163 176.870 -0.132 0.000 1.077 334 L CA 2.195 56.886 54.840 -0.248 0.000 0.747 334 L CB -0.696 41.205 42.059 -0.264 0.000 0.896 334 L HN 0.438 nan 8.230 nan 0.000 0.432 335 D N 0.308 120.631 120.400 -0.128 0.000 2.117 335 D HA -0.257 4.371 4.640 -0.021 0.000 0.197 335 D C 2.215 178.476 176.300 -0.064 0.000 0.987 335 D CA 1.275 55.222 54.000 -0.088 0.000 0.829 335 D CB 0.069 40.821 40.800 -0.081 0.000 0.961 335 D HN 0.091 nan 8.370 nan 0.000 0.460 336 K N -0.227 120.131 120.400 -0.070 0.000 2.103 336 K HA -0.161 4.147 4.320 -0.021 0.000 0.207 336 K C 0.699 177.292 176.600 -0.011 0.000 1.048 336 K CA 1.685 57.947 56.287 -0.043 0.000 0.930 336 K CB 0.071 32.541 32.500 -0.050 0.000 0.716 336 K HN 0.115 nan 8.250 nan 0.000 0.444 337 D N -0.065 120.344 120.400 0.016 0.000 2.349 337 D HA -0.006 4.622 4.640 -0.021 0.000 0.214 337 D C -0.081 176.268 176.300 0.082 0.000 1.063 337 D CA 0.441 54.489 54.000 0.079 0.000 0.847 337 D CB 0.723 41.640 40.800 0.195 0.000 0.933 337 D HN 0.103 nan 8.370 nan 0.000 0.513 338 T N -0.649 113.924 114.554 0.031 0.000 2.824 338 T HA 0.524 4.862 4.350 -0.021 0.000 0.280 338 T C 1.117 175.816 174.700 -0.002 0.000 0.995 338 T CA -0.473 61.640 62.100 0.022 0.000 1.009 338 T CB 1.702 70.555 68.868 -0.026 0.000 0.955 338 T HN -0.058 nan 8.240 nan 0.000 0.452 339 A N 3.499 126.320 122.820 0.002 0.000 1.968 339 A HA 0.559 4.867 4.320 -0.021 0.000 0.217 339 A C 1.376 178.933 177.584 -0.044 0.000 1.169 339 A CA 1.276 53.301 52.037 -0.020 0.000 0.638 339 A CB -0.972 18.017 19.000 -0.019 0.000 0.812 339 A HN 1.619 nan 8.150 nan 0.000 0.446 340 G N -2.611 106.155 108.800 -0.057 0.000 2.278 340 G HA2 0.361 4.309 3.960 -0.021 0.000 0.265 340 G HA3 0.361 4.309 3.960 -0.021 0.000 0.265 340 G C -0.768 174.072 174.900 -0.100 0.000 1.329 340 G CA -0.096 44.960 45.100 -0.073 0.000 1.017 340 G HN 0.768 nan 8.290 nan 0.000 0.472 341 S N -0.901 114.737 115.700 -0.103 0.000 2.570 341 S HA 0.833 5.290 4.470 -0.021 0.000 0.286 341 S C -0.658 173.864 174.600 -0.130 0.000 1.099 341 S CA -0.600 57.529 58.200 -0.119 0.000 0.913 341 S CB 1.781 64.932 63.200 -0.081 0.000 1.085 341 S HN 0.682 nan 8.310 nan 0.000 0.480 342 L N 1.414 122.535 121.223 -0.170 0.000 2.354 342 L HA 0.628 4.955 4.340 -0.021 0.000 0.269 342 L C -0.569 176.302 176.870 0.001 0.000 1.005 342 L CA -0.512 54.241 54.840 -0.144 0.000 0.819 342 L CB 2.401 44.204 42.059 -0.426 0.000 1.311 342 L HN 0.562 nan 8.230 nan 0.000 0.423 343 T N 1.431 116.053 114.554 0.114 0.000 2.864 343 T HA 0.448 4.786 4.350 -0.021 0.000 0.310 343 T C 0.157 175.016 174.700 0.266 0.000 1.040 343 T CA -0.549 61.654 62.100 0.172 0.000 0.977 343 T CB 1.284 70.214 68.868 0.104 0.000 0.976 343 T HN 0.709 nan 8.240 nan 0.000 0.459 344 G N 1.588 110.605 108.800 0.361 0.000 2.400 344 G HA2 0.518 4.466 3.960 -0.021 0.000 0.301 344 G HA3 0.518 4.466 3.960 -0.021 0.000 0.301 344 G C -0.165 174.789 174.900 0.091 0.000 1.154 344 G CA -0.765 44.504 45.100 0.283 0.000 0.852 344 G HN 0.663 nan 8.290 nan 0.000 0.511 345 S N 1.025 116.732 115.700 0.011 0.000 2.399 345 S HA 0.279 4.736 4.470 -0.021 0.000 0.215 345 S C 0.159 174.717 174.600 -0.070 0.000 1.456 345 S CA -0.917 57.268 58.200 -0.025 0.000 1.199 345 S CB 0.428 63.623 63.200 -0.007 0.000 1.063 345 S HN 0.667 nan 8.310 nan 0.000 0.476 346 N N 0.852 119.487 118.700 -0.108 0.000 2.727 346 N HA -0.131 4.596 4.740 -0.021 0.000 0.249 346 N C -0.738 174.681 175.510 -0.152 0.000 1.048 346 N CA 1.179 54.149 53.050 -0.133 0.000 0.714 346 N CB -1.355 37.076 38.487 -0.094 0.000 0.959 346 N HN 0.720 nan 8.380 nan 0.000 0.544 347 T N 1.261 115.698 114.554 -0.194 0.000 2.817 347 T HA 0.201 4.538 4.350 -0.021 0.000 0.293 347 T C 0.690 175.156 174.700 -0.390 0.000 0.964 347 T CA -0.296 61.605 62.100 -0.332 0.000 1.085 347 T CB 1.519 70.096 68.868 -0.485 0.000 0.921 347 T HN 0.017 nan 8.240 nan 0.000 0.502 348 Q N 3.001 122.600 119.800 -0.335 0.000 2.421 348 Q HA 0.267 4.595 4.340 -0.021 0.000 0.242 348 Q C -1.077 174.799 176.000 -0.206 0.000 1.024 348 Q CA -0.344 55.347 55.803 -0.186 0.000 0.891 348 Q CB 0.749 29.434 28.738 -0.089 0.000 1.222 348 Q HN 0.616 nan 8.270 nan 0.000 0.483 349 Y N 1.298 121.654 120.300 0.093 0.000 2.352 349 Y HA 0.245 4.783 4.550 -0.020 0.000 0.326 349 Y C 0.217 176.174 175.900 0.095 0.000 1.166 349 Y CA -0.608 57.541 58.100 0.082 0.000 1.182 349 Y CB 1.153 39.659 38.460 0.077 0.000 1.216 349 Y HN 0.486 nan 8.280 nan 0.000 0.474 350 N N 0.994 119.852 118.700 0.263 0.000 2.362 350 N HA 0.232 4.960 4.740 -0.021 0.000 0.298 350 N C -1.851 173.834 175.510 0.291 0.000 1.048 350 N CA -0.649 52.541 53.050 0.233 0.000 0.858 350 N CB 1.084 39.668 38.487 0.163 0.000 1.218 350 N HN 0.509 nan 8.380 nan 0.000 0.488 351 W N 2.426 123.781 121.300 0.092 0.000 2.361 351 W HA 0.430 5.077 4.660 -0.021 0.000 0.314 351 W C -0.874 175.685 176.519 0.066 0.000 1.041 351 W CA -1.133 56.260 57.345 0.079 0.000 1.241 351 W CB 0.310 29.818 29.460 0.079 0.000 1.279 351 W HN 0.460 nan 8.180 nan 0.000 0.436 352 N N 7.782 126.738 118.700 0.428 0.000 2.518 352 N HA 0.449 5.177 4.740 -0.021 0.000 0.254 352 N C -2.709 172.904 175.510 0.172 0.000 0.979 352 N CA -1.615 51.559 53.050 0.207 0.000 0.930 352 N CB 1.977 40.561 38.487 0.161 0.000 1.152 352 N HN -0.014 nan 8.380 nan 0.000 0.505 353 P HA 0.303 nan 4.420 nan 0.000 0.284 353 P C -1.207 176.117 177.300 0.040 0.000 1.258 353 P CA -0.377 62.739 63.100 0.026 0.000 0.824 353 P CB 1.253 32.897 31.700 -0.093 0.000 1.038 354 T N -1.488 113.100 114.554 0.057 0.000 3.089 354 T HA 0.546 4.884 4.350 -0.021 0.000 0.340 354 T C 0.626 175.353 174.700 0.045 0.000 1.008 354 T CA 0.055 62.182 62.100 0.045 0.000 1.096 354 T CB 0.342 69.242 68.868 0.053 0.000 1.024 354 T HN 0.754 nan 8.240 nan 0.000 0.477 355 G N 4.743 113.560 108.800 0.029 0.000 2.634 355 G HA2 -0.428 3.520 3.960 -0.021 0.000 0.318 355 G HA3 -0.428 3.520 3.960 -0.021 0.000 0.318 355 G C 0.836 175.763 174.900 0.045 0.000 1.207 355 G CA 0.803 45.919 45.100 0.026 0.000 0.987 355 G HN 1.262 nan 8.290 nan 0.000 0.547 356 K N 0.298 120.717 120.400 0.030 0.000 2.487 356 K HA 0.427 4.735 4.320 -0.021 0.000 0.192 356 K C 0.934 177.647 176.600 0.188 0.000 1.027 356 K CA 1.244 57.556 56.287 0.043 0.000 1.054 356 K CB 0.296 32.687 32.500 -0.182 0.000 0.824 356 K HN 0.610 nan 8.250 nan 0.000 0.510 357 T N -0.418 114.230 114.554 0.157 0.000 2.696 357 T HA 0.501 4.838 4.350 -0.021 0.000 0.291 357 T C -1.729 173.074 174.700 0.172 0.000 1.095 357 T CA -0.239 61.972 62.100 0.185 0.000 1.026 357 T CB 1.861 70.831 68.868 0.169 0.000 1.390 357 T HN 0.407 nan 8.240 nan 0.000 0.513 358 S N -0.324 115.500 115.700 0.207 0.000 2.615 358 S HA 0.688 5.146 4.470 -0.021 0.000 0.268 358 S C -2.043 172.709 174.600 0.253 0.000 1.146 358 S CA -0.710 57.651 58.200 0.267 0.000 0.818 358 S CB 1.073 64.532 63.200 0.433 0.000 1.111 358 S HN 0.668 nan 8.310 nan 0.000 0.465 359 V N 1.449 121.524 119.914 0.269 0.000 2.638 359 V HA 0.544 4.652 4.120 -0.021 0.000 0.306 359 V C -0.800 175.383 176.094 0.148 0.000 1.052 359 V CA -0.618 61.780 62.300 0.162 0.000 0.885 359 V CB 1.581 33.476 31.823 0.119 0.000 0.999 359 V HN 0.884 nan 8.190 nan 0.000 0.424 360 I N 4.448 124.984 120.570 -0.057 0.000 2.336 360 I HA 0.667 4.825 4.170 -0.021 0.000 0.292 360 I C 0.139 176.249 176.117 -0.012 0.000 0.991 360 I CA 0.111 61.320 61.300 -0.152 0.000 1.227 360 I CB 1.779 39.466 38.000 -0.521 0.000 1.366 360 I HN 0.804 nan 8.210 nan 0.000 0.466 361 S N 5.137 120.917 115.700 0.134 0.000 2.579 361 S HA 0.602 5.060 4.470 -0.021 0.000 0.272 361 S C -1.321 173.440 174.600 0.268 0.000 1.141 361 S CA -0.955 57.360 58.200 0.191 0.000 0.843 361 S CB 2.358 65.630 63.200 0.119 0.000 1.122 361 S HN 0.723 nan 8.310 nan 0.000 0.468 362 N N 0.455 119.279 118.700 0.208 0.000 2.519 362 N HA 0.431 5.159 4.740 -0.021 0.000 0.291 362 N C 0.783 176.315 175.510 0.037 0.000 1.107 362 N CA 0.006 53.088 53.050 0.054 0.000 0.904 362 N CB 1.072 39.466 38.487 -0.156 0.000 1.500 362 N HN 1.371 nan 8.380 nan 0.000 0.510 363 G N 3.237 112.051 108.800 0.023 0.000 2.723 363 G HA2 -0.480 3.467 3.960 -0.021 0.000 0.356 363 G HA3 -0.480 3.467 3.960 -0.021 0.000 0.356 363 G C 0.939 175.860 174.900 0.034 0.000 1.164 363 G CA 2.201 47.313 45.100 0.019 0.000 0.939 363 G HN 1.494 nan 8.290 nan 0.000 0.570 364 S N 0.918 116.638 115.700 0.033 0.000 2.517 364 S HA 0.326 4.784 4.470 -0.021 0.000 0.214 364 S C 0.669 175.301 174.600 0.054 0.000 0.991 364 S CA 1.047 59.270 58.200 0.038 0.000 0.906 364 S CB 0.212 63.429 63.200 0.027 0.000 0.789 364 S HN 0.742 nan 8.310 nan 0.000 0.513 365 E N 2.075 122.325 120.200 0.083 0.000 2.266 365 E HA 0.565 4.903 4.350 -0.021 0.000 0.277 365 E C -0.645 176.017 176.600 0.103 0.000 1.018 365 E CA -0.458 56.005 56.400 0.105 0.000 0.840 365 E CB 1.509 31.319 29.700 0.183 0.000 1.082 365 E HN 0.455 nan 8.360 nan 0.000 0.395 366 S N 2.285 118.020 115.700 0.059 0.000 2.533 366 S HA 0.603 5.061 4.470 -0.021 0.000 0.271 366 S C -1.469 173.128 174.600 -0.006 0.000 1.143 366 S CA -1.008 57.214 58.200 0.036 0.000 0.891 366 S CB 1.211 64.437 63.200 0.044 0.000 1.105 366 S HN 0.337 nan 8.310 nan 0.000 0.468 367 L N 2.237 123.433 121.223 -0.044 0.000 2.409 367 L HA 0.615 4.942 4.340 -0.021 0.000 0.272 367 L C -1.213 175.631 176.870 -0.043 0.000 0.980 367 L CA -0.368 54.431 54.840 -0.068 0.000 0.826 367 L CB 1.583 43.553 42.059 -0.148 0.000 1.268 367 L HN 0.874 nan 8.230 nan 0.000 0.407 368 N N 3.518 122.212 118.700 -0.009 0.000 2.470 368 N HA 0.480 5.207 4.740 -0.021 0.000 0.268 368 N C -1.215 174.312 175.510 0.029 0.000 1.136 368 N CA -0.323 52.744 53.050 0.028 0.000 0.961 368 N CB 1.431 39.939 38.487 0.035 0.000 1.067 368 N HN 0.341 nan 8.380 nan 0.000 0.468 369 V N 2.280 122.247 119.914 0.088 0.000 2.380 369 V HA 0.176 4.284 4.120 -0.021 0.000 0.286 369 V C -0.475 175.729 176.094 0.183 0.000 1.015 369 V CA -0.925 61.450 62.300 0.125 0.000 0.834 369 V CB 1.146 33.068 31.823 0.165 0.000 1.009 369 V HN 0.620 nan 8.190 nan 0.000 0.428 370 D N 4.066 124.525 120.400 0.100 0.000 2.399 370 D HA 0.484 5.111 4.640 -0.021 0.000 0.241 370 D C 0.020 176.427 176.300 0.178 0.000 1.133 370 D CA 0.347 54.399 54.000 0.087 0.000 0.890 370 D CB 1.383 42.065 40.800 -0.197 0.000 1.201 370 D HN 0.313 nan 8.370 nan 0.000 0.432 371 L N 0.570 121.963 121.223 0.283 0.000 2.211 371 L HA 0.425 4.753 4.340 -0.021 0.000 0.259 371 L C 0.291 177.363 176.870 0.337 0.000 1.031 371 L CA -1.323 53.681 54.840 0.273 0.000 0.877 371 L CB 0.623 42.805 42.059 0.204 0.000 1.457 371 L HN 0.260 nan 8.230 nan 0.000 0.466 372 F N 1.748 121.748 119.950 0.082 0.000 2.604 372 F HA -0.112 4.402 4.527 -0.021 0.000 0.390 372 F C 0.335 176.136 175.800 0.002 0.000 1.053 372 F CA 0.253 58.274 58.000 0.035 0.000 1.256 372 F CB 0.167 39.143 39.000 -0.040 0.000 0.996 372 F HN 0.330 nan 8.300 nan 0.000 0.564 373 D N 4.085 124.194 120.400 -0.485 0.000 2.472 373 D HA 0.136 4.764 4.640 -0.021 0.000 0.234 373 D C 0.685 176.649 176.300 -0.561 0.000 1.088 373 D CA -0.023 53.690 54.000 -0.478 0.000 0.882 373 D CB 0.989 41.385 40.800 -0.674 0.000 1.037 373 D HN 0.494 nan 8.370 nan 0.000 0.520 374 S N 1.530 117.059 115.700 -0.286 0.000 2.481 374 S HA -0.154 4.303 4.470 -0.021 0.000 0.231 374 S C 1.752 176.272 174.600 -0.133 0.000 0.996 374 S CA 0.838 58.955 58.200 -0.139 0.000 0.942 374 S CB -0.301 62.993 63.200 0.156 0.000 0.768 374 S HN 0.355 nan 8.310 nan 0.000 0.520 375 S N 0.637 116.245 115.700 -0.153 0.000 2.522 375 S HA 0.054 4.511 4.470 -0.021 0.000 0.227 375 S C 0.885 175.410 174.600 -0.126 0.000 0.986 375 S CA -0.257 57.874 58.200 -0.116 0.000 0.929 375 S CB -0.432 62.705 63.200 -0.105 0.000 0.769 375 S HN 0.493 nan 8.310 nan 0.000 0.529 376 Q N 2.006 121.699 119.800 -0.179 0.000 2.417 376 Q HA 0.143 4.470 4.340 -0.021 0.000 0.241 376 Q C 0.195 176.129 176.000 -0.111 0.000 1.008 376 Q CA 0.341 56.057 55.803 -0.145 0.000 0.901 376 Q CB 0.522 29.153 28.738 -0.178 0.000 1.259 376 Q HN 0.616 nan 8.270 nan 0.000 0.489 377 D N -1.734 118.619 120.400 -0.078 0.000 2.349 377 D HA -0.010 4.617 4.640 -0.021 0.000 0.214 377 D C 0.184 176.452 176.300 -0.054 0.000 1.063 377 D CA 0.041 54.007 54.000 -0.057 0.000 0.847 377 D CB 0.213 40.989 40.800 -0.040 0.000 0.933 377 D HN 0.416 nan 8.370 nan 0.000 0.513 378 T N -3.523 110.992 114.554 -0.065 0.000 2.907 378 T HA 0.316 4.653 4.350 -0.021 0.000 0.292 378 T C 0.328 174.982 174.700 -0.078 0.000 1.043 378 T CA -0.784 61.280 62.100 -0.060 0.000 1.003 378 T CB 2.184 71.025 68.868 -0.045 0.000 1.084 378 T HN -0.362 nan 8.240 nan 0.000 0.483 379 D N 1.221 121.579 120.400 -0.071 0.000 2.149 379 D HA -0.079 4.549 4.640 -0.021 0.000 0.198 379 D C 2.142 178.410 176.300 -0.053 0.000 0.990 379 D CA 1.244 55.210 54.000 -0.057 0.000 0.839 379 D CB -0.326 40.423 40.800 -0.084 0.000 0.948 379 D HN 0.541 nan 8.370 nan 0.000 0.460 380 S N 0.374 116.044 115.700 -0.050 0.000 2.353 380 S HA -0.155 4.303 4.470 -0.021 0.000 0.222 380 S C 1.830 176.411 174.600 -0.032 0.000 1.035 380 S CA 1.129 59.316 58.200 -0.022 0.000 1.025 380 S CB -0.030 63.165 63.200 -0.008 0.000 0.902 380 S HN 0.295 nan 8.310 nan 0.000 0.440 381 K N 0.897 121.265 120.400 -0.054 0.000 2.103 381 K HA -0.001 4.307 4.320 -0.021 0.000 0.204 381 K C 2.190 178.712 176.600 -0.130 0.000 1.052 381 K CA 0.902 57.153 56.287 -0.060 0.000 0.945 381 K CB -0.092 32.375 32.500 -0.055 0.000 0.722 381 K HN 0.236 nan 8.250 nan 0.000 0.443 382 K N 0.857 121.110 120.400 -0.246 0.000 2.032 382 K HA -0.161 4.146 4.320 -0.021 0.000 0.209 382 K C 1.776 178.080 176.600 -0.495 0.000 1.048 382 K CA 1.968 57.909 56.287 -0.577 0.000 0.927 382 K CB -0.190 31.790 32.500 -0.867 0.000 0.712 382 K HN 0.153 nan 8.250 nan 0.000 0.441 383 N N 0.455 119.057 118.700 -0.163 0.000 2.250 383 N HA -0.118 4.609 4.740 -0.021 0.000 0.181 383 N C 1.535 177.083 175.510 0.064 0.000 1.017 383 N CA 0.772 53.863 53.050 0.067 0.000 0.866 383 N CB -0.078 38.486 38.487 0.127 0.000 0.985 383 N HN 0.131 nan 8.380 nan 0.000 0.429 384 N N 0.262 118.982 118.700 0.033 0.000 2.364 384 N HA -0.173 4.554 4.740 -0.021 0.000 0.183 384 N C 1.420 176.968 175.510 0.063 0.000 1.022 384 N CA 0.835 53.915 53.050 0.050 0.000 0.883 384 N CB -0.067 38.444 38.487 0.039 0.000 0.965 384 N HN 0.335 nan 8.380 nan 0.000 0.438 385 H N -1.043 118.010 119.070 -0.029 0.000 2.489 385 H HA 0.134 4.678 4.556 -0.021 0.000 0.293 385 H C 0.740 176.088 175.328 0.034 0.000 1.066 385 H CA 1.091 57.129 56.048 -0.016 0.000 1.305 385 H CB -0.501 29.220 29.762 -0.067 0.000 1.386 385 H HN 0.176 nan 8.280 nan 0.000 0.551 386 G N 0.655 109.518 108.800 0.106 0.000 2.467 386 G HA2 0.332 4.279 3.960 -0.021 0.000 0.257 386 G HA3 0.332 4.279 3.960 -0.021 0.000 0.257 386 G C -0.694 174.257 174.900 0.085 0.000 1.227 386 G CA -0.625 44.546 45.100 0.118 0.000 0.835 386 G HN 0.170 nan 8.290 nan 0.000 0.556 387 K N 0.861 121.325 120.400 0.107 0.000 2.328 387 K HA 0.478 4.786 4.320 -0.021 0.000 0.246 387 K C -0.206 176.499 176.600 0.175 0.000 0.955 387 K CA -0.700 55.653 56.287 0.110 0.000 0.817 387 K CB 2.155 34.685 32.500 0.050 0.000 1.208 387 K HN 0.428 nan 8.250 nan 0.000 0.432 388 S N 0.342 116.161 115.700 0.198 0.000 2.632 388 S HA 0.457 4.914 4.470 -0.021 0.000 0.267 388 S C -0.176 174.518 174.600 0.157 0.000 1.276 388 S CA -0.686 57.676 58.200 0.269 0.000 0.998 388 S CB 0.922 64.382 63.200 0.433 0.000 0.953 388 S HN 0.282 nan 8.310 nan 0.000 0.547 389 V N 1.559 121.557 119.914 0.139 0.000 2.709 389 V HA 0.450 4.558 4.120 -0.021 0.000 0.308 389 V C -0.280 175.790 176.094 -0.040 0.000 1.062 389 V CA -0.726 61.545 62.300 -0.049 0.000 0.901 389 V CB 2.263 33.941 31.823 -0.242 0.000 1.003 389 V HN 0.888 nan 8.190 nan 0.000 0.425 390 T N 5.678 120.167 114.554 -0.109 0.000 2.794 390 T HA 0.718 5.055 4.350 -0.021 0.000 0.280 390 T C -0.661 173.891 174.700 -0.247 0.000 0.987 390 T CA -0.265 61.761 62.100 -0.124 0.000 0.993 390 T CB 0.977 69.790 68.868 -0.092 0.000 0.939 390 T HN 0.302 nan 8.240 nan 0.000 0.449 391 L N 4.120 125.132 121.223 -0.351 0.000 2.319 391 L HA 0.535 4.862 4.340 -0.021 0.000 0.281 391 L C 0.518 177.348 176.870 -0.066 0.000 1.005 391 L CA -0.457 54.147 54.840 -0.393 0.000 0.828 391 L CB 1.183 42.678 42.059 -0.940 0.000 1.227 391 L HN 0.383 nan 8.230 nan 0.000 0.415 392 R N 1.226 121.793 120.500 0.112 0.000 2.856 392 R HA 0.847 5.174 4.340 -0.021 0.000 0.258 392 R C 0.554 177.058 176.300 0.341 0.000 1.066 392 R CA -0.306 55.918 56.100 0.206 0.000 1.045 392 R CB 1.603 31.966 30.300 0.106 0.000 1.178 392 R HN 0.728 nan 8.270 nan 0.000 0.499 393 G N 0.754 109.700 108.800 0.243 0.000 2.523 393 G HA2 -0.322 3.626 3.960 -0.021 0.000 0.271 393 G HA3 -0.322 3.626 3.960 -0.021 0.000 0.271 393 G C -0.613 174.361 174.900 0.123 0.000 1.146 393 G CA 0.125 45.326 45.100 0.167 0.000 0.961 393 G HN 0.937 nan 8.290 nan 0.000 0.549 394 S N -1.005 114.659 115.700 -0.060 0.000 2.550 394 S HA 0.990 5.447 4.470 -0.021 0.000 0.270 394 S C -0.009 174.183 174.600 -0.681 0.000 1.145 394 S CA 0.581 58.531 58.200 -0.418 0.000 0.852 394 S CB 1.760 64.837 63.200 -0.205 0.000 1.119 394 S HN 2.848 nan 8.310 nan 0.000 0.465 395 G N 0.460 108.609 108.800 -1.084 0.000 2.336 395 G HA2 0.529 4.476 3.960 -0.021 0.000 0.286 395 G HA3 0.529 4.476 3.960 -0.021 0.000 0.286 395 G C -1.475 173.246 174.900 -0.299 0.000 1.269 395 G CA -0.235 44.532 45.100 -0.553 0.000 0.873 395 G HN 1.046 nan 8.290 nan 0.000 0.494 396 T N -0.016 114.579 114.554 0.067 0.000 2.893 396 T HA 0.646 4.984 4.350 -0.021 0.000 0.291 396 T C -1.360 173.570 174.700 0.385 0.000 1.028 396 T CA -0.366 61.855 62.100 0.201 0.000 0.995 396 T CB 1.989 70.900 68.868 0.072 0.000 1.051 396 T HN 0.977 nan 8.240 nan 0.000 0.470 397 L N 2.336 123.769 121.223 0.351 0.000 2.372 397 L HA 0.607 4.935 4.340 -0.021 0.000 0.273 397 L C -0.743 176.258 176.870 0.218 0.000 0.989 397 L CA -0.010 55.027 54.840 0.329 0.000 0.841 397 L CB 1.614 43.865 42.059 0.320 0.000 1.225 397 L HN 0.664 nan 8.230 nan 0.000 0.414 398 T N 6.041 120.721 114.554 0.210 0.000 2.758 398 T HA 0.529 4.866 4.350 -0.021 0.000 0.285 398 T C -0.417 174.396 174.700 0.190 0.000 0.981 398 T CA -0.275 61.910 62.100 0.142 0.000 0.965 398 T CB 0.798 69.724 68.868 0.097 0.000 0.927 398 T HN 0.283 nan 8.240 nan 0.000 0.448 399 L N 4.568 125.867 121.223 0.127 0.000 2.278 399 L HA 0.329 4.657 4.340 -0.021 0.000 0.287 399 L C 1.423 178.311 176.870 0.030 0.000 1.072 399 L CA -0.028 54.868 54.840 0.094 0.000 0.819 399 L CB 0.320 42.372 42.059 -0.011 0.000 1.176 399 L HN 0.501 nan 8.230 nan 0.000 0.435 400 N N 2.055 120.785 118.700 0.049 0.000 2.463 400 N HA 0.054 4.781 4.740 -0.021 0.000 0.181 400 N C -0.174 175.326 175.510 -0.017 0.000 1.078 400 N CA 0.332 53.397 53.050 0.024 0.000 0.902 400 N CB 0.128 38.648 38.487 0.055 0.000 0.970 400 N HN 0.657 nan 8.380 nan 0.000 0.451 401 N N -0.870 117.798 118.700 -0.053 0.000 2.927 401 N HA 0.199 4.926 4.740 -0.021 0.000 0.248 401 N C -1.403 174.034 175.510 -0.122 0.000 1.443 401 N CA -0.754 52.251 53.050 -0.075 0.000 0.870 401 N CB 1.037 39.488 38.487 -0.061 0.000 1.444 401 N HN -0.153 nan 8.380 nan 0.000 0.519 402 N N 0.822 119.454 118.700 -0.114 0.000 2.407 402 N HA 0.120 4.848 4.740 -0.021 0.000 0.250 402 N C -0.856 174.533 175.510 -0.202 0.000 1.236 402 N CA 0.462 53.430 53.050 -0.135 0.000 0.879 402 N CB 0.382 38.801 38.487 -0.113 0.000 1.088 402 N HN 0.348 nan 8.380 nan 0.000 0.450 403 I N 1.315 121.734 120.570 -0.251 0.000 2.406 403 I HA 0.143 4.301 4.170 -0.021 0.000 0.290 403 I C -0.008 175.896 176.117 -0.354 0.000 0.999 403 I CA -0.560 60.517 61.300 -0.372 0.000 1.124 403 I CB 1.454 39.095 38.000 -0.598 0.000 1.289 403 I HN 0.333 nan 8.210 nan 0.000 0.441 404 D N 5.767 125.993 120.400 -0.290 0.000 2.460 404 D HA 0.165 4.793 4.640 -0.021 0.000 0.232 404 D C 0.426 176.622 176.300 -0.174 0.000 1.079 404 D CA -0.182 53.621 54.000 -0.328 0.000 0.864 404 D CB 1.219 41.811 40.800 -0.347 0.000 1.048 404 D HN 0.502 nan 8.370 nan 0.000 0.523 405 Q N 2.555 122.210 119.800 -0.241 0.000 2.444 405 Q HA 0.161 4.488 4.340 -0.021 0.000 0.206 405 Q C 1.159 177.207 176.000 0.080 0.000 0.948 405 Q CA 0.430 56.241 55.803 0.014 0.000 0.946 405 Q CB 0.075 28.910 28.738 0.161 0.000 1.027 405 Q HN 0.833 nan 8.270 nan 0.000 0.513 406 G N 0.746 109.593 108.800 0.079 0.000 2.622 406 G HA2 -0.443 3.504 3.960 -0.021 0.000 0.307 406 G HA3 -0.443 3.504 3.960 -0.021 0.000 0.307 406 G C 0.573 175.521 174.900 0.079 0.000 1.226 406 G CA 0.383 45.613 45.100 0.217 0.000 0.997 406 G HN 0.572 nan 8.290 nan 0.000 0.551 407 A N 1.124 124.005 122.820 0.102 0.000 2.275 407 A HA 0.613 4.921 4.320 -0.021 0.000 0.212 407 A C 1.518 179.161 177.584 0.098 0.000 1.201 407 A CA 1.500 53.577 52.037 0.067 0.000 0.843 407 A CB -0.569 18.469 19.000 0.063 0.000 0.873 407 A HN 2.096 nan 8.150 nan 0.000 0.492 408 G N -0.429 108.451 108.800 0.132 0.000 2.442 408 G HA2 0.470 4.418 3.960 -0.021 0.000 0.249 408 G HA3 0.470 4.418 3.960 -0.021 0.000 0.249 408 G C 0.269 175.305 174.900 0.226 0.000 1.263 408 G CA 0.339 45.565 45.100 0.210 0.000 0.846 408 G HN 0.575 nan 8.290 nan 0.000 0.555 409 G N -0.268 108.703 108.800 0.286 0.000 3.013 409 G HA2 0.627 4.574 3.960 -0.021 0.000 0.278 409 G HA3 0.627 4.574 3.960 -0.021 0.000 0.278 409 G C -1.039 173.979 174.900 0.197 0.000 1.353 409 G CA -0.985 44.226 45.100 0.185 0.000 1.043 409 G HN 0.646 nan 8.290 nan 0.000 0.523 410 L N -0.024 121.171 121.223 -0.047 0.000 2.333 410 L HA 0.487 4.814 4.340 -0.021 0.000 0.280 410 L C -1.337 175.253 176.870 -0.468 0.000 1.004 410 L CA -0.506 54.186 54.840 -0.247 0.000 0.820 410 L CB 1.990 43.851 42.059 -0.330 0.000 1.247 410 L HN 0.324 nan 8.230 nan 0.000 0.416 411 F N 2.997 122.780 119.950 -0.278 0.000 2.325 411 F HA 0.411 4.925 4.527 -0.020 0.000 0.369 411 F C -0.264 175.324 175.800 -0.353 0.000 1.095 411 F CA -0.363 57.533 58.000 -0.172 0.000 1.082 411 F CB 0.781 39.730 39.000 -0.086 0.000 1.289 411 F HN 0.183 nan 8.300 nan 0.000 0.462 412 F N 2.855 122.841 119.950 0.059 0.000 2.404 412 F HA 0.309 4.824 4.527 -0.021 0.000 0.358 412 F C 1.177 177.030 175.800 0.088 0.000 1.120 412 F CA -0.267 57.742 58.000 0.015 0.000 1.144 412 F CB 0.937 39.944 39.000 0.013 0.000 1.133 412 F HN 0.398 nan 8.300 nan 0.000 0.495 413 E N 2.246 122.589 120.200 0.239 0.000 2.548 413 E HA 0.286 4.623 4.350 -0.021 0.000 0.206 413 E C 0.633 177.371 176.600 0.230 0.000 1.005 413 E CA -0.105 56.412 56.400 0.195 0.000 0.951 413 E CB 0.970 30.744 29.700 0.122 0.000 1.035 413 E HN 0.792 nan 8.360 nan 0.000 0.470 414 G N 0.110 109.119 108.800 0.348 0.000 2.645 414 G HA2 0.260 4.207 3.960 -0.021 0.000 0.292 414 G HA3 0.260 4.207 3.960 -0.021 0.000 0.292 414 G C -1.444 173.683 174.900 0.378 0.000 1.415 414 G CA -0.745 44.551 45.100 0.328 0.000 0.785 414 G HN -0.188 nan 8.290 nan 0.000 0.483 415 D N 0.338 120.849 120.400 0.186 0.000 2.317 415 D HA 0.456 5.083 4.640 -0.021 0.000 0.252 415 D C -0.986 175.322 176.300 0.013 0.000 1.174 415 D CA 0.812 54.874 54.000 0.104 0.000 0.866 415 D CB 1.143 41.952 40.800 0.014 0.000 1.127 415 D HN 0.176 nan 8.370 nan 0.000 0.467 416 Y N 0.261 120.559 120.300 -0.003 0.000 2.545 416 Y HA 0.226 4.764 4.550 -0.021 0.000 0.348 416 Y C 0.327 176.188 175.900 -0.065 0.000 1.002 416 Y CA -0.964 57.140 58.100 0.007 0.000 1.039 416 Y CB 1.976 40.478 38.460 0.070 0.000 1.271 416 Y HN 0.210 nan 8.280 nan 0.000 0.467 417 E N 1.784 122.054 120.200 0.116 0.000 2.179 417 E HA 0.652 4.990 4.350 -0.021 0.000 0.275 417 E C -1.862 174.792 176.600 0.089 0.000 0.945 417 E CA -0.653 55.783 56.400 0.060 0.000 0.792 417 E CB 1.458 31.172 29.700 0.023 0.000 1.125 417 E HN 0.450 nan 8.360 nan 0.000 0.397 418 V N 5.388 125.298 119.914 -0.006 0.000 2.448 418 V HA 0.435 4.543 4.120 -0.021 0.000 0.295 418 V C -0.270 175.704 176.094 -0.200 0.000 1.025 418 V CA -0.608 61.639 62.300 -0.088 0.000 0.859 418 V CB 1.306 32.977 31.823 -0.253 0.000 0.988 418 V HN 0.711 nan 8.190 nan 0.000 0.431 419 K N 2.898 123.219 120.400 -0.131 0.000 2.522 419 K HA 0.888 5.195 4.320 -0.021 0.000 0.275 419 K C -0.334 176.199 176.600 -0.112 0.000 1.006 419 K CA -0.846 55.356 56.287 -0.142 0.000 0.890 419 K CB 2.545 34.999 32.500 -0.076 0.000 1.475 419 K HN 0.697 nan 8.250 nan 0.000 0.441 420 G N -0.791 107.934 108.800 -0.123 0.000 2.568 420 G HA2 0.300 4.247 3.960 -0.021 0.000 0.313 420 G HA3 0.300 4.247 3.960 -0.021 0.000 0.313 420 G C 0.251 175.107 174.900 -0.072 0.000 1.227 420 G CA -0.390 44.651 45.100 -0.099 0.000 0.979 420 G HN 0.612 nan 8.290 nan 0.000 0.486 421 T N -0.724 113.797 114.554 -0.055 0.000 2.915 421 T HA 0.084 4.422 4.350 -0.021 0.000 0.269 421 T C 0.975 175.640 174.700 -0.059 0.000 1.071 421 T CA 1.631 63.706 62.100 -0.042 0.000 1.132 421 T CB -0.237 68.614 68.868 -0.028 0.000 0.878 421 T HN 0.356 nan 8.240 nan 0.000 0.479 422 S N 0.181 115.829 115.700 -0.087 0.000 2.634 422 S HA 0.388 4.845 4.470 -0.021 0.000 0.296 422 S C 0.064 174.569 174.600 -0.158 0.000 1.104 422 S CA -0.871 57.269 58.200 -0.101 0.000 0.920 422 S CB 1.850 64.994 63.200 -0.093 0.000 1.111 422 S HN 0.161 nan 8.310 nan 0.000 0.493 423 D N 1.929 122.234 120.400 -0.159 0.000 2.149 423 D HA -0.090 4.538 4.640 -0.021 0.000 0.198 423 D C 1.753 177.754 176.300 -0.499 0.000 0.990 423 D CA 1.688 55.549 54.000 -0.230 0.000 0.839 423 D CB -0.201 40.523 40.800 -0.127 0.000 0.948 423 D HN 0.537 nan 8.370 nan 0.000 0.460 424 S N -0.983 114.499 115.700 -0.364 0.000 2.556 424 S HA 0.063 4.520 4.470 -0.021 0.000 0.216 424 S C 0.773 175.197 174.600 -0.293 0.000 0.970 424 S CA -0.364 57.591 58.200 -0.407 0.000 0.912 424 S CB -0.119 63.012 63.200 -0.116 0.000 0.790 424 S HN -0.094 nan 8.310 nan 0.000 0.504 425 T N 4.401 118.802 114.554 -0.255 0.000 2.905 425 T HA 0.268 4.605 4.350 -0.021 0.000 0.299 425 T C 0.485 175.109 174.700 -0.126 0.000 1.024 425 T CA 0.602 62.606 62.100 -0.160 0.000 1.151 425 T CB 0.401 69.184 68.868 -0.142 0.000 0.987 425 T HN 0.634 nan 8.240 nan 0.000 0.535 426 T N 0.827 115.349 114.554 -0.054 0.000 2.918 426 T HA 0.612 4.950 4.350 -0.021 0.000 0.286 426 T C -1.081 173.661 174.700 0.071 0.000 1.026 426 T CA -1.089 61.032 62.100 0.034 0.000 1.031 426 T CB 1.408 70.294 68.868 0.030 0.000 1.046 426 T HN 0.728 nan 8.240 nan 0.000 0.479 427 W N 1.783 123.070 121.300 -0.021 0.000 2.736 427 W HA 0.698 5.346 4.660 -0.021 0.000 0.335 427 W C -0.983 175.583 176.519 0.078 0.000 1.059 427 W CA -0.872 56.473 57.345 0.000 0.000 1.226 427 W CB 1.447 30.957 29.460 0.082 0.000 1.416 427 W HN 0.913 nan 8.180 nan 0.000 0.505 428 K N 4.393 124.194 120.400 -0.998 0.000 2.468 428 K HA 0.759 5.067 4.320 -0.021 0.000 0.252 428 K C -0.564 175.074 176.600 -1.603 0.000 0.932 428 K CA -0.582 55.075 56.287 -1.051 0.000 0.794 428 K CB 1.742 33.922 32.500 -0.532 0.000 1.241 428 K HN 0.815 nan 8.250 nan 0.000 0.428 429 G N 0.683 108.630 108.800 -1.422 0.000 2.428 429 G HA2 0.411 4.359 3.960 -0.021 0.000 0.304 429 G HA3 0.411 4.359 3.960 -0.021 0.000 0.304 429 G C -0.154 174.513 174.900 -0.390 0.000 1.303 429 G CA -0.091 44.531 45.100 -0.798 0.000 0.825 429 G HN 0.542 nan 8.290 nan 0.000 0.484 430 A N -1.493 121.186 122.820 -0.235 0.000 1.969 430 A HA 0.553 4.861 4.320 -0.021 0.000 0.218 430 A C 1.510 178.615 177.584 -0.798 0.000 1.169 430 A CA 2.454 54.256 52.037 -0.392 0.000 0.635 430 A CB -0.571 18.241 19.000 -0.314 0.000 0.810 430 A HN 2.532 nan 8.150 nan 0.000 0.445 431 G N -3.450 104.883 108.800 -0.779 0.000 2.320 431 G HA2 0.419 4.367 3.960 -0.021 0.000 0.297 431 G HA3 0.419 4.367 3.960 -0.021 0.000 0.297 431 G C -1.670 172.990 174.900 -0.400 0.000 1.344 431 G CA -0.085 44.568 45.100 -0.745 0.000 0.851 431 G HN 0.606 nan 8.290 nan 0.000 0.567 432 V N 0.654 120.474 119.914 -0.157 0.000 2.443 432 V HA 0.698 4.805 4.120 -0.021 0.000 0.293 432 V C 0.201 176.323 176.094 0.047 0.000 1.021 432 V CA -0.516 61.706 62.300 -0.131 0.000 0.848 432 V CB 1.354 32.918 31.823 -0.432 0.000 0.998 432 V HN 1.012 nan 8.190 nan 0.000 0.424 433 S N 4.371 120.096 115.700 0.042 0.000 2.462 433 S HA 0.750 5.207 4.470 -0.021 0.000 0.294 433 S C -0.752 173.935 174.600 0.144 0.000 1.144 433 S CA -0.428 57.792 58.200 0.034 0.000 1.088 433 S CB 1.316 64.459 63.200 -0.096 0.000 1.009 433 S HN 0.499 nan 8.310 nan 0.000 0.484 434 V N 4.511 124.493 119.914 0.113 0.000 2.444 434 V HA 0.680 4.788 4.120 -0.021 0.000 0.294 434 V C 0.603 176.765 176.094 0.113 0.000 1.022 434 V CA -0.901 61.485 62.300 0.143 0.000 0.850 434 V CB 0.986 32.846 31.823 0.062 0.000 0.992 434 V HN 1.083 nan 8.190 nan 0.000 0.426 435 A N 3.014 125.918 122.820 0.140 0.000 2.406 435 A HA 0.346 4.654 4.320 -0.021 0.000 0.243 435 A C 0.309 177.937 177.584 0.074 0.000 1.082 435 A CA -0.157 51.943 52.037 0.104 0.000 0.786 435 A CB 0.069 19.137 19.000 0.113 0.000 1.029 435 A HN 0.893 nan 8.150 nan 0.000 0.495 436 D N 0.168 120.600 120.400 0.054 0.000 2.586 436 D HA 0.296 4.924 4.640 -0.021 0.000 0.234 436 D C 1.440 177.764 176.300 0.041 0.000 1.132 436 D CA 2.233 56.256 54.000 0.039 0.000 0.860 436 D CB 0.075 40.892 40.800 0.028 0.000 1.159 436 D HN 1.279 nan 8.370 nan 0.000 0.490 437 G N 2.965 111.785 108.800 0.034 0.000 2.205 437 G HA2 -0.245 3.703 3.960 -0.021 0.000 0.261 437 G HA3 -0.245 3.703 3.960 -0.021 0.000 0.261 437 G C 0.330 175.254 174.900 0.040 0.000 0.980 437 G CA 0.447 45.566 45.100 0.032 0.000 0.632 437 G HN 0.540 nan 8.290 nan 0.000 0.533 438 K N 0.571 121.004 120.400 0.054 0.000 2.106 438 K HA 0.768 5.076 4.320 -0.021 0.000 0.246 438 K C -0.214 176.416 176.600 0.050 0.000 0.987 438 K CA -0.208 56.120 56.287 0.068 0.000 0.904 438 K CB 1.361 33.928 32.500 0.112 0.000 1.071 438 K HN 0.119 nan 8.250 nan 0.000 0.453 439 T N 0.361 114.941 114.554 0.044 0.000 2.879 439 T HA 0.379 4.716 4.350 -0.021 0.000 0.290 439 T C -0.841 173.859 174.700 -0.001 0.000 0.993 439 T CA -0.627 61.484 62.100 0.018 0.000 0.975 439 T CB 1.515 70.392 68.868 0.016 0.000 0.981 439 T HN 0.120 nan 8.240 nan 0.000 0.439 440 V N 3.449 123.333 119.914 -0.049 0.000 2.409 440 V HA 0.430 4.538 4.120 -0.021 0.000 0.291 440 V C 0.258 176.336 176.094 -0.026 0.000 1.020 440 V CA -0.698 61.527 62.300 -0.124 0.000 0.848 440 V CB 1.892 33.472 31.823 -0.405 0.000 0.990 440 V HN 0.976 nan 8.190 nan 0.000 0.430 441 T N 5.573 120.132 114.554 0.009 0.000 2.743 441 T HA 0.229 4.567 4.350 -0.021 0.000 0.293 441 T C -0.581 174.191 174.700 0.121 0.000 0.945 441 T CA -0.069 62.069 62.100 0.064 0.000 1.030 441 T CB 0.395 69.282 68.868 0.032 0.000 0.912 441 T HN 0.702 nan 8.240 nan 0.000 0.483 442 W N 4.650 125.915 121.300 -0.058 0.000 2.336 442 W HA 0.356 5.004 4.660 -0.021 0.000 0.315 442 W C -0.347 176.168 176.519 -0.006 0.000 1.016 442 W CA -0.865 56.452 57.345 -0.046 0.000 1.318 442 W CB 0.821 30.262 29.460 -0.031 0.000 1.247 442 W HN 0.679 nan 8.180 nan 0.000 0.414 443 K N 4.217 124.460 120.400 -0.261 0.000 2.414 443 K HA 0.089 4.396 4.320 -0.021 0.000 0.204 443 K C 0.369 176.821 176.600 -0.247 0.000 1.026 443 K CA -0.046 56.142 56.287 -0.166 0.000 1.108 443 K CB 0.973 33.406 32.500 -0.111 0.000 0.855 443 K HN 0.270 nan 8.250 nan 0.000 0.517 444 V N -2.299 117.317 119.914 -0.497 0.000 2.966 444 V HA 0.397 4.505 4.120 -0.021 0.000 0.317 444 V C 0.020 176.122 176.094 0.013 0.000 1.070 444 V CA -0.934 61.168 62.300 -0.330 0.000 1.008 444 V CB 1.202 32.759 31.823 -0.444 0.000 1.070 444 V HN 0.116 nan 8.190 nan 0.000 0.457 445 H N 1.382 120.426 119.070 -0.043 0.000 2.500 445 H HA 0.515 5.058 4.556 -0.021 0.000 0.351 445 H C -0.236 175.198 175.328 0.178 0.000 1.281 445 H CA -0.130 55.943 56.048 0.042 0.000 1.368 445 H CB 1.315 31.072 29.762 -0.007 0.000 1.616 445 H HN 0.958 nan 8.280 nan 0.000 0.591 446 N N -0.357 118.541 118.700 0.330 0.000 2.321 446 N HA 0.347 5.075 4.740 -0.021 0.000 0.290 446 N C -3.227 172.373 175.510 0.150 0.000 1.212 446 N CA -1.886 51.332 53.050 0.280 0.000 0.767 446 N CB 2.400 41.124 38.487 0.396 0.000 1.494 446 N HN 0.153 nan 8.380 nan 0.000 0.479 447 P HA 0.016 nan 4.420 nan 0.000 0.272 447 P C -0.715 176.601 177.300 0.027 0.000 1.223 447 P CA -0.217 62.893 63.100 0.017 0.000 0.784 447 P CB 0.502 32.170 31.700 -0.054 0.000 0.923 448 K N 1.840 122.249 120.400 0.016 0.000 2.530 448 K HA -0.027 4.281 4.320 -0.021 0.000 0.280 448 K C 0.271 176.876 176.600 0.010 0.000 1.004 448 K CA 1.122 57.420 56.287 0.018 0.000 1.071 448 K CB -0.450 32.054 32.500 0.007 0.000 0.876 448 K HN 0.525 nan 8.250 nan 0.000 0.487 449 S N 0.757 116.472 115.700 0.024 0.000 2.691 449 S HA -0.231 4.227 4.470 -0.021 0.000 0.262 449 S C -0.225 174.380 174.600 0.009 0.000 1.284 449 S CA 1.419 59.629 58.200 0.016 0.000 1.372 449 S CB -1.350 61.852 63.200 0.002 0.000 1.693 449 S HN 1.001 nan 8.310 nan 0.000 0.647 450 D N 1.334 121.740 120.400 0.010 0.000 2.304 450 D HA 0.411 5.039 4.640 -0.021 0.000 0.250 450 D C 0.170 176.486 176.300 0.026 0.000 1.107 450 D CA -0.137 53.861 54.000 -0.004 0.000 0.885 450 D CB 0.566 41.352 40.800 -0.023 0.000 1.192 450 D HN 0.241 nan 8.370 nan 0.000 0.436 451 R N 3.618 124.118 120.500 -0.001 0.000 2.233 451 R HA 0.296 4.623 4.340 -0.021 0.000 0.334 451 R C -0.477 175.815 176.300 -0.014 0.000 1.037 451 R CA -0.831 55.263 56.100 -0.009 0.000 0.920 451 R CB 0.864 31.153 30.300 -0.020 0.000 1.137 451 R HN 0.488 nan 8.270 nan 0.000 0.492 452 L N 2.790 124.016 121.223 0.004 0.000 2.477 452 L HA 0.201 4.528 4.340 -0.021 0.000 0.272 452 L C -0.104 176.726 176.870 -0.066 0.000 1.157 452 L CA 0.063 54.922 54.840 0.030 0.000 0.889 452 L CB 0.511 42.626 42.059 0.093 0.000 1.158 452 L HN 0.677 nan 8.230 nan 0.000 0.473 453 A N 5.446 128.243 122.820 -0.039 0.000 2.269 453 A HA 0.419 4.727 4.320 -0.021 0.000 0.302 453 A C -0.473 177.103 177.584 -0.013 0.000 1.266 453 A CA -0.632 51.396 52.037 -0.014 0.000 0.894 453 A CB 0.615 19.648 19.000 0.054 0.000 1.147 453 A HN 0.639 nan 8.150 nan 0.000 0.537 454 K N 3.560 123.935 120.400 -0.041 0.000 2.240 454 K HA 0.636 4.944 4.320 -0.021 0.000 0.271 454 K C -0.572 176.039 176.600 0.019 0.000 1.018 454 K CA -0.338 55.917 56.287 -0.052 0.000 0.874 454 K CB 0.265 32.684 32.500 -0.135 0.000 1.098 454 K HN 0.723 nan 8.250 nan 0.000 0.458 455 I N -0.361 120.245 120.570 0.061 0.000 3.516 455 I HA 0.916 5.074 4.170 -0.021 0.000 0.297 455 I C 0.053 176.177 176.117 0.013 0.000 1.139 455 I CA -0.913 60.404 61.300 0.030 0.000 1.020 455 I CB 1.694 39.698 38.000 0.007 0.000 1.341 455 I HN 0.736 nan 8.210 nan 0.000 0.490 456 G N 1.351 110.154 108.800 0.005 0.000 2.721 456 G HA2 -0.165 3.782 3.960 -0.021 0.000 0.686 456 G HA3 -0.165 3.782 3.960 -0.021 0.000 0.686 456 G C -0.251 174.660 174.900 0.018 0.000 1.236 456 G CA -0.080 45.034 45.100 0.024 0.000 0.786 456 G HN 0.897 nan 8.290 nan 0.000 0.616 457 K N 0.657 121.069 120.400 0.021 0.000 2.432 457 K HA 0.118 4.426 4.320 -0.021 0.000 0.196 457 K C 1.935 178.547 176.600 0.019 0.000 1.038 457 K CA 0.674 56.971 56.287 0.016 0.000 0.986 457 K CB 0.123 32.632 32.500 0.015 0.000 0.782 457 K HN 0.774 nan 8.250 nan 0.000 0.485 458 G N 0.396 109.213 108.800 0.028 0.000 2.588 458 G HA2 0.117 4.064 3.960 -0.021 0.000 0.278 458 G HA3 0.117 4.064 3.960 -0.021 0.000 0.278 458 G C -0.527 174.380 174.900 0.013 0.000 1.307 458 G CA -0.413 44.705 45.100 0.029 0.000 1.016 458 G HN -0.033 nan 8.290 nan 0.000 0.503 459 T N 0.100 114.660 114.554 0.010 0.000 2.824 459 T HA 0.417 4.755 4.350 -0.021 0.000 0.280 459 T C -0.702 173.988 174.700 -0.018 0.000 0.995 459 T CA -0.185 61.915 62.100 -0.000 0.000 1.009 459 T CB 1.552 70.426 68.868 0.010 0.000 0.955 459 T HN 0.300 nan 8.240 nan 0.000 0.452 460 L N 4.760 125.964 121.223 -0.032 0.000 2.280 460 L HA 0.576 4.903 4.340 -0.021 0.000 0.287 460 L C -0.943 175.934 176.870 0.012 0.000 1.023 460 L CA -0.408 54.403 54.840 -0.048 0.000 0.819 460 L CB 0.452 42.432 42.059 -0.132 0.000 1.212 460 L HN 0.621 nan 8.230 nan 0.000 0.420 461 I N 6.142 126.741 120.570 0.049 0.000 2.291 461 I HA 0.248 4.405 4.170 -0.021 0.000 0.290 461 I C -0.441 175.758 176.117 0.137 0.000 1.050 461 I CA -0.744 60.601 61.300 0.074 0.000 1.245 461 I CB 1.300 39.333 38.000 0.054 0.000 1.405 461 I HN 0.222 nan 8.210 nan 0.000 0.478 462 V N 6.639 126.646 119.914 0.155 0.000 2.408 462 V HA 0.138 4.246 4.120 -0.021 0.000 0.267 462 V C 0.668 176.831 176.094 0.115 0.000 1.047 462 V CA 0.054 62.480 62.300 0.210 0.000 0.937 462 V CB 0.909 32.879 31.823 0.245 0.000 0.999 462 V HN 0.802 nan 8.190 nan 0.000 0.472 463 E N 3.415 123.677 120.200 0.102 0.000 3.521 463 E HA 0.318 4.655 4.350 -0.021 0.000 0.183 463 E C 0.608 177.224 176.600 0.028 0.000 0.981 463 E CA -0.170 56.260 56.400 0.049 0.000 1.349 463 E CB 0.541 30.266 29.700 0.042 0.000 1.102 463 E HN 0.822 nan 8.360 nan 0.000 0.449 464 G N 0.718 109.537 108.800 0.033 0.000 2.588 464 G HA2 0.280 4.227 3.960 -0.021 0.000 0.278 464 G HA3 0.280 4.227 3.960 -0.021 0.000 0.278 464 G C -0.349 174.576 174.900 0.042 0.000 1.307 464 G CA -0.370 44.752 45.100 0.036 0.000 1.016 464 G HN 0.056 nan 8.290 nan 0.000 0.503 465 K N -0.511 119.935 120.400 0.076 0.000 2.259 465 K HA 0.585 4.893 4.320 -0.021 0.000 0.252 465 K C 0.373 177.058 176.600 0.140 0.000 0.936 465 K CA 0.249 56.574 56.287 0.062 0.000 0.810 465 K CB 1.841 34.352 32.500 0.017 0.000 1.143 465 K HN 1.140 nan 8.250 nan 0.000 0.427 466 G N 1.720 110.558 108.800 0.063 0.000 2.632 466 G HA2 -0.239 3.708 3.960 -0.021 0.000 0.224 466 G HA3 -0.239 3.708 3.960 -0.021 0.000 0.224 466 G C -1.058 173.824 174.900 -0.030 0.000 1.341 466 G CA -0.694 44.438 45.100 0.054 0.000 0.880 466 G HN 0.617 nan 8.290 nan 0.000 0.566 467 E N 0.910 121.076 120.200 -0.057 0.000 2.044 467 E HA 0.331 4.669 4.350 -0.021 0.000 0.282 467 E C 0.088 176.450 176.600 -0.397 0.000 1.031 467 E CA -0.554 55.746 56.400 -0.167 0.000 0.824 467 E CB 0.810 30.460 29.700 -0.084 0.000 1.076 467 E HN 0.468 nan 8.360 nan 0.000 0.395 468 N N 2.875 121.185 118.700 -0.650 0.000 2.442 468 N HA -0.015 4.713 4.740 -0.021 0.000 0.265 468 N C 0.265 175.589 175.510 -0.311 0.000 1.138 468 N CA 0.210 52.781 53.050 -0.798 0.000 0.956 468 N CB 0.735 38.754 38.487 -0.780 0.000 1.067 468 N HN 0.280 nan 8.380 nan 0.000 0.474 469 K N 1.737 122.039 120.400 -0.163 0.000 2.365 469 K HA 0.120 4.427 4.320 -0.021 0.000 0.197 469 K C 1.093 177.712 176.600 0.031 0.000 1.042 469 K CA 0.144 56.407 56.287 -0.041 0.000 0.987 469 K CB 0.126 32.620 32.500 -0.010 0.000 0.779 469 K HN 0.606 nan 8.250 nan 0.000 0.484 470 G N 0.589 109.432 108.800 0.071 0.000 2.684 470 G HA2 0.165 4.113 3.960 -0.021 0.000 0.255 470 G HA3 0.165 4.113 3.960 -0.021 0.000 0.255 470 G C -0.398 174.699 174.900 0.329 0.000 1.219 470 G CA -0.460 44.752 45.100 0.186 0.000 0.901 470 G HN 0.027 nan 8.290 nan 0.000 0.548 471 S N -1.451 114.408 115.700 0.265 0.000 2.726 471 S HA 0.683 5.141 4.470 -0.021 0.000 0.308 471 S C -0.988 173.551 174.600 -0.101 0.000 1.115 471 S CA -0.471 57.821 58.200 0.154 0.000 0.965 471 S CB 1.742 64.986 63.200 0.072 0.000 1.145 471 S HN 0.679 nan 8.310 nan 0.000 0.532 472 L N 1.197 122.165 121.223 -0.425 0.000 2.422 472 L HA 0.648 4.975 4.340 -0.021 0.000 0.264 472 L C -1.638 175.001 176.870 -0.385 0.000 0.984 472 L CA -0.241 54.201 54.840 -0.664 0.000 0.819 472 L CB 1.611 42.796 42.059 -1.457 0.000 1.330 472 L HN 0.549 nan 8.230 nan 0.000 0.410 473 K N 4.043 124.280 120.400 -0.271 0.000 2.463 473 K HA 0.647 4.955 4.320 -0.021 0.000 0.255 473 K C -1.568 174.930 176.600 -0.171 0.000 0.942 473 K CA -0.746 55.429 56.287 -0.187 0.000 0.814 473 K CB 2.257 34.731 32.500 -0.044 0.000 1.122 473 K HN 0.420 nan 8.250 nan 0.000 0.425 474 V N 2.281 122.080 119.914 -0.192 0.000 2.347 474 V HA 0.271 4.378 4.120 -0.021 0.000 0.280 474 V C 0.893 176.945 176.094 -0.069 0.000 1.021 474 V CA -0.323 61.894 62.300 -0.140 0.000 0.847 474 V CB 1.255 32.980 31.823 -0.164 0.000 0.990 474 V HN 1.087 nan 8.190 nan 0.000 0.444 475 G N 2.843 111.629 108.800 -0.024 0.000 2.709 475 G HA2 0.178 4.126 3.960 -0.021 0.000 0.208 475 G HA3 0.178 4.126 3.960 -0.021 0.000 0.208 475 G C -0.005 174.897 174.900 0.004 0.000 1.129 475 G CA 0.291 45.397 45.100 0.011 0.000 0.793 475 G HN 0.615 nan 8.290 nan 0.000 0.524 476 D N -2.453 117.942 120.400 -0.008 0.000 2.623 476 D HA 0.474 5.101 4.640 -0.021 0.000 0.241 476 D C 0.635 176.929 176.300 -0.010 0.000 1.241 476 D CA 0.833 54.830 54.000 -0.005 0.000 0.788 476 D CB 1.321 42.120 40.800 -0.002 0.000 1.413 476 D HN 0.625 nan 8.370 nan 0.000 0.429 477 G N 0.912 109.711 108.800 -0.003 0.000 2.552 477 G HA2 -0.124 3.824 3.960 -0.021 0.000 0.265 477 G HA3 -0.124 3.824 3.960 -0.021 0.000 0.265 477 G C -0.533 174.366 174.900 -0.003 0.000 1.234 477 G CA 0.287 45.387 45.100 0.000 0.000 0.944 477 G HN 0.718 nan 8.290 nan 0.000 0.568 478 T N -0.208 114.345 114.554 -0.003 0.000 2.863 478 T HA 0.605 4.943 4.350 -0.021 0.000 0.285 478 T C -0.394 174.297 174.700 -0.015 0.000 1.009 478 T CA -0.197 61.904 62.100 0.001 0.000 0.989 478 T CB 2.143 71.022 68.868 0.019 0.000 1.004 478 T HN 1.008 nan 8.240 nan 0.000 0.455 479 V N 3.932 123.834 119.914 -0.021 0.000 2.448 479 V HA 0.505 4.612 4.120 -0.021 0.000 0.295 479 V C -0.370 175.733 176.094 0.014 0.000 1.025 479 V CA -0.799 61.490 62.300 -0.018 0.000 0.859 479 V CB 1.502 33.293 31.823 -0.054 0.000 0.988 479 V HN 0.777 nan 8.190 nan 0.000 0.431 480 I N 5.662 126.253 120.570 0.035 0.000 2.336 480 I HA 0.385 4.542 4.170 -0.021 0.000 0.292 480 I C -0.414 175.745 176.117 0.071 0.000 0.991 480 I CA -0.434 60.893 61.300 0.046 0.000 1.227 480 I CB 1.442 39.467 38.000 0.041 0.000 1.366 480 I HN 0.340 nan 8.210 nan 0.000 0.466 481 L N 7.482 128.747 121.223 0.070 0.000 2.268 481 L HA 0.354 4.682 4.340 -0.021 0.000 0.289 481 L C 0.517 177.417 176.870 0.051 0.000 1.064 481 L CA -0.083 54.809 54.840 0.088 0.000 0.824 481 L CB 0.476 42.594 42.059 0.097 0.000 1.202 481 L HN 0.620 nan 8.230 nan 0.000 0.433 482 K N 2.739 123.166 120.400 0.046 0.000 2.972 482 K HA 0.127 4.434 4.320 -0.021 0.000 0.209 482 K C 0.038 176.647 176.600 0.015 0.000 1.128 482 K CA -0.478 55.825 56.287 0.027 0.000 1.024 482 K CB 0.648 33.167 32.500 0.032 0.000 0.754 482 K HN 0.437 nan 8.250 nan 0.000 0.454 483 Q N 1.638 121.437 119.800 -0.001 0.000 2.349 483 Q HA -0.038 4.289 4.340 -0.021 0.000 0.287 483 Q C -0.797 175.195 176.000 -0.014 0.000 1.044 483 Q CA 1.108 56.898 55.803 -0.022 0.000 0.918 483 Q CB 0.669 29.365 28.738 -0.071 0.000 1.242 483 Q HN 0.283 nan 8.270 nan 0.000 0.405 484 Q N 1.374 121.169 119.800 -0.007 0.000 2.248 484 Q HA 0.701 5.029 4.340 -0.021 0.000 0.263 484 Q C -0.933 175.064 176.000 -0.005 0.000 1.007 484 Q CA -0.924 54.876 55.803 -0.005 0.000 0.877 484 Q CB 1.627 30.365 28.738 -0.001 0.000 1.315 484 Q HN 0.773 nan 8.270 nan 0.000 0.454 485 A N 1.716 124.532 122.820 -0.007 0.000 2.425 485 A HA 0.211 4.519 4.320 -0.021 0.000 0.249 485 A C -0.224 177.360 177.584 -0.001 0.000 1.084 485 A CA -0.427 51.606 52.037 -0.006 0.000 0.781 485 A CB 0.028 19.024 19.000 -0.008 0.000 1.019 485 A HN 0.766 nan 8.150 nan 0.000 0.490 486 D N 1.262 121.664 120.400 0.003 0.000 2.440 486 D HA 0.413 5.041 4.640 -0.021 0.000 0.269 486 D C 1.117 177.416 176.300 -0.002 0.000 1.249 486 D CA 0.127 54.130 54.000 0.003 0.000 1.055 486 D CB 0.218 41.025 40.800 0.012 0.000 1.104 486 D HN 0.412 nan 8.370 nan 0.000 0.561 487 A N -0.700 122.118 122.820 -0.004 0.000 2.070 487 A HA -0.157 4.151 4.320 -0.021 0.000 0.220 487 A C 1.420 179.001 177.584 -0.005 0.000 1.159 487 A CA 1.156 53.190 52.037 -0.005 0.000 0.656 487 A CB -1.072 17.924 19.000 -0.007 0.000 0.800 487 A HN 0.635 nan 8.150 nan 0.000 0.453 488 N N 0.118 118.816 118.700 -0.003 0.000 2.268 488 N HA 0.050 4.777 4.740 -0.021 0.000 0.204 488 N C -0.309 175.198 175.510 -0.004 0.000 1.124 488 N CA 0.067 53.115 53.050 -0.003 0.000 0.838 488 N CB 0.227 38.713 38.487 -0.002 0.000 0.994 488 N HN 0.322 nan 8.380 nan 0.000 0.489 489 N N 0.353 119.050 118.700 -0.005 0.000 2.782 489 N HA -0.151 4.576 4.740 -0.021 0.000 0.251 489 N C -1.075 174.430 175.510 -0.009 0.000 1.101 489 N CA 1.008 54.054 53.050 -0.007 0.000 0.764 489 N CB -0.773 37.710 38.487 -0.007 0.000 1.122 489 N HN 0.281 nan 8.380 nan 0.000 0.561 490 K N 0.706 121.102 120.400 -0.007 0.000 2.143 490 K HA 0.654 4.962 4.320 -0.021 0.000 0.272 490 K C 0.086 176.676 176.600 -0.016 0.000 1.001 490 K CA -0.510 55.770 56.287 -0.011 0.000 0.915 490 K CB 2.496 34.991 32.500 -0.007 0.000 1.047 490 K HN 0.024 nan 8.250 nan 0.000 0.458 491 V N 2.133 122.031 119.914 -0.028 0.000 2.817 491 V HA 0.517 4.625 4.120 -0.021 0.000 0.303 491 V C -1.775 174.283 176.094 -0.060 0.000 1.151 491 V CA -0.630 61.646 62.300 -0.040 0.000 0.929 491 V CB 1.839 33.644 31.823 -0.030 0.000 1.030 491 V HN 0.831 nan 8.190 nan 0.000 0.427 492 K N 5.034 125.376 120.400 -0.097 0.000 2.587 492 K HA 0.718 5.025 4.320 -0.021 0.000 0.256 492 K C 0.367 176.850 176.600 -0.195 0.000 0.974 492 K CA 0.175 56.395 56.287 -0.110 0.000 0.855 492 K CB 1.942 34.385 32.500 -0.095 0.000 1.292 492 K HN 0.845 nan 8.250 nan 0.000 0.444 493 A N 4.183 126.898 122.820 -0.175 0.000 1.872 493 A HA 0.219 4.527 4.320 -0.021 0.000 0.214 493 A C -0.140 176.996 177.584 -0.747 0.000 1.187 493 A CA 1.075 52.898 52.037 -0.357 0.000 0.614 493 A CB -0.130 18.808 19.000 -0.103 0.000 0.826 493 A HN 0.509 nan 8.150 nan 0.000 0.442 494 F N -3.864 116.062 119.950 -0.040 0.000 2.668 494 F HA 0.421 4.936 4.527 -0.021 0.000 0.309 494 F C 1.177 176.957 175.800 -0.033 0.000 1.117 494 F CA -0.161 57.819 58.000 -0.034 0.000 0.951 494 F CB 1.533 40.518 39.000 -0.025 0.000 1.323 494 F HN -0.129 nan 8.300 nan 0.000 0.451 495 S N -0.164 115.652 115.700 0.193 0.000 2.406 495 S HA -0.008 4.450 4.470 -0.021 0.000 0.228 495 S C 0.152 174.819 174.600 0.112 0.000 1.020 495 S CA 1.152 59.418 58.200 0.109 0.000 0.965 495 S CB -0.055 63.196 63.200 0.086 0.000 0.798 495 S HN 0.641 nan 8.310 nan 0.000 0.488 496 Q N -0.164 119.714 119.800 0.130 0.000 2.391 496 Q HA 0.568 4.896 4.340 -0.021 0.000 0.279 496 Q C -2.240 173.752 176.000 -0.012 0.000 1.028 496 Q CA -0.650 55.206 55.803 0.087 0.000 0.836 496 Q CB 2.186 31.000 28.738 0.128 0.000 1.414 496 Q HN 0.125 nan 8.270 nan 0.000 0.397 497 V N 2.192 122.040 119.914 -0.110 0.000 2.525 497 V HA 0.738 4.846 4.120 -0.021 0.000 0.299 497 V C -0.014 175.727 176.094 -0.589 0.000 1.034 497 V CA -0.367 61.744 62.300 -0.315 0.000 0.863 497 V CB 1.696 33.363 31.823 -0.261 0.000 0.999 497 V HN 0.814 nan 8.190 nan 0.000 0.423 498 G N 4.659 112.986 108.800 -0.789 0.000 2.356 498 G HA2 0.761 4.708 3.960 -0.021 0.000 0.322 498 G HA3 0.761 4.708 3.960 -0.021 0.000 0.322 498 G C -0.864 173.602 174.900 -0.722 0.000 1.125 498 G CA -0.522 43.711 45.100 -1.446 0.000 0.885 498 G HN 0.625 nan 8.290 nan 0.000 0.467 499 I N 2.252 122.433 120.570 -0.649 0.000 2.382 499 I HA 0.424 4.582 4.170 -0.021 0.000 0.285 499 I C -0.165 175.896 176.117 -0.094 0.000 1.007 499 I CA -0.936 60.167 61.300 -0.329 0.000 1.142 499 I CB 1.721 39.463 38.000 -0.430 0.000 1.289 499 I HN 0.367 nan 8.210 nan 0.000 0.453 500 V N 2.028 121.935 119.914 -0.012 0.000 3.078 500 V HA 0.761 4.869 4.120 -0.021 0.000 0.311 500 V C 0.459 176.604 176.094 0.086 0.000 1.138 500 V CA 0.074 62.432 62.300 0.097 0.000 1.007 500 V CB 1.624 33.552 31.823 0.175 0.000 1.045 500 V HN 0.997 nan 8.190 nan 0.000 0.432 501 S N 0.401 116.166 115.700 0.108 0.000 2.154 501 S HA -0.097 4.361 4.470 -0.021 0.000 0.247 501 S C 2.214 176.804 174.600 -0.017 0.000 1.170 501 S CA 1.627 59.874 58.200 0.079 0.000 1.419 501 S CB -1.876 61.377 63.200 0.089 0.000 1.768 501 S HN 3.276 nan 8.310 nan 0.000 0.587 502 G N 1.528 110.317 108.800 -0.018 0.000 2.225 502 G HA2 -0.343 3.605 3.960 -0.021 0.000 0.254 502 G HA3 -0.343 3.605 3.960 -0.021 0.000 0.254 502 G C 0.678 175.569 174.900 -0.015 0.000 0.988 502 G CA 0.762 45.840 45.100 -0.037 0.000 0.625 502 G HN 0.871 nan 8.290 nan 0.000 0.527 503 R N 0.673 121.171 120.500 -0.003 0.000 2.254 503 R HA 0.302 4.630 4.340 -0.021 0.000 0.195 503 R C 1.661 177.965 176.300 0.005 0.000 0.957 503 R CA 0.971 57.070 56.100 -0.002 0.000 1.024 503 R CB 0.204 30.504 30.300 -0.000 0.000 0.952 503 R HN 0.595 nan 8.270 nan 0.000 0.484 504 S N -0.527 115.178 115.700 0.009 0.000 2.747 504 S HA 0.508 4.965 4.470 -0.021 0.000 0.300 504 S C -0.209 174.402 174.600 0.018 0.000 1.121 504 S CA -0.566 57.636 58.200 0.004 0.000 0.995 504 S CB 2.485 65.674 63.200 -0.018 0.000 1.113 504 S HN -0.101 nan 8.310 nan 0.000 0.547 505 T N 0.927 115.488 114.554 0.011 0.000 2.971 505 T HA 0.543 4.881 4.350 -0.021 0.000 0.304 505 T C -1.289 173.408 174.700 -0.005 0.000 1.038 505 T CA -0.520 61.596 62.100 0.026 0.000 1.007 505 T CB 1.457 70.362 68.868 0.062 0.000 1.055 505 T HN 0.584 nan 8.240 nan 0.000 0.451 506 V N 3.582 123.484 119.914 -0.021 0.000 2.417 506 V HA 0.540 4.648 4.120 -0.021 0.000 0.291 506 V C -0.274 175.815 176.094 -0.008 0.000 1.024 506 V CA -0.678 61.600 62.300 -0.036 0.000 0.861 506 V CB 1.804 33.572 31.823 -0.092 0.000 0.985 506 V HN 0.725 nan 8.190 nan 0.000 0.436 507 V N 6.439 126.359 119.914 0.009 0.000 2.417 507 V HA 0.440 4.548 4.120 -0.021 0.000 0.291 507 V C -0.097 176.009 176.094 0.021 0.000 1.024 507 V CA -0.573 61.739 62.300 0.020 0.000 0.861 507 V CB 1.693 33.538 31.823 0.037 0.000 0.985 507 V HN 0.626 nan 8.190 nan 0.000 0.436 508 L N 4.016 125.249 121.223 0.017 0.000 2.260 508 L HA 0.358 4.686 4.340 -0.021 0.000 0.289 508 L C 1.361 178.241 176.870 0.016 0.000 1.057 508 L CA -0.235 54.614 54.840 0.016 0.000 0.811 508 L CB 0.599 42.662 42.059 0.007 0.000 1.184 508 L HN 0.696 nan 8.230 nan 0.000 0.429 509 N N 1.602 120.313 118.700 0.018 0.000 2.270 509 N HA -0.119 4.609 4.740 -0.021 0.000 0.181 509 N C -0.018 175.497 175.510 0.008 0.000 1.016 509 N CA 1.256 54.315 53.050 0.016 0.000 0.870 509 N CB 0.394 38.892 38.487 0.018 0.000 0.979 509 N HN 0.851 nan 8.380 nan 0.000 0.431 510 D N -2.385 118.016 120.400 0.002 0.000 2.812 510 D HA 0.108 4.735 4.640 -0.021 0.000 0.318 510 D C -0.619 175.671 176.300 -0.016 0.000 1.234 510 D CA -0.608 53.389 54.000 -0.007 0.000 0.989 510 D CB -0.094 40.701 40.800 -0.008 0.000 1.442 510 D HN 0.042 nan 8.370 nan 0.000 0.537 511 D N -1.310 119.076 120.400 -0.024 0.000 2.328 511 D HA 0.050 4.678 4.640 -0.021 0.000 0.226 511 D C 0.491 176.765 176.300 -0.042 0.000 1.066 511 D CA 0.134 54.110 54.000 -0.040 0.000 0.861 511 D CB -0.019 40.755 40.800 -0.044 0.000 0.912 511 D HN 0.383 nan 8.370 nan 0.000 0.521 512 K N -0.243 120.138 120.400 -0.031 0.000 2.358 512 K HA 0.135 4.442 4.320 -0.021 0.000 0.197 512 K C 1.575 178.156 176.600 -0.031 0.000 1.025 512 K CA -0.128 56.140 56.287 -0.031 0.000 1.104 512 K CB 0.562 33.047 32.500 -0.025 0.000 0.855 512 K HN -0.052 nan 8.250 nan 0.000 0.531 513 Q N 0.044 119.830 119.800 -0.025 0.000 2.062 513 Q HA 0.038 4.365 4.340 -0.021 0.000 0.196 513 Q C 0.755 176.751 176.000 -0.006 0.000 0.967 513 Q CA 0.915 56.710 55.803 -0.013 0.000 0.832 513 Q CB 0.283 29.027 28.738 0.010 0.000 0.899 513 Q HN 0.139 nan 8.270 nan 0.000 0.442 514 V N 0.740 120.646 119.914 -0.013 0.000 3.048 514 V HA 0.201 4.309 4.120 -0.021 0.000 0.303 514 V C -1.741 174.327 176.094 -0.043 0.000 1.214 514 V CA -1.018 61.280 62.300 -0.003 0.000 0.984 514 V CB 2.395 34.234 31.823 0.026 0.000 1.054 514 V HN 0.109 nan 8.190 nan 0.000 0.430 515 D N 5.842 126.222 120.400 -0.034 0.000 2.417 515 D HA 0.267 4.894 4.640 -0.021 0.000 0.250 515 D C -1.774 174.465 176.300 -0.101 0.000 1.166 515 D CA -1.499 52.463 54.000 -0.063 0.000 0.881 515 D CB 2.081 42.867 40.800 -0.022 0.000 1.164 515 D HN 0.312 nan 8.370 nan 0.000 0.467 516 P HA -0.108 nan 4.420 nan 0.000 0.218 516 P C 0.744 177.976 177.300 -0.112 0.000 1.148 516 P CA 0.850 63.684 63.100 -0.444 0.000 0.822 516 P CB 0.230 31.233 31.700 -1.161 0.000 0.784 517 N N -1.014 117.670 118.700 -0.027 0.000 2.512 517 N HA -0.063 4.664 4.740 -0.021 0.000 0.183 517 N C 1.295 176.892 175.510 0.145 0.000 1.073 517 N CA 1.168 54.300 53.050 0.137 0.000 0.911 517 N CB -0.395 38.160 38.487 0.114 0.000 0.964 517 N HN 0.260 nan 8.380 nan 0.000 0.447 518 S N -0.488 115.268 115.700 0.093 0.000 2.577 518 S HA 0.243 4.700 4.470 -0.021 0.000 0.219 518 S C 0.608 175.270 174.600 0.102 0.000 0.962 518 S CA -0.494 57.769 58.200 0.105 0.000 0.921 518 S CB -0.065 63.178 63.200 0.071 0.000 0.789 518 S HN 0.055 nan 8.310 nan 0.000 0.497 519 I N 2.710 123.336 120.570 0.093 0.000 2.440 519 I HA 0.441 4.598 4.170 -0.021 0.000 0.294 519 I C -0.459 175.695 176.117 0.062 0.000 0.995 519 I CA -1.249 60.044 61.300 -0.012 0.000 1.306 519 I CB 1.028 39.017 38.000 -0.019 0.000 1.407 519 I HN 0.410 nan 8.210 nan 0.000 0.501 520 Y N 3.440 123.666 120.300 -0.123 0.000 2.524 520 Y HA 0.651 5.188 4.550 -0.021 0.000 0.347 520 Y C -1.696 174.090 175.900 -0.190 0.000 1.005 520 Y CA -1.512 56.552 58.100 -0.059 0.000 1.025 520 Y CB 0.956 39.430 38.460 0.022 0.000 1.275 520 Y HN 0.238 nan 8.280 nan 0.000 0.460 521 F N 2.885 122.941 119.950 0.176 0.000 2.385 521 F HA 0.676 5.191 4.527 -0.021 0.000 0.360 521 F C 0.883 176.810 175.800 0.211 0.000 1.122 521 F CA -0.170 57.887 58.000 0.095 0.000 1.090 521 F CB 1.438 40.470 39.000 0.054 0.000 1.150 521 F HN 0.911 nan 8.300 nan 0.000 0.472 522 G N 2.243 111.284 108.800 0.403 0.000 2.773 522 G HA2 0.169 4.117 3.960 -0.021 0.000 0.186 522 G HA3 0.169 4.117 3.960 -0.021 0.000 0.186 522 G C -0.918 174.135 174.900 0.255 0.000 1.411 522 G CA -0.674 44.646 45.100 0.366 0.000 1.054 522 G HN 0.438 nan 8.290 nan 0.000 0.579 523 F N 1.307 121.323 119.950 0.109 0.000 2.549 523 F HA 0.126 4.641 4.527 -0.021 0.000 0.400 523 F C 1.702 177.543 175.800 0.068 0.000 1.011 523 F CA 0.693 58.737 58.000 0.073 0.000 1.148 523 F CB 0.141 39.195 39.000 0.091 0.000 0.993 523 F HN 0.615 nan 8.300 nan 0.000 0.540 524 R N 2.753 122.928 120.500 -0.542 0.000 4.010 524 R HA -0.255 4.072 4.340 -0.021 0.000 0.409 524 R C 1.238 177.450 176.300 -0.148 0.000 1.120 524 R CA 0.586 56.416 56.100 -0.449 0.000 1.244 524 R CB -2.232 27.707 30.300 -0.602 0.000 1.799 524 R HN 1.328 nan 8.270 nan 0.000 0.559 525 G N -0.726 108.076 108.800 0.004 0.000 2.634 525 G HA2 -0.063 3.885 3.960 -0.021 0.000 0.309 525 G HA3 -0.063 3.885 3.960 -0.021 0.000 0.309 525 G C 0.528 175.522 174.900 0.157 0.000 1.265 525 G CA 0.677 45.884 45.100 0.179 0.000 0.998 525 G HN 1.343 nan 8.290 nan 0.000 0.551 526 G N -2.214 106.702 108.800 0.193 0.000 2.339 526 G HA2 0.519 4.467 3.960 -0.021 0.000 0.275 526 G HA3 0.519 4.467 3.960 -0.021 0.000 0.275 526 G C -0.880 174.169 174.900 0.247 0.000 1.323 526 G CA 0.210 45.398 45.100 0.145 0.000 0.927 526 G HN 1.017 nan 8.290 nan 0.000 0.486 527 R N -0.766 119.845 120.500 0.184 0.000 2.514 527 R HA 0.648 4.976 4.340 -0.021 0.000 0.301 527 R C -1.018 175.395 176.300 0.189 0.000 0.962 527 R CA -0.748 55.463 56.100 0.185 0.000 0.882 527 R CB 2.022 32.369 30.300 0.079 0.000 1.143 527 R HN 0.488 nan 8.270 nan 0.000 0.452 528 L N 2.647 124.026 121.223 0.260 0.000 2.280 528 L HA 0.319 4.647 4.340 -0.021 0.000 0.287 528 L C -1.062 175.844 176.870 0.060 0.000 1.023 528 L CA -0.367 54.562 54.840 0.148 0.000 0.819 528 L CB 1.330 43.543 42.059 0.257 0.000 1.212 528 L HN 0.478 nan 8.230 nan 0.000 0.420 529 D N 3.968 124.359 120.400 -0.015 0.000 2.412 529 D HA 0.397 5.025 4.640 -0.021 0.000 0.224 529 D C 0.860 177.149 176.300 -0.019 0.000 1.093 529 D CA 0.197 54.141 54.000 -0.094 0.000 0.850 529 D CB 1.841 42.550 40.800 -0.151 0.000 1.046 529 D HN 0.664 nan 8.370 nan 0.000 0.507 530 A N 4.506 127.328 122.820 0.004 0.000 2.067 530 A HA -0.125 4.183 4.320 -0.021 0.000 0.219 530 A C 1.337 178.929 177.584 0.014 0.000 1.158 530 A CA 0.973 53.026 52.037 0.027 0.000 0.661 530 A CB -0.662 18.368 19.000 0.049 0.000 0.801 530 A HN 0.779 nan 8.150 nan 0.000 0.452 531 N N -2.780 115.925 118.700 0.008 0.000 2.740 531 N HA -0.176 4.552 4.740 -0.021 0.000 0.248 531 N C 0.768 176.291 175.510 0.022 0.000 1.062 531 N CA 1.766 54.830 53.050 0.023 0.000 0.704 531 N CB -1.649 36.854 38.487 0.026 0.000 0.968 531 N HN 1.569 nan 8.380 nan 0.000 0.547 532 G N -1.749 107.063 108.800 0.020 0.000 2.199 532 G HA2 -0.353 3.595 3.960 -0.021 0.000 0.254 532 G HA3 -0.353 3.595 3.960 -0.021 0.000 0.254 532 G C 0.124 175.027 174.900 0.005 0.000 0.982 532 G CA 0.361 45.469 45.100 0.014 0.000 0.632 532 G HN 0.746 nan 8.290 nan 0.000 0.529 533 N N 1.023 119.725 118.700 0.004 0.000 2.515 533 N HA 0.513 5.241 4.740 -0.021 0.000 0.279 533 N C -0.224 175.280 175.510 -0.010 0.000 1.164 533 N CA -0.475 52.572 53.050 -0.006 0.000 0.982 533 N CB 0.433 38.914 38.487 -0.010 0.000 1.170 533 N HN 0.216 nan 8.380 nan 0.000 0.474 534 N N 0.778 119.464 118.700 -0.023 0.000 2.487 534 N HA 0.477 5.205 4.740 -0.021 0.000 0.292 534 N C -1.107 174.372 175.510 -0.052 0.000 1.108 534 N CA -0.268 52.764 53.050 -0.031 0.000 0.956 534 N CB 1.062 39.526 38.487 -0.037 0.000 1.176 534 N HN 0.328 nan 8.380 nan 0.000 0.484 535 L N 0.548 121.739 121.223 -0.053 0.000 2.401 535 L HA 0.491 4.819 4.340 -0.021 0.000 0.266 535 L C -0.314 176.477 176.870 -0.130 0.000 0.991 535 L CA -0.684 54.077 54.840 -0.131 0.000 0.818 535 L CB 2.340 44.331 42.059 -0.113 0.000 1.321 535 L HN 0.312 nan 8.230 nan 0.000 0.413 536 T N 1.902 116.321 114.554 -0.224 0.000 2.807 536 T HA 0.663 5.000 4.350 -0.021 0.000 0.279 536 T C -0.854 173.701 174.700 -0.242 0.000 0.993 536 T CA -0.290 61.727 62.100 -0.137 0.000 0.970 536 T CB 0.847 69.664 68.868 -0.085 0.000 0.950 536 T HN 0.124 nan 8.240 nan 0.000 0.441 537 F N 0.889 120.813 119.950 -0.044 0.000 2.546 537 F HA 0.399 4.913 4.527 -0.021 0.000 0.320 537 F C 1.604 177.430 175.800 0.044 0.000 1.076 537 F CA -0.941 57.056 58.000 -0.003 0.000 0.928 537 F CB 1.770 40.753 39.000 -0.028 0.000 1.189 537 F HN 0.595 nan 8.300 nan 0.000 0.465 538 E N 0.163 120.535 120.200 0.286 0.000 2.072 538 E HA -0.152 4.186 4.350 -0.021 0.000 0.191 538 E C -0.277 176.555 176.600 0.386 0.000 0.985 538 E CA 1.270 57.840 56.400 0.283 0.000 0.801 538 E CB 0.119 29.959 29.700 0.232 0.000 0.750 538 E HN 0.521 nan 8.360 nan 0.000 0.452 539 H N -1.503 117.732 119.070 0.274 0.000 3.123 539 H HA 0.280 4.823 4.556 -0.021 0.000 0.346 539 H C -1.557 173.864 175.328 0.155 0.000 1.138 539 H CA -0.558 55.617 56.048 0.211 0.000 1.273 539 H CB 0.677 30.558 29.762 0.198 0.000 1.926 539 H HN -0.140 nan 8.280 nan 0.000 0.524 540 I N 5.306 125.453 120.570 -0.705 0.000 2.308 540 I HA 0.250 4.408 4.170 -0.021 0.000 0.293 540 I C 0.355 176.124 176.117 -0.580 0.000 1.078 540 I CA -0.317 60.554 61.300 -0.715 0.000 1.292 540 I CB 0.372 37.743 38.000 -1.049 0.000 1.423 540 I HN 0.390 nan 8.210 nan 0.000 0.493 541 R N 5.744 126.165 120.500 -0.131 0.000 2.484 541 R HA 0.159 4.487 4.340 -0.021 0.000 0.293 541 R C -0.406 176.078 176.300 0.305 0.000 1.023 541 R CA 0.165 56.354 56.100 0.148 0.000 1.037 541 R CB 0.063 30.532 30.300 0.282 0.000 0.951 541 R HN 0.788 nan 8.270 nan 0.000 0.418 542 N N 0.912 119.789 118.700 0.294 0.000 2.745 542 N HA 0.205 4.932 4.740 -0.021 0.000 0.256 542 N C -0.438 175.118 175.510 0.077 0.000 1.268 542 N CA -0.799 52.395 53.050 0.240 0.000 0.887 542 N CB 1.081 39.681 38.487 0.188 0.000 1.575 542 N HN 0.312 nan 8.380 nan 0.000 0.496 543 I N -0.915 119.628 120.570 -0.046 0.000 3.616 543 I HA 0.209 4.367 4.170 -0.021 0.000 0.296 543 I C -0.306 175.762 176.117 -0.081 0.000 1.226 543 I CA 0.422 61.607 61.300 -0.192 0.000 1.394 543 I CB -0.057 37.797 38.000 -0.244 0.000 1.171 543 I HN 0.766 nan 8.210 nan 0.000 0.442 544 D N -1.437 118.890 120.400 -0.122 0.000 2.759 544 D HA 0.040 4.668 4.640 -0.021 0.000 0.321 544 D C -0.268 175.872 176.300 -0.267 0.000 1.267 544 D CA -0.493 53.407 54.000 -0.168 0.000 0.933 544 D CB 0.144 40.861 40.800 -0.139 0.000 1.431 544 D HN -0.070 nan 8.370 nan 0.000 0.504 545 D N -1.378 118.873 120.400 -0.248 0.000 2.352 545 D HA 0.116 4.744 4.640 -0.021 0.000 0.232 545 D C 1.624 177.845 176.300 -0.132 0.000 1.055 545 D CA 0.441 54.289 54.000 -0.252 0.000 0.891 545 D CB -0.548 40.154 40.800 -0.164 0.000 0.897 545 D HN 0.523 nan 8.370 nan 0.000 0.529 546 G N -0.199 108.493 108.800 -0.180 0.000 2.650 546 G HA2 0.157 4.105 3.960 -0.021 0.000 0.214 546 G HA3 0.157 4.105 3.960 -0.021 0.000 0.214 546 G C 0.760 175.562 174.900 -0.165 0.000 1.136 546 G CA 0.199 45.211 45.100 -0.147 0.000 0.789 546 G HN 0.524 nan 8.290 nan 0.000 0.536 547 A N 0.404 123.028 122.820 -0.326 0.000 2.492 547 A HA 0.626 4.934 4.320 -0.021 0.000 0.254 547 A C 0.396 177.638 177.584 -0.570 0.000 1.091 547 A CA -0.139 51.462 52.037 -0.728 0.000 0.768 547 A CB 0.162 18.556 19.000 -1.010 0.000 1.028 547 A HN 0.351 nan 8.150 nan 0.000 0.498 548 R N 2.650 122.870 120.500 -0.467 0.000 2.533 548 R HA 0.563 4.891 4.340 -0.021 0.000 0.288 548 R C -1.955 174.304 176.300 -0.068 0.000 1.039 548 R CA -0.571 55.431 56.100 -0.164 0.000 0.909 548 R CB 1.198 31.467 30.300 -0.052 0.000 1.195 548 R HN 0.754 nan 8.270 nan 0.000 0.438 549 L N 6.298 127.494 121.223 -0.046 0.000 2.296 549 L HA 0.633 4.960 4.340 -0.021 0.000 0.286 549 L C -0.675 176.251 176.870 0.094 0.000 1.023 549 L CA -0.699 54.185 54.840 0.074 0.000 0.812 549 L CB 1.571 43.677 42.059 0.079 0.000 1.223 549 L HN 0.594 nan 8.230 nan 0.000 0.421 550 V N 1.484 121.414 119.914 0.026 0.000 3.158 550 V HA 0.689 4.797 4.120 -0.021 0.000 0.311 550 V C -1.237 174.813 176.094 -0.074 0.000 1.181 550 V CA -0.851 61.426 62.300 -0.037 0.000 1.054 550 V CB 2.104 33.809 31.823 -0.197 0.000 1.085 550 V HN 0.812 nan 8.190 nan 0.000 0.446 551 N N -0.922 117.747 118.700 -0.051 0.000 2.540 551 N HA 0.460 5.188 4.740 -0.021 0.000 0.275 551 N C -0.160 175.384 175.510 0.057 0.000 1.053 551 N CA -0.414 52.623 53.050 -0.021 0.000 0.876 551 N CB 0.947 39.451 38.487 0.029 0.000 1.284 551 N HN 0.867 nan 8.380 nan 0.000 0.518 552 H N 0.705 119.797 119.070 0.037 0.000 2.539 552 H HA 0.158 4.701 4.556 -0.021 0.000 0.269 552 H C -0.037 175.303 175.328 0.021 0.000 0.980 552 H CA -0.292 55.772 56.048 0.027 0.000 1.152 552 H CB 0.529 30.305 29.762 0.024 0.000 1.407 552 H HN 0.385 nan 8.280 nan 0.000 0.564 553 N N 1.593 120.369 118.700 0.126 0.000 2.401 553 N HA -0.047 4.681 4.740 -0.021 0.000 0.255 553 N C 0.982 176.528 175.510 0.060 0.000 1.110 553 N CA 0.092 53.188 53.050 0.076 0.000 0.949 553 N CB 1.080 39.598 38.487 0.051 0.000 1.110 553 N HN 0.268 nan 8.380 nan 0.000 0.490 554 T N -0.831 113.753 114.554 0.050 0.000 3.118 554 T HA -0.050 4.287 4.350 -0.021 0.000 0.260 554 T C 1.202 175.918 174.700 0.026 0.000 1.139 554 T CA 0.731 62.853 62.100 0.037 0.000 1.085 554 T CB -0.148 68.736 68.868 0.026 0.000 0.934 554 T HN 0.417 nan 8.240 nan 0.000 0.518 555 S N -0.885 114.829 115.700 0.024 0.000 2.629 555 S HA 0.418 4.876 4.470 -0.021 0.000 0.236 555 S C 0.137 174.746 174.600 0.015 0.000 1.010 555 S CA -0.740 57.470 58.200 0.017 0.000 0.981 555 S CB 0.306 63.514 63.200 0.013 0.000 0.919 555 S HN 0.166 nan 8.310 nan 0.000 0.514 556 K N 1.718 122.129 120.400 0.019 0.000 2.501 556 K HA 0.430 4.738 4.320 -0.021 0.000 0.252 556 K C -1.309 175.300 176.600 0.015 0.000 0.934 556 K CA -0.081 56.215 56.287 0.014 0.000 0.797 556 K CB 2.296 34.804 32.500 0.014 0.000 1.270 556 K HN 0.118 nan 8.250 nan 0.000 0.431 557 T N 1.501 116.061 114.554 0.009 0.000 2.806 557 T HA 0.264 4.601 4.350 -0.021 0.000 0.290 557 T C 0.016 174.717 174.700 0.002 0.000 0.966 557 T CA -0.155 61.950 62.100 0.007 0.000 1.060 557 T CB 0.965 69.834 68.868 0.002 0.000 0.927 557 T HN 0.306 nan 8.240 nan 0.000 0.485 558 S N 2.226 117.929 115.700 0.005 0.000 2.508 558 S HA 0.537 4.995 4.470 -0.021 0.000 0.284 558 S C 0.161 174.751 174.600 -0.017 0.000 1.192 558 S CA -0.670 57.530 58.200 -0.001 0.000 1.070 558 S CB 0.952 64.160 63.200 0.013 0.000 1.004 558 S HN 0.680 nan 8.310 nan 0.000 0.493 559 T N 2.657 117.193 114.554 -0.030 0.000 2.807 559 T HA 0.474 4.811 4.350 -0.021 0.000 0.279 559 T C -0.632 174.031 174.700 -0.062 0.000 0.993 559 T CA -0.445 61.620 62.100 -0.058 0.000 0.970 559 T CB 1.175 70.006 68.868 -0.062 0.000 0.950 559 T HN 0.309 nan 8.240 nan 0.000 0.441 560 V N 3.869 123.721 119.914 -0.103 0.000 2.398 560 V HA 0.476 4.584 4.120 -0.021 0.000 0.286 560 V C 0.224 176.202 176.094 -0.194 0.000 1.026 560 V CA -0.600 61.652 62.300 -0.080 0.000 0.868 560 V CB 1.765 33.556 31.823 -0.053 0.000 0.982 560 V HN 0.969 nan 8.190 nan 0.000 0.443 561 T N 6.562 121.040 114.554 -0.128 0.000 2.794 561 T HA 0.688 5.025 4.350 -0.021 0.000 0.280 561 T C -0.342 174.260 174.700 -0.164 0.000 0.987 561 T CA -0.161 61.822 62.100 -0.196 0.000 0.993 561 T CB 1.094 69.892 68.868 -0.116 0.000 0.939 561 T HN 0.380 nan 8.240 nan 0.000 0.449 562 I N 2.758 123.113 120.570 -0.359 0.000 2.406 562 I HA 0.301 4.459 4.170 -0.021 0.000 0.290 562 I C 1.313 177.365 176.117 -0.108 0.000 0.999 562 I CA -0.623 60.526 61.300 -0.251 0.000 1.124 562 I CB 2.173 39.852 38.000 -0.535 0.000 1.289 562 I HN 0.798 nan 8.210 nan 0.000 0.441 563 T N 1.022 115.670 114.554 0.158 0.000 2.971 563 T HA 0.456 4.793 4.350 -0.021 0.000 0.252 563 T C 0.870 175.862 174.700 0.487 0.000 1.022 563 T CA 0.210 62.477 62.100 0.277 0.000 0.980 563 T CB 0.428 69.397 68.868 0.170 0.000 1.044 563 T HN 1.020 nan 8.240 nan 0.000 0.501 564 G N 1.242 110.375 108.800 0.556 0.000 2.829 564 G HA2 -0.106 3.841 3.960 -0.021 0.000 0.628 564 G HA3 -0.106 3.841 3.960 -0.021 0.000 0.628 564 G C -0.819 174.216 174.900 0.226 0.000 1.412 564 G CA -0.594 44.746 45.100 0.400 0.000 0.864 564 G HN 0.626 nan 8.290 nan 0.000 0.544 565 E N -0.565 119.720 120.200 0.143 0.000 2.312 565 E HA 0.493 4.831 4.350 -0.021 0.000 0.259 565 E C 0.486 177.128 176.600 0.071 0.000 1.122 565 E CA -0.137 56.324 56.400 0.102 0.000 0.922 565 E CB 1.073 30.816 29.700 0.073 0.000 1.109 565 E HN 0.523 nan 8.360 nan 0.000 0.442 566 S N 1.230 116.966 115.700 0.059 0.000 2.481 566 S HA 0.105 4.563 4.470 -0.021 0.000 0.282 566 S C -0.110 174.506 174.600 0.026 0.000 1.243 566 S CA -0.291 57.934 58.200 0.042 0.000 1.078 566 S CB -0.397 62.826 63.200 0.038 0.000 0.916 566 S HN 0.265 nan 8.310 nan 0.000 0.495 567 L N 4.663 125.896 121.223 0.016 0.000 2.472 567 L HA 0.543 4.870 4.340 -0.021 0.000 0.256 567 L C 0.239 177.109 176.870 0.001 0.000 1.111 567 L CA -1.102 53.740 54.840 0.002 0.000 0.800 567 L CB 0.593 42.645 42.059 -0.011 0.000 1.286 567 L HN 0.528 nan 8.230 nan 0.000 0.479 568 I N 0.385 120.952 120.570 -0.006 0.000 2.452 568 I HA 0.017 4.175 4.170 -0.021 0.000 0.287 568 I C 0.886 176.998 176.117 -0.008 0.000 1.079 568 I CA 0.248 61.543 61.300 -0.007 0.000 1.387 568 I CB 1.046 39.038 38.000 -0.013 0.000 1.404 568 I HN 0.750 nan 8.210 nan 0.000 0.522 569 T N -0.734 113.817 114.554 -0.005 0.000 2.975 569 T HA 0.104 4.441 4.350 -0.021 0.000 0.261 569 T C 0.228 174.923 174.700 -0.008 0.000 0.984 569 T CA -0.254 61.843 62.100 -0.005 0.000 0.911 569 T CB 0.165 69.034 68.868 0.002 0.000 1.127 569 T HN 0.454 nan 8.240 nan 0.000 0.514 570 D N 2.924 123.318 120.400 -0.010 0.000 2.461 570 D HA 0.347 4.975 4.640 -0.021 0.000 0.240 570 D C -1.778 174.509 176.300 -0.021 0.000 1.094 570 D CA -2.670 51.322 54.000 -0.013 0.000 0.868 570 D CB 2.080 42.875 40.800 -0.009 0.000 1.062 570 D HN -0.057 nan 8.370 nan 0.000 0.530 571 P HA -0.137 nan 4.420 nan 0.000 0.224 571 P C 0.609 177.881 177.300 -0.046 0.000 1.142 571 P CA 0.709 63.783 63.100 -0.043 0.000 0.778 571 P CB 0.345 32.014 31.700 -0.053 0.000 0.764 572 N N -0.858 117.822 118.700 -0.033 0.000 2.398 572 N HA 0.013 4.740 4.740 -0.021 0.000 0.188 572 N C 0.738 176.237 175.510 -0.019 0.000 1.122 572 N CA 0.663 53.697 53.050 -0.027 0.000 0.866 572 N CB 0.074 38.549 38.487 -0.020 0.000 0.970 572 N HN 0.226 nan 8.380 nan 0.000 0.462 573 T N -0.324 114.219 114.554 -0.019 0.000 3.113 573 T HA 0.195 4.532 4.350 -0.021 0.000 0.256 573 T C 1.001 175.688 174.700 -0.021 0.000 1.131 573 T CA 0.270 62.362 62.100 -0.014 0.000 1.074 573 T CB 0.526 69.387 68.868 -0.013 0.000 0.944 573 T HN 0.075 nan 8.240 nan 0.000 0.516 574 I N 3.037 123.586 120.570 -0.035 0.000 2.342 574 I HA 0.260 4.417 4.170 -0.021 0.000 0.291 574 I C 0.405 176.497 176.117 -0.041 0.000 1.010 574 I CA -0.509 60.759 61.300 -0.054 0.000 1.308 574 I CB 1.243 39.200 38.000 -0.070 0.000 1.400 574 I HN 0.070 nan 8.210 nan 0.000 0.488 575 T N 4.550 119.081 114.554 -0.039 0.000 2.772 575 T HA 0.535 4.873 4.350 -0.021 0.000 0.288 575 T C -2.541 172.152 174.700 -0.011 0.000 0.994 575 T CA -2.175 59.932 62.100 0.012 0.000 0.951 575 T CB 1.342 70.254 68.868 0.073 0.000 0.933 575 T HN 0.148 nan 8.240 nan 0.000 0.447 576 P HA 0.236 nan 4.420 nan 0.000 0.271 576 P C -0.894 176.494 177.300 0.146 0.000 1.216 576 P CA -0.441 62.678 63.100 0.031 0.000 0.776 576 P CB 0.178 32.003 31.700 0.209 0.000 0.881 577 Y N 0.962 121.140 120.300 -0.203 0.000 2.323 577 Y HA 0.263 4.801 4.550 -0.021 0.000 0.331 577 Y C 1.008 176.904 175.900 -0.007 0.000 1.092 577 Y CA -1.070 56.947 58.100 -0.139 0.000 1.150 577 Y CB 0.276 38.584 38.460 -0.254 0.000 1.200 577 Y HN 0.272 nan 8.280 nan 0.000 0.472 578 N N 3.142 121.933 118.700 0.152 0.000 2.529 578 N HA 0.301 5.028 4.740 -0.021 0.000 0.278 578 N C -0.662 174.893 175.510 0.075 0.000 1.146 578 N CA -0.109 52.973 53.050 0.054 0.000 0.980 578 N CB 1.013 39.490 38.487 -0.016 0.000 1.124 578 N HN 0.484 nan 8.380 nan 0.000 0.458 579 I N 1.677 122.241 120.570 -0.010 0.000 2.359 579 I HA 0.130 4.288 4.170 -0.021 0.000 0.284 579 I C -0.219 175.816 176.117 -0.138 0.000 1.018 579 I CA -0.884 60.376 61.300 -0.066 0.000 1.173 579 I CB 0.949 38.867 38.000 -0.138 0.000 1.326 579 I HN 0.151 nan 8.210 nan 0.000 0.462 580 D N 5.169 125.497 120.400 -0.119 0.000 2.472 580 D HA 0.167 4.795 4.640 -0.021 0.000 0.237 580 D C 0.463 176.677 176.300 -0.144 0.000 1.141 580 D CA 0.221 54.146 54.000 -0.126 0.000 0.875 580 D CB 1.060 41.800 40.800 -0.099 0.000 1.192 580 D HN 0.579 nan 8.370 nan 0.000 0.450 581 A N 3.200 125.939 122.820 -0.136 0.000 2.448 581 A HA 0.321 4.629 4.320 -0.021 0.000 0.239 581 A C -1.994 175.523 177.584 -0.111 0.000 1.080 581 A CA -0.937 51.027 52.037 -0.121 0.000 0.779 581 A CB -0.463 18.486 19.000 -0.085 0.000 1.026 581 A HN 0.364 nan 8.150 nan 0.000 0.499 582 P HA -0.005 nan 4.420 nan 0.000 0.261 582 P C -0.499 176.738 177.300 -0.104 0.000 1.183 582 P CA 0.130 63.154 63.100 -0.126 0.000 0.761 582 P CB 0.340 31.963 31.700 -0.129 0.000 0.785 583 D N 3.168 123.504 120.400 -0.107 0.000 2.401 583 D HA -0.077 4.551 4.640 -0.021 0.000 0.254 583 D C 1.044 177.298 176.300 -0.077 0.000 1.192 583 D CA 0.139 54.093 54.000 -0.078 0.000 0.885 583 D CB 0.657 41.417 40.800 -0.067 0.000 1.147 583 D HN 0.387 nan 8.370 nan 0.000 0.478 584 E N 3.031 123.201 120.200 -0.051 0.000 2.077 584 E HA -0.179 4.158 4.350 -0.021 0.000 0.193 584 E C 0.587 177.169 176.600 -0.030 0.000 0.989 584 E CA 1.094 57.469 56.400 -0.041 0.000 0.800 584 E CB 0.309 29.995 29.700 -0.024 0.000 0.746 584 E HN 0.610 nan 8.360 nan 0.000 0.452 585 D N -0.256 120.132 120.400 -0.019 0.000 2.323 585 D HA -0.054 4.574 4.640 -0.021 0.000 0.209 585 D C 0.629 176.937 176.300 0.013 0.000 0.973 585 D CA 0.487 54.487 54.000 0.001 0.000 0.874 585 D CB 0.050 40.852 40.800 0.004 0.000 0.930 585 D HN 0.140 nan 8.370 nan 0.000 0.521 586 N N 0.401 119.096 118.700 -0.008 0.000 2.839 586 N HA 0.060 4.788 4.740 -0.021 0.000 0.230 586 N C -2.433 173.031 175.510 -0.076 0.000 1.388 586 N CA -0.956 52.102 53.050 0.014 0.000 0.747 586 N CB 1.568 40.083 38.487 0.046 0.000 1.411 586 N HN -0.276 nan 8.380 nan 0.000 0.556 587 P HA -0.016 nan 4.420 nan 0.000 0.237 587 P C 0.205 177.173 177.300 -0.552 0.000 1.178 587 P CA 0.803 63.626 63.100 -0.462 0.000 0.766 587 P CB -0.006 31.309 31.700 -0.643 0.000 0.876 588 Y N 0.172 120.475 120.300 0.004 0.000 2.503 588 Y HA 0.365 4.902 4.550 -0.021 0.000 0.277 588 Y C 1.658 177.582 175.900 0.039 0.000 1.102 588 Y CA -0.359 57.752 58.100 0.018 0.000 1.261 588 Y CB -1.057 37.414 38.460 0.020 0.000 1.096 588 Y HN -0.176 nan 8.280 nan 0.000 0.546 589 A N 1.264 124.171 122.820 0.145 0.000 2.546 589 A HA -0.006 4.302 4.320 -0.021 0.000 0.243 589 A C -0.232 177.424 177.584 0.121 0.000 1.063 589 A CA -0.393 51.722 52.037 0.131 0.000 0.757 589 A CB -0.859 18.194 19.000 0.089 0.000 0.991 589 A HN 0.343 nan 8.150 nan 0.000 0.503 590 F N 3.678 123.647 119.950 0.031 0.000 2.623 590 F HA 0.210 4.725 4.527 -0.021 0.000 0.383 590 F C 1.032 176.837 175.800 0.008 0.000 1.077 590 F CA 0.778 58.790 58.000 0.019 0.000 1.268 590 F CB 0.445 39.457 39.000 0.021 0.000 1.053 590 F HN 0.609 nan 8.300 nan 0.000 0.571 591 R N 7.833 127.983 120.500 -0.583 0.000 2.409 591 R HA 0.327 4.655 4.340 -0.021 0.000 0.313 591 R C -0.802 175.123 176.300 -0.624 0.000 0.953 591 R CA -0.819 55.046 56.100 -0.392 0.000 0.849 591 R CB 1.125 31.271 30.300 -0.257 0.000 1.171 591 R HN 0.916 nan 8.270 nan 0.000 0.458 592 R N 3.924 124.255 120.500 -0.283 0.000 2.641 592 R HA 0.338 4.665 4.340 -0.021 0.000 0.269 592 R C -0.267 175.986 176.300 -0.077 0.000 1.074 592 R CA -0.025 56.007 56.100 -0.113 0.000 1.133 592 R CB 0.612 30.994 30.300 0.137 0.000 1.029 592 R HN 0.554 nan 8.270 nan 0.000 0.488 593 I N 3.148 123.719 120.570 0.001 0.000 2.465 593 I HA 0.257 4.415 4.170 -0.021 0.000 0.291 593 I C -0.120 176.094 176.117 0.162 0.000 1.014 593 I CA -0.896 60.456 61.300 0.086 0.000 1.093 593 I CB 2.085 40.143 38.000 0.095 0.000 1.267 593 I HN 0.465 nan 8.210 nan 0.000 0.431 594 K N 3.461 123.969 120.400 0.180 0.000 2.412 594 K HA 0.068 4.376 4.320 -0.021 0.000 0.281 594 K C -0.608 176.221 176.600 0.383 0.000 1.027 594 K CA -0.121 56.254 56.287 0.147 0.000 0.989 594 K CB 0.541 32.924 32.500 -0.195 0.000 0.935 594 K HN 0.435 nan 8.250 nan 0.000 0.475 595 D N 0.206 120.775 120.400 0.281 0.000 2.339 595 D HA 0.216 4.844 4.640 -0.021 0.000 0.245 595 D C 0.857 177.381 176.300 0.372 0.000 1.115 595 D CA 1.166 55.347 54.000 0.301 0.000 0.917 595 D CB 0.777 41.680 40.800 0.172 0.000 1.192 595 D HN 0.653 nan 8.370 nan 0.000 0.428 596 G N 1.534 110.526 108.800 0.319 0.000 2.136 596 G HA2 -0.137 3.811 3.960 -0.021 0.000 0.242 596 G HA3 -0.137 3.811 3.960 -0.021 0.000 0.242 596 G C 0.626 175.580 174.900 0.090 0.000 0.989 596 G CA 0.045 45.270 45.100 0.207 0.000 0.682 596 G HN 0.766 nan 8.290 nan 0.000 0.522 597 G N -0.995 107.788 108.800 -0.028 0.000 2.483 597 G HA2 0.465 4.413 3.960 -0.021 0.000 0.248 597 G HA3 0.465 4.413 3.960 -0.021 0.000 0.248 597 G C 0.743 175.363 174.900 -0.467 0.000 1.248 597 G CA 0.254 44.807 45.100 -0.912 0.000 0.838 597 G HN 0.425 nan 8.290 nan 0.000 0.566 598 Q N -0.729 118.782 119.800 -0.481 0.000 2.311 598 Q HA 0.136 4.463 4.340 -0.021 0.000 0.203 598 Q C 0.006 175.919 176.000 -0.145 0.000 0.954 598 Q CA 0.458 56.135 55.803 -0.210 0.000 0.885 598 Q CB 0.151 28.787 28.738 -0.170 0.000 0.963 598 Q HN 0.324 nan 8.270 nan 0.000 0.471 599 L N -0.839 120.202 121.223 -0.303 0.000 2.545 599 L HA 0.365 4.693 4.340 -0.021 0.000 0.258 599 L C -2.072 174.651 176.870 -0.244 0.000 0.942 599 L CA -0.676 54.108 54.840 -0.093 0.000 0.855 599 L CB 1.493 43.529 42.059 -0.039 0.000 1.374 599 L HN -0.134 nan 8.230 nan 0.000 0.411 600 Y N 4.027 124.434 120.300 0.178 0.000 2.446 600 Y HA 0.709 5.247 4.550 -0.021 0.000 0.345 600 Y C -0.767 175.169 175.900 0.059 0.000 0.984 600 Y CA -0.681 57.514 58.100 0.158 0.000 1.058 600 Y CB 2.206 40.803 38.460 0.229 0.000 1.220 600 Y HN 0.534 nan 8.280 nan 0.000 0.455 601 L N 4.363 125.617 121.223 0.052 0.000 2.298 601 L HA 0.482 4.810 4.340 -0.021 0.000 0.284 601 L C -0.688 176.021 176.870 -0.268 0.000 1.013 601 L CA -0.656 53.989 54.840 -0.325 0.000 0.824 601 L CB 0.744 42.537 42.059 -0.443 0.000 1.221 601 L HN 0.622 nan 8.230 nan 0.000 0.418 602 N N 4.905 123.444 118.700 -0.268 0.000 2.415 602 N HA 0.123 4.850 4.740 -0.021 0.000 0.250 602 N C 0.656 175.935 175.510 -0.384 0.000 1.127 602 N CA 0.108 53.004 53.050 -0.257 0.000 0.945 602 N CB 0.347 38.757 38.487 -0.129 0.000 1.196 602 N HN 0.813 nan 8.380 nan 0.000 0.499 603 L N 2.018 122.975 121.223 -0.443 0.000 2.465 603 L HA -0.035 4.292 4.340 -0.021 0.000 0.224 603 L C 2.030 178.673 176.870 -0.378 0.000 1.145 603 L CA 0.534 54.965 54.840 -0.682 0.000 0.834 603 L CB -0.160 41.602 42.059 -0.496 0.000 0.944 603 L HN 0.642 nan 8.230 nan 0.000 0.451 604 E N 1.758 121.830 120.200 -0.214 0.000 2.077 604 E HA -0.234 4.104 4.350 -0.021 0.000 0.193 604 E C 1.082 177.681 176.600 -0.003 0.000 0.989 604 E CA 1.695 58.039 56.400 -0.092 0.000 0.800 604 E CB 0.202 29.843 29.700 -0.098 0.000 0.746 604 E HN 0.622 nan 8.360 nan 0.000 0.452 605 N N -1.671 117.027 118.700 -0.004 0.000 2.184 605 N HA -0.055 4.672 4.740 -0.021 0.000 0.234 605 N C -0.939 174.673 175.510 0.169 0.000 1.282 605 N CA -0.363 52.740 53.050 0.090 0.000 0.877 605 N CB -0.438 38.077 38.487 0.048 0.000 1.184 605 N HN 0.119 nan 8.380 nan 0.000 0.510 606 Y N 0.689 120.943 120.300 -0.077 0.000 3.037 606 Y HA -0.271 4.266 4.550 -0.021 0.000 0.204 606 Y C 0.025 175.841 175.900 -0.141 0.000 1.275 606 Y CA 0.984 59.004 58.100 -0.133 0.000 1.066 606 Y CB -2.371 36.045 38.460 -0.072 0.000 1.305 606 Y HN 0.389 nan 8.280 nan 0.000 0.499 607 T N -3.095 111.408 114.554 -0.085 0.000 2.918 607 T HA 0.755 5.093 4.350 -0.021 0.000 0.286 607 T C -0.650 173.871 174.700 -0.298 0.000 1.026 607 T CA -0.892 61.177 62.100 -0.052 0.000 1.031 607 T CB 1.879 70.802 68.868 0.093 0.000 1.046 607 T HN 0.102 nan 8.240 nan 0.000 0.479 608 Y N 0.496 120.607 120.300 -0.315 0.000 2.387 608 Y HA 0.623 5.161 4.550 -0.021 0.000 0.336 608 Y C -0.605 174.942 175.900 -0.588 0.000 1.067 608 Y CA -0.781 57.139 58.100 -0.299 0.000 1.114 608 Y CB 1.513 39.835 38.460 -0.230 0.000 1.208 608 Y HN 0.663 nan 8.280 nan 0.000 0.458 609 Y N 0.362 120.760 120.300 0.163 0.000 2.524 609 Y HA 0.700 5.237 4.550 -0.021 0.000 0.347 609 Y C -0.298 175.797 175.900 0.325 0.000 1.005 609 Y CA -1.518 56.708 58.100 0.209 0.000 1.025 609 Y CB 1.805 40.386 38.460 0.201 0.000 1.275 609 Y HN 0.641 nan 8.280 nan 0.000 0.460 610 A N 2.307 125.380 122.820 0.422 0.000 2.309 610 A HA 0.598 4.905 4.320 -0.021 0.000 0.298 610 A C -1.226 176.608 177.584 0.417 0.000 1.165 610 A CA -0.565 51.697 52.037 0.373 0.000 0.821 610 A CB 0.581 19.676 19.000 0.158 0.000 1.102 610 A HN 0.678 nan 8.150 nan 0.000 0.500 611 L N 2.892 124.303 121.223 0.312 0.000 2.360 611 L HA 0.274 4.602 4.340 -0.021 0.000 0.276 611 L C 0.763 177.565 176.870 -0.113 0.000 1.121 611 L CA 0.211 54.936 54.840 -0.192 0.000 0.845 611 L CB 0.188 42.053 42.059 -0.322 0.000 1.143 611 L HN 0.754 nan 8.230 nan 0.000 0.452 612 R N 3.731 124.116 120.500 -0.193 0.000 2.734 612 R HA 0.070 4.397 4.340 -0.021 0.000 0.266 612 R C 0.073 176.310 176.300 -0.106 0.000 1.044 612 R CA -0.383 55.661 56.100 -0.093 0.000 1.128 612 R CB 0.270 30.512 30.300 -0.096 0.000 1.010 612 R HN 0.537 nan 8.270 nan 0.000 0.461 613 K N 1.183 121.546 120.400 -0.062 0.000 2.491 613 K HA -0.105 4.203 4.320 -0.021 0.000 0.279 613 K C 0.746 177.289 176.600 -0.096 0.000 1.026 613 K CA 1.248 57.488 56.287 -0.079 0.000 1.070 613 K CB 0.130 32.570 32.500 -0.101 0.000 0.887 613 K HN 0.827 nan 8.250 nan 0.000 0.481 614 G N 2.074 110.819 108.800 -0.091 0.000 2.205 614 G HA2 -0.323 3.624 3.960 -0.021 0.000 0.261 614 G HA3 -0.323 3.624 3.960 -0.021 0.000 0.261 614 G C 0.169 175.001 174.900 -0.113 0.000 0.980 614 G CA 0.249 45.297 45.100 -0.087 0.000 0.632 614 G HN 0.943 nan 8.290 nan 0.000 0.533 615 A N 0.089 122.808 122.820 -0.168 0.000 2.386 615 A HA 0.723 5.031 4.320 -0.021 0.000 0.248 615 A C 0.894 178.333 177.584 -0.242 0.000 1.082 615 A CA 1.081 52.976 52.037 -0.237 0.000 0.789 615 A CB 0.719 19.496 19.000 -0.372 0.000 1.025 615 A HN 1.638 nan 8.150 nan 0.000 0.490 616 S N 0.008 115.578 115.700 -0.216 0.000 2.548 616 S HA 0.248 4.705 4.470 -0.021 0.000 0.277 616 S C 1.616 176.077 174.600 -0.231 0.000 1.315 616 S CA 0.140 58.244 58.200 -0.160 0.000 1.050 616 S CB 0.373 63.523 63.200 -0.083 0.000 0.918 616 S HN 1.202 nan 8.310 nan 0.000 0.497 617 T N 2.968 117.436 114.554 -0.144 0.000 2.977 617 T HA -0.015 4.322 4.350 -0.021 0.000 0.271 617 T C 1.339 176.070 174.700 0.052 0.000 1.105 617 T CA 0.494 62.538 62.100 -0.094 0.000 1.116 617 T CB -0.187 68.677 68.868 -0.007 0.000 0.878 617 T HN 0.597 nan 8.240 nan 0.000 0.509 618 R N 1.682 122.203 120.500 0.035 0.000 2.313 618 R HA 0.292 4.619 4.340 -0.021 0.000 0.199 618 R C 0.814 177.163 176.300 0.082 0.000 0.958 618 R CA -0.040 56.101 56.100 0.069 0.000 1.047 618 R CB -0.723 29.633 30.300 0.093 0.000 0.955 618 R HN 0.398 nan 8.270 nan 0.000 0.481 619 S N 1.858 117.599 115.700 0.068 0.000 2.558 619 S HA -0.046 4.412 4.470 -0.021 0.000 0.288 619 S C 0.460 175.222 174.600 0.270 0.000 1.318 619 S CA -0.187 58.066 58.200 0.089 0.000 1.056 619 S CB 0.986 64.116 63.200 -0.116 0.000 0.853 619 S HN 0.225 nan 8.310 nan 0.000 0.505 620 E N 1.818 122.108 120.200 0.149 0.000 2.414 620 E HA 0.062 4.400 4.350 -0.021 0.000 0.263 620 E C -0.680 175.989 176.600 0.115 0.000 1.000 620 E CA -0.161 56.291 56.400 0.088 0.000 0.914 620 E CB 0.347 30.067 29.700 0.034 0.000 0.948 620 E HN 0.427 nan 8.360 nan 0.000 0.444 621 L N 5.962 127.112 121.223 -0.123 0.000 2.418 621 L HA 0.298 4.625 4.340 -0.021 0.000 0.265 621 L C -1.964 174.745 176.870 -0.267 0.000 1.143 621 L CA -2.129 52.441 54.840 -0.450 0.000 0.809 621 L CB 0.725 42.384 42.059 -0.666 0.000 1.124 621 L HN 0.541 nan 8.230 nan 0.000 0.456 622 P HA 0.011 nan 4.420 nan 0.000 0.264 622 P C -0.343 176.892 177.300 -0.107 0.000 1.183 622 P CA 0.145 63.168 63.100 -0.129 0.000 0.763 622 P CB 0.470 32.137 31.700 -0.055 0.000 0.807 623 K N 1.552 121.915 120.400 -0.062 0.000 2.296 623 K HA -0.006 4.301 4.320 -0.021 0.000 0.200 623 K C 0.587 177.166 176.600 -0.036 0.000 1.048 623 K CA 0.839 57.095 56.287 -0.053 0.000 0.966 623 K CB -0.173 32.303 32.500 -0.040 0.000 0.754 623 K HN 0.611 nan 8.250 nan 0.000 0.466 624 N N 0.446 119.129 118.700 -0.028 0.000 2.284 624 N HA 0.189 4.917 4.740 -0.021 0.000 0.300 624 N C -1.128 174.356 175.510 -0.042 0.000 1.047 624 N CA -0.642 52.389 53.050 -0.031 0.000 0.821 624 N CB 1.803 40.266 38.487 -0.040 0.000 1.337 624 N HN -0.216 nan 8.380 nan 0.000 0.482 625 S N 0.358 116.030 115.700 -0.047 0.000 2.599 625 S HA 0.188 4.646 4.470 -0.021 0.000 0.303 625 S C 1.570 175.974 174.600 -0.327 0.000 1.267 625 S CA 0.549 58.683 58.200 -0.111 0.000 1.055 625 S CB 0.264 63.431 63.200 -0.055 0.000 0.790 625 S HN 1.069 nan 8.310 nan 0.000 0.500 626 G N 1.425 109.712 108.800 -0.856 0.000 2.225 626 G HA2 -0.227 3.720 3.960 -0.021 0.000 0.254 626 G HA3 -0.227 3.720 3.960 -0.021 0.000 0.254 626 G C -0.146 174.333 174.900 -0.701 0.000 0.988 626 G CA 0.131 44.459 45.100 -1.285 0.000 0.625 626 G HN 0.690 nan 8.290 nan 0.000 0.527 627 E N 0.728 120.742 120.200 -0.309 0.000 2.277 627 E HA 0.600 4.937 4.350 -0.021 0.000 0.274 627 E C -0.266 176.407 176.600 0.122 0.000 1.022 627 E CA -0.094 56.265 56.400 -0.068 0.000 0.853 627 E CB 1.421 31.102 29.700 -0.032 0.000 1.086 627 E HN 0.245 nan 8.360 nan 0.000 0.397 628 S N 1.433 117.218 115.700 0.141 0.000 2.704 628 S HA 0.467 4.925 4.470 -0.021 0.000 0.305 628 S C -0.187 174.490 174.600 0.128 0.000 1.107 628 S CA -0.895 57.434 58.200 0.216 0.000 0.993 628 S CB 1.162 64.484 63.200 0.203 0.000 1.110 628 S HN 0.658 nan 8.310 nan 0.000 0.534 629 N N -0.257 118.525 118.700 0.136 0.000 3.387 629 N HA 0.259 4.987 4.740 -0.021 0.000 0.322 629 N C 0.292 175.835 175.510 0.055 0.000 1.588 629 N CA -0.848 52.251 53.050 0.080 0.000 0.778 629 N CB -0.029 38.501 38.487 0.071 0.000 1.883 629 N HN 0.550 nan 8.380 nan 0.000 0.628 630 E N -0.931 119.281 120.200 0.019 0.000 2.267 630 E HA -0.104 4.233 4.350 -0.021 0.000 0.197 630 E C 0.156 176.717 176.600 -0.065 0.000 0.998 630 E CA 1.369 57.758 56.400 -0.018 0.000 0.830 630 E CB -0.167 29.517 29.700 -0.027 0.000 0.751 630 E HN 0.604 nan 8.360 nan 0.000 0.491 631 N N -2.046 116.593 118.700 -0.102 0.000 2.317 631 N HA 0.101 4.829 4.740 -0.021 0.000 0.199 631 N C -0.952 174.284 175.510 -0.456 0.000 1.145 631 N CA -0.148 52.706 53.050 -0.325 0.000 0.882 631 N CB 0.642 38.847 38.487 -0.469 0.000 1.113 631 N HN 0.004 nan 8.380 nan 0.000 0.486 632 W N 1.089 122.355 121.300 -0.057 0.000 2.739 632 W HA 0.546 5.194 4.660 -0.020 0.000 0.331 632 W C -1.172 175.412 176.519 0.108 0.000 1.049 632 W CA -0.834 56.495 57.345 -0.025 0.000 1.234 632 W CB 1.308 30.628 29.460 -0.233 0.000 1.404 632 W HN -0.234 nan 8.180 nan 0.000 0.477 633 L N 4.714 126.195 121.223 0.430 0.000 2.298 633 L HA 0.428 4.755 4.340 -0.021 0.000 0.284 633 L C -0.654 176.441 176.870 0.375 0.000 1.013 633 L CA -1.091 53.922 54.840 0.288 0.000 0.824 633 L CB 0.035 42.104 42.059 0.018 0.000 1.221 633 L HN 0.409 nan 8.230 nan 0.000 0.418 634 Y N 5.638 126.073 120.300 0.224 0.000 2.721 634 Y HA 0.040 4.577 4.550 -0.021 0.000 0.329 634 Y C 0.738 176.569 175.900 -0.115 0.000 1.211 634 Y CA 0.622 58.678 58.100 -0.073 0.000 1.512 634 Y CB 0.704 39.144 38.460 -0.034 0.000 1.249 634 Y HN 0.675 nan 8.280 nan 0.000 0.549 635 M N 4.383 123.493 119.600 -0.816 0.000 2.304 635 M HA 0.329 4.796 4.480 -0.021 0.000 0.281 635 M C 0.642 176.493 176.300 -0.748 0.000 1.014 635 M CA 0.893 55.842 55.300 -0.585 0.000 1.054 635 M CB 0.137 32.574 32.600 -0.273 0.000 1.551 635 M HN 0.849 nan 8.290 nan 0.000 0.548 636 G N 0.824 108.867 108.800 -1.262 0.000 2.369 636 G HA2 0.047 3.995 3.960 -0.021 0.000 0.307 636 G HA3 0.047 3.995 3.960 -0.021 0.000 0.307 636 G C -0.565 174.221 174.900 -0.190 0.000 1.327 636 G CA -0.504 44.185 45.100 -0.686 0.000 0.963 636 G HN 0.033 nan 8.290 nan 0.000 0.590 637 K N -0.610 119.822 120.400 0.054 0.000 2.373 637 K HA 0.411 4.719 4.320 -0.021 0.000 0.200 637 K C 0.944 177.669 176.600 0.208 0.000 1.054 637 K CA 1.185 57.589 56.287 0.196 0.000 1.065 637 K CB 0.428 33.041 32.500 0.190 0.000 0.886 637 K HN 1.065 nan 8.250 nan 0.000 0.546 638 T N -3.748 110.868 114.554 0.103 0.000 2.906 638 T HA 0.266 4.604 4.350 -0.021 0.000 0.295 638 T C 0.771 175.362 174.700 -0.182 0.000 1.061 638 T CA -0.491 61.647 62.100 0.064 0.000 1.000 638 T CB 1.514 70.385 68.868 0.004 0.000 1.103 638 T HN -0.138 nan 8.240 nan 0.000 0.486 639 S N 0.659 116.260 115.700 -0.165 0.000 2.359 639 S HA -0.165 4.292 4.470 -0.021 0.000 0.224 639 S C 1.395 175.783 174.600 -0.353 0.000 1.035 639 S CA 1.993 59.937 58.200 -0.427 0.000 1.018 639 S CB -0.813 62.328 63.200 -0.097 0.000 0.876 639 S HN 0.776 nan 8.310 nan 0.000 0.448 640 D N 0.794 121.082 120.400 -0.187 0.000 2.117 640 D HA -0.083 4.545 4.640 -0.021 0.000 0.198 640 D C 2.006 178.210 176.300 -0.160 0.000 0.982 640 D CA 1.080 54.994 54.000 -0.144 0.000 0.828 640 D CB -0.572 40.178 40.800 -0.082 0.000 0.967 640 D HN 0.670 nan 8.370 nan 0.000 0.464 641 E N 0.752 120.855 120.200 -0.162 0.000 2.051 641 E HA -0.177 4.160 4.350 -0.021 0.000 0.192 641 E C 1.940 178.411 176.600 -0.216 0.000 0.991 641 E CA 1.163 57.472 56.400 -0.151 0.000 0.799 641 E CB 0.027 29.657 29.700 -0.117 0.000 0.748 641 E HN 0.149 nan 8.360 nan 0.000 0.449 642 A N 1.249 123.861 122.820 -0.346 0.000 1.898 642 A HA -0.157 4.151 4.320 -0.021 0.000 0.216 642 A C 2.064 179.471 177.584 -0.295 0.000 1.181 642 A CA 1.524 53.322 52.037 -0.399 0.000 0.620 642 A CB -0.309 18.263 19.000 -0.713 0.000 0.819 642 A HN 0.164 nan 8.150 nan 0.000 0.442 643 K N -0.589 119.635 120.400 -0.293 0.000 2.057 643 K HA -0.182 4.126 4.320 -0.021 0.000 0.207 643 K C 2.354 178.884 176.600 -0.117 0.000 1.049 643 K CA 1.584 57.763 56.287 -0.179 0.000 0.931 643 K CB -0.205 32.201 32.500 -0.157 0.000 0.714 643 K HN 0.535 nan 8.250 nan 0.000 0.440 644 R N 1.275 121.707 120.500 -0.113 0.000 2.083 644 R HA -0.154 4.174 4.340 -0.021 0.000 0.237 644 R C 1.829 178.092 176.300 -0.061 0.000 1.137 644 R CA 1.859 57.914 56.100 -0.075 0.000 0.951 644 R CB -0.149 30.110 30.300 -0.068 0.000 0.851 644 R HN 0.130 nan 8.270 nan 0.000 0.434 645 N N 0.244 118.893 118.700 -0.085 0.000 2.120 645 N HA -0.148 4.580 4.740 -0.021 0.000 0.188 645 N C 1.676 177.172 175.510 -0.022 0.000 1.024 645 N CA 1.313 54.325 53.050 -0.064 0.000 0.852 645 N CB -0.412 38.005 38.487 -0.118 0.000 1.003 645 N HN 0.123 nan 8.380 nan 0.000 0.424 646 V N 1.109 120.998 119.914 -0.041 0.000 2.548 646 V HA -0.076 4.032 4.120 -0.021 0.000 0.249 646 V C 2.108 178.224 176.094 0.037 0.000 1.055 646 V CA 1.045 63.356 62.300 0.018 0.000 1.065 646 V CB -0.209 31.610 31.823 -0.007 0.000 0.681 646 V HN 0.232 nan 8.190 nan 0.000 0.462 647 M N -0.083 119.514 119.600 -0.005 0.000 2.086 647 M HA -0.171 4.297 4.480 -0.021 0.000 0.261 647 M C 2.089 178.393 176.300 0.006 0.000 1.067 647 M CA 2.429 57.725 55.300 -0.006 0.000 1.116 647 M CB -0.636 31.950 32.600 -0.023 0.000 1.348 647 M HN 0.468 nan 8.290 nan 0.000 0.407 648 N N -0.163 118.546 118.700 0.014 0.000 2.104 648 N HA -0.235 4.493 4.740 -0.021 0.000 0.190 648 N C 1.606 177.141 175.510 0.041 0.000 1.024 648 N CA 1.847 54.909 53.050 0.020 0.000 0.853 648 N CB -0.193 38.307 38.487 0.022 0.000 1.008 648 N HN 0.340 nan 8.380 nan 0.000 0.424 649 H N -0.122 118.936 119.070 -0.020 0.000 2.321 649 H HA 0.066 4.610 4.556 -0.021 0.000 0.300 649 H C 1.983 177.305 175.328 -0.010 0.000 1.087 649 H CA 2.004 58.045 56.048 -0.011 0.000 1.319 649 H CB -0.354 29.405 29.762 -0.005 0.000 1.379 649 H HN 0.264 nan 8.280 nan 0.000 0.501 650 I N 0.284 120.825 120.570 -0.049 0.000 2.208 650 I HA -0.318 3.840 4.170 -0.021 0.000 0.245 650 I C 1.964 178.020 176.117 -0.102 0.000 1.097 650 I CA 1.324 62.567 61.300 -0.095 0.000 1.363 650 I CB -0.313 37.676 38.000 -0.018 0.000 1.051 650 I HN 0.374 nan 8.210 nan 0.000 0.413 651 N N 0.984 119.646 118.700 -0.064 0.000 2.106 651 N HA -0.142 4.586 4.740 -0.021 0.000 0.188 651 N C 1.567 177.036 175.510 -0.069 0.000 1.029 651 N CA 1.240 54.259 53.050 -0.053 0.000 0.848 651 N CB -0.627 37.838 38.487 -0.036 0.000 1.007 651 N HN 0.335 nan 8.380 nan 0.000 0.423 652 N N 1.402 120.050 118.700 -0.085 0.000 2.244 652 N HA -0.092 4.635 4.740 -0.021 0.000 0.183 652 N C 1.298 176.745 175.510 -0.104 0.000 1.016 652 N CA 0.619 53.620 53.050 -0.082 0.000 0.866 652 N CB -0.216 38.236 38.487 -0.060 0.000 0.980 652 N HN 0.302 nan 8.380 nan 0.000 0.430 653 E N 0.710 120.796 120.200 -0.190 0.000 2.265 653 E HA -0.094 4.244 4.350 -0.021 0.000 0.196 653 E C 1.252 177.841 176.600 -0.019 0.000 0.996 653 E CA 0.589 56.889 56.400 -0.166 0.000 0.832 653 E CB -0.047 29.470 29.700 -0.305 0.000 0.756 653 E HN 0.451 nan 8.360 nan 0.000 0.491 654 R N -0.163 120.331 120.500 -0.009 0.000 2.317 654 R HA 0.214 4.541 4.340 -0.021 0.000 0.208 654 R C 1.128 177.431 176.300 0.005 0.000 0.914 654 R CA -0.295 55.834 56.100 0.048 0.000 1.060 654 R CB 0.012 30.319 30.300 0.012 0.000 1.015 654 R HN 0.111 nan 8.270 nan 0.000 0.498 655 M N 1.581 121.175 119.600 -0.009 0.000 2.251 655 M HA -0.061 4.407 4.480 -0.021 0.000 0.343 655 M C -0.183 176.088 176.300 -0.048 0.000 1.245 655 M CA 0.947 56.228 55.300 -0.032 0.000 1.061 655 M CB 0.376 32.959 32.600 -0.028 0.000 1.723 655 M HN -0.000 nan 8.290 nan 0.000 0.449 656 N N 2.034 120.690 118.700 -0.073 0.000 2.890 656 N HA 0.839 5.566 4.740 -0.021 0.000 0.317 656 N C -1.225 174.315 175.510 0.050 0.000 1.355 656 N CA -0.255 52.714 53.050 -0.135 0.000 0.803 656 N CB 2.279 40.491 38.487 -0.458 0.000 1.465 656 N HN 0.804 nan 8.380 nan 0.000 0.591 657 G N -0.713 108.184 108.800 0.162 0.000 2.692 657 G HA2 0.496 4.444 3.960 -0.021 0.000 0.291 657 G HA3 0.496 4.444 3.960 -0.021 0.000 0.291 657 G C -2.114 173.045 174.900 0.433 0.000 1.423 657 G CA -0.434 44.836 45.100 0.284 0.000 0.843 657 G HN 0.299 nan 8.290 nan 0.000 0.486 658 F N 0.985 121.044 119.950 0.182 0.000 2.426 658 F HA 0.515 5.029 4.527 -0.021 0.000 0.348 658 F C 0.524 176.292 175.800 -0.054 0.000 1.124 658 F CA -1.525 56.501 58.000 0.044 0.000 1.008 658 F CB 2.063 41.071 39.000 0.012 0.000 1.139 658 F HN 0.292 nan 8.300 nan 0.000 0.452 659 N N 2.767 121.076 118.700 -0.651 0.000 2.412 659 N HA 0.167 4.894 4.740 -0.021 0.000 0.184 659 N C 0.892 175.819 175.510 -0.972 0.000 1.101 659 N CA 0.524 53.206 53.050 -0.613 0.000 0.881 659 N CB 0.376 38.632 38.487 -0.385 0.000 0.969 659 N HN 0.726 nan 8.380 nan 0.000 0.459 660 G N -1.198 106.493 108.800 -1.848 0.000 2.695 660 G HA2 0.435 4.383 3.960 -0.021 0.000 0.213 660 G HA3 0.435 4.383 3.960 -0.021 0.000 0.213 660 G C -1.118 173.082 174.900 -1.166 0.000 1.406 660 G CA -0.258 43.964 45.100 -1.463 0.000 1.049 660 G HN 0.073 nan 8.290 nan 0.000 0.573 661 Y N -1.504 118.500 120.300 -0.494 0.000 2.485 661 Y HA 0.573 5.110 4.550 -0.021 0.000 0.345 661 Y C -0.833 174.950 175.900 -0.196 0.000 0.998 661 Y CA -0.536 57.432 58.100 -0.221 0.000 1.059 661 Y CB 2.375 40.734 38.460 -0.169 0.000 1.234 661 Y HN 0.238 nan 8.280 nan 0.000 0.461 662 F N 1.454 121.572 119.950 0.280 0.000 2.436 662 F HA 0.687 5.202 4.527 -0.020 0.000 0.340 662 F C 0.677 176.561 175.800 0.139 0.000 1.113 662 F CA -0.582 57.518 58.000 0.167 0.000 1.022 662 F CB 1.493 40.567 39.000 0.124 0.000 1.128 662 F HN 0.663 nan 8.300 nan 0.000 0.466 663 G N 2.089 111.049 108.800 0.266 0.000 2.663 663 G HA2 -0.086 3.862 3.960 -0.021 0.000 0.686 663 G HA3 -0.086 3.862 3.960 -0.021 0.000 0.686 663 G C -1.021 173.947 174.900 0.112 0.000 1.288 663 G CA -1.177 44.024 45.100 0.168 0.000 0.836 663 G HN 0.506 nan 8.290 nan 0.000 0.584 664 E N 0.528 120.783 120.200 0.091 0.000 2.371 664 E HA 0.285 4.623 4.350 -0.021 0.000 0.257 664 E C 0.981 177.584 176.600 0.005 0.000 1.134 664 E CA -0.242 56.197 56.400 0.066 0.000 0.919 664 E CB 0.502 30.267 29.700 0.109 0.000 1.025 664 E HN 0.537 nan 8.360 nan 0.000 0.438 665 E N 1.121 121.296 120.200 -0.042 0.000 2.392 665 E HA -0.047 4.290 4.350 -0.021 0.000 0.264 665 E C -0.212 176.363 176.600 -0.041 0.000 1.024 665 E CA 0.009 56.358 56.400 -0.084 0.000 0.903 665 E CB 0.482 30.117 29.700 -0.109 0.000 0.963 665 E HN 0.199 nan 8.360 nan 0.000 0.432 666 E N 0.685 120.859 120.200 -0.044 0.000 2.502 666 E HA -0.006 4.332 4.350 -0.021 0.000 0.261 666 E C 0.832 177.415 176.600 -0.029 0.000 0.974 666 E CA 1.491 57.876 56.400 -0.026 0.000 0.936 666 E CB 0.332 30.016 29.700 -0.027 0.000 0.926 666 E HN 0.667 nan 8.360 nan 0.000 0.459 667 G N 3.707 112.495 108.800 -0.020 0.000 2.217 667 G HA2 -0.269 3.679 3.960 -0.021 0.000 0.246 667 G HA3 -0.269 3.679 3.960 -0.021 0.000 0.246 667 G C 0.229 175.113 174.900 -0.027 0.000 0.990 667 G CA 0.529 45.615 45.100 -0.024 0.000 0.627 667 G HN 0.501 nan 8.290 nan 0.000 0.522 668 K N 0.063 120.450 120.400 -0.023 0.000 2.416 668 K HA 0.333 4.640 4.320 -0.021 0.000 0.244 668 K C 0.067 176.654 176.600 -0.021 0.000 1.044 668 K CA -0.658 55.610 56.287 -0.032 0.000 0.972 668 K CB 0.720 33.206 32.500 -0.023 0.000 1.286 668 K HN 0.156 nan 8.250 nan 0.000 0.500 669 N N 1.874 120.538 118.700 -0.061 0.000 2.421 669 N HA -0.050 4.678 4.740 -0.021 0.000 0.260 669 N C -0.802 174.768 175.510 0.101 0.000 1.173 669 N CA -0.042 52.989 53.050 -0.033 0.000 0.960 669 N CB 0.124 38.514 38.487 -0.162 0.000 1.273 669 N HN 0.349 nan 8.380 nan 0.000 0.497 670 N N 3.047 121.795 118.700 0.081 0.000 3.091 670 N HA 0.218 4.946 4.740 -0.021 0.000 0.255 670 N C -0.088 175.475 175.510 0.088 0.000 1.204 670 N CA -0.390 52.720 53.050 0.100 0.000 0.990 670 N CB 0.566 39.094 38.487 0.069 0.000 1.260 670 N HN 0.581 nan 8.380 nan 0.000 0.502 671 G N 1.394 110.261 108.800 0.111 0.000 2.614 671 G HA2 -0.050 3.897 3.960 -0.021 0.000 0.239 671 G HA3 -0.050 3.897 3.960 -0.021 0.000 0.239 671 G C 0.220 175.156 174.900 0.061 0.000 1.240 671 G CA -0.476 44.671 45.100 0.080 0.000 0.842 671 G HN 0.530 nan 8.290 nan 0.000 0.584 672 N N -0.572 118.154 118.700 0.043 0.000 2.412 672 N HA 0.169 4.897 4.740 -0.021 0.000 0.258 672 N C -0.563 174.964 175.510 0.028 0.000 1.236 672 N CA 0.125 53.194 53.050 0.032 0.000 0.882 672 N CB 1.437 39.937 38.487 0.021 0.000 1.066 672 N HN 0.325 nan 8.380 nan 0.000 0.465 673 L N 2.887 124.125 121.223 0.025 0.000 2.505 673 L HA 0.435 4.763 4.340 -0.021 0.000 0.266 673 L C -1.334 175.526 176.870 -0.017 0.000 0.954 673 L CA -0.582 54.266 54.840 0.014 0.000 0.852 673 L CB 1.576 43.663 42.059 0.046 0.000 1.282 673 L HN 0.366 nan 8.230 nan 0.000 0.403 674 N N 3.537 122.205 118.700 -0.052 0.000 2.370 674 N HA 0.714 5.442 4.740 -0.021 0.000 0.303 674 N C -1.371 174.027 175.510 -0.187 0.000 1.103 674 N CA -0.391 52.603 53.050 -0.092 0.000 0.848 674 N CB 2.756 41.198 38.487 -0.075 0.000 1.235 674 N HN 0.357 nan 8.380 nan 0.000 0.496 675 V N 1.070 120.823 119.914 -0.267 0.000 2.531 675 V HA 0.445 4.553 4.120 -0.021 0.000 0.301 675 V C -0.238 175.609 176.094 -0.413 0.000 1.034 675 V CA -0.528 61.479 62.300 -0.488 0.000 0.865 675 V CB 1.843 33.167 31.823 -0.833 0.000 0.995 675 V HN 0.608 nan 8.190 nan 0.000 0.424 676 T N 5.265 119.537 114.554 -0.471 0.000 2.812 676 T HA 0.613 4.951 4.350 -0.021 0.000 0.282 676 T C -0.763 173.613 174.700 -0.539 0.000 0.990 676 T CA -0.138 61.759 62.100 -0.339 0.000 0.960 676 T CB 0.728 69.478 68.868 -0.196 0.000 0.948 676 T HN 0.299 nan 8.240 nan 0.000 0.438 677 F N 3.009 122.786 119.950 -0.288 0.000 2.371 677 F HA 0.460 4.975 4.527 -0.021 0.000 0.363 677 F C 0.818 176.497 175.800 -0.201 0.000 1.122 677 F CA -0.665 57.059 58.000 -0.459 0.000 1.129 677 F CB 1.016 39.636 39.000 -0.634 0.000 1.173 677 F HN 0.252 nan 8.300 nan 0.000 0.489 678 K N 3.246 123.646 120.400 0.001 0.000 2.646 678 K HA 0.395 4.702 4.320 -0.021 0.000 0.210 678 K C 0.124 176.857 176.600 0.221 0.000 1.020 678 K CA -0.425 55.925 56.287 0.106 0.000 1.040 678 K CB 0.712 33.232 32.500 0.033 0.000 1.253 678 K HN 0.780 nan 8.250 nan 0.000 0.532 679 G N 2.659 111.692 108.800 0.388 0.000 2.321 679 G HA2 -0.095 3.852 3.960 -0.021 0.000 0.237 679 G HA3 -0.095 3.852 3.960 -0.021 0.000 0.237 679 G C 0.497 175.520 174.900 0.204 0.000 1.282 679 G CA -0.214 45.126 45.100 0.399 0.000 0.886 679 G HN 0.692 nan 8.290 nan 0.000 0.528 680 K N 0.369 120.872 120.400 0.172 0.000 2.160 680 K HA -0.072 4.235 4.320 -0.021 0.000 0.206 680 K C 1.441 178.085 176.600 0.075 0.000 1.047 680 K CA 1.477 57.827 56.287 0.104 0.000 0.930 680 K CB -0.011 32.542 32.500 0.089 0.000 0.720 680 K HN 0.426 nan 8.250 nan 0.000 0.450 681 S N -0.813 114.928 115.700 0.068 0.000 2.627 681 S HA 0.153 4.611 4.470 -0.021 0.000 0.283 681 S C 0.187 174.812 174.600 0.042 0.000 1.127 681 S CA -0.836 57.390 58.200 0.043 0.000 0.863 681 S CB 1.838 65.051 63.200 0.022 0.000 1.121 681 S HN 0.130 nan 8.310 nan 0.000 0.479 682 E N 0.798 121.016 120.200 0.031 0.000 2.401 682 E HA -0.129 4.209 4.350 -0.021 0.000 0.199 682 E C 1.181 177.781 176.600 0.000 0.000 1.023 682 E CA 0.844 57.259 56.400 0.025 0.000 0.859 682 E CB -0.030 29.683 29.700 0.021 0.000 0.780 682 E HN 0.602 nan 8.360 nan 0.000 0.523 683 Q N 0.228 120.022 119.800 -0.012 0.000 2.425 683 Q HA 0.037 4.365 4.340 -0.021 0.000 0.204 683 Q C -0.077 175.875 176.000 -0.080 0.000 0.933 683 Q CA -0.144 55.640 55.803 -0.031 0.000 0.939 683 Q CB 0.151 28.876 28.738 -0.021 0.000 1.044 683 Q HN 0.187 nan 8.270 nan 0.000 0.513 684 N N 1.463 120.093 118.700 -0.116 0.000 2.492 684 N HA 0.092 4.819 4.740 -0.021 0.000 0.260 684 N C -0.763 174.456 175.510 -0.486 0.000 1.215 684 N CA 0.443 53.318 53.050 -0.292 0.000 0.923 684 N CB 0.575 38.884 38.487 -0.296 0.000 1.092 684 N HN 0.014 nan 8.380 nan 0.000 0.448 685 R N 1.400 121.560 120.500 -0.567 0.000 2.686 685 R HA 0.516 4.844 4.340 -0.021 0.000 0.286 685 R C -1.243 174.734 176.300 -0.540 0.000 0.969 685 R CA -0.634 55.233 56.100 -0.387 0.000 0.898 685 R CB 1.286 31.586 30.300 -0.001 0.000 1.183 685 R HN 0.383 nan 8.270 nan 0.000 0.456 686 F N 2.037 122.065 119.950 0.130 0.000 2.563 686 F HA 0.562 5.076 4.527 -0.021 0.000 0.316 686 F C -0.666 175.216 175.800 0.137 0.000 1.076 686 F CA -1.122 56.935 58.000 0.095 0.000 0.921 686 F CB 1.735 40.653 39.000 -0.137 0.000 1.209 686 F HN 0.204 nan 8.300 nan 0.000 0.462 687 L N 3.790 125.221 121.223 0.348 0.000 2.438 687 L HA 0.703 5.031 4.340 -0.021 0.000 0.270 687 L C -1.932 175.092 176.870 0.256 0.000 0.972 687 L CA -0.417 54.582 54.840 0.265 0.000 0.831 687 L CB 1.722 43.889 42.059 0.181 0.000 1.273 687 L HN 0.542 nan 8.230 nan 0.000 0.405 688 L N 4.607 125.953 121.223 0.205 0.000 2.356 688 L HA 0.572 4.899 4.340 -0.021 0.000 0.277 688 L C 0.327 177.336 176.870 0.233 0.000 0.996 688 L CA -0.212 54.786 54.840 0.263 0.000 0.822 688 L CB 1.993 44.255 42.059 0.340 0.000 1.256 688 L HN 0.805 nan 8.230 nan 0.000 0.413 689 T N -2.648 111.968 114.554 0.103 0.000 3.170 689 T HA 0.226 4.564 4.350 -0.021 0.000 0.288 689 T C 0.845 175.457 174.700 -0.148 0.000 0.992 689 T CA 0.270 62.393 62.100 0.038 0.000 0.909 689 T CB 0.849 69.677 68.868 -0.067 0.000 1.133 689 T HN 0.613 nan 8.240 nan 0.000 0.530 690 G N 1.172 109.785 108.800 -0.311 0.000 2.571 690 G HA2 0.671 4.619 3.960 -0.021 0.000 0.225 690 G HA3 0.671 4.619 3.960 -0.021 0.000 0.225 690 G C 0.508 174.852 174.900 -0.928 0.000 1.731 690 G CA 0.077 44.689 45.100 -0.813 0.000 0.858 690 G HN 0.953 nan 8.290 nan 0.000 0.611 691 G N -1.839 106.445 108.800 -0.861 0.000 2.368 691 G HA2 0.565 4.513 3.960 -0.021 0.000 0.293 691 G HA3 0.565 4.513 3.960 -0.021 0.000 0.293 691 G C -1.078 173.786 174.900 -0.060 0.000 1.467 691 G CA 0.350 45.035 45.100 -0.692 0.000 0.804 691 G HN 1.086 nan 8.290 nan 0.000 0.535 692 T N -1.696 112.904 114.554 0.076 0.000 2.909 692 T HA 0.702 5.040 4.350 -0.021 0.000 0.299 692 T C -0.640 174.185 174.700 0.209 0.000 1.073 692 T CA -0.849 61.439 62.100 0.313 0.000 0.999 692 T CB 2.248 71.383 68.868 0.445 0.000 1.098 692 T HN 0.752 nan 8.240 nan 0.000 0.477 693 N N 2.887 121.710 118.700 0.205 0.000 2.726 693 N HA 0.264 4.991 4.740 -0.021 0.000 0.253 693 N C -1.118 174.470 175.510 0.130 0.000 1.530 693 N CA -0.411 52.720 53.050 0.135 0.000 0.772 693 N CB 0.528 39.071 38.487 0.092 0.000 1.220 693 N HN 0.575 nan 8.380 nan 0.000 0.508 694 L N 1.648 122.949 121.223 0.131 0.000 2.276 694 L HA 0.350 4.677 4.340 -0.021 0.000 0.286 694 L C 0.200 177.113 176.870 0.072 0.000 1.061 694 L CA -0.736 54.165 54.840 0.101 0.000 0.807 694 L CB 0.956 43.066 42.059 0.086 0.000 1.177 694 L HN 0.291 nan 8.230 nan 0.000 0.429 695 N N 3.754 122.490 118.700 0.060 0.000 2.807 695 N HA 0.417 5.145 4.740 -0.021 0.000 0.259 695 N C 0.231 175.761 175.510 0.033 0.000 1.149 695 N CA 0.126 53.203 53.050 0.044 0.000 1.042 695 N CB 1.075 39.587 38.487 0.041 0.000 1.367 695 N HN 0.913 nan 8.380 nan 0.000 0.516 696 G N 0.601 109.418 108.800 0.029 0.000 2.345 696 G HA2 0.004 3.952 3.960 -0.021 0.000 0.285 696 G HA3 0.004 3.952 3.960 -0.021 0.000 0.285 696 G C -2.052 172.854 174.900 0.011 0.000 1.297 696 G CA -0.721 44.387 45.100 0.013 0.000 0.875 696 G HN 0.198 nan 8.290 nan 0.000 0.506 697 D N -0.120 120.275 120.400 -0.008 0.000 2.350 697 D HA 0.585 5.212 4.640 -0.021 0.000 0.245 697 D C -0.672 175.612 176.300 -0.027 0.000 1.036 697 D CA -0.327 53.669 54.000 -0.008 0.000 0.848 697 D CB 2.385 43.177 40.800 -0.014 0.000 1.307 697 D HN 0.427 nan 8.370 nan 0.000 0.469 698 L N 1.834 123.055 121.223 -0.003 0.000 2.272 698 L HA 0.403 4.731 4.340 -0.021 0.000 0.289 698 L C -0.672 176.207 176.870 0.015 0.000 1.032 698 L CA -0.096 54.744 54.840 0.000 0.000 0.810 698 L CB 0.442 42.530 42.059 0.048 0.000 1.205 698 L HN 0.192 nan 8.230 nan 0.000 0.422 699 K N 4.269 124.676 120.400 0.012 0.000 2.324 699 K HA 0.703 5.010 4.320 -0.021 0.000 0.253 699 K C -1.481 175.163 176.600 0.074 0.000 0.932 699 K CA -0.884 55.415 56.287 0.019 0.000 0.799 699 K CB 2.572 35.063 32.500 -0.014 0.000 1.154 699 K HN 0.371 nan 8.250 nan 0.000 0.425 700 V N 2.946 122.895 119.914 0.058 0.000 2.376 700 V HA 0.178 4.286 4.120 -0.021 0.000 0.287 700 V C 0.287 176.416 176.094 0.059 0.000 1.015 700 V CA -0.478 61.870 62.300 0.081 0.000 0.834 700 V CB 1.112 32.951 31.823 0.026 0.000 1.001 700 V HN 0.869 nan 8.190 nan 0.000 0.428 701 E N 2.754 122.998 120.200 0.073 0.000 2.340 701 E HA 0.221 4.559 4.350 -0.021 0.000 0.198 701 E C 0.489 177.133 176.600 0.073 0.000 0.961 701 E CA 0.145 56.577 56.400 0.054 0.000 0.905 701 E CB 0.982 30.704 29.700 0.037 0.000 0.884 701 E HN 0.570 nan 8.360 nan 0.000 0.491 702 K N -0.305 120.167 120.400 0.121 0.000 2.561 702 K HA 0.426 4.733 4.320 -0.021 0.000 0.254 702 K C -0.694 176.039 176.600 0.221 0.000 0.942 702 K CA 0.152 56.519 56.287 0.132 0.000 0.818 702 K CB 1.676 34.245 32.500 0.114 0.000 1.306 702 K HN 0.176 nan 8.250 nan 0.000 0.435 703 G N 1.084 109.970 108.800 0.144 0.000 2.526 703 G HA2 -0.121 3.827 3.960 -0.021 0.000 0.250 703 G HA3 -0.121 3.827 3.960 -0.021 0.000 0.250 703 G C -1.238 173.704 174.900 0.070 0.000 1.289 703 G CA -0.568 44.603 45.100 0.119 0.000 0.947 703 G HN 0.540 nan 8.290 nan 0.000 0.517 704 T N 0.591 115.136 114.554 -0.015 0.000 2.841 704 T HA 0.562 4.900 4.350 -0.021 0.000 0.285 704 T C -0.628 173.960 174.700 -0.187 0.000 0.991 704 T CA -0.286 61.717 62.100 -0.162 0.000 0.966 704 T CB 1.617 70.326 68.868 -0.265 0.000 0.962 704 T HN 1.132 nan 8.240 nan 0.000 0.438 705 L N 4.197 125.262 121.223 -0.263 0.000 2.296 705 L HA 0.705 5.033 4.340 -0.021 0.000 0.286 705 L C -1.631 174.992 176.870 -0.411 0.000 1.023 705 L CA -0.626 54.041 54.840 -0.287 0.000 0.812 705 L CB 0.201 42.008 42.059 -0.421 0.000 1.223 705 L HN 0.500 nan 8.230 nan 0.000 0.421 706 F N 5.672 125.598 119.950 -0.039 0.000 2.411 706 F HA 0.519 5.034 4.527 -0.021 0.000 0.352 706 F C -0.191 175.555 175.800 -0.089 0.000 1.123 706 F CA -0.504 57.485 58.000 -0.018 0.000 1.044 706 F CB 1.214 40.210 39.000 -0.007 0.000 1.135 706 F HN 0.241 nan 8.300 nan 0.000 0.461 707 L N 2.919 124.143 121.223 0.002 0.000 2.309 707 L HA 0.690 5.017 4.340 -0.021 0.000 0.282 707 L C 0.075 176.961 176.870 0.027 0.000 1.036 707 L CA -0.447 54.266 54.840 -0.211 0.000 0.806 707 L CB 1.720 43.402 42.059 -0.628 0.000 1.220 707 L HN 0.649 nan 8.230 nan 0.000 0.429 708 S N 0.856 116.642 115.700 0.144 0.000 2.588 708 S HA 0.728 5.185 4.470 -0.021 0.000 0.269 708 S C -0.240 174.514 174.600 0.257 0.000 1.157 708 S CA -0.185 58.134 58.200 0.198 0.000 0.824 708 S CB 1.718 65.022 63.200 0.174 0.000 1.126 708 S HN 0.757 nan 8.310 nan 0.000 0.464 709 G N 1.123 110.062 108.800 0.233 0.000 2.516 709 G HA2 0.691 4.639 3.960 -0.021 0.000 0.276 709 G HA3 0.691 4.639 3.960 -0.021 0.000 0.276 709 G C -0.578 174.410 174.900 0.146 0.000 1.390 709 G CA -0.554 44.668 45.100 0.204 0.000 1.050 709 G HN 0.989 nan 8.290 nan 0.000 0.519 710 R N -1.861 118.593 120.500 -0.077 0.000 2.739 710 R HA 0.538 4.865 4.340 -0.021 0.000 0.271 710 R C -3.243 172.454 176.300 -1.004 0.000 1.010 710 R CA -1.774 53.944 56.100 -0.638 0.000 0.897 710 R CB 1.033 31.083 30.300 -0.416 0.000 1.236 710 R HN 0.218 nan 8.270 nan 0.000 0.466 711 P HA 0.039 nan 4.420 nan 0.000 0.269 711 P C -0.529 176.445 177.300 -0.543 0.000 1.209 711 P CA 0.028 62.377 63.100 -1.251 0.000 0.776 711 P CB 0.533 31.660 31.700 -0.956 0.000 0.876 712 T N 5.239 119.603 114.554 -0.318 0.000 2.908 712 T HA 0.107 4.445 4.350 -0.021 0.000 0.301 712 T C -2.066 172.393 174.700 -0.401 0.000 1.019 712 T CA -0.414 61.512 62.100 -0.289 0.000 1.152 712 T CB -0.633 68.103 68.868 -0.220 0.000 0.966 712 T HN 0.309 nan 8.240 nan 0.000 0.540 713 P HA 0.176 nan 4.420 nan 0.000 0.268 713 P C -0.377 176.646 177.300 -0.462 0.000 1.205 713 P CA 0.062 62.986 63.100 -0.292 0.000 0.771 713 P CB 0.452 32.041 31.700 -0.185 0.000 0.858 714 H N 0.104 119.153 119.070 -0.034 0.000 2.930 714 H HA 0.488 5.032 4.556 -0.021 0.000 0.371 714 H C -0.317 175.007 175.328 -0.007 0.000 1.169 714 H CA -0.790 55.254 56.048 -0.006 0.000 1.157 714 H CB 2.169 31.931 29.762 -0.000 0.000 1.789 714 H HN 0.405 nan 8.280 nan 0.000 0.547 715 A N 2.772 125.672 122.820 0.134 0.000 2.445 715 A HA 0.230 4.537 4.320 -0.021 0.000 0.242 715 A C 0.546 178.132 177.584 0.004 0.000 1.075 715 A CA -0.327 51.735 52.037 0.042 0.000 0.777 715 A CB 0.135 19.151 19.000 0.027 0.000 1.013 715 A HN 0.670 nan 8.150 nan 0.000 0.493 716 R N 0.674 121.140 120.500 -0.057 0.000 2.640 716 R HA 0.046 4.373 4.340 -0.021 0.000 0.270 716 R C -0.588 175.646 176.300 -0.110 0.000 1.024 716 R CA 0.137 56.188 56.100 -0.083 0.000 1.085 716 R CB 0.340 30.547 30.300 -0.155 0.000 0.963 716 R HN 0.732 nan 8.270 nan 0.000 0.426 717 D N 3.430 123.782 120.400 -0.079 0.000 2.767 717 D HA 0.084 4.711 4.640 -0.021 0.000 0.241 717 D C 0.856 177.086 176.300 -0.116 0.000 1.187 717 D CA -0.054 53.892 54.000 -0.089 0.000 0.999 717 D CB -0.081 40.699 40.800 -0.034 0.000 1.042 717 D HN 0.467 nan 8.370 nan 0.000 0.510 718 I N 0.820 121.273 120.570 -0.195 0.000 2.208 718 I HA -0.268 3.890 4.170 -0.021 0.000 0.245 718 I C 2.239 178.300 176.117 -0.093 0.000 1.097 718 I CA 1.207 62.428 61.300 -0.132 0.000 1.363 718 I CB -0.033 37.912 38.000 -0.091 0.000 1.051 718 I HN 0.317 nan 8.210 nan 0.000 0.413 719 A N 0.254 122.966 122.820 -0.179 0.000 2.119 719 A HA 0.159 4.467 4.320 -0.021 0.000 0.217 719 A C 1.943 179.477 177.584 -0.083 0.000 1.153 719 A CA 0.922 52.911 52.037 -0.080 0.000 0.692 719 A CB -0.792 18.142 19.000 -0.110 0.000 0.799 719 A HN 0.590 nan 8.150 nan 0.000 0.458 720 G N -0.265 108.489 108.800 -0.076 0.000 2.221 720 G HA2 -0.281 3.667 3.960 -0.021 0.000 0.265 720 G HA3 -0.281 3.667 3.960 -0.021 0.000 0.265 720 G C 0.563 175.425 174.900 -0.063 0.000 1.041 720 G CA 0.711 45.778 45.100 -0.054 0.000 0.807 720 G HN 1.443 nan 8.290 nan 0.000 0.502 721 I N -2.793 117.727 120.570 -0.083 0.000 4.240 721 I HA 0.539 4.697 4.170 -0.021 0.000 0.331 721 I C 0.971 177.084 176.117 -0.008 0.000 1.381 721 I CA 0.194 61.438 61.300 -0.094 0.000 1.136 721 I CB 0.645 38.505 38.000 -0.234 0.000 1.137 721 I HN 0.154 nan 8.210 nan 0.000 0.411 722 S N 1.187 116.915 115.700 0.046 0.000 2.558 722 S HA 0.068 4.525 4.470 -0.021 0.000 0.293 722 S C 1.089 175.722 174.600 0.055 0.000 1.292 722 S CA 0.298 58.551 58.200 0.089 0.000 1.063 722 S CB 0.532 63.764 63.200 0.054 0.000 0.831 722 S HN 0.483 nan 8.310 nan 0.000 0.499 723 S N 2.986 118.728 115.700 0.071 0.000 2.577 723 S HA 0.128 4.586 4.470 -0.021 0.000 0.219 723 S C 0.402 175.019 174.600 0.029 0.000 0.962 723 S CA -0.222 58.008 58.200 0.050 0.000 0.921 723 S CB 0.236 63.477 63.200 0.068 0.000 0.789 723 S HN 0.766 nan 8.310 nan 0.000 0.497 724 T N 2.896 117.456 114.554 0.010 0.000 2.869 724 T HA 0.156 4.493 4.350 -0.021 0.000 0.295 724 T C 0.051 174.741 174.700 -0.017 0.000 0.987 724 T CA -0.148 61.935 62.100 -0.028 0.000 1.109 724 T CB 0.706 69.514 68.868 -0.100 0.000 0.932 724 T HN 0.137 nan 8.240 nan 0.000 0.518 725 K N 3.740 124.136 120.400 -0.006 0.000 2.363 725 K HA 0.098 4.405 4.320 -0.021 0.000 0.289 725 K C -0.147 176.469 176.600 0.026 0.000 1.063 725 K CA -0.067 56.229 56.287 0.014 0.000 0.967 725 K CB 0.186 32.702 32.500 0.027 0.000 0.987 725 K HN 0.436 nan 8.250 nan 0.000 0.473 726 K N 2.972 123.390 120.400 0.030 0.000 2.249 726 K HA 0.032 4.340 4.320 -0.021 0.000 0.280 726 K C -0.386 176.267 176.600 0.087 0.000 1.033 726 K CA -0.628 55.694 56.287 0.057 0.000 0.946 726 K CB 0.776 33.301 32.500 0.043 0.000 1.005 726 K HN 0.517 nan 8.250 nan 0.000 0.469 727 D N 2.973 123.470 120.400 0.162 0.000 2.346 727 D HA -0.039 4.588 4.640 -0.021 0.000 0.260 727 D C 0.612 176.976 176.300 0.108 0.000 1.252 727 D CA 0.266 54.389 54.000 0.205 0.000 0.895 727 D CB 0.920 41.980 40.800 0.432 0.000 1.097 727 D HN 0.352 nan 8.370 nan 0.000 0.489 728 Q N 2.538 122.315 119.800 -0.038 0.000 2.437 728 Q HA -0.133 4.195 4.340 -0.021 0.000 0.210 728 Q C 1.130 176.961 176.000 -0.281 0.000 0.972 728 Q CA 0.860 56.577 55.803 -0.143 0.000 0.903 728 Q CB -0.226 28.404 28.738 -0.180 0.000 0.967 728 Q HN 0.689 nan 8.270 nan 0.000 0.486 729 H N -1.368 117.512 119.070 -0.316 0.000 2.457 729 H HA -0.057 4.486 4.556 -0.021 0.000 0.294 729 H C 0.043 174.938 175.328 -0.721 0.000 1.064 729 H CA 0.849 56.476 56.048 -0.702 0.000 1.330 729 H CB 0.144 29.112 29.762 -1.324 0.000 1.395 729 H HN 0.102 nan 8.280 nan 0.000 0.541 730 F N -1.201 118.845 119.950 0.159 0.000 2.688 730 F HA 0.476 4.991 4.527 -0.021 0.000 0.376 730 F C 0.587 176.432 175.800 0.076 0.000 1.428 730 F CA -0.411 57.658 58.000 0.116 0.000 1.156 730 F CB 0.531 39.611 39.000 0.134 0.000 1.141 730 F HN 0.043 nan 8.300 nan 0.000 0.521 731 A N -0.996 121.915 122.820 0.151 0.000 2.503 731 A HA 0.290 4.598 4.320 -0.021 0.000 0.263 731 A C 0.640 178.271 177.584 0.077 0.000 1.258 731 A CA -0.244 51.853 52.037 0.101 0.000 0.936 731 A CB -0.231 18.798 19.000 0.048 0.000 1.070 731 A HN 0.322 nan 8.150 nan 0.000 0.522 732 E N 1.436 121.689 120.200 0.088 0.000 2.437 732 E HA 0.049 4.387 4.350 -0.021 0.000 0.263 732 E C -0.089 176.571 176.600 0.100 0.000 1.030 732 E CA 0.132 56.577 56.400 0.074 0.000 0.934 732 E CB 0.113 29.855 29.700 0.071 0.000 0.943 732 E HN 0.397 nan 8.360 nan 0.000 0.444 733 N N 3.129 121.887 118.700 0.097 0.000 2.725 733 N HA -0.251 4.477 4.740 -0.021 0.000 0.249 733 N C -0.842 174.721 175.510 0.089 0.000 1.103 733 N CA 1.034 54.172 53.050 0.146 0.000 0.707 733 N CB -1.347 37.321 38.487 0.302 0.000 1.043 733 N HN 0.697 nan 8.380 nan 0.000 0.553 734 N N -1.704 117.026 118.700 0.051 0.000 2.708 734 N HA -0.203 4.525 4.740 -0.021 0.000 0.251 734 N C -0.422 175.101 175.510 0.021 0.000 1.123 734 N CA 1.304 54.364 53.050 0.018 0.000 0.739 734 N CB -1.072 37.405 38.487 -0.016 0.000 1.113 734 N HN 0.655 nan 8.380 nan 0.000 0.561 735 E N 0.417 120.652 120.200 0.058 0.000 2.383 735 E HA 0.298 4.636 4.350 -0.021 0.000 0.264 735 E C 0.015 176.659 176.600 0.073 0.000 1.050 735 E CA -0.057 56.383 56.400 0.067 0.000 0.896 735 E CB 1.169 30.932 29.700 0.105 0.000 0.982 735 E HN -0.044 nan 8.360 nan 0.000 0.424 736 V N 3.916 123.875 119.914 0.074 0.000 2.326 736 V HA 0.205 4.312 4.120 -0.021 0.000 0.281 736 V C -0.500 175.666 176.094 0.120 0.000 1.015 736 V CA -0.605 61.741 62.300 0.076 0.000 0.823 736 V CB 1.316 33.166 31.823 0.045 0.000 1.009 736 V HN 0.344 nan 8.190 nan 0.000 0.436 737 V N 5.917 125.913 119.914 0.138 0.000 2.409 737 V HA 0.480 4.588 4.120 -0.021 0.000 0.291 737 V C -0.209 176.012 176.094 0.211 0.000 1.020 737 V CA -0.600 61.798 62.300 0.164 0.000 0.848 737 V CB 2.202 34.139 31.823 0.190 0.000 0.990 737 V HN 0.562 nan 8.190 nan 0.000 0.430 738 V N 5.036 125.085 119.914 0.225 0.000 2.370 738 V HA 0.260 4.367 4.120 -0.021 0.000 0.283 738 V C 1.233 177.542 176.094 0.358 0.000 1.023 738 V CA -0.346 62.083 62.300 0.215 0.000 0.857 738 V CB 1.455 33.349 31.823 0.117 0.000 0.985 738 V HN 1.071 nan 8.190 nan 0.000 0.443 739 E N 2.909 123.285 120.200 0.294 0.000 2.274 739 E HA -0.176 4.162 4.350 -0.021 0.000 0.194 739 E C 0.575 177.272 176.600 0.162 0.000 0.996 739 E CA 1.261 57.825 56.400 0.273 0.000 0.840 739 E CB 0.079 29.885 29.700 0.177 0.000 0.772 739 E HN 0.819 nan 8.360 nan 0.000 0.491 740 D N 0.469 120.977 120.400 0.180 0.000 2.501 740 D HA 0.049 4.677 4.640 -0.021 0.000 0.226 740 D C -0.458 175.962 176.300 0.201 0.000 1.198 740 D CA -0.323 53.763 54.000 0.142 0.000 0.830 740 D CB 0.254 41.108 40.800 0.090 0.000 1.014 740 D HN 0.022 nan 8.370 nan 0.000 0.496 741 D N 0.269 120.865 120.400 0.327 0.000 2.552 741 D HA 0.189 4.817 4.640 -0.021 0.000 0.285 741 D C -1.536 174.994 176.300 0.384 0.000 1.206 741 D CA -0.318 53.861 54.000 0.299 0.000 0.826 741 D CB -0.086 40.869 40.800 0.259 0.000 1.179 741 D HN -0.039 nan 8.370 nan 0.000 0.508 742 W N 1.595 122.905 121.300 0.017 0.000 2.736 742 W HA 0.580 5.227 4.660 -0.021 0.000 0.355 742 W C 0.083 176.582 176.519 -0.034 0.000 1.102 742 W CA -0.827 56.499 57.345 -0.032 0.000 1.164 742 W CB 1.009 30.423 29.460 -0.076 0.000 1.422 742 W HN 0.014 nan 8.180 nan 0.000 0.572 743 I N 2.431 123.077 120.570 0.126 0.000 2.336 743 I HA 0.183 4.340 4.170 -0.021 0.000 0.292 743 I C -0.011 176.153 176.117 0.078 0.000 0.991 743 I CA -0.667 60.662 61.300 0.048 0.000 1.227 743 I CB 0.663 38.634 38.000 -0.050 0.000 1.366 743 I HN 0.293 nan 8.210 nan 0.000 0.466 744 N N 6.095 124.837 118.700 0.070 0.000 2.520 744 N HA 0.299 5.027 4.740 -0.021 0.000 0.273 744 N C -0.622 174.905 175.510 0.028 0.000 1.155 744 N CA -0.592 52.500 53.050 0.070 0.000 0.967 744 N CB 0.746 39.277 38.487 0.074 0.000 1.092 744 N HN 0.351 nan 8.380 nan 0.000 0.457 745 R N 1.556 122.074 120.500 0.030 0.000 2.803 745 R HA 0.431 4.759 4.340 -0.021 0.000 0.276 745 R C -0.924 175.309 176.300 -0.112 0.000 0.978 745 R CA -0.806 55.244 56.100 -0.084 0.000 0.939 745 R CB 1.090 31.313 30.300 -0.128 0.000 1.179 745 R HN 0.676 nan 8.270 nan 0.000 0.472 746 N N 0.547 119.059 118.700 -0.313 0.000 2.269 746 N HA 0.543 5.270 4.740 -0.021 0.000 0.304 746 N C -1.428 173.771 175.510 -0.517 0.000 1.072 746 N CA -0.445 52.481 53.050 -0.206 0.000 0.802 746 N CB 1.668 40.111 38.487 -0.074 0.000 1.348 746 N HN 0.232 nan 8.380 nan 0.000 0.484 747 F N 1.304 121.312 119.950 0.097 0.000 2.539 747 F HA 0.412 4.927 4.527 -0.021 0.000 0.328 747 F C 0.102 175.962 175.800 0.101 0.000 1.148 747 F CA -0.799 57.266 58.000 0.108 0.000 0.940 747 F CB 1.503 40.565 39.000 0.103 0.000 1.194 747 F HN 0.120 nan 8.300 nan 0.000 0.438 748 K N 2.929 123.462 120.400 0.223 0.000 2.316 748 K HA 0.951 5.258 4.320 -0.021 0.000 0.251 748 K C -1.518 175.178 176.600 0.159 0.000 0.934 748 K CA -0.428 55.956 56.287 0.162 0.000 0.802 748 K CB 2.101 34.664 32.500 0.106 0.000 1.171 748 K HN 0.799 nan 8.250 nan 0.000 0.426 749 A N 1.874 124.768 122.820 0.124 0.000 2.599 749 A HA 0.435 4.743 4.320 -0.021 0.000 0.290 749 A C 0.433 178.059 177.584 0.071 0.000 1.101 749 A CA -0.459 51.636 52.037 0.098 0.000 0.674 749 A CB 0.924 19.982 19.000 0.097 0.000 1.277 749 A HN 0.635 nan 8.150 nan 0.000 0.419 750 T N 1.097 115.682 114.554 0.052 0.000 2.737 750 T HA 0.045 4.383 4.350 -0.021 0.000 0.265 750 T C 0.648 175.369 174.700 0.035 0.000 1.038 750 T CA 1.429 63.553 62.100 0.039 0.000 1.144 750 T CB -0.237 68.648 68.868 0.028 0.000 0.866 750 T HN 0.583 nan 8.240 nan 0.000 0.434 751 N N 0.044 118.763 118.700 0.031 0.000 2.242 751 N HA 0.496 5.224 4.740 -0.021 0.000 0.292 751 N C -1.520 174.007 175.510 0.028 0.000 1.125 751 N CA -0.482 52.583 53.050 0.024 0.000 0.783 751 N CB 2.467 40.960 38.487 0.010 0.000 1.558 751 N HN 0.122 nan 8.380 nan 0.000 0.472 752 I N 1.528 122.114 120.570 0.027 0.000 2.418 752 I HA 0.266 4.423 4.170 -0.021 0.000 0.287 752 I C -0.456 175.668 176.117 0.012 0.000 1.008 752 I CA -0.572 60.744 61.300 0.025 0.000 1.104 752 I CB 1.513 39.534 38.000 0.035 0.000 1.264 752 I HN 0.241 nan 8.210 nan 0.000 0.438 753 N N 5.983 124.687 118.700 0.008 0.000 2.399 753 N HA 0.488 5.216 4.740 -0.021 0.000 0.280 753 N C -1.444 174.068 175.510 0.003 0.000 1.008 753 N CA -0.263 52.788 53.050 0.001 0.000 0.894 753 N CB 2.550 41.035 38.487 -0.003 0.000 1.273 753 N HN 0.197 nan 8.380 nan 0.000 0.486 754 V N 2.433 122.348 119.914 0.000 0.000 2.487 754 V HA 0.565 4.672 4.120 -0.021 0.000 0.298 754 V C 0.448 176.543 176.094 0.001 0.000 1.028 754 V CA -0.564 61.736 62.300 0.000 0.000 0.860 754 V CB 1.396 33.214 31.823 -0.008 0.000 0.991 754 V HN 0.816 nan 8.190 nan 0.000 0.427 755 T N 0.851 115.408 114.554 0.006 0.000 2.831 755 T HA 0.636 4.973 4.350 -0.021 0.000 0.287 755 T C 0.153 174.859 174.700 0.010 0.000 1.070 755 T CA -0.141 61.962 62.100 0.006 0.000 1.010 755 T CB 1.678 70.550 68.868 0.006 0.000 1.264 755 T HN 0.700 nan 8.240 nan 0.000 0.532 756 N N 0.499 119.205 118.700 0.009 0.000 1.170 756 N HA -0.241 4.487 4.740 -0.021 0.000 0.121 756 N C -0.132 175.385 175.510 0.012 0.000 0.786 756 N CA 1.279 54.336 53.050 0.013 0.000 0.876 756 N CB -1.077 37.422 38.487 0.019 0.000 1.094 756 N HN 0.761 nan 8.380 nan 0.000 0.586 757 N N 0.898 119.607 118.700 0.016 0.000 2.251 757 N HA 0.361 5.088 4.740 -0.021 0.000 0.217 757 N C -0.529 174.987 175.510 0.011 0.000 1.124 757 N CA 0.438 53.495 53.050 0.013 0.000 0.843 757 N CB 0.301 38.797 38.487 0.015 0.000 1.024 757 N HN 0.524 nan 8.380 nan 0.000 0.501 758 A N 0.273 123.101 122.820 0.013 0.000 2.366 758 A HA 0.524 4.832 4.320 -0.021 0.000 0.249 758 A C 0.336 177.906 177.584 -0.024 0.000 1.084 758 A CA 0.290 52.333 52.037 0.010 0.000 0.794 758 A CB 0.374 19.391 19.000 0.028 0.000 1.034 758 A HN 0.100 nan 8.150 nan 0.000 0.491 759 T N 1.025 115.547 114.554 -0.054 0.000 2.876 759 T HA 0.556 4.894 4.350 -0.021 0.000 0.289 759 T C -0.906 173.686 174.700 -0.180 0.000 1.014 759 T CA -0.231 61.795 62.100 -0.123 0.000 0.986 759 T CB 1.128 69.925 68.868 -0.118 0.000 1.021 759 T HN 0.623 nan 8.240 nan 0.000 0.458 760 L N 3.249 124.334 121.223 -0.231 0.000 2.381 760 L HA 0.664 4.991 4.340 -0.021 0.000 0.274 760 L C -1.822 174.851 176.870 -0.328 0.000 0.988 760 L CA -0.824 53.874 54.840 -0.236 0.000 0.824 760 L CB 1.145 43.112 42.059 -0.154 0.000 1.263 760 L HN 0.674 nan 8.230 nan 0.000 0.410 761 Y N 2.551 122.697 120.300 -0.257 0.000 2.364 761 Y HA 0.484 5.021 4.550 -0.021 0.000 0.340 761 Y C 0.158 176.027 175.900 -0.052 0.000 0.975 761 Y CA -0.392 57.639 58.100 -0.116 0.000 1.089 761 Y CB 2.335 40.757 38.460 -0.063 0.000 1.192 761 Y HN 0.590 nan 8.280 nan 0.000 0.454 762 S N 1.595 117.371 115.700 0.127 0.000 2.454 762 S HA 0.892 5.349 4.470 -0.021 0.000 0.306 762 S C -0.059 174.647 174.600 0.177 0.000 1.100 762 S CA -0.367 57.890 58.200 0.095 0.000 1.087 762 S CB 1.595 64.810 63.200 0.025 0.000 1.019 762 S HN 0.868 nan 8.310 nan 0.000 0.480 763 G N 2.147 111.049 108.800 0.171 0.000 3.135 763 G HA2 0.590 4.538 3.960 -0.021 0.000 0.159 763 G HA3 0.590 4.538 3.960 -0.021 0.000 0.159 763 G C -0.395 174.536 174.900 0.051 0.000 1.244 763 G CA -1.300 43.913 45.100 0.188 0.000 0.965 763 G HN 1.025 nan 8.290 nan 0.000 0.599 764 R N -0.310 120.084 120.500 -0.176 0.000 2.643 764 R HA 0.212 4.539 4.340 -0.021 0.000 0.270 764 R C -0.019 175.932 176.300 -0.581 0.000 1.061 764 R CA 0.344 55.964 56.100 -0.800 0.000 1.107 764 R CB 0.086 29.554 30.300 -1.387 0.000 0.999 764 R HN 0.549 nan 8.270 nan 0.000 0.460 765 N N -0.448 117.797 118.700 -0.758 0.000 2.725 765 N HA -0.148 4.579 4.740 -0.021 0.000 0.249 765 N C -1.102 174.428 175.510 0.034 0.000 1.103 765 N CA 1.049 53.972 53.050 -0.210 0.000 0.707 765 N CB -0.781 37.678 38.487 -0.047 0.000 1.043 765 N HN 0.418 nan 8.380 nan 0.000 0.553 766 V N 0.745 120.707 119.914 0.080 0.000 2.348 766 V HA 0.378 4.485 4.120 -0.021 0.000 0.270 766 V C 1.427 177.634 176.094 0.188 0.000 1.037 766 V CA 0.383 62.805 62.300 0.203 0.000 0.872 766 V CB 1.354 33.331 31.823 0.257 0.000 1.002 766 V HN 0.365 nan 8.190 nan 0.000 0.464 767 A N 4.649 127.566 122.820 0.162 0.000 1.935 767 A HA 0.156 4.464 4.320 -0.021 0.000 0.214 767 A C 0.869 178.542 177.584 0.149 0.000 1.178 767 A CA 0.777 52.899 52.037 0.143 0.000 0.640 767 A CB 0.018 19.077 19.000 0.099 0.000 0.825 767 A HN 0.715 nan 8.150 nan 0.000 0.447 768 N N -0.982 117.814 118.700 0.159 0.000 2.324 768 N HA 0.489 5.216 4.740 -0.021 0.000 0.285 768 N C -1.844 173.793 175.510 0.212 0.000 1.076 768 N CA -0.243 52.902 53.050 0.158 0.000 0.864 768 N CB 1.992 40.542 38.487 0.104 0.000 1.632 768 N HN 0.120 nan 8.380 nan 0.000 0.478 769 I N 1.386 122.081 120.570 0.208 0.000 2.418 769 I HA 0.265 4.423 4.170 -0.021 0.000 0.287 769 I C -0.429 175.793 176.117 0.174 0.000 1.008 769 I CA -0.319 61.113 61.300 0.221 0.000 1.104 769 I CB 1.965 40.084 38.000 0.199 0.000 1.264 769 I HN 0.266 nan 8.210 nan 0.000 0.438 770 T N 4.041 118.690 114.554 0.158 0.000 2.991 770 T HA 0.511 4.848 4.350 -0.021 0.000 0.347 770 T C -0.537 174.229 174.700 0.110 0.000 1.122 770 T CA -0.551 61.621 62.100 0.120 0.000 1.062 770 T CB 0.846 69.770 68.868 0.093 0.000 1.043 770 T HN 0.590 nan 8.240 nan 0.000 0.491 771 S N 3.148 118.908 115.700 0.100 0.000 2.614 771 S HA 0.325 4.783 4.470 -0.021 0.000 0.280 771 S C -1.664 172.974 174.600 0.063 0.000 1.111 771 S CA -0.856 57.392 58.200 0.080 0.000 0.847 771 S CB 0.773 64.027 63.200 0.090 0.000 1.079 771 S HN 0.465 nan 8.310 nan 0.000 0.452 772 N N 1.623 120.348 118.700 0.041 0.000 2.503 772 N HA 0.495 5.223 4.740 -0.021 0.000 0.267 772 N C -0.651 174.864 175.510 0.008 0.000 1.214 772 N CA 0.154 53.214 53.050 0.017 0.000 0.959 772 N CB 0.327 38.818 38.487 0.006 0.000 1.142 772 N HN 0.595 nan 8.380 nan 0.000 0.455 773 I N 0.725 121.279 120.570 -0.027 0.000 2.466 773 I HA 0.233 4.391 4.170 -0.021 0.000 0.289 773 I C -0.342 175.729 176.117 -0.076 0.000 1.026 773 I CA -0.444 60.837 61.300 -0.031 0.000 1.078 773 I CB 1.949 39.942 38.000 -0.011 0.000 1.249 773 I HN 0.181 nan 8.210 nan 0.000 0.429 774 T N 4.937 119.464 114.554 -0.046 0.000 2.824 774 T HA 0.772 5.110 4.350 -0.021 0.000 0.282 774 T C -0.597 174.081 174.700 -0.036 0.000 0.993 774 T CA -0.623 61.444 62.100 -0.056 0.000 0.967 774 T CB 1.848 70.694 68.868 -0.037 0.000 0.960 774 T HN 0.661 nan 8.240 nan 0.000 0.441 775 A N 2.415 125.209 122.820 -0.044 0.000 2.393 775 A HA 0.915 5.223 4.320 -0.021 0.000 0.306 775 A C -0.146 177.425 177.584 -0.023 0.000 1.050 775 A CA -0.747 51.279 52.037 -0.019 0.000 0.724 775 A CB 1.407 20.411 19.000 0.005 0.000 1.248 775 A HN 0.955 nan 8.150 nan 0.000 0.424 776 S N 1.244 116.937 115.700 -0.012 0.000 2.720 776 S HA 0.854 5.311 4.470 -0.021 0.000 0.287 776 S C -0.267 174.330 174.600 -0.005 0.000 1.168 776 S CA 0.050 58.243 58.200 -0.012 0.000 0.832 776 S CB 1.100 64.294 63.200 -0.012 0.000 1.166 776 S HN 0.900 nan 8.310 nan 0.000 0.493 777 D N 1.253 121.651 120.400 -0.004 0.000 3.955 777 D HA -0.245 4.382 4.640 -0.021 0.000 0.142 777 D C 0.057 176.358 176.300 0.002 0.000 0.877 777 D CA 1.624 55.624 54.000 0.000 0.000 1.100 777 D CB -1.050 39.752 40.800 0.002 0.000 0.533 777 D HN 0.680 nan 8.370 nan 0.000 0.546 778 N N 1.379 120.082 118.700 0.004 0.000 2.328 778 N HA 0.427 5.154 4.740 -0.021 0.000 0.247 778 N C -0.897 174.616 175.510 0.005 0.000 1.165 778 N CA 0.650 53.703 53.050 0.006 0.000 0.873 778 N CB 0.311 38.802 38.487 0.008 0.000 1.125 778 N HN 0.543 nan 8.380 nan 0.000 0.513 779 A N 0.616 123.438 122.820 0.003 0.000 2.462 779 A HA 0.335 4.643 4.320 -0.021 0.000 0.243 779 A C -0.102 177.482 177.584 -0.001 0.000 1.076 779 A CA 0.231 52.267 52.037 -0.001 0.000 0.773 779 A CB 0.271 19.270 19.000 -0.001 0.000 1.010 779 A HN 0.356 nan 8.150 nan 0.000 0.493 780 K N 1.044 121.435 120.400 -0.016 0.000 2.413 780 K HA 0.562 4.869 4.320 -0.021 0.000 0.257 780 K C -1.504 175.067 176.600 -0.048 0.000 0.946 780 K CA -0.378 55.905 56.287 -0.007 0.000 0.823 780 K CB 2.257 34.756 32.500 -0.002 0.000 1.109 780 K HN 0.331 nan 8.250 nan 0.000 0.427 781 V N 3.661 123.554 119.914 -0.036 0.000 2.409 781 V HA 0.254 4.361 4.120 -0.021 0.000 0.290 781 V C -1.199 174.732 176.094 -0.271 0.000 1.017 781 V CA -0.932 61.308 62.300 -0.101 0.000 0.841 781 V CB 1.042 32.896 31.823 0.052 0.000 1.003 781 V HN 0.720 nan 8.190 nan 0.000 0.426 782 H N 4.616 123.366 119.070 -0.535 0.000 2.638 782 H HA 0.639 5.183 4.556 -0.021 0.000 0.317 782 H C -0.566 174.557 175.328 -0.341 0.000 1.006 782 H CA -0.370 55.373 56.048 -0.509 0.000 1.222 782 H CB 1.414 30.781 29.762 -0.658 0.000 1.419 782 H HN 0.544 nan 8.280 nan 0.000 0.489 783 I N 2.938 123.335 120.570 -0.288 0.000 2.382 783 I HA 0.541 4.699 4.170 -0.021 0.000 0.286 783 I C 0.179 176.261 176.117 -0.058 0.000 1.002 783 I CA -0.194 61.024 61.300 -0.138 0.000 1.135 783 I CB 1.490 39.406 38.000 -0.140 0.000 1.288 783 I HN 0.813 nan 8.210 nan 0.000 0.448 784 G N 4.579 113.417 108.800 0.064 0.000 2.906 784 G HA2 -0.194 3.753 3.960 -0.021 0.000 0.686 784 G HA3 -0.194 3.753 3.960 -0.021 0.000 0.686 784 G C -1.105 173.900 174.900 0.175 0.000 1.170 784 G CA -1.017 44.166 45.100 0.138 0.000 0.775 784 G HN 0.563 nan 8.290 nan 0.000 0.630 785 Y N 2.388 122.786 120.300 0.163 0.000 2.610 785 Y HA 0.486 5.024 4.550 -0.021 0.000 0.332 785 Y C 0.749 176.736 175.900 0.145 0.000 1.201 785 Y CA 0.626 58.824 58.100 0.163 0.000 1.465 785 Y CB 0.557 39.150 38.460 0.221 0.000 1.283 785 Y HN 0.542 nan 8.280 nan 0.000 0.563 786 K N 4.956 124.867 120.400 -0.816 0.000 2.371 786 K HA 0.673 4.980 4.320 -0.021 0.000 0.251 786 K C -0.818 175.197 176.600 -0.975 0.000 0.934 786 K CA -1.026 54.903 56.287 -0.598 0.000 0.798 786 K CB 1.781 34.144 32.500 -0.227 0.000 1.204 786 K HN 0.781 nan 8.250 nan 0.000 0.427 787 A N 1.077 123.651 122.820 -0.410 0.000 2.580 787 A HA 0.303 4.610 4.320 -0.021 0.000 0.244 787 A C 1.245 178.751 177.584 -0.129 0.000 1.045 787 A CA 1.481 53.449 52.037 -0.115 0.000 0.761 787 A CB -0.978 18.042 19.000 0.033 0.000 0.962 787 A HN 1.022 nan 8.150 nan 0.000 0.512 788 G N 2.265 111.041 108.800 -0.041 0.000 2.195 788 G HA2 -0.193 3.755 3.960 -0.021 0.000 0.246 788 G HA3 -0.193 3.755 3.960 -0.021 0.000 0.246 788 G C -0.008 174.852 174.900 -0.067 0.000 0.984 788 G CA 0.339 45.420 45.100 -0.032 0.000 0.633 788 G HN 0.841 nan 8.290 nan 0.000 0.525 789 D N 1.284 121.593 120.400 -0.151 0.000 2.357 789 D HA 0.486 5.114 4.640 -0.021 0.000 0.242 789 D C 0.932 177.193 176.300 -0.065 0.000 1.153 789 D CA 0.503 54.420 54.000 -0.139 0.000 0.918 789 D CB 0.585 41.285 40.800 -0.167 0.000 1.181 789 D HN 0.097 nan 8.370 nan 0.000 0.435 790 T N 0.620 115.065 114.554 -0.181 0.000 2.888 790 T HA 0.274 4.611 4.350 -0.021 0.000 0.301 790 T C 0.020 174.663 174.700 -0.096 0.000 1.001 790 T CA -0.303 61.684 62.100 -0.188 0.000 1.147 790 T CB 0.431 69.067 68.868 -0.387 0.000 0.931 790 T HN -0.020 nan 8.240 nan 0.000 0.541 791 V N 3.550 123.439 119.914 -0.041 0.000 2.409 791 V HA 0.389 4.497 4.120 -0.021 0.000 0.291 791 V C -0.028 176.103 176.094 0.060 0.000 1.020 791 V CA -0.827 61.486 62.300 0.023 0.000 0.848 791 V CB 1.392 33.252 31.823 0.063 0.000 0.990 791 V HN 1.049 nan 8.190 nan 0.000 0.430 792 C N 4.507 123.800 119.300 -0.011 0.000 2.493 792 C HA 0.849 5.297 4.460 -0.021 0.000 0.326 792 C C -0.054 174.857 174.990 -0.131 0.000 1.200 792 C CA -0.718 58.265 59.018 -0.058 0.000 1.739 792 C CB 1.625 29.257 27.740 -0.180 0.000 2.300 792 C HN 0.636 nan 8.230 nan 0.000 0.500 793 V N 2.728 122.494 119.914 -0.247 0.000 2.577 793 V HA 0.522 4.629 4.120 -0.021 0.000 0.303 793 V C -0.207 175.785 176.094 -0.171 0.000 1.042 793 V CA -0.566 61.492 62.300 -0.404 0.000 0.872 793 V CB 1.762 33.068 31.823 -0.862 0.000 0.998 793 V HN 0.851 nan 8.190 nan 0.000 0.423 794 R N 2.744 123.153 120.500 -0.151 0.000 2.265 794 R HA 0.482 4.809 4.340 -0.021 0.000 0.319 794 R C 0.292 176.563 176.300 -0.048 0.000 1.006 794 R CA -0.099 55.963 56.100 -0.063 0.000 0.880 794 R CB 1.266 31.540 30.300 -0.043 0.000 1.077 794 R HN 0.789 nan 8.270 nan 0.000 0.454 795 S N 2.834 118.542 115.700 0.013 0.000 2.525 795 S HA -0.029 4.428 4.470 -0.021 0.000 0.285 795 S C 0.529 175.177 174.600 0.080 0.000 1.283 795 S CA -0.400 57.834 58.200 0.056 0.000 1.072 795 S CB 0.557 63.818 63.200 0.101 0.000 0.867 795 S HN 0.670 nan 8.310 nan 0.000 0.492 796 D N 3.287 123.743 120.400 0.093 0.000 2.264 796 D HA -0.075 4.553 4.640 -0.021 0.000 0.208 796 D C 1.100 177.565 176.300 0.276 0.000 0.966 796 D CA 1.044 55.127 54.000 0.139 0.000 0.864 796 D CB -0.105 40.741 40.800 0.077 0.000 0.933 796 D HN 0.782 nan 8.370 nan 0.000 0.499 797 Y N 1.226 121.583 120.300 0.095 0.000 2.231 797 Y HA -0.078 4.460 4.550 -0.020 0.000 0.294 797 Y C 2.302 178.254 175.900 0.086 0.000 1.120 797 Y CA 1.837 59.998 58.100 0.101 0.000 1.141 797 Y CB -0.337 38.158 38.460 0.059 0.000 1.022 797 Y HN 0.021 nan 8.280 nan 0.000 0.523 798 T N -4.623 109.890 114.554 -0.070 0.000 2.969 798 T HA 0.354 4.692 4.350 -0.021 0.000 0.250 798 T C 1.680 175.944 174.700 -0.725 0.000 1.021 798 T CA 0.600 62.492 62.100 -0.346 0.000 1.003 798 T CB 0.024 68.832 68.868 -0.101 0.000 1.040 798 T HN 0.507 nan 8.240 nan 0.000 0.492 799 G N 0.645 109.156 108.800 -0.482 0.000 2.179 799 G HA2 -0.249 3.699 3.960 -0.021 0.000 0.260 799 G HA3 -0.249 3.699 3.960 -0.021 0.000 0.260 799 G C -0.101 174.584 174.900 -0.358 0.000 0.977 799 G CA 0.102 44.944 45.100 -0.430 0.000 0.641 799 G HN 0.626 nan 8.290 nan 0.000 0.533 800 Y N -0.108 120.094 120.300 -0.163 0.000 2.397 800 Y HA 0.466 5.003 4.550 -0.021 0.000 0.335 800 Y C 0.983 176.850 175.900 -0.055 0.000 1.213 800 Y CA -0.273 57.765 58.100 -0.103 0.000 1.391 800 Y CB 1.269 39.669 38.460 -0.099 0.000 1.293 800 Y HN 0.061 nan 8.280 nan 0.000 0.557 801 V N 2.706 122.693 119.914 0.122 0.000 2.435 801 V HA 0.365 4.473 4.120 -0.021 0.000 0.290 801 V C -0.153 175.993 176.094 0.086 0.000 1.030 801 V CA -0.722 61.614 62.300 0.059 0.000 0.881 801 V CB 1.697 33.526 31.823 0.009 0.000 0.983 801 V HN 0.790 nan 8.190 nan 0.000 0.445 802 T N 4.177 118.809 114.554 0.130 0.000 2.797 802 T HA 0.535 4.873 4.350 -0.021 0.000 0.279 802 T C -0.322 174.524 174.700 0.244 0.000 0.991 802 T CA -0.348 61.869 62.100 0.195 0.000 0.979 802 T CB 0.946 70.005 68.868 0.317 0.000 0.943 802 T HN 0.996 nan 8.240 nan 0.000 0.444 803 C N 1.398 120.776 119.300 0.129 0.000 2.707 803 C HA 0.974 5.421 4.460 -0.021 0.000 0.313 803 C C -0.015 175.004 174.990 0.048 0.000 1.209 803 C CA -0.740 58.332 59.018 0.089 0.000 1.635 803 C CB 1.155 28.817 27.740 -0.131 0.000 2.206 803 C HN 0.835 nan 8.230 nan 0.000 0.485 804 T N -0.166 114.400 114.554 0.020 0.000 2.903 804 T HA 0.676 5.014 4.350 -0.021 0.000 0.299 804 T C 0.602 175.258 174.700 -0.075 0.000 1.093 804 T CA 0.376 62.434 62.100 -0.070 0.000 1.002 804 T CB 1.611 70.319 68.868 -0.267 0.000 1.127 804 T HN 1.209 nan 8.240 nan 0.000 0.488 805 T N -0.219 114.300 114.554 -0.059 0.000 3.129 805 T HA 0.310 4.647 4.350 -0.021 0.000 0.267 805 T C -0.077 174.612 174.700 -0.019 0.000 1.018 805 T CA -0.484 61.592 62.100 -0.040 0.000 0.903 805 T CB -0.157 68.688 68.868 -0.038 0.000 1.067 805 T HN 0.478 nan 8.240 nan 0.000 0.549 806 D N 3.635 124.005 120.400 -0.049 0.000 2.455 806 D HA 0.134 4.761 4.640 -0.021 0.000 0.241 806 D C 0.482 176.786 176.300 0.006 0.000 1.138 806 D CA 0.151 54.144 54.000 -0.012 0.000 0.877 806 D CB 0.913 41.728 40.800 0.025 0.000 1.187 806 D HN 0.636 nan 8.370 nan 0.000 0.451 807 K N 1.484 121.923 120.400 0.065 0.000 2.295 807 K HA 0.208 4.515 4.320 -0.021 0.000 0.270 807 K C -0.015 176.646 176.600 0.103 0.000 1.011 807 K CA -0.538 55.829 56.287 0.135 0.000 0.953 807 K CB 0.606 33.178 32.500 0.122 0.000 0.956 807 K HN 0.317 nan 8.250 nan 0.000 0.477 808 L N 2.949 124.244 121.223 0.120 0.000 2.485 808 L HA -0.014 4.314 4.340 -0.021 0.000 0.275 808 L C 0.845 177.734 176.870 0.031 0.000 1.207 808 L CA -0.247 54.585 54.840 -0.014 0.000 0.855 808 L CB 0.698 42.635 42.059 -0.203 0.000 1.114 808 L HN 0.973 nan 8.230 nan 0.000 0.485 809 S N 0.813 116.528 115.700 0.026 0.000 2.580 809 S HA -0.019 4.439 4.470 -0.021 0.000 0.266 809 S C 0.709 175.316 174.600 0.011 0.000 1.354 809 S CA -0.622 57.597 58.200 0.031 0.000 1.008 809 S CB 0.796 64.019 63.200 0.038 0.000 0.898 809 S HN 0.604 nan 8.310 nan 0.000 0.555 810 D N 1.279 121.687 120.400 0.012 0.000 2.123 810 D HA -0.094 4.534 4.640 -0.021 0.000 0.196 810 D C 1.778 178.066 176.300 -0.021 0.000 0.992 810 D CA 1.564 55.561 54.000 -0.005 0.000 0.833 810 D CB -0.284 40.517 40.800 0.001 0.000 0.954 810 D HN 0.650 nan 8.370 nan 0.000 0.455 811 K N 0.467 120.864 120.400 -0.004 0.000 2.097 811 K HA -0.028 4.279 4.320 -0.021 0.000 0.206 811 K C 2.098 178.693 176.600 -0.009 0.000 1.049 811 K CA 1.158 57.443 56.287 -0.003 0.000 0.933 811 K CB -0.066 32.444 32.500 0.016 0.000 0.717 811 K HN 0.044 nan 8.250 nan 0.000 0.442 812 A N 0.932 123.747 122.820 -0.008 0.000 1.898 812 A HA -0.137 4.170 4.320 -0.021 0.000 0.216 812 A C 2.060 179.632 177.584 -0.020 0.000 1.181 812 A CA 1.134 53.160 52.037 -0.018 0.000 0.620 812 A CB -0.524 18.442 19.000 -0.057 0.000 0.819 812 A HN 0.245 nan 8.150 nan 0.000 0.442 813 L N 0.514 121.684 121.223 -0.089 0.000 2.083 813 L HA -0.117 4.211 4.340 -0.021 0.000 0.209 813 L C 1.507 178.090 176.870 -0.477 0.000 1.083 813 L CA 2.299 56.994 54.840 -0.241 0.000 0.752 813 L CB -0.792 41.195 42.059 -0.120 0.000 0.899 813 L HN 0.465 nan 8.230 nan 0.000 0.433 814 N N -1.336 117.216 118.700 -0.246 0.000 2.521 814 N HA -0.078 4.650 4.740 -0.021 0.000 0.188 814 N C 1.485 176.888 175.510 -0.178 0.000 1.146 814 N CA 0.681 53.600 53.050 -0.220 0.000 0.893 814 N CB 0.022 38.444 38.487 -0.109 0.000 0.975 814 N HN 0.475 nan 8.380 nan 0.000 0.451 815 S N -0.034 115.593 115.700 -0.122 0.000 2.558 815 S HA 0.056 4.513 4.470 -0.021 0.000 0.217 815 S C 0.226 174.889 174.600 0.106 0.000 0.975 815 S CA -0.310 57.901 58.200 0.019 0.000 0.912 815 S CB -0.451 62.803 63.200 0.091 0.000 0.776 815 S HN 0.326 nan 8.310 nan 0.000 0.526 816 F N -0.192 119.733 119.950 -0.042 0.000 2.603 816 F HA 0.717 5.231 4.527 -0.021 0.000 0.317 816 F C -0.653 175.147 175.800 0.000 0.000 1.066 816 F CA -1.637 56.351 58.000 -0.020 0.000 0.941 816 F CB 0.649 39.624 39.000 -0.042 0.000 1.291 816 F HN -0.222 nan 8.300 nan 0.000 0.472 817 N N 0.444 119.243 118.700 0.166 0.000 2.495 817 N HA 0.610 5.337 4.740 -0.021 0.000 0.280 817 N C -0.638 174.986 175.510 0.189 0.000 1.168 817 N CA -0.839 52.259 53.050 0.081 0.000 0.978 817 N CB 1.346 39.883 38.487 0.082 0.000 1.191 817 N HN 0.956 nan 8.380 nan 0.000 0.497 818 A N 0.574 123.466 122.820 0.121 0.000 2.520 818 A HA 0.083 4.391 4.320 -0.021 0.000 0.235 818 A C 0.075 177.780 177.584 0.202 0.000 1.065 818 A CA 0.046 52.191 52.037 0.179 0.000 0.764 818 A CB -0.121 18.961 19.000 0.138 0.000 1.002 818 A HN 0.581 nan 8.150 nan 0.000 0.502 819 T N 2.416 117.102 114.554 0.220 0.000 2.853 819 T HA 0.109 4.447 4.350 -0.021 0.000 0.298 819 T C 0.459 175.283 174.700 0.207 0.000 0.978 819 T CA 0.254 62.476 62.100 0.204 0.000 1.152 819 T CB -0.233 68.751 68.868 0.193 0.000 0.914 819 T HN 0.676 nan 8.240 nan 0.000 0.539 820 N N 3.282 122.111 118.700 0.215 0.000 2.401 820 N HA 0.250 4.978 4.740 -0.021 0.000 0.255 820 N C -0.939 174.732 175.510 0.269 0.000 1.110 820 N CA -0.288 52.932 53.050 0.284 0.000 0.949 820 N CB 0.435 39.045 38.487 0.205 0.000 1.110 820 N HN 0.285 nan 8.380 nan 0.000 0.490 821 V N 2.723 122.820 119.914 0.306 0.000 2.347 821 V HA 0.344 4.451 4.120 -0.021 0.000 0.280 821 V C 0.045 176.324 176.094 0.307 0.000 1.021 821 V CA -0.761 61.690 62.300 0.252 0.000 0.847 821 V CB 0.956 32.904 31.823 0.209 0.000 0.990 821 V HN 0.694 nan 8.190 nan 0.000 0.444 822 S N 4.070 119.910 115.700 0.233 0.000 2.601 822 S HA 0.851 5.308 4.470 -0.021 0.000 0.312 822 S C -0.031 174.659 174.600 0.149 0.000 1.107 822 S CA 0.326 58.652 58.200 0.210 0.000 1.129 822 S CB 0.391 63.665 63.200 0.123 0.000 0.982 822 S HN 1.371 nan 8.310 nan 0.000 0.469 823 G N 3.717 112.606 108.800 0.147 0.000 2.328 823 G HA2 0.195 4.142 3.960 -0.021 0.000 0.299 823 G HA3 0.195 4.142 3.960 -0.021 0.000 0.299 823 G C -2.075 172.867 174.900 0.070 0.000 1.435 823 G CA -0.981 44.175 45.100 0.093 0.000 0.865 823 G HN 0.555 nan 8.290 nan 0.000 0.601 824 N N -0.896 117.823 118.700 0.032 0.000 2.487 824 N HA 0.648 5.376 4.740 -0.021 0.000 0.292 824 N C -0.474 174.984 175.510 -0.086 0.000 1.108 824 N CA -0.349 52.697 53.050 -0.006 0.000 0.956 824 N CB 2.184 40.679 38.487 0.013 0.000 1.176 824 N HN 0.387 nan 8.380 nan 0.000 0.484 825 V N 1.809 121.616 119.914 -0.178 0.000 2.495 825 V HA 0.392 4.500 4.120 -0.021 0.000 0.298 825 V C -0.191 175.754 176.094 -0.248 0.000 1.031 825 V CA -0.848 61.258 62.300 -0.323 0.000 0.871 825 V CB 1.572 32.973 31.823 -0.704 0.000 0.988 825 V HN 0.551 nan 8.190 nan 0.000 0.432 826 N N 4.697 123.277 118.700 -0.201 0.000 2.399 826 N HA 0.646 5.373 4.740 -0.021 0.000 0.280 826 N C -1.367 174.058 175.510 -0.142 0.000 1.008 826 N CA -0.359 52.608 53.050 -0.139 0.000 0.894 826 N CB 2.465 40.904 38.487 -0.082 0.000 1.273 826 N HN 0.506 nan 8.380 nan 0.000 0.486 827 L N 1.169 122.314 121.223 -0.131 0.000 2.362 827 L HA 0.628 4.955 4.340 -0.021 0.000 0.271 827 L C 0.365 177.200 176.870 -0.059 0.000 1.002 827 L CA -0.624 54.156 54.840 -0.099 0.000 0.818 827 L CB 1.916 43.907 42.059 -0.113 0.000 1.298 827 L HN 0.540 nan 8.230 nan 0.000 0.420 828 S N 0.132 115.808 115.700 -0.039 0.000 2.705 828 S HA 0.909 5.367 4.470 -0.021 0.000 0.280 828 S C 0.102 174.692 174.600 -0.016 0.000 1.174 828 S CA -0.168 58.017 58.200 -0.025 0.000 0.823 828 S CB 1.453 64.639 63.200 -0.022 0.000 1.162 828 S HN 1.243 nan 8.310 nan 0.000 0.487 829 G N 2.174 110.967 108.800 -0.011 0.000 2.611 829 G HA2 -0.351 3.597 3.960 -0.021 0.000 0.301 829 G HA3 -0.351 3.597 3.960 -0.021 0.000 0.301 829 G C 0.245 175.143 174.900 -0.004 0.000 1.233 829 G CA 0.862 45.958 45.100 -0.006 0.000 0.993 829 G HN 1.316 nan 8.290 nan 0.000 0.553 830 N N 1.523 120.223 118.700 -0.001 0.000 2.238 830 N HA 0.535 5.263 4.740 -0.021 0.000 0.222 830 N C 0.829 176.341 175.510 0.003 0.000 1.133 830 N CA 1.208 54.259 53.050 0.002 0.000 0.854 830 N CB -0.118 38.372 38.487 0.005 0.000 1.041 830 N HN 1.042 nan 8.380 nan 0.000 0.510 831 A N 0.635 123.455 122.820 -0.001 0.000 2.540 831 A HA 0.169 4.476 4.320 -0.021 0.000 0.239 831 A C 0.130 177.719 177.584 0.009 0.000 1.061 831 A CA 0.014 52.053 52.037 0.003 0.000 0.758 831 A CB -0.046 18.951 19.000 -0.004 0.000 0.991 831 A HN 0.487 nan 8.150 nan 0.000 0.502 832 N N 0.870 119.578 118.700 0.014 0.000 2.407 832 N HA 0.524 5.251 4.740 -0.021 0.000 0.277 832 N C -1.787 173.726 175.510 0.003 0.000 0.995 832 N CA -0.458 52.591 53.050 -0.002 0.000 0.903 832 N CB 0.828 39.306 38.487 -0.016 0.000 1.218 832 N HN 0.445 nan 8.380 nan 0.000 0.487 833 F N 4.542 124.382 119.950 -0.183 0.000 2.460 833 F HA 0.567 5.081 4.527 -0.021 0.000 0.341 833 F C -1.295 174.335 175.800 -0.283 0.000 1.130 833 F CA -0.620 57.243 58.000 -0.228 0.000 0.962 833 F CB 0.977 39.854 39.000 -0.205 0.000 1.171 833 F HN 0.139 nan 8.300 nan 0.000 0.436 834 V N 7.560 126.962 119.914 -0.853 0.000 2.444 834 V HA 0.384 4.491 4.120 -0.021 0.000 0.294 834 V C -0.225 175.437 176.094 -0.721 0.000 1.022 834 V CA -0.809 61.058 62.300 -0.721 0.000 0.850 834 V CB 1.645 32.909 31.823 -0.932 0.000 0.992 834 V HN 0.653 nan 8.190 nan 0.000 0.426 835 L N 3.990 124.924 121.223 -0.483 0.000 2.312 835 L HA 0.711 5.039 4.340 -0.021 0.000 0.281 835 L C 1.062 177.835 176.870 -0.163 0.000 1.070 835 L CA 0.212 54.862 54.840 -0.316 0.000 0.805 835 L CB 1.503 43.457 42.059 -0.175 0.000 1.174 835 L HN 0.811 nan 8.230 nan 0.000 0.434 836 G N 1.570 110.320 108.800 -0.084 0.000 3.410 836 G HA2 0.156 4.103 3.960 -0.021 0.000 0.189 836 G HA3 0.156 4.103 3.960 -0.021 0.000 0.189 836 G C -0.404 174.537 174.900 0.067 0.000 1.404 836 G CA -0.439 44.656 45.100 -0.009 0.000 0.898 836 G HN 0.503 nan 8.290 nan 0.000 0.650 837 K N 0.992 121.477 120.400 0.141 0.000 2.110 837 K HA 0.529 4.837 4.320 -0.021 0.000 0.260 837 K C -0.627 176.087 176.600 0.191 0.000 1.126 837 K CA 0.093 56.492 56.287 0.185 0.000 1.005 837 K CB -0.489 32.162 32.500 0.252 0.000 1.336 837 K HN 0.553 nan 8.250 nan 0.000 0.369 838 A N 3.516 126.434 122.820 0.162 0.000 2.594 838 A HA 0.408 4.715 4.320 -0.021 0.000 0.296 838 A C -1.652 176.026 177.584 0.157 0.000 1.061 838 A CA -1.127 51.001 52.037 0.151 0.000 0.689 838 A CB 1.170 20.230 19.000 0.101 0.000 1.280 838 A HN 0.602 nan 8.150 nan 0.000 0.406 839 N N 1.238 120.023 118.700 0.142 0.000 2.446 839 N HA 0.478 5.205 4.740 -0.021 0.000 0.265 839 N C -1.337 174.138 175.510 -0.058 0.000 0.975 839 N CA -0.292 52.782 53.050 0.040 0.000 0.928 839 N CB 1.970 40.472 38.487 0.026 0.000 1.160 839 N HN 0.620 nan 8.380 nan 0.000 0.495 840 L N 2.913 124.099 121.223 -0.062 0.000 2.282 840 L HA 0.568 4.896 4.340 -0.021 0.000 0.288 840 L C -1.401 175.419 176.870 -0.084 0.000 1.033 840 L CA -0.256 54.598 54.840 0.024 0.000 0.807 840 L CB 0.121 42.238 42.059 0.097 0.000 1.209 840 L HN 0.297 nan 8.230 nan 0.000 0.423 841 F N 5.148 125.254 119.950 0.260 0.000 2.359 841 F HA 0.803 5.318 4.527 -0.021 0.000 0.369 841 F C 0.795 176.719 175.800 0.207 0.000 1.084 841 F CA -0.158 57.978 58.000 0.226 0.000 1.096 841 F CB 1.331 40.381 39.000 0.083 0.000 1.335 841 F HN 0.693 nan 8.300 nan 0.000 0.457 842 G N 0.653 109.690 108.800 0.395 0.000 2.322 842 G HA2 0.441 4.388 3.960 -0.021 0.000 0.295 842 G HA3 0.441 4.388 3.960 -0.021 0.000 0.295 842 G C -1.110 174.021 174.900 0.385 0.000 1.369 842 G CA -0.791 44.485 45.100 0.293 0.000 0.821 842 G HN 0.468 nan 8.290 nan 0.000 0.536 843 T N -1.683 113.022 114.554 0.252 0.000 2.927 843 T HA 0.783 5.120 4.350 -0.021 0.000 0.281 843 T C -0.033 174.760 174.700 0.155 0.000 0.998 843 T CA -0.612 61.658 62.100 0.284 0.000 1.019 843 T CB 1.534 70.499 68.868 0.162 0.000 1.061 843 T HN 0.601 nan 8.240 nan 0.000 0.518 844 I N 1.309 121.994 120.570 0.192 0.000 2.498 844 I HA 0.375 4.532 4.170 -0.021 0.000 0.290 844 I C -0.444 175.674 176.117 0.001 0.000 1.032 844 I CA -0.923 60.323 61.300 -0.090 0.000 1.073 844 I CB 2.410 40.167 38.000 -0.405 0.000 1.251 844 I HN 0.640 nan 8.210 nan 0.000 0.426 845 S N 3.932 119.595 115.700 -0.062 0.000 2.566 845 S HA 0.642 5.100 4.470 -0.021 0.000 0.324 845 S C -0.002 174.558 174.600 -0.067 0.000 1.081 845 S CA -0.678 57.502 58.200 -0.033 0.000 1.105 845 S CB 1.553 64.740 63.200 -0.023 0.000 0.981 845 S HN 0.841 nan 8.310 nan 0.000 0.464 846 G N 2.291 111.063 108.800 -0.047 0.000 2.574 846 G HA2 0.594 4.542 3.960 -0.021 0.000 0.306 846 G HA3 0.594 4.542 3.960 -0.021 0.000 0.306 846 G C -0.130 174.754 174.900 -0.026 0.000 1.334 846 G CA -0.629 44.439 45.100 -0.053 0.000 0.954 846 G HN 0.617 nan 8.290 nan 0.000 0.500 847 T N -0.516 114.023 114.554 -0.025 0.000 2.841 847 T HA 0.857 5.194 4.350 -0.021 0.000 0.276 847 T C 1.196 175.889 174.700 -0.012 0.000 1.003 847 T CA 0.404 62.495 62.100 -0.015 0.000 0.995 847 T CB 1.381 70.240 68.868 -0.014 0.000 1.260 847 T HN 2.162 nan 8.240 nan 0.000 0.581 848 G N 1.577 110.372 108.800 -0.007 0.000 2.583 848 G HA2 -0.329 3.619 3.960 -0.021 0.000 0.292 848 G HA3 -0.329 3.619 3.960 -0.021 0.000 0.292 848 G C 0.388 175.287 174.900 -0.002 0.000 1.203 848 G CA 0.617 45.714 45.100 -0.005 0.000 0.987 848 G HN 1.089 nan 8.290 nan 0.000 0.554 849 N N 1.049 119.749 118.700 -0.001 0.000 2.251 849 N HA 0.357 5.084 4.740 -0.021 0.000 0.217 849 N C 1.035 176.546 175.510 0.002 0.000 1.124 849 N CA 1.089 54.141 53.050 0.003 0.000 0.843 849 N CB 0.002 38.491 38.487 0.004 0.000 1.024 849 N HN 0.957 nan 8.380 nan 0.000 0.501 850 S N -0.407 115.291 115.700 -0.003 0.000 2.579 850 S HA 0.277 4.735 4.470 -0.021 0.000 0.275 850 S C -0.156 174.444 174.600 -0.001 0.000 1.345 850 S CA -0.405 57.792 58.200 -0.006 0.000 1.031 850 S CB 1.020 64.209 63.200 -0.020 0.000 0.892 850 S HN 0.227 nan 8.310 nan 0.000 0.529 851 Q N 0.574 120.375 119.800 0.002 0.000 2.356 851 Q HA 0.686 5.013 4.340 -0.021 0.000 0.270 851 Q C -1.421 174.587 176.000 0.014 0.000 1.058 851 Q CA -0.737 55.070 55.803 0.007 0.000 0.802 851 Q CB 2.290 31.030 28.738 0.003 0.000 1.303 851 Q HN 0.573 nan 8.270 nan 0.000 0.444 852 V N 2.454 122.378 119.914 0.017 0.000 2.459 852 V HA 0.593 4.700 4.120 -0.021 0.000 0.295 852 V C -0.455 175.643 176.094 0.007 0.000 1.029 852 V CA -0.726 61.593 62.300 0.032 0.000 0.874 852 V CB 1.599 33.417 31.823 -0.008 0.000 0.985 852 V HN 0.632 nan 8.190 nan 0.000 0.438 853 R N 4.155 124.628 120.500 -0.046 0.000 2.621 853 R HA 0.743 5.071 4.340 -0.021 0.000 0.292 853 R C -1.714 174.536 176.300 -0.083 0.000 0.969 853 R CA -0.823 55.240 56.100 -0.062 0.000 0.887 853 R CB 2.155 32.394 30.300 -0.102 0.000 1.180 853 R HN 0.442 nan 8.270 nan 0.000 0.450 854 L N 1.426 122.625 121.223 -0.040 0.000 2.346 854 L HA 0.518 4.846 4.340 -0.021 0.000 0.274 854 L C 0.483 177.322 176.870 -0.051 0.000 1.007 854 L CA -0.177 54.638 54.840 -0.042 0.000 0.818 854 L CB 2.148 44.204 42.059 -0.005 0.000 1.284 854 L HN 0.809 nan 8.230 nan 0.000 0.424 855 T N -2.536 111.989 114.554 -0.049 0.000 2.768 855 T HA 0.328 4.666 4.350 -0.021 0.000 0.268 855 T C 0.857 175.546 174.700 -0.019 0.000 0.969 855 T CA -0.172 61.905 62.100 -0.039 0.000 1.008 855 T CB 0.801 69.646 68.868 -0.039 0.000 1.371 855 T HN 0.681 nan 8.240 nan 0.000 0.587 856 E N 0.448 120.648 120.200 -0.001 0.000 2.268 856 E HA -0.102 4.235 4.350 -0.021 0.000 0.195 856 E C 0.745 177.404 176.600 0.098 0.000 0.995 856 E CA 0.757 57.173 56.400 0.027 0.000 0.836 856 E CB -0.296 29.421 29.700 0.029 0.000 0.763 856 E HN 0.451 nan 8.360 nan 0.000 0.491 857 N N 0.860 119.618 118.700 0.097 0.000 2.273 857 N HA 0.114 4.841 4.740 -0.021 0.000 0.231 857 N C -0.862 174.761 175.510 0.189 0.000 1.134 857 N CA 0.039 53.180 53.050 0.151 0.000 0.856 857 N CB 1.179 39.741 38.487 0.125 0.000 1.068 857 N HN -0.024 nan 8.380 nan 0.000 0.510 858 S N 0.419 116.187 115.700 0.114 0.000 2.480 858 S HA 0.342 4.799 4.470 -0.021 0.000 0.286 858 S C -0.397 174.227 174.600 0.040 0.000 1.180 858 S CA -0.395 57.870 58.200 0.108 0.000 1.075 858 S CB 1.316 64.539 63.200 0.039 0.000 0.996 858 S HN 0.212 nan 8.310 nan 0.000 0.487 859 H N 1.099 120.257 119.070 0.146 0.000 2.609 859 H HA 0.215 4.759 4.556 -0.021 0.000 0.344 859 H C -1.416 174.001 175.328 0.149 0.000 1.040 859 H CA -0.506 55.634 56.048 0.152 0.000 1.216 859 H CB 1.401 31.207 29.762 0.072 0.000 1.529 859 H HN 0.692 nan 8.280 nan 0.000 0.519 860 W N 5.802 127.110 121.300 0.014 0.000 2.417 860 W HA 0.266 4.913 4.660 -0.021 0.000 0.315 860 W C -1.086 175.383 176.519 -0.084 0.000 1.045 860 W CA -0.827 56.505 57.345 -0.022 0.000 1.221 860 W CB 0.390 29.858 29.460 0.014 0.000 1.309 860 W HN 0.545 nan 8.180 nan 0.000 0.453 861 H N 7.253 126.358 119.070 0.057 0.000 2.623 861 H HA 0.251 4.795 4.556 -0.021 0.000 0.299 861 H C -0.452 174.847 175.328 -0.050 0.000 1.052 861 H CA -0.887 55.119 56.048 -0.071 0.000 1.231 861 H CB 1.314 31.003 29.762 -0.123 0.000 1.389 861 H HN 0.137 nan 8.280 nan 0.000 0.469 862 L N 2.778 123.867 121.223 -0.222 0.000 2.455 862 L HA -0.030 4.298 4.340 -0.021 0.000 0.272 862 L C 1.751 178.666 176.870 0.075 0.000 1.174 862 L CA 0.433 55.202 54.840 -0.118 0.000 0.869 862 L CB 0.768 42.641 42.059 -0.310 0.000 1.130 862 L HN 0.675 nan 8.230 nan 0.000 0.474 863 T N -1.402 113.241 114.554 0.149 0.000 3.069 863 T HA 0.575 4.913 4.350 -0.021 0.000 0.252 863 T C 0.550 175.298 174.700 0.081 0.000 1.053 863 T CA 0.176 62.351 62.100 0.125 0.000 0.964 863 T CB 0.034 68.994 68.868 0.153 0.000 1.005 863 T HN 0.740 nan 8.240 nan 0.000 0.532 864 G N 0.085 108.928 108.800 0.071 0.000 2.441 864 G HA2 0.445 4.393 3.960 -0.021 0.000 0.294 864 G HA3 0.445 4.393 3.960 -0.021 0.000 0.294 864 G C -2.168 172.759 174.900 0.045 0.000 1.393 864 G CA -0.956 44.175 45.100 0.052 0.000 0.796 864 G HN 0.052 nan 8.290 nan 0.000 0.494 865 D N 0.394 120.816 120.400 0.038 0.000 2.472 865 D HA 0.454 5.082 4.640 -0.021 0.000 0.237 865 D C 0.222 176.559 176.300 0.061 0.000 1.141 865 D CA 0.915 54.934 54.000 0.031 0.000 0.875 865 D CB 1.198 42.014 40.800 0.027 0.000 1.192 865 D HN 0.286 nan 8.370 nan 0.000 0.450 866 S N 0.733 116.474 115.700 0.068 0.000 2.570 866 S HA 0.581 5.038 4.470 -0.021 0.000 0.286 866 S C -0.597 174.069 174.600 0.110 0.000 1.099 866 S CA -1.119 57.169 58.200 0.146 0.000 0.913 866 S CB 1.446 64.846 63.200 0.333 0.000 1.085 866 S HN 0.564 nan 8.310 nan 0.000 0.480 867 N N -0.507 118.255 118.700 0.104 0.000 2.480 867 N HA 0.606 5.333 4.740 -0.021 0.000 0.289 867 N C -0.951 174.595 175.510 0.060 0.000 1.073 867 N CA -0.900 52.187 53.050 0.062 0.000 0.885 867 N CB 1.539 40.043 38.487 0.029 0.000 1.421 867 N HN 0.440 nan 8.380 nan 0.000 0.503 868 V N -0.111 119.844 119.914 0.067 0.000 3.001 868 V HA 0.611 4.719 4.120 -0.021 0.000 0.314 868 V C 0.335 176.446 176.094 0.028 0.000 1.099 868 V CA -0.786 61.543 62.300 0.049 0.000 0.989 868 V CB 1.820 33.694 31.823 0.086 0.000 1.040 868 V HN 0.735 nan 8.190 nan 0.000 0.434 869 N N 1.925 120.633 118.700 0.014 0.000 2.236 869 N HA 0.071 4.798 4.740 -0.021 0.000 0.195 869 N C 0.561 176.084 175.510 0.022 0.000 1.048 869 N CA 0.981 54.038 53.050 0.012 0.000 0.927 869 N CB -0.028 38.462 38.487 0.005 0.000 1.112 869 N HN 0.875 nan 8.380 nan 0.000 0.482 870 Q N -0.043 119.771 119.800 0.024 0.000 2.256 870 Q HA 0.445 4.773 4.340 -0.021 0.000 0.254 870 Q C -1.393 174.635 176.000 0.047 0.000 0.916 870 Q CA -0.565 55.259 55.803 0.035 0.000 0.932 870 Q CB 2.125 30.880 28.738 0.030 0.000 1.207 870 Q HN 0.352 nan 8.270 nan 0.000 0.426 871 L N 3.295 124.558 121.223 0.068 0.000 2.404 871 L HA 0.416 4.744 4.340 -0.021 0.000 0.272 871 L C -1.433 175.499 176.870 0.103 0.000 0.980 871 L CA -0.180 54.715 54.840 0.093 0.000 0.836 871 L CB 1.616 43.755 42.059 0.133 0.000 1.238 871 L HN 0.607 nan 8.230 nan 0.000 0.408 872 N N 5.923 124.674 118.700 0.084 0.000 2.342 872 N HA 0.501 5.229 4.740 -0.021 0.000 0.293 872 N C -1.687 173.870 175.510 0.079 0.000 1.026 872 N CA -0.451 52.655 53.050 0.092 0.000 0.857 872 N CB 1.568 40.089 38.487 0.056 0.000 1.256 872 N HN 0.649 nan 8.380 nan 0.000 0.484 873 L N 2.026 123.318 121.223 0.116 0.000 2.329 873 L HA 0.367 4.694 4.340 -0.021 0.000 0.279 873 L C -0.515 176.361 176.870 0.010 0.000 1.014 873 L CA -0.809 54.064 54.840 0.054 0.000 0.814 873 L CB 1.733 43.844 42.059 0.087 0.000 1.257 873 L HN 0.519 nan 8.230 nan 0.000 0.424 874 D N 3.812 124.189 120.400 -0.038 0.000 2.412 874 D HA 0.223 4.851 4.640 -0.021 0.000 0.276 874 D C -0.048 176.203 176.300 -0.082 0.000 1.196 874 D CA -0.435 53.534 54.000 -0.051 0.000 0.905 874 D CB 0.341 41.120 40.800 -0.035 0.000 1.081 874 D HN 0.490 nan 8.370 nan 0.000 0.502 875 K N 0.720 121.046 120.400 -0.124 0.000 3.209 875 K HA -0.126 4.181 4.320 -0.021 0.000 0.289 875 K C 0.714 177.120 176.600 -0.324 0.000 1.191 875 K CA 0.762 56.936 56.287 -0.188 0.000 0.851 875 K CB -1.578 30.861 32.500 -0.102 0.000 1.242 875 K HN 0.504 nan 8.250 nan 0.000 0.480 876 G N 0.069 108.697 108.800 -0.286 0.000 2.634 876 G HA2 0.278 4.226 3.960 -0.021 0.000 0.255 876 G HA3 0.278 4.226 3.960 -0.021 0.000 0.255 876 G C -0.477 174.069 174.900 -0.591 0.000 1.205 876 G CA -0.415 44.497 45.100 -0.313 0.000 0.884 876 G HN 0.316 nan 8.290 nan 0.000 0.549 877 H N -0.034 118.879 119.070 -0.263 0.000 2.744 877 H HA 0.320 4.864 4.556 -0.021 0.000 0.339 877 H C -0.727 174.461 175.328 -0.234 0.000 1.004 877 H CA -0.295 55.599 56.048 -0.257 0.000 1.257 877 H CB 1.848 31.368 29.762 -0.404 0.000 1.552 877 H HN 0.202 nan 8.280 nan 0.000 0.522 878 I N 3.934 124.352 120.570 -0.253 0.000 2.354 878 I HA 0.114 4.272 4.170 -0.021 0.000 0.286 878 I C -0.324 175.655 176.117 -0.230 0.000 1.007 878 I CA -0.566 60.580 61.300 -0.256 0.000 1.167 878 I CB 0.878 38.653 38.000 -0.375 0.000 1.320 878 I HN 0.488 nan 8.210 nan 0.000 0.458 879 H N 6.418 125.357 119.070 -0.217 0.000 2.640 879 H HA 0.278 4.822 4.556 -0.021 0.000 0.297 879 H C 0.749 175.949 175.328 -0.214 0.000 1.073 879 H CA -0.421 55.530 56.048 -0.161 0.000 1.305 879 H CB 1.229 30.744 29.762 -0.412 0.000 1.404 879 H HN 0.549 nan 8.280 nan 0.000 0.459 880 L N 1.627 122.790 121.223 -0.099 0.000 2.376 880 L HA -0.013 4.315 4.340 -0.021 0.000 0.219 880 L C 0.858 177.680 176.870 -0.081 0.000 1.133 880 L CA 0.741 55.464 54.840 -0.194 0.000 0.816 880 L CB -0.019 41.860 42.059 -0.301 0.000 0.933 880 L HN 0.588 nan 8.230 nan 0.000 0.449 881 N N -0.815 117.903 118.700 0.029 0.000 2.272 881 N HA 0.306 5.033 4.740 -0.021 0.000 0.305 881 N C 0.456 176.041 175.510 0.125 0.000 1.103 881 N CA 0.260 53.352 53.050 0.069 0.000 0.791 881 N CB 2.246 40.792 38.487 0.098 0.000 1.356 881 N HN -0.105 nan 8.380 nan 0.000 0.486 882 A N 1.963 124.852 122.820 0.116 0.000 2.067 882 A HA -0.041 4.267 4.320 -0.021 0.000 0.219 882 A C 0.776 178.430 177.584 0.116 0.000 1.158 882 A CA 1.021 53.155 52.037 0.162 0.000 0.661 882 A CB -0.005 19.074 19.000 0.133 0.000 0.801 882 A HN 0.615 nan 8.150 nan 0.000 0.452 883 Q N 0.390 120.236 119.800 0.078 0.000 2.260 883 Q HA 0.189 4.517 4.340 -0.021 0.000 0.242 883 Q C 0.001 176.058 176.000 0.095 0.000 0.932 883 Q CA 0.046 55.884 55.803 0.058 0.000 0.891 883 Q CB 0.599 29.353 28.738 0.026 0.000 1.222 883 Q HN 0.762 nan 8.270 nan 0.000 0.453 884 N N -0.277 118.470 118.700 0.079 0.000 2.197 884 N HA 0.023 4.751 4.740 -0.021 0.000 0.228 884 N C -0.849 174.718 175.510 0.094 0.000 1.212 884 N CA -0.153 52.959 53.050 0.102 0.000 0.883 884 N CB 1.009 39.544 38.487 0.081 0.000 1.107 884 N HN 0.291 nan 8.380 nan 0.000 0.519 885 D N 1.061 121.509 120.400 0.079 0.000 2.440 885 D HA 0.390 5.018 4.640 -0.021 0.000 0.239 885 D C 0.713 177.069 176.300 0.093 0.000 1.084 885 D CA -0.555 53.492 54.000 0.078 0.000 0.843 885 D CB 2.001 42.832 40.800 0.052 0.000 1.097 885 D HN 0.139 nan 8.370 nan 0.000 0.531 886 A N 4.319 127.211 122.820 0.120 0.000 2.076 886 A HA -0.177 4.130 4.320 -0.021 0.000 0.220 886 A C 1.598 179.259 177.584 0.128 0.000 1.160 886 A CA 1.016 53.143 52.037 0.149 0.000 0.653 886 A CB -0.146 18.950 19.000 0.159 0.000 0.801 886 A HN 0.600 nan 8.150 nan 0.000 0.455 887 N N -0.631 118.127 118.700 0.096 0.000 2.422 887 N HA 0.008 4.736 4.740 -0.021 0.000 0.181 887 N C 1.018 176.562 175.510 0.055 0.000 1.080 887 N CA 0.659 53.756 53.050 0.079 0.000 0.893 887 N CB 0.094 38.622 38.487 0.068 0.000 0.973 887 N HN 0.545 nan 8.380 nan 0.000 0.456 888 K N 0.363 120.790 120.400 0.044 0.000 2.358 888 K HA 0.160 4.467 4.320 -0.021 0.000 0.200 888 K C 0.185 176.779 176.600 -0.010 0.000 1.030 888 K CA -0.092 56.206 56.287 0.018 0.000 1.097 888 K CB 1.315 33.825 32.500 0.016 0.000 0.862 888 K HN -0.118 nan 8.250 nan 0.000 0.534 889 V N 1.191 121.092 119.914 -0.022 0.000 2.607 889 V HA 0.064 4.172 4.120 -0.021 0.000 0.289 889 V C 0.650 176.637 176.094 -0.178 0.000 1.053 889 V CA 0.309 62.535 62.300 -0.124 0.000 0.996 889 V CB 1.637 33.352 31.823 -0.179 0.000 0.995 889 V HN 0.240 nan 8.190 nan 0.000 0.476 890 T N 3.247 117.669 114.554 -0.220 0.000 3.045 890 T HA 0.144 4.482 4.350 -0.021 0.000 0.239 890 T C 0.581 175.089 174.700 -0.320 0.000 1.008 890 T CA 0.800 62.788 62.100 -0.186 0.000 1.143 890 T CB -0.007 68.802 68.868 -0.098 0.000 0.894 890 T HN 0.861 nan 8.240 nan 0.000 0.451 891 T N 0.460 114.790 114.554 -0.375 0.000 2.856 891 T HA 0.704 5.042 4.350 -0.021 0.000 0.283 891 T C -1.356 173.073 174.700 -0.451 0.000 1.008 891 T CA -0.849 61.070 62.100 -0.301 0.000 0.997 891 T CB 1.363 70.168 68.868 -0.106 0.000 0.992 891 T HN 0.153 nan 8.240 nan 0.000 0.454 892 Y N 0.993 121.310 120.300 0.029 0.000 2.487 892 Y HA 0.586 5.123 4.550 -0.021 0.000 0.337 892 Y C 0.591 176.497 175.900 0.011 0.000 1.076 892 Y CA -1.174 56.943 58.100 0.027 0.000 1.115 892 Y CB 1.628 40.111 38.460 0.039 0.000 1.235 892 Y HN 0.612 nan 8.280 nan 0.000 0.468 893 N N 0.118 118.904 118.700 0.143 0.000 2.384 893 N HA 0.485 5.212 4.740 -0.021 0.000 0.301 893 N C -1.197 174.323 175.510 0.017 0.000 1.133 893 N CA -0.587 52.493 53.050 0.050 0.000 0.853 893 N CB 1.907 40.392 38.487 -0.003 0.000 1.241 893 N HN 0.503 nan 8.380 nan 0.000 0.502 894 T N 1.088 115.638 114.554 -0.007 0.000 2.812 894 T HA 0.365 4.702 4.350 -0.021 0.000 0.282 894 T C -0.478 174.183 174.700 -0.065 0.000 0.990 894 T CA -0.478 61.599 62.100 -0.038 0.000 0.960 894 T CB 1.200 70.058 68.868 -0.017 0.000 0.948 894 T HN 0.217 nan 8.240 nan 0.000 0.438 895 L N 3.759 124.914 121.223 -0.113 0.000 2.272 895 L HA 0.604 4.932 4.340 -0.021 0.000 0.289 895 L C -0.232 176.578 176.870 -0.099 0.000 1.032 895 L CA 0.211 54.990 54.840 -0.101 0.000 0.810 895 L CB 1.046 43.013 42.059 -0.153 0.000 1.205 895 L HN 0.575 nan 8.230 nan 0.000 0.422 896 T N 4.711 119.237 114.554 -0.046 0.000 2.794 896 T HA 0.704 5.041 4.350 -0.021 0.000 0.280 896 T C -0.801 173.880 174.700 -0.032 0.000 0.987 896 T CA -0.378 61.686 62.100 -0.060 0.000 0.993 896 T CB 1.390 70.236 68.868 -0.037 0.000 0.939 896 T HN 0.382 nan 8.240 nan 0.000 0.449 897 V N 3.560 123.435 119.914 -0.065 0.000 2.638 897 V HA 0.328 4.435 4.120 -0.021 0.000 0.306 897 V C 0.964 177.034 176.094 -0.039 0.000 1.052 897 V CA -0.890 61.391 62.300 -0.032 0.000 0.885 897 V CB 2.013 33.806 31.823 -0.050 0.000 0.999 897 V HN 0.835 nan 8.190 nan 0.000 0.424 898 N N 2.090 120.784 118.700 -0.011 0.000 2.092 898 N HA -0.052 4.675 4.740 -0.021 0.000 0.189 898 N C 0.739 176.248 175.510 -0.001 0.000 1.040 898 N CA 1.428 54.473 53.050 -0.008 0.000 0.845 898 N CB 0.233 38.722 38.487 0.002 0.000 1.017 898 N HN 0.633 nan 8.380 nan 0.000 0.426 899 S N -0.277 115.432 115.700 0.015 0.000 2.707 899 S HA 0.494 4.952 4.470 -0.021 0.000 0.303 899 S C -1.697 172.933 174.600 0.051 0.000 1.132 899 S CA -0.793 57.427 58.200 0.034 0.000 1.046 899 S CB 0.332 63.555 63.200 0.038 0.000 1.004 899 S HN 0.249 nan 8.310 nan 0.000 0.483 900 L N 5.334 126.595 121.223 0.064 0.000 2.317 900 L HA 0.892 5.220 4.340 -0.021 0.000 0.281 900 L C -0.367 176.623 176.870 0.201 0.000 1.024 900 L CA 0.290 55.187 54.840 0.094 0.000 0.810 900 L CB 1.759 43.819 42.059 0.002 0.000 1.240 900 L HN 0.742 nan 8.230 nan 0.000 0.427 901 S N 2.459 118.319 115.700 0.266 0.000 2.638 901 S HA 1.017 5.474 4.470 -0.021 0.000 0.274 901 S C -0.179 174.639 174.600 0.363 0.000 1.157 901 S CA -0.143 58.243 58.200 0.310 0.000 0.826 901 S CB 1.284 64.581 63.200 0.161 0.000 1.139 901 S HN 1.892 nan 8.310 nan 0.000 0.474 902 G N 1.185 110.108 108.800 0.205 0.000 2.445 902 G HA2 0.105 4.053 3.960 -0.021 0.000 0.212 902 G HA3 0.105 4.053 3.960 -0.021 0.000 0.212 902 G C -1.003 173.790 174.900 -0.178 0.000 1.217 902 G CA -0.100 45.035 45.100 0.059 0.000 1.002 902 G HN 2.059 nan 8.290 nan 0.000 0.574 903 N N -0.484 118.118 118.700 -0.164 0.000 2.287 903 N HA 0.808 5.535 4.740 -0.021 0.000 0.289 903 N C -0.095 175.322 175.510 -0.154 0.000 1.066 903 N CA 0.541 53.382 53.050 -0.349 0.000 0.841 903 N CB 2.175 40.491 38.487 -0.284 0.000 1.599 903 N HN 2.055 nan 8.380 nan 0.000 0.476 904 G N -0.121 108.609 108.800 -0.116 0.000 2.341 904 G HA2 0.528 4.475 3.960 -0.021 0.000 0.299 904 G HA3 0.528 4.475 3.960 -0.021 0.000 0.299 904 G C -1.858 172.952 174.900 -0.149 0.000 1.274 904 G CA -0.836 44.167 45.100 -0.162 0.000 0.853 904 G HN 0.607 nan 8.290 nan 0.000 0.493 905 S N -0.649 114.829 115.700 -0.370 0.000 2.521 905 S HA 0.762 5.219 4.470 -0.021 0.000 0.295 905 S C -1.467 172.786 174.600 -0.579 0.000 1.098 905 S CA -0.359 57.611 58.200 -0.384 0.000 0.999 905 S CB 1.338 64.305 63.200 -0.388 0.000 1.034 905 S HN 0.427 nan 8.310 nan 0.000 0.483 906 F N 1.848 121.623 119.950 -0.291 0.000 2.469 906 F HA 0.535 5.050 4.527 -0.021 0.000 0.332 906 F C -0.582 174.990 175.800 -0.379 0.000 1.103 906 F CA -0.689 57.169 58.000 -0.236 0.000 0.979 906 F CB 1.104 40.083 39.000 -0.034 0.000 1.137 906 F HN 0.493 nan 8.300 nan 0.000 0.463 907 Y N 2.206 122.476 120.300 -0.050 0.000 2.341 907 Y HA 0.506 5.043 4.550 -0.021 0.000 0.338 907 Y C -0.964 174.940 175.900 0.007 0.000 0.965 907 Y CA -1.097 57.018 58.100 0.025 0.000 1.108 907 Y CB 1.220 39.627 38.460 -0.088 0.000 1.180 907 Y HN 0.459 nan 8.280 nan 0.000 0.458 908 Y N 2.916 123.318 120.300 0.170 0.000 2.429 908 Y HA 0.614 5.152 4.550 -0.021 0.000 0.342 908 Y C -0.542 175.451 175.900 0.155 0.000 1.004 908 Y CA -1.104 57.078 58.100 0.137 0.000 1.075 908 Y CB 1.624 40.126 38.460 0.070 0.000 1.214 908 Y HN 0.330 nan 8.280 nan 0.000 0.455 909 L N 3.052 124.472 121.223 0.328 0.000 2.317 909 L HA 0.714 5.041 4.340 -0.021 0.000 0.281 909 L C -0.201 176.830 176.870 0.269 0.000 1.024 909 L CA -0.616 54.413 54.840 0.314 0.000 0.810 909 L CB 1.825 44.094 42.059 0.351 0.000 1.240 909 L HN 0.744 nan 8.230 nan 0.000 0.427 910 T N -2.298 112.340 114.554 0.140 0.000 2.883 910 T HA 0.482 4.820 4.350 -0.021 0.000 0.296 910 T C -1.126 173.557 174.700 -0.027 0.000 1.117 910 T CA -0.722 61.336 62.100 -0.071 0.000 1.006 910 T CB 2.599 71.413 68.868 -0.090 0.000 1.191 910 T HN 0.447 nan 8.240 nan 0.000 0.508 911 D N 0.920 121.248 120.400 -0.120 0.000 2.429 911 D HA 0.247 4.875 4.640 -0.021 0.000 0.255 911 D C 0.680 176.967 176.300 -0.022 0.000 1.257 911 D CA -0.681 53.316 54.000 -0.004 0.000 0.890 911 D CB 0.940 41.779 40.800 0.065 0.000 1.267 911 D HN 0.381 nan 8.370 nan 0.000 0.521 912 L N 2.004 123.232 121.223 0.007 0.000 2.079 912 L HA -0.082 4.246 4.340 -0.021 0.000 0.210 912 L C 1.836 178.730 176.870 0.039 0.000 1.081 912 L CA 1.761 56.619 54.840 0.031 0.000 0.752 912 L CB -0.493 41.631 42.059 0.110 0.000 0.896 912 L HN 0.231 nan 8.230 nan 0.000 0.433 913 S N 0.064 115.795 115.700 0.051 0.000 2.402 913 S HA -0.139 4.319 4.470 -0.021 0.000 0.233 913 S C 1.424 176.041 174.600 0.030 0.000 1.030 913 S CA 1.517 59.741 58.200 0.039 0.000 1.003 913 S CB -0.381 62.845 63.200 0.043 0.000 0.813 913 S HN 0.581 nan 8.310 nan 0.000 0.477 914 N N 0.324 119.040 118.700 0.027 0.000 2.204 914 N HA 0.142 4.869 4.740 -0.021 0.000 0.219 914 N C -0.280 175.234 175.510 0.007 0.000 1.151 914 N CA 0.026 53.091 53.050 0.025 0.000 0.867 914 N CB 0.410 38.924 38.487 0.045 0.000 1.043 914 N HN 0.304 nan 8.380 nan 0.000 0.516 915 K N 1.149 121.545 120.400 -0.007 0.000 3.156 915 K HA -0.222 4.086 4.320 -0.021 0.000 0.266 915 K C -0.842 175.724 176.600 -0.056 0.000 0.966 915 K CA 0.762 57.036 56.287 -0.023 0.000 0.719 915 K CB -0.867 31.630 32.500 -0.005 0.000 1.333 915 K HN 0.366 nan 8.250 nan 0.000 0.468 916 Q N -0.817 118.909 119.800 -0.124 0.000 2.413 916 Q HA 0.765 5.093 4.340 -0.021 0.000 0.276 916 Q C -0.073 175.574 176.000 -0.587 0.000 1.099 916 Q CA -0.598 55.046 55.803 -0.265 0.000 0.814 916 Q CB 2.647 31.281 28.738 -0.173 0.000 1.379 916 Q HN 0.379 nan 8.270 nan 0.000 0.436 917 G N 0.989 109.305 108.800 -0.806 0.000 2.325 917 G HA2 0.109 4.057 3.960 -0.021 0.000 0.297 917 G HA3 0.109 4.057 3.960 -0.021 0.000 0.297 917 G C -1.654 173.111 174.900 -0.225 0.000 1.448 917 G CA -0.888 43.721 45.100 -0.817 0.000 0.838 917 G HN 0.467 nan 8.290 nan 0.000 0.579 918 D N 0.088 120.541 120.400 0.088 0.000 2.362 918 D HA 0.464 5.091 4.640 -0.021 0.000 0.238 918 D C 0.277 176.683 176.300 0.176 0.000 1.212 918 D CA 0.565 54.659 54.000 0.158 0.000 0.902 918 D CB 1.463 42.307 40.800 0.074 0.000 1.180 918 D HN 0.573 nan 8.370 nan 0.000 0.445 919 K N -0.273 120.159 120.400 0.054 0.000 2.546 919 K HA 0.445 4.753 4.320 -0.021 0.000 0.264 919 K C -1.973 174.583 176.600 -0.072 0.000 0.937 919 K CA -0.692 55.648 56.287 0.088 0.000 0.833 919 K CB 1.748 34.275 32.500 0.043 0.000 1.378 919 K HN 0.133 nan 8.250 nan 0.000 0.432 920 V N 3.133 122.977 119.914 -0.116 0.000 2.540 920 V HA 0.503 4.611 4.120 -0.021 0.000 0.302 920 V C -0.822 175.022 176.094 -0.415 0.000 1.035 920 V CA -0.823 61.262 62.300 -0.358 0.000 0.873 920 V CB 1.762 33.183 31.823 -0.670 0.000 0.992 920 V HN 0.517 nan 8.190 nan 0.000 0.428 921 V N 5.189 124.892 119.914 -0.352 0.000 2.540 921 V HA 0.556 4.663 4.120 -0.021 0.000 0.302 921 V C -0.476 175.426 176.094 -0.320 0.000 1.035 921 V CA -0.609 61.512 62.300 -0.299 0.000 0.873 921 V CB 2.137 33.865 31.823 -0.158 0.000 0.992 921 V HN 0.600 nan 8.190 nan 0.000 0.428 922 V N 3.895 123.611 119.914 -0.330 0.000 2.409 922 V HA 0.354 4.461 4.120 -0.021 0.000 0.291 922 V C 0.999 177.025 176.094 -0.113 0.000 1.020 922 V CA 0.193 62.358 62.300 -0.226 0.000 0.848 922 V CB 1.569 33.241 31.823 -0.252 0.000 0.990 922 V HN 1.041 nan 8.190 nan 0.000 0.430 923 T N 0.698 115.209 114.554 -0.071 0.000 3.040 923 T HA 0.091 4.429 4.350 -0.021 0.000 0.252 923 T C 1.336 176.027 174.700 -0.016 0.000 1.064 923 T CA 0.604 62.679 62.100 -0.040 0.000 1.110 923 T CB 0.360 69.208 68.868 -0.034 0.000 0.921 923 T HN 0.517 nan 8.240 nan 0.000 0.480 924 K N 1.180 121.576 120.400 -0.008 0.000 2.312 924 K HA 0.241 4.548 4.320 -0.021 0.000 0.206 924 K C -0.077 176.536 176.600 0.022 0.000 1.121 924 K CA 0.596 56.887 56.287 0.008 0.000 0.923 924 K CB 0.845 33.351 32.500 0.009 0.000 1.162 924 K HN 0.419 nan 8.250 nan 0.000 0.478 925 S N -0.202 115.516 115.700 0.030 0.000 2.546 925 S HA 0.749 5.206 4.470 -0.021 0.000 0.272 925 S C -1.246 173.400 174.600 0.076 0.000 1.140 925 S CA -0.968 57.264 58.200 0.054 0.000 0.920 925 S CB 2.054 65.287 63.200 0.054 0.000 1.083 925 S HN 0.258 nan 8.310 nan 0.000 0.476 926 A N 1.592 124.481 122.820 0.116 0.000 2.359 926 A HA 0.919 5.227 4.320 -0.021 0.000 0.303 926 A C -0.323 177.394 177.584 0.222 0.000 1.066 926 A CA -0.694 51.453 52.037 0.183 0.000 0.730 926 A CB 1.830 20.965 19.000 0.225 0.000 1.211 926 A HN 1.102 nan 8.150 nan 0.000 0.439 927 T N 0.617 115.344 114.554 0.289 0.000 2.932 927 T HA 0.771 5.108 4.350 -0.021 0.000 0.318 927 T C -0.100 174.782 174.700 0.303 0.000 1.265 927 T CA 0.923 63.167 62.100 0.240 0.000 1.036 927 T CB 1.297 70.249 68.868 0.140 0.000 1.209 927 T HN 2.711 nan 8.240 nan 0.000 0.484 928 G N 2.908 111.754 108.800 0.078 0.000 2.331 928 G HA2 0.064 4.012 3.960 -0.021 0.000 0.479 928 G HA3 0.064 4.012 3.960 -0.021 0.000 0.479 928 G C -1.697 172.853 174.900 -0.584 0.000 1.262 928 G CA -0.778 44.162 45.100 -0.266 0.000 1.029 928 G HN 0.904 nan 8.290 nan 0.000 0.487 929 N N -0.242 117.840 118.700 -1.029 0.000 2.448 929 N HA 0.693 5.421 4.740 -0.021 0.000 0.279 929 N C -1.434 173.500 175.510 -0.960 0.000 1.025 929 N CA -0.397 52.213 53.050 -0.733 0.000 0.898 929 N CB 1.464 39.712 38.487 -0.398 0.000 1.303 929 N HN 0.398 nan 8.380 nan 0.000 0.495 930 F N 0.222 120.102 119.950 -0.117 0.000 2.540 930 F HA 0.493 5.008 4.527 -0.021 0.000 0.317 930 F C 0.488 176.198 175.800 -0.150 0.000 1.104 930 F CA -0.991 56.956 58.000 -0.088 0.000 0.913 930 F CB 1.899 40.899 39.000 -0.001 0.000 1.170 930 F HN 0.186 nan 8.300 nan 0.000 0.450 931 T N 1.158 115.741 114.554 0.048 0.000 2.867 931 T HA 0.755 5.092 4.350 -0.021 0.000 0.282 931 T C -0.735 173.963 174.700 -0.002 0.000 1.000 931 T CA -0.798 61.272 62.100 -0.050 0.000 1.042 931 T CB 1.060 69.862 68.868 -0.111 0.000 0.973 931 T HN 0.501 nan 8.240 nan 0.000 0.465 932 L N 3.153 124.343 121.223 -0.054 0.000 2.276 932 L HA 0.385 4.713 4.340 -0.021 0.000 0.286 932 L C 0.345 177.166 176.870 -0.082 0.000 1.024 932 L CA -0.843 54.002 54.840 0.008 0.000 0.826 932 L CB 1.225 43.187 42.059 -0.163 0.000 1.211 932 L HN 0.578 nan 8.230 nan 0.000 0.422 933 Q N 3.613 123.359 119.800 -0.090 0.000 2.303 933 Q HA 0.451 4.778 4.340 -0.021 0.000 0.257 933 Q C -0.782 175.241 176.000 0.038 0.000 0.941 933 Q CA -0.410 55.313 55.803 -0.133 0.000 0.931 933 Q CB 2.942 31.528 28.738 -0.253 0.000 1.215 933 Q HN 0.374 nan 8.270 nan 0.000 0.437 934 V N 1.501 121.395 119.914 -0.034 0.000 2.540 934 V HA 0.659 4.766 4.120 -0.021 0.000 0.302 934 V C -0.556 175.603 176.094 0.107 0.000 1.035 934 V CA -0.784 61.563 62.300 0.079 0.000 0.873 934 V CB 1.783 33.641 31.823 0.058 0.000 0.992 934 V HN 0.805 nan 8.190 nan 0.000 0.428 935 A N 3.283 126.196 122.820 0.154 0.000 2.291 935 A HA 0.714 5.021 4.320 -0.021 0.000 0.311 935 A C -0.814 176.851 177.584 0.136 0.000 1.224 935 A CA -0.476 51.661 52.037 0.167 0.000 0.821 935 A CB 0.949 20.047 19.000 0.164 0.000 1.172 935 A HN 0.847 nan 8.150 nan 0.000 0.494 936 D N 1.521 121.986 120.400 0.108 0.000 2.163 936 D HA 0.307 4.935 4.640 -0.021 0.000 0.248 936 D C 1.103 177.479 176.300 0.126 0.000 1.035 936 D CA -0.439 53.588 54.000 0.045 0.000 0.872 936 D CB 1.365 42.087 40.800 -0.130 0.000 1.183 936 D HN 0.455 nan 8.370 nan 0.000 0.445 937 K N 0.847 121.322 120.400 0.124 0.000 2.160 937 K HA -0.163 4.145 4.320 -0.021 0.000 0.206 937 K C 1.205 177.877 176.600 0.120 0.000 1.047 937 K CA 2.068 58.433 56.287 0.129 0.000 0.930 937 K CB 0.154 32.735 32.500 0.134 0.000 0.720 937 K HN 0.638 nan 8.250 nan 0.000 0.450 938 T N -6.767 107.866 114.554 0.131 0.000 3.048 938 T HA 0.216 4.554 4.350 -0.021 0.000 0.254 938 T C 1.332 176.111 174.700 0.132 0.000 0.942 938 T CA 0.611 62.780 62.100 0.115 0.000 0.931 938 T CB 0.619 69.537 68.868 0.084 0.000 1.220 938 T HN 0.241 nan 8.240 nan 0.000 0.503 939 G N 2.199 111.131 108.800 0.220 0.000 2.212 939 G HA2 -0.275 3.673 3.960 -0.021 0.000 0.266 939 G HA3 -0.275 3.673 3.960 -0.021 0.000 0.266 939 G C -0.063 174.792 174.900 -0.076 0.000 0.978 939 G CA 0.657 45.875 45.100 0.197 0.000 0.632 939 G HN 1.008 nan 8.290 nan 0.000 0.537 940 E N 1.390 121.575 120.200 -0.025 0.000 2.351 940 E HA 0.611 4.949 4.350 -0.021 0.000 0.255 940 E C -2.135 174.393 176.600 -0.120 0.000 1.188 940 E CA -1.923 54.431 56.400 -0.077 0.000 0.940 940 E CB 0.268 29.952 29.700 -0.026 0.000 1.094 940 E HN 0.249 nan 8.360 nan 0.000 0.474 941 P HA 0.037 nan 4.420 nan 0.000 0.271 941 P C -0.645 176.622 177.300 -0.056 0.000 1.216 941 P CA 0.028 63.066 63.100 -0.104 0.000 0.771 941 P CB 1.037 32.689 31.700 -0.080 0.000 0.864 942 T N 1.248 115.773 114.554 -0.047 0.000 2.885 942 T HA 0.218 4.556 4.350 -0.021 0.000 0.322 942 T C 0.518 175.218 174.700 -0.000 0.000 1.387 942 T CA -0.737 61.356 62.100 -0.012 0.000 1.041 942 T CB 1.045 69.918 68.868 0.008 0.000 1.287 942 T HN 0.146 nan 8.240 nan 0.000 0.491 943 K N 1.714 122.118 120.400 0.007 0.000 2.400 943 K HA 0.166 4.473 4.320 -0.021 0.000 0.194 943 K C 0.444 177.060 176.600 0.026 0.000 1.033 943 K CA 0.008 56.303 56.287 0.014 0.000 1.021 943 K CB -0.204 32.298 32.500 0.003 0.000 0.808 943 K HN 0.445 nan 8.250 nan 0.000 0.505 944 N N 2.554 121.271 118.700 0.029 0.000 2.441 944 N HA -0.003 4.724 4.740 -0.021 0.000 0.251 944 N C -0.187 175.358 175.510 0.060 0.000 1.242 944 N CA 0.561 53.631 53.050 0.033 0.000 0.898 944 N CB 0.622 39.126 38.487 0.028 0.000 1.100 944 N HN 0.085 nan 8.380 nan 0.000 0.443 945 E N 0.966 121.193 120.200 0.045 0.000 2.234 945 E HA 0.366 4.704 4.350 -0.021 0.000 0.266 945 E C -0.932 175.691 176.600 0.039 0.000 0.877 945 E CA -0.822 55.617 56.400 0.065 0.000 0.758 945 E CB 2.394 32.109 29.700 0.026 0.000 1.170 945 E HN 0.225 nan 8.360 nan 0.000 0.415 946 L N 1.897 123.148 121.223 0.047 0.000 2.349 946 L HA 0.323 4.650 4.340 -0.021 0.000 0.278 946 L C -0.580 176.304 176.870 0.024 0.000 0.996 946 L CA -0.178 54.672 54.840 0.017 0.000 0.825 946 L CB 1.877 43.931 42.059 -0.008 0.000 1.243 946 L HN 0.352 nan 8.230 nan 0.000 0.412 947 T N 6.485 121.054 114.554 0.024 0.000 2.817 947 T HA 0.199 4.537 4.350 -0.021 0.000 0.295 947 T C 1.455 176.185 174.700 0.050 0.000 0.958 947 T CA 0.180 62.307 62.100 0.044 0.000 1.157 947 T CB 0.279 69.168 68.868 0.035 0.000 0.898 947 T HN 0.571 nan 8.240 nan 0.000 0.536 948 L N 2.147 123.408 121.223 0.063 0.000 2.357 948 L HA 0.414 4.742 4.340 -0.021 0.000 0.211 948 L C 0.356 177.349 176.870 0.205 0.000 1.075 948 L CA 0.460 55.333 54.840 0.055 0.000 0.830 948 L CB 0.268 42.156 42.059 -0.285 0.000 0.996 948 L HN 0.533 nan 8.230 nan 0.000 0.467 949 F N 0.799 120.760 119.950 0.017 0.000 2.745 949 F HA 0.317 4.831 4.527 -0.021 0.000 0.343 949 F C -1.154 174.697 175.800 0.085 0.000 1.196 949 F CA -1.021 56.967 58.000 -0.021 0.000 1.021 949 F CB 1.143 40.051 39.000 -0.153 0.000 1.297 949 F HN -0.237 nan 8.300 nan 0.000 0.486 950 D N 4.950 125.285 120.400 -0.109 0.000 2.472 950 D HA 0.466 5.094 4.640 -0.021 0.000 0.234 950 D C -0.153 176.093 176.300 -0.089 0.000 1.088 950 D CA -0.026 53.970 54.000 -0.007 0.000 0.882 950 D CB 1.683 42.463 40.800 -0.034 0.000 1.037 950 D HN 0.578 nan 8.370 nan 0.000 0.520 951 A N 2.663 125.535 122.820 0.086 0.000 2.545 951 A HA 0.139 4.446 4.320 -0.021 0.000 0.277 951 A C 1.668 179.300 177.584 0.081 0.000 1.301 951 A CA 0.149 52.233 52.037 0.078 0.000 0.935 951 A CB -0.188 18.971 19.000 0.265 0.000 1.093 951 A HN 0.449 nan 8.150 nan 0.000 0.519 952 S N -0.173 115.554 115.700 0.045 0.000 2.447 952 S HA -0.144 4.314 4.470 -0.021 0.000 0.233 952 S C 1.136 175.743 174.600 0.012 0.000 1.006 952 S CA 1.545 59.758 58.200 0.022 0.000 0.957 952 S CB -0.580 62.619 63.200 -0.001 0.000 0.773 952 S HN 0.667 nan 8.310 nan 0.000 0.507 953 N N 1.278 119.981 118.700 0.005 0.000 2.353 953 N HA 0.396 5.124 4.740 -0.021 0.000 0.185 953 N C 0.279 175.794 175.510 0.009 0.000 1.098 953 N CA 0.303 53.354 53.050 0.001 0.000 0.872 953 N CB 0.228 38.710 38.487 -0.009 0.000 0.970 953 N HN 0.526 nan 8.380 nan 0.000 0.467 954 A N 0.679 123.511 122.820 0.020 0.000 2.279 954 A HA 0.410 4.718 4.320 -0.021 0.000 0.303 954 A C 0.508 178.119 177.584 0.046 0.000 1.108 954 A CA -0.636 51.419 52.037 0.030 0.000 0.830 954 A CB 0.249 19.270 19.000 0.035 0.000 1.106 954 A HN 0.225 nan 8.150 nan 0.000 0.493 955 T N -0.757 113.825 114.554 0.046 0.000 2.930 955 T HA 0.412 4.750 4.350 -0.021 0.000 0.306 955 T C 0.093 174.840 174.700 0.080 0.000 1.045 955 T CA -0.135 61.997 62.100 0.054 0.000 1.134 955 T CB 0.292 69.188 68.868 0.046 0.000 0.961 955 T HN 0.571 nan 8.240 nan 0.000 0.545 956 R N 2.421 122.973 120.500 0.086 0.000 2.782 956 R HA 0.226 4.553 4.340 -0.021 0.000 0.293 956 R C -0.675 175.686 176.300 0.102 0.000 1.333 956 R CA -0.467 55.704 56.100 0.118 0.000 1.479 956 R CB 0.069 30.454 30.300 0.141 0.000 1.306 956 R HN 0.689 nan 8.270 nan 0.000 0.654 957 N N 1.019 119.771 118.700 0.086 0.000 2.470 957 N HA 0.066 4.793 4.740 -0.021 0.000 0.268 957 N C -0.448 175.105 175.510 0.071 0.000 1.136 957 N CA -0.306 52.785 53.050 0.067 0.000 0.961 957 N CB 0.460 38.979 38.487 0.053 0.000 1.067 957 N HN 0.218 nan 8.380 nan 0.000 0.468 958 N N 0.003 118.736 118.700 0.055 0.000 2.725 958 N HA -0.218 4.509 4.740 -0.021 0.000 0.251 958 N C -1.464 174.075 175.510 0.050 0.000 1.031 958 N CA 0.024 53.097 53.050 0.039 0.000 0.720 958 N CB -0.720 37.780 38.487 0.021 0.000 0.930 958 N HN 0.346 nan 8.380 nan 0.000 0.543 959 L N 0.880 122.155 121.223 0.086 0.000 2.272 959 L HA 0.449 4.776 4.340 -0.021 0.000 0.289 959 L C -0.575 176.339 176.870 0.073 0.000 1.032 959 L CA -0.367 54.546 54.840 0.122 0.000 0.810 959 L CB 1.184 43.367 42.059 0.206 0.000 1.205 959 L HN 0.119 nan 8.230 nan 0.000 0.422 960 N N 3.936 122.633 118.700 -0.004 0.000 2.491 960 N HA 0.554 5.282 4.740 -0.021 0.000 0.274 960 N C -1.544 173.889 175.510 -0.129 0.000 1.023 960 N CA -0.563 52.458 53.050 -0.048 0.000 0.902 960 N CB 2.084 40.526 38.487 -0.075 0.000 1.267 960 N HN 0.306 nan 8.380 nan 0.000 0.503 961 V N 1.781 121.571 119.914 -0.208 0.000 2.448 961 V HA 0.620 4.728 4.120 -0.021 0.000 0.295 961 V C -0.265 175.662 176.094 -0.279 0.000 1.025 961 V CA -0.579 61.449 62.300 -0.453 0.000 0.859 961 V CB 1.270 32.343 31.823 -1.251 0.000 0.988 961 V HN 0.768 nan 8.190 nan 0.000 0.431 962 S N 4.865 120.441 115.700 -0.208 0.000 2.548 962 S HA 0.819 5.276 4.470 -0.021 0.000 0.286 962 S C -1.078 173.457 174.600 -0.109 0.000 1.098 962 S CA -0.786 57.348 58.200 -0.111 0.000 0.930 962 S CB 2.110 65.265 63.200 -0.074 0.000 1.070 962 S HN 0.569 nan 8.310 nan 0.000 0.480 963 L N 2.517 123.710 121.223 -0.050 0.000 2.289 963 L HA 0.750 5.077 4.340 -0.021 0.000 0.285 963 L C -1.192 175.639 176.870 -0.065 0.000 1.049 963 L CA -0.267 54.552 54.840 -0.035 0.000 0.804 963 L CB 1.289 43.395 42.059 0.078 0.000 1.195 963 L HN 0.666 nan 8.230 nan 0.000 0.428 964 V N 4.912 124.725 119.914 -0.168 0.000 2.483 964 V HA 0.669 4.777 4.120 -0.021 0.000 0.297 964 V C 0.523 176.252 176.094 -0.608 0.000 1.027 964 V CA -0.441 61.691 62.300 -0.281 0.000 0.855 964 V CB 1.362 33.060 31.823 -0.208 0.000 0.995 964 V HN 0.928 nan 8.190 nan 0.000 0.424 965 G N 3.577 111.713 108.800 -1.107 0.000 2.400 965 G HA2 0.393 4.341 3.960 -0.021 0.000 0.301 965 G HA3 0.393 4.341 3.960 -0.021 0.000 0.301 965 G C 0.000 174.160 174.900 -1.233 0.000 1.154 965 G CA -0.511 43.159 45.100 -2.383 0.000 0.852 965 G HN 0.761 nan 8.290 nan 0.000 0.511 971 G N 1.335 110.186 108.800 0.085 0.000 2.368 971 G HA2 0.339 4.287 3.960 -0.021 0.000 0.233 971 G HA3 0.339 4.287 3.960 -0.021 0.000 0.233 971 G C 0.290 175.268 174.900 0.130 0.000 1.267 971 G CA 0.627 45.793 45.100 0.111 0.000 0.873 971 G HN 0.305 nan 8.290 nan 0.000 0.539 972 A N 2.360 125.246 122.820 0.111 0.000 2.249 972 A HA 0.501 4.809 4.320 -0.021 0.000 0.314 972 A C -0.872 176.803 177.584 0.151 0.000 1.290 972 A CA -0.641 51.464 52.037 0.113 0.000 0.893 972 A CB 0.458 19.487 19.000 0.049 0.000 1.165 972 A HN 0.723 nan 8.150 nan 0.000 0.530 973 W N 3.404 124.719 121.300 0.024 0.000 2.342 973 W HA 0.447 5.095 4.660 -0.021 0.000 0.310 973 W C 0.538 177.059 176.519 0.003 0.000 1.128 973 W CA -0.155 57.224 57.345 0.057 0.000 1.322 973 W CB 1.102 30.621 29.460 0.097 0.000 1.251 973 W HN 0.705 nan 8.180 nan 0.000 0.439 974 K N 4.742 124.877 120.400 -0.443 0.000 2.374 974 K HA 0.085 4.393 4.320 -0.021 0.000 0.202 974 K C -0.564 175.653 176.600 -0.638 0.000 1.040 974 K CA -0.304 55.723 56.287 -0.434 0.000 1.085 974 K CB 0.425 32.686 32.500 -0.399 0.000 0.873 974 K HN 0.282 nan 8.250 nan 0.000 0.539 975 Y N 1.950 121.672 120.300 -0.964 0.000 2.397 975 Y HA 0.091 4.628 4.550 -0.021 0.000 0.335 975 Y C 0.762 176.341 175.900 -0.536 0.000 1.213 975 Y CA 0.030 57.594 58.100 -0.894 0.000 1.391 975 Y CB 0.553 38.248 38.460 -1.274 0.000 1.293 975 Y HN -0.261 nan 8.280 nan 0.000 0.557 976 K N 2.018 122.165 120.400 -0.423 0.000 2.444 976 K HA 0.586 4.894 4.320 -0.021 0.000 0.252 976 K C -1.813 174.677 176.600 -0.183 0.000 0.993 976 K CA -1.183 54.886 56.287 -0.364 0.000 0.847 976 K CB 2.651 34.729 32.500 -0.704 0.000 1.340 976 K HN 0.473 nan 8.250 nan 0.000 0.446 977 L N 1.066 122.336 121.223 0.078 0.000 2.356 977 L HA 0.437 4.765 4.340 -0.021 0.000 0.277 977 L C -0.498 176.569 176.870 0.329 0.000 0.996 977 L CA -0.361 54.611 54.840 0.220 0.000 0.822 977 L CB 1.448 43.607 42.059 0.166 0.000 1.256 977 L HN 0.517 nan 8.230 nan 0.000 0.413 978 R N 3.398 124.102 120.500 0.340 0.000 2.294 978 R HA 0.343 4.670 4.340 -0.021 0.000 0.319 978 R C -0.691 175.611 176.300 0.002 0.000 0.984 978 R CA -0.599 55.593 56.100 0.153 0.000 0.861 978 R CB 0.773 31.045 30.300 -0.047 0.000 1.104 978 R HN 0.666 nan 8.270 nan 0.000 0.451 979 N N 4.160 122.800 118.700 -0.100 0.000 2.415 979 N HA 0.092 4.820 4.740 -0.021 0.000 0.246 979 N C -1.292 174.051 175.510 -0.279 0.000 1.078 979 N CA -0.190 52.623 53.050 -0.394 0.000 0.942 979 N CB 1.194 39.461 38.487 -0.366 0.000 1.140 979 N HN 0.304 nan 8.380 nan 0.000 0.501 980 V N 4.809 124.559 119.914 -0.273 0.000 2.240 980 V HA 0.226 4.333 4.120 -0.021 0.000 0.265 980 V C 0.150 176.149 176.094 -0.158 0.000 1.073 980 V CA -0.896 61.303 62.300 -0.169 0.000 0.857 980 V CB -0.340 31.411 31.823 -0.120 0.000 1.114 980 V HN 0.722 nan 8.190 nan 0.000 0.469 981 N N 4.118 122.733 118.700 -0.142 0.000 2.707 981 N HA -0.243 4.485 4.740 -0.021 0.000 0.253 981 N C 1.268 176.721 175.510 -0.095 0.000 0.998 981 N CA 1.280 54.272 53.050 -0.098 0.000 0.751 981 N CB -0.868 37.583 38.487 -0.059 0.000 0.920 981 N HN 1.288 nan 8.380 nan 0.000 0.539 982 G N -0.674 108.019 108.800 -0.179 0.000 2.195 982 G HA2 -0.354 3.594 3.960 -0.021 0.000 0.246 982 G HA3 -0.354 3.594 3.960 -0.021 0.000 0.246 982 G C 0.058 174.935 174.900 -0.039 0.000 0.984 982 G CA 0.409 45.459 45.100 -0.083 0.000 0.633 982 G HN 0.620 nan 8.290 nan 0.000 0.525 983 R N 0.298 120.723 120.500 -0.125 0.000 2.198 983 R HA 0.561 4.888 4.340 -0.021 0.000 0.339 983 R C -0.858 175.392 176.300 -0.084 0.000 1.020 983 R CA -0.616 55.477 56.100 -0.011 0.000 0.864 983 R CB 0.149 30.438 30.300 -0.018 0.000 1.105 983 R HN 0.231 nan 8.270 nan 0.000 0.463 984 Y N 3.013 123.372 120.300 0.098 0.000 2.367 984 Y HA 0.214 4.752 4.550 -0.021 0.000 0.342 984 Y C -0.232 175.699 175.900 0.051 0.000 0.979 984 Y CA -0.627 57.516 58.100 0.072 0.000 1.161 984 Y CB 1.309 39.806 38.460 0.061 0.000 1.155 984 Y HN 0.467 nan 8.280 nan 0.000 0.503 985 D N 3.200 123.693 120.400 0.155 0.000 2.278 985 D HA 0.252 4.880 4.640 -0.021 0.000 0.245 985 D C -0.942 175.468 176.300 0.183 0.000 1.052 985 D CA -0.642 53.431 54.000 0.121 0.000 0.834 985 D CB 2.281 43.121 40.800 0.066 0.000 1.194 985 D HN 0.344 nan 8.370 nan 0.000 0.481 986 L N 3.857 125.154 121.223 0.123 0.000 2.349 986 L HA 0.367 4.695 4.340 -0.021 0.000 0.275 986 L C -0.994 176.011 176.870 0.225 0.000 1.115 986 L CA 0.001 54.914 54.840 0.121 0.000 0.820 986 L CB -0.056 42.001 42.059 -0.003 0.000 1.135 986 L HN 0.431 nan 8.230 nan 0.000 0.445 987 Y N 2.202 122.530 120.300 0.047 0.000 2.689 987 Y HA 0.594 5.131 4.550 -0.021 0.000 0.333 987 Y C -1.126 174.774 175.900 -0.000 0.000 1.190 987 Y CA -1.354 56.761 58.100 0.026 0.000 1.063 987 Y CB 1.314 39.771 38.460 -0.004 0.000 1.294 987 Y HN 0.549 nan 8.280 nan 0.000 0.466 988 N N 2.909 121.564 118.700 -0.074 0.000 2.690 988 N HA 0.387 5.114 4.740 -0.021 0.000 0.255 988 N C -3.003 172.403 175.510 -0.174 0.000 1.195 988 N CA -1.905 50.951 53.050 -0.324 0.000 0.790 988 N CB 1.115 39.345 38.487 -0.429 0.000 1.216 988 N HN 0.652 nan 8.380 nan 0.000 0.528 989 P HA 0.000 nan 4.420 nan 0.000 0.216 989 P CA 0.000 63.133 63.100 0.056 0.000 0.800 989 P CB 0.000 31.727 31.700 0.044 0.000 0.726