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 2byt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEKYNPHAIE AKWQRFWEEK GFMKAKDLPG GRGKQYVLVM FPYPSGDLHM DATA SEQUENCE GHLKNYTMGD VLARFRRMQG YEVLHPMGWD AFGLPAENAA LKFGVHPKDW DATA SEQUENCE TYANIRQAKE SLRLMGILYD WDREVTTCEP EYYRWNQWIF LKMWEKGLAY DATA SEQUENCE RAKGLVNWCP KCQTVLANEQ VVEGRCWRHE DTPVEKRELE QWYLRITAYA DATA SEQUENCE ERLLKDLEGL NWPEKVKAMQ RAWIGRSEGA EILFPVEGKE VRIPVFTTRP DATA SEQUENCE DTLFGATFLV LAPEHPLTLE LAAPEKREEV LAYVEAAKRK TEIERQAEGR DATA SEQUENCE EKTGVFLGAY ALNPATGERI PIWTADYVLF GYGTGAIMAV PAHDQRDYEF DATA SEQUENCE ARKFGLPIKK VIERPGEPLP EPLERAYEEP GIMVNSGPFD GTESEEGKRK DATA SEQUENCE VIAWLEEKGL GKGRVTYRLR DWLISRQRYW GTPIPMVHCE ACGVVPVPEE DATA SEQUENCE ELPVLLPDLK DVEDIRPKGK SPLEAHPEFY ETTCPKCGGP AKRDTDTMDT DATA SEQUENCE FFDSSWYYLR YTDPHNDRLP FDPEKANAWM PVDQYIGGVE HAVLHLLYSR DATA SEQUENCE FFTKFLHDLG MVKVEEPFQG LFTQGMVLAW TDFGPVEVEG SVVRLPEPTR DATA SEQUENCE IRLEIPESAL SLEDVRKMGA ELRPHEDGTL HLWKPAVMSK SKGNGVMVGP DATA SEQUENCE FVKEQGADIA RITILFAAPP ENEMVWTEEG VQGAWRFLNR IYRRVAEDRE DATA SEQUENCE ALLETSGVFQ AEALEGKDRE LYGKLHETLK KVTEDLEALR FNTAIAALME DATA SEQUENCE FLNALYEYRK DRPVTPVYRT AIRYYLQMLF PFAPHLAEEL WHWFWPDSLF DATA SEQUENCE EAGWPELDEK ALEKDVVEVA VQVNGRVRGT IHIPKDAPLE VARAEALKVR DATA SEQUENCE NVRAHLEGKE VVKEIYVPGK ILNLVV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.354 176.300 0.090 0.000 1.140 1 M CA 0.000 55.338 55.300 0.063 0.000 0.988 1 M CB 0.000 32.651 32.600 0.085 0.000 1.302 2 E N 3.483 123.751 120.200 0.114 0.000 2.569 2 E HA 0.252 4.573 4.350 -0.048 0.000 0.258 2 E C -0.875 175.814 176.600 0.149 0.000 1.390 2 E CA -0.450 56.029 56.400 0.131 0.000 1.049 2 E CB 0.785 30.588 29.700 0.171 0.000 1.009 2 E HN 0.565 nan 8.360 nan 0.000 0.580 3 K N -0.804 119.620 120.400 0.040 0.000 2.509 3 K HA 0.159 4.451 4.320 -0.048 0.000 0.266 3 K C -1.615 174.682 176.600 -0.506 0.000 0.987 3 K CA -0.941 55.273 56.287 -0.121 0.000 0.868 3 K CB 1.371 33.873 32.500 0.004 0.000 1.421 3 K HN 0.485 nan 8.250 nan 0.000 0.444 4 Y N 2.828 122.621 120.300 -0.844 0.000 2.650 4 Y HA 0.117 4.639 4.550 -0.048 0.000 0.342 4 Y C -0.748 175.007 175.900 -0.242 0.000 1.110 4 Y CA -0.026 57.579 58.100 -0.826 0.000 1.438 4 Y CB 0.062 38.264 38.460 -0.430 0.000 1.181 4 Y HN 0.397 nan 8.280 nan 0.000 0.526 5 N N 8.931 127.362 118.700 -0.450 0.000 2.569 5 N HA 0.296 5.008 4.740 -0.048 0.000 0.254 5 N C -2.442 172.841 175.510 -0.378 0.000 1.004 5 N CA -2.077 50.770 53.050 -0.339 0.000 0.904 5 N CB 1.961 40.400 38.487 -0.081 0.000 1.165 5 N HN 0.325 nan 8.380 nan 0.000 0.513 6 P HA -0.086 nan 4.420 nan 0.000 0.211 6 P C 0.563 177.727 177.300 -0.227 0.000 1.179 6 P CA 1.601 64.435 63.100 -0.443 0.000 0.910 6 P CB 0.120 31.470 31.700 -0.585 0.000 0.785 7 H N -0.726 118.258 119.070 -0.144 0.000 2.496 7 H HA -0.089 4.439 4.556 -0.048 0.000 0.296 7 H C 1.797 177.077 175.328 -0.081 0.000 1.107 7 H CA 1.335 57.327 56.048 -0.093 0.000 1.263 7 H CB -1.093 28.626 29.762 -0.071 0.000 1.369 7 H HN 0.123 nan 8.280 nan 0.000 0.541 8 A N 0.745 123.594 122.820 0.047 0.000 1.897 8 A HA -0.003 4.288 4.320 -0.048 0.000 0.215 8 A C 2.214 179.788 177.584 -0.017 0.000 1.181 8 A CA 1.526 53.573 52.037 0.017 0.000 0.620 8 A CB -0.297 18.724 19.000 0.034 0.000 0.821 8 A HN 0.548 nan 8.150 nan 0.000 0.443 9 I N -4.403 116.171 120.570 0.007 0.000 3.883 9 I HA 0.206 4.347 4.170 -0.048 0.000 0.305 9 I C 1.805 177.924 176.117 0.002 0.000 1.247 9 I CA 0.396 61.696 61.300 0.001 0.000 1.350 9 I CB -0.369 37.768 38.000 0.228 0.000 1.194 9 I HN 0.130 nan 8.210 nan 0.000 0.441 10 E N 2.533 122.715 120.200 -0.029 0.000 2.002 10 E HA -0.234 4.087 4.350 -0.048 0.000 0.205 10 E C 2.347 178.852 176.600 -0.158 0.000 1.020 10 E CA 1.934 58.209 56.400 -0.207 0.000 0.856 10 E CB -0.319 29.125 29.700 -0.427 0.000 0.788 10 E HN 0.550 nan 8.360 nan 0.000 0.477 11 A N 1.447 124.188 122.820 -0.132 0.000 2.104 11 A HA -0.324 3.967 4.320 -0.048 0.000 0.223 11 A C 1.996 179.533 177.584 -0.078 0.000 1.164 11 A CA 2.095 54.091 52.037 -0.068 0.000 0.659 11 A CB -0.705 18.267 19.000 -0.048 0.000 0.808 11 A HN 0.238 nan 8.150 nan 0.000 0.465 12 K N -1.240 119.068 120.400 -0.152 0.000 1.984 12 K HA -0.190 4.102 4.320 -0.048 0.000 0.209 12 K C 1.891 178.338 176.600 -0.256 0.000 1.046 12 K CA 1.518 57.647 56.287 -0.263 0.000 0.934 12 K CB -0.426 31.798 32.500 -0.459 0.000 0.717 12 K HN 0.616 nan 8.250 nan 0.000 0.438 13 W N 1.894 123.059 121.300 -0.225 0.000 2.363 13 W HA -0.132 4.499 4.660 -0.048 0.000 0.296 13 W C 2.526 178.605 176.519 -0.734 0.000 1.212 13 W CA 0.828 57.873 57.345 -0.500 0.000 1.260 13 W CB -0.067 29.019 29.460 -0.623 0.000 1.131 13 W HN 0.297 nan 8.180 nan 0.000 0.530 14 Q N 0.392 120.113 119.800 -0.132 0.000 2.077 14 Q HA -0.244 4.068 4.340 -0.048 0.000 0.206 14 Q C 2.071 178.166 176.000 0.157 0.000 0.989 14 Q CA 1.732 57.612 55.803 0.128 0.000 0.853 14 Q CB -0.614 28.261 28.738 0.228 0.000 0.907 14 Q HN 0.404 nan 8.270 nan 0.000 0.418 15 R N -0.335 120.219 120.500 0.089 0.000 2.152 15 R HA -0.120 4.192 4.340 -0.048 0.000 0.232 15 R C 2.124 178.525 176.300 0.170 0.000 1.117 15 R CA 1.109 57.272 56.100 0.105 0.000 0.981 15 R CB -0.314 30.016 30.300 0.050 0.000 0.870 15 R HN 0.221 nan 8.270 nan 0.000 0.451 16 F N 0.467 120.413 119.950 -0.007 0.000 2.146 16 F HA -0.170 4.329 4.527 -0.048 0.000 0.298 16 F C 1.596 177.549 175.800 0.255 0.000 1.096 16 F CA 1.014 59.065 58.000 0.085 0.000 1.275 16 F CB -0.200 38.878 39.000 0.131 0.000 1.008 16 F HN 0.001 nan 8.300 nan 0.000 0.480 17 W N 0.833 122.257 121.300 0.207 0.000 2.381 17 W HA -0.098 4.533 4.660 -0.048 0.000 0.301 17 W C 2.508 179.002 176.519 -0.042 0.000 1.205 17 W CA 1.346 58.759 57.345 0.113 0.000 1.285 17 W CB -1.464 28.228 29.460 0.387 0.000 1.133 17 W HN 0.183 nan 8.180 nan 0.000 0.521 18 E N 0.910 121.271 120.200 0.268 0.000 2.077 18 E HA -0.208 4.114 4.350 -0.048 0.000 0.193 18 E C 1.804 178.423 176.600 0.032 0.000 0.989 18 E CA 1.956 58.448 56.400 0.154 0.000 0.800 18 E CB -0.217 29.582 29.700 0.165 0.000 0.746 18 E HN 0.259 nan 8.360 nan 0.000 0.452 19 E N -0.002 120.206 120.200 0.012 0.000 2.015 19 E HA -0.137 4.185 4.350 -0.048 0.000 0.191 19 E C 1.989 178.506 176.600 -0.138 0.000 0.991 19 E CA 1.062 57.449 56.400 -0.021 0.000 0.802 19 E CB -0.038 29.692 29.700 0.050 0.000 0.759 19 E HN 0.084 nan 8.360 nan 0.000 0.447 20 K N 0.023 120.227 120.400 -0.325 0.000 2.442 20 K HA -0.038 4.253 4.320 -0.048 0.000 0.198 20 K C 0.732 176.907 176.600 -0.707 0.000 1.042 20 K CA 0.748 56.670 56.287 -0.608 0.000 0.958 20 K CB -0.214 31.607 32.500 -1.132 0.000 0.766 20 K HN 0.304 nan 8.250 nan 0.000 0.474 21 G N 2.040 110.545 108.800 -0.491 0.000 2.354 21 G HA2 -0.238 3.693 3.960 -0.048 0.000 0.278 21 G HA3 -0.238 3.693 3.960 -0.048 0.000 0.278 21 G C 0.268 174.935 174.900 -0.388 0.000 0.953 21 G CA -0.032 44.881 45.100 -0.313 0.000 1.346 21 G HN 0.166 nan 8.290 nan 0.000 0.467 22 F N 0.106 119.892 119.950 -0.274 0.000 2.387 22 F HA 0.245 4.743 4.527 -0.048 0.000 0.294 22 F C 2.473 178.023 175.800 -0.416 0.000 1.093 22 F CA 0.709 58.418 58.000 -0.485 0.000 1.420 22 F CB -0.017 38.303 39.000 -1.135 0.000 1.086 22 F HN 0.328 nan 8.300 nan 0.000 0.531 23 M N 0.497 120.005 119.600 -0.154 0.000 2.530 23 M HA 0.087 4.538 4.480 -0.048 0.000 0.231 23 M C 0.245 176.482 176.300 -0.106 0.000 1.180 23 M CA 0.023 55.248 55.300 -0.124 0.000 0.985 23 M CB -1.230 31.314 32.600 -0.094 0.000 1.623 23 M HN -0.163 nan 8.290 nan 0.000 0.475 24 K N 2.105 122.452 120.400 -0.088 0.000 2.436 24 K HA 0.302 4.593 4.320 -0.048 0.000 0.282 24 K C -0.251 176.298 176.600 -0.084 0.000 1.044 24 K CA 0.127 56.369 56.287 -0.076 0.000 1.028 24 K CB 0.481 32.950 32.500 -0.051 0.000 0.919 24 K HN 0.252 nan 8.250 nan 0.000 0.474 25 A N 5.356 128.086 122.820 -0.149 0.000 2.347 25 A HA 0.158 4.450 4.320 -0.048 0.000 0.287 25 A C -0.194 177.366 177.584 -0.040 0.000 1.199 25 A CA -0.418 51.494 52.037 -0.209 0.000 0.851 25 A CB -0.028 18.674 19.000 -0.496 0.000 1.118 25 A HN 0.838 nan 8.150 nan 0.000 0.525 26 K N 2.223 122.715 120.400 0.153 0.000 2.485 26 K HA -0.029 4.263 4.320 -0.048 0.000 0.277 26 K C 0.130 176.934 176.600 0.340 0.000 0.990 26 K CA -0.147 56.279 56.287 0.232 0.000 0.994 26 K CB 0.381 33.031 32.500 0.250 0.000 0.906 26 K HN 0.756 nan 8.250 nan 0.000 0.488 27 D N 2.581 123.110 120.400 0.215 0.000 2.092 27 D HA -0.138 4.474 4.640 -0.048 0.000 0.193 27 D C 0.231 176.718 176.300 0.311 0.000 0.994 27 D CA 1.480 55.618 54.000 0.230 0.000 0.828 27 D CB 0.131 41.010 40.800 0.132 0.000 0.963 27 D HN 0.382 nan 8.370 nan 0.000 0.450 28 L N 1.327 122.647 121.223 0.162 0.000 2.388 28 L HA 0.308 4.619 4.340 -0.048 0.000 0.267 28 L C -2.441 174.370 176.870 -0.098 0.000 0.995 28 L CA -1.821 53.026 54.840 0.011 0.000 0.864 28 L CB 2.355 44.413 42.059 -0.001 0.000 1.216 28 L HN -0.277 nan 8.230 nan 0.000 0.430 29 P HA -0.043 nan 4.420 nan 0.000 0.261 29 P C 0.469 177.640 177.300 -0.215 0.000 1.173 29 P CA 0.306 63.174 63.100 -0.388 0.000 0.760 29 P CB 0.764 31.958 31.700 -0.843 0.000 0.783 30 G N 2.485 111.213 108.800 -0.120 0.000 2.608 30 G HA2 0.265 4.196 3.960 -0.048 0.000 0.212 30 G HA3 0.265 4.196 3.960 -0.048 0.000 0.212 30 G C 1.052 175.899 174.900 -0.087 0.000 1.572 30 G CA 0.196 45.248 45.100 -0.080 0.000 1.064 30 G HN 0.559 nan 8.290 nan 0.000 0.556 31 G N -1.373 107.390 108.800 -0.061 0.000 3.159 31 G HA2 0.178 4.109 3.960 -0.048 0.000 0.232 31 G HA3 0.178 4.109 3.960 -0.048 0.000 0.232 31 G C 1.467 176.335 174.900 -0.053 0.000 1.116 31 G CA -0.013 45.053 45.100 -0.057 0.000 0.767 31 G HN 0.393 nan 8.290 nan 0.000 0.547 32 R N 0.789 121.256 120.500 -0.056 0.000 2.307 32 R HA 0.333 4.644 4.340 -0.048 0.000 0.199 32 R C 1.196 177.463 176.300 -0.055 0.000 1.000 32 R CA 0.756 56.814 56.100 -0.071 0.000 1.023 32 R CB -0.432 29.823 30.300 -0.075 0.000 0.908 32 R HN 0.484 nan 8.270 nan 0.000 0.473 33 G N 0.204 108.995 108.800 -0.016 0.000 2.661 33 G HA2 -0.046 3.886 3.960 -0.048 0.000 0.685 33 G HA3 -0.046 3.886 3.960 -0.048 0.000 0.685 33 G C -1.721 173.236 174.900 0.095 0.000 1.298 33 G CA -0.445 44.694 45.100 0.065 0.000 0.855 33 G HN 0.413 nan 8.290 nan 0.000 0.560 34 K N -0.743 119.706 120.400 0.082 0.000 2.546 34 K HA 0.799 5.090 4.320 -0.048 0.000 0.264 34 K C -0.873 175.742 176.600 0.025 0.000 0.937 34 K CA -0.905 55.408 56.287 0.044 0.000 0.833 34 K CB 1.859 34.219 32.500 -0.234 0.000 1.378 34 K HN 0.612 nan 8.250 nan 0.000 0.432 35 Q N 1.403 121.260 119.800 0.096 0.000 2.377 35 Q HA 0.377 4.689 4.340 -0.048 0.000 0.271 35 Q C -1.461 174.687 176.000 0.245 0.000 1.077 35 Q CA -0.704 55.110 55.803 0.019 0.000 0.820 35 Q CB 2.030 30.662 28.738 -0.177 0.000 1.347 35 Q HN 0.766 nan 8.270 nan 0.000 0.444 36 Y N 1.477 121.820 120.300 0.072 0.000 2.681 36 Y HA 0.327 4.848 4.550 -0.048 0.000 0.347 36 Y C -1.210 174.702 175.900 0.019 0.000 1.029 36 Y CA -0.861 57.290 58.100 0.086 0.000 1.279 36 Y CB 0.592 39.142 38.460 0.151 0.000 1.096 36 Y HN 0.263 nan 8.280 nan 0.000 0.580 37 V N 6.811 126.859 119.914 0.223 0.000 2.461 37 V HA 0.380 4.471 4.120 -0.048 0.000 0.275 37 V C -0.456 175.823 176.094 0.309 0.000 1.047 37 V CA -0.489 61.914 62.300 0.172 0.000 0.955 37 V CB 1.220 33.023 31.823 -0.032 0.000 0.988 37 V HN 0.587 nan 8.190 nan 0.000 0.471 38 L N 6.516 127.916 121.223 0.296 0.000 2.470 38 L HA 0.733 5.044 4.340 -0.048 0.000 0.268 38 L C -0.558 176.396 176.870 0.139 0.000 0.964 38 L CA -0.364 54.658 54.840 0.303 0.000 0.839 38 L CB 2.216 44.553 42.059 0.464 0.000 1.276 38 L HN 0.553 nan 8.230 nan 0.000 0.403 39 V N 2.126 122.047 119.914 0.011 0.000 2.435 39 V HA 0.530 4.621 4.120 -0.048 0.000 0.290 39 V C 0.527 176.484 176.094 -0.229 0.000 1.030 39 V CA -0.882 61.284 62.300 -0.224 0.000 0.881 39 V CB 1.398 33.036 31.823 -0.309 0.000 0.983 39 V HN 0.866 nan 8.190 nan 0.000 0.445 40 M N 6.098 125.444 119.600 -0.423 0.000 2.336 40 M HA 0.162 4.613 4.480 -0.048 0.000 0.371 40 M C 0.045 176.291 176.300 -0.091 0.000 1.542 40 M CA 0.305 55.456 55.300 -0.249 0.000 0.959 40 M CB -0.312 32.068 32.600 -0.366 0.000 2.033 40 M HN 0.809 nan 8.290 nan 0.000 0.472 41 F N 4.553 124.353 119.950 -0.250 0.000 2.563 41 F HA 0.495 4.994 4.527 -0.047 0.000 0.363 41 F C -2.452 173.116 175.800 -0.387 0.000 1.123 41 F CA -3.420 54.347 58.000 -0.388 0.000 1.307 41 F CB -1.283 37.375 39.000 -0.571 0.000 1.115 41 F HN 0.339 nan 8.300 nan 0.000 0.592 42 P HA 0.148 nan 4.420 nan 0.000 0.281 42 P C -1.529 175.684 177.300 -0.145 0.000 1.249 42 P CA -0.232 62.815 63.100 -0.089 0.000 0.810 42 P CB 0.654 32.429 31.700 0.125 0.000 1.008 43 Y N 2.797 123.087 120.300 -0.018 0.000 2.539 43 Y HA 0.176 4.698 4.550 -0.046 0.000 0.352 43 Y C -1.297 174.635 175.900 0.052 0.000 1.004 43 Y CA -2.598 55.492 58.100 -0.017 0.000 1.278 43 Y CB -0.274 38.195 38.460 0.015 0.000 1.136 43 Y HN 0.238 nan 8.280 nan 0.000 0.528 44 P HA 0.011 nan 4.420 nan 0.000 0.258 44 P C -0.545 176.847 177.300 0.153 0.000 1.214 44 P CA 0.349 63.527 63.100 0.130 0.000 0.872 44 P CB 0.346 32.072 31.700 0.043 0.000 0.890 45 S N 2.314 118.115 115.700 0.169 0.000 2.769 45 S HA 0.583 5.025 4.470 -0.048 0.000 0.150 45 S C -0.164 174.611 174.600 0.291 0.000 1.034 45 S CA -0.023 58.385 58.200 0.346 0.000 1.096 45 S CB -0.058 63.353 63.200 0.353 0.000 1.567 45 S HN 0.816 nan 8.310 nan 0.000 0.435 46 G N 1.349 110.237 108.800 0.148 0.000 2.353 46 G HA2 0.264 4.196 3.960 -0.048 0.000 0.615 46 G HA3 0.264 4.196 3.960 -0.048 0.000 0.615 46 G C -2.110 172.793 174.900 0.006 0.000 1.280 46 G CA -0.554 44.618 45.100 0.121 0.000 1.000 46 G HN 0.626 nan 8.290 nan 0.000 0.516 47 D N -0.147 120.261 120.400 0.013 0.000 2.256 47 D HA 0.631 5.243 4.640 -0.048 0.000 0.246 47 D C 0.934 177.280 176.300 0.077 0.000 1.042 47 D CA -0.473 53.522 54.000 -0.008 0.000 0.841 47 D CB 1.369 42.133 40.800 -0.059 0.000 1.223 47 D HN 0.533 nan 8.370 nan 0.000 0.470 48 L N 3.400 124.705 121.223 0.136 0.000 2.467 48 L HA 0.259 4.570 4.340 -0.048 0.000 0.270 48 L C 0.594 177.567 176.870 0.172 0.000 1.205 48 L CA 0.097 55.090 54.840 0.256 0.000 0.828 48 L CB 0.244 42.400 42.059 0.161 0.000 1.101 48 L HN 0.569 nan 8.230 nan 0.000 0.479 49 H N -0.612 118.338 119.070 -0.201 0.000 2.966 49 H HA 0.352 4.881 4.556 -0.044 0.000 0.330 49 H C 0.345 175.515 175.328 -0.263 0.000 1.292 49 H CA -1.149 54.748 56.048 -0.253 0.000 1.127 49 H CB 0.746 30.321 29.762 -0.312 0.000 1.863 49 H HN 0.255 nan 8.280 nan 0.000 0.543 50 M N 0.840 120.213 119.600 -0.378 0.000 2.143 50 M HA -0.127 4.324 4.480 -0.048 0.000 0.258 50 M C 2.303 178.370 176.300 -0.389 0.000 1.071 50 M CA 1.951 56.949 55.300 -0.503 0.000 1.088 50 M CB -1.632 30.322 32.600 -1.078 0.000 1.360 50 M HN 0.995 nan 8.290 nan 0.000 0.404 51 G N -1.104 107.310 108.800 -0.642 0.000 2.442 51 G HA2 -0.227 3.705 3.960 -0.048 0.000 0.219 51 G HA3 -0.227 3.705 3.960 -0.048 0.000 0.219 51 G C 1.393 176.158 174.900 -0.225 0.000 1.141 51 G CA 1.081 45.882 45.100 -0.498 0.000 0.763 51 G HN 0.601 nan 8.290 nan 0.000 0.554 52 H N -0.820 118.018 119.070 -0.386 0.000 2.399 52 H HA 0.197 4.724 4.556 -0.050 0.000 0.300 52 H C 2.431 177.867 175.328 0.180 0.000 1.048 52 H CA -0.097 55.937 56.048 -0.024 0.000 1.370 52 H CB 0.111 29.902 29.762 0.049 0.000 1.428 52 H HN 0.068 nan 8.280 nan 0.000 0.534 53 L N 1.792 123.141 121.223 0.210 0.000 2.349 53 L HA -0.195 4.116 4.340 -0.048 0.000 0.220 53 L C 2.296 179.309 176.870 0.240 0.000 1.130 53 L CA 1.334 56.322 54.840 0.248 0.000 0.791 53 L CB -0.732 41.387 42.059 0.100 0.000 0.918 53 L HN 0.336 nan 8.230 nan 0.000 0.444 54 K N 0.728 121.223 120.400 0.157 0.000 2.000 54 K HA -0.242 4.049 4.320 -0.048 0.000 0.218 54 K C 1.727 178.380 176.600 0.089 0.000 1.053 54 K CA 2.154 58.511 56.287 0.117 0.000 0.946 54 K CB -0.034 32.524 32.500 0.097 0.000 0.723 54 K HN 0.453 nan 8.250 nan 0.000 0.446 55 N N -0.714 118.013 118.700 0.044 0.000 1.997 55 N HA -0.230 4.482 4.740 -0.048 0.000 0.198 55 N C 1.920 177.389 175.510 -0.069 0.000 1.070 55 N CA 2.102 55.095 53.050 -0.094 0.000 0.864 55 N CB -0.586 37.697 38.487 -0.339 0.000 1.066 55 N HN 0.221 nan 8.380 nan 0.000 0.425 56 Y N 1.482 121.818 120.300 0.059 0.000 2.215 56 Y HA -0.243 4.278 4.550 -0.049 0.000 0.282 56 Y C 2.811 178.739 175.900 0.045 0.000 1.207 56 Y CA 1.253 59.419 58.100 0.109 0.000 1.196 56 Y CB -1.508 37.049 38.460 0.161 0.000 0.969 56 Y HN 0.161 nan 8.280 nan 0.000 0.528 57 T N 0.449 115.091 114.554 0.146 0.000 2.643 57 T HA -0.231 4.091 4.350 -0.048 0.000 0.264 57 T C 1.978 176.572 174.700 -0.177 0.000 1.045 57 T CA 1.770 63.864 62.100 -0.011 0.000 1.155 57 T CB -0.381 68.475 68.868 -0.019 0.000 0.863 57 T HN 0.207 nan 8.240 nan 0.000 0.420 58 M N 1.114 120.588 119.600 -0.209 0.000 2.539 58 M HA -0.155 4.297 4.480 -0.048 0.000 0.265 58 M C 2.840 178.985 176.300 -0.258 0.000 1.064 58 M CA 2.283 57.369 55.300 -0.356 0.000 1.077 58 M CB -1.900 30.640 32.600 -0.100 0.000 1.246 58 M HN 0.466 nan 8.290 nan 0.000 0.470 59 G N -0.077 108.666 108.800 -0.095 0.000 2.597 59 G HA2 -0.352 3.580 3.960 -0.048 0.000 0.222 59 G HA3 -0.352 3.580 3.960 -0.048 0.000 0.222 59 G C 1.121 175.807 174.900 -0.357 0.000 1.135 59 G CA 2.104 47.162 45.100 -0.070 0.000 0.759 59 G HN 0.606 nan 8.290 nan 0.000 0.595 60 D N -0.580 119.672 120.400 -0.247 0.000 2.084 60 D HA -0.085 4.526 4.640 -0.048 0.000 0.196 60 D C 2.692 178.716 176.300 -0.459 0.000 0.985 60 D CA 1.198 54.980 54.000 -0.364 0.000 0.826 60 D CB -0.155 40.513 40.800 -0.220 0.000 0.978 60 D HN 0.144 nan 8.370 nan 0.000 0.456 61 V N 0.847 120.461 119.914 -0.500 0.000 2.220 61 V HA -0.291 3.801 4.120 -0.048 0.000 0.250 61 V C 2.673 178.514 176.094 -0.422 0.000 1.056 61 V CA 1.937 63.864 62.300 -0.621 0.000 1.016 61 V CB -0.796 30.464 31.823 -0.938 0.000 0.639 61 V HN 0.368 nan 8.190 nan 0.000 0.446 62 L N -0.364 120.695 121.223 -0.273 0.000 2.043 62 L HA -0.248 4.063 4.340 -0.048 0.000 0.212 62 L C 2.527 179.295 176.870 -0.171 0.000 1.075 62 L CA 1.965 56.748 54.840 -0.095 0.000 0.752 62 L CB -0.511 41.519 42.059 -0.048 0.000 0.891 62 L HN 0.406 nan 8.230 nan 0.000 0.432 63 A N -0.383 122.228 122.820 -0.348 0.000 1.930 63 A HA -0.214 4.077 4.320 -0.048 0.000 0.217 63 A C 2.259 179.699 177.584 -0.240 0.000 1.175 63 A CA 1.556 53.365 52.037 -0.380 0.000 0.627 63 A CB -0.437 18.102 19.000 -0.769 0.000 0.815 63 A HN 0.424 nan 8.150 nan 0.000 0.443 64 R N -1.908 118.427 120.500 -0.274 0.000 2.075 64 R HA -0.044 4.268 4.340 -0.048 0.000 0.232 64 R C 1.979 178.203 176.300 -0.127 0.000 1.126 64 R CA 1.374 57.343 56.100 -0.218 0.000 0.963 64 R CB -0.499 29.477 30.300 -0.540 0.000 0.858 64 R HN 0.562 nan 8.270 nan 0.000 0.435 65 F N 2.177 121.922 119.950 -0.342 0.000 2.025 65 F HA -0.263 4.235 4.527 -0.048 0.000 0.297 65 F C 2.186 177.824 175.800 -0.271 0.000 1.132 65 F CA 1.620 59.387 58.000 -0.388 0.000 1.191 65 F CB -0.248 38.456 39.000 -0.494 0.000 0.963 65 F HN -0.198 nan 8.300 nan 0.000 0.481 66 R N 0.463 120.692 120.500 -0.453 0.000 2.112 66 R HA -0.234 4.078 4.340 -0.048 0.000 0.242 66 R C 2.298 178.511 176.300 -0.146 0.000 1.137 66 R CA 1.862 57.745 56.100 -0.362 0.000 0.944 66 R CB -1.362 28.815 30.300 -0.205 0.000 0.857 66 R HN 0.264 nan 8.270 nan 0.000 0.435 67 R N 0.840 121.296 120.500 -0.073 0.000 2.117 67 R HA -0.031 4.280 4.340 -0.048 0.000 0.243 67 R C 2.309 178.610 176.300 0.001 0.000 1.143 67 R CA 1.662 57.771 56.100 0.015 0.000 0.968 67 R CB -0.505 29.852 30.300 0.096 0.000 0.863 67 R HN 0.256 nan 8.270 nan 0.000 0.444 68 M N -0.261 119.312 119.600 -0.044 0.000 2.175 68 M HA -0.187 4.264 4.480 -0.048 0.000 0.264 68 M C 2.196 178.442 176.300 -0.091 0.000 1.063 68 M CA 1.781 57.061 55.300 -0.033 0.000 1.119 68 M CB -0.149 32.489 32.600 0.063 0.000 1.377 68 M HN 0.284 nan 8.290 nan 0.000 0.415 69 Q N -0.994 118.651 119.800 -0.258 0.000 2.119 69 Q HA -0.089 4.222 4.340 -0.048 0.000 0.201 69 Q C 1.555 177.372 176.000 -0.306 0.000 0.972 69 Q CA 1.386 57.000 55.803 -0.315 0.000 0.847 69 Q CB 0.140 28.549 28.738 -0.548 0.000 0.903 69 Q HN 0.768 nan 8.270 nan 0.000 0.433 70 G N -1.533 107.109 108.800 -0.263 0.000 2.901 70 G HA2 -0.177 3.755 3.960 -0.048 0.000 0.194 70 G HA3 -0.177 3.755 3.960 -0.048 0.000 0.194 70 G C -0.409 174.386 174.900 -0.174 0.000 1.020 70 G CA -0.525 44.443 45.100 -0.220 0.000 0.787 70 G HN 0.171 nan 8.290 nan 0.000 0.477 71 Y N 1.614 121.843 120.300 -0.119 0.000 2.890 71 Y HA 0.346 4.867 4.550 -0.047 0.000 0.341 71 Y C 1.020 176.902 175.900 -0.030 0.000 1.269 71 Y CA 0.604 58.652 58.100 -0.086 0.000 1.517 71 Y CB 0.394 38.788 38.460 -0.110 0.000 1.314 71 Y HN 0.174 nan 8.280 nan 0.000 0.622 72 E N 1.895 122.204 120.200 0.182 0.000 2.129 72 E HA 0.319 4.640 4.350 -0.048 0.000 0.283 72 E C -1.222 175.573 176.600 0.326 0.000 1.080 72 E CA -0.167 56.353 56.400 0.200 0.000 0.867 72 E CB 0.270 30.061 29.700 0.152 0.000 1.056 72 E HN 0.373 nan 8.360 nan 0.000 0.404 73 V N 4.749 124.787 119.914 0.206 0.000 2.617 73 V HA 0.381 4.472 4.120 -0.048 0.000 0.298 73 V C -0.502 175.543 176.094 -0.082 0.000 1.048 73 V CA -0.946 61.418 62.300 0.107 0.000 0.964 73 V CB 1.399 33.222 31.823 0.000 0.000 1.004 73 V HN 0.522 nan 8.190 nan 0.000 0.466 74 L N 3.537 124.586 121.223 -0.289 0.000 2.427 74 L HA 0.481 4.792 4.340 -0.048 0.000 0.264 74 L C -0.713 175.871 176.870 -0.477 0.000 0.989 74 L CA -0.058 54.368 54.840 -0.690 0.000 0.865 74 L CB 0.982 42.113 42.059 -1.547 0.000 1.209 74 L HN 0.800 nan 8.230 nan 0.000 0.430 75 H N 6.449 125.265 119.070 -0.424 0.000 2.643 75 H HA 0.494 5.021 4.556 -0.048 0.000 0.259 75 H C -2.672 172.444 175.328 -0.354 0.000 1.298 75 H CA -2.124 53.763 56.048 -0.269 0.000 1.301 75 H CB 1.301 30.987 29.762 -0.127 0.000 1.422 75 H HN 0.543 nan 8.280 nan 0.000 0.521 76 P HA 0.238 nan 4.420 nan 0.000 0.280 76 P C -0.731 175.743 177.300 -1.377 0.000 1.272 76 P CA -0.830 61.603 63.100 -1.112 0.000 0.819 76 P CB 2.208 33.008 31.700 -1.501 0.000 1.122 77 M N 0.104 118.800 119.600 -1.506 0.000 2.373 77 M HA 0.646 5.097 4.480 -0.048 0.000 0.290 77 M C -1.337 174.451 176.300 -0.853 0.000 1.143 77 M CA -0.018 54.480 55.300 -1.337 0.000 0.949 77 M CB 1.421 32.715 32.600 -2.177 0.000 1.756 77 M HN 0.676 nan 8.290 nan 0.000 0.494 78 G N 1.747 110.135 108.800 -0.687 0.000 2.706 78 G HA2 0.744 4.675 3.960 -0.048 0.000 0.307 78 G HA3 0.744 4.675 3.960 -0.048 0.000 0.307 78 G C -2.537 171.515 174.900 -1.413 0.000 1.307 78 G CA -0.636 44.011 45.100 -0.756 0.000 0.790 78 G HN 0.705 nan 8.290 nan 0.000 0.503 79 W N -0.141 121.001 121.300 -0.263 0.000 2.739 79 W HA 0.521 5.152 4.660 -0.049 0.000 0.331 79 W C -0.892 175.114 176.519 -0.855 0.000 1.049 79 W CA -0.804 56.255 57.345 -0.476 0.000 1.234 79 W CB 1.961 31.259 29.460 -0.270 0.000 1.404 79 W HN 0.353 nan 8.180 nan 0.000 0.477 80 D N 2.184 121.956 120.400 -1.046 0.000 2.713 80 D HA 0.282 4.893 4.640 -0.048 0.000 0.229 80 D C 1.188 177.378 176.300 -0.183 0.000 1.136 80 D CA 0.191 53.599 54.000 -0.987 0.000 1.010 80 D CB 0.474 40.620 40.800 -1.089 0.000 1.084 80 D HN 0.436 nan 8.370 nan 0.000 0.495 81 A N 2.904 125.649 122.820 -0.125 0.000 1.855 81 A HA -0.087 4.205 4.320 -0.048 0.000 0.215 81 A C 1.050 178.678 177.584 0.072 0.000 1.191 81 A CA 0.607 52.664 52.037 0.033 0.000 0.613 81 A CB -0.468 18.528 19.000 -0.007 0.000 0.829 81 A HN 0.392 nan 8.150 nan 0.000 0.442 82 F N -0.762 119.088 119.950 -0.167 0.000 2.527 82 F HA 0.405 4.902 4.527 -0.049 0.000 0.316 82 F C 1.506 177.225 175.800 -0.136 0.000 1.258 82 F CA 0.692 58.454 58.000 -0.396 0.000 1.314 82 F CB -0.430 38.308 39.000 -0.436 0.000 1.200 82 F HN 0.769 nan 8.300 nan 0.000 0.577 83 G N 0.216 109.126 108.800 0.183 0.000 2.728 83 G HA2 -0.197 3.734 3.960 -0.048 0.000 0.294 83 G HA3 -0.197 3.734 3.960 -0.048 0.000 0.294 83 G C 0.395 175.382 174.900 0.145 0.000 1.342 83 G CA -0.358 44.807 45.100 0.109 0.000 0.866 83 G HN 0.681 nan 8.290 nan 0.000 0.534 84 L N 0.689 121.955 121.223 0.072 0.000 1.994 84 L HA -0.040 4.272 4.340 -0.048 0.000 0.208 84 L C 0.356 177.188 176.870 -0.063 0.000 1.071 84 L CA 2.189 57.051 54.840 0.037 0.000 0.745 84 L CB -1.642 40.446 42.059 0.049 0.000 0.892 84 L HN 0.441 nan 8.230 nan 0.000 0.431 85 P HA -0.323 nan 4.420 nan 0.000 0.219 85 P C 1.512 178.766 177.300 -0.077 0.000 1.159 85 P CA 2.503 65.381 63.100 -0.370 0.000 0.944 85 P CB -0.050 31.092 31.700 -0.930 0.000 0.792 86 A N -0.837 122.029 122.820 0.077 0.000 1.841 86 A HA -0.253 4.038 4.320 -0.048 0.000 0.214 86 A C 2.359 180.022 177.584 0.133 0.000 1.195 86 A CA 2.047 54.240 52.037 0.260 0.000 0.611 86 A CB -1.536 17.712 19.000 0.412 0.000 0.835 86 A HN 0.221 nan 8.150 nan 0.000 0.443 87 E N -0.116 120.185 120.200 0.169 0.000 2.086 87 E HA -0.294 4.027 4.350 -0.048 0.000 0.200 87 E C 1.783 178.347 176.600 -0.060 0.000 1.012 87 E CA 1.789 58.214 56.400 0.042 0.000 0.812 87 E CB -0.230 29.581 29.700 0.184 0.000 0.743 87 E HN 0.616 nan 8.360 nan 0.000 0.453 88 N N -0.310 118.367 118.700 -0.038 0.000 2.272 88 N HA -0.154 4.558 4.740 -0.048 0.000 0.185 88 N C 1.261 176.683 175.510 -0.147 0.000 1.014 88 N CA 1.261 54.269 53.050 -0.070 0.000 0.870 88 N CB -0.142 38.313 38.487 -0.054 0.000 0.975 88 N HN 0.300 nan 8.380 nan 0.000 0.433 89 A N 0.365 123.074 122.820 -0.184 0.000 1.861 89 A HA 0.273 4.564 4.320 -0.048 0.000 0.212 89 A C 2.193 179.364 177.584 -0.689 0.000 1.199 89 A CA 1.212 53.062 52.037 -0.312 0.000 0.613 89 A CB -1.002 17.944 19.000 -0.090 0.000 0.846 89 A HN 0.243 nan 8.150 nan 0.000 0.446 90 A N -0.912 121.352 122.820 -0.927 0.000 2.076 90 A HA -0.009 4.282 4.320 -0.048 0.000 0.220 90 A C 1.804 179.137 177.584 -0.417 0.000 1.160 90 A CA 1.573 53.078 52.037 -0.886 0.000 0.653 90 A CB -0.410 18.246 19.000 -0.574 0.000 0.801 90 A HN 0.378 nan 8.150 nan 0.000 0.455 91 L N -1.255 119.779 121.223 -0.315 0.000 2.446 91 L HA 0.150 4.461 4.340 -0.048 0.000 0.219 91 L C 2.038 178.767 176.870 -0.234 0.000 1.116 91 L CA 1.459 56.175 54.840 -0.206 0.000 0.844 91 L CB -0.245 41.732 42.059 -0.136 0.000 0.970 91 L HN 0.395 nan 8.230 nan 0.000 0.457 92 K N -1.328 118.871 120.400 -0.337 0.000 2.426 92 K HA 0.066 4.358 4.320 -0.048 0.000 0.193 92 K C 0.638 176.810 176.600 -0.712 0.000 1.028 92 K CA 0.534 56.532 56.287 -0.481 0.000 1.047 92 K CB 0.236 32.409 32.500 -0.544 0.000 0.821 92 K HN 0.189 nan 8.250 nan 0.000 0.513 93 F N -0.466 119.316 119.950 -0.279 0.000 2.775 93 F HA 0.280 4.793 4.527 -0.022 0.000 0.313 93 F C 0.817 176.523 175.800 -0.157 0.000 1.121 93 F CA -0.181 57.691 58.000 -0.212 0.000 1.206 93 F CB 1.488 40.332 39.000 -0.261 0.000 1.052 93 F HN 0.055 nan 8.300 nan 0.000 0.524 94 G N 1.956 110.727 108.800 -0.047 0.000 2.356 94 G HA2 -0.235 3.696 3.960 -0.048 0.000 0.296 94 G HA3 -0.235 3.696 3.960 -0.048 0.000 0.296 94 G C -0.299 174.595 174.900 -0.009 0.000 1.022 94 G CA 0.445 45.523 45.100 -0.036 0.000 0.961 94 G HN 0.223 nan 8.290 nan 0.000 0.510 95 V N -0.901 118.996 119.914 -0.028 0.000 2.815 95 V HA 0.596 4.687 4.120 -0.048 0.000 0.314 95 V C 0.407 176.495 176.094 -0.009 0.000 1.064 95 V CA -1.436 60.871 62.300 0.012 0.000 0.952 95 V CB 1.942 33.810 31.823 0.074 0.000 1.020 95 V HN 0.519 nan 8.190 nan 0.000 0.439 96 H N 6.030 125.049 119.070 -0.085 0.000 2.722 96 H HA 0.259 4.786 4.556 -0.048 0.000 0.328 96 H C -1.562 173.647 175.328 -0.198 0.000 1.067 96 H CA -1.448 54.508 56.048 -0.154 0.000 1.447 96 H CB 1.506 31.182 29.762 -0.142 0.000 1.469 96 H HN 0.341 nan 8.280 nan 0.000 0.544 97 P HA -0.270 nan 4.420 nan 0.000 0.214 97 P C 1.199 177.982 177.300 -0.862 0.000 1.163 97 P CA 1.765 64.288 63.100 -0.961 0.000 0.889 97 P CB 0.293 30.885 31.700 -1.847 0.000 0.790 98 K N -0.374 119.281 120.400 -1.241 0.000 2.218 98 K HA -0.169 4.122 4.320 -0.048 0.000 0.205 98 K C 1.593 177.977 176.600 -0.359 0.000 1.046 98 K CA 1.728 57.658 56.287 -0.595 0.000 0.933 98 K CB -0.264 32.020 32.500 -0.360 0.000 0.728 98 K HN 0.048 nan 8.250 nan 0.000 0.454 99 D N -0.493 119.777 120.400 -0.217 0.000 2.259 99 D HA -0.131 4.480 4.640 -0.048 0.000 0.216 99 D C 1.544 177.837 176.300 -0.012 0.000 0.961 99 D CA 0.477 54.435 54.000 -0.070 0.000 0.878 99 D CB -0.368 40.445 40.800 0.023 0.000 1.009 99 D HN 0.419 nan 8.370 nan 0.000 0.490 100 W N 2.423 123.619 121.300 -0.173 0.000 2.374 100 W HA -0.155 4.480 4.660 -0.042 0.000 0.288 100 W C 1.266 177.727 176.519 -0.096 0.000 1.218 100 W CA 1.200 58.464 57.345 -0.135 0.000 1.245 100 W CB -0.100 29.274 29.460 -0.144 0.000 1.126 100 W HN -0.121 nan 8.180 nan 0.000 0.545 101 T N 0.395 114.895 114.554 -0.089 0.000 2.671 101 T HA -0.196 4.125 4.350 -0.048 0.000 0.250 101 T C 1.533 176.175 174.700 -0.097 0.000 1.068 101 T CA 1.908 63.953 62.100 -0.092 0.000 1.177 101 T CB -1.202 67.774 68.868 0.181 0.000 0.876 101 T HN 0.143 nan 8.240 nan 0.000 0.405 102 Y N 1.278 121.442 120.300 -0.226 0.000 2.332 102 Y HA -0.239 4.281 4.550 -0.049 0.000 0.283 102 Y C 2.621 178.331 175.900 -0.317 0.000 1.186 102 Y CA 0.342 58.291 58.100 -0.251 0.000 1.266 102 Y CB -0.237 38.130 38.460 -0.154 0.000 0.973 102 Y HN 0.261 nan 8.280 nan 0.000 0.548 103 A N 0.233 122.948 122.820 -0.176 0.000 1.855 103 A HA -0.176 4.115 4.320 -0.048 0.000 0.213 103 A C 1.868 179.202 177.584 -0.417 0.000 1.195 103 A CA 1.601 53.475 52.037 -0.273 0.000 0.610 103 A CB -0.814 18.029 19.000 -0.262 0.000 0.837 103 A HN 0.416 nan 8.150 nan 0.000 0.444 104 N N -0.029 118.319 118.700 -0.586 0.000 2.205 104 N HA -0.105 4.606 4.740 -0.048 0.000 0.186 104 N C 1.471 176.655 175.510 -0.544 0.000 1.015 104 N CA 1.495 54.174 53.050 -0.618 0.000 0.862 104 N CB -0.344 37.680 38.487 -0.773 0.000 0.986 104 N HN 0.557 nan 8.380 nan 0.000 0.429 105 I N -0.167 120.009 120.570 -0.655 0.000 2.252 105 I HA -0.229 3.912 4.170 -0.048 0.000 0.245 105 I C 2.504 178.133 176.117 -0.814 0.000 1.102 105 I CA 0.738 61.401 61.300 -1.062 0.000 1.385 105 I CB -0.256 36.999 38.000 -1.241 0.000 1.064 105 I HN 0.191 nan 8.210 nan 0.000 0.414 106 R N 1.192 121.367 120.500 -0.542 0.000 2.080 106 R HA -0.238 4.073 4.340 -0.048 0.000 0.236 106 R C 2.314 178.425 176.300 -0.315 0.000 1.137 106 R CA 1.917 57.786 56.100 -0.384 0.000 0.943 106 R CB -0.197 29.936 30.300 -0.277 0.000 0.846 106 R HN 0.425 nan 8.270 nan 0.000 0.431 107 Q N -0.177 119.445 119.800 -0.297 0.000 2.096 107 Q HA -0.160 4.151 4.340 -0.048 0.000 0.204 107 Q C 2.179 178.072 176.000 -0.178 0.000 0.982 107 Q CA 1.739 57.413 55.803 -0.215 0.000 0.850 107 Q CB -0.215 28.392 28.738 -0.219 0.000 0.901 107 Q HN 0.452 nan 8.270 nan 0.000 0.422 108 A N 1.966 124.644 122.820 -0.237 0.000 1.834 108 A HA -0.252 4.040 4.320 -0.048 0.000 0.216 108 A C 1.966 179.541 177.584 -0.016 0.000 1.203 108 A CA 1.816 53.787 52.037 -0.110 0.000 0.621 108 A CB -0.537 18.381 19.000 -0.138 0.000 0.841 108 A HN 0.221 nan 8.150 nan 0.000 0.446 109 K N -0.398 119.948 120.400 -0.090 0.000 2.173 109 K HA -0.236 4.055 4.320 -0.048 0.000 0.207 109 K C 2.065 178.639 176.600 -0.043 0.000 1.046 109 K CA 1.656 57.925 56.287 -0.031 0.000 0.929 109 K CB -0.164 32.144 32.500 -0.321 0.000 0.720 109 K HN 0.699 nan 8.250 nan 0.000 0.453 110 E N 0.521 120.671 120.200 -0.083 0.000 2.047 110 E HA -0.151 4.170 4.350 -0.048 0.000 0.191 110 E C 1.839 178.444 176.600 0.009 0.000 0.987 110 E CA 1.281 57.650 56.400 -0.051 0.000 0.799 110 E CB 0.172 29.828 29.700 -0.073 0.000 0.752 110 E HN 0.209 nan 8.360 nan 0.000 0.449 111 S N 1.233 116.942 115.700 0.014 0.000 2.344 111 S HA -0.168 4.273 4.470 -0.048 0.000 0.217 111 S C 2.100 176.748 174.600 0.080 0.000 1.033 111 S CA 1.174 59.400 58.200 0.043 0.000 1.017 111 S CB -0.497 62.720 63.200 0.029 0.000 0.941 111 S HN 0.262 nan 8.310 nan 0.000 0.430 112 L N 1.211 122.492 121.223 0.098 0.000 2.034 112 L HA -0.245 4.067 4.340 -0.048 0.000 0.217 112 L C 2.775 179.755 176.870 0.184 0.000 1.077 112 L CA 1.867 56.802 54.840 0.159 0.000 0.769 112 L CB -0.663 41.586 42.059 0.316 0.000 0.890 112 L HN 0.298 nan 8.230 nan 0.000 0.435 113 R N 0.604 121.209 120.500 0.176 0.000 2.081 113 R HA -0.160 4.151 4.340 -0.048 0.000 0.235 113 R C 2.377 178.784 176.300 0.178 0.000 1.131 113 R CA 1.322 57.528 56.100 0.177 0.000 0.960 113 R CB -0.199 30.162 30.300 0.101 0.000 0.856 113 R HN 0.332 nan 8.270 nan 0.000 0.436 114 L N 0.084 121.387 121.223 0.133 0.000 2.083 114 L HA -0.157 4.154 4.340 -0.048 0.000 0.209 114 L C 2.227 179.207 176.870 0.183 0.000 1.083 114 L CA 0.849 55.765 54.840 0.128 0.000 0.752 114 L CB -0.259 41.857 42.059 0.095 0.000 0.899 114 L HN 0.286 nan 8.230 nan 0.000 0.433 115 M N -0.244 119.472 119.600 0.194 0.000 2.686 115 M HA 0.044 4.495 4.480 -0.048 0.000 0.246 115 M C 1.426 177.904 176.300 0.298 0.000 1.096 115 M CA 0.873 56.308 55.300 0.226 0.000 1.076 115 M CB -1.234 31.464 32.600 0.163 0.000 1.504 115 M HN 0.438 nan 8.290 nan 0.000 0.524 116 G N 1.709 110.735 108.800 0.377 0.000 2.176 116 G HA2 -0.253 3.678 3.960 -0.048 0.000 0.252 116 G HA3 -0.253 3.678 3.960 -0.048 0.000 0.252 116 G C 0.121 175.136 174.900 0.192 0.000 1.024 116 G CA -0.094 45.297 45.100 0.485 0.000 0.755 116 G HN 0.495 nan 8.290 nan 0.000 0.507 117 I N 0.190 120.833 120.570 0.122 0.000 2.342 117 I HA 0.457 4.598 4.170 -0.048 0.000 0.291 117 I C 0.549 176.598 176.117 -0.113 0.000 1.010 117 I CA -0.812 60.450 61.300 -0.065 0.000 1.308 117 I CB 1.066 39.011 38.000 -0.091 0.000 1.400 117 I HN -0.019 nan 8.210 nan 0.000 0.488 118 L N 7.242 128.341 121.223 -0.207 0.000 2.344 118 L HA 0.529 4.841 4.340 -0.048 0.000 0.272 118 L C -0.811 175.799 176.870 -0.434 0.000 1.035 118 L CA -0.172 54.590 54.840 -0.129 0.000 0.807 118 L CB 1.079 43.142 42.059 0.008 0.000 1.237 118 L HN 0.336 nan 8.230 nan 0.000 0.442 119 Y N -1.118 119.107 120.300 -0.125 0.000 2.829 119 Y HA 0.309 4.830 4.550 -0.048 0.000 0.322 119 Y C -0.825 174.787 175.900 -0.481 0.000 1.357 119 Y CA -1.587 56.181 58.100 -0.554 0.000 1.081 119 Y CB 1.081 38.792 38.460 -1.248 0.000 1.339 119 Y HN 0.477 nan 8.280 nan 0.000 0.469 120 D N -0.253 119.914 120.400 -0.388 0.000 2.514 120 D HA 0.195 4.807 4.640 -0.048 0.000 0.267 120 D C -0.430 175.702 176.300 -0.280 0.000 1.165 120 D CA -0.336 53.510 54.000 -0.257 0.000 0.958 120 D CB -0.033 40.599 40.800 -0.281 0.000 0.992 120 D HN 0.444 nan 8.370 nan 0.000 0.506 121 W N 1.310 122.600 121.300 -0.018 0.000 2.632 121 W HA -0.007 4.623 4.660 -0.049 0.000 0.248 121 W C 1.378 177.905 176.519 0.013 0.000 1.259 121 W CA -0.096 57.247 57.345 -0.003 0.000 1.288 121 W CB 0.187 29.678 29.460 0.053 0.000 1.136 121 W HN 0.351 nan 8.180 nan 0.000 0.640 122 D N -0.136 120.359 120.400 0.159 0.000 2.378 122 D HA -0.044 4.568 4.640 -0.048 0.000 0.227 122 D C 1.539 177.884 176.300 0.074 0.000 1.012 122 D CA 0.862 54.955 54.000 0.155 0.000 0.905 122 D CB 0.036 40.902 40.800 0.109 0.000 0.895 122 D HN 0.349 nan 8.370 nan 0.000 0.532 123 R N 0.346 120.830 120.500 -0.026 0.000 2.476 123 R HA 0.097 4.408 4.340 -0.048 0.000 0.276 123 R C 0.505 176.823 176.300 0.030 0.000 0.941 123 R CA -0.287 55.755 56.100 -0.097 0.000 1.088 123 R CB 0.880 31.051 30.300 -0.215 0.000 1.216 123 R HN 0.112 nan 8.270 nan 0.000 0.533 124 E N 2.153 122.410 120.200 0.096 0.000 2.568 124 E HA -0.021 4.301 4.350 -0.048 0.000 0.262 124 E C -0.618 176.110 176.600 0.214 0.000 0.961 124 E CA 0.176 56.686 56.400 0.183 0.000 0.945 124 E CB 0.700 30.643 29.700 0.406 0.000 0.924 124 E HN -0.004 nan 8.360 nan 0.000 0.467 125 V N 1.596 121.619 119.914 0.181 0.000 2.656 125 V HA 0.575 4.667 4.120 -0.048 0.000 0.307 125 V C -0.627 175.452 176.094 -0.025 0.000 1.051 125 V CA -0.640 61.714 62.300 0.090 0.000 0.893 125 V CB 2.055 33.880 31.823 0.003 0.000 0.999 125 V HN 0.631 nan 8.190 nan 0.000 0.426 126 T N 2.165 116.700 114.554 -0.032 0.000 2.842 126 T HA 0.318 4.639 4.350 -0.048 0.000 0.308 126 T C 1.384 175.943 174.700 -0.235 0.000 1.041 126 T CA 0.247 62.311 62.100 -0.060 0.000 0.964 126 T CB 0.845 69.731 68.868 0.030 0.000 0.972 126 T HN 1.126 nan 8.240 nan 0.000 0.460 127 T N -0.755 113.527 114.554 -0.453 0.000 2.653 127 T HA -0.265 4.057 4.350 -0.048 0.000 0.268 127 T C 2.328 177.045 174.700 0.028 0.000 1.035 127 T CA 1.827 63.638 62.100 -0.482 0.000 1.154 127 T CB -1.202 67.494 68.868 -0.285 0.000 0.862 127 T HN 0.883 nan 8.240 nan 0.000 0.441 128 C N 1.547 120.701 119.300 -0.244 0.000 2.485 128 C HA 0.270 4.701 4.460 -0.048 0.000 0.283 128 C C 0.944 175.857 174.990 -0.128 0.000 1.478 128 C CA -1.252 57.245 59.018 -0.868 0.000 1.741 128 C CB -1.715 25.072 27.740 -1.589 0.000 1.675 128 C HN 0.528 nan 8.230 nan 0.000 0.573 129 E N 1.827 122.121 120.200 0.156 0.000 2.301 129 E HA 0.189 4.511 4.350 -0.048 0.000 0.275 129 E C -1.583 174.999 176.600 -0.031 0.000 1.030 129 E CA -1.618 54.895 56.400 0.188 0.000 0.852 129 E CB 1.093 30.889 29.700 0.159 0.000 1.060 129 E HN 0.119 nan 8.360 nan 0.000 0.401 130 P HA -0.192 nan 4.420 nan 0.000 0.216 130 P C 0.550 177.514 177.300 -0.560 0.000 1.153 130 P CA 1.180 63.684 63.100 -0.993 0.000 0.858 130 P CB 0.262 31.741 31.700 -0.368 0.000 0.789 131 E N -2.852 117.241 120.200 -0.178 0.000 2.393 131 E HA -0.194 4.128 4.350 -0.048 0.000 0.201 131 E C 1.467 178.152 176.600 0.142 0.000 1.025 131 E CA 1.004 57.396 56.400 -0.014 0.000 0.856 131 E CB -0.548 29.218 29.700 0.110 0.000 0.771 131 E HN 0.444 nan 8.360 nan 0.000 0.526 132 Y N -1.500 118.800 120.300 -0.000 0.000 2.740 132 Y HA -0.012 4.510 4.550 -0.047 0.000 0.257 132 Y C 1.664 177.738 175.900 0.290 0.000 1.064 132 Y CA 0.222 58.474 58.100 0.253 0.000 1.351 132 Y CB -0.526 38.074 38.460 0.233 0.000 1.439 132 Y HN 0.111 nan 8.280 nan 0.000 0.488 133 Y N 1.971 122.594 120.300 0.538 0.000 2.538 133 Y HA -0.139 4.383 4.550 -0.047 0.000 0.287 133 Y C 2.155 178.128 175.900 0.120 0.000 1.157 133 Y CA 1.013 59.332 58.100 0.365 0.000 1.338 133 Y CB -0.913 37.749 38.460 0.338 0.000 0.970 133 Y HN 0.199 nan 8.280 nan 0.000 0.564 134 R N 0.127 120.522 120.500 -0.174 0.000 2.073 134 R HA -0.186 4.125 4.340 -0.048 0.000 0.234 134 R C 1.455 177.675 176.300 -0.133 0.000 1.134 134 R CA 1.873 57.811 56.100 -0.271 0.000 0.952 134 R CB -1.387 28.533 30.300 -0.633 0.000 0.850 134 R HN 0.518 nan 8.270 nan 0.000 0.433 135 W N 1.429 122.770 121.300 0.068 0.000 2.465 135 W HA 0.081 4.712 4.660 -0.048 0.000 0.268 135 W C 1.869 178.482 176.519 0.156 0.000 1.242 135 W CA 0.596 57.965 57.345 0.039 0.000 1.248 135 W CB -0.300 29.101 29.460 -0.099 0.000 1.118 135 W HN 0.266 nan 8.180 nan 0.000 0.587 136 N N 0.298 119.272 118.700 0.458 0.000 2.223 136 N HA -0.210 4.501 4.740 -0.048 0.000 0.185 136 N C 1.670 177.341 175.510 0.269 0.000 1.016 136 N CA 1.266 54.627 53.050 0.518 0.000 0.863 136 N CB -0.160 38.543 38.487 0.360 0.000 0.983 136 N HN 0.421 nan 8.380 nan 0.000 0.429 137 Q N -0.340 119.567 119.800 0.179 0.000 2.033 137 Q HA -0.149 4.162 4.340 -0.048 0.000 0.196 137 Q C 1.742 177.908 176.000 0.276 0.000 0.970 137 Q CA 1.025 56.884 55.803 0.093 0.000 0.828 137 Q CB -0.300 28.444 28.738 0.010 0.000 0.895 137 Q HN 0.477 nan 8.270 nan 0.000 0.440 138 W N 1.849 123.214 121.300 0.110 0.000 2.305 138 W HA -0.272 4.359 4.660 -0.048 0.000 0.308 138 W C 1.679 178.296 176.519 0.162 0.000 1.226 138 W CA 1.623 59.058 57.345 0.150 0.000 1.253 138 W CB -0.142 29.488 29.460 0.284 0.000 1.146 138 W HN 0.042 nan 8.180 nan 0.000 0.507 139 I N -0.622 120.353 120.570 0.676 0.000 2.163 139 I HA -0.301 3.841 4.170 -0.048 0.000 0.240 139 I C 2.380 178.646 176.117 0.248 0.000 1.081 139 I CA 1.593 63.180 61.300 0.478 0.000 1.353 139 I CB -0.911 37.351 38.000 0.436 0.000 1.054 139 I HN -0.011 nan 8.210 nan 0.000 0.407 140 F N 1.544 121.613 119.950 0.198 0.000 2.147 140 F HA -0.282 4.217 4.527 -0.047 0.000 0.301 140 F C 2.142 177.930 175.800 -0.021 0.000 1.084 140 F CA 1.674 59.699 58.000 0.042 0.000 1.268 140 F CB -0.132 38.774 39.000 -0.157 0.000 1.009 140 F HN -0.070 nan 8.300 nan 0.000 0.486 141 L N -0.158 121.116 121.223 0.086 0.000 1.988 141 L HA -0.214 4.097 4.340 -0.048 0.000 0.207 141 L C 2.560 179.395 176.870 -0.059 0.000 1.071 141 L CA 1.222 56.060 54.840 -0.002 0.000 0.744 141 L CB -0.853 41.157 42.059 -0.081 0.000 0.893 141 L HN -0.085 nan 8.230 nan 0.000 0.433 142 K N 0.107 120.385 120.400 -0.204 0.000 2.228 142 K HA -0.181 4.111 4.320 -0.048 0.000 0.205 142 K C 1.907 178.549 176.600 0.070 0.000 1.045 142 K CA 1.580 57.786 56.287 -0.135 0.000 0.931 142 K CB -0.323 32.024 32.500 -0.256 0.000 0.727 142 K HN 0.440 nan 8.250 nan 0.000 0.458 143 M N -1.370 118.181 119.600 -0.082 0.000 2.388 143 M HA -0.078 4.373 4.480 -0.048 0.000 0.265 143 M C 2.036 178.265 176.300 -0.117 0.000 1.088 143 M CA 0.760 55.905 55.300 -0.258 0.000 1.134 143 M CB -0.250 32.005 32.600 -0.576 0.000 1.384 143 M HN 0.279 nan 8.290 nan 0.000 0.447 144 W N 2.600 123.728 121.300 -0.288 0.000 2.380 144 W HA -0.151 4.480 4.660 -0.048 0.000 0.317 144 W C 1.415 177.904 176.519 -0.050 0.000 1.196 144 W CA 1.649 58.894 57.345 -0.167 0.000 1.307 144 W CB -0.344 29.023 29.460 -0.156 0.000 1.157 144 W HN 0.225 nan 8.180 nan 0.000 0.483 145 E N 0.520 120.695 120.200 -0.041 0.000 2.171 145 E HA -0.284 4.037 4.350 -0.048 0.000 0.197 145 E C 1.845 178.348 176.600 -0.162 0.000 0.997 145 E CA 1.413 57.727 56.400 -0.143 0.000 0.810 145 E CB -0.356 29.343 29.700 -0.001 0.000 0.738 145 E HN 0.114 nan 8.360 nan 0.000 0.467 146 K N -0.139 120.216 120.400 -0.074 0.000 2.458 146 K HA 0.026 4.317 4.320 -0.048 0.000 0.194 146 K C 0.735 177.298 176.600 -0.061 0.000 1.024 146 K CA 0.599 56.873 56.287 -0.022 0.000 1.108 146 K CB 0.136 32.712 32.500 0.126 0.000 0.846 146 K HN 0.198 nan 8.250 nan 0.000 0.518 147 G N 1.013 109.710 108.800 -0.171 0.000 2.203 147 G HA2 -0.267 3.664 3.960 -0.048 0.000 0.263 147 G HA3 -0.267 3.664 3.960 -0.048 0.000 0.263 147 G C 0.448 175.339 174.900 -0.015 0.000 1.012 147 G CA 0.617 45.614 45.100 -0.171 0.000 0.749 147 G HN 0.377 nan 8.290 nan 0.000 0.512 148 L N -0.673 120.570 121.223 0.032 0.000 2.529 148 L HA 0.498 4.810 4.340 -0.048 0.000 0.223 148 L C 1.690 178.661 176.870 0.169 0.000 1.113 148 L CA 0.723 55.637 54.840 0.122 0.000 0.861 148 L CB 0.088 42.212 42.059 0.109 0.000 1.012 148 L HN 0.493 nan 8.230 nan 0.000 0.461 149 A N -0.405 122.500 122.820 0.142 0.000 2.337 149 A HA 0.701 4.993 4.320 -0.048 0.000 0.331 149 A C -1.113 176.818 177.584 0.579 0.000 1.137 149 A CA -0.288 51.882 52.037 0.222 0.000 0.807 149 A CB 0.984 19.896 19.000 -0.147 0.000 1.250 149 A HN 0.237 nan 8.150 nan 0.000 0.468 150 Y N -1.263 119.395 120.300 0.596 0.000 2.851 150 Y HA 0.695 5.217 4.550 -0.047 0.000 0.359 150 Y C -1.118 174.774 175.900 -0.015 0.000 1.231 150 Y CA -1.278 57.017 58.100 0.326 0.000 1.106 150 Y CB 0.535 39.066 38.460 0.120 0.000 1.409 150 Y HN 0.693 nan 8.280 nan 0.000 0.454 151 R N 1.399 121.871 120.500 -0.047 0.000 2.778 151 R HA 0.978 5.290 4.340 -0.048 0.000 0.277 151 R C -1.396 174.993 176.300 0.148 0.000 0.977 151 R CA -0.851 55.102 56.100 -0.245 0.000 0.950 151 R CB 2.147 32.073 30.300 -0.623 0.000 1.165 151 R HN 1.158 nan 8.270 nan 0.000 0.474 152 A N 1.636 124.538 122.820 0.137 0.000 2.581 152 A HA 0.308 4.600 4.320 -0.048 0.000 0.294 152 A C -1.119 176.549 177.584 0.139 0.000 1.035 152 A CA -0.893 51.217 52.037 0.121 0.000 0.684 152 A CB 1.081 20.158 19.000 0.128 0.000 1.282 152 A HN 0.637 nan 8.150 nan 0.000 0.417 153 K N 0.225 120.679 120.400 0.089 0.000 2.948 153 K HA 0.671 4.963 4.320 -0.048 0.000 0.323 153 K C 0.705 177.392 176.600 0.145 0.000 1.015 153 K CA 0.438 56.789 56.287 0.108 0.000 1.117 153 K CB 0.092 32.632 32.500 0.066 0.000 1.264 153 K HN 2.272 nan 8.250 nan 0.000 0.486 154 G N -0.221 108.664 108.800 0.142 0.000 2.619 154 G HA2 -0.151 3.780 3.960 -0.048 0.000 0.686 154 G HA3 -0.151 3.780 3.960 -0.048 0.000 0.686 154 G C -0.930 174.085 174.900 0.193 0.000 1.256 154 G CA -1.031 44.178 45.100 0.181 0.000 0.826 154 G HN 0.320 nan 8.290 nan 0.000 0.619 155 L N 0.603 121.945 121.223 0.199 0.000 2.410 155 L HA 0.443 4.754 4.340 -0.048 0.000 0.273 155 L C 1.270 178.272 176.870 0.220 0.000 1.144 155 L CA -0.541 54.411 54.840 0.188 0.000 0.863 155 L CB 0.550 42.712 42.059 0.171 0.000 1.140 155 L HN 0.811 nan 8.230 nan 0.000 0.463 156 V N 0.553 120.603 119.914 0.227 0.000 2.881 156 V HA 0.494 4.586 4.120 -0.048 0.000 0.316 156 V C -0.205 176.041 176.094 0.252 0.000 1.070 156 V CA -1.168 61.281 62.300 0.247 0.000 0.976 156 V CB 1.900 33.874 31.823 0.252 0.000 1.038 156 V HN 0.658 nan 8.190 nan 0.000 0.446 157 N N 2.634 121.477 118.700 0.238 0.000 2.488 157 N HA 0.295 5.007 4.740 -0.048 0.000 0.274 157 N C -1.022 174.653 175.510 0.274 0.000 1.111 157 N CA -0.280 52.912 53.050 0.238 0.000 0.974 157 N CB 0.817 39.424 38.487 0.200 0.000 1.089 157 N HN 0.895 nan 8.380 nan 0.000 0.465 158 W N 4.170 125.539 121.300 0.115 0.000 2.587 158 W HA 0.465 5.096 4.660 -0.049 0.000 0.324 158 W C -1.058 175.524 176.519 0.105 0.000 1.040 158 W CA -1.044 56.363 57.345 0.104 0.000 1.222 158 W CB 1.403 30.912 29.460 0.081 0.000 1.381 158 W HN 0.352 nan 8.180 nan 0.000 0.483 159 C N 10.493 129.528 119.300 -0.442 0.000 2.223 159 C HA 0.298 4.729 4.460 -0.048 0.000 0.324 159 C C -0.253 174.579 174.990 -0.263 0.000 1.196 159 C CA -2.231 56.662 59.018 -0.207 0.000 1.628 159 C CB 0.186 27.852 27.740 -0.123 0.000 2.229 159 C HN 0.541 nan 8.230 nan 0.000 0.486 160 P HA -0.175 nan 4.420 nan 0.000 0.216 160 P C 1.339 178.659 177.300 0.032 0.000 1.150 160 P CA 1.645 64.875 63.100 0.217 0.000 0.837 160 P CB 0.210 32.024 31.700 0.190 0.000 0.786 161 K N -0.602 119.722 120.400 -0.127 0.000 2.007 161 K HA -0.053 4.239 4.320 -0.048 0.000 0.206 161 K C 2.194 178.657 176.600 -0.228 0.000 1.047 161 K CA 1.486 57.616 56.287 -0.262 0.000 0.937 161 K CB -0.550 31.578 32.500 -0.622 0.000 0.718 161 K HN 0.129 nan 8.250 nan 0.000 0.438 162 C N 1.077 120.242 119.300 -0.226 0.000 2.456 162 C HA 0.038 4.469 4.460 -0.048 0.000 0.279 162 C C 0.424 175.322 174.990 -0.153 0.000 1.427 162 C CA -0.038 58.917 59.018 -0.105 0.000 1.778 162 C CB -0.625 27.111 27.740 -0.007 0.000 1.842 162 C HN 0.509 nan 8.230 nan 0.000 0.531 163 Q N 0.594 120.269 119.800 -0.208 0.000 2.451 163 Q HA -0.193 4.118 4.340 -0.048 0.000 0.305 163 Q C 0.026 175.734 176.000 -0.487 0.000 1.345 163 Q CA 1.670 57.407 55.803 -0.111 0.000 0.854 163 Q CB -1.616 27.200 28.738 0.129 0.000 1.162 163 Q HN 0.750 nan 8.270 nan 0.000 0.440 164 T N -2.535 111.299 114.554 -1.199 0.000 2.733 164 T HA 0.522 4.843 4.350 -0.048 0.000 0.312 164 T C -0.938 173.187 174.700 -0.957 0.000 1.590 164 T CA -0.122 61.365 62.100 -1.021 0.000 1.005 164 T CB 1.461 70.140 68.868 -0.316 0.000 1.528 164 T HN 0.333 nan 8.240 nan 0.000 0.496 165 V N 1.600 121.277 119.914 -0.394 0.000 2.785 165 V HA 0.827 4.918 4.120 -0.048 0.000 0.300 165 V C -0.460 175.627 176.094 -0.013 0.000 1.062 165 V CA -0.477 61.771 62.300 -0.087 0.000 1.029 165 V CB 0.693 32.584 31.823 0.115 0.000 1.024 165 V HN 0.808 nan 8.190 nan 0.000 0.477 166 L N 2.588 123.851 121.223 0.067 0.000 2.333 166 L HA 0.847 5.158 4.340 -0.048 0.000 0.263 166 L C 0.493 177.460 176.870 0.163 0.000 1.014 166 L CA -0.839 54.076 54.840 0.125 0.000 0.820 166 L CB 1.998 44.152 42.059 0.157 0.000 1.352 166 L HN 0.964 nan 8.230 nan 0.000 0.421 167 A N 0.845 123.787 122.820 0.204 0.000 2.332 167 A HA 0.238 4.530 4.320 -0.048 0.000 0.258 167 A C 0.610 178.345 177.584 0.251 0.000 1.087 167 A CA -0.260 51.945 52.037 0.280 0.000 0.802 167 A CB 0.055 19.315 19.000 0.434 0.000 1.042 167 A HN 0.901 nan 8.150 nan 0.000 0.489 168 N N 0.640 119.518 118.700 0.296 0.000 2.272 168 N HA -0.143 4.568 4.740 -0.048 0.000 0.185 168 N C 0.846 176.577 175.510 0.369 0.000 1.014 168 N CA 1.774 55.013 53.050 0.315 0.000 0.870 168 N CB -0.185 38.491 38.487 0.315 0.000 0.975 168 N HN 0.758 nan 8.380 nan 0.000 0.433 169 E N 0.434 120.804 120.200 0.282 0.000 2.338 169 E HA -0.080 4.242 4.350 -0.048 0.000 0.197 169 E C 0.836 177.369 176.600 -0.111 0.000 1.007 169 E CA 0.666 57.031 56.400 -0.059 0.000 0.849 169 E CB -0.041 29.453 29.700 -0.344 0.000 0.774 169 E HN 0.493 nan 8.360 nan 0.000 0.506 170 Q N -0.129 119.662 119.800 -0.015 0.000 2.222 170 Q HA 0.160 4.472 4.340 -0.048 0.000 0.206 170 Q C -0.787 175.295 176.000 0.137 0.000 0.877 170 Q CA -0.090 55.643 55.803 -0.116 0.000 0.958 170 Q CB 1.011 29.567 28.738 -0.303 0.000 1.075 170 Q HN -0.006 nan 8.270 nan 0.000 0.483 171 V N 1.519 121.538 119.914 0.175 0.000 2.250 171 V HA 0.220 4.312 4.120 -0.048 0.000 0.268 171 V C -0.327 175.888 176.094 0.203 0.000 1.043 171 V CA -0.592 61.836 62.300 0.214 0.000 0.814 171 V CB 1.201 33.151 31.823 0.212 0.000 1.072 171 V HN -0.075 nan 8.190 nan 0.000 0.451 172 V N 3.855 123.890 119.914 0.201 0.000 2.432 172 V HA 0.349 4.440 4.120 -0.048 0.000 0.275 172 V C 1.029 177.211 176.094 0.146 0.000 1.043 172 V CA -0.229 62.170 62.300 0.164 0.000 0.925 172 V CB 0.673 32.593 31.823 0.161 0.000 0.985 172 V HN 1.013 nan 8.190 nan 0.000 0.466 173 E N 3.185 123.462 120.200 0.129 0.000 3.370 173 E HA -0.292 4.030 4.350 -0.048 0.000 0.291 173 E C 1.181 177.850 176.600 0.114 0.000 0.916 173 E CA 0.688 57.153 56.400 0.109 0.000 0.981 173 E CB -1.369 28.387 29.700 0.095 0.000 1.498 173 E HN 1.520 nan 8.360 nan 0.000 0.452 174 G N 0.028 108.908 108.800 0.133 0.000 2.132 174 G HA2 -0.329 3.603 3.960 -0.048 0.000 0.234 174 G HA3 -0.329 3.603 3.960 -0.048 0.000 0.234 174 G C 0.143 175.125 174.900 0.137 0.000 0.989 174 G CA 0.522 45.701 45.100 0.131 0.000 0.676 174 G HN 0.246 nan 8.290 nan 0.000 0.522 175 R N -1.491 119.099 120.500 0.151 0.000 2.950 175 R HA 0.678 4.990 4.340 -0.048 0.000 0.253 175 R C 0.341 176.765 176.300 0.208 0.000 1.168 175 R CA -0.245 55.950 56.100 0.160 0.000 1.014 175 R CB 0.925 31.307 30.300 0.136 0.000 1.228 175 R HN 0.348 nan 8.270 nan 0.000 0.487 176 C N 2.126 121.564 119.300 0.230 0.000 2.689 176 C HA 0.134 4.565 4.460 -0.048 0.000 0.409 176 C C 1.765 176.943 174.990 0.314 0.000 1.293 176 C CA -0.553 58.656 59.018 0.318 0.000 2.136 176 C CB -0.129 27.831 27.740 0.367 0.000 2.719 176 C HN 1.001 nan 8.230 nan 0.000 0.644 177 W N 4.442 125.795 121.300 0.088 0.000 2.678 177 W HA 0.121 4.759 4.660 -0.037 0.000 0.256 177 W C 1.520 178.034 176.519 -0.008 0.000 1.280 177 W CA 0.523 57.907 57.345 0.065 0.000 1.345 177 W CB -0.959 28.575 29.460 0.123 0.000 1.118 177 W HN 0.659 nan 8.180 nan 0.000 0.629 178 R N 0.128 120.286 120.500 -0.571 0.000 2.250 178 R HA 0.055 4.366 4.340 -0.048 0.000 0.194 178 R C -0.262 175.665 176.300 -0.622 0.000 0.927 178 R CA 0.529 56.143 56.100 -0.810 0.000 1.052 178 R CB -0.548 29.016 30.300 -1.227 0.000 1.055 178 R HN 0.334 nan 8.270 nan 0.000 0.537 179 H N 0.434 119.443 119.070 -0.103 0.000 2.486 179 H HA 0.233 4.756 4.556 -0.056 0.000 0.239 179 H C -0.324 175.011 175.328 0.010 0.000 1.480 179 H CA -0.287 55.735 56.048 -0.043 0.000 1.324 179 H CB 0.812 30.556 29.762 -0.030 0.000 1.486 179 H HN -0.134 nan 8.280 nan 0.000 0.544 180 E N 2.105 122.348 120.200 0.072 0.000 2.441 180 E HA -0.067 4.254 4.350 -0.048 0.000 0.210 180 E C 0.482 177.130 176.600 0.080 0.000 1.306 180 E CA 0.349 56.798 56.400 0.081 0.000 1.307 180 E CB 0.036 29.769 29.700 0.055 0.000 1.297 180 E HN 0.767 nan 8.360 nan 0.000 0.440 181 D N -2.624 117.833 120.400 0.095 0.000 2.292 181 D HA -0.027 4.585 4.640 -0.048 0.000 0.322 181 D C -0.210 176.134 176.300 0.074 0.000 1.087 181 D CA -0.061 53.983 54.000 0.073 0.000 0.857 181 D CB 0.063 40.897 40.800 0.057 0.000 1.445 181 D HN -0.067 nan 8.370 nan 0.000 0.528 182 T N 3.550 118.160 114.554 0.094 0.000 2.738 182 T HA 0.447 4.769 4.350 -0.048 0.000 0.298 182 T C -2.483 172.274 174.700 0.096 0.000 0.962 182 T CA -0.925 61.218 62.100 0.073 0.000 0.972 182 T CB 1.791 70.677 68.868 0.029 0.000 0.928 182 T HN -0.014 nan 8.240 nan 0.000 0.474 183 P HA 0.193 nan 4.420 nan 0.000 0.272 183 P C -0.827 176.546 177.300 0.122 0.000 1.248 183 P CA -0.454 62.708 63.100 0.103 0.000 0.799 183 P CB 0.513 32.266 31.700 0.089 0.000 0.997 184 V N -0.061 119.934 119.914 0.135 0.000 2.656 184 V HA 0.348 4.439 4.120 -0.048 0.000 0.307 184 V C 0.117 176.312 176.094 0.168 0.000 1.051 184 V CA -0.475 61.921 62.300 0.160 0.000 0.893 184 V CB 1.671 33.594 31.823 0.167 0.000 0.999 184 V HN 0.483 nan 8.190 nan 0.000 0.426 185 E N 2.106 122.434 120.200 0.213 0.000 2.303 185 E HA 0.642 4.964 4.350 -0.048 0.000 0.254 185 E C -1.172 175.564 176.600 0.227 0.000 0.979 185 E CA -1.084 55.434 56.400 0.197 0.000 0.843 185 E CB 2.229 32.040 29.700 0.186 0.000 1.245 185 E HN 0.540 nan 8.360 nan 0.000 0.413 186 K N 0.943 121.447 120.400 0.173 0.000 2.259 186 K HA 0.562 4.854 4.320 -0.048 0.000 0.252 186 K C -0.691 175.987 176.600 0.129 0.000 0.936 186 K CA -0.623 55.767 56.287 0.173 0.000 0.810 186 K CB 1.989 34.573 32.500 0.140 0.000 1.143 186 K HN 0.220 nan 8.250 nan 0.000 0.427 187 R N 1.412 121.998 120.500 0.144 0.000 2.564 187 R HA 0.112 4.424 4.340 -0.048 0.000 0.284 187 R C -1.259 175.091 176.300 0.085 0.000 1.031 187 R CA -0.943 55.194 56.100 0.061 0.000 0.904 187 R CB 1.980 32.257 30.300 -0.038 0.000 1.199 187 R HN 0.551 nan 8.270 nan 0.000 0.443 188 E N 3.354 123.582 120.200 0.047 0.000 2.238 188 E HA 0.140 4.461 4.350 -0.048 0.000 0.264 188 E C -1.169 175.467 176.600 0.060 0.000 1.136 188 E CA 0.453 56.889 56.400 0.060 0.000 0.929 188 E CB 0.182 29.901 29.700 0.032 0.000 1.010 188 E HN 0.349 nan 8.360 nan 0.000 0.440 189 L N 3.377 124.662 121.223 0.104 0.000 2.465 189 L HA 0.382 4.694 4.340 -0.048 0.000 0.257 189 L C -0.763 176.185 176.870 0.130 0.000 0.988 189 L CA -0.832 54.072 54.840 0.107 0.000 0.827 189 L CB 2.231 44.376 42.059 0.144 0.000 1.397 189 L HN 0.465 nan 8.230 nan 0.000 0.410 190 E N 2.953 123.211 120.200 0.096 0.000 2.055 190 E HA 0.273 4.594 4.350 -0.048 0.000 0.274 190 E C -1.165 175.491 176.600 0.093 0.000 0.949 190 E CA -0.562 55.892 56.400 0.091 0.000 0.775 190 E CB 0.791 30.504 29.700 0.023 0.000 1.097 190 E HN 0.325 nan 8.360 nan 0.000 0.404 191 Q N 2.641 122.538 119.800 0.161 0.000 2.486 191 Q HA 0.333 4.645 4.340 -0.048 0.000 0.274 191 Q C -0.962 175.094 176.000 0.094 0.000 1.076 191 Q CA -0.609 55.261 55.803 0.113 0.000 0.872 191 Q CB 0.754 29.516 28.738 0.040 0.000 1.383 191 Q HN 0.509 nan 8.270 nan 0.000 0.478 192 W N 0.511 121.819 121.300 0.013 0.000 2.365 192 W HA 0.386 5.017 4.660 -0.049 0.000 0.316 192 W C -0.524 175.889 176.519 -0.176 0.000 1.164 192 W CA 0.082 57.454 57.345 0.045 0.000 1.204 192 W CB 0.577 30.088 29.460 0.085 0.000 1.213 192 W HN 0.391 nan 8.180 nan 0.000 0.539 193 Y N 1.691 121.933 120.300 -0.097 0.000 2.602 193 Y HA 0.640 5.162 4.550 -0.047 0.000 0.342 193 Y C -0.284 175.475 175.900 -0.235 0.000 1.029 193 Y CA -1.370 56.544 58.100 -0.309 0.000 1.080 193 Y CB 1.345 39.348 38.460 -0.763 0.000 1.284 193 Y HN -0.017 nan 8.280 nan 0.000 0.485 194 L N 1.942 123.227 121.223 0.102 0.000 2.343 194 L HA 0.488 4.799 4.340 -0.048 0.000 0.278 194 L C 0.263 177.266 176.870 0.221 0.000 0.996 194 L CA -0.748 54.187 54.840 0.157 0.000 0.831 194 L CB 1.710 43.876 42.059 0.179 0.000 1.232 194 L HN 0.556 nan 8.230 nan 0.000 0.413 195 R N 3.173 123.812 120.500 0.231 0.000 4.874 195 R HA 0.042 4.354 4.340 -0.048 0.000 0.173 195 R C 1.288 177.590 176.300 0.003 0.000 2.034 195 R CA 0.043 56.276 56.100 0.222 0.000 1.630 195 R CB -0.250 30.208 30.300 0.263 0.000 1.372 195 R HN 0.722 nan 8.270 nan 0.000 0.843 196 I N 0.435 120.893 120.570 -0.187 0.000 2.454 196 I HA -0.264 3.878 4.170 -0.048 0.000 0.254 196 I C 1.835 177.815 176.117 -0.229 0.000 1.156 196 I CA 1.622 62.523 61.300 -0.666 0.000 1.433 196 I CB 0.061 37.738 38.000 -0.538 0.000 1.082 196 I HN 0.513 nan 8.210 nan 0.000 0.432 197 T N -0.716 113.802 114.554 -0.060 0.000 2.803 197 T HA -0.170 4.152 4.350 -0.048 0.000 0.269 197 T C 1.929 176.603 174.700 -0.044 0.000 1.052 197 T CA 0.977 63.050 62.100 -0.046 0.000 1.136 197 T CB -0.786 68.088 68.868 0.010 0.000 0.864 197 T HN 0.412 nan 8.240 nan 0.000 0.467 198 A N 0.323 123.150 122.820 0.013 0.000 2.139 198 A HA -0.025 4.266 4.320 -0.048 0.000 0.221 198 A C 1.493 178.988 177.584 -0.149 0.000 1.159 198 A CA 1.051 53.067 52.037 -0.035 0.000 0.662 198 A CB -0.903 18.105 19.000 0.012 0.000 0.796 198 A HN 0.724 nan 8.150 nan 0.000 0.463 199 Y N -1.812 118.426 120.300 -0.102 0.000 2.612 199 Y HA 0.463 4.984 4.550 -0.047 0.000 0.250 199 Y C 2.120 177.923 175.900 -0.162 0.000 1.175 199 Y CA -0.431 57.632 58.100 -0.061 0.000 1.205 199 Y CB -0.366 38.133 38.460 0.066 0.000 1.201 199 Y HN 0.262 nan 8.280 nan 0.000 0.532 200 A N 0.300 123.000 122.820 -0.200 0.000 1.892 200 A HA -0.275 4.017 4.320 -0.048 0.000 0.218 200 A C 2.136 179.441 177.584 -0.465 0.000 1.188 200 A CA 2.332 54.077 52.037 -0.487 0.000 0.631 200 A CB -0.309 18.027 19.000 -1.107 0.000 0.822 200 A HN 0.367 nan 8.150 nan 0.000 0.447 201 E N 0.024 120.002 120.200 -0.370 0.000 2.031 201 E HA -0.169 4.152 4.350 -0.048 0.000 0.193 201 E C 2.197 178.759 176.600 -0.063 0.000 0.994 201 E CA 1.702 58.019 56.400 -0.138 0.000 0.800 201 E CB -0.271 29.429 29.700 -0.001 0.000 0.752 201 E HN 0.618 nan 8.360 nan 0.000 0.447 202 R N -0.231 120.251 120.500 -0.029 0.000 2.073 202 R HA -0.031 4.281 4.340 -0.048 0.000 0.234 202 R C 2.654 178.958 176.300 0.008 0.000 1.134 202 R CA 1.377 57.488 56.100 0.019 0.000 0.952 202 R CB -0.524 29.834 30.300 0.096 0.000 0.850 202 R HN 0.222 nan 8.270 nan 0.000 0.433 203 L N 0.561 121.795 121.223 0.017 0.000 2.129 203 L HA -0.210 4.102 4.340 -0.048 0.000 0.212 203 L C 2.264 179.097 176.870 -0.062 0.000 1.087 203 L CA 0.792 55.622 54.840 -0.016 0.000 0.757 203 L CB -0.295 41.760 42.059 -0.007 0.000 0.896 203 L HN 0.237 nan 8.230 nan 0.000 0.434 204 L N -0.940 120.245 121.223 -0.063 0.000 2.202 204 L HA -0.048 4.263 4.340 -0.048 0.000 0.205 204 L C 2.322 179.165 176.870 -0.046 0.000 1.083 204 L CA 1.605 56.415 54.840 -0.050 0.000 0.790 204 L CB -0.622 41.420 42.059 -0.029 0.000 0.942 204 L HN -0.023 nan 8.230 nan 0.000 0.452 205 K N -0.054 120.324 120.400 -0.037 0.000 2.103 205 K HA -0.086 4.205 4.320 -0.048 0.000 0.204 205 K C 0.857 177.423 176.600 -0.057 0.000 1.052 205 K CA 1.193 57.460 56.287 -0.032 0.000 0.945 205 K CB -0.115 32.376 32.500 -0.015 0.000 0.722 205 K HN 0.405 nan 8.250 nan 0.000 0.443 206 D N 0.817 121.172 120.400 -0.075 0.000 2.336 206 D HA -0.007 4.604 4.640 -0.048 0.000 0.229 206 D C 1.582 177.773 176.300 -0.181 0.000 1.061 206 D CA 0.163 54.097 54.000 -0.110 0.000 0.875 206 D CB 0.193 40.931 40.800 -0.102 0.000 0.904 206 D HN 0.188 nan 8.370 nan 0.000 0.525 207 L N 0.233 121.350 121.223 -0.176 0.000 2.162 207 L HA -0.044 4.268 4.340 -0.048 0.000 0.205 207 L C 2.188 178.946 176.870 -0.188 0.000 1.086 207 L CA 0.614 55.310 54.840 -0.240 0.000 0.778 207 L CB -0.094 41.855 42.059 -0.182 0.000 0.928 207 L HN -0.045 nan 8.230 nan 0.000 0.446 208 E N 0.479 120.608 120.200 -0.118 0.000 2.082 208 E HA -0.280 4.041 4.350 -0.048 0.000 0.215 208 E C 1.970 178.518 176.600 -0.086 0.000 1.048 208 E CA 1.602 57.952 56.400 -0.082 0.000 0.869 208 E CB -0.468 29.198 29.700 -0.057 0.000 0.773 208 E HN 0.554 nan 8.360 nan 0.000 0.466 209 G N 0.642 109.385 108.800 -0.095 0.000 2.679 209 G HA2 -0.051 3.880 3.960 -0.048 0.000 0.212 209 G HA3 -0.051 3.880 3.960 -0.048 0.000 0.212 209 G C 0.481 175.318 174.900 -0.105 0.000 1.137 209 G CA -0.284 44.765 45.100 -0.084 0.000 0.787 209 G HN -0.023 nan 8.290 nan 0.000 0.534 210 L N 1.034 122.153 121.223 -0.174 0.000 2.455 210 L HA 0.227 4.538 4.340 -0.048 0.000 0.272 210 L C 0.241 177.051 176.870 -0.100 0.000 1.174 210 L CA -0.287 54.404 54.840 -0.249 0.000 0.869 210 L CB 0.795 42.510 42.059 -0.573 0.000 1.130 210 L HN 0.077 nan 8.230 nan 0.000 0.474 211 N N 3.858 122.580 118.700 0.035 0.000 3.083 211 N HA 0.206 4.918 4.740 -0.048 0.000 0.260 211 N C -1.402 174.337 175.510 0.382 0.000 1.163 211 N CA -0.348 52.789 53.050 0.146 0.000 1.060 211 N CB 0.153 38.703 38.487 0.105 0.000 1.345 211 N HN 0.344 nan 8.380 nan 0.000 0.515 212 W N 1.502 122.792 121.300 -0.016 0.000 2.804 212 W HA 0.501 5.133 4.660 -0.047 0.000 0.352 212 W C -2.085 174.418 176.519 -0.027 0.000 1.153 212 W CA -2.185 55.151 57.345 -0.015 0.000 1.119 212 W CB -0.220 29.232 29.460 -0.013 0.000 1.448 212 W HN 0.205 nan 8.180 nan 0.000 0.600 213 P HA 0.025 nan 4.420 nan 0.000 0.271 213 P C 0.701 178.047 177.300 0.078 0.000 1.226 213 P CA 0.207 63.329 63.100 0.036 0.000 0.765 213 P CB 0.895 32.553 31.700 -0.070 0.000 0.835 214 E N 4.311 124.542 120.200 0.052 0.000 2.233 214 E HA -0.272 4.050 4.350 -0.048 0.000 0.199 214 E C 1.615 178.240 176.600 0.041 0.000 1.004 214 E CA 1.633 58.061 56.400 0.047 0.000 0.819 214 E CB -0.247 29.468 29.700 0.024 0.000 0.738 214 E HN 0.346 nan 8.360 nan 0.000 0.478 215 K N -0.462 119.951 120.400 0.022 0.000 2.097 215 K HA -0.100 4.192 4.320 -0.048 0.000 0.205 215 K C 1.858 178.477 176.600 0.032 0.000 1.050 215 K CA 1.457 57.751 56.287 0.012 0.000 0.938 215 K CB 0.039 32.528 32.500 -0.019 0.000 0.718 215 K HN 0.106 nan 8.250 nan 0.000 0.442 216 V N 1.705 121.653 119.914 0.056 0.000 2.323 216 V HA -0.192 3.899 4.120 -0.048 0.000 0.244 216 V C 2.137 178.319 176.094 0.146 0.000 1.041 216 V CA 1.723 64.082 62.300 0.097 0.000 1.025 216 V CB -0.420 31.483 31.823 0.133 0.000 0.656 216 V HN 0.320 nan 8.190 nan 0.000 0.451 217 K N 1.001 121.507 120.400 0.177 0.000 2.020 217 K HA -0.200 4.092 4.320 -0.048 0.000 0.212 217 K C 2.323 178.963 176.600 0.067 0.000 1.050 217 K CA 1.739 58.093 56.287 0.112 0.000 0.929 217 K CB -0.637 31.905 32.500 0.071 0.000 0.714 217 K HN 0.438 nan 8.250 nan 0.000 0.443 218 A N 1.155 124.010 122.820 0.058 0.000 1.986 218 A HA -0.206 4.085 4.320 -0.048 0.000 0.220 218 A C 2.109 179.729 177.584 0.059 0.000 1.171 218 A CA 1.739 53.804 52.037 0.047 0.000 0.640 218 A CB -0.522 18.501 19.000 0.038 0.000 0.811 218 A HN 0.264 nan 8.150 nan 0.000 0.451 219 M N -1.329 118.309 119.600 0.064 0.000 2.288 219 M HA -0.129 4.322 4.480 -0.048 0.000 0.266 219 M C 2.359 178.722 176.300 0.106 0.000 1.072 219 M CA 1.113 56.457 55.300 0.075 0.000 1.132 219 M CB -0.132 32.491 32.600 0.039 0.000 1.386 219 M HN 0.493 nan 8.290 nan 0.000 0.432 220 Q N -0.353 119.498 119.800 0.083 0.000 2.137 220 Q HA -0.076 4.235 4.340 -0.048 0.000 0.198 220 Q C 2.036 178.101 176.000 0.108 0.000 0.960 220 Q CA 0.934 56.792 55.803 0.091 0.000 0.847 220 Q CB -0.072 28.690 28.738 0.040 0.000 0.915 220 Q HN 0.515 nan 8.270 nan 0.000 0.448 221 R N 0.703 121.246 120.500 0.070 0.000 2.083 221 R HA -0.139 4.172 4.340 -0.048 0.000 0.237 221 R C 2.275 178.622 176.300 0.078 0.000 1.137 221 R CA 1.461 57.596 56.100 0.057 0.000 0.951 221 R CB -0.417 29.907 30.300 0.039 0.000 0.851 221 R HN 0.188 nan 8.270 nan 0.000 0.434 222 A N 0.559 123.435 122.820 0.092 0.000 1.969 222 A HA -0.172 4.119 4.320 -0.048 0.000 0.218 222 A C 1.840 179.491 177.584 0.112 0.000 1.169 222 A CA 0.817 52.907 52.037 0.087 0.000 0.635 222 A CB -0.746 18.306 19.000 0.087 0.000 0.810 222 A HN 0.626 nan 8.150 nan 0.000 0.445 223 W N 0.288 121.573 121.300 -0.025 0.000 2.476 223 W HA -0.040 4.591 4.660 -0.048 0.000 0.281 223 W C 1.475 177.975 176.519 -0.033 0.000 1.230 223 W CA 1.204 58.526 57.345 -0.039 0.000 1.287 223 W CB -0.056 29.364 29.460 -0.067 0.000 1.108 223 W HN 0.319 nan 8.180 nan 0.000 0.567 224 I N 1.183 121.816 120.570 0.106 0.000 2.406 224 I HA -0.005 4.136 4.170 -0.048 0.000 0.249 224 I C 1.467 177.602 176.117 0.029 0.000 1.122 224 I CA 1.064 62.378 61.300 0.024 0.000 1.431 224 I CB -1.119 36.898 38.000 0.028 0.000 1.087 224 I HN 0.003 nan 8.210 nan 0.000 0.424 225 G N 3.763 112.587 108.800 0.041 0.000 2.195 225 G HA2 -0.305 3.627 3.960 -0.048 0.000 0.256 225 G HA3 -0.305 3.627 3.960 -0.048 0.000 0.256 225 G C 0.293 175.277 174.900 0.140 0.000 0.817 225 G CA 0.200 45.329 45.100 0.048 0.000 1.235 225 G HN 0.441 nan 8.290 nan 0.000 0.358 226 R N 0.510 121.128 120.500 0.197 0.000 2.539 226 R HA 0.554 4.865 4.340 -0.048 0.000 0.275 226 R C -0.356 175.982 176.300 0.063 0.000 1.077 226 R CA 0.310 56.542 56.100 0.220 0.000 1.097 226 R CB 1.040 31.510 30.300 0.283 0.000 1.018 226 R HN 0.501 nan 8.270 nan 0.000 0.483 227 S N 2.423 118.102 115.700 -0.035 0.000 2.649 227 S HA 0.195 4.636 4.470 -0.048 0.000 0.274 227 S C -1.568 173.080 174.600 0.080 0.000 1.176 227 S CA -0.764 57.470 58.200 0.057 0.000 0.988 227 S CB 1.080 64.379 63.200 0.165 0.000 1.071 227 S HN 0.677 nan 8.310 nan 0.000 0.478 228 E N 2.219 122.476 120.200 0.095 0.000 2.301 228 E HA 0.659 4.981 4.350 -0.048 0.000 0.275 228 E C 0.604 177.295 176.600 0.152 0.000 1.030 228 E CA -0.451 56.007 56.400 0.097 0.000 0.852 228 E CB 1.480 31.203 29.700 0.038 0.000 1.060 228 E HN 0.748 nan 8.360 nan 0.000 0.401 229 G N 0.680 109.570 108.800 0.150 0.000 2.450 229 G HA2 0.585 4.516 3.960 -0.048 0.000 0.273 229 G HA3 0.585 4.516 3.960 -0.048 0.000 0.273 229 G C -1.762 173.079 174.900 -0.099 0.000 1.221 229 G CA -0.150 44.882 45.100 -0.113 0.000 0.900 229 G HN 0.614 nan 8.290 nan 0.000 0.483 230 A N -0.539 122.087 122.820 -0.324 0.000 2.435 230 A HA 0.793 5.084 4.320 -0.048 0.000 0.304 230 A C -0.812 176.723 177.584 -0.081 0.000 1.064 230 A CA -0.329 51.637 52.037 -0.119 0.000 0.727 230 A CB 1.879 20.822 19.000 -0.096 0.000 1.284 230 A HN 0.682 nan 8.150 nan 0.000 0.415 231 E N 2.892 123.130 120.200 0.063 0.000 2.070 231 E HA 0.491 4.812 4.350 -0.048 0.000 0.261 231 E C -1.063 175.583 176.600 0.078 0.000 0.926 231 E CA -0.262 56.202 56.400 0.107 0.000 0.760 231 E CB 0.314 30.085 29.700 0.118 0.000 1.133 231 E HN 0.582 nan 8.360 nan 0.000 0.420 232 I N 4.392 125.023 120.570 0.102 0.000 2.499 232 I HA 0.263 4.404 4.170 -0.048 0.000 0.296 232 I C -0.048 176.206 176.117 0.227 0.000 0.992 232 I CA -0.904 60.485 61.300 0.149 0.000 1.297 232 I CB 1.217 39.352 38.000 0.224 0.000 1.410 232 I HN 0.409 nan 8.210 nan 0.000 0.507 233 L N 5.122 126.443 121.223 0.163 0.000 2.296 233 L HA 0.439 4.750 4.340 -0.048 0.000 0.286 233 L C -1.129 175.848 176.870 0.178 0.000 1.023 233 L CA -0.410 54.538 54.840 0.180 0.000 0.812 233 L CB 1.058 43.156 42.059 0.066 0.000 1.223 233 L HN 0.362 nan 8.230 nan 0.000 0.421 234 F N 3.860 123.812 119.950 0.003 0.000 2.388 234 F HA 0.454 4.953 4.527 -0.047 0.000 0.358 234 F C -2.053 173.755 175.800 0.012 0.000 1.122 234 F CA -2.738 55.266 58.000 0.006 0.000 1.056 234 F CB 1.211 40.215 39.000 0.007 0.000 1.155 234 F HN 0.213 nan 8.300 nan 0.000 0.461 235 P HA 0.131 nan 4.420 nan 0.000 0.271 235 P C -0.637 176.727 177.300 0.107 0.000 1.216 235 P CA -0.163 62.982 63.100 0.074 0.000 0.776 235 P CB 0.875 32.589 31.700 0.023 0.000 0.881 236 V N 2.820 122.785 119.914 0.086 0.000 2.509 236 V HA 0.098 4.189 4.120 -0.048 0.000 0.284 236 V C 0.782 176.923 176.094 0.078 0.000 1.047 236 V CA -0.471 61.883 62.300 0.091 0.000 0.952 236 V CB 0.785 32.646 31.823 0.063 0.000 0.988 236 V HN 0.571 nan 8.190 nan 0.000 0.469 237 E N 3.079 123.340 120.200 0.103 0.000 2.498 237 E HA 0.243 4.565 4.350 -0.048 0.000 0.252 237 E C 1.316 177.939 176.600 0.039 0.000 1.025 237 E CA 0.956 57.401 56.400 0.075 0.000 0.938 237 E CB 0.031 29.788 29.700 0.094 0.000 0.947 237 E HN 0.969 nan 8.360 nan 0.000 0.478 238 G N 4.966 113.779 108.800 0.022 0.000 2.708 238 G HA2 -0.304 3.627 3.960 -0.048 0.000 0.229 238 G HA3 -0.304 3.627 3.960 -0.048 0.000 0.229 238 G C 0.327 175.232 174.900 0.009 0.000 1.236 238 G CA 0.398 45.503 45.100 0.008 0.000 0.749 238 G HN 0.537 nan 8.290 nan 0.000 0.515 239 K N 1.326 121.736 120.400 0.015 0.000 2.234 239 K HA 0.310 4.602 4.320 -0.048 0.000 0.251 239 K C 1.476 178.083 176.600 0.013 0.000 1.011 239 K CA 0.898 57.192 56.287 0.012 0.000 0.889 239 K CB 0.384 32.893 32.500 0.015 0.000 1.011 239 K HN 0.557 nan 8.250 nan 0.000 0.505 240 E N -0.096 120.109 120.200 0.009 0.000 2.276 240 E HA 0.003 4.325 4.350 -0.048 0.000 0.193 240 E C 0.809 177.416 176.600 0.012 0.000 0.983 240 E CA -0.080 56.324 56.400 0.007 0.000 0.861 240 E CB -0.160 29.542 29.700 0.002 0.000 0.817 240 E HN 0.229 nan 8.360 nan 0.000 0.485 241 V N 1.444 121.367 119.914 0.016 0.000 2.963 241 V HA 0.166 4.257 4.120 -0.048 0.000 0.306 241 V C -0.298 175.817 176.094 0.036 0.000 1.077 241 V CA -0.209 62.105 62.300 0.024 0.000 1.124 241 V CB 0.799 32.636 31.823 0.024 0.000 0.987 241 V HN 0.150 nan 8.190 nan 0.000 0.487 242 R N 5.456 125.983 120.500 0.044 0.000 2.670 242 R HA 0.593 4.905 4.340 -0.048 0.000 0.289 242 R C -1.066 175.284 176.300 0.083 0.000 0.965 242 R CA -0.718 55.421 56.100 0.064 0.000 0.899 242 R CB 2.031 32.361 30.300 0.050 0.000 1.173 242 R HN 0.639 nan 8.270 nan 0.000 0.456 243 I N 3.956 124.595 120.570 0.114 0.000 2.312 243 I HA 0.290 4.431 4.170 -0.048 0.000 0.290 243 I C -2.209 173.989 176.117 0.135 0.000 1.008 243 I CA -2.316 59.049 61.300 0.108 0.000 1.226 243 I CB 1.676 39.707 38.000 0.052 0.000 1.371 243 I HN 0.210 nan 8.210 nan 0.000 0.468 244 P HA 0.242 nan 4.420 nan 0.000 0.292 244 P C -0.916 176.437 177.300 0.088 0.000 1.287 244 P CA -0.348 62.819 63.100 0.111 0.000 0.800 244 P CB 1.353 33.103 31.700 0.084 0.000 0.945 245 V N 0.983 120.943 119.914 0.077 0.000 2.876 245 V HA 0.666 4.757 4.120 -0.048 0.000 0.312 245 V C -0.919 175.228 176.094 0.088 0.000 1.085 245 V CA -1.076 61.241 62.300 0.028 0.000 0.945 245 V CB 1.966 33.715 31.823 -0.122 0.000 1.017 245 V HN 0.320 nan 8.190 nan 0.000 0.428 246 F N 2.344 122.252 119.950 -0.070 0.000 2.432 246 F HA 0.857 5.356 4.527 -0.048 0.000 0.329 246 F C 0.130 175.905 175.800 -0.042 0.000 1.076 246 F CA 0.290 58.245 58.000 -0.075 0.000 1.018 246 F CB 1.965 40.875 39.000 -0.151 0.000 1.201 246 F HN 1.013 nan 8.300 nan 0.000 0.489 247 T N 2.049 115.964 114.554 -1.064 0.000 3.291 247 T HA 0.232 4.553 4.350 -0.048 0.000 0.344 247 T C 0.059 174.297 174.700 -0.770 0.000 1.293 247 T CA 0.024 61.709 62.100 -0.692 0.000 1.108 247 T CB 0.784 69.475 68.868 -0.295 0.000 1.231 247 T HN 0.847 nan 8.240 nan 0.000 0.474 248 T N 1.725 115.992 114.554 -0.478 0.000 3.188 248 T HA 0.345 4.666 4.350 -0.048 0.000 0.250 248 T C 0.677 175.274 174.700 -0.172 0.000 1.077 248 T CA -0.276 61.657 62.100 -0.279 0.000 0.967 248 T CB -0.020 68.788 68.868 -0.100 0.000 1.006 248 T HN 0.379 nan 8.240 nan 0.000 0.552 249 R N 1.391 121.788 120.500 -0.172 0.000 2.638 249 R HA 0.267 4.578 4.340 -0.048 0.000 0.269 249 R C -2.357 173.884 176.300 -0.099 0.000 1.393 249 R CA -1.674 54.358 56.100 -0.113 0.000 1.531 249 R CB 1.030 31.285 30.300 -0.076 0.000 1.327 249 R HN 0.251 nan 8.270 nan 0.000 0.709 250 P HA -0.131 nan 4.420 nan 0.000 0.225 250 P C 0.454 177.706 177.300 -0.080 0.000 1.148 250 P CA 0.950 64.000 63.100 -0.084 0.000 0.779 250 P CB 0.201 31.848 31.700 -0.089 0.000 0.780 251 D N 0.130 120.469 120.400 -0.102 0.000 2.358 251 D HA -0.057 4.554 4.640 -0.048 0.000 0.241 251 D C 0.670 176.928 176.300 -0.071 0.000 1.094 251 D CA 0.848 54.770 54.000 -0.130 0.000 0.907 251 D CB -0.741 39.980 40.800 -0.132 0.000 0.893 251 D HN 0.253 nan 8.370 nan 0.000 0.528 252 T N -3.427 111.123 114.554 -0.005 0.000 3.144 252 T HA 0.082 4.404 4.350 -0.048 0.000 0.290 252 T C 1.511 176.290 174.700 0.131 0.000 0.966 252 T CA -0.355 61.796 62.100 0.085 0.000 0.907 252 T CB -0.238 68.706 68.868 0.126 0.000 1.152 252 T HN 0.010 nan 8.240 nan 0.000 0.532 253 L N 1.169 122.447 121.223 0.092 0.000 2.064 253 L HA 0.014 4.326 4.340 -0.048 0.000 0.216 253 L C 1.527 178.411 176.870 0.024 0.000 1.077 253 L CA 1.941 56.813 54.840 0.054 0.000 0.766 253 L CB -0.998 41.041 42.059 -0.032 0.000 0.890 253 L HN 0.335 nan 8.230 nan 0.000 0.435 254 F N -0.445 119.510 119.950 0.008 0.000 2.722 254 F HA 0.054 4.552 4.527 -0.048 0.000 0.298 254 F C 2.200 178.038 175.800 0.063 0.000 1.175 254 F CA 0.900 58.919 58.000 0.032 0.000 1.462 254 F CB -0.722 38.287 39.000 0.015 0.000 1.111 254 F HN 0.218 nan 8.300 nan 0.000 0.592 255 G N -0.734 108.193 108.800 0.211 0.000 3.020 255 G HA2 0.312 4.243 3.960 -0.048 0.000 0.217 255 G HA3 0.312 4.243 3.960 -0.048 0.000 0.217 255 G C 0.564 175.518 174.900 0.090 0.000 1.144 255 G CA 0.253 45.449 45.100 0.160 0.000 0.760 255 G HN 0.300 nan 8.290 nan 0.000 0.548 256 A N 1.229 124.099 122.820 0.084 0.000 2.484 256 A HA 0.462 4.754 4.320 -0.048 0.000 0.268 256 A C 1.449 179.078 177.584 0.076 0.000 1.114 256 A CA 0.805 52.867 52.037 0.041 0.000 0.780 256 A CB 0.065 19.142 19.000 0.128 0.000 1.061 256 A HN 0.354 nan 8.150 nan 0.000 0.505 257 T N -0.406 114.179 114.554 0.052 0.000 3.054 257 T HA 0.487 4.808 4.350 -0.048 0.000 0.255 257 T C -0.003 174.914 174.700 0.361 0.000 1.035 257 T CA 0.425 62.647 62.100 0.203 0.000 0.941 257 T CB -0.653 68.368 68.868 0.255 0.000 1.026 257 T HN 1.262 nan 8.240 nan 0.000 0.533 258 F N -0.732 119.218 119.950 0.001 0.000 2.799 258 F HA 0.675 5.173 4.527 -0.048 0.000 0.316 258 F C -2.444 173.305 175.800 -0.084 0.000 1.155 258 F CA -2.045 55.944 58.000 -0.018 0.000 0.916 258 F CB 0.718 39.691 39.000 -0.046 0.000 1.294 258 F HN -0.158 nan 8.300 nan 0.000 0.447 259 L N 1.954 123.222 121.223 0.076 0.000 2.333 259 L HA 0.917 5.229 4.340 -0.048 0.000 0.269 259 L C -1.056 175.818 176.870 0.007 0.000 1.010 259 L CA -1.522 53.233 54.840 -0.142 0.000 0.818 259 L CB 2.063 43.999 42.059 -0.206 0.000 1.306 259 L HN 0.605 nan 8.230 nan 0.000 0.430 260 V N 3.129 122.960 119.914 -0.139 0.000 2.569 260 V HA 0.415 4.507 4.120 -0.048 0.000 0.301 260 V C -0.179 175.817 176.094 -0.163 0.000 1.044 260 V CA -0.402 61.819 62.300 -0.133 0.000 0.874 260 V CB 2.011 33.629 31.823 -0.342 0.000 1.002 260 V HN 0.502 nan 8.190 nan 0.000 0.424 261 L N 3.401 124.552 121.223 -0.121 0.000 2.360 261 L HA 0.793 5.105 4.340 -0.048 0.000 0.271 261 L C 0.777 177.625 176.870 -0.036 0.000 1.057 261 L CA -0.622 54.147 54.840 -0.118 0.000 0.803 261 L CB 1.516 43.400 42.059 -0.292 0.000 1.207 261 L HN 0.724 nan 8.230 nan 0.000 0.445 262 A N 2.622 125.487 122.820 0.075 0.000 2.440 262 A HA 0.345 4.637 4.320 -0.048 0.000 0.251 262 A C -1.700 175.920 177.584 0.061 0.000 1.089 262 A CA -1.153 50.936 52.037 0.086 0.000 0.779 262 A CB 0.175 19.290 19.000 0.192 0.000 1.022 262 A HN 0.600 nan 8.150 nan 0.000 0.492 263 P HA -0.225 nan 4.420 nan 0.000 0.217 263 P C 0.619 177.923 177.300 0.007 0.000 1.158 263 P CA 1.863 65.010 63.100 0.078 0.000 0.887 263 P CB 0.157 31.907 31.700 0.084 0.000 0.792 264 E N -2.824 117.359 120.200 -0.028 0.000 2.511 264 E HA -0.085 4.236 4.350 -0.048 0.000 0.196 264 E C 0.818 177.172 176.600 -0.410 0.000 1.066 264 E CA 0.173 56.493 56.400 -0.132 0.000 0.871 264 E CB -0.935 28.748 29.700 -0.027 0.000 0.863 264 E HN 0.395 nan 8.360 nan 0.000 0.520 265 H N 0.666 119.441 119.070 -0.491 0.000 2.928 265 H HA 0.007 4.534 4.556 -0.048 0.000 0.338 265 H C -1.701 173.400 175.328 -0.378 0.000 1.047 265 H CA -1.767 53.906 56.048 -0.625 0.000 1.435 265 H CB 1.099 30.669 29.762 -0.321 0.000 1.428 265 H HN -0.134 nan 8.280 nan 0.000 0.590 266 P HA -0.150 nan 4.420 nan 0.000 0.214 266 P C 1.656 179.003 177.300 0.078 0.000 1.163 266 P CA 1.355 64.463 63.100 0.013 0.000 0.889 266 P CB 0.161 31.848 31.700 -0.022 0.000 0.790 267 L N -1.530 119.794 121.223 0.168 0.000 2.633 267 L HA -0.083 4.229 4.340 -0.048 0.000 0.235 267 L C 1.825 178.616 176.870 -0.132 0.000 1.163 267 L CA 1.005 55.813 54.840 -0.052 0.000 0.859 267 L CB -1.265 40.701 42.059 -0.155 0.000 0.973 267 L HN 0.058 nan 8.230 nan 0.000 0.451 268 T N -0.185 114.303 114.554 -0.110 0.000 2.915 268 T HA -0.037 4.285 4.350 -0.048 0.000 0.269 268 T C 1.822 176.471 174.700 -0.084 0.000 1.071 268 T CA 1.050 63.084 62.100 -0.109 0.000 1.132 268 T CB 0.104 68.936 68.868 -0.060 0.000 0.878 268 T HN 0.294 nan 8.240 nan 0.000 0.479 269 L N -0.356 120.829 121.223 -0.063 0.000 2.577 269 L HA 0.303 4.615 4.340 -0.048 0.000 0.225 269 L C 2.397 179.233 176.870 -0.056 0.000 1.053 269 L CA 0.333 55.139 54.840 -0.057 0.000 0.866 269 L CB -0.005 42.030 42.059 -0.040 0.000 1.132 269 L HN 0.146 nan 8.230 nan 0.000 0.486 270 E N 0.712 120.884 120.200 -0.047 0.000 2.418 270 E HA -0.115 4.206 4.350 -0.048 0.000 0.197 270 E C 1.832 178.403 176.600 -0.049 0.000 1.026 270 E CA 0.704 57.081 56.400 -0.039 0.000 0.862 270 E CB 0.356 30.042 29.700 -0.024 0.000 0.799 270 E HN 0.471 nan 8.360 nan 0.000 0.518 271 L N -0.283 120.899 121.223 -0.069 0.000 2.717 271 L HA 0.319 4.631 4.340 -0.048 0.000 0.239 271 L C 0.755 177.559 176.870 -0.110 0.000 1.086 271 L CA -0.109 54.685 54.840 -0.078 0.000 0.897 271 L CB 0.334 42.344 42.059 -0.082 0.000 1.214 271 L HN -0.029 nan 8.230 nan 0.000 0.508 272 A N 1.687 124.431 122.820 -0.126 0.000 2.561 272 A HA 0.360 4.651 4.320 -0.048 0.000 0.251 272 A C 0.749 178.243 177.584 -0.150 0.000 1.062 272 A CA 0.257 52.195 52.037 -0.166 0.000 0.761 272 A CB -0.226 18.691 19.000 -0.139 0.000 0.986 272 A HN 0.282 nan 8.150 nan 0.000 0.510 273 A N 5.125 127.829 122.820 -0.193 0.000 2.511 273 A HA 0.442 4.733 4.320 -0.048 0.000 0.242 273 A C -1.005 176.507 177.584 -0.120 0.000 1.069 273 A CA -0.773 51.174 52.037 -0.150 0.000 0.763 273 A CB -0.224 18.668 19.000 -0.179 0.000 1.001 273 A HN 0.648 nan 8.150 nan 0.000 0.498 274 P HA -0.153 nan 4.420 nan 0.000 0.220 274 P C 0.525 177.787 177.300 -0.064 0.000 1.144 274 P CA 1.554 64.616 63.100 -0.065 0.000 0.800 274 P CB 0.213 31.883 31.700 -0.049 0.000 0.772 275 E N -1.354 118.802 120.200 -0.074 0.000 2.442 275 E HA -0.001 4.321 4.350 -0.048 0.000 0.195 275 E C 1.558 178.108 176.600 -0.084 0.000 1.030 275 E CA 0.609 56.970 56.400 -0.065 0.000 0.869 275 E CB -0.135 29.533 29.700 -0.054 0.000 0.857 275 E HN 0.171 nan 8.360 nan 0.000 0.505 276 K N -0.082 120.244 120.400 -0.123 0.000 2.370 276 K HA 0.180 4.472 4.320 -0.048 0.000 0.194 276 K C 1.820 178.346 176.600 -0.123 0.000 1.070 276 K CA 0.033 56.227 56.287 -0.155 0.000 0.998 276 K CB 0.253 32.591 32.500 -0.270 0.000 0.911 276 K HN -0.100 nan 8.250 nan 0.000 0.533 277 R N 2.592 123.030 120.500 -0.104 0.000 2.133 277 R HA -0.201 4.111 4.340 -0.048 0.000 0.245 277 R C 1.787 178.058 176.300 -0.048 0.000 1.137 277 R CA 2.165 58.220 56.100 -0.074 0.000 0.947 277 R CB -0.555 29.708 30.300 -0.061 0.000 0.865 277 R HN 0.314 nan 8.270 nan 0.000 0.437 278 E N -0.707 119.469 120.200 -0.039 0.000 2.501 278 E HA -0.216 4.106 4.350 -0.048 0.000 0.203 278 E C 1.290 177.884 176.600 -0.010 0.000 1.072 278 E CA 1.253 57.641 56.400 -0.020 0.000 0.885 278 E CB 0.048 29.738 29.700 -0.018 0.000 0.813 278 E HN 0.594 nan 8.360 nan 0.000 0.556 279 E N -1.338 118.848 120.200 -0.023 0.000 2.367 279 E HA -0.021 4.301 4.350 -0.048 0.000 0.204 279 E C 1.799 178.405 176.600 0.011 0.000 0.840 279 E CA 0.190 56.586 56.400 -0.007 0.000 1.051 279 E CB 0.458 30.134 29.700 -0.041 0.000 1.051 279 E HN 0.102 nan 8.360 nan 0.000 0.509 280 V N 2.024 121.919 119.914 -0.033 0.000 2.307 280 V HA -0.223 3.868 4.120 -0.048 0.000 0.245 280 V C 2.472 178.599 176.094 0.053 0.000 1.045 280 V CA 1.643 63.935 62.300 -0.014 0.000 1.024 280 V CB -0.370 31.406 31.823 -0.078 0.000 0.651 280 V HN 0.357 nan 8.190 nan 0.000 0.449 281 L N 0.057 121.293 121.223 0.020 0.000 2.201 281 L HA -0.076 4.235 4.340 -0.048 0.000 0.212 281 L C 2.306 179.204 176.870 0.046 0.000 1.105 281 L CA 1.526 56.381 54.840 0.025 0.000 0.775 281 L CB -0.342 41.718 42.059 0.002 0.000 0.913 281 L HN 0.310 nan 8.230 nan 0.000 0.440 282 A N -1.505 121.353 122.820 0.065 0.000 2.072 282 A HA -0.191 4.101 4.320 -0.048 0.000 0.216 282 A C 1.989 179.645 177.584 0.119 0.000 1.156 282 A CA 0.836 52.917 52.037 0.074 0.000 0.701 282 A CB -0.642 18.400 19.000 0.069 0.000 0.816 282 A HN 0.617 nan 8.150 nan 0.000 0.458 283 Y N -0.104 120.203 120.300 0.012 0.000 2.314 283 Y HA -0.073 4.449 4.550 -0.047 0.000 0.294 283 Y C 2.220 178.137 175.900 0.029 0.000 1.119 283 Y CA 1.428 59.545 58.100 0.029 0.000 1.179 283 Y CB 0.192 38.669 38.460 0.029 0.000 1.025 283 Y HN 0.092 nan 8.280 nan 0.000 0.541 284 V N 0.461 120.425 119.914 0.083 0.000 2.261 284 V HA -0.299 3.792 4.120 -0.048 0.000 0.246 284 V C 1.807 177.880 176.094 -0.034 0.000 1.047 284 V CA 2.282 64.588 62.300 0.009 0.000 1.015 284 V CB -0.587 31.254 31.823 0.031 0.000 0.642 284 V HN 0.357 nan 8.190 nan 0.000 0.446 285 E N -0.212 119.981 120.200 -0.011 0.000 2.463 285 E HA -0.086 4.235 4.350 -0.048 0.000 0.201 285 E C 1.998 178.580 176.600 -0.031 0.000 1.045 285 E CA 0.830 57.222 56.400 -0.014 0.000 0.872 285 E CB -0.105 29.595 29.700 -0.000 0.000 0.797 285 E HN 0.636 nan 8.360 nan 0.000 0.538 286 A N 0.572 123.348 122.820 -0.074 0.000 1.973 286 A HA 0.258 4.549 4.320 -0.048 0.000 0.210 286 A C 2.206 179.713 177.584 -0.128 0.000 1.200 286 A CA 0.759 52.739 52.037 -0.095 0.000 0.707 286 A CB -0.001 18.924 19.000 -0.125 0.000 0.862 286 A HN 0.253 nan 8.150 nan 0.000 0.461 287 A N 0.301 123.003 122.820 -0.197 0.000 1.898 287 A HA -0.054 4.238 4.320 -0.048 0.000 0.214 287 A C 2.080 179.637 177.584 -0.045 0.000 1.183 287 A CA 1.737 53.684 52.037 -0.150 0.000 0.622 287 A CB -0.403 18.481 19.000 -0.194 0.000 0.824 287 A HN 0.474 nan 8.150 nan 0.000 0.444 288 K N -0.312 120.071 120.400 -0.029 0.000 2.147 288 K HA -0.159 4.133 4.320 -0.048 0.000 0.205 288 K C 2.194 178.807 176.600 0.021 0.000 1.049 288 K CA 1.598 57.892 56.287 0.012 0.000 0.936 288 K CB -0.143 32.364 32.500 0.012 0.000 0.722 288 K HN 0.406 nan 8.250 nan 0.000 0.446 289 R N 0.960 121.463 120.500 0.005 0.000 2.161 289 R HA 0.018 4.329 4.340 -0.048 0.000 0.213 289 R C 0.621 176.936 176.300 0.026 0.000 1.055 289 R CA 0.441 56.551 56.100 0.015 0.000 0.996 289 R CB 0.137 30.440 30.300 0.005 0.000 0.901 289 R HN -0.030 nan 8.270 nan 0.000 0.456 290 K N 0.488 120.898 120.400 0.016 0.000 2.187 290 K HA 0.001 4.292 4.320 -0.048 0.000 0.247 290 K C -0.419 176.212 176.600 0.051 0.000 1.019 290 K CA 0.620 56.924 56.287 0.028 0.000 0.893 290 K CB 0.675 33.183 32.500 0.013 0.000 1.025 290 K HN 0.174 nan 8.250 nan 0.000 0.500 291 T N -1.809 112.782 114.554 0.061 0.000 2.742 291 T HA 0.254 4.575 4.350 -0.048 0.000 0.282 291 T C 0.695 175.443 174.700 0.080 0.000 1.025 291 T CA -0.901 61.246 62.100 0.078 0.000 1.020 291 T CB 1.060 69.979 68.868 0.085 0.000 1.317 291 T HN 0.498 nan 8.240 nan 0.000 0.538 292 E N 0.313 120.568 120.200 0.091 0.000 2.047 292 E HA 0.006 4.327 4.350 -0.048 0.000 0.191 292 E C 2.073 178.722 176.600 0.082 0.000 0.987 292 E CA 1.111 57.565 56.400 0.090 0.000 0.799 292 E CB -0.422 29.338 29.700 0.101 0.000 0.752 292 E HN 0.655 nan 8.360 nan 0.000 0.449 293 I N 1.173 121.791 120.570 0.080 0.000 2.493 293 I HA -0.216 3.925 4.170 -0.048 0.000 0.254 293 I C 2.097 178.253 176.117 0.065 0.000 1.160 293 I CA 1.020 62.363 61.300 0.072 0.000 1.445 293 I CB -0.265 37.778 38.000 0.071 0.000 1.086 293 I HN 0.080 nan 8.210 nan 0.000 0.433 294 E N 0.785 121.024 120.200 0.065 0.000 2.060 294 E HA -0.093 4.229 4.350 -0.048 0.000 0.189 294 E C 2.318 178.956 176.600 0.064 0.000 0.974 294 E CA 0.539 56.975 56.400 0.060 0.000 0.808 294 E CB -0.013 29.721 29.700 0.056 0.000 0.768 294 E HN 0.416 nan 8.360 nan 0.000 0.453 295 R N 0.867 121.408 120.500 0.069 0.000 2.083 295 R HA -0.117 4.194 4.340 -0.048 0.000 0.237 295 R C 2.203 178.549 176.300 0.076 0.000 1.137 295 R CA 1.128 57.274 56.100 0.077 0.000 0.951 295 R CB -0.140 30.209 30.300 0.082 0.000 0.851 295 R HN 0.139 nan 8.270 nan 0.000 0.434 296 Q N -0.193 119.650 119.800 0.071 0.000 2.500 296 Q HA 0.001 4.313 4.340 -0.048 0.000 0.213 296 Q C 1.611 177.647 176.000 0.060 0.000 0.974 296 Q CA 1.009 56.852 55.803 0.066 0.000 0.918 296 Q CB 0.233 29.009 28.738 0.064 0.000 0.980 296 Q HN 0.358 nan 8.270 nan 0.000 0.505 297 A N 0.615 123.471 122.820 0.060 0.000 2.030 297 A HA -0.051 4.241 4.320 -0.048 0.000 0.215 297 A C 1.789 179.407 177.584 0.057 0.000 1.164 297 A CA 0.394 52.464 52.037 0.055 0.000 0.697 297 A CB 0.102 19.133 19.000 0.053 0.000 0.827 297 A HN 0.282 nan 8.150 nan 0.000 0.457 298 E N -0.696 119.544 120.200 0.066 0.000 2.299 298 E HA 0.307 4.628 4.350 -0.048 0.000 0.193 298 E C 1.290 177.932 176.600 0.070 0.000 0.998 298 E CA 0.273 56.716 56.400 0.072 0.000 0.851 298 E CB -0.055 29.699 29.700 0.089 0.000 0.795 298 E HN 0.649 nan 8.360 nan 0.000 0.492 299 G N 2.111 110.952 108.800 0.068 0.000 2.481 299 G HA2 -0.344 3.588 3.960 -0.048 0.000 0.230 299 G HA3 -0.344 3.588 3.960 -0.048 0.000 0.230 299 G C 0.220 175.163 174.900 0.071 0.000 1.210 299 G CA -0.025 45.112 45.100 0.062 0.000 0.936 299 G HN 0.307 nan 8.290 nan 0.000 0.583 300 R N 0.424 120.962 120.500 0.063 0.000 2.466 300 R HA 0.401 4.713 4.340 -0.048 0.000 0.279 300 R C -0.079 176.270 176.300 0.081 0.000 0.976 300 R CA -0.111 56.029 56.100 0.065 0.000 1.081 300 R CB 0.308 30.633 30.300 0.042 0.000 1.215 300 R HN 0.338 nan 8.270 nan 0.000 0.546 301 E N 2.434 122.691 120.200 0.095 0.000 2.292 301 E HA 0.022 4.343 4.350 -0.048 0.000 0.265 301 E C -0.660 176.050 176.600 0.183 0.000 1.093 301 E CA 0.269 56.736 56.400 0.112 0.000 0.922 301 E CB 0.779 30.540 29.700 0.102 0.000 1.001 301 E HN 0.047 nan 8.360 nan 0.000 0.444 302 K N 1.626 122.152 120.400 0.210 0.000 2.401 302 K HA 0.177 4.468 4.320 -0.048 0.000 0.278 302 K C -0.341 176.573 176.600 0.523 0.000 1.018 302 K CA 0.337 56.855 56.287 0.385 0.000 0.981 302 K CB 0.773 33.533 32.500 0.433 0.000 0.933 302 K HN 0.228 nan 8.250 nan 0.000 0.477 303 T N 1.058 115.995 114.554 0.640 0.000 3.237 303 T HA 0.660 4.982 4.350 -0.048 0.000 0.319 303 T C -0.530 174.500 174.700 0.550 0.000 1.037 303 T CA -0.862 61.623 62.100 0.642 0.000 1.048 303 T CB 1.652 70.835 68.868 0.524 0.000 1.081 303 T HN 0.648 nan 8.240 nan 0.000 0.455 304 G N 1.003 109.893 108.800 0.150 0.000 2.749 304 G HA2 0.778 4.710 3.960 -0.048 0.000 0.300 304 G HA3 0.778 4.710 3.960 -0.048 0.000 0.300 304 G C -1.864 172.828 174.900 -0.346 0.000 1.352 304 G CA -0.629 44.428 45.100 -0.072 0.000 0.789 304 G HN 0.719 nan 8.290 nan 0.000 0.509 305 V N -0.034 119.748 119.914 -0.220 0.000 2.971 305 V HA 0.522 4.614 4.120 -0.048 0.000 0.309 305 V C -1.413 174.426 176.094 -0.425 0.000 1.130 305 V CA -0.759 61.344 62.300 -0.328 0.000 0.964 305 V CB 2.137 33.674 31.823 -0.477 0.000 1.029 305 V HN 0.750 nan 8.190 nan 0.000 0.427 306 F N 3.295 122.533 119.950 -1.188 0.000 2.420 306 F HA 0.464 4.962 4.527 -0.048 0.000 0.352 306 F C 0.889 176.266 175.800 -0.705 0.000 1.108 306 F CA -0.863 56.213 58.000 -1.539 0.000 1.162 306 F CB 0.844 38.799 39.000 -1.742 0.000 1.118 306 F HN 0.407 nan 8.300 nan 0.000 0.510 307 L N 5.366 126.068 121.223 -0.867 0.000 2.465 307 L HA 0.072 4.384 4.340 -0.048 0.000 0.224 307 L C 1.624 177.905 176.870 -0.981 0.000 1.145 307 L CA 0.827 55.236 54.840 -0.717 0.000 0.834 307 L CB -0.949 40.886 42.059 -0.374 0.000 0.944 307 L HN 1.047 nan 8.230 nan 0.000 0.451 308 G N 0.472 108.019 108.800 -2.088 0.000 2.221 308 G HA2 -0.194 3.737 3.960 -0.048 0.000 0.265 308 G HA3 -0.194 3.737 3.960 -0.048 0.000 0.265 308 G C 0.110 174.730 174.900 -0.466 0.000 1.041 308 G CA 0.312 44.642 45.100 -1.284 0.000 0.807 308 G HN 0.591 nan 8.290 nan 0.000 0.502 309 A N -1.249 121.371 122.820 -0.333 0.000 2.527 309 A HA 0.942 5.234 4.320 -0.048 0.000 0.293 309 A C -0.951 176.841 177.584 0.348 0.000 1.117 309 A CA -0.853 51.248 52.037 0.107 0.000 0.723 309 A CB 1.455 20.444 19.000 -0.017 0.000 1.313 309 A HN 0.743 nan 8.150 nan 0.000 0.411 310 Y N -0.979 119.388 120.300 0.112 0.000 2.633 310 Y HA 0.803 5.324 4.550 -0.047 0.000 0.339 310 Y C 0.562 176.540 175.900 0.130 0.000 1.045 310 Y CA -0.393 57.806 58.100 0.165 0.000 1.098 310 Y CB 2.128 40.676 38.460 0.147 0.000 1.296 310 Y HN 1.065 nan 8.280 nan 0.000 0.494 311 A N 0.898 123.900 122.820 0.303 0.000 2.530 311 A HA 0.833 5.124 4.320 -0.048 0.000 0.288 311 A C -2.165 175.564 177.584 0.242 0.000 1.172 311 A CA -0.716 51.469 52.037 0.248 0.000 0.733 311 A CB 1.455 20.612 19.000 0.262 0.000 1.320 311 A HN 0.519 nan 8.150 nan 0.000 0.419 312 L N 2.348 123.685 121.223 0.189 0.000 2.298 312 L HA 0.326 4.638 4.340 -0.048 0.000 0.284 312 L C -0.055 176.813 176.870 -0.003 0.000 1.013 312 L CA -0.445 54.456 54.840 0.100 0.000 0.824 312 L CB 0.998 43.084 42.059 0.045 0.000 1.221 312 L HN 0.836 nan 8.230 nan 0.000 0.418 313 N N 6.949 125.644 118.700 -0.007 0.000 2.423 313 N HA 0.037 4.748 4.740 -0.048 0.000 0.275 313 N C -1.550 173.767 175.510 -0.322 0.000 1.283 313 N CA -0.935 51.991 53.050 -0.207 0.000 0.932 313 N CB 1.243 39.694 38.487 -0.060 0.000 1.185 313 N HN 0.350 nan 8.380 nan 0.000 0.483 314 P HA -0.062 nan 4.420 nan 0.000 0.236 314 P C 0.319 177.519 177.300 -0.166 0.000 1.172 314 P CA 0.543 63.457 63.100 -0.309 0.000 0.759 314 P CB 0.344 31.818 31.700 -0.376 0.000 0.843 315 A N 0.752 123.369 122.820 -0.338 0.000 1.941 315 A HA 0.024 4.315 4.320 -0.048 0.000 0.214 315 A C 2.243 179.584 177.584 -0.406 0.000 1.368 315 A CA 1.625 53.300 52.037 -0.603 0.000 0.651 315 A CB -1.278 16.869 19.000 -1.422 0.000 1.064 315 A HN 0.276 nan 8.150 nan 0.000 0.492 316 T N -4.054 110.308 114.554 -0.320 0.000 2.985 316 T HA 0.360 4.682 4.350 -0.048 0.000 0.266 316 T C 1.589 176.297 174.700 0.014 0.000 1.076 316 T CA 1.457 63.541 62.100 -0.026 0.000 1.135 316 T CB 0.084 68.975 68.868 0.038 0.000 0.890 316 T HN 1.832 nan 8.240 nan 0.000 0.480 317 G N 1.879 110.661 108.800 -0.029 0.000 2.234 317 G HA2 -0.263 3.668 3.960 -0.048 0.000 0.235 317 G HA3 -0.263 3.668 3.960 -0.048 0.000 0.235 317 G C 0.055 174.970 174.900 0.025 0.000 0.997 317 G CA 0.187 45.288 45.100 0.002 0.000 0.623 317 G HN 0.965 nan 8.290 nan 0.000 0.514 318 E N 0.619 120.844 120.200 0.042 0.000 2.435 318 E HA 0.585 4.907 4.350 -0.048 0.000 0.254 318 E C 0.252 176.916 176.600 0.106 0.000 1.289 318 E CA -0.544 55.900 56.400 0.074 0.000 0.983 318 E CB 0.582 30.332 29.700 0.084 0.000 1.010 318 E HN 0.469 nan 8.360 nan 0.000 0.509 319 R N 0.339 120.929 120.500 0.150 0.000 2.486 319 R HA 0.535 4.846 4.340 -0.048 0.000 0.286 319 R C -0.299 176.149 176.300 0.247 0.000 0.999 319 R CA -0.494 55.747 56.100 0.234 0.000 0.993 319 R CB 0.856 31.344 30.300 0.313 0.000 1.084 319 R HN 0.573 nan 8.270 nan 0.000 0.487 320 I N -1.263 119.456 120.570 0.247 0.000 2.571 320 I HA 0.509 4.651 4.170 -0.048 0.000 0.289 320 I C -2.649 173.515 176.117 0.079 0.000 1.115 320 I CA -2.983 58.422 61.300 0.175 0.000 1.045 320 I CB 2.506 40.637 38.000 0.217 0.000 1.238 320 I HN 0.399 nan 8.210 nan 0.000 0.424 321 P HA 0.173 nan 4.420 nan 0.000 0.269 321 P C -0.701 176.752 177.300 0.254 0.000 1.211 321 P CA 0.278 63.267 63.100 -0.185 0.000 0.781 321 P CB 1.183 32.620 31.700 -0.440 0.000 0.877 322 I N 1.447 122.241 120.570 0.372 0.000 2.382 322 I HA 0.308 4.449 4.170 -0.048 0.000 0.286 322 I C -0.083 176.276 176.117 0.403 0.000 1.002 322 I CA -0.498 60.996 61.300 0.324 0.000 1.135 322 I CB 0.823 38.895 38.000 0.120 0.000 1.288 322 I HN 0.319 nan 8.210 nan 0.000 0.448 323 W N 3.472 124.849 121.300 0.128 0.000 2.758 323 W HA 0.616 5.247 4.660 -0.048 0.000 0.355 323 W C 0.266 176.755 176.519 -0.051 0.000 1.223 323 W CA -0.738 56.658 57.345 0.085 0.000 1.182 323 W CB 1.138 30.662 29.460 0.105 0.000 1.464 323 W HN 0.162 nan 8.180 nan 0.000 0.630 324 T N 0.811 115.480 114.554 0.193 0.000 3.050 324 T HA 0.718 5.039 4.350 -0.048 0.000 0.310 324 T C -1.200 173.547 174.700 0.078 0.000 0.978 324 T CA -0.333 61.800 62.100 0.055 0.000 1.013 324 T CB -0.133 68.745 68.868 0.017 0.000 1.000 324 T HN 0.589 nan 8.240 nan 0.000 0.447 325 A N 3.408 126.237 122.820 0.014 0.000 2.386 325 A HA 0.698 4.989 4.320 -0.048 0.000 0.308 325 A C 0.693 178.352 177.584 0.124 0.000 1.128 325 A CA -0.634 51.469 52.037 0.109 0.000 0.789 325 A CB 1.266 20.206 19.000 -0.099 0.000 1.325 325 A HN 0.851 nan 8.150 nan 0.000 0.437 326 D N -0.984 119.582 120.400 0.277 0.000 2.348 326 D HA -0.123 4.488 4.640 -0.048 0.000 0.211 326 D C 0.912 177.318 176.300 0.177 0.000 0.998 326 D CA 1.234 55.347 54.000 0.188 0.000 0.873 326 D CB -0.467 40.436 40.800 0.172 0.000 0.925 326 D HN 0.637 nan 8.370 nan 0.000 0.524 327 Y N 0.321 120.698 120.300 0.128 0.000 2.632 327 Y HA 0.303 4.824 4.550 -0.048 0.000 0.301 327 Y C -0.118 175.820 175.900 0.062 0.000 1.172 327 Y CA -0.545 57.610 58.100 0.092 0.000 1.328 327 Y CB -0.328 38.189 38.460 0.095 0.000 1.016 327 Y HN -0.184 nan 8.280 nan 0.000 0.529 328 V N 3.451 123.255 119.914 -0.183 0.000 2.459 328 V HA 0.294 4.386 4.120 -0.048 0.000 0.295 328 V C -0.153 175.965 176.094 0.039 0.000 1.029 328 V CA -1.184 61.032 62.300 -0.140 0.000 0.874 328 V CB 1.675 33.303 31.823 -0.325 0.000 0.985 328 V HN 0.175 nan 8.190 nan 0.000 0.438 329 L N 4.212 125.504 121.223 0.115 0.000 2.307 329 L HA 0.410 4.722 4.340 -0.048 0.000 0.282 329 L C 0.850 177.849 176.870 0.215 0.000 1.051 329 L CA -0.404 54.530 54.840 0.157 0.000 0.804 329 L CB 0.876 43.016 42.059 0.135 0.000 1.197 329 L HN 0.638 nan 8.230 nan 0.000 0.431 330 F N 2.389 122.372 119.950 0.055 0.000 2.293 330 F HA 0.100 4.598 4.527 -0.048 0.000 0.297 330 F C 1.900 177.709 175.800 0.016 0.000 1.089 330 F CA 0.762 58.776 58.000 0.022 0.000 1.377 330 F CB -0.136 38.868 39.000 0.006 0.000 1.051 330 F HN 0.522 nan 8.300 nan 0.000 0.511 331 G N -0.936 107.781 108.800 -0.139 0.000 3.186 331 G HA2 -0.078 3.853 3.960 -0.048 0.000 0.214 331 G HA3 -0.078 3.853 3.960 -0.048 0.000 0.214 331 G C -0.701 174.151 174.900 -0.079 0.000 1.222 331 G CA 0.248 45.213 45.100 -0.225 0.000 0.921 331 G HN 0.443 nan 8.290 nan 0.000 0.504 332 Y N -1.112 119.067 120.300 -0.201 0.000 2.441 332 Y HA 0.440 4.962 4.550 -0.048 0.000 0.334 332 Y C 0.980 176.796 175.900 -0.141 0.000 1.061 332 Y CA -0.007 57.997 58.100 -0.160 0.000 1.032 332 Y CB 1.315 39.714 38.460 -0.102 0.000 1.266 332 Y HN 0.439 nan 8.280 nan 0.000 0.441 333 G N 3.159 111.307 108.800 -1.087 0.000 2.846 333 G HA2 -0.427 3.505 3.960 -0.048 0.000 0.317 333 G HA3 -0.427 3.505 3.960 -0.048 0.000 0.317 333 G C 0.792 175.468 174.900 -0.373 0.000 1.210 333 G CA 1.498 46.087 45.100 -0.852 0.000 0.972 333 G HN 1.519 nan 8.290 nan 0.000 0.567 334 T N -2.459 111.996 114.554 -0.165 0.000 3.087 334 T HA 0.523 4.844 4.350 -0.048 0.000 0.283 334 T C 2.414 177.185 174.700 0.118 0.000 0.956 334 T CA 1.532 63.619 62.100 -0.022 0.000 0.894 334 T CB 0.763 69.657 68.868 0.043 0.000 1.160 334 T HN 2.683 nan 8.240 nan 0.000 0.532 335 G N 1.263 110.139 108.800 0.128 0.000 2.168 335 G HA2 0.063 3.995 3.960 -0.048 0.000 0.263 335 G HA3 0.063 3.995 3.960 -0.048 0.000 0.263 335 G C 0.234 175.298 174.900 0.275 0.000 0.977 335 G CA -0.017 45.275 45.100 0.319 0.000 0.659 335 G HN 1.447 nan 8.290 nan 0.000 0.533 336 A N -0.570 122.345 122.820 0.160 0.000 2.498 336 A HA 0.964 5.256 4.320 -0.048 0.000 0.298 336 A C -0.300 177.260 177.584 -0.040 0.000 1.075 336 A CA -0.275 51.789 52.037 0.045 0.000 0.714 336 A CB 1.585 20.613 19.000 0.047 0.000 1.299 336 A HN 1.760 nan 8.150 nan 0.000 0.407 337 I N -1.552 118.930 120.570 -0.147 0.000 2.994 337 I HA 0.691 4.832 4.170 -0.048 0.000 0.306 337 I C -0.656 175.258 176.117 -0.338 0.000 1.195 337 I CA -1.346 59.842 61.300 -0.187 0.000 1.001 337 I CB 2.383 40.301 38.000 -0.136 0.000 1.244 337 I HN 0.718 nan 8.210 nan 0.000 0.437 338 M N 2.966 122.355 119.600 -0.352 0.000 2.152 338 M HA 0.755 5.206 4.480 -0.048 0.000 0.354 338 M C -0.105 175.976 176.300 -0.365 0.000 1.173 338 M CA -0.409 54.623 55.300 -0.448 0.000 1.110 338 M CB 1.032 33.420 32.600 -0.354 0.000 1.366 338 M HN 0.676 nan 8.290 nan 0.000 0.415 339 A N 2.916 125.388 122.820 -0.581 0.000 2.546 339 A HA 0.423 4.714 4.320 -0.048 0.000 0.243 339 A C 0.277 177.562 177.584 -0.498 0.000 1.063 339 A CA -0.263 51.328 52.037 -0.744 0.000 0.757 339 A CB 0.052 17.902 19.000 -1.917 0.000 0.991 339 A HN 0.830 nan 8.150 nan 0.000 0.503 340 V N 5.420 125.182 119.914 -0.253 0.000 2.468 340 V HA 0.146 4.238 4.120 -0.048 0.000 0.256 340 V C -1.860 174.195 176.094 -0.066 0.000 0.998 340 V CA -0.591 61.644 62.300 -0.107 0.000 1.114 340 V CB 0.802 32.622 31.823 -0.006 0.000 1.378 340 V HN 0.752 nan 8.190 nan 0.000 0.573 341 P HA -0.310 nan 4.420 nan 0.000 0.221 341 P C 1.687 179.028 177.300 0.069 0.000 1.153 341 P CA 2.236 65.370 63.100 0.056 0.000 0.858 341 P CB 0.300 32.029 31.700 0.050 0.000 0.783 342 A N -1.693 121.050 122.820 -0.128 0.000 2.067 342 A HA -0.145 4.147 4.320 -0.048 0.000 0.219 342 A C 0.922 178.168 177.584 -0.563 0.000 1.158 342 A CA 1.292 53.108 52.037 -0.369 0.000 0.661 342 A CB -0.809 17.792 19.000 -0.664 0.000 0.801 342 A HN 0.286 nan 8.150 nan 0.000 0.452 343 H N -1.084 118.058 119.070 0.120 0.000 2.779 343 H HA 0.324 4.852 4.556 -0.048 0.000 0.230 343 H C -1.378 173.965 175.328 0.026 0.000 1.365 343 H CA -0.315 55.772 56.048 0.065 0.000 1.086 343 H CB 0.207 29.987 29.762 0.031 0.000 2.038 343 H HN 0.399 nan 8.280 nan 0.000 0.558 344 D N 1.222 121.686 120.400 0.106 0.000 2.229 344 D HA -0.046 4.566 4.640 -0.048 0.000 0.209 344 D C 1.025 177.378 176.300 0.089 0.000 1.295 344 D CA -0.129 53.912 54.000 0.069 0.000 0.913 344 D CB 1.061 41.890 40.800 0.048 0.000 1.581 344 D HN 0.017 nan 8.370 nan 0.000 0.502 345 Q N 2.953 122.785 119.800 0.053 0.000 2.065 345 Q HA -0.252 4.059 4.340 -0.048 0.000 0.213 345 Q C 1.737 177.794 176.000 0.094 0.000 1.012 345 Q CA 2.492 58.326 55.803 0.053 0.000 0.876 345 Q CB 0.096 28.825 28.738 -0.015 0.000 0.954 345 Q HN 0.579 nan 8.270 nan 0.000 0.413 346 R N 0.012 120.517 120.500 0.008 0.000 2.154 346 R HA -0.209 4.103 4.340 -0.048 0.000 0.236 346 R C 2.023 178.282 176.300 -0.069 0.000 1.121 346 R CA 1.726 57.763 56.100 -0.104 0.000 0.915 346 R CB -0.869 29.324 30.300 -0.178 0.000 0.856 346 R HN 0.406 nan 8.270 nan 0.000 0.431 347 D N -0.103 120.300 120.400 0.004 0.000 2.103 347 D HA -0.220 4.392 4.640 -0.048 0.000 0.190 347 D C 1.743 178.182 176.300 0.232 0.000 0.997 347 D CA 1.367 55.438 54.000 0.118 0.000 0.833 347 D CB -0.770 40.046 40.800 0.028 0.000 0.961 347 D HN 0.226 nan 8.370 nan 0.000 0.447 348 Y N 1.999 122.342 120.300 0.072 0.000 2.002 348 Y HA -0.324 4.197 4.550 -0.048 0.000 0.268 348 Y C 2.191 178.136 175.900 0.075 0.000 1.177 348 Y CA 2.354 60.493 58.100 0.066 0.000 1.111 348 Y CB -0.453 38.021 38.460 0.022 0.000 0.952 348 Y HN 0.047 nan 8.280 nan 0.000 0.491 349 E N -0.852 119.588 120.200 0.401 0.000 2.070 349 E HA -0.291 4.031 4.350 -0.048 0.000 0.197 349 E C 2.114 178.780 176.600 0.111 0.000 1.004 349 E CA 1.601 58.150 56.400 0.248 0.000 0.805 349 E CB -0.666 29.138 29.700 0.173 0.000 0.744 349 E HN 0.587 nan 8.360 nan 0.000 0.451 350 F N 1.279 121.247 119.950 0.030 0.000 2.202 350 F HA -0.213 4.285 4.527 -0.048 0.000 0.301 350 F C 2.162 177.989 175.800 0.043 0.000 1.082 350 F CA 1.336 59.399 58.000 0.106 0.000 1.313 350 F CB -0.096 39.004 39.000 0.166 0.000 1.024 350 F HN -0.044 nan 8.300 nan 0.000 0.495 351 A N 0.429 123.312 122.820 0.105 0.000 1.854 351 A HA -0.129 4.163 4.320 -0.048 0.000 0.214 351 A C 2.360 179.768 177.584 -0.293 0.000 1.192 351 A CA 1.191 53.149 52.037 -0.132 0.000 0.611 351 A CB -0.745 18.236 19.000 -0.033 0.000 0.832 351 A HN 0.308 nan 8.150 nan 0.000 0.442 352 R N -0.295 120.008 120.500 -0.328 0.000 2.193 352 R HA -0.114 4.197 4.340 -0.048 0.000 0.229 352 R C 2.100 178.238 176.300 -0.270 0.000 1.110 352 R CA 1.595 57.517 56.100 -0.297 0.000 0.988 352 R CB -0.187 29.957 30.300 -0.260 0.000 0.871 352 R HN 0.644 nan 8.270 nan 0.000 0.458 353 K N -0.652 119.548 120.400 -0.334 0.000 2.067 353 K HA -0.037 4.254 4.320 -0.048 0.000 0.203 353 K C 0.425 176.597 176.600 -0.714 0.000 1.048 353 K CA 0.873 56.852 56.287 -0.513 0.000 0.954 353 K CB 0.139 32.267 32.500 -0.620 0.000 0.737 353 K HN -0.027 nan 8.250 nan 0.000 0.444 354 F N 1.397 121.021 119.950 -0.543 0.000 2.974 354 F HA 0.290 4.788 4.527 -0.048 0.000 0.292 354 F C 0.788 176.338 175.800 -0.417 0.000 1.209 354 F CA -0.067 57.626 58.000 -0.512 0.000 1.366 354 F CB 0.449 38.880 39.000 -0.948 0.000 1.033 354 F HN 0.226 nan 8.300 nan 0.000 0.516 355 G N 1.542 110.206 108.800 -0.226 0.000 2.450 355 G HA2 -0.303 3.628 3.960 -0.048 0.000 0.302 355 G HA3 -0.303 3.628 3.960 -0.048 0.000 0.302 355 G C 0.073 174.849 174.900 -0.206 0.000 0.957 355 G CA 0.122 45.116 45.100 -0.177 0.000 1.005 355 G HN 0.432 nan 8.290 nan 0.000 0.514 356 L N -0.538 120.496 121.223 -0.315 0.000 2.360 356 L HA 0.493 4.804 4.340 -0.048 0.000 0.271 356 L C -1.777 174.978 176.870 -0.192 0.000 1.057 356 L CA -2.431 52.196 54.840 -0.355 0.000 0.803 356 L CB 1.427 43.023 42.059 -0.771 0.000 1.207 356 L HN -0.081 nan 8.230 nan 0.000 0.445 357 P HA 0.296 nan 4.420 nan 0.000 0.275 357 P C -1.028 176.283 177.300 0.018 0.000 1.228 357 P CA -0.016 63.068 63.100 -0.026 0.000 0.786 357 P CB 0.644 32.352 31.700 0.012 0.000 0.927 358 I N 2.236 122.798 120.570 -0.013 0.000 2.410 358 I HA 0.358 4.499 4.170 -0.048 0.000 0.286 358 I C 0.297 176.417 176.117 0.006 0.000 1.009 358 I CA -0.644 60.647 61.300 -0.015 0.000 1.111 358 I CB 1.452 39.407 38.000 -0.075 0.000 1.262 358 I HN 0.147 nan 8.210 nan 0.000 0.443 359 K N 6.788 127.198 120.400 0.017 0.000 2.274 359 K HA 0.392 4.683 4.320 -0.048 0.000 0.262 359 K C -0.607 176.010 176.600 0.028 0.000 0.961 359 K CA -0.793 55.517 56.287 0.039 0.000 0.833 359 K CB 1.542 34.088 32.500 0.076 0.000 1.102 359 K HN 0.467 nan 8.250 nan 0.000 0.436 360 K N 3.318 123.755 120.400 0.062 0.000 2.234 360 K HA 0.159 4.450 4.320 -0.048 0.000 0.282 360 K C 0.198 176.927 176.600 0.214 0.000 1.039 360 K CA -0.339 56.026 56.287 0.129 0.000 0.928 360 K CB 0.915 33.486 32.500 0.118 0.000 1.039 360 K HN 0.479 nan 8.250 nan 0.000 0.470 361 V N 1.876 122.034 119.914 0.407 0.000 3.392 361 V HA 0.365 4.456 4.120 -0.048 0.000 0.294 361 V C -0.330 175.837 176.094 0.121 0.000 1.561 361 V CA -0.527 61.918 62.300 0.242 0.000 1.056 361 V CB 0.480 32.445 31.823 0.237 0.000 0.882 361 V HN 0.513 nan 8.190 nan 0.000 0.440 362 I N 2.105 122.735 120.570 0.100 0.000 2.476 362 I HA 0.601 4.743 4.170 -0.048 0.000 0.281 362 I C -0.397 175.780 176.117 0.101 0.000 1.040 362 I CA -0.249 61.006 61.300 -0.076 0.000 1.094 362 I CB 1.531 39.240 38.000 -0.485 0.000 1.219 362 I HN 0.249 nan 8.210 nan 0.000 0.450 363 E N 5.620 125.857 120.200 0.061 0.000 2.313 363 E HA 0.292 4.614 4.350 -0.048 0.000 0.272 363 E C -0.064 176.546 176.600 0.016 0.000 1.038 363 E CA -0.471 55.941 56.400 0.019 0.000 0.863 363 E CB 1.127 30.826 29.700 -0.002 0.000 1.060 363 E HN 0.415 nan 8.360 nan 0.000 0.402 364 R N 4.382 124.787 120.500 -0.158 0.000 2.389 364 R HA 0.261 4.572 4.340 -0.048 0.000 0.295 364 R C -2.121 174.150 176.300 -0.047 0.000 1.075 364 R CA -1.668 54.332 56.100 -0.166 0.000 1.005 364 R CB 0.402 30.394 30.300 -0.513 0.000 0.987 364 R HN 0.390 nan 8.270 nan 0.000 0.452 365 P HA 0.031 nan 4.420 nan 0.000 0.262 365 P C 0.273 177.569 177.300 -0.005 0.000 1.199 365 P CA 1.037 64.145 63.100 0.013 0.000 0.763 365 P CB 1.070 32.789 31.700 0.032 0.000 0.790 366 G N 3.508 112.300 108.800 -0.013 0.000 3.487 366 G HA2 -0.269 3.662 3.960 -0.048 0.000 0.295 366 G HA3 -0.269 3.662 3.960 -0.048 0.000 0.295 366 G C 0.101 174.984 174.900 -0.029 0.000 1.454 366 G CA -0.382 44.708 45.100 -0.017 0.000 1.039 366 G HN 0.539 nan 8.290 nan 0.000 0.624 367 E N 3.819 123.999 120.200 -0.033 0.000 2.406 367 E HA 0.300 4.621 4.350 -0.048 0.000 0.247 367 E C -1.817 174.739 176.600 -0.073 0.000 1.160 367 E CA -0.934 55.439 56.400 -0.045 0.000 0.950 367 E CB 0.305 29.979 29.700 -0.042 0.000 0.993 367 E HN 0.189 nan 8.360 nan 0.000 0.472 368 P HA -0.041 nan 4.420 nan 0.000 0.269 368 P C -0.202 177.037 177.300 -0.103 0.000 1.211 368 P CA 0.152 63.208 63.100 -0.074 0.000 0.781 368 P CB 0.508 32.179 31.700 -0.047 0.000 0.877 369 L N 3.843 124.995 121.223 -0.117 0.000 2.290 369 L HA 0.276 4.588 4.340 -0.048 0.000 0.284 369 L C -1.575 175.254 176.870 -0.068 0.000 1.078 369 L CA -1.920 52.841 54.840 -0.132 0.000 0.815 369 L CB 0.492 42.457 42.059 -0.156 0.000 1.162 369 L HN 0.292 nan 8.230 nan 0.000 0.435 370 P HA -0.021 nan 4.420 nan 0.000 0.260 370 P C -0.740 176.553 177.300 -0.011 0.000 1.207 370 P CA -0.041 63.041 63.100 -0.029 0.000 0.780 370 P CB 0.716 32.400 31.700 -0.027 0.000 0.789 371 E N 5.383 125.579 120.200 -0.006 0.000 2.174 371 E HA 0.363 4.684 4.350 -0.048 0.000 0.282 371 E C -1.755 174.849 176.600 0.007 0.000 0.992 371 E CA -2.104 54.299 56.400 0.005 0.000 0.803 371 E CB 0.349 30.051 29.700 0.004 0.000 1.090 371 E HN 0.393 nan 8.360 nan 0.000 0.396 372 P HA 0.241 nan 4.420 nan 0.000 0.279 372 P C -0.896 176.430 177.300 0.043 0.000 1.252 372 P CA -0.672 62.444 63.100 0.027 0.000 0.811 372 P CB 0.795 32.509 31.700 0.024 0.000 1.035 373 L N 1.494 122.759 121.223 0.070 0.000 2.456 373 L HA 0.063 4.374 4.340 -0.048 0.000 0.272 373 L C 1.404 178.375 176.870 0.167 0.000 1.189 373 L CA 1.054 55.958 54.840 0.106 0.000 0.846 373 L CB -0.104 42.048 42.059 0.156 0.000 1.111 373 L HN 0.488 nan 8.230 nan 0.000 0.475 374 E N 3.195 123.455 120.200 0.100 0.000 2.714 374 E HA 0.210 4.532 4.350 -0.048 0.000 0.219 374 E C -0.664 175.863 176.600 -0.122 0.000 0.979 374 E CA -0.149 56.314 56.400 0.105 0.000 1.092 374 E CB 0.628 30.357 29.700 0.049 0.000 1.049 374 E HN 0.549 nan 8.360 nan 0.000 0.487 375 R N -0.795 119.496 120.500 -0.349 0.000 2.728 375 R HA 0.612 4.923 4.340 -0.048 0.000 0.259 375 R C -0.974 175.042 176.300 -0.474 0.000 1.057 375 R CA -0.723 54.988 56.100 -0.648 0.000 0.908 375 R CB 0.460 30.594 30.300 -0.277 0.000 1.259 375 R HN -0.031 nan 8.270 nan 0.000 0.472 376 A N 1.716 124.235 122.820 -0.502 0.000 2.364 376 A HA 0.267 4.559 4.320 -0.048 0.000 0.258 376 A C -1.060 176.593 177.584 0.114 0.000 1.131 376 A CA 0.201 52.193 52.037 -0.075 0.000 0.800 376 A CB 0.092 19.085 19.000 -0.011 0.000 1.086 376 A HN 0.724 nan 8.150 nan 0.000 0.508 377 Y N -0.439 119.911 120.300 0.083 0.000 2.475 377 Y HA 0.401 4.923 4.550 -0.048 0.000 0.343 377 Y C 0.224 176.206 175.900 0.137 0.000 1.068 377 Y CA -0.536 57.630 58.100 0.110 0.000 1.307 377 Y CB 0.927 39.483 38.460 0.160 0.000 1.097 377 Y HN 0.813 nan 8.280 nan 0.000 0.530 378 E N 2.166 122.230 120.200 -0.227 0.000 2.479 378 E HA 0.035 4.356 4.350 -0.048 0.000 0.193 378 E C -0.275 176.074 176.600 -0.419 0.000 1.049 378 E CA 0.165 56.417 56.400 -0.245 0.000 0.870 378 E CB 0.555 30.190 29.700 -0.109 0.000 0.944 378 E HN 0.604 nan 8.360 nan 0.000 0.492 379 E N 1.269 121.009 120.200 -0.768 0.000 2.349 379 E HA 0.169 4.490 4.350 -0.048 0.000 0.262 379 E C -2.399 173.868 176.600 -0.554 0.000 1.088 379 E CA -2.036 54.023 56.400 -0.569 0.000 0.899 379 E CB 0.285 29.749 29.700 -0.394 0.000 1.044 379 E HN -0.112 nan 8.360 nan 0.000 0.420 380 P HA 0.225 nan 4.420 nan 0.000 0.269 380 P C -0.418 176.864 177.300 -0.031 0.000 1.209 380 P CA 0.085 63.100 63.100 -0.141 0.000 0.776 380 P CB 0.968 32.619 31.700 -0.083 0.000 0.876 381 G N 1.214 110.015 108.800 0.001 0.000 2.664 381 G HA2 0.516 4.447 3.960 -0.048 0.000 0.303 381 G HA3 0.516 4.447 3.960 -0.048 0.000 0.303 381 G C -1.596 173.316 174.900 0.019 0.000 1.243 381 G CA -0.505 44.643 45.100 0.080 0.000 0.826 381 G HN 0.323 nan 8.290 nan 0.000 0.498 382 I N 1.076 121.660 120.570 0.023 0.000 2.428 382 I HA 0.424 4.565 4.170 -0.048 0.000 0.296 382 I C 0.494 176.602 176.117 -0.014 0.000 0.985 382 I CA -0.471 60.827 61.300 -0.003 0.000 1.260 382 I CB 1.224 39.222 38.000 -0.003 0.000 1.389 382 I HN 0.402 nan 8.210 nan 0.000 0.484 383 M N 4.737 124.319 119.600 -0.030 0.000 2.250 383 M HA 0.461 4.912 4.480 -0.048 0.000 0.344 383 M C -0.308 175.970 176.300 -0.038 0.000 1.150 383 M CA -0.051 55.224 55.300 -0.042 0.000 1.147 383 M CB 1.673 34.237 32.600 -0.060 0.000 1.498 383 M HN 0.432 nan 8.290 nan 0.000 0.461 384 V N 3.360 123.254 119.914 -0.033 0.000 3.147 384 V HA 0.340 4.431 4.120 -0.048 0.000 0.299 384 V C -0.720 175.356 176.094 -0.029 0.000 1.302 384 V CA -0.538 61.743 62.300 -0.032 0.000 1.015 384 V CB 2.243 34.064 31.823 -0.004 0.000 1.086 384 V HN 1.006 nan 8.190 nan 0.000 0.437 385 N N 2.470 121.145 118.700 -0.041 0.000 2.708 385 N HA -0.145 4.566 4.740 -0.048 0.000 0.251 385 N C 0.378 175.845 175.510 -0.071 0.000 1.123 385 N CA 1.429 54.469 53.050 -0.017 0.000 0.739 385 N CB -1.208 37.308 38.487 0.048 0.000 1.113 385 N HN 0.635 nan 8.380 nan 0.000 0.561 386 S N -0.200 115.333 115.700 -0.279 0.000 2.525 386 S HA 0.507 4.948 4.470 -0.048 0.000 0.242 386 S C 1.214 175.074 174.600 -1.234 0.000 1.164 386 S CA 0.106 57.785 58.200 -0.868 0.000 1.154 386 S CB 0.837 63.682 63.200 -0.592 0.000 0.875 386 S HN 0.870 nan 8.310 nan 0.000 0.482 387 G N 3.592 111.997 108.800 -0.660 0.000 2.566 387 G HA2 -0.260 3.671 3.960 -0.048 0.000 0.280 387 G HA3 -0.260 3.671 3.960 -0.048 0.000 0.280 387 G C -1.719 172.950 174.900 -0.385 0.000 1.225 387 G CA 0.083 44.934 45.100 -0.414 0.000 0.966 387 G HN 0.330 nan 8.290 nan 0.000 0.560 388 P HA 0.052 nan 4.420 nan 0.000 0.230 388 P C 1.375 178.361 177.300 -0.522 0.000 1.158 388 P CA 1.323 64.133 63.100 -0.482 0.000 0.769 388 P CB -0.160 31.205 31.700 -0.558 0.000 0.807 389 F N 0.204 119.933 119.950 -0.369 0.000 2.748 389 F HA 0.053 4.552 4.527 -0.047 0.000 0.299 389 F C 1.127 176.782 175.800 -0.242 0.000 1.154 389 F CA -0.094 57.720 58.000 -0.310 0.000 1.446 389 F CB -0.993 37.773 39.000 -0.389 0.000 1.112 389 F HN -0.163 nan 8.300 nan 0.000 0.584 390 D N 0.304 120.639 120.400 -0.108 0.000 2.443 390 D HA 0.137 4.749 4.640 -0.048 0.000 0.234 390 D C 1.636 177.903 176.300 -0.054 0.000 1.172 390 D CA 1.577 55.525 54.000 -0.086 0.000 0.878 390 D CB 0.515 41.256 40.800 -0.099 0.000 1.204 390 D HN 0.351 nan 8.370 nan 0.000 0.453 391 G N 1.678 110.454 108.800 -0.040 0.000 2.377 391 G HA2 -0.324 3.607 3.960 -0.048 0.000 0.250 391 G HA3 -0.324 3.607 3.960 -0.048 0.000 0.250 391 G C 0.660 175.548 174.900 -0.019 0.000 1.039 391 G CA 0.823 45.906 45.100 -0.029 0.000 0.625 391 G HN 0.628 nan 8.290 nan 0.000 0.526 392 T N 2.880 117.427 114.554 -0.011 0.000 2.940 392 T HA 0.398 4.720 4.350 -0.048 0.000 0.309 392 T C 0.568 175.263 174.700 -0.009 0.000 1.056 392 T CA 0.015 62.117 62.100 0.004 0.000 1.137 392 T CB 1.156 70.052 68.868 0.047 0.000 0.976 392 T HN 0.339 nan 8.240 nan 0.000 0.547 393 E N 1.349 121.544 120.200 -0.009 0.000 2.442 393 E HA -0.005 4.316 4.350 -0.048 0.000 0.260 393 E C 1.391 177.971 176.600 -0.033 0.000 1.148 393 E CA 0.025 56.414 56.400 -0.017 0.000 0.976 393 E CB 0.602 30.294 29.700 -0.013 0.000 0.967 393 E HN 0.657 nan 8.360 nan 0.000 0.454 394 S N 1.463 117.137 115.700 -0.043 0.000 2.345 394 S HA -0.150 4.292 4.470 -0.048 0.000 0.220 394 S C 1.370 175.931 174.600 -0.065 0.000 1.031 394 S CA 1.137 59.296 58.200 -0.068 0.000 0.996 394 S CB 0.085 63.237 63.200 -0.081 0.000 0.882 394 S HN 0.361 nan 8.310 nan 0.000 0.445 395 E N 1.128 121.298 120.200 -0.050 0.000 2.038 395 E HA -0.159 4.162 4.350 -0.048 0.000 0.195 395 E C 2.068 178.647 176.600 -0.034 0.000 1.000 395 E CA 1.295 57.670 56.400 -0.042 0.000 0.803 395 E CB -0.693 28.988 29.700 -0.031 0.000 0.750 395 E HN 0.728 nan 8.360 nan 0.000 0.448 396 E N 0.050 120.236 120.200 -0.023 0.000 2.268 396 E HA -0.097 4.225 4.350 -0.048 0.000 0.195 396 E C 1.971 178.564 176.600 -0.012 0.000 0.995 396 E CA 0.748 57.143 56.400 -0.009 0.000 0.836 396 E CB -0.150 29.551 29.700 0.002 0.000 0.763 396 E HN 0.279 nan 8.360 nan 0.000 0.491 397 G N 1.415 110.192 108.800 -0.037 0.000 2.453 397 G HA2 -0.300 3.632 3.960 -0.048 0.000 0.215 397 G HA3 -0.300 3.632 3.960 -0.048 0.000 0.215 397 G C 1.339 176.173 174.900 -0.110 0.000 1.201 397 G CA 0.957 46.010 45.100 -0.078 0.000 0.784 397 G HN 0.171 nan 8.290 nan 0.000 0.545 398 K N 0.648 120.991 120.400 -0.095 0.000 1.998 398 K HA -0.270 4.021 4.320 -0.048 0.000 0.228 398 K C 2.691 179.259 176.600 -0.053 0.000 1.053 398 K CA 2.109 58.344 56.287 -0.086 0.000 0.988 398 K CB -0.384 32.074 32.500 -0.069 0.000 0.735 398 K HN 0.392 nan 8.250 nan 0.000 0.448 399 R N 1.397 121.883 120.500 -0.023 0.000 2.139 399 R HA -0.158 4.153 4.340 -0.048 0.000 0.243 399 R C 1.990 178.314 176.300 0.041 0.000 1.145 399 R CA 1.575 57.680 56.100 0.008 0.000 0.976 399 R CB -0.357 29.951 30.300 0.012 0.000 0.866 399 R HN 0.218 nan 8.270 nan 0.000 0.449 400 K N 0.900 121.327 120.400 0.045 0.000 2.031 400 K HA -0.007 4.284 4.320 -0.048 0.000 0.205 400 K C 2.182 178.883 176.600 0.169 0.000 1.049 400 K CA 1.290 57.656 56.287 0.133 0.000 0.939 400 K CB -0.047 32.558 32.500 0.176 0.000 0.717 400 K HN -0.012 nan 8.250 nan 0.000 0.438 401 V N 2.102 121.976 119.914 -0.067 0.000 2.407 401 V HA -0.248 3.843 4.120 -0.048 0.000 0.248 401 V C 2.187 178.373 176.094 0.153 0.000 1.055 401 V CA 1.585 63.799 62.300 -0.142 0.000 1.049 401 V CB -0.474 31.118 31.823 -0.384 0.000 0.662 401 V HN 0.281 nan 8.190 nan 0.000 0.455 402 I N 0.580 121.198 120.570 0.080 0.000 2.163 402 I HA -0.202 3.940 4.170 -0.048 0.000 0.240 402 I C 2.695 178.886 176.117 0.123 0.000 1.081 402 I CA 1.495 62.846 61.300 0.084 0.000 1.353 402 I CB -0.667 37.353 38.000 0.033 0.000 1.054 402 I HN 0.289 nan 8.210 nan 0.000 0.407 403 A N -0.106 122.796 122.820 0.137 0.000 2.024 403 A HA -0.269 4.023 4.320 -0.048 0.000 0.220 403 A C 2.073 179.775 177.584 0.196 0.000 1.164 403 A CA 1.449 53.568 52.037 0.136 0.000 0.643 403 A CB -1.040 18.039 19.000 0.133 0.000 0.806 403 A HN 0.695 nan 8.150 nan 0.000 0.451 404 W N 0.324 121.686 121.300 0.104 0.000 2.443 404 W HA -0.017 4.614 4.660 -0.048 0.000 0.296 404 W C 1.721 178.295 176.519 0.092 0.000 1.202 404 W CA 1.523 58.960 57.345 0.152 0.000 1.312 404 W CB -0.283 29.383 29.460 0.343 0.000 1.120 404 W HN 0.237 nan 8.180 nan 0.000 0.536 405 L N 0.298 121.598 121.223 0.128 0.000 1.994 405 L HA -0.186 4.125 4.340 -0.048 0.000 0.208 405 L C 2.122 178.914 176.870 -0.130 0.000 1.071 405 L CA 1.685 56.478 54.840 -0.077 0.000 0.745 405 L CB -1.044 41.046 42.059 0.053 0.000 0.892 405 L HN -0.101 nan 8.230 nan 0.000 0.431 406 E N -0.500 119.672 120.200 -0.046 0.000 2.533 406 E HA -0.203 4.119 4.350 -0.048 0.000 0.203 406 E C 1.658 178.211 176.600 -0.078 0.000 1.101 406 E CA 0.247 56.618 56.400 -0.049 0.000 0.894 406 E CB 0.149 29.842 29.700 -0.011 0.000 0.843 406 E HN 0.427 nan 8.360 nan 0.000 0.552 407 E N 0.022 120.138 120.200 -0.141 0.000 2.256 407 E HA -0.013 4.308 4.350 -0.048 0.000 0.198 407 E C 1.266 177.739 176.600 -0.212 0.000 0.908 407 E CA 0.167 56.474 56.400 -0.155 0.000 0.915 407 E CB 0.455 30.059 29.700 -0.159 0.000 0.890 407 E HN -0.079 nan 8.360 nan 0.000 0.484 408 K N -0.040 120.161 120.400 -0.332 0.000 2.404 408 K HA 0.129 4.420 4.320 -0.048 0.000 0.194 408 K C 0.650 177.123 176.600 -0.213 0.000 1.023 408 K CA 0.700 56.801 56.287 -0.310 0.000 1.094 408 K CB 1.046 33.255 32.500 -0.486 0.000 0.841 408 K HN 0.282 nan 8.250 nan 0.000 0.523 409 G N 2.057 110.752 108.800 -0.174 0.000 2.198 409 G HA2 -0.252 3.680 3.960 -0.048 0.000 0.257 409 G HA3 -0.252 3.680 3.960 -0.048 0.000 0.257 409 G C 0.596 175.428 174.900 -0.113 0.000 1.042 409 G CA 0.299 45.330 45.100 -0.115 0.000 0.791 409 G HN 0.313 nan 8.290 nan 0.000 0.502 410 L N -1.054 120.082 121.223 -0.146 0.000 2.354 410 L HA 0.507 4.819 4.340 -0.048 0.000 0.212 410 L C 1.712 178.544 176.870 -0.063 0.000 1.091 410 L CA 1.041 55.805 54.840 -0.126 0.000 0.828 410 L CB 0.111 42.054 42.059 -0.193 0.000 0.973 410 L HN 0.586 nan 8.230 nan 0.000 0.461 411 G N -0.191 108.580 108.800 -0.048 0.000 2.578 411 G HA2 0.496 4.428 3.960 -0.048 0.000 0.302 411 G HA3 0.496 4.428 3.960 -0.048 0.000 0.302 411 G C -1.829 173.068 174.900 -0.004 0.000 1.243 411 G CA -0.401 44.697 45.100 -0.004 0.000 0.843 411 G HN -0.016 nan 8.290 nan 0.000 0.486 412 K N -1.453 118.955 120.400 0.014 0.000 2.685 412 K HA 0.563 4.854 4.320 -0.048 0.000 0.290 412 K C -0.524 176.090 176.600 0.023 0.000 1.018 412 K CA -0.648 55.647 56.287 0.012 0.000 0.860 412 K CB 1.189 33.692 32.500 0.005 0.000 1.498 412 K HN 1.201 nan 8.250 nan 0.000 0.390 413 G N 1.236 110.048 108.800 0.020 0.000 2.355 413 G HA2 0.478 4.409 3.960 -0.048 0.000 0.276 413 G HA3 0.478 4.409 3.960 -0.048 0.000 0.276 413 G C -0.774 174.149 174.900 0.039 0.000 1.198 413 G CA -0.350 44.765 45.100 0.025 0.000 0.876 413 G HN 0.558 nan 8.290 nan 0.000 0.478 414 R N 0.946 121.498 120.500 0.087 0.000 2.888 414 R HA 0.676 4.987 4.340 -0.048 0.000 0.264 414 R C -1.479 174.877 176.300 0.094 0.000 1.045 414 R CA -0.701 55.444 56.100 0.075 0.000 0.962 414 R CB 2.386 32.733 30.300 0.077 0.000 1.210 414 R HN 0.340 nan 8.270 nan 0.000 0.479 415 V N 2.078 121.936 119.914 -0.094 0.000 2.398 415 V HA 0.271 4.362 4.120 -0.048 0.000 0.282 415 V C -0.119 175.603 176.094 -0.620 0.000 1.014 415 V CA -0.779 61.360 62.300 -0.268 0.000 0.838 415 V CB 1.231 32.884 31.823 -0.283 0.000 1.018 415 V HN 0.985 nan 8.190 nan 0.000 0.432 416 T N 1.249 115.332 114.554 -0.785 0.000 2.862 416 T HA 0.766 5.087 4.350 -0.048 0.000 0.276 416 T C -0.830 173.433 174.700 -0.727 0.000 0.974 416 T CA -0.490 61.121 62.100 -0.814 0.000 0.966 416 T CB 1.476 69.698 68.868 -1.077 0.000 1.072 416 T HN 0.307 nan 8.240 nan 0.000 0.538 417 Y N -1.168 119.041 120.300 -0.153 0.000 2.512 417 Y HA 0.524 5.046 4.550 -0.048 0.000 0.348 417 Y C 1.516 177.445 175.900 0.048 0.000 0.990 417 Y CA -1.360 56.718 58.100 -0.038 0.000 1.033 417 Y CB 2.034 40.459 38.460 -0.058 0.000 1.259 417 Y HN 0.522 nan 8.280 nan 0.000 0.461 418 R N 0.697 121.294 120.500 0.161 0.000 2.090 418 R HA -0.023 4.289 4.340 -0.048 0.000 0.228 418 R C 0.169 176.388 176.300 -0.136 0.000 1.110 418 R CA 0.292 56.372 56.100 -0.034 0.000 0.973 418 R CB -0.079 30.072 30.300 -0.249 0.000 0.869 418 R HN 0.552 nan 8.270 nan 0.000 0.440 419 L N 2.717 123.860 121.223 -0.133 0.000 2.667 419 L HA -0.107 4.204 4.340 -0.048 0.000 0.278 419 L C -0.180 176.664 176.870 -0.043 0.000 1.217 419 L CA 1.077 55.827 54.840 -0.151 0.000 0.935 419 L CB 0.203 42.226 42.059 -0.059 0.000 1.193 419 L HN 0.021 nan 8.230 nan 0.000 0.493 420 R N 4.056 124.544 120.500 -0.020 0.000 2.604 420 R HA 0.326 4.638 4.340 -0.048 0.000 0.287 420 R C -0.531 175.872 176.300 0.173 0.000 0.970 420 R CA -1.153 54.986 56.100 0.065 0.000 0.946 420 R CB 0.837 31.177 30.300 0.066 0.000 1.127 420 R HN 0.607 nan 8.270 nan 0.000 0.473 421 D N 0.848 121.369 120.400 0.202 0.000 2.443 421 D HA -0.120 4.491 4.640 -0.048 0.000 0.234 421 D C -0.320 176.272 176.300 0.486 0.000 1.172 421 D CA 0.601 54.787 54.000 0.310 0.000 0.878 421 D CB 0.578 41.570 40.800 0.319 0.000 1.204 421 D HN 0.259 nan 8.370 nan 0.000 0.453 422 W N 3.580 125.031 121.300 0.251 0.000 2.419 422 W HA 0.244 4.874 4.660 -0.049 0.000 0.312 422 W C -0.646 175.956 176.519 0.139 0.000 1.323 422 W CA -0.780 56.710 57.345 0.241 0.000 1.293 422 W CB -0.274 29.318 29.460 0.221 0.000 1.324 422 W HN 0.171 nan 8.180 nan 0.000 0.512 423 L N 10.093 131.516 121.223 0.335 0.000 2.282 423 L HA 0.220 4.531 4.340 -0.048 0.000 0.287 423 L C 1.025 177.800 176.870 -0.159 0.000 1.075 423 L CA -0.182 54.504 54.840 -0.257 0.000 0.839 423 L CB 0.274 42.148 42.059 -0.307 0.000 1.219 423 L HN 0.593 nan 8.230 nan 0.000 0.434 424 I N 1.260 121.654 120.570 -0.295 0.000 3.891 424 I HA 0.247 4.388 4.170 -0.048 0.000 0.331 424 I C 0.228 176.266 176.117 -0.132 0.000 1.406 424 I CA -0.333 60.801 61.300 -0.276 0.000 1.139 424 I CB 0.245 37.986 38.000 -0.433 0.000 1.056 424 I HN 0.511 nan 8.210 nan 0.000 0.399 425 S N 1.433 117.091 115.700 -0.069 0.000 2.451 425 S HA 0.650 5.092 4.470 -0.048 0.000 0.301 425 S C -0.239 174.356 174.600 -0.008 0.000 1.116 425 S CA -0.803 57.382 58.200 -0.026 0.000 1.093 425 S CB 1.900 65.168 63.200 0.112 0.000 1.017 425 S HN 0.254 nan 8.310 nan 0.000 0.482 426 R N 1.839 122.322 120.500 -0.028 0.000 2.670 426 R HA 0.371 4.683 4.340 -0.048 0.000 0.289 426 R C -0.940 175.371 176.300 0.018 0.000 0.965 426 R CA -0.668 55.428 56.100 -0.007 0.000 0.899 426 R CB 1.493 31.782 30.300 -0.019 0.000 1.173 426 R HN 0.666 nan 8.270 nan 0.000 0.456 427 Q N 2.187 122.016 119.800 0.048 0.000 3.207 427 Q HA 0.273 4.584 4.340 -0.048 0.000 0.335 427 Q C -0.306 175.751 176.000 0.095 0.000 1.374 427 Q CA 0.050 55.913 55.803 0.100 0.000 1.023 427 Q CB 0.414 29.259 28.738 0.179 0.000 1.576 427 Q HN 0.056 nan 8.270 nan 0.000 0.515 428 R N -0.615 119.933 120.500 0.080 0.000 2.867 428 R HA 0.253 4.565 4.340 -0.048 0.000 0.268 428 R C -0.147 176.249 176.300 0.160 0.000 1.014 428 R CA -0.765 55.407 56.100 0.120 0.000 0.946 428 R CB 0.451 30.806 30.300 0.093 0.000 1.208 428 R HN 0.277 nan 8.270 nan 0.000 0.477 429 Y N 0.878 121.251 120.300 0.123 0.000 2.177 429 Y HA 0.074 4.595 4.550 -0.049 0.000 0.291 429 Y C 0.526 176.580 175.900 0.256 0.000 1.117 429 Y CA 0.763 58.956 58.100 0.156 0.000 1.114 429 Y CB 0.128 38.693 38.460 0.174 0.000 1.017 429 Y HN 0.558 nan 8.280 nan 0.000 0.505 430 W N 3.649 124.869 121.300 -0.134 0.000 2.771 430 W HA 0.374 5.005 4.660 -0.047 0.000 0.407 430 W C -0.332 176.164 176.519 -0.038 0.000 1.221 430 W CA 0.701 58.021 57.345 -0.042 0.000 1.539 430 W CB -0.569 28.960 29.460 0.117 0.000 1.647 430 W HN 0.361 nan 8.180 nan 0.000 0.469 431 G N 2.393 110.786 108.800 -0.678 0.000 2.489 431 G HA2 0.168 4.100 3.960 -0.048 0.000 0.291 431 G HA3 0.168 4.100 3.960 -0.048 0.000 0.291 431 G C -1.179 172.685 174.900 -1.726 0.000 1.487 431 G CA -0.880 43.423 45.100 -1.327 0.000 0.795 431 G HN -0.035 nan 8.290 nan 0.000 0.513 432 T N 2.933 116.599 114.554 -1.480 0.000 2.779 432 T HA 0.428 4.749 4.350 -0.048 0.000 0.296 432 T C -2.402 171.871 174.700 -0.713 0.000 0.938 432 T CA -0.467 60.990 62.100 -1.071 0.000 1.119 432 T CB 1.244 69.703 68.868 -0.683 0.000 0.891 432 T HN 0.213 nan 8.240 nan 0.000 0.526 433 P HA 0.156 nan 4.420 nan 0.000 0.267 433 P C -0.039 177.009 177.300 -0.419 0.000 1.209 433 P CA -0.228 62.659 63.100 -0.356 0.000 0.763 433 P CB 0.214 31.808 31.700 -0.176 0.000 0.816 434 I N 6.842 127.109 120.570 -0.504 0.000 2.517 434 I HA 0.043 4.184 4.170 -0.048 0.000 0.285 434 I C -1.245 174.498 176.117 -0.622 0.000 1.106 434 I CA -1.566 59.238 61.300 -0.826 0.000 1.402 434 I CB 0.627 38.038 38.000 -0.982 0.000 1.399 434 I HN 0.227 nan 8.210 nan 0.000 0.535 435 P HA 0.060 nan 4.420 nan 0.000 0.249 435 P C -0.558 176.526 177.300 -0.360 0.000 1.686 435 P CA 0.331 63.219 63.100 -0.353 0.000 0.873 435 P CB 0.084 31.651 31.700 -0.221 0.000 1.828 436 M N 0.113 119.457 119.600 -0.428 0.000 2.591 436 M HA 0.441 4.893 4.480 -0.048 0.000 0.306 436 M C -0.213 175.849 176.300 -0.396 0.000 1.190 436 M CA -1.147 53.916 55.300 -0.395 0.000 0.889 436 M CB 2.519 34.897 32.600 -0.370 0.000 1.728 436 M HN -0.265 nan 8.290 nan 0.000 0.458 437 V N 0.750 120.426 119.914 -0.396 0.000 3.074 437 V HA 0.523 4.614 4.120 -0.048 0.000 0.314 437 V C -0.883 174.943 176.094 -0.446 0.000 1.117 437 V CA -0.860 61.202 62.300 -0.397 0.000 1.014 437 V CB 2.546 34.246 31.823 -0.204 0.000 1.057 437 V HN 0.743 nan 8.190 nan 0.000 0.438 438 H N 0.791 119.854 119.070 -0.012 0.000 2.786 438 H HA 0.390 4.917 4.556 -0.048 0.000 0.284 438 H C -0.414 174.917 175.328 0.003 0.000 1.104 438 H CA -0.336 55.716 56.048 0.007 0.000 1.339 438 H CB 1.323 31.088 29.762 0.005 0.000 1.427 438 H HN 0.776 nan 8.280 nan 0.000 0.497 439 C N 2.503 121.870 119.300 0.110 0.000 2.443 439 C HA 0.147 4.579 4.460 -0.048 0.000 0.369 439 C C 2.092 177.124 174.990 0.071 0.000 1.241 439 C CA -0.192 58.868 59.018 0.070 0.000 2.413 439 C CB 0.573 28.343 27.740 0.049 0.000 2.451 439 C HN 0.977 nan 8.230 nan 0.000 0.595 440 E N 1.071 121.301 120.200 0.050 0.000 2.340 440 E HA 0.103 4.424 4.350 -0.048 0.000 0.194 440 E C 1.650 178.271 176.600 0.035 0.000 0.996 440 E CA 0.953 57.376 56.400 0.039 0.000 0.869 440 E CB 0.156 29.873 29.700 0.029 0.000 0.835 440 E HN 0.834 nan 8.360 nan 0.000 0.493 441 A N -0.417 122.424 122.820 0.036 0.000 2.014 441 A HA 0.045 4.336 4.320 -0.048 0.000 0.210 441 A C 2.048 179.656 177.584 0.040 0.000 1.188 441 A CA 0.225 52.281 52.037 0.032 0.000 0.731 441 A CB -0.106 18.910 19.000 0.027 0.000 0.858 441 A HN 0.419 nan 8.150 nan 0.000 0.464 442 C N -1.639 117.689 119.300 0.047 0.000 2.551 442 C HA 0.516 4.947 4.460 -0.048 0.000 0.277 442 C C 1.877 176.914 174.990 0.078 0.000 1.349 442 C CA 0.195 59.248 59.018 0.058 0.000 1.750 442 C CB -0.694 27.079 27.740 0.054 0.000 2.058 442 C HN 1.010 nan 8.230 nan 0.000 0.518 443 G N 0.434 109.283 108.800 0.082 0.000 2.545 443 G HA2 -0.194 3.737 3.960 -0.048 0.000 0.240 443 G HA3 -0.194 3.737 3.960 -0.048 0.000 0.240 443 G C -0.455 174.534 174.900 0.149 0.000 1.172 443 G CA -0.095 45.070 45.100 0.108 0.000 0.949 443 G HN 0.340 nan 8.290 nan 0.000 0.574 444 V N 1.490 121.518 119.914 0.190 0.000 2.389 444 V HA 0.506 4.597 4.120 -0.048 0.000 0.264 444 V C 0.522 176.682 176.094 0.110 0.000 1.049 444 V CA -0.192 62.229 62.300 0.202 0.000 0.932 444 V CB 0.767 32.755 31.823 0.274 0.000 1.011 444 V HN 0.862 nan 8.190 nan 0.000 0.475 445 V N 7.765 127.674 119.914 -0.008 0.000 2.555 445 V HA 0.484 4.576 4.120 -0.048 0.000 0.302 445 V C -2.226 173.747 176.094 -0.203 0.000 1.038 445 V CA -2.020 60.253 62.300 -0.045 0.000 0.887 445 V CB 2.252 34.071 31.823 -0.006 0.000 0.991 445 V HN 0.678 nan 8.190 nan 0.000 0.434 446 P HA 0.242 nan 4.420 nan 0.000 0.281 446 P C -0.309 176.886 177.300 -0.176 0.000 1.252 446 P CA -0.064 62.819 63.100 -0.362 0.000 0.778 446 P CB 1.496 32.911 31.700 -0.476 0.000 0.895 447 V N 6.166 125.976 119.914 -0.173 0.000 2.872 447 V HA 0.037 4.129 4.120 -0.048 0.000 0.307 447 V C -1.710 174.345 176.094 -0.065 0.000 1.072 447 V CA -0.922 61.313 62.300 -0.108 0.000 1.148 447 V CB -0.604 31.152 31.823 -0.112 0.000 0.954 447 V HN 0.591 nan 8.190 nan 0.000 0.490 448 P HA 0.055 nan 4.420 nan 0.000 0.269 448 P C 0.797 178.096 177.300 -0.003 0.000 1.209 448 P CA 0.003 63.095 63.100 -0.012 0.000 0.776 448 P CB 0.538 32.236 31.700 -0.003 0.000 0.876 449 E N 2.598 122.804 120.200 0.011 0.000 2.110 449 E HA -0.229 4.093 4.350 -0.048 0.000 0.193 449 E C 1.074 177.719 176.600 0.076 0.000 0.988 449 E CA 1.104 57.530 56.400 0.043 0.000 0.804 449 E CB 0.152 29.876 29.700 0.040 0.000 0.745 449 E HN 0.576 nan 8.360 nan 0.000 0.458 450 E N -0.125 120.107 120.200 0.054 0.000 2.489 450 E HA -0.085 4.236 4.350 -0.048 0.000 0.193 450 E C 1.464 178.076 176.600 0.020 0.000 1.057 450 E CA 0.265 56.693 56.400 0.048 0.000 0.866 450 E CB 0.160 29.888 29.700 0.047 0.000 0.916 450 E HN 0.274 nan 8.360 nan 0.000 0.500 451 E N 0.793 120.999 120.200 0.010 0.000 2.474 451 E HA 0.126 4.447 4.350 -0.048 0.000 0.194 451 E C 0.309 176.902 176.600 -0.012 0.000 1.041 451 E CA -0.244 56.155 56.400 -0.001 0.000 0.874 451 E CB 0.351 30.047 29.700 -0.006 0.000 0.914 451 E HN 0.240 nan 8.360 nan 0.000 0.498 452 L N 2.649 123.861 121.223 -0.018 0.000 2.467 452 L HA 0.161 4.473 4.340 -0.048 0.000 0.270 452 L C -1.540 175.275 176.870 -0.091 0.000 1.205 452 L CA -1.451 53.361 54.840 -0.047 0.000 0.828 452 L CB -0.065 41.965 42.059 -0.049 0.000 1.101 452 L HN 0.097 nan 8.230 nan 0.000 0.479 453 P HA 0.135 nan 4.420 nan 0.000 0.297 453 P C -0.906 176.406 177.300 0.020 0.000 1.303 453 P CA -0.324 62.735 63.100 -0.068 0.000 0.753 453 P CB 1.103 32.727 31.700 -0.126 0.000 1.281 454 V N 0.690 120.658 119.914 0.090 0.000 2.320 454 V HA 0.115 4.206 4.120 -0.048 0.000 0.257 454 V C 0.437 176.647 176.094 0.193 0.000 0.996 454 V CA -0.543 61.833 62.300 0.126 0.000 0.928 454 V CB -0.085 31.786 31.823 0.080 0.000 1.169 454 V HN 0.330 nan 8.190 nan 0.000 0.475 455 L N 2.172 123.514 121.223 0.199 0.000 2.535 455 L HA -0.034 4.277 4.340 -0.048 0.000 0.301 455 L C 0.360 177.265 176.870 0.058 0.000 1.275 455 L CA 0.967 55.937 54.840 0.216 0.000 0.843 455 L CB 0.085 42.241 42.059 0.161 0.000 1.094 455 L HN 0.370 nan 8.230 nan 0.000 0.532 456 L N 2.718 123.942 121.223 0.002 0.000 2.326 456 L HA 0.346 4.658 4.340 -0.048 0.000 0.278 456 L C -1.885 174.924 176.870 -0.101 0.000 1.092 456 L CA -1.784 52.954 54.840 -0.170 0.000 0.810 456 L CB 1.384 43.347 42.059 -0.160 0.000 1.153 456 L HN 0.459 nan 8.230 nan 0.000 0.439 457 P HA -0.067 nan 4.420 nan 0.000 0.262 457 P C -0.903 176.404 177.300 0.011 0.000 1.182 457 P CA 0.030 63.025 63.100 -0.175 0.000 0.761 457 P CB 0.300 31.821 31.700 -0.298 0.000 0.795 458 D N 3.339 123.729 120.400 -0.016 0.000 2.338 458 D HA 0.137 4.749 4.640 -0.048 0.000 0.255 458 D C -0.923 175.313 176.300 -0.107 0.000 1.237 458 D CA 0.193 54.202 54.000 0.015 0.000 0.883 458 D CB 0.236 41.036 40.800 -0.000 0.000 1.087 458 D HN 0.067 nan 8.370 nan 0.000 0.485 459 L N 5.127 126.278 121.223 -0.120 0.000 2.349 459 L HA 0.247 4.558 4.340 -0.048 0.000 0.278 459 L C 1.280 177.976 176.870 -0.291 0.000 0.996 459 L CA -0.477 54.199 54.840 -0.273 0.000 0.825 459 L CB 1.937 43.722 42.059 -0.457 0.000 1.243 459 L HN 0.157 nan 8.230 nan 0.000 0.412 460 K N 0.185 120.419 120.400 -0.277 0.000 2.244 460 K HA 0.121 4.413 4.320 -0.048 0.000 0.200 460 K C -0.019 176.435 176.600 -0.243 0.000 1.052 460 K CA 0.134 56.215 56.287 -0.344 0.000 0.980 460 K CB 0.207 32.554 32.500 -0.255 0.000 0.838 460 K HN 0.502 nan 8.250 nan 0.000 0.481 461 D N 2.098 122.402 120.400 -0.161 0.000 2.383 461 D HA -0.041 4.570 4.640 -0.048 0.000 0.275 461 D C 1.163 177.404 176.300 -0.099 0.000 1.344 461 D CA 0.102 54.039 54.000 -0.104 0.000 0.984 461 D CB 0.715 41.478 40.800 -0.061 0.000 1.104 461 D HN -0.250 nan 8.370 nan 0.000 0.524 462 V N 4.346 124.212 119.914 -0.081 0.000 2.332 462 V HA -0.239 3.853 4.120 -0.048 0.000 0.248 462 V C 2.055 178.120 176.094 -0.049 0.000 1.055 462 V CA 1.698 63.965 62.300 -0.056 0.000 1.038 462 V CB -0.468 31.331 31.823 -0.040 0.000 0.651 462 V HN 0.601 nan 8.190 nan 0.000 0.450 463 E N -0.562 119.612 120.200 -0.043 0.000 2.516 463 E HA -0.166 4.155 4.350 -0.048 0.000 0.199 463 E C 1.647 178.232 176.600 -0.026 0.000 1.069 463 E CA 0.598 56.979 56.400 -0.032 0.000 0.876 463 E CB -0.017 29.667 29.700 -0.027 0.000 0.843 463 E HN 0.595 nan 8.360 nan 0.000 0.530 464 D N 0.916 121.294 120.400 -0.036 0.000 2.290 464 D HA -0.061 4.551 4.640 -0.048 0.000 0.224 464 D C 1.467 177.748 176.300 -0.032 0.000 0.967 464 D CA 0.348 54.335 54.000 -0.022 0.000 0.893 464 D CB 0.183 40.979 40.800 -0.006 0.000 1.037 464 D HN 0.233 nan 8.370 nan 0.000 0.477 465 I N -0.501 120.010 120.570 -0.098 0.000 3.539 465 I HA 0.242 4.384 4.170 -0.048 0.000 0.297 465 I C 0.187 176.307 176.117 0.005 0.000 1.284 465 I CA -0.243 60.978 61.300 -0.132 0.000 1.355 465 I CB -0.447 37.339 38.000 -0.357 0.000 1.144 465 I HN -0.182 nan 8.210 nan 0.000 0.495 466 R N 3.560 124.071 120.500 0.019 0.000 2.494 466 R HA 0.549 4.861 4.340 -0.048 0.000 0.305 466 R C -2.740 173.596 176.300 0.060 0.000 0.959 466 R CA -1.924 54.197 56.100 0.033 0.000 0.864 466 R CB 1.794 32.098 30.300 0.006 0.000 1.159 466 R HN 0.089 nan 8.270 nan 0.000 0.446 467 P HA 0.142 nan 4.420 nan 0.000 0.276 467 P C -1.181 176.180 177.300 0.101 0.000 1.235 467 P CA -0.108 63.051 63.100 0.100 0.000 0.772 467 P CB 0.947 32.702 31.700 0.091 0.000 0.871 468 K N 1.826 122.300 120.400 0.123 0.000 2.564 468 K HA 0.402 4.694 4.320 -0.048 0.000 0.201 468 K C 0.998 177.685 176.600 0.146 0.000 1.086 468 K CA -0.008 56.345 56.287 0.110 0.000 1.062 468 K CB 0.818 33.358 32.500 0.066 0.000 0.849 468 K HN 0.675 nan 8.250 nan 0.000 0.529 469 G N 1.133 110.082 108.800 0.247 0.000 2.428 469 G HA2 -0.188 3.743 3.960 -0.048 0.000 0.199 469 G HA3 -0.188 3.743 3.960 -0.048 0.000 0.199 469 G C -0.144 174.917 174.900 0.269 0.000 1.005 469 G CA -0.511 44.753 45.100 0.273 0.000 0.671 469 G HN 0.130 nan 8.290 nan 0.000 0.485 470 K N 0.283 120.800 120.400 0.196 0.000 2.346 470 K HA 0.668 4.960 4.320 -0.048 0.000 0.238 470 K C -0.356 176.345 176.600 0.168 0.000 1.039 470 K CA -0.316 56.070 56.287 0.165 0.000 0.861 470 K CB 1.930 34.485 32.500 0.092 0.000 1.278 470 K HN 0.153 nan 8.250 nan 0.000 0.460 471 S N 1.433 117.224 115.700 0.152 0.000 2.498 471 S HA 0.108 4.549 4.470 -0.048 0.000 0.281 471 S C -1.893 172.804 174.600 0.160 0.000 1.265 471 S CA -1.260 57.033 58.200 0.156 0.000 1.071 471 S CB 0.369 63.659 63.200 0.149 0.000 0.894 471 S HN 0.244 nan 8.310 nan 0.000 0.491 472 P HA -0.044 nan 4.420 nan 0.000 0.223 472 P C 0.854 178.290 177.300 0.227 0.000 1.144 472 P CA 0.920 64.123 63.100 0.171 0.000 0.783 472 P CB 0.102 31.912 31.700 0.185 0.000 0.771 473 L N -1.000 120.389 121.223 0.276 0.000 2.418 473 L HA 0.003 4.314 4.340 -0.048 0.000 0.218 473 L C 1.638 178.755 176.870 0.412 0.000 1.125 473 L CA 0.650 55.715 54.840 0.375 0.000 0.835 473 L CB -0.489 41.793 42.059 0.372 0.000 0.953 473 L HN -0.112 nan 8.230 nan 0.000 0.454 474 E N 0.870 121.221 120.200 0.251 0.000 2.357 474 E HA 0.046 4.367 4.350 -0.048 0.000 0.194 474 E C 0.791 177.504 176.600 0.190 0.000 1.177 474 E CA 0.203 56.704 56.400 0.169 0.000 0.998 474 E CB 0.306 30.047 29.700 0.069 0.000 1.106 474 E HN 0.359 nan 8.360 nan 0.000 0.470 475 A N 0.267 123.205 122.820 0.197 0.000 2.596 475 A HA 0.109 4.401 4.320 -0.048 0.000 0.276 475 A C -0.202 177.203 177.584 -0.298 0.000 0.962 475 A CA -0.359 51.651 52.037 -0.046 0.000 1.010 475 A CB 0.358 19.239 19.000 -0.198 0.000 1.220 475 A HN 0.116 nan 8.150 nan 0.000 0.549 476 H N -0.171 119.040 119.070 0.236 0.000 2.607 476 H HA 0.221 4.748 4.556 -0.048 0.000 0.248 476 H C -2.450 172.691 175.328 -0.313 0.000 1.355 476 H CA -1.499 54.571 56.048 0.035 0.000 1.524 476 H CB 1.133 30.947 29.762 0.086 0.000 1.563 476 H HN 0.080 nan 8.280 nan 0.000 0.509 477 P HA -0.219 nan 4.420 nan 0.000 0.216 477 P C 1.721 178.731 177.300 -0.484 0.000 1.150 477 P CA 1.300 63.859 63.100 -0.901 0.000 0.843 477 P CB 0.383 31.886 31.700 -0.329 0.000 0.787 478 E N -1.196 118.904 120.200 -0.167 0.000 2.333 478 E HA -0.230 4.091 4.350 -0.048 0.000 0.200 478 E C 1.580 178.195 176.600 0.026 0.000 1.010 478 E CA 1.123 57.496 56.400 -0.045 0.000 0.841 478 E CB -0.964 28.746 29.700 0.016 0.000 0.757 478 E HN 0.284 nan 8.360 nan 0.000 0.508 479 F N 2.069 121.918 119.950 -0.168 0.000 2.289 479 F HA 0.031 4.529 4.527 -0.047 0.000 0.280 479 F C 2.122 177.919 175.800 -0.004 0.000 1.045 479 F CA 0.612 58.582 58.000 -0.051 0.000 1.236 479 F CB -0.727 38.305 39.000 0.052 0.000 1.116 479 F HN -0.012 nan 8.300 nan 0.000 0.550 480 Y N 0.065 120.204 120.300 -0.268 0.000 2.519 480 Y HA 0.292 4.813 4.550 -0.048 0.000 0.287 480 Y C 0.841 176.632 175.900 -0.182 0.000 1.128 480 Y CA 0.058 57.918 58.100 -0.399 0.000 1.282 480 Y CB -1.818 36.514 38.460 -0.213 0.000 1.027 480 Y HN 0.099 nan 8.280 nan 0.000 0.551 481 E N 2.146 122.283 120.200 -0.104 0.000 2.614 481 E HA 0.020 4.342 4.350 -0.048 0.000 0.321 481 E C -0.012 176.572 176.600 -0.027 0.000 1.354 481 E CA 0.140 56.536 56.400 -0.007 0.000 1.469 481 E CB -0.183 29.476 29.700 -0.068 0.000 1.197 481 E HN 0.356 nan 8.360 nan 0.000 0.497 482 T N 0.105 114.640 114.554 -0.031 0.000 2.889 482 T HA 0.336 4.657 4.350 -0.048 0.000 0.278 482 T C 0.162 174.850 174.700 -0.021 0.000 0.995 482 T CA -0.538 61.536 62.100 -0.042 0.000 0.966 482 T CB 1.450 70.269 68.868 -0.082 0.000 1.237 482 T HN 0.316 nan 8.240 nan 0.000 0.591 483 T N -1.185 113.356 114.554 -0.022 0.000 2.943 483 T HA 0.451 4.772 4.350 -0.048 0.000 0.284 483 T C 0.168 174.857 174.700 -0.018 0.000 1.015 483 T CA -0.823 61.271 62.100 -0.011 0.000 1.042 483 T CB 0.607 69.472 68.868 -0.005 0.000 1.055 483 T HN 0.739 nan 8.240 nan 0.000 0.500 484 C N 4.585 123.880 119.300 -0.008 0.000 2.499 484 C HA 0.495 4.926 4.460 -0.048 0.000 0.386 484 C C -0.910 174.076 174.990 -0.007 0.000 1.293 484 C CA -1.701 57.311 59.018 -0.010 0.000 1.884 484 C CB 0.105 27.848 27.740 0.005 0.000 2.509 484 C HN 0.797 nan 8.230 nan 0.000 0.566 485 P HA 0.031 nan 4.420 nan 0.000 0.253 485 P C 0.649 177.952 177.300 0.004 0.000 1.260 485 P CA 0.751 63.847 63.100 -0.007 0.000 0.800 485 P CB 0.089 31.779 31.700 -0.015 0.000 1.162 486 K N 0.425 120.831 120.400 0.010 0.000 2.159 486 K HA -0.027 4.264 4.320 -0.048 0.000 0.210 486 K C 2.162 178.774 176.600 0.019 0.000 1.026 486 K CA 1.270 57.569 56.287 0.020 0.000 0.959 486 K CB -0.462 32.056 32.500 0.030 0.000 0.890 486 K HN 0.181 nan 8.250 nan 0.000 0.459 487 C N -1.655 117.656 119.300 0.019 0.000 2.602 487 C HA 0.524 4.955 4.460 -0.048 0.000 0.282 487 C C 1.812 176.811 174.990 0.014 0.000 1.313 487 C CA 0.576 59.604 59.018 0.018 0.000 1.699 487 C CB -0.213 27.539 27.740 0.020 0.000 2.124 487 C HN 0.711 nan 8.230 nan 0.000 0.509 488 G N -0.234 108.573 108.800 0.012 0.000 2.273 488 G HA2 0.242 4.173 3.960 -0.048 0.000 0.162 488 G HA3 0.242 4.173 3.960 -0.048 0.000 0.162 488 G C 0.381 175.286 174.900 0.010 0.000 1.006 488 G CA 0.199 45.305 45.100 0.009 0.000 0.704 488 G HN 1.068 nan 8.290 nan 0.000 0.487 489 G N 0.123 108.930 108.800 0.012 0.000 2.525 489 G HA2 0.691 4.623 3.960 -0.048 0.000 0.287 489 G HA3 0.691 4.623 3.960 -0.048 0.000 0.287 489 G C -2.204 172.705 174.900 0.015 0.000 1.350 489 G CA -0.796 44.313 45.100 0.014 0.000 1.039 489 G HN 0.187 nan 8.290 nan 0.000 0.513 490 P HA 0.393 nan 4.420 nan 0.000 0.276 490 P C -0.482 176.835 177.300 0.029 0.000 1.243 490 P CA 0.138 63.252 63.100 0.023 0.000 0.768 490 P CB 1.475 33.191 31.700 0.028 0.000 0.856 491 A N 3.797 126.632 122.820 0.026 0.000 2.470 491 A HA 0.830 5.121 4.320 -0.048 0.000 0.271 491 A C -0.722 176.887 177.584 0.041 0.000 1.269 491 A CA -0.605 51.449 52.037 0.028 0.000 0.828 491 A CB 1.477 20.477 19.000 0.001 0.000 1.374 491 A HN 0.493 nan 8.150 nan 0.000 0.454 492 K N 0.453 120.873 120.400 0.033 0.000 2.588 492 K HA 0.342 4.633 4.320 -0.048 0.000 0.250 492 K C -1.107 175.464 176.600 -0.049 0.000 0.972 492 K CA -0.429 55.884 56.287 0.042 0.000 0.821 492 K CB 1.368 33.907 32.500 0.066 0.000 1.249 492 K HN 0.746 nan 8.250 nan 0.000 0.442 493 R N 1.938 122.354 120.500 -0.140 0.000 2.590 493 R HA 0.001 4.313 4.340 -0.048 0.000 0.274 493 R C -0.387 175.826 176.300 -0.144 0.000 1.061 493 R CA -0.256 55.686 56.100 -0.263 0.000 1.081 493 R CB 0.329 30.303 30.300 -0.544 0.000 0.984 493 R HN 0.545 nan 8.270 nan 0.000 0.448 494 D N 0.772 121.076 120.400 -0.160 0.000 2.417 494 D HA -0.051 4.560 4.640 -0.048 0.000 0.250 494 D C 1.164 177.523 176.300 0.099 0.000 1.166 494 D CA 0.325 54.354 54.000 0.049 0.000 0.881 494 D CB 1.054 41.880 40.800 0.044 0.000 1.164 494 D HN 0.569 nan 8.370 nan 0.000 0.467 495 T N 0.136 114.782 114.554 0.152 0.000 3.055 495 T HA -0.050 4.271 4.350 -0.048 0.000 0.265 495 T C 0.608 175.400 174.700 0.153 0.000 1.111 495 T CA 0.073 62.300 62.100 0.212 0.000 1.118 495 T CB 0.024 68.985 68.868 0.155 0.000 0.909 495 T HN 0.254 nan 8.240 nan 0.000 0.501 496 D N 2.614 123.076 120.400 0.102 0.000 2.360 496 D HA 0.336 4.947 4.640 -0.048 0.000 0.242 496 D C 0.323 176.569 176.300 -0.089 0.000 1.184 496 D CA 0.403 54.427 54.000 0.041 0.000 0.930 496 D CB 1.448 42.304 40.800 0.093 0.000 1.161 496 D HN 0.524 nan 8.370 nan 0.000 0.447 497 T N -2.257 112.212 114.554 -0.142 0.000 2.907 497 T HA 0.542 4.863 4.350 -0.048 0.000 0.292 497 T C 0.309 174.818 174.700 -0.319 0.000 1.043 497 T CA -0.960 60.967 62.100 -0.288 0.000 1.003 497 T CB 1.268 69.948 68.868 -0.313 0.000 1.084 497 T HN 0.175 nan 8.240 nan 0.000 0.483 498 M N 2.870 122.199 119.600 -0.453 0.000 2.238 498 M HA 0.144 4.596 4.480 -0.048 0.000 0.350 498 M C 0.711 176.864 176.300 -0.244 0.000 1.321 498 M CA -0.272 54.779 55.300 -0.415 0.000 1.097 498 M CB 0.297 32.514 32.600 -0.640 0.000 1.713 498 M HN 0.741 nan 8.290 nan 0.000 0.455 499 D N 2.033 122.377 120.400 -0.092 0.000 2.400 499 D HA -0.075 4.537 4.640 -0.048 0.000 0.238 499 D C 1.013 177.386 176.300 0.123 0.000 1.157 499 D CA 0.407 54.433 54.000 0.042 0.000 0.889 499 D CB 1.194 42.085 40.800 0.153 0.000 1.199 499 D HN 0.786 nan 8.370 nan 0.000 0.436 500 T N 2.797 117.417 114.554 0.110 0.000 2.624 500 T HA -0.271 4.050 4.350 -0.048 0.000 0.268 500 T C 1.901 176.772 174.700 0.284 0.000 1.041 500 T CA 1.530 63.714 62.100 0.140 0.000 1.159 500 T CB -0.536 68.376 68.868 0.072 0.000 0.863 500 T HN 0.456 nan 8.240 nan 0.000 0.434 501 F N 0.548 120.720 119.950 0.369 0.000 2.225 501 F HA 0.011 4.510 4.527 -0.047 0.000 0.302 501 F C 1.940 177.991 175.800 0.419 0.000 1.068 501 F CA 0.953 59.196 58.000 0.405 0.000 1.327 501 F CB -1.096 38.137 39.000 0.387 0.000 1.043 501 F HN 0.270 nan 8.300 nan 0.000 0.506 502 F N 1.849 122.048 119.950 0.415 0.000 2.046 502 F HA -0.278 4.220 4.527 -0.049 0.000 0.297 502 F C 2.148 178.111 175.800 0.272 0.000 1.123 502 F CA 2.304 60.466 58.000 0.270 0.000 1.199 502 F CB -0.826 38.261 39.000 0.144 0.000 0.972 502 F HN 0.156 nan 8.300 nan 0.000 0.474 503 D N -1.025 119.811 120.400 0.727 0.000 2.310 503 D HA -0.103 4.509 4.640 -0.048 0.000 0.212 503 D C 1.794 178.324 176.300 0.384 0.000 0.965 503 D CA 0.980 55.392 54.000 0.687 0.000 0.879 503 D CB -0.659 40.554 40.800 0.688 0.000 0.921 503 D HN 0.323 nan 8.370 nan 0.000 0.510 504 S N -1.034 114.903 115.700 0.394 0.000 2.634 504 S HA 0.190 4.632 4.470 -0.048 0.000 0.221 504 S C 1.214 176.054 174.600 0.400 0.000 0.952 504 S CA -0.541 57.884 58.200 0.375 0.000 0.930 504 S CB 0.160 63.611 63.200 0.418 0.000 0.780 504 S HN 0.062 nan 8.310 nan 0.000 0.498 505 S N 1.112 116.895 115.700 0.138 0.000 2.539 505 S HA 0.238 4.679 4.470 -0.048 0.000 0.221 505 S C 0.566 175.053 174.600 -0.188 0.000 0.987 505 S CA -0.410 57.758 58.200 -0.053 0.000 0.929 505 S CB -0.193 62.587 63.200 -0.700 0.000 0.832 505 S HN 0.978 nan 8.310 nan 0.000 0.492 506 W N 0.190 121.193 121.300 -0.495 0.000 1.479 506 W HA 0.230 4.862 4.660 -0.047 0.000 0.224 506 W C 0.574 176.576 176.519 -0.861 0.000 0.799 506 W CA -0.474 56.381 57.345 -0.816 0.000 1.149 506 W CB -1.142 28.181 29.460 -0.228 0.000 0.935 506 W HN 0.327 nan 8.180 nan 0.000 0.454 507 Y N 1.726 121.307 120.300 -1.199 0.000 2.181 507 Y HA -0.243 4.279 4.550 -0.046 0.000 0.288 507 Y C 2.609 177.937 175.900 -0.952 0.000 1.146 507 Y CA 2.039 59.484 58.100 -1.092 0.000 1.164 507 Y CB -1.765 36.174 38.460 -0.869 0.000 0.982 507 Y HN -0.041 nan 8.280 nan 0.000 0.515 508 Y N -0.112 119.467 120.300 -1.200 0.000 2.283 508 Y HA -0.216 4.305 4.550 -0.048 0.000 0.285 508 Y C 1.920 177.648 175.900 -0.287 0.000 1.176 508 Y CA 1.123 58.817 58.100 -0.676 0.000 1.229 508 Y CB -1.423 36.676 38.460 -0.602 0.000 0.975 508 Y HN 0.275 nan 8.280 nan 0.000 0.537 509 L N -0.496 120.449 121.223 -0.463 0.000 2.209 509 L HA -0.026 4.286 4.340 -0.048 0.000 0.207 509 L C 2.752 179.473 176.870 -0.248 0.000 1.094 509 L CA 0.973 55.623 54.840 -0.318 0.000 0.790 509 L CB -0.297 41.467 42.059 -0.492 0.000 0.932 509 L HN 0.120 nan 8.230 nan 0.000 0.447 510 R N -0.220 120.140 120.500 -0.233 0.000 2.096 510 R HA -0.203 4.108 4.340 -0.048 0.000 0.235 510 R C 2.072 178.348 176.300 -0.039 0.000 1.127 510 R CA 1.652 57.700 56.100 -0.087 0.000 0.968 510 R CB -0.691 29.476 30.300 -0.221 0.000 0.861 510 R HN 0.185 nan 8.270 nan 0.000 0.440 511 Y N 0.443 120.701 120.300 -0.070 0.000 2.365 511 Y HA -0.215 4.306 4.550 -0.048 0.000 0.287 511 Y C 2.406 178.195 175.900 -0.186 0.000 1.162 511 Y CA 1.694 59.715 58.100 -0.133 0.000 1.260 511 Y CB -1.200 37.169 38.460 -0.150 0.000 0.976 511 Y HN 0.343 nan 8.280 nan 0.000 0.548 512 T N -3.112 111.465 114.554 0.040 0.000 2.995 512 T HA -0.063 4.258 4.350 -0.048 0.000 0.269 512 T C 0.356 175.079 174.700 0.038 0.000 1.091 512 T CA 1.298 63.407 62.100 0.015 0.000 1.128 512 T CB -0.058 68.891 68.868 0.135 0.000 0.891 512 T HN 0.164 nan 8.240 nan 0.000 0.492 513 D N 1.058 121.478 120.400 0.033 0.000 2.826 513 D HA 0.266 4.878 4.640 -0.048 0.000 0.239 513 D C -2.263 174.041 176.300 0.007 0.000 1.329 513 D CA -1.406 52.612 54.000 0.030 0.000 0.854 513 D CB 1.429 42.283 40.800 0.090 0.000 1.494 513 D HN -0.001 nan 8.370 nan 0.000 0.540 514 P HA -0.039 nan 4.420 nan 0.000 0.233 514 P C 0.017 177.322 177.300 0.009 0.000 1.167 514 P CA 0.654 63.703 63.100 -0.086 0.000 0.770 514 P CB 0.025 31.595 31.700 -0.217 0.000 0.837 515 H N -1.147 117.998 119.070 0.125 0.000 2.505 515 H HA 0.257 4.784 4.556 -0.048 0.000 0.260 515 H C 0.237 175.639 175.328 0.124 0.000 1.168 515 H CA -0.685 55.442 56.048 0.132 0.000 0.945 515 H CB 0.065 29.890 29.762 0.106 0.000 1.800 515 H HN 0.010 nan 8.280 nan 0.000 0.586 516 N N 1.974 120.794 118.700 0.199 0.000 2.438 516 N HA -0.017 4.694 4.740 -0.048 0.000 0.282 516 N C -0.086 175.590 175.510 0.276 0.000 1.037 516 N CA -0.064 53.054 53.050 0.113 0.000 0.942 516 N CB 1.252 39.686 38.487 -0.088 0.000 1.136 516 N HN 0.512 nan 8.380 nan 0.000 0.481 517 D N 2.298 122.879 120.400 0.302 0.000 2.501 517 D HA 0.135 4.747 4.640 -0.048 0.000 0.224 517 D C 0.498 177.080 176.300 0.470 0.000 1.202 517 D CA -0.078 54.202 54.000 0.467 0.000 0.829 517 D CB 0.584 41.525 40.800 0.236 0.000 1.023 517 D HN 0.369 nan 8.370 nan 0.000 0.499 518 R N -0.053 120.632 120.500 0.309 0.000 2.276 518 R HA 0.422 4.733 4.340 -0.048 0.000 0.195 518 R C 0.606 176.907 176.300 0.002 0.000 0.908 518 R CA 0.195 56.419 56.100 0.206 0.000 1.083 518 R CB 1.302 31.636 30.300 0.057 0.000 1.182 518 R HN 0.136 nan 8.270 nan 0.000 0.608 519 L N -0.146 120.680 121.223 -0.661 0.000 2.479 519 L HA 0.376 4.687 4.340 -0.048 0.000 0.255 519 L C -2.110 173.475 176.870 -2.142 0.000 1.026 519 L CA -2.131 51.895 54.840 -1.355 0.000 0.842 519 L CB 2.908 44.459 42.059 -0.847 0.000 1.444 519 L HN -0.300 nan 8.230 nan 0.000 0.409 520 P HA -0.100 nan 4.420 nan 0.000 0.223 520 P C -0.944 175.982 177.300 -0.624 0.000 1.144 520 P CA 1.342 63.505 63.100 -1.561 0.000 0.783 520 P CB 0.046 31.019 31.700 -1.212 0.000 0.771 521 F N -5.190 114.378 119.950 -0.636 0.000 2.804 521 F HA 0.343 4.841 4.527 -0.048 0.000 0.320 521 F C -1.816 173.840 175.800 -0.240 0.000 1.135 521 F CA -1.818 55.999 58.000 -0.306 0.000 0.947 521 F CB 0.157 39.085 39.000 -0.120 0.000 1.260 521 F HN -0.430 nan 8.300 nan 0.000 0.447 522 D N 3.372 123.835 120.400 0.105 0.000 2.317 522 D HA 0.405 5.017 4.640 -0.048 0.000 0.252 522 D C -1.884 174.547 176.300 0.220 0.000 1.174 522 D CA -2.256 51.774 54.000 0.050 0.000 0.866 522 D CB 1.962 42.788 40.800 0.043 0.000 1.127 522 D HN 0.288 nan 8.370 nan 0.000 0.467 523 P HA -0.183 nan 4.420 nan 0.000 0.216 523 P C 1.116 178.506 177.300 0.150 0.000 1.153 523 P CA 1.173 64.404 63.100 0.219 0.000 0.858 523 P CB 0.231 31.989 31.700 0.098 0.000 0.789 524 E N -0.169 120.086 120.200 0.091 0.000 2.114 524 E HA -0.272 4.049 4.350 -0.048 0.000 0.199 524 E C 1.606 178.250 176.600 0.073 0.000 1.008 524 E CA 1.411 57.847 56.400 0.061 0.000 0.810 524 E CB -0.072 29.654 29.700 0.043 0.000 0.739 524 E HN 0.079 nan 8.360 nan 0.000 0.456 525 K N 0.328 120.799 120.400 0.117 0.000 1.965 525 K HA -0.060 4.231 4.320 -0.048 0.000 0.214 525 K C 2.272 178.979 176.600 0.179 0.000 1.042 525 K CA 1.057 57.439 56.287 0.159 0.000 0.950 525 K CB -1.107 31.503 32.500 0.183 0.000 0.733 525 K HN 0.201 nan 8.250 nan 0.000 0.441 526 A N 2.831 125.747 122.820 0.160 0.000 1.985 526 A HA -0.286 4.005 4.320 -0.048 0.000 0.223 526 A C 1.939 179.567 177.584 0.073 0.000 1.189 526 A CA 2.351 54.426 52.037 0.064 0.000 0.658 526 A CB -0.744 18.148 19.000 -0.180 0.000 0.820 526 A HN 0.381 nan 8.150 nan 0.000 0.464 527 N N -0.197 118.539 118.700 0.059 0.000 2.309 527 N HA -0.018 4.693 4.740 -0.048 0.000 0.182 527 N C 1.744 177.235 175.510 -0.032 0.000 1.018 527 N CA 1.341 54.398 53.050 0.011 0.000 0.876 527 N CB -0.507 37.987 38.487 0.012 0.000 0.972 527 N HN 0.540 nan 8.380 nan 0.000 0.434 528 A N -0.907 121.877 122.820 -0.060 0.000 2.014 528 A HA -0.021 4.270 4.320 -0.048 0.000 0.218 528 A C 1.743 179.087 177.584 -0.400 0.000 1.163 528 A CA 0.644 52.536 52.037 -0.241 0.000 0.652 528 A CB -0.503 18.315 19.000 -0.304 0.000 0.808 528 A HN 0.352 nan 8.150 nan 0.000 0.449 529 W N -1.371 119.960 121.300 0.052 0.000 2.699 529 W HA 0.314 4.946 4.660 -0.047 0.000 0.267 529 W C 0.872 177.482 176.519 0.151 0.000 1.182 529 W CA -0.497 56.929 57.345 0.135 0.000 1.453 529 W CB 0.023 29.598 29.460 0.192 0.000 1.054 529 W HN -0.022 nan 8.180 nan 0.000 0.595 530 M N 2.766 122.509 119.600 0.238 0.000 2.250 530 M HA 0.064 4.515 4.480 -0.048 0.000 0.325 530 M C -1.699 174.579 176.300 -0.038 0.000 1.084 530 M CA -1.385 53.920 55.300 0.009 0.000 1.161 530 M CB -0.820 31.738 32.600 -0.071 0.000 1.481 530 M HN -0.201 nan 8.290 nan 0.000 0.449 531 P HA 0.234 nan 4.420 nan 0.000 0.282 531 P C -0.691 176.444 177.300 -0.275 0.000 1.287 531 P CA -0.575 62.393 63.100 -0.219 0.000 0.792 531 P CB 0.653 32.231 31.700 -0.202 0.000 1.163 532 V N 1.786 121.436 119.914 -0.439 0.000 2.521 532 V HA -0.050 4.042 4.120 -0.048 0.000 0.286 532 V C 1.198 177.197 176.094 -0.160 0.000 1.034 532 V CA 0.890 62.884 62.300 -0.511 0.000 1.045 532 V CB -0.293 31.275 31.823 -0.426 0.000 0.974 532 V HN 0.502 nan 8.190 nan 0.000 0.480 533 D N 2.748 123.122 120.400 -0.042 0.000 2.162 533 D HA 0.007 4.618 4.640 -0.048 0.000 0.203 533 D C 0.731 177.036 176.300 0.009 0.000 0.967 533 D CA 1.018 55.014 54.000 -0.006 0.000 0.840 533 D CB 0.200 41.000 40.800 -0.001 0.000 0.972 533 D HN 0.531 nan 8.370 nan 0.000 0.482 534 Q N -0.843 118.979 119.800 0.037 0.000 2.271 534 Q HA 0.293 4.605 4.340 -0.048 0.000 0.268 534 Q C -2.013 174.051 176.000 0.106 0.000 1.021 534 Q CA -0.698 55.135 55.803 0.049 0.000 0.802 534 Q CB 1.210 29.955 28.738 0.011 0.000 1.282 534 Q HN 0.073 nan 8.270 nan 0.000 0.431 535 Y N 4.584 124.805 120.300 -0.132 0.000 2.464 535 Y HA 0.517 5.039 4.550 -0.047 0.000 0.326 535 Y C -1.242 174.544 175.900 -0.189 0.000 0.969 535 Y CA -1.348 56.607 58.100 -0.243 0.000 1.270 535 Y CB 0.496 38.634 38.460 -0.537 0.000 1.103 535 Y HN 0.618 nan 8.280 nan 0.000 0.491 536 I N 5.443 125.894 120.570 -0.197 0.000 2.416 536 I HA 0.605 4.746 4.170 -0.048 0.000 0.288 536 I C 0.797 176.667 176.117 -0.413 0.000 1.051 536 I CA 0.605 61.806 61.300 -0.166 0.000 1.375 536 I CB 0.677 38.645 38.000 -0.053 0.000 1.407 536 I HN 0.728 nan 8.210 nan 0.000 0.516 537 G N 3.244 111.836 108.800 -0.345 0.000 2.510 537 G HA2 0.642 4.573 3.960 -0.048 0.000 0.277 537 G HA3 0.642 4.573 3.960 -0.048 0.000 0.277 537 G C -0.860 173.897 174.900 -0.239 0.000 1.223 537 G CA -0.095 44.785 45.100 -0.367 0.000 0.887 537 G HN 0.791 nan 8.290 nan 0.000 0.485 538 G N -1.773 106.923 108.800 -0.173 0.000 2.735 538 G HA2 0.560 4.492 3.960 -0.048 0.000 0.301 538 G HA3 0.560 4.492 3.960 -0.048 0.000 0.301 538 G C 0.406 175.239 174.900 -0.112 0.000 1.279 538 G CA 0.396 45.420 45.100 -0.126 0.000 1.019 538 G HN 1.008 nan 8.290 nan 0.000 0.497 539 V N 0.450 120.302 119.914 -0.104 0.000 3.125 539 V HA 0.011 4.103 4.120 -0.048 0.000 0.249 539 V C 2.533 178.587 176.094 -0.067 0.000 1.113 539 V CA 1.375 63.622 62.300 -0.087 0.000 1.106 539 V CB 0.093 31.865 31.823 -0.086 0.000 0.768 539 V HN 0.833 nan 8.190 nan 0.000 0.468 540 E N 0.481 120.625 120.200 -0.093 0.000 2.333 540 E HA -0.278 4.043 4.350 -0.048 0.000 0.200 540 E C 0.989 177.513 176.600 -0.127 0.000 1.010 540 E CA 1.412 57.743 56.400 -0.115 0.000 0.841 540 E CB -0.516 29.096 29.700 -0.147 0.000 0.757 540 E HN 0.647 nan 8.360 nan 0.000 0.508 541 H N -0.011 119.073 119.070 0.024 0.000 2.524 541 H HA 0.453 4.980 4.556 -0.047 0.000 0.299 541 H C 1.353 176.641 175.328 -0.068 0.000 1.074 541 H CA 0.310 56.380 56.048 0.035 0.000 1.115 541 H CB 0.358 30.209 29.762 0.147 0.000 1.522 541 H HN 0.310 nan 8.280 nan 0.000 0.543 542 A N 0.730 123.536 122.820 -0.023 0.000 1.828 542 A HA -0.128 4.163 4.320 -0.048 0.000 0.215 542 A C 1.974 179.429 177.584 -0.214 0.000 1.203 542 A CA 1.894 53.884 52.037 -0.078 0.000 0.614 542 A CB -0.767 18.185 19.000 -0.079 0.000 0.844 542 A HN 0.253 nan 8.150 nan 0.000 0.445 543 V N -2.563 117.107 119.914 -0.407 0.000 3.416 543 V HA 0.443 4.535 4.120 -0.048 0.000 0.334 543 V C 0.862 176.386 176.094 -0.951 0.000 1.271 543 V CA 0.374 62.196 62.300 -0.796 0.000 1.274 543 V CB -1.103 29.914 31.823 -1.344 0.000 1.153 543 V HN 0.397 nan 8.190 nan 0.000 0.433 544 L N -1.091 119.711 121.223 -0.702 0.000 3.660 544 L HA 0.419 4.730 4.340 -0.048 0.000 0.198 544 L C 2.214 178.617 176.870 -0.778 0.000 1.268 544 L CA 0.362 54.617 54.840 -0.975 0.000 1.618 544 L CB -0.596 41.060 42.059 -0.671 0.000 1.863 544 L HN 0.264 nan 8.230 nan 0.000 0.860 545 H N 0.944 119.747 119.070 -0.445 0.000 2.319 545 H HA -0.084 4.444 4.556 -0.047 0.000 0.299 545 H C 1.841 177.186 175.328 0.029 0.000 1.092 545 H CA 1.979 57.959 56.048 -0.114 0.000 1.302 545 H CB -0.233 29.481 29.762 -0.080 0.000 1.373 545 H HN 0.157 nan 8.280 nan 0.000 0.497 546 L N -0.243 120.916 121.223 -0.107 0.000 2.549 546 L HA -0.083 4.229 4.340 -0.048 0.000 0.230 546 L C 1.753 178.644 176.870 0.035 0.000 1.162 546 L CA 0.280 55.134 54.840 0.023 0.000 0.834 546 L CB -0.184 41.940 42.059 0.108 0.000 0.947 546 L HN 0.323 nan 8.230 nan 0.000 0.452 547 L N -2.086 119.027 121.223 -0.183 0.000 2.488 547 L HA 0.074 4.385 4.340 -0.048 0.000 0.186 547 L C 2.145 178.944 176.870 -0.119 0.000 1.124 547 L CA 1.092 55.806 54.840 -0.211 0.000 0.838 547 L CB -0.731 41.060 42.059 -0.446 0.000 1.107 547 L HN -0.085 nan 8.230 nan 0.000 0.494 548 Y N 0.666 120.824 120.300 -0.238 0.000 2.173 548 Y HA -0.256 4.265 4.550 -0.049 0.000 0.282 548 Y C 2.816 178.787 175.900 0.119 0.000 1.192 548 Y CA 1.571 59.566 58.100 -0.175 0.000 1.176 548 Y CB -1.561 36.578 38.460 -0.535 0.000 0.969 548 Y HN 0.239 nan 8.280 nan 0.000 0.519 549 S N -0.275 115.511 115.700 0.142 0.000 2.382 549 S HA -0.176 4.266 4.470 -0.048 0.000 0.228 549 S C 2.028 176.670 174.600 0.070 0.000 1.027 549 S CA 1.312 59.578 58.200 0.110 0.000 0.991 549 S CB -0.203 62.953 63.200 -0.074 0.000 0.823 549 S HN 0.476 nan 8.310 nan 0.000 0.469 550 R N 0.443 120.944 120.500 0.002 0.000 2.062 550 R HA -0.026 4.285 4.340 -0.048 0.000 0.231 550 R C 2.169 178.508 176.300 0.064 0.000 1.136 550 R CA 1.491 57.563 56.100 -0.047 0.000 0.948 550 R CB -0.744 29.515 30.300 -0.070 0.000 0.845 550 R HN 0.442 nan 8.270 nan 0.000 0.430 551 F N 1.576 121.518 119.950 -0.014 0.000 2.063 551 F HA -0.258 4.240 4.527 -0.048 0.000 0.298 551 F C 1.888 177.648 175.800 -0.067 0.000 1.109 551 F CA 1.251 59.180 58.000 -0.118 0.000 1.212 551 F CB -0.825 38.153 39.000 -0.038 0.000 0.973 551 F HN -0.127 nan 8.300 nan 0.000 0.480 552 F N 1.109 120.776 119.950 -0.471 0.000 2.120 552 F HA -0.248 4.251 4.527 -0.047 0.000 0.300 552 F C 2.625 178.342 175.800 -0.139 0.000 1.095 552 F CA 2.414 60.154 58.000 -0.432 0.000 1.249 552 F CB -1.117 37.817 39.000 -0.111 0.000 0.995 552 F HN 0.008 nan 8.300 nan 0.000 0.480 553 T N -0.442 114.182 114.554 0.118 0.000 2.777 553 T HA -0.164 4.157 4.350 -0.048 0.000 0.266 553 T C 1.945 176.673 174.700 0.047 0.000 1.040 553 T CA 1.349 63.496 62.100 0.079 0.000 1.141 553 T CB -0.163 68.677 68.868 -0.047 0.000 0.868 553 T HN 0.186 nan 8.240 nan 0.000 0.444 554 K N 0.622 121.036 120.400 0.024 0.000 2.009 554 K HA -0.104 4.187 4.320 -0.048 0.000 0.210 554 K C 2.028 178.723 176.600 0.158 0.000 1.049 554 K CA 1.579 57.950 56.287 0.140 0.000 0.929 554 K CB -0.460 32.152 32.500 0.186 0.000 0.714 554 K HN 0.324 nan 8.250 nan 0.000 0.440 555 F N 1.929 121.759 119.950 -0.200 0.000 2.126 555 F HA -0.160 4.339 4.527 -0.047 0.000 0.299 555 F C 1.734 177.500 175.800 -0.056 0.000 1.096 555 F CA 1.293 59.205 58.000 -0.146 0.000 1.255 555 F CB -0.238 38.439 39.000 -0.538 0.000 0.997 555 F HN -0.089 nan 8.300 nan 0.000 0.479 556 L N -0.437 120.635 121.223 -0.251 0.000 2.201 556 L HA -0.223 4.088 4.340 -0.048 0.000 0.212 556 L C 2.649 179.472 176.870 -0.078 0.000 1.105 556 L CA 1.533 56.239 54.840 -0.223 0.000 0.775 556 L CB -0.950 41.173 42.059 0.106 0.000 0.913 556 L HN 0.394 nan 8.230 nan 0.000 0.440 557 H N 0.023 119.031 119.070 -0.103 0.000 2.333 557 H HA -0.163 4.364 4.556 -0.048 0.000 0.302 557 H C 1.262 176.542 175.328 -0.079 0.000 1.075 557 H CA 1.215 57.232 56.048 -0.052 0.000 1.348 557 H CB 0.385 30.140 29.762 -0.013 0.000 1.393 557 H HN 0.289 nan 8.280 nan 0.000 0.509 558 D N 0.704 121.007 120.400 -0.161 0.000 2.403 558 D HA -0.072 4.539 4.640 -0.048 0.000 0.227 558 D C 1.527 177.679 176.300 -0.246 0.000 0.995 558 D CA 0.496 54.358 54.000 -0.230 0.000 0.928 558 D CB 0.201 40.963 40.800 -0.063 0.000 0.887 558 D HN 0.487 nan 8.370 nan 0.000 0.529 559 L N -0.891 120.162 121.223 -0.282 0.000 2.693 559 L HA 0.225 4.536 4.340 -0.048 0.000 0.235 559 L C 1.219 178.012 176.870 -0.129 0.000 1.127 559 L CA 0.005 54.697 54.840 -0.245 0.000 0.914 559 L CB 0.264 42.117 42.059 -0.343 0.000 1.193 559 L HN -0.011 nan 8.230 nan 0.000 0.502 560 G N 0.680 109.425 108.800 -0.092 0.000 2.221 560 G HA2 -0.321 3.610 3.960 -0.048 0.000 0.265 560 G HA3 -0.321 3.610 3.960 -0.048 0.000 0.265 560 G C 0.681 175.595 174.900 0.023 0.000 1.041 560 G CA 0.632 45.722 45.100 -0.017 0.000 0.807 560 G HN 0.359 nan 8.290 nan 0.000 0.502 561 M N -1.289 118.335 119.600 0.040 0.000 2.461 561 M HA 0.248 4.699 4.480 -0.048 0.000 0.255 561 M C 0.287 176.723 176.300 0.228 0.000 1.137 561 M CA 0.783 56.127 55.300 0.073 0.000 1.086 561 M CB 0.967 33.538 32.600 -0.049 0.000 1.356 561 M HN 0.058 nan 8.290 nan 0.000 0.487 562 V N 0.597 120.631 119.914 0.199 0.000 2.488 562 V HA 0.157 4.248 4.120 -0.048 0.000 0.293 562 V C 0.624 176.745 176.094 0.045 0.000 1.027 562 V CA -0.774 61.610 62.300 0.141 0.000 0.862 562 V CB 1.806 33.700 31.823 0.119 0.000 1.008 562 V HN 0.194 nan 8.190 nan 0.000 0.428 563 K N 3.625 124.024 120.400 -0.001 0.000 2.044 563 K HA -0.141 4.150 4.320 -0.048 0.000 0.210 563 K C 1.047 177.467 176.600 -0.300 0.000 1.049 563 K CA 2.086 58.328 56.287 -0.075 0.000 0.927 563 K CB 0.091 32.566 32.500 -0.041 0.000 0.713 563 K HN 0.718 nan 8.250 nan 0.000 0.443 564 V N -0.782 118.977 119.914 -0.260 0.000 3.611 564 V HA 0.011 4.102 4.120 -0.048 0.000 0.296 564 V C 0.552 176.370 176.094 -0.461 0.000 1.091 564 V CA 0.232 62.346 62.300 -0.309 0.000 1.103 564 V CB 1.020 32.705 31.823 -0.229 0.000 1.157 564 V HN 0.361 nan 8.190 nan 0.000 0.471 565 E N -1.341 118.652 120.200 -0.344 0.000 2.603 565 E HA 0.240 4.561 4.350 -0.048 0.000 0.224 565 E C -0.486 175.989 176.600 -0.208 0.000 0.896 565 E CA -0.122 56.119 56.400 -0.264 0.000 1.224 565 E CB 0.773 30.369 29.700 -0.172 0.000 1.206 565 E HN 0.761 nan 8.360 nan 0.000 0.576 566 E N 1.433 121.477 120.200 -0.259 0.000 2.244 566 E HA 0.148 4.469 4.350 -0.048 0.000 0.260 566 E C -1.997 174.359 176.600 -0.406 0.000 0.884 566 E CA -1.768 54.444 56.400 -0.313 0.000 0.777 566 E CB 2.080 31.610 29.700 -0.284 0.000 1.197 566 E HN -0.036 nan 8.360 nan 0.000 0.416 567 P HA -0.046 nan 4.420 nan 0.000 0.217 567 P C 0.093 176.845 177.300 -0.913 0.000 1.151 567 P CA 0.822 63.307 63.100 -1.025 0.000 0.828 567 P CB 0.224 30.843 31.700 -1.802 0.000 0.788 568 F N 0.607 120.363 119.950 -0.323 0.000 2.332 568 F HA 0.427 4.925 4.527 -0.047 0.000 0.368 568 F C 1.874 177.734 175.800 0.100 0.000 1.110 568 F CA -1.069 56.800 58.000 -0.218 0.000 1.087 568 F CB 0.552 39.389 39.000 -0.272 0.000 1.235 568 F HN -0.135 nan 8.300 nan 0.000 0.470 569 Q N 2.683 122.563 119.800 0.133 0.000 1.990 569 Q HA 0.078 4.390 4.340 -0.048 0.000 0.200 569 Q C 0.942 177.091 176.000 0.249 0.000 0.980 569 Q CA 1.130 57.015 55.803 0.137 0.000 0.832 569 Q CB 0.009 28.760 28.738 0.021 0.000 0.897 569 Q HN 0.843 nan 8.270 nan 0.000 0.427 570 G N 0.751 109.639 108.800 0.145 0.000 2.356 570 G HA2 0.464 4.396 3.960 -0.048 0.000 0.322 570 G HA3 0.464 4.396 3.960 -0.048 0.000 0.322 570 G C -1.603 173.295 174.900 -0.002 0.000 1.125 570 G CA -0.492 44.670 45.100 0.102 0.000 0.885 570 G HN 0.230 nan 8.290 nan 0.000 0.467 571 L N 3.113 124.249 121.223 -0.144 0.000 2.433 571 L HA 0.530 4.841 4.340 -0.048 0.000 0.256 571 L C -1.281 175.461 176.870 -0.213 0.000 1.063 571 L CA -1.022 53.592 54.840 -0.376 0.000 0.922 571 L CB 0.648 42.035 42.059 -1.119 0.000 1.238 571 L HN 0.418 nan 8.230 nan 0.000 0.466 572 F N 3.719 123.544 119.950 -0.209 0.000 2.411 572 F HA 0.546 5.044 4.527 -0.048 0.000 0.355 572 F C 0.876 176.567 175.800 -0.182 0.000 1.117 572 F CA -0.101 57.800 58.000 -0.164 0.000 1.139 572 F CB 0.850 39.782 39.000 -0.114 0.000 1.120 572 F HN 0.615 nan 8.300 nan 0.000 0.493 573 T N 3.211 117.271 114.554 -0.824 0.000 2.881 573 T HA 0.560 4.881 4.350 -0.048 0.000 0.278 573 T C -0.461 173.884 174.700 -0.592 0.000 0.982 573 T CA -0.898 60.869 62.100 -0.555 0.000 0.989 573 T CB 1.625 70.248 68.868 -0.407 0.000 1.058 573 T HN 0.529 nan 8.240 nan 0.000 0.529 574 Q N -0.666 118.982 119.800 -0.255 0.000 2.528 574 Q HA 0.638 4.949 4.340 -0.048 0.000 0.289 574 Q C -0.104 175.846 176.000 -0.083 0.000 1.091 574 Q CA -0.828 54.921 55.803 -0.091 0.000 0.797 574 Q CB 2.181 30.926 28.738 0.012 0.000 1.466 574 Q HN 1.037 nan 8.270 nan 0.000 0.436 575 G N 0.192 108.978 108.800 -0.024 0.000 2.471 575 G HA2 0.604 4.535 3.960 -0.048 0.000 0.332 575 G HA3 0.604 4.535 3.960 -0.048 0.000 0.332 575 G C -0.259 174.645 174.900 0.007 0.000 1.176 575 G CA -0.693 44.395 45.100 -0.020 0.000 0.949 575 G HN 0.363 nan 8.290 nan 0.000 0.488 576 M N 0.828 120.433 119.600 0.008 0.000 2.238 576 M HA 0.185 4.637 4.480 -0.048 0.000 0.347 576 M C -0.030 176.296 176.300 0.043 0.000 1.173 576 M CA -0.261 55.054 55.300 0.025 0.000 1.147 576 M CB 1.293 33.907 32.600 0.023 0.000 1.547 576 M HN 0.044 nan 8.290 nan 0.000 0.455 577 V N 3.849 123.794 119.914 0.052 0.000 2.732 577 V HA 0.355 4.447 4.120 -0.048 0.000 0.297 577 V C -0.010 176.133 176.094 0.082 0.000 1.060 577 V CA -0.517 61.832 62.300 0.081 0.000 1.038 577 V CB 1.179 33.039 31.823 0.062 0.000 1.003 577 V HN 0.595 nan 8.190 nan 0.000 0.481 578 L N 2.594 123.887 121.223 0.118 0.000 2.327 578 L HA 0.965 5.277 4.340 -0.048 0.000 0.258 578 L C -0.117 176.856 176.870 0.171 0.000 1.024 578 L CA -0.297 54.603 54.840 0.101 0.000 0.825 578 L CB 2.062 44.142 42.059 0.035 0.000 1.386 578 L HN 0.868 nan 8.230 nan 0.000 0.417 579 A N -0.160 122.753 122.820 0.155 0.000 2.549 579 A HA 0.651 4.942 4.320 -0.048 0.000 0.297 579 A C -2.135 175.602 177.584 0.257 0.000 1.061 579 A CA -0.583 51.619 52.037 0.275 0.000 0.690 579 A CB 0.569 19.743 19.000 0.290 0.000 1.287 579 A HN 0.533 nan 8.150 nan 0.000 0.402 580 W N 1.522 123.011 121.300 0.315 0.000 2.264 580 W HA 0.429 5.060 4.660 -0.048 0.000 0.331 580 W C 0.444 177.267 176.519 0.506 0.000 1.364 580 W CA 1.208 58.792 57.345 0.399 0.000 1.253 580 W CB 0.956 30.655 29.460 0.399 0.000 1.215 580 W HN 0.592 nan 8.180 nan 0.000 0.561 581 T N 3.382 118.297 114.554 0.602 0.000 2.912 581 T HA 0.084 4.405 4.350 -0.048 0.000 0.288 581 T C -0.814 173.847 174.700 -0.065 0.000 1.030 581 T CA -0.798 61.488 62.100 0.310 0.000 1.020 581 T CB 1.376 70.381 68.868 0.228 0.000 1.056 581 T HN 0.155 nan 8.240 nan 0.000 0.480 582 D N 1.155 121.111 120.400 -0.741 0.000 2.325 582 D HA 0.186 4.797 4.640 -0.048 0.000 0.251 582 D C -0.416 175.501 176.300 -0.639 0.000 1.196 582 D CA -0.168 53.118 54.000 -1.190 0.000 0.866 582 D CB 0.398 40.600 40.800 -0.996 0.000 1.101 582 D HN 0.444 nan 8.370 nan 0.000 0.476 583 F N 1.870 121.524 119.950 -0.493 0.000 2.647 583 F HA 0.290 4.795 4.527 -0.037 0.000 0.300 583 F C 1.397 176.997 175.800 -0.334 0.000 1.106 583 F CA 0.356 58.177 58.000 -0.298 0.000 1.313 583 F CB 0.545 39.443 39.000 -0.170 0.000 1.007 583 F HN 0.587 nan 8.300 nan 0.000 0.536 584 G N 1.005 109.532 108.800 -0.456 0.000 2.592 584 G HA2 -0.105 3.826 3.960 -0.048 0.000 0.684 584 G HA3 -0.105 3.826 3.960 -0.048 0.000 0.684 584 G C -3.127 171.236 174.900 -0.895 0.000 1.291 584 G CA -1.339 43.379 45.100 -0.638 0.000 0.891 584 G HN -0.106 nan 8.290 nan 0.000 0.544 585 P HA 0.591 nan 4.420 nan 0.000 0.276 585 P C -0.083 177.181 177.300 -0.060 0.000 1.252 585 P CA 0.185 63.134 63.100 -0.252 0.000 0.802 585 P CB 1.680 33.370 31.700 -0.017 0.000 1.035 586 V N -2.541 117.408 119.914 0.057 0.000 3.087 586 V HA 0.520 4.612 4.120 -0.048 0.000 0.306 586 V C -0.925 175.214 176.094 0.074 0.000 1.187 586 V CA -1.021 61.312 62.300 0.056 0.000 0.999 586 V CB 2.234 34.099 31.823 0.070 0.000 1.049 586 V HN 0.413 nan 8.190 nan 0.000 0.431 587 E N 2.105 122.339 120.200 0.056 0.000 2.173 587 E HA 0.516 4.837 4.350 -0.048 0.000 0.249 587 E C -0.927 175.703 176.600 0.051 0.000 0.923 587 E CA -0.597 55.836 56.400 0.054 0.000 0.754 587 E CB 1.914 31.640 29.700 0.042 0.000 1.177 587 E HN 0.602 nan 8.360 nan 0.000 0.430 588 V N 2.876 122.825 119.914 0.059 0.000 2.488 588 V HA 0.131 4.222 4.120 -0.048 0.000 0.277 588 V C 0.153 176.273 176.094 0.043 0.000 1.046 588 V CA -0.096 62.235 62.300 0.053 0.000 0.986 588 V CB 0.991 32.850 31.823 0.060 0.000 0.989 588 V HN 0.601 nan 8.190 nan 0.000 0.475 589 E N 4.095 124.317 120.200 0.037 0.000 2.460 589 E HA 0.556 4.877 4.350 -0.048 0.000 0.249 589 E C 0.370 176.986 176.600 0.028 0.000 0.962 589 E CA 0.511 56.929 56.400 0.031 0.000 0.787 589 E CB 0.854 30.571 29.700 0.028 0.000 1.341 589 E HN 0.876 nan 8.360 nan 0.000 0.407 590 G N 3.423 112.240 108.800 0.027 0.000 2.557 590 G HA2 -0.356 3.575 3.960 -0.048 0.000 0.292 590 G HA3 -0.356 3.575 3.960 -0.048 0.000 0.292 590 G C 0.777 175.693 174.900 0.026 0.000 1.162 590 G CA 0.583 45.697 45.100 0.025 0.000 0.964 590 G HN 1.224 nan 8.290 nan 0.000 0.541 591 S N -0.328 115.387 115.700 0.025 0.000 2.568 591 S HA 0.612 5.054 4.470 -0.048 0.000 0.232 591 S C 0.220 174.836 174.600 0.026 0.000 0.975 591 S CA 0.670 58.885 58.200 0.025 0.000 0.949 591 S CB 0.698 63.911 63.200 0.022 0.000 0.829 591 S HN 1.244 nan 8.310 nan 0.000 0.479 592 V N 1.635 121.565 119.914 0.027 0.000 2.435 592 V HA 0.523 4.614 4.120 -0.048 0.000 0.290 592 V C -0.404 175.708 176.094 0.032 0.000 1.030 592 V CA -0.724 61.592 62.300 0.027 0.000 0.881 592 V CB 1.708 33.545 31.823 0.024 0.000 0.983 592 V HN 0.244 nan 8.190 nan 0.000 0.445 593 V N 5.242 125.175 119.914 0.032 0.000 2.276 593 V HA 0.378 4.469 4.120 -0.048 0.000 0.268 593 V C 0.396 176.510 176.094 0.032 0.000 1.032 593 V CA -0.588 61.734 62.300 0.038 0.000 0.810 593 V CB 0.791 32.640 31.823 0.043 0.000 1.060 593 V HN 0.812 nan 8.190 nan 0.000 0.446 594 R N 3.103 123.621 120.500 0.031 0.000 2.590 594 R HA 0.458 4.770 4.340 -0.048 0.000 0.274 594 R C -0.715 175.600 176.300 0.025 0.000 1.061 594 R CA -0.000 56.115 56.100 0.025 0.000 1.081 594 R CB 0.583 30.897 30.300 0.024 0.000 0.984 594 R HN 0.578 nan 8.270 nan 0.000 0.448 595 L N 6.567 127.801 121.223 0.019 0.000 2.316 595 L HA 0.424 4.735 4.340 -0.048 0.000 0.280 595 L C -1.911 174.965 176.870 0.010 0.000 1.006 595 L CA -2.196 52.653 54.840 0.015 0.000 0.836 595 L CB 1.910 43.977 42.059 0.014 0.000 1.221 595 L HN 0.537 nan 8.230 nan 0.000 0.418 596 P HA 0.046 nan 4.420 nan 0.000 0.271 596 P C 0.113 177.411 177.300 -0.003 0.000 1.218 596 P CA -0.274 62.826 63.100 0.001 0.000 0.780 596 P CB 1.197 32.895 31.700 -0.004 0.000 0.901 597 E N 2.506 122.706 120.200 -0.001 0.000 2.130 597 E HA -0.157 4.164 4.350 -0.048 0.000 0.196 597 E C -0.778 175.818 176.600 -0.007 0.000 0.998 597 E CA 1.796 58.196 56.400 -0.001 0.000 0.806 597 E CB -2.055 27.645 29.700 0.000 0.000 0.738 597 E HN 0.508 nan 8.360 nan 0.000 0.459 598 P HA -0.096 nan 4.420 nan 0.000 0.215 598 P C 1.470 178.750 177.300 -0.035 0.000 1.153 598 P CA 1.579 64.660 63.100 -0.031 0.000 0.853 598 P CB -0.014 31.660 31.700 -0.043 0.000 0.788 599 T N -0.990 113.544 114.554 -0.033 0.000 2.684 599 T HA -0.099 4.222 4.350 -0.048 0.000 0.253 599 T C 1.846 176.566 174.700 0.033 0.000 1.057 599 T CA 0.861 62.953 62.100 -0.013 0.000 1.162 599 T CB -0.659 68.192 68.868 -0.028 0.000 0.868 599 T HN 0.058 nan 8.240 nan 0.000 0.409 600 R N 0.740 121.253 120.500 0.021 0.000 2.178 600 R HA -0.167 4.144 4.340 -0.048 0.000 0.257 600 R C 2.279 178.599 176.300 0.033 0.000 1.163 600 R CA 1.615 57.729 56.100 0.024 0.000 0.981 600 R CB -0.630 29.678 30.300 0.014 0.000 0.878 600 R HN 0.441 nan 8.270 nan 0.000 0.454 601 I N -0.036 120.550 120.570 0.026 0.000 2.202 601 I HA -0.236 3.905 4.170 -0.048 0.000 0.242 601 I C 2.541 178.687 176.117 0.049 0.000 1.091 601 I CA 1.264 62.580 61.300 0.027 0.000 1.368 601 I CB -0.235 37.771 38.000 0.010 0.000 1.058 601 I HN 0.214 nan 8.210 nan 0.000 0.410 602 R N 0.396 120.934 120.500 0.062 0.000 2.148 602 R HA -0.052 4.259 4.340 -0.048 0.000 0.227 602 R C 2.103 178.575 176.300 0.286 0.000 1.103 602 R CA 0.927 57.091 56.100 0.107 0.000 0.983 602 R CB -0.099 30.203 30.300 0.003 0.000 0.874 602 R HN 0.372 nan 8.270 nan 0.000 0.451 603 L N 0.748 122.110 121.223 0.233 0.000 2.478 603 L HA -0.012 4.299 4.340 -0.048 0.000 0.223 603 L C -0.026 176.874 176.870 0.050 0.000 1.140 603 L CA 0.441 55.349 54.840 0.112 0.000 0.842 603 L CB -0.241 41.818 42.059 0.001 0.000 0.953 603 L HN 0.257 nan 8.230 nan 0.000 0.452 604 E N 1.352 121.591 120.200 0.065 0.000 2.230 604 E HA -0.227 4.094 4.350 -0.048 0.000 0.206 604 E C -0.386 176.223 176.600 0.016 0.000 1.309 604 E CA 0.467 56.890 56.400 0.039 0.000 0.697 604 E CB -1.390 28.337 29.700 0.045 0.000 1.146 604 E HN 0.603 nan 8.360 nan 0.000 0.363 605 I N -4.087 116.490 120.570 0.012 0.000 3.174 605 I HA 0.561 4.702 4.170 -0.048 0.000 0.313 605 I C -2.025 174.096 176.117 0.008 0.000 1.155 605 I CA -2.208 59.094 61.300 0.003 0.000 0.977 605 I CB 2.173 40.168 38.000 -0.008 0.000 1.248 605 I HN -0.249 nan 8.210 nan 0.000 0.453 606 P HA 0.104 nan 4.420 nan 0.000 0.218 606 P C 0.074 177.379 177.300 0.008 0.000 1.151 606 P CA 0.715 63.820 63.100 0.009 0.000 0.850 606 P CB 0.225 31.930 31.700 0.008 0.000 0.801 607 E N 0.515 120.718 120.200 0.006 0.000 2.442 607 E HA 0.098 4.420 4.350 -0.048 0.000 0.262 607 E C 0.333 176.938 176.600 0.008 0.000 1.004 607 E CA 0.497 56.901 56.400 0.007 0.000 0.928 607 E CB 0.011 29.714 29.700 0.005 0.000 0.937 607 E HN 0.047 nan 8.360 nan 0.000 0.446 608 S N 1.279 116.984 115.700 0.010 0.000 2.754 608 S HA 0.454 4.896 4.470 -0.048 0.000 0.247 608 S C -0.593 174.015 174.600 0.013 0.000 1.031 608 S CA -0.183 58.024 58.200 0.011 0.000 1.014 608 S CB 0.887 64.094 63.200 0.011 0.000 0.918 608 S HN 0.553 nan 8.310 nan 0.000 0.519 609 A N 1.642 124.470 122.820 0.013 0.000 2.522 609 A HA 0.603 4.894 4.320 -0.048 0.000 0.290 609 A C -0.616 176.977 177.584 0.015 0.000 1.047 609 A CA -0.629 51.417 52.037 0.015 0.000 0.935 609 A CB 0.456 19.465 19.000 0.015 0.000 1.451 609 A HN 0.278 nan 8.150 nan 0.000 0.398 610 L N 0.951 122.185 121.223 0.018 0.000 2.693 610 L HA 0.885 5.197 4.340 -0.048 0.000 0.253 610 L C 0.911 177.794 176.870 0.022 0.000 1.155 610 L CA -0.707 54.144 54.840 0.018 0.000 1.026 610 L CB 1.267 43.337 42.059 0.018 0.000 1.817 610 L HN 0.851 nan 8.230 nan 0.000 0.556 611 S N -1.750 113.964 115.700 0.024 0.000 2.651 611 S HA 0.434 4.875 4.470 -0.048 0.000 0.279 611 S C 0.242 174.861 174.600 0.032 0.000 1.148 611 S CA -0.817 57.399 58.200 0.027 0.000 0.837 611 S CB 1.303 64.516 63.200 0.023 0.000 1.138 611 S HN 0.507 nan 8.310 nan 0.000 0.478 612 L N 0.855 122.099 121.223 0.034 0.000 2.450 612 L HA -0.054 4.257 4.340 -0.048 0.000 0.224 612 L C 2.310 179.204 176.870 0.039 0.000 1.149 612 L CA 1.204 56.068 54.840 0.040 0.000 0.816 612 L CB -0.563 41.519 42.059 0.038 0.000 0.932 612 L HN 0.787 nan 8.230 nan 0.000 0.449 613 E N -0.264 119.955 120.200 0.032 0.000 2.045 613 E HA -0.133 4.188 4.350 -0.048 0.000 0.190 613 E C 1.569 178.187 176.600 0.029 0.000 0.968 613 E CA 0.752 57.170 56.400 0.030 0.000 0.813 613 E CB 0.007 29.721 29.700 0.024 0.000 0.780 613 E HN 0.436 nan 8.360 nan 0.000 0.455 614 D N 1.049 121.463 120.400 0.024 0.000 2.239 614 D HA -0.160 4.452 4.640 -0.048 0.000 0.202 614 D C 2.042 178.354 176.300 0.021 0.000 0.993 614 D CA 0.930 54.941 54.000 0.018 0.000 0.874 614 D CB -0.124 40.684 40.800 0.014 0.000 0.922 614 D HN 0.052 nan 8.370 nan 0.000 0.464 615 V N 0.875 120.809 119.914 0.033 0.000 2.323 615 V HA -0.184 3.907 4.120 -0.048 0.000 0.244 615 V C 2.623 178.752 176.094 0.059 0.000 1.041 615 V CA 1.358 63.685 62.300 0.046 0.000 1.025 615 V CB -0.435 31.427 31.823 0.065 0.000 0.656 615 V HN 0.102 nan 8.190 nan 0.000 0.451 616 R N 0.628 121.164 120.500 0.060 0.000 2.070 616 R HA -0.190 4.121 4.340 -0.048 0.000 0.232 616 R C 2.384 178.717 176.300 0.055 0.000 1.138 616 R CA 1.872 58.013 56.100 0.069 0.000 0.936 616 R CB -0.256 30.078 30.300 0.056 0.000 0.839 616 R HN 0.426 nan 8.270 nan 0.000 0.429 617 K N 0.371 120.793 120.400 0.037 0.000 2.286 617 K HA -0.172 4.119 4.320 -0.048 0.000 0.203 617 K C 1.881 178.489 176.600 0.013 0.000 1.045 617 K CA 1.898 58.199 56.287 0.024 0.000 0.935 617 K CB -0.147 32.363 32.500 0.017 0.000 0.737 617 K HN 0.466 nan 8.250 nan 0.000 0.460 618 M N -2.333 117.272 119.600 0.009 0.000 2.431 618 M HA 0.303 4.754 4.480 -0.048 0.000 0.237 618 M C 0.490 176.776 176.300 -0.024 0.000 1.130 618 M CA 0.548 55.837 55.300 -0.017 0.000 1.002 618 M CB 0.786 33.365 32.600 -0.035 0.000 1.524 618 M HN 0.043 nan 8.290 nan 0.000 0.482 619 G N 1.139 109.950 108.800 0.020 0.000 2.291 619 G HA2 0.031 3.962 3.960 -0.048 0.000 0.271 619 G HA3 0.031 3.962 3.960 -0.048 0.000 0.271 619 G C -0.231 174.721 174.900 0.088 0.000 1.099 619 G CA 0.072 45.197 45.100 0.042 0.000 0.919 619 G HN 1.044 nan 8.290 nan 0.000 0.496 620 A N -0.486 122.435 122.820 0.168 0.000 2.532 620 A HA 1.026 5.317 4.320 -0.048 0.000 0.290 620 A C -0.258 177.514 177.584 0.312 0.000 1.143 620 A CA 0.015 52.221 52.037 0.281 0.000 0.728 620 A CB 1.461 20.541 19.000 0.133 0.000 1.317 620 A HN 1.342 nan 8.150 nan 0.000 0.414 621 E N 0.304 120.739 120.200 0.391 0.000 2.383 621 E HA 0.634 4.956 4.350 -0.048 0.000 0.275 621 E C -1.737 175.034 176.600 0.284 0.000 0.918 621 E CA -0.827 55.725 56.400 0.254 0.000 0.764 621 E CB 1.612 31.388 29.700 0.127 0.000 1.252 621 E HN 0.446 nan 8.360 nan 0.000 0.449 622 L N 2.517 123.859 121.223 0.198 0.000 2.257 622 L HA 0.531 4.842 4.340 -0.048 0.000 0.290 622 L C 0.150 177.121 176.870 0.170 0.000 1.044 622 L CA -0.549 54.428 54.840 0.227 0.000 0.810 622 L CB 0.751 42.908 42.059 0.162 0.000 1.193 622 L HN 0.453 nan 8.230 nan 0.000 0.425 623 R N 3.410 124.052 120.500 0.237 0.000 2.873 623 R HA 0.592 4.903 4.340 -0.048 0.000 0.264 623 R C -2.613 173.792 176.300 0.175 0.000 1.026 623 R CA -1.964 54.185 56.100 0.082 0.000 1.002 623 R CB 1.389 31.581 30.300 -0.181 0.000 1.174 623 R HN 0.273 nan 8.270 nan 0.000 0.488 624 P HA 0.132 nan 4.420 nan 0.000 0.284 624 P C -1.150 176.217 177.300 0.112 0.000 1.253 624 P CA -0.147 63.005 63.100 0.087 0.000 0.800 624 P CB 0.821 32.536 31.700 0.026 0.000 0.961 625 H N 1.367 120.406 119.070 -0.051 0.000 2.754 625 H HA 0.272 4.800 4.556 -0.047 0.000 0.352 625 H C 0.402 175.683 175.328 -0.079 0.000 1.213 625 H CA -0.463 55.507 56.048 -0.129 0.000 1.244 625 H CB 1.701 31.129 29.762 -0.557 0.000 1.843 625 H HN 0.306 nan 8.280 nan 0.000 0.587 626 E N -0.224 119.500 120.200 -0.794 0.000 2.418 626 E HA -0.113 4.209 4.350 -0.048 0.000 0.197 626 E C 0.730 177.253 176.600 -0.129 0.000 1.026 626 E CA 0.986 57.148 56.400 -0.397 0.000 0.862 626 E CB 0.168 29.615 29.700 -0.422 0.000 0.799 626 E HN 0.496 nan 8.360 nan 0.000 0.518 627 D N -1.133 119.310 120.400 0.072 0.000 2.339 627 D HA 0.057 4.668 4.640 -0.048 0.000 0.217 627 D C 1.200 177.556 176.300 0.094 0.000 1.050 627 D CA 0.590 54.676 54.000 0.145 0.000 0.856 627 D CB 0.110 41.063 40.800 0.255 0.000 0.922 627 D HN 0.123 nan 8.370 nan 0.000 0.518 628 G N 0.149 108.987 108.800 0.063 0.000 2.143 628 G HA2 -0.232 3.699 3.960 -0.048 0.000 0.249 628 G HA3 -0.232 3.699 3.960 -0.048 0.000 0.249 628 G C 0.365 175.308 174.900 0.072 0.000 0.981 628 G CA 0.614 45.744 45.100 0.051 0.000 0.665 628 G HN 0.823 nan 8.290 nan 0.000 0.528 629 T N -1.881 112.733 114.554 0.099 0.000 2.926 629 T HA 0.772 5.093 4.350 -0.048 0.000 0.289 629 T C 0.154 174.951 174.700 0.161 0.000 1.054 629 T CA -1.045 61.132 62.100 0.129 0.000 1.015 629 T CB 2.325 71.292 68.868 0.166 0.000 1.167 629 T HN 0.474 nan 8.240 nan 0.000 0.526 630 L N 1.456 122.801 121.223 0.203 0.000 2.326 630 L HA 0.424 4.735 4.340 -0.048 0.000 0.278 630 L C 0.323 177.451 176.870 0.430 0.000 1.092 630 L CA -0.647 54.343 54.840 0.250 0.000 0.810 630 L CB 0.516 42.684 42.059 0.180 0.000 1.153 630 L HN 0.676 nan 8.230 nan 0.000 0.439 631 H N 3.331 122.552 119.070 0.251 0.000 2.538 631 H HA 0.307 4.834 4.556 -0.047 0.000 0.353 631 H C -0.809 174.737 175.328 0.364 0.000 1.109 631 H CA -0.932 55.260 56.048 0.240 0.000 1.192 631 H CB 2.775 32.682 29.762 0.242 0.000 1.555 631 H HN 0.417 nan 8.280 nan 0.000 0.518 632 L N 4.535 125.916 121.223 0.263 0.000 2.342 632 L HA 0.186 4.497 4.340 -0.048 0.000 0.285 632 L C -1.137 175.919 176.870 0.310 0.000 1.095 632 L CA -0.402 54.605 54.840 0.279 0.000 0.843 632 L CB -0.053 42.089 42.059 0.139 0.000 1.201 632 L HN 0.494 nan 8.230 nan 0.000 0.445 633 W N 5.925 127.397 121.300 0.287 0.000 2.436 633 W HA 0.646 5.283 4.660 -0.038 0.000 0.347 633 W C -0.208 176.545 176.519 0.390 0.000 1.136 633 W CA -0.513 57.081 57.345 0.414 0.000 1.286 633 W CB 1.068 30.803 29.460 0.458 0.000 1.253 633 W HN 0.357 nan 8.180 nan 0.000 0.617 634 K N 2.003 122.727 120.400 0.539 0.000 2.598 634 K HA 0.347 4.639 4.320 -0.048 0.000 0.271 634 K C -3.054 173.469 176.600 -0.128 0.000 0.947 634 K CA -1.503 54.794 56.287 0.018 0.000 0.854 634 K CB 1.932 34.241 32.500 -0.317 0.000 1.401 634 K HN 0.004 nan 8.250 nan 0.000 0.415 635 P HA 0.284 nan 4.420 nan 0.000 0.272 635 P C -1.530 175.709 177.300 -0.103 0.000 1.230 635 P CA -0.184 62.653 63.100 -0.439 0.000 0.788 635 P CB 1.090 32.383 31.700 -0.679 0.000 0.949 636 A N 0.748 123.575 122.820 0.011 0.000 2.597 636 A HA 0.428 4.719 4.320 -0.048 0.000 0.292 636 A C -1.076 176.551 177.584 0.073 0.000 1.057 636 A CA -0.612 51.475 52.037 0.083 0.000 0.674 636 A CB 0.455 19.587 19.000 0.219 0.000 1.278 636 A HN 0.242 nan 8.150 nan 0.000 0.416 637 V N 1.878 121.832 119.914 0.067 0.000 2.584 637 V HA -0.001 4.090 4.120 -0.048 0.000 0.303 637 V C 1.098 177.242 176.094 0.083 0.000 1.035 637 V CA 0.848 63.188 62.300 0.067 0.000 1.172 637 V CB 0.220 32.080 31.823 0.062 0.000 0.896 637 V HN 0.870 nan 8.190 nan 0.000 0.486 638 M N 6.750 126.405 119.600 0.092 0.000 2.618 638 M HA 0.264 4.715 4.480 -0.048 0.000 0.322 638 M C 0.219 176.635 176.300 0.194 0.000 1.471 638 M CA 0.195 55.565 55.300 0.117 0.000 1.450 638 M CB -0.312 32.339 32.600 0.085 0.000 1.444 638 M HN 0.918 nan 8.290 nan 0.000 0.471 639 S N 2.584 118.363 115.700 0.131 0.000 2.632 639 S HA 0.380 4.821 4.470 -0.048 0.000 0.289 639 S C 0.475 175.068 174.600 -0.011 0.000 1.115 639 S CA -1.013 57.260 58.200 0.121 0.000 0.889 639 S CB 1.980 65.245 63.200 0.108 0.000 1.116 639 S HN 0.803 nan 8.310 nan 0.000 0.486 640 K N 1.155 121.515 120.400 -0.066 0.000 2.020 640 K HA -0.165 4.127 4.320 -0.048 0.000 0.212 640 K C 2.179 178.760 176.600 -0.032 0.000 1.050 640 K CA 2.161 58.398 56.287 -0.084 0.000 0.929 640 K CB -0.833 31.647 32.500 -0.033 0.000 0.714 640 K HN 0.594 nan 8.250 nan 0.000 0.443 641 S N 0.482 116.179 115.700 -0.005 0.000 2.368 641 S HA -0.179 4.262 4.470 -0.048 0.000 0.226 641 S C 1.784 176.364 174.600 -0.034 0.000 1.044 641 S CA 1.684 59.877 58.200 -0.012 0.000 1.062 641 S CB -0.281 62.918 63.200 -0.003 0.000 0.931 641 S HN 0.312 nan 8.310 nan 0.000 0.440 642 K N 0.769 121.151 120.400 -0.031 0.000 2.442 642 K HA 0.056 4.347 4.320 -0.048 0.000 0.198 642 K C 1.255 177.812 176.600 -0.073 0.000 1.042 642 K CA 0.704 56.954 56.287 -0.062 0.000 0.958 642 K CB -1.311 31.172 32.500 -0.028 0.000 0.766 642 K HN 0.631 nan 8.250 nan 0.000 0.474 643 G N 3.318 112.088 108.800 -0.051 0.000 2.354 643 G HA2 -0.261 3.670 3.960 -0.048 0.000 0.278 643 G HA3 -0.261 3.670 3.960 -0.048 0.000 0.278 643 G C -0.003 174.883 174.900 -0.023 0.000 0.953 643 G CA 0.727 45.801 45.100 -0.044 0.000 1.346 643 G HN 0.505 nan 8.290 nan 0.000 0.467 644 N N -1.136 117.562 118.700 -0.004 0.000 1.958 644 N HA 0.211 4.923 4.740 -0.048 0.000 0.223 644 N C 1.010 176.552 175.510 0.052 0.000 1.395 644 N CA 0.513 53.596 53.050 0.054 0.000 0.737 644 N CB -0.357 38.184 38.487 0.089 0.000 1.155 644 N HN 0.906 nan 8.380 nan 0.000 0.529 645 G N 0.164 108.956 108.800 -0.013 0.000 2.630 645 G HA2 0.382 4.314 3.960 -0.048 0.000 0.236 645 G HA3 0.382 4.314 3.960 -0.048 0.000 0.236 645 G C -0.495 174.382 174.900 -0.038 0.000 1.248 645 G CA -0.186 44.908 45.100 -0.009 0.000 0.844 645 G HN 0.090 nan 8.290 nan 0.000 0.588 646 V N 3.378 123.232 119.914 -0.101 0.000 2.220 646 V HA 0.124 4.215 4.120 -0.048 0.000 0.265 646 V C 0.274 176.289 176.094 -0.131 0.000 1.078 646 V CA -0.727 61.461 62.300 -0.187 0.000 0.872 646 V CB 0.479 31.960 31.823 -0.570 0.000 1.121 646 V HN 0.655 nan 8.190 nan 0.000 0.460 647 M N 2.991 122.572 119.600 -0.031 0.000 2.243 647 M HA -0.034 4.418 4.480 -0.048 0.000 0.365 647 M C 1.266 177.596 176.300 0.050 0.000 1.327 647 M CA 0.752 56.054 55.300 0.004 0.000 0.918 647 M CB 0.516 33.121 32.600 0.009 0.000 1.894 647 M HN 0.377 nan 8.290 nan 0.000 0.473 648 V N 4.166 124.106 119.914 0.043 0.000 2.223 648 V HA -0.207 3.885 4.120 -0.048 0.000 0.244 648 V C 2.103 178.288 176.094 0.151 0.000 1.045 648 V CA 2.328 64.683 62.300 0.091 0.000 1.000 648 V CB -1.822 30.040 31.823 0.064 0.000 0.635 648 V HN 1.109 nan 8.190 nan 0.000 0.445 649 G N 0.930 109.785 108.800 0.091 0.000 2.672 649 G HA2 -0.262 3.669 3.960 -0.048 0.000 0.218 649 G HA3 -0.262 3.669 3.960 -0.048 0.000 0.218 649 G C -0.232 174.727 174.900 0.098 0.000 1.238 649 G CA 1.656 46.803 45.100 0.078 0.000 0.791 649 G HN 0.497 nan 8.290 nan 0.000 0.606 650 P HA -0.194 nan 4.420 nan 0.000 0.205 650 P C 1.708 179.090 177.300 0.136 0.000 1.164 650 P CA 1.287 64.448 63.100 0.101 0.000 0.938 650 P CB -0.329 31.432 31.700 0.102 0.000 0.777 651 F N 0.334 120.326 119.950 0.069 0.000 2.053 651 F HA -0.331 4.167 4.527 -0.048 0.000 0.295 651 F C 1.971 177.845 175.800 0.122 0.000 1.102 651 F CA 1.888 59.954 58.000 0.110 0.000 1.225 651 F CB -1.177 37.879 39.000 0.094 0.000 0.961 651 F HN -0.276 nan 8.300 nan 0.000 0.495 652 V N 0.865 120.881 119.914 0.170 0.000 2.392 652 V HA -0.339 3.752 4.120 -0.048 0.000 0.249 652 V C 2.446 178.503 176.094 -0.063 0.000 1.059 652 V CA 2.257 64.583 62.300 0.044 0.000 1.051 652 V CB -0.811 31.084 31.823 0.120 0.000 0.658 652 V HN 0.308 nan 8.190 nan 0.000 0.455 653 K N 0.386 120.799 120.400 0.021 0.000 2.025 653 K HA -0.184 4.107 4.320 -0.048 0.000 0.207 653 K C 2.109 178.815 176.600 0.177 0.000 1.049 653 K CA 1.599 57.946 56.287 0.099 0.000 0.933 653 K CB -0.342 32.207 32.500 0.081 0.000 0.714 653 K HN 0.480 nan 8.250 nan 0.000 0.438 654 E N 0.465 120.693 120.200 0.046 0.000 2.274 654 E HA -0.100 4.221 4.350 -0.048 0.000 0.194 654 E C 1.318 177.936 176.600 0.029 0.000 0.996 654 E CA 1.023 57.450 56.400 0.044 0.000 0.840 654 E CB 0.385 30.085 29.700 0.001 0.000 0.772 654 E HN 0.203 nan 8.360 nan 0.000 0.491 655 Q N -1.406 118.285 119.800 -0.181 0.000 2.489 655 Q HA 0.510 4.821 4.340 -0.048 0.000 0.202 655 Q C 0.400 176.257 176.000 -0.239 0.000 0.853 655 Q CA 0.483 56.187 55.803 -0.166 0.000 0.539 655 Q CB 0.220 28.600 28.738 -0.597 0.000 3.308 655 Q HN 0.116 nan 8.270 nan 0.000 0.362 656 G N -1.013 107.623 108.800 -0.273 0.000 2.523 656 G HA2 0.499 4.431 3.960 -0.048 0.000 0.291 656 G HA3 0.499 4.431 3.960 -0.048 0.000 0.291 656 G C -0.350 174.584 174.900 0.057 0.000 1.450 656 G CA -0.018 44.956 45.100 -0.208 0.000 0.790 656 G HN 0.344 nan 8.290 nan 0.000 0.496 657 A N 0.039 122.904 122.820 0.075 0.000 1.832 657 A HA 0.167 4.458 4.320 -0.048 0.000 0.214 657 A C 1.865 179.629 177.584 0.300 0.000 1.242 657 A CA 2.217 54.394 52.037 0.234 0.000 0.603 657 A CB -0.755 18.387 19.000 0.237 0.000 0.902 657 A HN 0.542 nan 8.150 nan 0.000 0.455 658 D N 0.311 120.910 120.400 0.331 0.000 2.276 658 D HA -0.198 4.414 4.640 -0.048 0.000 0.200 658 D C 1.695 178.129 176.300 0.222 0.000 1.004 658 D CA 1.380 55.551 54.000 0.286 0.000 0.898 658 D CB -0.440 40.535 40.800 0.293 0.000 0.906 658 D HN 0.562 nan 8.370 nan 0.000 0.457 659 I N 0.569 121.267 120.570 0.213 0.000 2.286 659 I HA -0.214 3.927 4.170 -0.048 0.000 0.245 659 I C 2.508 178.834 176.117 0.348 0.000 1.104 659 I CA 0.881 62.312 61.300 0.219 0.000 1.397 659 I CB -0.313 37.784 38.000 0.162 0.000 1.072 659 I HN -0.051 nan 8.210 nan 0.000 0.417 660 A N 1.306 124.426 122.820 0.499 0.000 1.865 660 A HA -0.232 4.060 4.320 -0.048 0.000 0.217 660 A C 2.375 180.161 177.584 0.336 0.000 1.191 660 A CA 1.652 53.994 52.037 0.509 0.000 0.623 660 A CB -0.651 18.620 19.000 0.451 0.000 0.826 660 A HN 0.289 nan 8.150 nan 0.000 0.444 661 R N -0.574 120.082 120.500 0.261 0.000 2.171 661 R HA -0.165 4.147 4.340 -0.048 0.000 0.226 661 R C 2.000 178.402 176.300 0.170 0.000 1.113 661 R CA 1.772 57.982 56.100 0.182 0.000 0.887 661 R CB -0.754 29.631 30.300 0.142 0.000 0.830 661 R HN 0.451 nan 8.270 nan 0.000 0.432 662 I N 1.159 121.832 120.570 0.171 0.000 2.182 662 I HA -0.359 3.782 4.170 -0.048 0.000 0.248 662 I C 2.229 178.420 176.117 0.122 0.000 1.073 662 I CA 1.912 63.300 61.300 0.146 0.000 1.335 662 I CB -1.726 36.362 38.000 0.147 0.000 1.031 662 I HN 0.367 nan 8.210 nan 0.000 0.420 663 T N 1.154 115.757 114.554 0.081 0.000 2.708 663 T HA -0.104 4.217 4.350 -0.048 0.000 0.266 663 T C 2.108 176.799 174.700 -0.015 0.000 1.037 663 T CA 1.341 63.400 62.100 -0.068 0.000 1.146 663 T CB -0.201 68.424 68.868 -0.404 0.000 0.865 663 T HN 0.261 nan 8.240 nan 0.000 0.435 664 I N 0.530 121.172 120.570 0.119 0.000 2.163 664 I HA -0.104 4.037 4.170 -0.048 0.000 0.240 664 I C 2.305 178.506 176.117 0.140 0.000 1.081 664 I CA 1.165 62.579 61.300 0.189 0.000 1.353 664 I CB -0.362 37.789 38.000 0.251 0.000 1.054 664 I HN 0.186 nan 8.210 nan 0.000 0.407 665 L N -0.358 120.945 121.223 0.134 0.000 1.994 665 L HA -0.241 4.070 4.340 -0.048 0.000 0.208 665 L C 2.472 179.442 176.870 0.167 0.000 1.071 665 L CA 1.533 56.456 54.840 0.139 0.000 0.745 665 L CB -0.630 41.517 42.059 0.147 0.000 0.892 665 L HN 0.182 nan 8.230 nan 0.000 0.431 666 F N 0.475 120.426 119.950 0.002 0.000 2.661 666 F HA 0.053 4.551 4.527 -0.048 0.000 0.298 666 F C 2.242 178.022 175.800 -0.033 0.000 1.137 666 F CA 0.327 58.300 58.000 -0.045 0.000 1.454 666 F CB -0.135 38.796 39.000 -0.116 0.000 1.103 666 F HN -0.020 nan 8.300 nan 0.000 0.577 667 A N 0.721 123.556 122.820 0.025 0.000 1.892 667 A HA 0.243 4.534 4.320 -0.048 0.000 0.218 667 A C 1.363 178.871 177.584 -0.127 0.000 1.188 667 A CA 1.680 53.698 52.037 -0.032 0.000 0.631 667 A CB -0.904 18.110 19.000 0.023 0.000 0.822 667 A HN 0.532 nan 8.150 nan 0.000 0.447 668 A N -2.942 119.814 122.820 -0.106 0.000 2.483 668 A HA 0.610 4.901 4.320 -0.048 0.000 0.306 668 A C -3.176 174.375 177.584 -0.054 0.000 1.137 668 A CA -0.978 50.996 52.037 -0.105 0.000 0.626 668 A CB -0.208 18.764 19.000 -0.047 0.000 1.352 668 A HN -0.014 nan 8.150 nan 0.000 0.508 669 P HA 0.246 nan 4.420 nan 0.000 0.276 669 P C -1.920 175.426 177.300 0.076 0.000 1.243 669 P CA -1.134 61.974 63.100 0.013 0.000 0.768 669 P CB 0.550 32.247 31.700 -0.005 0.000 0.856 670 P HA -0.281 nan 4.420 nan 0.000 0.218 670 P C 1.151 178.541 177.300 0.150 0.000 1.150 670 P CA 1.776 65.031 63.100 0.259 0.000 0.841 670 P CB -0.034 31.971 31.700 0.507 0.000 0.784 671 E N -0.394 119.844 120.200 0.063 0.000 2.208 671 E HA -0.105 4.216 4.350 -0.048 0.000 0.193 671 E C 0.448 177.007 176.600 -0.069 0.000 0.988 671 E CA 0.455 56.782 56.400 -0.121 0.000 0.828 671 E CB -0.671 28.929 29.700 -0.166 0.000 0.763 671 E HN 0.247 nan 8.360 nan 0.000 0.478 672 N N 1.912 120.599 118.700 -0.021 0.000 2.347 672 N HA 0.061 4.772 4.740 -0.048 0.000 0.253 672 N C -0.562 174.946 175.510 -0.003 0.000 1.274 672 N CA -0.254 52.785 53.050 -0.018 0.000 0.941 672 N CB 0.621 39.099 38.487 -0.014 0.000 1.200 672 N HN 0.254 nan 8.380 nan 0.000 0.514 673 E N 0.182 120.381 120.200 -0.003 0.000 2.146 673 E HA 0.317 4.639 4.350 -0.048 0.000 0.282 673 E C -0.407 176.207 176.600 0.024 0.000 0.989 673 E CA -0.703 55.704 56.400 0.011 0.000 0.799 673 E CB 0.786 30.488 29.700 0.003 0.000 1.088 673 E HN 0.532 nan 8.360 nan 0.000 0.397 674 M N 1.274 120.904 119.600 0.049 0.000 2.369 674 M HA 0.546 4.998 4.480 -0.048 0.000 0.291 674 M C -0.891 175.462 176.300 0.088 0.000 1.178 674 M CA -1.035 54.304 55.300 0.065 0.000 0.996 674 M CB 1.381 34.035 32.600 0.090 0.000 1.472 674 M HN 0.304 nan 8.290 nan 0.000 0.496 675 V N 2.075 122.055 119.914 0.110 0.000 2.380 675 V HA 0.178 4.270 4.120 -0.048 0.000 0.272 675 V C -0.937 175.298 176.094 0.236 0.000 1.011 675 V CA -0.502 61.886 62.300 0.147 0.000 0.826 675 V CB 0.959 32.839 31.823 0.094 0.000 1.040 675 V HN 0.888 nan 8.190 nan 0.000 0.441 676 W N 5.983 127.349 121.300 0.110 0.000 2.443 676 W HA 0.250 4.883 4.660 -0.045 0.000 0.335 676 W C 0.105 176.744 176.519 0.201 0.000 1.382 676 W CA 1.027 58.445 57.345 0.121 0.000 1.305 676 W CB 0.705 30.207 29.460 0.070 0.000 1.283 676 W HN 0.662 nan 8.180 nan 0.000 0.567 677 T N 1.616 116.109 114.554 -0.102 0.000 2.883 677 T HA 0.169 4.490 4.350 -0.048 0.000 0.296 677 T C 0.684 175.368 174.700 -0.028 0.000 1.117 677 T CA -0.692 61.472 62.100 0.106 0.000 1.006 677 T CB 2.209 71.187 68.868 0.184 0.000 1.191 677 T HN 0.586 nan 8.240 nan 0.000 0.508 678 E N 0.559 120.810 120.200 0.085 0.000 2.049 678 E HA -0.256 4.065 4.350 -0.048 0.000 0.198 678 E C 1.513 178.132 176.600 0.033 0.000 1.007 678 E CA 2.030 58.481 56.400 0.085 0.000 0.809 678 E CB -0.135 29.596 29.700 0.053 0.000 0.749 678 E HN 0.787 nan 8.360 nan 0.000 0.450 679 E N -0.214 119.986 120.200 0.001 0.000 2.114 679 E HA -0.192 4.129 4.350 -0.048 0.000 0.199 679 E C 1.905 178.510 176.600 0.009 0.000 1.008 679 E CA 1.371 57.773 56.400 0.004 0.000 0.810 679 E CB -0.605 29.092 29.700 -0.004 0.000 0.739 679 E HN 0.472 nan 8.360 nan 0.000 0.456 680 G N 0.380 109.158 108.800 -0.038 0.000 2.421 680 G HA2 -0.244 3.687 3.960 -0.048 0.000 0.216 680 G HA3 -0.244 3.687 3.960 -0.048 0.000 0.216 680 G C 1.748 176.613 174.900 -0.059 0.000 1.171 680 G CA 1.014 46.073 45.100 -0.068 0.000 0.775 680 G HN 0.207 nan 8.290 nan 0.000 0.543 681 V N 0.596 120.454 119.914 -0.093 0.000 2.324 681 V HA -0.307 3.785 4.120 -0.048 0.000 0.250 681 V C 2.849 179.092 176.094 0.248 0.000 1.060 681 V CA 2.334 64.689 62.300 0.092 0.000 1.042 681 V CB -0.798 31.186 31.823 0.268 0.000 0.650 681 V HN 0.421 nan 8.190 nan 0.000 0.450 682 Q N 0.200 120.112 119.800 0.187 0.000 2.002 682 Q HA -0.179 4.133 4.340 -0.048 0.000 0.204 682 Q C 2.481 178.618 176.000 0.228 0.000 0.988 682 Q CA 1.960 57.884 55.803 0.201 0.000 0.843 682 Q CB -0.772 28.020 28.738 0.090 0.000 0.908 682 Q HN 0.707 nan 8.270 nan 0.000 0.420 683 G N 0.601 109.482 108.800 0.135 0.000 2.503 683 G HA2 -0.326 3.606 3.960 -0.048 0.000 0.221 683 G HA3 -0.326 3.606 3.960 -0.048 0.000 0.221 683 G C 1.462 176.445 174.900 0.139 0.000 1.131 683 G CA 1.129 46.292 45.100 0.105 0.000 0.756 683 G HN 0.457 nan 8.290 nan 0.000 0.572 684 A N -0.283 122.627 122.820 0.151 0.000 1.902 684 A HA -0.039 4.252 4.320 -0.048 0.000 0.217 684 A C 2.161 179.874 177.584 0.215 0.000 1.181 684 A CA 1.493 53.630 52.037 0.167 0.000 0.623 684 A CB -0.670 18.418 19.000 0.148 0.000 0.818 684 A HN 0.520 nan 8.150 nan 0.000 0.443 685 W N -0.115 121.270 121.300 0.141 0.000 2.354 685 W HA -0.142 4.488 4.660 -0.049 0.000 0.315 685 W C 2.730 179.320 176.519 0.118 0.000 1.206 685 W CA 2.087 59.528 57.345 0.159 0.000 1.290 685 W CB -0.176 29.366 29.460 0.137 0.000 1.152 685 W HN 0.239 nan 8.180 nan 0.000 0.489 686 R N -0.914 119.830 120.500 0.406 0.000 2.103 686 R HA -0.249 4.063 4.340 -0.048 0.000 0.234 686 R C 2.254 178.660 176.300 0.176 0.000 1.132 686 R CA 2.172 58.428 56.100 0.259 0.000 0.925 686 R CB -1.317 29.093 30.300 0.183 0.000 0.842 686 R HN 0.151 nan 8.270 nan 0.000 0.430 687 F N 1.528 121.476 119.950 -0.002 0.000 2.063 687 F HA -0.264 4.234 4.527 -0.048 0.000 0.298 687 F C 1.884 177.639 175.800 -0.075 0.000 1.109 687 F CA 1.703 59.655 58.000 -0.080 0.000 1.212 687 F CB -0.590 38.315 39.000 -0.159 0.000 0.973 687 F HN 0.005 nan 8.300 nan 0.000 0.480 688 L N -0.073 120.979 121.223 -0.286 0.000 2.083 688 L HA -0.254 4.057 4.340 -0.048 0.000 0.209 688 L C 2.444 179.031 176.870 -0.471 0.000 1.083 688 L CA 1.257 55.782 54.840 -0.525 0.000 0.752 688 L CB -0.829 40.930 42.059 -0.500 0.000 0.899 688 L HN 0.201 nan 8.230 nan 0.000 0.433 689 N N 0.384 118.994 118.700 -0.150 0.000 2.062 689 N HA -0.143 4.568 4.740 -0.048 0.000 0.191 689 N C 1.902 177.452 175.510 0.066 0.000 1.042 689 N CA 1.247 54.330 53.050 0.055 0.000 0.845 689 N CB -0.219 38.434 38.487 0.276 0.000 1.024 689 N HN 0.245 nan 8.380 nan 0.000 0.424 690 R N 0.757 121.269 120.500 0.021 0.000 2.154 690 R HA -0.098 4.213 4.340 -0.048 0.000 0.248 690 R C 2.249 178.522 176.300 -0.045 0.000 1.155 690 R CA 1.020 57.124 56.100 0.007 0.000 0.979 690 R CB -0.411 29.794 30.300 -0.157 0.000 0.869 690 R HN 0.348 nan 8.270 nan 0.000 0.452 691 I N -0.968 119.475 120.570 -0.212 0.000 2.252 691 I HA -0.277 3.865 4.170 -0.048 0.000 0.245 691 I C 2.183 178.265 176.117 -0.058 0.000 1.102 691 I CA 1.125 62.285 61.300 -0.234 0.000 1.385 691 I CB -0.398 37.379 38.000 -0.373 0.000 1.064 691 I HN 0.110 nan 8.210 nan 0.000 0.414 692 Y N 2.056 122.288 120.300 -0.112 0.000 2.070 692 Y HA -0.244 4.278 4.550 -0.048 0.000 0.279 692 Y C 2.862 178.867 175.900 0.175 0.000 1.134 692 Y CA 1.623 59.743 58.100 0.033 0.000 1.113 692 Y CB -0.332 38.173 38.460 0.074 0.000 0.981 692 Y HN -0.090 nan 8.280 nan 0.000 0.487 693 R N -0.365 120.412 120.500 0.462 0.000 2.122 693 R HA -0.314 3.997 4.340 -0.048 0.000 0.236 693 R C 2.342 178.803 176.300 0.268 0.000 1.129 693 R CA 2.113 58.442 56.100 0.381 0.000 0.925 693 R CB -0.558 29.940 30.300 0.331 0.000 0.850 693 R HN 0.171 nan 8.270 nan 0.000 0.431 694 R N 0.460 121.133 120.500 0.288 0.000 2.153 694 R HA -0.168 4.144 4.340 -0.048 0.000 0.252 694 R C 1.848 178.264 176.300 0.193 0.000 1.158 694 R CA 1.827 58.073 56.100 0.243 0.000 0.975 694 R CB -0.534 30.002 30.300 0.393 0.000 0.871 694 R HN 0.176 nan 8.270 nan 0.000 0.450 695 V N -0.624 119.394 119.914 0.173 0.000 2.992 695 V HA 0.126 4.217 4.120 -0.048 0.000 0.250 695 V C 2.077 178.423 176.094 0.420 0.000 1.090 695 V CA 1.148 63.594 62.300 0.244 0.000 1.101 695 V CB 0.018 31.924 31.823 0.138 0.000 0.743 695 V HN 0.479 nan 8.190 nan 0.000 0.468 696 A N 0.027 123.060 122.820 0.355 0.000 1.929 696 A HA -0.184 4.108 4.320 -0.048 0.000 0.216 696 A C 2.160 179.859 177.584 0.190 0.000 1.176 696 A CA 1.621 53.865 52.037 0.345 0.000 0.628 696 A CB -0.333 18.903 19.000 0.394 0.000 0.816 696 A HN 0.572 nan 8.150 nan 0.000 0.444 697 E N -0.388 119.916 120.200 0.173 0.000 2.347 697 E HA -0.143 4.179 4.350 -0.048 0.000 0.196 697 E C 0.189 176.832 176.600 0.070 0.000 1.008 697 E CA 1.150 57.605 56.400 0.092 0.000 0.852 697 E CB 0.094 29.824 29.700 0.051 0.000 0.783 697 E HN 0.518 nan 8.360 nan 0.000 0.505 698 D N -0.663 119.817 120.400 0.132 0.000 2.469 698 D HA 0.022 4.634 4.640 -0.048 0.000 0.213 698 D C 1.299 177.719 176.300 0.199 0.000 1.135 698 D CA -0.165 53.906 54.000 0.118 0.000 0.834 698 D CB 0.061 40.940 40.800 0.132 0.000 1.009 698 D HN 0.111 nan 8.370 nan 0.000 0.507 699 R N 1.613 122.262 120.500 0.249 0.000 2.112 699 R HA -0.215 4.097 4.340 -0.048 0.000 0.242 699 R C 1.857 178.254 176.300 0.161 0.000 1.137 699 R CA 1.689 57.966 56.100 0.294 0.000 0.944 699 R CB 0.098 30.369 30.300 -0.047 0.000 0.857 699 R HN 0.130 nan 8.270 nan 0.000 0.435 700 E N -0.567 119.653 120.200 0.033 0.000 2.015 700 E HA -0.186 4.136 4.350 -0.048 0.000 0.191 700 E C 1.928 178.546 176.600 0.030 0.000 0.991 700 E CA 1.105 57.502 56.400 -0.005 0.000 0.802 700 E CB -0.197 29.482 29.700 -0.036 0.000 0.759 700 E HN 0.494 nan 8.360 nan 0.000 0.447 701 A N 1.099 123.934 122.820 0.025 0.000 1.927 701 A HA -0.221 4.070 4.320 -0.048 0.000 0.220 701 A C 2.213 179.816 177.584 0.032 0.000 1.185 701 A CA 1.443 53.484 52.037 0.007 0.000 0.639 701 A CB -0.763 18.222 19.000 -0.026 0.000 0.820 701 A HN 0.335 nan 8.150 nan 0.000 0.451 702 L N -1.270 120.010 121.223 0.094 0.000 2.109 702 L HA -0.072 4.239 4.340 -0.048 0.000 0.207 702 L C 2.449 179.383 176.870 0.106 0.000 1.086 702 L CA 0.712 55.601 54.840 0.083 0.000 0.760 702 L CB -0.290 41.789 42.059 0.035 0.000 0.910 702 L HN 0.370 nan 8.230 nan 0.000 0.437 703 L N 0.016 121.351 121.223 0.186 0.000 2.261 703 L HA -0.210 4.101 4.340 -0.048 0.000 0.216 703 L C 2.037 178.920 176.870 0.021 0.000 1.114 703 L CA 1.286 56.189 54.840 0.105 0.000 0.777 703 L CB -0.235 41.834 42.059 0.016 0.000 0.910 703 L HN 0.425 nan 8.230 nan 0.000 0.440 704 E N -2.184 118.026 120.200 0.015 0.000 2.501 704 E HA 0.130 4.452 4.350 -0.048 0.000 0.200 704 E C -0.115 176.487 176.600 0.003 0.000 1.016 704 E CA -0.146 56.253 56.400 -0.001 0.000 0.921 704 E CB 0.220 29.914 29.700 -0.009 0.000 1.034 704 E HN 0.152 nan 8.360 nan 0.000 0.468 705 T N 0.459 115.018 114.554 0.009 0.000 2.918 705 T HA 0.327 4.649 4.350 -0.048 0.000 0.286 705 T C -0.552 174.165 174.700 0.028 0.000 1.026 705 T CA -0.666 61.443 62.100 0.015 0.000 1.031 705 T CB 1.930 70.808 68.868 0.016 0.000 1.046 705 T HN 0.005 nan 8.240 nan 0.000 0.479 706 S N -0.067 115.661 115.700 0.047 0.000 2.525 706 S HA 0.566 5.007 4.470 -0.048 0.000 0.290 706 S C 1.098 175.768 174.600 0.118 0.000 1.152 706 S CA -0.611 57.635 58.200 0.077 0.000 1.072 706 S CB 0.688 63.933 63.200 0.076 0.000 1.027 706 S HN 0.913 nan 8.310 nan 0.000 0.500 707 G N 2.685 111.582 108.800 0.161 0.000 3.448 707 G HA2 0.348 4.280 3.960 -0.048 0.000 0.261 707 G HA3 0.348 4.280 3.960 -0.048 0.000 0.261 707 G C -0.261 174.831 174.900 0.320 0.000 1.173 707 G CA -0.136 45.101 45.100 0.227 0.000 0.835 707 G HN 0.578 nan 8.290 nan 0.000 0.534 708 V N 1.146 121.221 119.914 0.268 0.000 2.472 708 V HA 0.833 4.925 4.120 -0.048 0.000 0.290 708 V C -0.302 176.002 176.094 0.350 0.000 1.037 708 V CA -0.631 61.794 62.300 0.208 0.000 0.908 708 V CB 0.557 32.441 31.823 0.102 0.000 0.985 708 V HN 0.378 nan 8.190 nan 0.000 0.454 709 F N 0.844 120.792 119.950 -0.002 0.000 2.799 709 F HA 0.501 4.999 4.527 -0.048 0.000 0.316 709 F C -0.948 174.825 175.800 -0.046 0.000 1.155 709 F CA -1.250 56.736 58.000 -0.024 0.000 0.916 709 F CB 1.815 40.795 39.000 -0.033 0.000 1.294 709 F HN 0.474 nan 8.300 nan 0.000 0.447 710 Q N 1.924 121.743 119.800 0.032 0.000 2.279 710 Q HA 0.632 4.943 4.340 -0.048 0.000 0.256 710 Q C 0.786 176.736 176.000 -0.082 0.000 0.937 710 Q CA 0.111 55.865 55.803 -0.081 0.000 0.933 710 Q CB 1.937 30.664 28.738 -0.018 0.000 1.189 710 Q HN 1.025 nan 8.270 nan 0.000 0.417 711 A N 4.404 127.088 122.820 -0.228 0.000 1.842 711 A HA -0.290 4.001 4.320 -0.048 0.000 0.217 711 A C 1.541 179.020 177.584 -0.176 0.000 1.206 711 A CA 2.164 54.034 52.037 -0.279 0.000 0.630 711 A CB -0.611 18.250 19.000 -0.231 0.000 0.839 711 A HN 0.931 nan 8.150 nan 0.000 0.447 712 E N 0.182 120.323 120.200 -0.099 0.000 2.153 712 E HA 0.031 4.352 4.350 -0.048 0.000 0.194 712 E C 1.781 178.363 176.600 -0.030 0.000 0.988 712 E CA 1.039 57.407 56.400 -0.053 0.000 0.811 712 E CB -0.455 29.226 29.700 -0.032 0.000 0.746 712 E HN 0.577 nan 8.360 nan 0.000 0.466 713 A N 0.749 123.558 122.820 -0.019 0.000 2.215 713 A HA 0.044 4.335 4.320 -0.048 0.000 0.208 713 A C 0.280 177.869 177.584 0.009 0.000 1.296 713 A CA 0.322 52.360 52.037 0.002 0.000 0.918 713 A CB -0.742 18.267 19.000 0.015 0.000 0.806 713 A HN 0.107 nan 8.150 nan 0.000 0.490 714 L N 0.369 121.587 121.223 -0.008 0.000 2.334 714 L HA 0.548 4.859 4.340 -0.048 0.000 0.275 714 L C 0.148 177.024 176.870 0.009 0.000 1.036 714 L CA -0.538 54.297 54.840 -0.008 0.000 0.807 714 L CB 1.461 43.489 42.059 -0.052 0.000 1.231 714 L HN 0.615 nan 8.230 nan 0.000 0.438 715 E N 1.590 121.804 120.200 0.022 0.000 2.388 715 E HA 0.645 4.966 4.350 -0.048 0.000 0.280 715 E C -0.409 176.218 176.600 0.045 0.000 1.019 715 E CA -0.563 55.857 56.400 0.033 0.000 0.806 715 E CB 1.806 31.520 29.700 0.023 0.000 1.246 715 E HN 0.741 nan 8.360 nan 0.000 0.443 716 G N 2.058 110.889 108.800 0.052 0.000 2.568 716 G HA2 -0.274 3.658 3.960 -0.048 0.000 0.222 716 G HA3 -0.274 3.658 3.960 -0.048 0.000 0.222 716 G C 0.469 175.429 174.900 0.099 0.000 1.321 716 G CA -0.042 45.093 45.100 0.059 0.000 0.893 716 G HN 0.479 nan 8.290 nan 0.000 0.569 717 K N 0.430 120.901 120.400 0.119 0.000 2.113 717 K HA -0.111 4.180 4.320 -0.048 0.000 0.208 717 K C 2.024 178.818 176.600 0.322 0.000 1.047 717 K CA 2.302 58.720 56.287 0.218 0.000 0.928 717 K CB -0.561 32.052 32.500 0.189 0.000 0.716 717 K HN 0.555 nan 8.250 nan 0.000 0.446 718 D N 0.519 121.092 120.400 0.289 0.000 2.095 718 D HA -0.174 4.437 4.640 -0.048 0.000 0.192 718 D C 1.931 178.309 176.300 0.131 0.000 0.990 718 D CA 1.211 55.329 54.000 0.197 0.000 0.836 718 D CB -0.346 40.514 40.800 0.101 0.000 0.979 718 D HN 0.155 nan 8.370 nan 0.000 0.447 719 R N 0.681 121.246 120.500 0.108 0.000 2.153 719 R HA -0.254 4.057 4.340 -0.048 0.000 0.252 719 R C 2.032 178.441 176.300 0.181 0.000 1.158 719 R CA 1.803 57.974 56.100 0.119 0.000 0.975 719 R CB -0.097 30.252 30.300 0.082 0.000 0.871 719 R HN 0.314 nan 8.270 nan 0.000 0.450 720 E N 0.021 120.318 120.200 0.162 0.000 2.008 720 E HA -0.196 4.125 4.350 -0.048 0.000 0.191 720 E C 2.064 178.769 176.600 0.175 0.000 0.986 720 E CA 1.089 57.586 56.400 0.161 0.000 0.807 720 E CB -0.188 29.601 29.700 0.148 0.000 0.766 720 E HN 0.276 nan 8.360 nan 0.000 0.450 721 L N 0.604 121.911 121.223 0.141 0.000 2.051 721 L HA -0.259 4.053 4.340 -0.048 0.000 0.214 721 L C 2.310 179.283 176.870 0.171 0.000 1.076 721 L CA 2.104 56.983 54.840 0.065 0.000 0.758 721 L CB -0.790 41.076 42.059 -0.321 0.000 0.890 721 L HN 0.340 nan 8.230 nan 0.000 0.433 722 Y N 0.148 120.481 120.300 0.057 0.000 2.274 722 Y HA -0.097 4.424 4.550 -0.047 0.000 0.290 722 Y C 2.181 178.195 175.900 0.190 0.000 1.145 722 Y CA 1.756 59.934 58.100 0.130 0.000 1.203 722 Y CB -0.674 37.862 38.460 0.127 0.000 0.984 722 Y HN 0.234 nan 8.280 nan 0.000 0.533 723 G N -0.192 108.745 108.800 0.228 0.000 2.394 723 G HA2 -0.270 3.661 3.960 -0.048 0.000 0.214 723 G HA3 -0.270 3.661 3.960 -0.048 0.000 0.214 723 G C 1.602 176.552 174.900 0.084 0.000 1.176 723 G CA 0.874 46.050 45.100 0.127 0.000 0.786 723 G HN 0.291 nan 8.290 nan 0.000 0.533 724 K N 0.143 120.631 120.400 0.146 0.000 2.113 724 K HA -0.071 4.220 4.320 -0.048 0.000 0.208 724 K C 2.229 178.849 176.600 0.034 0.000 1.047 724 K CA 0.981 57.380 56.287 0.187 0.000 0.928 724 K CB -0.644 32.060 32.500 0.340 0.000 0.716 724 K HN 0.272 nan 8.250 nan 0.000 0.446 725 L N 0.445 121.648 121.223 -0.034 0.000 1.921 725 L HA -0.189 4.122 4.340 -0.048 0.000 0.219 725 L C 1.762 178.366 176.870 -0.442 0.000 1.081 725 L CA 2.206 56.713 54.840 -0.556 0.000 0.771 725 L CB -1.244 40.664 42.059 -0.251 0.000 0.888 725 L HN 0.375 nan 8.230 nan 0.000 0.433 726 H N -0.391 118.485 119.070 -0.323 0.000 2.431 726 H HA -0.196 4.331 4.556 -0.048 0.000 0.297 726 H C 2.231 177.459 175.328 -0.167 0.000 1.115 726 H CA 1.954 57.860 56.048 -0.237 0.000 1.277 726 H CB -0.101 29.509 29.762 -0.253 0.000 1.372 726 H HN 0.554 nan 8.280 nan 0.000 0.516 727 E N -0.679 119.504 120.200 -0.028 0.000 2.110 727 E HA -0.156 4.165 4.350 -0.048 0.000 0.193 727 E C 1.881 178.437 176.600 -0.074 0.000 0.988 727 E CA 1.509 57.897 56.400 -0.020 0.000 0.804 727 E CB 0.130 29.840 29.700 0.015 0.000 0.745 727 E HN 0.430 nan 8.360 nan 0.000 0.458 728 T N 1.075 115.524 114.554 -0.174 0.000 2.770 728 T HA -0.117 4.205 4.350 -0.048 0.000 0.263 728 T C 1.744 176.312 174.700 -0.221 0.000 1.039 728 T CA 0.706 62.674 62.100 -0.221 0.000 1.142 728 T CB -0.224 68.388 68.868 -0.427 0.000 0.868 728 T HN 0.076 nan 8.240 nan 0.000 0.435 729 L N 1.850 122.893 121.223 -0.300 0.000 2.051 729 L HA -0.108 4.203 4.340 -0.048 0.000 0.214 729 L C 2.252 179.065 176.870 -0.095 0.000 1.076 729 L CA 1.944 56.629 54.840 -0.258 0.000 0.758 729 L CB -0.612 41.211 42.059 -0.393 0.000 0.890 729 L HN 0.124 nan 8.230 nan 0.000 0.433 730 K N -0.544 119.814 120.400 -0.071 0.000 2.001 730 K HA -0.301 3.990 4.320 -0.048 0.000 0.214 730 K C 2.308 178.900 176.600 -0.014 0.000 1.050 730 K CA 2.019 58.297 56.287 -0.014 0.000 0.934 730 K CB -0.201 32.295 32.500 -0.007 0.000 0.718 730 K HN 0.161 nan 8.250 nan 0.000 0.443 731 K N 0.684 121.063 120.400 -0.037 0.000 2.009 731 K HA -0.133 4.159 4.320 -0.048 0.000 0.210 731 K C 1.870 178.444 176.600 -0.043 0.000 1.049 731 K CA 1.838 58.101 56.287 -0.040 0.000 0.929 731 K CB -0.617 31.857 32.500 -0.044 0.000 0.714 731 K HN 0.098 nan 8.250 nan 0.000 0.440 732 V N 0.576 120.469 119.914 -0.036 0.000 2.231 732 V HA -0.322 3.770 4.120 -0.048 0.000 0.248 732 V C 2.184 178.278 176.094 0.001 0.000 1.054 732 V CA 2.569 64.870 62.300 0.002 0.000 1.015 732 V CB -1.104 30.748 31.823 0.048 0.000 0.638 732 V HN 0.472 nan 8.190 nan 0.000 0.444 733 T N -0.407 114.206 114.554 0.099 0.000 2.737 733 T HA -0.246 4.075 4.350 -0.048 0.000 0.269 733 T C 1.775 176.430 174.700 -0.074 0.000 1.040 733 T CA 1.963 64.108 62.100 0.075 0.000 1.142 733 T CB -0.291 68.751 68.868 0.291 0.000 0.861 733 T HN 0.637 nan 8.240 nan 0.000 0.456 734 E N 0.828 120.998 120.200 -0.048 0.000 2.028 734 E HA -0.114 4.207 4.350 -0.048 0.000 0.190 734 E C 2.189 178.704 176.600 -0.141 0.000 0.984 734 E CA 1.010 57.367 56.400 -0.071 0.000 0.800 734 E CB -0.107 29.565 29.700 -0.046 0.000 0.758 734 E HN 0.426 nan 8.360 nan 0.000 0.448 735 D N 0.959 121.270 120.400 -0.147 0.000 2.149 735 D HA -0.163 4.449 4.640 -0.048 0.000 0.198 735 D C 2.102 178.202 176.300 -0.334 0.000 0.990 735 D CA 0.823 54.703 54.000 -0.200 0.000 0.839 735 D CB -0.078 40.638 40.800 -0.141 0.000 0.948 735 D HN 0.153 nan 8.370 nan 0.000 0.460 736 L N 0.879 121.871 121.223 -0.384 0.000 2.046 736 L HA -0.165 4.146 4.340 -0.048 0.000 0.208 736 L C 2.392 178.941 176.870 -0.535 0.000 1.077 736 L CA 1.156 55.638 54.840 -0.596 0.000 0.747 736 L CB -0.230 41.131 42.059 -1.163 0.000 0.896 736 L HN 0.006 nan 8.230 nan 0.000 0.432 737 E N -0.134 119.855 120.200 -0.352 0.000 2.106 737 E HA -0.187 4.134 4.350 -0.048 0.000 0.192 737 E C 2.005 178.472 176.600 -0.222 0.000 0.984 737 E CA 1.122 57.420 56.400 -0.171 0.000 0.806 737 E CB -0.114 29.552 29.700 -0.057 0.000 0.750 737 E HN 0.478 nan 8.360 nan 0.000 0.458 738 A N 0.426 123.094 122.820 -0.253 0.000 2.238 738 A HA 0.084 4.375 4.320 -0.048 0.000 0.208 738 A C 0.770 178.132 177.584 -0.370 0.000 1.177 738 A CA 0.076 51.975 52.037 -0.230 0.000 0.804 738 A CB -0.065 18.837 19.000 -0.164 0.000 0.823 738 A HN 0.244 nan 8.150 nan 0.000 0.482 739 L N -1.657 119.172 121.223 -0.657 0.000 3.598 739 L HA -0.164 4.148 4.340 -0.048 0.000 0.422 739 L C 0.410 176.677 176.870 -1.005 0.000 1.262 739 L CA 0.757 54.888 54.840 -1.180 0.000 0.889 739 L CB -1.770 39.535 42.059 -1.257 0.000 1.857 739 L HN 0.481 nan 8.230 nan 0.000 0.858 740 R N -0.710 119.355 120.500 -0.726 0.000 3.057 740 R HA 0.307 4.619 4.340 -0.048 0.000 0.291 740 R C 0.906 177.049 176.300 -0.262 0.000 1.394 740 R CA -0.418 55.465 56.100 -0.361 0.000 1.630 740 R CB 0.040 30.220 30.300 -0.201 0.000 1.268 740 R HN 0.137 nan 8.270 nan 0.000 0.621 741 F N 0.882 120.793 119.950 -0.065 0.000 2.202 741 F HA -0.293 4.206 4.527 -0.048 0.000 0.301 741 F C 2.318 178.124 175.800 0.011 0.000 1.082 741 F CA 1.133 59.157 58.000 0.038 0.000 1.313 741 F CB -0.410 38.633 39.000 0.073 0.000 1.024 741 F HN 0.365 nan 8.300 nan 0.000 0.495 742 N N 0.704 119.484 118.700 0.134 0.000 2.006 742 N HA -0.234 4.477 4.740 -0.048 0.000 0.196 742 N C 1.780 177.256 175.510 -0.056 0.000 1.057 742 N CA 2.543 55.577 53.050 -0.027 0.000 0.853 742 N CB -1.817 36.571 38.487 -0.164 0.000 1.051 742 N HN 0.372 nan 8.380 nan 0.000 0.423 743 T N -2.339 112.167 114.554 -0.081 0.000 2.897 743 T HA 0.092 4.413 4.350 -0.048 0.000 0.271 743 T C 2.019 176.689 174.700 -0.051 0.000 1.084 743 T CA 1.465 63.525 62.100 -0.066 0.000 1.123 743 T CB -0.636 68.189 68.868 -0.071 0.000 0.865 743 T HN 0.459 nan 8.240 nan 0.000 0.496 744 A N 1.165 123.956 122.820 -0.048 0.000 1.969 744 A HA 0.185 4.476 4.320 -0.048 0.000 0.218 744 A C 2.366 179.826 177.584 -0.206 0.000 1.169 744 A CA 1.180 53.175 52.037 -0.070 0.000 0.635 744 A CB -0.613 18.418 19.000 0.052 0.000 0.810 744 A HN 0.620 nan 8.150 nan 0.000 0.445 745 I N -0.906 119.528 120.570 -0.227 0.000 2.494 745 I HA -0.106 4.036 4.170 -0.048 0.000 0.250 745 I C 2.884 178.882 176.117 -0.197 0.000 1.112 745 I CA 0.743 61.819 61.300 -0.374 0.000 1.438 745 I CB -0.293 37.537 38.000 -0.283 0.000 1.111 745 I HN 0.323 nan 8.210 nan 0.000 0.431 746 A N 1.000 123.873 122.820 0.088 0.000 1.986 746 A HA -0.227 4.064 4.320 -0.048 0.000 0.220 746 A C 2.448 180.030 177.584 -0.003 0.000 1.171 746 A CA 2.042 54.178 52.037 0.165 0.000 0.640 746 A CB -0.641 18.464 19.000 0.175 0.000 0.811 746 A HN 0.456 nan 8.150 nan 0.000 0.451 747 A N -0.786 122.011 122.820 -0.039 0.000 1.970 747 A HA 0.137 4.428 4.320 -0.048 0.000 0.216 747 A C 2.094 179.676 177.584 -0.002 0.000 1.170 747 A CA 1.118 53.142 52.037 -0.022 0.000 0.645 747 A CB -0.399 18.574 19.000 -0.044 0.000 0.816 747 A HN 0.455 nan 8.150 nan 0.000 0.447 748 L N -0.934 120.241 121.223 -0.081 0.000 2.201 748 L HA -0.139 4.173 4.340 -0.048 0.000 0.212 748 L C 2.635 179.632 176.870 0.210 0.000 1.105 748 L CA 1.095 55.930 54.840 -0.009 0.000 0.775 748 L CB -0.321 41.620 42.059 -0.198 0.000 0.913 748 L HN 0.472 nan 8.230 nan 0.000 0.440 749 M N -1.046 118.532 119.600 -0.037 0.000 2.236 749 M HA -0.188 4.264 4.480 -0.048 0.000 0.266 749 M C 2.086 178.443 176.300 0.096 0.000 1.070 749 M CA 1.399 56.691 55.300 -0.013 0.000 1.137 749 M CB -0.351 31.983 32.600 -0.443 0.000 1.378 749 M HN 0.173 nan 8.290 nan 0.000 0.426 750 E N 0.763 121.012 120.200 0.082 0.000 2.077 750 E HA -0.225 4.096 4.350 -0.048 0.000 0.193 750 E C 1.851 178.562 176.600 0.186 0.000 0.989 750 E CA 1.355 57.820 56.400 0.108 0.000 0.800 750 E CB -0.110 29.648 29.700 0.097 0.000 0.746 750 E HN 0.400 nan 8.360 nan 0.000 0.452 751 F N 1.021 121.027 119.950 0.094 0.000 2.146 751 F HA -0.127 4.371 4.527 -0.048 0.000 0.298 751 F C 1.988 177.854 175.800 0.111 0.000 1.096 751 F CA 1.158 59.227 58.000 0.116 0.000 1.275 751 F CB -0.495 38.605 39.000 0.165 0.000 1.008 751 F HN 0.162 nan 8.300 nan 0.000 0.480 752 L N 1.179 122.501 121.223 0.165 0.000 2.013 752 L HA -0.309 4.002 4.340 -0.048 0.000 0.212 752 L C 2.096 178.854 176.870 -0.188 0.000 1.073 752 L CA 2.129 56.906 54.840 -0.105 0.000 0.753 752 L CB -1.228 40.852 42.059 0.035 0.000 0.890 752 L HN 0.102 nan 8.230 nan 0.000 0.432 753 N N 0.286 118.928 118.700 -0.096 0.000 2.084 753 N HA -0.162 4.550 4.740 -0.048 0.000 0.190 753 N C 1.882 177.385 175.510 -0.012 0.000 1.030 753 N CA 1.687 54.696 53.050 -0.068 0.000 0.849 753 N CB -0.760 37.720 38.487 -0.011 0.000 1.012 753 N HN 0.541 nan 8.380 nan 0.000 0.423 754 A N 1.091 123.878 122.820 -0.055 0.000 1.986 754 A HA -0.117 4.174 4.320 -0.048 0.000 0.220 754 A C 2.351 179.868 177.584 -0.111 0.000 1.171 754 A CA 1.128 53.125 52.037 -0.068 0.000 0.640 754 A CB -0.746 18.201 19.000 -0.089 0.000 0.811 754 A HN 0.252 nan 8.150 nan 0.000 0.451 755 L N -2.666 118.411 121.223 -0.242 0.000 2.131 755 L HA -0.100 4.211 4.340 -0.048 0.000 0.206 755 L C 2.449 179.457 176.870 0.230 0.000 1.087 755 L CA 0.824 55.597 54.840 -0.111 0.000 0.767 755 L CB -0.406 41.473 42.059 -0.300 0.000 0.917 755 L HN 0.392 nan 8.230 nan 0.000 0.441 756 Y N 0.307 120.593 120.300 -0.023 0.000 2.242 756 Y HA -0.171 4.350 4.550 -0.047 0.000 0.291 756 Y C 2.685 178.608 175.900 0.038 0.000 1.137 756 Y CA 0.827 58.941 58.100 0.022 0.000 1.181 756 Y CB -0.130 38.334 38.460 0.008 0.000 0.989 756 Y HN 0.146 nan 8.280 nan 0.000 0.527 757 E N -1.379 118.937 120.200 0.193 0.000 2.208 757 E HA -0.218 4.103 4.350 -0.048 0.000 0.193 757 E C 1.792 178.460 176.600 0.113 0.000 0.988 757 E CA 0.764 57.236 56.400 0.120 0.000 0.828 757 E CB -0.410 29.353 29.700 0.104 0.000 0.763 757 E HN 0.611 nan 8.360 nan 0.000 0.478 758 Y N 0.871 121.188 120.300 0.027 0.000 2.516 758 Y HA -0.024 4.497 4.550 -0.048 0.000 0.291 758 Y C 1.693 177.589 175.900 -0.007 0.000 1.131 758 Y CA 0.869 58.983 58.100 0.023 0.000 1.281 758 Y CB 0.312 38.804 38.460 0.053 0.000 1.013 758 Y HN -0.185 nan 8.280 nan 0.000 0.554 759 R N 0.455 120.950 120.500 -0.008 0.000 2.317 759 R HA 0.099 4.410 4.340 -0.048 0.000 0.208 759 R C 0.973 177.154 176.300 -0.198 0.000 0.914 759 R CA 0.311 56.309 56.100 -0.170 0.000 1.060 759 R CB 0.049 30.286 30.300 -0.106 0.000 1.015 759 R HN 0.423 nan 8.270 nan 0.000 0.498 760 K N -0.015 120.294 120.400 -0.152 0.000 2.367 760 K HA 0.069 4.361 4.320 -0.048 0.000 0.194 760 K C -0.020 176.495 176.600 -0.143 0.000 1.027 760 K CA 0.436 56.648 56.287 -0.125 0.000 1.075 760 K CB 0.699 33.157 32.500 -0.069 0.000 0.845 760 K HN 0.002 nan 8.250 nan 0.000 0.529 761 D N 0.245 120.521 120.400 -0.208 0.000 2.563 761 D HA 0.103 4.715 4.640 -0.048 0.000 0.256 761 D C -0.573 175.547 176.300 -0.301 0.000 1.400 761 D CA 0.019 53.899 54.000 -0.201 0.000 0.800 761 D CB 0.883 41.595 40.800 -0.146 0.000 1.145 761 D HN -0.104 nan 8.370 nan 0.000 0.501 762 R N 0.832 121.074 120.500 -0.429 0.000 2.629 762 R HA 0.462 4.774 4.340 -0.048 0.000 0.266 762 R C -2.894 173.136 176.300 -0.450 0.000 1.051 762 R CA -1.026 54.759 56.100 -0.524 0.000 0.895 762 R CB 1.952 31.639 30.300 -1.021 0.000 1.246 762 R HN -0.206 nan 8.270 nan 0.000 0.459 763 P HA 0.271 nan 4.420 nan 0.000 0.287 763 P C -0.839 176.296 177.300 -0.275 0.000 1.296 763 P CA -0.731 62.213 63.100 -0.261 0.000 0.811 763 P CB 0.656 32.253 31.700 -0.171 0.000 1.211 764 V N 1.066 120.798 119.914 -0.305 0.000 2.416 764 V HA 0.049 4.141 4.120 -0.048 0.000 0.260 764 V C 0.803 176.830 176.094 -0.112 0.000 1.018 764 V CA 0.726 62.825 62.300 -0.334 0.000 1.120 764 V CB -1.655 30.032 31.823 -0.226 0.000 1.081 764 V HN 0.676 nan 8.190 nan 0.000 0.474 765 T N 3.411 117.959 114.554 -0.010 0.000 2.944 765 T HA 0.454 4.775 4.350 -0.048 0.000 0.284 765 T C -1.740 172.964 174.700 0.007 0.000 1.010 765 T CA -2.165 59.944 62.100 0.016 0.000 1.025 765 T CB 1.963 70.859 68.868 0.048 0.000 1.079 765 T HN 0.252 nan 8.240 nan 0.000 0.516 766 P HA -0.119 nan 4.420 nan 0.000 0.216 766 P C 1.789 178.888 177.300 -0.335 0.000 1.153 766 P CA 0.491 63.526 63.100 -0.109 0.000 0.858 766 P CB -0.150 31.506 31.700 -0.074 0.000 0.789 767 V N -1.263 118.245 119.914 -0.676 0.000 2.332 767 V HA -0.288 3.803 4.120 -0.048 0.000 0.248 767 V C 2.204 178.151 176.094 -0.246 0.000 1.055 767 V CA 1.842 63.653 62.300 -0.816 0.000 1.038 767 V CB -1.136 30.314 31.823 -0.622 0.000 0.651 767 V HN 0.049 nan 8.190 nan 0.000 0.450 768 Y N 1.129 121.289 120.300 -0.235 0.000 2.181 768 Y HA -0.257 4.264 4.550 -0.048 0.000 0.288 768 Y C 2.744 178.591 175.900 -0.089 0.000 1.146 768 Y CA 2.479 60.487 58.100 -0.154 0.000 1.164 768 Y CB -0.293 38.161 38.460 -0.010 0.000 0.982 768 Y HN 0.206 nan 8.280 nan 0.000 0.515 769 R N -0.444 120.139 120.500 0.138 0.000 2.094 769 R HA -0.197 4.114 4.340 -0.048 0.000 0.239 769 R C 2.183 178.479 176.300 -0.007 0.000 1.137 769 R CA 2.313 58.450 56.100 0.063 0.000 0.943 769 R CB -0.855 29.495 30.300 0.082 0.000 0.850 769 R HN 0.315 nan 8.270 nan 0.000 0.433 770 T N 0.711 115.264 114.554 -0.001 0.000 2.653 770 T HA -0.226 4.095 4.350 -0.048 0.000 0.268 770 T C 1.742 176.318 174.700 -0.206 0.000 1.035 770 T CA 1.690 63.740 62.100 -0.084 0.000 1.154 770 T CB -0.393 68.500 68.868 0.042 0.000 0.862 770 T HN 0.549 nan 8.240 nan 0.000 0.441 771 A N 1.460 124.181 122.820 -0.165 0.000 1.892 771 A HA -0.111 4.180 4.320 -0.048 0.000 0.218 771 A C 2.231 179.806 177.584 -0.015 0.000 1.188 771 A CA 1.427 53.418 52.037 -0.077 0.000 0.631 771 A CB -0.697 18.225 19.000 -0.130 0.000 0.822 771 A HN 0.439 nan 8.150 nan 0.000 0.447 772 I N -0.447 120.018 120.570 -0.175 0.000 2.179 772 I HA -0.204 3.937 4.170 -0.048 0.000 0.242 772 I C 2.546 178.719 176.117 0.093 0.000 1.088 772 I CA 1.809 63.057 61.300 -0.086 0.000 1.357 772 I CB -1.264 36.620 38.000 -0.193 0.000 1.051 772 I HN 0.486 nan 8.210 nan 0.000 0.409 773 R N 0.163 120.690 120.500 0.044 0.000 2.097 773 R HA -0.253 4.059 4.340 -0.048 0.000 0.236 773 R C 2.537 178.939 176.300 0.171 0.000 1.135 773 R CA 1.932 57.995 56.100 -0.062 0.000 0.934 773 R CB -0.487 29.639 30.300 -0.290 0.000 0.846 773 R HN 0.145 nan 8.270 nan 0.000 0.431 774 Y N -0.224 120.024 120.300 -0.086 0.000 2.151 774 Y HA -0.275 4.246 4.550 -0.048 0.000 0.284 774 Y C 2.194 177.999 175.900 -0.159 0.000 1.166 774 Y CA 1.233 59.219 58.100 -0.190 0.000 1.163 774 Y CB -1.083 37.233 38.460 -0.239 0.000 0.974 774 Y HN 0.245 nan 8.280 nan 0.000 0.511 775 Y N -0.093 120.238 120.300 0.051 0.000 2.145 775 Y HA -0.228 4.294 4.550 -0.048 0.000 0.286 775 Y C 2.262 178.172 175.900 0.016 0.000 1.145 775 Y CA 1.504 59.627 58.100 0.038 0.000 1.148 775 Y CB -0.544 37.987 38.460 0.119 0.000 0.981 775 Y HN 0.007 nan 8.280 nan 0.000 0.507 776 L N -0.283 121.104 121.223 0.273 0.000 2.083 776 L HA -0.283 4.028 4.340 -0.048 0.000 0.209 776 L C 2.412 179.261 176.870 -0.036 0.000 1.083 776 L CA 1.612 56.575 54.840 0.205 0.000 0.752 776 L CB -0.599 41.700 42.059 0.399 0.000 0.899 776 L HN 0.310 nan 8.230 nan 0.000 0.433 777 Q N -0.695 118.992 119.800 -0.187 0.000 2.119 777 Q HA -0.132 4.179 4.340 -0.048 0.000 0.201 777 Q C 2.244 178.054 176.000 -0.318 0.000 0.972 777 Q CA 1.281 56.843 55.803 -0.402 0.000 0.847 777 Q CB 0.000 28.400 28.738 -0.564 0.000 0.903 777 Q HN 0.515 nan 8.270 nan 0.000 0.433 778 M N -0.352 119.026 119.600 -0.369 0.000 2.562 778 M HA -0.068 4.383 4.480 -0.048 0.000 0.257 778 M C 1.585 177.939 176.300 0.091 0.000 1.099 778 M CA 0.541 55.705 55.300 -0.226 0.000 1.099 778 M CB 0.211 32.600 32.600 -0.351 0.000 1.427 778 M HN 0.204 nan 8.290 nan 0.000 0.489 779 L N -0.845 120.387 121.223 0.014 0.000 2.202 779 L HA 0.042 4.353 4.340 -0.048 0.000 0.205 779 L C 1.908 178.903 176.870 0.208 0.000 1.083 779 L CA 1.083 56.010 54.840 0.144 0.000 0.790 779 L CB -0.536 41.557 42.059 0.057 0.000 0.942 779 L HN 0.109 nan 8.230 nan 0.000 0.452 780 F N 1.491 121.382 119.950 -0.098 0.000 2.204 780 F HA -0.210 4.288 4.527 -0.047 0.000 0.301 780 F C -0.883 174.717 175.800 -0.332 0.000 1.058 780 F CA 1.702 59.547 58.000 -0.257 0.000 1.313 780 F CB -1.296 37.462 39.000 -0.404 0.000 1.051 780 F HN 0.209 nan 8.300 nan 0.000 0.505 781 P HA -0.011 nan 4.420 nan 0.000 0.226 781 P C 1.229 178.037 177.300 -0.820 0.000 1.161 781 P CA 1.325 63.960 63.100 -0.776 0.000 0.804 781 P CB -0.067 31.116 31.700 -0.862 0.000 0.829 782 F N -0.580 119.232 119.950 -0.229 0.000 2.317 782 F HA 0.308 4.806 4.527 -0.048 0.000 0.290 782 F C 1.328 177.049 175.800 -0.131 0.000 1.075 782 F CA 0.111 58.009 58.000 -0.171 0.000 1.380 782 F CB -0.612 38.345 39.000 -0.072 0.000 1.093 782 F HN -0.269 nan 8.300 nan 0.000 0.524 783 A N 1.319 124.195 122.820 0.095 0.000 3.105 783 A HA 0.398 4.690 4.320 -0.048 0.000 0.336 783 A C -1.864 175.708 177.584 -0.022 0.000 1.042 783 A CA -1.167 50.908 52.037 0.065 0.000 0.851 783 A CB -0.291 18.778 19.000 0.115 0.000 1.068 783 A HN -0.031 nan 8.150 nan 0.000 0.477 784 P HA -0.188 nan 4.420 nan 0.000 0.220 784 P C 0.841 178.218 177.300 0.128 0.000 1.148 784 P CA 1.479 64.325 63.100 -0.423 0.000 0.803 784 P CB 0.133 31.178 31.700 -1.090 0.000 0.782 785 H N -0.112 119.170 119.070 0.354 0.000 2.265 785 H HA -0.035 4.492 4.556 -0.048 0.000 0.305 785 H C 2.069 177.533 175.328 0.226 0.000 1.054 785 H CA 0.763 57.035 56.048 0.372 0.000 1.296 785 H CB -1.037 28.954 29.762 0.381 0.000 1.395 785 H HN -0.036 nan 8.280 nan 0.000 0.502 786 L N 1.248 122.699 121.223 0.380 0.000 2.189 786 L HA -0.169 4.142 4.340 -0.048 0.000 0.214 786 L C 2.148 179.096 176.870 0.129 0.000 1.097 786 L CA 1.736 56.728 54.840 0.253 0.000 0.764 786 L CB -0.873 41.246 42.059 0.100 0.000 0.900 786 L HN 0.330 nan 8.230 nan 0.000 0.436 787 A N -0.859 122.044 122.820 0.139 0.000 1.897 787 A HA -0.162 4.129 4.320 -0.048 0.000 0.215 787 A C 2.258 179.887 177.584 0.076 0.000 1.181 787 A CA 1.302 53.414 52.037 0.125 0.000 0.620 787 A CB -0.563 18.550 19.000 0.190 0.000 0.821 787 A HN 0.503 nan 8.150 nan 0.000 0.443 788 E N -0.130 120.054 120.200 -0.026 0.000 2.208 788 E HA -0.143 4.178 4.350 -0.048 0.000 0.193 788 E C 1.827 178.253 176.600 -0.290 0.000 0.988 788 E CA 1.321 57.508 56.400 -0.355 0.000 0.828 788 E CB -0.060 29.138 29.700 -0.836 0.000 0.763 788 E HN 0.586 nan 8.360 nan 0.000 0.478 789 E N 0.333 120.518 120.200 -0.024 0.000 1.999 789 E HA -0.117 4.204 4.350 -0.048 0.000 0.194 789 E C 1.937 178.460 176.600 -0.129 0.000 0.995 789 E CA 1.614 58.179 56.400 0.276 0.000 0.825 789 E CB -0.521 29.390 29.700 0.352 0.000 0.777 789 E HN 0.323 nan 8.360 nan 0.000 0.459 790 L N 0.199 121.169 121.223 -0.422 0.000 2.129 790 L HA -0.204 4.108 4.340 -0.048 0.000 0.212 790 L C 2.596 179.469 176.870 0.006 0.000 1.087 790 L CA 1.519 55.913 54.840 -0.743 0.000 0.757 790 L CB -0.831 40.969 42.059 -0.433 0.000 0.896 790 L HN 0.428 nan 8.230 nan 0.000 0.434 791 W N 1.266 122.629 121.300 0.104 0.000 2.363 791 W HA -0.218 4.413 4.660 -0.047 0.000 0.296 791 W C 2.337 179.162 176.519 0.511 0.000 1.212 791 W CA 1.814 59.402 57.345 0.405 0.000 1.260 791 W CB -0.333 29.249 29.460 0.204 0.000 1.131 791 W HN 0.272 nan 8.180 nan 0.000 0.530 792 H N -1.304 117.976 119.070 0.350 0.000 2.495 792 H HA -0.121 4.407 4.556 -0.047 0.000 0.287 792 H C 1.716 177.137 175.328 0.155 0.000 1.033 792 H CA 2.019 58.245 56.048 0.296 0.000 1.307 792 H CB -0.927 29.098 29.762 0.439 0.000 1.401 792 H HN 0.097 nan 8.280 nan 0.000 0.555 793 W N -0.317 120.927 121.300 -0.093 0.000 2.424 793 W HA -0.110 4.521 4.660 -0.048 0.000 0.264 793 W C 0.873 176.744 176.519 -1.081 0.000 1.229 793 W CA 0.900 57.875 57.345 -0.616 0.000 1.208 793 W CB -0.766 28.121 29.460 -0.954 0.000 1.127 793 W HN 0.253 nan 8.180 nan 0.000 0.588 794 F N -4.527 115.268 119.950 -0.258 0.000 2.658 794 F HA 0.202 4.700 4.527 -0.048 0.000 0.293 794 F C 0.945 176.118 175.800 -1.046 0.000 0.986 794 F CA -0.572 56.916 58.000 -0.853 0.000 1.182 794 F CB -0.493 37.496 39.000 -1.685 0.000 0.965 794 F HN -0.386 nan 8.300 nan 0.000 0.659 795 W N 2.983 124.110 121.300 -0.290 0.000 2.627 795 W HA 0.317 4.948 4.660 -0.048 0.000 0.339 795 W C -1.852 174.492 176.519 -0.291 0.000 1.058 795 W CA -1.643 55.469 57.345 -0.389 0.000 1.223 795 W CB 0.718 29.669 29.460 -0.849 0.000 1.389 795 W HN -0.263 nan 8.180 nan 0.000 0.541 796 P HA -0.138 nan 4.420 nan 0.000 0.199 796 P C 0.257 177.585 177.300 0.047 0.000 1.169 796 P CA 1.198 64.328 63.100 0.050 0.000 0.900 796 P CB 0.121 31.896 31.700 0.125 0.000 0.733 797 D N 0.157 120.694 120.400 0.228 0.000 2.364 797 D HA 0.000 4.612 4.640 -0.048 0.000 0.236 797 D C 0.701 177.247 176.300 0.408 0.000 1.221 797 D CA 0.359 54.564 54.000 0.341 0.000 0.891 797 D CB 0.266 41.251 40.800 0.309 0.000 1.190 797 D HN 0.065 nan 8.370 nan 0.000 0.449 798 S N 0.332 116.351 115.700 0.532 0.000 2.563 798 S HA -0.035 4.407 4.470 -0.048 0.000 0.284 798 S C 1.650 176.136 174.600 -0.190 0.000 1.331 798 S CA -0.588 57.867 58.200 0.426 0.000 1.047 798 S CB 0.340 63.843 63.200 0.506 0.000 0.859 798 S HN 0.394 nan 8.310 nan 0.000 0.514 799 L N 3.863 124.655 121.223 -0.718 0.000 2.263 799 L HA -0.128 4.184 4.340 -0.048 0.000 0.216 799 L C 1.738 177.915 176.870 -1.154 0.000 1.111 799 L CA 1.301 55.282 54.840 -1.430 0.000 0.773 799 L CB -0.422 40.387 42.059 -2.083 0.000 0.906 799 L HN 0.781 nan 8.230 nan 0.000 0.439 800 F N 0.157 119.567 119.950 -0.900 0.000 2.216 800 F HA -0.208 4.290 4.527 -0.048 0.000 0.300 800 F C 2.252 177.786 175.800 -0.443 0.000 1.085 800 F CA 1.195 58.785 58.000 -0.683 0.000 1.326 800 F CB 0.062 38.417 39.000 -1.076 0.000 1.027 800 F HN 0.154 nan 8.300 nan 0.000 0.497 801 E N -0.305 119.792 120.200 -0.171 0.000 2.479 801 E HA 0.106 4.427 4.350 -0.048 0.000 0.193 801 E C 1.904 178.449 176.600 -0.092 0.000 1.049 801 E CA 0.400 56.766 56.400 -0.057 0.000 0.870 801 E CB 0.089 29.822 29.700 0.056 0.000 0.944 801 E HN 0.350 nan 8.360 nan 0.000 0.492 802 A N 1.831 124.505 122.820 -0.243 0.000 1.968 802 A HA 0.196 4.487 4.320 -0.048 0.000 0.217 802 A C 1.362 178.836 177.584 -0.185 0.000 1.169 802 A CA 1.092 52.972 52.037 -0.261 0.000 0.638 802 A CB -0.497 18.106 19.000 -0.661 0.000 0.812 802 A HN 0.332 nan 8.150 nan 0.000 0.446 803 G N -2.969 105.731 108.800 -0.166 0.000 2.758 803 G HA2 -0.175 3.756 3.960 -0.048 0.000 0.686 803 G HA3 -0.175 3.756 3.960 -0.048 0.000 0.686 803 G C -0.340 174.521 174.900 -0.065 0.000 1.389 803 G CA -0.198 44.851 45.100 -0.085 0.000 0.845 803 G HN 0.880 nan 8.290 nan 0.000 0.572 804 W N 1.843 123.012 121.300 -0.218 0.000 2.365 804 W HA 0.518 5.149 4.660 -0.048 0.000 0.316 804 W C -1.757 174.614 176.519 -0.246 0.000 1.164 804 W CA -1.610 55.610 57.345 -0.210 0.000 1.204 804 W CB 1.082 30.451 29.460 -0.152 0.000 1.213 804 W HN 0.530 nan 8.180 nan 0.000 0.539 805 P HA -0.131 nan 4.420 nan 0.000 0.264 805 P C -0.856 176.154 177.300 -0.484 0.000 1.173 805 P CA 0.931 63.475 63.100 -0.928 0.000 0.761 805 P CB 0.468 31.227 31.700 -1.569 0.000 0.794 806 E N 1.775 121.799 120.200 -0.294 0.000 2.200 806 E HA 0.229 4.551 4.350 -0.048 0.000 0.283 806 E C -0.531 176.069 176.600 -0.000 0.000 1.015 806 E CA -0.857 55.501 56.400 -0.070 0.000 0.819 806 E CB 0.465 30.171 29.700 0.009 0.000 1.081 806 E HN 0.253 nan 8.360 nan 0.000 0.397 807 L N 4.099 125.347 121.223 0.041 0.000 2.426 807 L HA 0.148 4.459 4.340 -0.048 0.000 0.271 807 L C -0.447 176.538 176.870 0.191 0.000 1.169 807 L CA 0.477 55.401 54.840 0.139 0.000 0.836 807 L CB 1.052 43.166 42.059 0.091 0.000 1.112 807 L HN 0.453 nan 8.230 nan 0.000 0.465 808 D N 2.713 123.280 120.400 0.278 0.000 2.460 808 D HA 0.155 4.766 4.640 -0.048 0.000 0.268 808 D C 0.782 177.067 176.300 -0.024 0.000 1.153 808 D CA -0.210 53.797 54.000 0.012 0.000 0.929 808 D CB 0.598 41.233 40.800 -0.276 0.000 1.015 808 D HN 0.571 nan 8.370 nan 0.000 0.502 809 E N 2.183 122.397 120.200 0.023 0.000 2.113 809 E HA -0.297 4.024 4.350 -0.048 0.000 0.210 809 E C 1.302 177.906 176.600 0.007 0.000 1.040 809 E CA 1.362 57.774 56.400 0.020 0.000 0.847 809 E CB -0.026 29.687 29.700 0.022 0.000 0.755 809 E HN 0.559 nan 8.360 nan 0.000 0.459 810 K N 0.395 120.798 120.400 0.004 0.000 2.362 810 K HA -0.103 4.189 4.320 -0.048 0.000 0.202 810 K C 1.934 178.547 176.600 0.021 0.000 1.045 810 K CA 1.067 57.361 56.287 0.012 0.000 0.936 810 K CB -0.124 32.384 32.500 0.012 0.000 0.747 810 K HN 0.123 nan 8.250 nan 0.000 0.467 811 A N 0.612 123.428 122.820 -0.007 0.000 2.123 811 A HA 0.038 4.330 4.320 -0.048 0.000 0.214 811 A C 1.856 179.458 177.584 0.030 0.000 1.152 811 A CA 0.585 52.632 52.037 0.017 0.000 0.728 811 A CB -0.226 18.652 19.000 -0.204 0.000 0.814 811 A HN 0.147 nan 8.150 nan 0.000 0.464 812 L N -0.320 120.916 121.223 0.021 0.000 2.270 812 L HA 0.004 4.315 4.340 -0.048 0.000 0.210 812 L C 0.490 177.385 176.870 0.041 0.000 1.104 812 L CA 0.083 54.944 54.840 0.035 0.000 0.804 812 L CB -0.418 41.659 42.059 0.030 0.000 0.937 812 L HN 0.346 nan 8.230 nan 0.000 0.450 813 E N 2.349 122.572 120.200 0.039 0.000 2.694 813 E HA -0.052 4.269 4.350 -0.048 0.000 0.250 813 E C -0.312 176.317 176.600 0.050 0.000 0.963 813 E CA 0.610 57.034 56.400 0.040 0.000 0.949 813 E CB 0.306 30.028 29.700 0.037 0.000 0.911 813 E HN 0.241 nan 8.360 nan 0.000 0.500 814 K N 3.203 123.631 120.400 0.046 0.000 2.130 814 K HA 0.185 4.476 4.320 -0.048 0.000 0.268 814 K C -0.465 176.166 176.600 0.053 0.000 0.983 814 K CA -0.691 55.628 56.287 0.053 0.000 0.893 814 K CB 0.858 33.387 32.500 0.049 0.000 1.066 814 K HN 0.463 nan 8.250 nan 0.000 0.450 815 D N 0.478 120.914 120.400 0.060 0.000 2.476 815 D HA 0.186 4.797 4.640 -0.048 0.000 0.251 815 D C -0.409 175.931 176.300 0.066 0.000 1.291 815 D CA -0.849 53.186 54.000 0.059 0.000 0.939 815 D CB 1.102 41.935 40.800 0.055 0.000 1.221 815 D HN 0.250 nan 8.370 nan 0.000 0.567 816 V N 0.630 120.586 119.914 0.070 0.000 5.738 816 V HA -0.187 3.905 4.120 -0.048 0.000 0.352 816 V C 0.188 176.342 176.094 0.100 0.000 0.534 816 V CA -0.056 62.295 62.300 0.085 0.000 1.243 816 V CB -1.887 29.986 31.823 0.083 0.000 1.437 816 V HN 0.592 nan 8.190 nan 0.000 0.537 817 V N 1.070 121.034 119.914 0.084 0.000 2.863 817 V HA 0.485 4.577 4.120 -0.048 0.000 0.307 817 V C 0.649 176.783 176.094 0.066 0.000 1.061 817 V CA -0.248 62.096 62.300 0.073 0.000 1.024 817 V CB 1.992 33.839 31.823 0.039 0.000 1.049 817 V HN 0.820 nan 8.190 nan 0.000 0.471 818 E N 1.481 121.706 120.200 0.043 0.000 2.229 818 E HA 0.462 4.784 4.350 -0.048 0.000 0.283 818 E C -1.329 175.207 176.600 -0.107 0.000 1.030 818 E CA -0.345 55.996 56.400 -0.099 0.000 0.836 818 E CB 1.440 31.074 29.700 -0.110 0.000 1.068 818 E HN 0.474 nan 8.360 nan 0.000 0.401 819 V N 3.227 123.059 119.914 -0.138 0.000 2.581 819 V HA 0.575 4.666 4.120 -0.048 0.000 0.303 819 V C -0.054 175.981 176.094 -0.097 0.000 1.041 819 V CA -0.705 61.540 62.300 -0.091 0.000 0.907 819 V CB 1.568 33.364 31.823 -0.044 0.000 0.994 819 V HN 0.858 nan 8.190 nan 0.000 0.442 820 A N 3.984 126.760 122.820 -0.073 0.000 2.301 820 A HA 0.713 5.004 4.320 -0.048 0.000 0.298 820 A C -0.521 177.043 177.584 -0.034 0.000 1.185 820 A CA -0.404 51.600 52.037 -0.056 0.000 0.830 820 A CB 0.796 19.769 19.000 -0.045 0.000 1.112 820 A HN 0.709 nan 8.150 nan 0.000 0.508 821 V N 4.303 124.203 119.914 -0.024 0.000 2.333 821 V HA 0.394 4.485 4.120 -0.048 0.000 0.274 821 V C 0.139 176.232 176.094 -0.002 0.000 1.028 821 V CA -0.371 61.926 62.300 -0.004 0.000 0.851 821 V CB 0.488 32.309 31.823 -0.004 0.000 1.000 821 V HN 1.005 nan 8.190 nan 0.000 0.456 822 Q N 3.814 123.617 119.800 0.004 0.000 2.345 822 Q HA 0.862 5.173 4.340 -0.048 0.000 0.268 822 Q C -1.682 174.326 176.000 0.014 0.000 1.054 822 Q CA -0.903 54.903 55.803 0.005 0.000 0.835 822 Q CB 2.729 31.466 28.738 -0.000 0.000 1.339 822 Q HN 0.380 nan 8.270 nan 0.000 0.447 823 V N 2.771 122.694 119.914 0.014 0.000 2.487 823 V HA 0.264 4.355 4.120 -0.048 0.000 0.298 823 V C -0.246 175.858 176.094 0.016 0.000 1.028 823 V CA -0.920 61.392 62.300 0.019 0.000 0.860 823 V CB 1.399 33.236 31.823 0.024 0.000 0.991 823 V HN 0.999 nan 8.190 nan 0.000 0.427 824 N N 4.085 122.794 118.700 0.016 0.000 2.686 824 N HA -0.223 4.488 4.740 -0.048 0.000 0.261 824 N C 1.276 176.791 175.510 0.010 0.000 1.001 824 N CA 1.294 54.352 53.050 0.013 0.000 0.764 824 N CB -0.614 37.881 38.487 0.013 0.000 0.898 824 N HN 1.506 nan 8.380 nan 0.000 0.544 825 G N -0.657 108.148 108.800 0.008 0.000 2.196 825 G HA2 -0.373 3.558 3.960 -0.048 0.000 0.268 825 G HA3 -0.373 3.558 3.960 -0.048 0.000 0.268 825 G C 0.255 175.158 174.900 0.004 0.000 0.975 825 G CA 0.993 46.096 45.100 0.005 0.000 0.648 825 G HN 0.609 nan 8.290 nan 0.000 0.538 826 R N -0.549 119.954 120.500 0.006 0.000 2.532 826 R HA 0.531 4.842 4.340 -0.048 0.000 0.295 826 R C -0.134 176.168 176.300 0.004 0.000 0.968 826 R CA -0.832 55.271 56.100 0.005 0.000 0.916 826 R CB 2.133 32.438 30.300 0.008 0.000 1.124 826 R HN 0.036 nan 8.270 nan 0.000 0.463 827 V N 5.294 125.209 119.914 0.001 0.000 2.352 827 V HA 0.046 4.137 4.120 -0.048 0.000 0.253 827 V C 1.236 177.330 176.094 0.000 0.000 1.083 827 V CA 0.018 62.317 62.300 -0.002 0.000 0.993 827 V CB 0.512 32.331 31.823 -0.005 0.000 1.111 827 V HN 0.622 nan 8.190 nan 0.000 0.490 828 R N 3.147 123.647 120.500 0.001 0.000 2.115 828 R HA 0.229 4.540 4.340 -0.048 0.000 0.226 828 R C 0.955 177.254 176.300 -0.002 0.000 1.100 828 R CA 0.844 56.945 56.100 0.003 0.000 0.980 828 R CB -0.029 30.274 30.300 0.006 0.000 0.875 828 R HN 0.785 nan 8.270 nan 0.000 0.445 829 G N -1.011 107.784 108.800 -0.009 0.000 2.342 829 G HA2 0.263 4.194 3.960 -0.048 0.000 0.297 829 G HA3 0.263 4.194 3.960 -0.048 0.000 0.297 829 G C -1.516 173.366 174.900 -0.031 0.000 1.313 829 G CA -0.162 44.930 45.100 -0.014 0.000 0.830 829 G HN 0.069 nan 8.290 nan 0.000 0.506 830 T N -1.265 113.261 114.554 -0.047 0.000 2.937 830 T HA 0.672 4.993 4.350 -0.048 0.000 0.297 830 T C 0.032 174.630 174.700 -0.170 0.000 0.991 830 T CA -0.474 61.561 62.100 -0.107 0.000 0.990 830 T CB 0.888 69.681 68.868 -0.126 0.000 0.991 830 T HN 1.305 nan 8.240 nan 0.000 0.440 831 I N 0.151 120.613 120.570 -0.180 0.000 3.062 831 I HA 0.644 4.785 4.170 -0.048 0.000 0.316 831 I C -0.506 175.409 176.117 -0.336 0.000 1.041 831 I CA -1.327 59.883 61.300 -0.150 0.000 1.069 831 I CB 1.526 39.510 38.000 -0.026 0.000 1.300 831 I HN 0.630 nan 8.210 nan 0.000 0.518 832 H N 3.420 122.509 119.070 0.031 0.000 2.887 832 H HA 0.549 5.076 4.556 -0.048 0.000 0.300 832 H C -1.037 174.315 175.328 0.040 0.000 1.038 832 H CA -0.389 55.680 56.048 0.035 0.000 1.352 832 H CB 1.423 31.203 29.762 0.030 0.000 1.473 832 H HN 0.576 nan 8.280 nan 0.000 0.503 833 I N -0.173 120.467 120.570 0.117 0.000 2.969 833 I HA 0.540 4.682 4.170 -0.048 0.000 0.307 833 I C -3.027 173.148 176.117 0.097 0.000 1.149 833 I CA -2.968 58.394 61.300 0.103 0.000 1.008 833 I CB 1.657 39.714 38.000 0.095 0.000 1.232 833 I HN 0.065 nan 8.210 nan 0.000 0.435 834 P HA 0.036 nan 4.420 nan 0.000 0.270 834 P C 0.234 177.588 177.300 0.091 0.000 1.221 834 P CA -0.192 62.955 63.100 0.079 0.000 0.788 834 P CB 0.546 32.285 31.700 0.065 0.000 0.904 835 K N 1.075 121.520 120.400 0.075 0.000 2.097 835 K HA -0.163 4.128 4.320 -0.048 0.000 0.205 835 K C 0.481 177.139 176.600 0.097 0.000 1.050 835 K CA 1.937 58.265 56.287 0.070 0.000 0.938 835 K CB -0.276 32.253 32.500 0.049 0.000 0.718 835 K HN 0.401 nan 8.250 nan 0.000 0.442 836 D N 0.562 121.017 120.400 0.091 0.000 2.349 836 D HA 0.083 4.694 4.640 -0.048 0.000 0.215 836 D C 0.057 176.422 176.300 0.108 0.000 1.016 836 D CA 0.221 54.279 54.000 0.097 0.000 0.870 836 D CB 0.169 41.006 40.800 0.062 0.000 0.917 836 D HN 0.243 nan 8.370 nan 0.000 0.524 837 A N 1.863 124.749 122.820 0.110 0.000 2.592 837 A HA 0.084 4.376 4.320 -0.048 0.000 0.250 837 A C -2.120 175.465 177.584 0.001 0.000 1.017 837 A CA -0.498 51.580 52.037 0.068 0.000 0.794 837 A CB -0.256 18.800 19.000 0.093 0.000 0.917 837 A HN 0.014 nan 8.150 nan 0.000 0.515 838 P HA 0.175 nan 4.420 nan 0.000 0.271 838 P C 0.787 177.861 177.300 -0.376 0.000 1.216 838 P CA -0.541 62.458 63.100 -0.168 0.000 0.776 838 P CB 0.461 32.106 31.700 -0.091 0.000 0.881 839 L N 2.208 123.104 121.223 -0.544 0.000 2.123 839 L HA -0.276 4.035 4.340 -0.048 0.000 0.217 839 L C 1.905 178.568 176.870 -0.346 0.000 1.081 839 L CA 2.053 56.499 54.840 -0.655 0.000 0.772 839 L CB -1.482 40.364 42.059 -0.355 0.000 0.890 839 L HN 0.431 nan 8.230 nan 0.000 0.437 840 E N -0.835 119.239 120.200 -0.209 0.000 2.152 840 E HA -0.094 4.227 4.350 -0.048 0.000 0.192 840 E C 2.278 178.817 176.600 -0.102 0.000 0.983 840 E CA 0.888 57.216 56.400 -0.120 0.000 0.818 840 E CB -0.210 29.443 29.700 -0.078 0.000 0.758 840 E HN 0.306 nan 8.360 nan 0.000 0.467 841 V N 0.635 120.479 119.914 -0.117 0.000 2.453 841 V HA -0.154 3.937 4.120 -0.048 0.000 0.247 841 V C 2.104 178.164 176.094 -0.056 0.000 1.048 841 V CA 1.599 63.859 62.300 -0.068 0.000 1.049 841 V CB -0.710 31.084 31.823 -0.049 0.000 0.672 841 V HN 0.318 nan 8.190 nan 0.000 0.457 842 A N 0.544 123.300 122.820 -0.106 0.000 1.840 842 A HA -0.167 4.125 4.320 -0.048 0.000 0.214 842 A C 2.391 179.962 177.584 -0.021 0.000 1.198 842 A CA 1.656 53.677 52.037 -0.026 0.000 0.608 842 A CB -0.611 18.398 19.000 0.015 0.000 0.839 842 A HN 0.429 nan 8.150 nan 0.000 0.443 843 R N -0.127 120.335 120.500 -0.063 0.000 2.133 843 R HA -0.256 4.056 4.340 -0.048 0.000 0.245 843 R C 2.227 178.514 176.300 -0.021 0.000 1.137 843 R CA 2.132 58.214 56.100 -0.031 0.000 0.947 843 R CB -0.577 29.695 30.300 -0.045 0.000 0.865 843 R HN 0.446 nan 8.270 nan 0.000 0.437 844 A N 1.089 123.893 122.820 -0.026 0.000 1.841 844 A HA -0.179 4.113 4.320 -0.048 0.000 0.216 844 A C 1.996 179.571 177.584 -0.015 0.000 1.199 844 A CA 1.625 53.653 52.037 -0.015 0.000 0.621 844 A CB -0.737 18.255 19.000 -0.014 0.000 0.835 844 A HN 0.450 nan 8.150 nan 0.000 0.445 845 E N -0.224 119.972 120.200 -0.007 0.000 2.455 845 E HA -0.111 4.210 4.350 -0.048 0.000 0.202 845 E C 1.961 178.555 176.600 -0.008 0.000 1.045 845 E CA 0.900 57.301 56.400 0.003 0.000 0.872 845 E CB -0.248 29.465 29.700 0.022 0.000 0.792 845 E HN 0.574 nan 8.360 nan 0.000 0.542 846 A N 0.329 123.137 122.820 -0.020 0.000 1.871 846 A HA 0.015 4.306 4.320 -0.048 0.000 0.211 846 A C 2.125 179.651 177.584 -0.097 0.000 1.207 846 A CA 0.123 52.138 52.037 -0.036 0.000 0.620 846 A CB -0.539 18.454 19.000 -0.012 0.000 0.860 846 A HN 0.219 nan 8.150 nan 0.000 0.450 847 L N -0.070 121.083 121.223 -0.116 0.000 2.574 847 L HA -0.188 4.124 4.340 -0.048 0.000 0.230 847 L C 0.998 177.622 176.870 -0.410 0.000 1.160 847 L CA 1.732 56.413 54.840 -0.265 0.000 0.807 847 L CB -0.607 41.395 42.059 -0.094 0.000 0.931 847 L HN 0.613 nan 8.230 nan 0.000 0.450 848 K N -0.955 119.324 120.400 -0.202 0.000 3.278 848 K HA 0.334 4.625 4.320 -0.048 0.000 0.200 848 K C 0.005 176.557 176.600 -0.080 0.000 1.107 848 K CA -0.527 55.676 56.287 -0.141 0.000 0.923 848 K CB 0.140 32.605 32.500 -0.058 0.000 0.787 848 K HN -0.028 nan 8.250 nan 0.000 0.481 849 V N -1.383 118.476 119.914 -0.092 0.000 3.747 849 V HA 0.034 4.125 4.120 -0.048 0.000 0.299 849 V C 1.693 177.778 176.094 -0.016 0.000 1.103 849 V CA -0.282 61.994 62.300 -0.040 0.000 1.154 849 V CB 0.177 31.976 31.823 -0.040 0.000 1.127 849 V HN 0.505 nan 8.190 nan 0.000 0.482 850 R N 1.634 122.136 120.500 0.004 0.000 2.143 850 R HA -0.187 4.124 4.340 -0.048 0.000 0.239 850 R C 1.715 178.021 176.300 0.010 0.000 1.126 850 R CA 2.336 58.444 56.100 0.014 0.000 0.927 850 R CB -0.618 29.695 30.300 0.022 0.000 0.860 850 R HN 1.029 nan 8.270 nan 0.000 0.433 851 N N 0.044 118.750 118.700 0.009 0.000 2.251 851 N HA -0.005 4.706 4.740 -0.048 0.000 0.217 851 N C 0.180 175.698 175.510 0.014 0.000 1.124 851 N CA 0.358 53.416 53.050 0.014 0.000 0.843 851 N CB 0.719 39.216 38.487 0.017 0.000 1.024 851 N HN 0.028 nan 8.380 nan 0.000 0.501 852 V N 0.123 120.033 119.914 -0.007 0.000 4.112 852 V HA -0.348 3.743 4.120 -0.048 0.000 0.233 852 V C 1.912 178.006 176.094 0.000 0.000 0.458 852 V CA 1.472 63.754 62.300 -0.031 0.000 0.909 852 V CB -2.439 29.400 31.823 0.028 0.000 0.963 852 V HN 0.513 nan 8.190 nan 0.000 1.260 853 R N 1.517 122.019 120.500 0.002 0.000 2.133 853 R HA -0.181 4.131 4.340 -0.048 0.000 0.247 853 R C 2.140 178.454 176.300 0.024 0.000 1.151 853 R CA 2.471 58.581 56.100 0.018 0.000 0.971 853 R CB -0.486 29.820 30.300 0.010 0.000 0.866 853 R HN 0.806 nan 8.270 nan 0.000 0.447 854 A N -0.848 121.966 122.820 -0.010 0.000 1.978 854 A HA -0.208 4.084 4.320 -0.048 0.000 0.220 854 A C 1.876 179.506 177.584 0.078 0.000 1.170 854 A CA 1.867 53.903 52.037 -0.003 0.000 0.636 854 A CB -0.732 18.230 19.000 -0.065 0.000 0.810 854 A HN 0.669 nan 8.150 nan 0.000 0.448 855 H N -1.821 117.256 119.070 0.012 0.000 2.384 855 H HA 0.082 4.609 4.556 -0.048 0.000 0.300 855 H C 1.205 176.538 175.328 0.009 0.000 1.057 855 H CA 0.453 56.507 56.048 0.010 0.000 1.370 855 H CB 0.066 29.834 29.762 0.010 0.000 1.417 855 H HN 0.346 nan 8.280 nan 0.000 0.527 856 L N 1.185 122.495 121.223 0.144 0.000 2.757 856 L HA -0.171 4.140 4.340 -0.048 0.000 0.243 856 L C 0.640 177.544 176.870 0.056 0.000 1.182 856 L CA 1.651 56.537 54.840 0.077 0.000 0.851 856 L CB -0.299 41.793 42.059 0.056 0.000 0.989 856 L HN 0.457 nan 8.230 nan 0.000 0.457 857 E N -2.909 117.330 120.200 0.066 0.000 2.461 857 E HA 0.152 4.473 4.350 -0.048 0.000 0.185 857 E C 0.974 177.603 176.600 0.048 0.000 0.942 857 E CA 0.454 56.882 56.400 0.046 0.000 1.434 857 E CB 0.219 29.942 29.700 0.037 0.000 1.899 857 E HN 0.218 nan 8.360 nan 0.000 0.862 858 G N 2.030 110.874 108.800 0.073 0.000 3.005 858 G HA2 0.318 4.250 3.960 -0.048 0.000 0.342 858 G HA3 0.318 4.250 3.960 -0.048 0.000 0.342 858 G C 0.110 175.047 174.900 0.062 0.000 1.101 858 G CA -0.288 44.854 45.100 0.070 0.000 1.225 858 G HN -0.115 nan 8.290 nan 0.000 0.462 859 K N 1.072 121.488 120.400 0.026 0.000 2.564 859 K HA 0.237 4.528 4.320 -0.048 0.000 0.205 859 K C 0.271 176.870 176.600 -0.001 0.000 1.053 859 K CA 0.059 56.344 56.287 -0.003 0.000 1.072 859 K CB 1.105 33.594 32.500 -0.018 0.000 0.822 859 K HN 0.411 nan 8.250 nan 0.000 0.497 860 E N -0.460 119.746 120.200 0.011 0.000 3.952 860 E HA 0.119 4.441 4.350 -0.048 0.000 0.223 860 E C -0.552 176.057 176.600 0.014 0.000 1.295 860 E CA -0.217 56.188 56.400 0.009 0.000 1.670 860 E CB 0.727 30.432 29.700 0.009 0.000 1.588 860 E HN -0.096 nan 8.360 nan 0.000 0.664 861 V N 0.379 120.305 119.914 0.019 0.000 3.718 861 V HA -0.233 3.859 4.120 -0.048 0.000 0.530 861 V C 0.391 176.494 176.094 0.016 0.000 0.682 861 V CA 0.981 63.294 62.300 0.021 0.000 2.090 861 V CB -0.614 31.225 31.823 0.026 0.000 2.494 861 V HN 0.228 nan 8.190 nan 0.000 0.517 862 V N 1.096 121.020 119.914 0.017 0.000 3.154 862 V HA 0.339 4.430 4.120 -0.048 0.000 0.221 862 V C 0.193 176.296 176.094 0.015 0.000 1.504 862 V CA 1.326 63.635 62.300 0.014 0.000 1.243 862 V CB 1.105 32.935 31.823 0.012 0.000 1.115 862 V HN 0.926 nan 8.190 nan 0.000 0.481 863 K N 0.868 121.279 120.400 0.018 0.000 2.527 863 K HA 0.583 4.874 4.320 -0.048 0.000 0.260 863 K C -1.689 174.927 176.600 0.027 0.000 0.937 863 K CA -0.410 55.889 56.287 0.021 0.000 0.826 863 K CB 2.733 35.244 32.500 0.019 0.000 1.359 863 K HN 0.255 nan 8.250 nan 0.000 0.434 864 E N 3.468 123.688 120.200 0.032 0.000 2.256 864 E HA 0.391 4.713 4.350 -0.048 0.000 0.268 864 E C -0.888 175.749 176.600 0.061 0.000 0.877 864 E CA -0.949 55.478 56.400 0.045 0.000 0.757 864 E CB 1.882 31.609 29.700 0.045 0.000 1.183 864 E HN 0.315 nan 8.360 nan 0.000 0.418 865 I N 2.725 123.338 120.570 0.071 0.000 2.404 865 I HA 0.314 4.455 4.170 -0.048 0.000 0.293 865 I C -0.903 175.296 176.117 0.137 0.000 0.992 865 I CA -0.747 60.603 61.300 0.082 0.000 1.149 865 I CB 0.899 38.925 38.000 0.043 0.000 1.315 865 I HN 0.591 nan 8.210 nan 0.000 0.446 866 Y N 5.785 126.086 120.300 0.001 0.000 2.391 866 Y HA 0.591 5.112 4.550 -0.048 0.000 0.341 866 Y C -0.947 174.953 175.900 0.001 0.000 0.965 866 Y CA -0.757 57.344 58.100 0.000 0.000 1.067 866 Y CB 1.814 40.275 38.460 0.002 0.000 1.199 866 Y HN 0.222 nan 8.280 nan 0.000 0.450 867 V N 9.662 129.249 119.914 -0.546 0.000 2.357 867 V HA 0.241 4.333 4.120 -0.048 0.000 0.281 867 V C -1.859 173.865 176.094 -0.616 0.000 1.015 867 V CA -1.726 60.339 62.300 -0.393 0.000 0.827 867 V CB 1.415 33.110 31.823 -0.213 0.000 1.018 867 V HN 0.756 nan 8.190 nan 0.000 0.432 868 P HA -0.283 nan 4.420 nan 0.000 0.222 868 P C 1.620 178.798 177.300 -0.203 0.000 1.155 868 P CA 2.192 65.143 63.100 -0.248 0.000 0.890 868 P CB 0.228 31.915 31.700 -0.021 0.000 0.790 869 G N -0.425 108.274 108.800 -0.169 0.000 2.941 869 G HA2 -0.230 3.701 3.960 -0.048 0.000 0.206 869 G HA3 -0.230 3.701 3.960 -0.048 0.000 0.206 869 G C 0.602 175.431 174.900 -0.118 0.000 1.403 869 G CA 1.057 46.091 45.100 -0.109 0.000 0.805 869 G HN 0.283 nan 8.290 nan 0.000 0.689 870 K N -0.856 119.464 120.400 -0.133 0.000 3.365 870 K HA 0.466 4.758 4.320 -0.048 0.000 0.187 870 K C -1.480 175.047 176.600 -0.122 0.000 1.062 870 K CA -0.255 55.965 56.287 -0.111 0.000 0.882 870 K CB 0.938 33.398 32.500 -0.066 0.000 0.750 870 K HN 0.206 nan 8.250 nan 0.000 0.479 871 I N 0.984 121.441 120.570 -0.188 0.000 2.828 871 I HA 0.381 4.523 4.170 -0.048 0.000 0.295 871 I C -2.354 173.669 176.117 -0.156 0.000 1.459 871 I CA -0.865 60.352 61.300 -0.139 0.000 1.015 871 I CB 2.234 40.172 38.000 -0.104 0.000 1.345 871 I HN 0.106 nan 8.210 nan 0.000 0.449 872 L N 6.708 127.911 121.223 -0.033 0.000 2.541 872 L HA 0.627 4.939 4.340 -0.048 0.000 0.266 872 L C -1.823 175.079 176.870 0.053 0.000 0.966 872 L CA -0.112 54.771 54.840 0.072 0.000 0.871 872 L CB 1.349 43.522 42.059 0.190 0.000 1.232 872 L HN 0.622 nan 8.230 nan 0.000 0.408 873 N N 4.602 123.332 118.700 0.050 0.000 2.399 873 N HA 0.612 5.323 4.740 -0.048 0.000 0.295 873 N C -1.559 173.978 175.510 0.044 0.000 1.048 873 N CA -0.371 52.700 53.050 0.036 0.000 0.886 873 N CB 1.539 40.038 38.487 0.021 0.000 1.185 873 N HN 0.647 nan 8.380 nan 0.000 0.487 874 L N 3.050 124.295 121.223 0.037 0.000 2.301 874 L HA 0.429 4.741 4.340 -0.048 0.000 0.278 874 L C -0.362 176.525 176.870 0.029 0.000 1.022 874 L CA -1.184 53.678 54.840 0.036 0.000 0.854 874 L CB 1.352 43.434 42.059 0.038 0.000 1.226 874 L HN 0.183 nan 8.230 nan 0.000 0.429 875 V N 4.592 124.522 119.914 0.027 0.000 2.403 875 V HA 0.064 4.155 4.120 -0.048 0.000 0.265 875 V C 0.863 176.969 176.094 0.021 0.000 1.034 875 V CA -0.188 62.125 62.300 0.021 0.000 1.036 875 V CB 0.770 32.604 31.823 0.019 0.000 1.032 875 V HN 0.444 nan 8.190 nan 0.000 0.478 876 V N 0.000 119.926 119.914 0.020 0.000 2.409 876 V HA 0.000 4.091 4.120 -0.048 0.000 0.244 876 V CA 0.000 62.312 62.300 0.019 0.000 1.235 876 V CB 0.000 31.835 31.823 0.021 0.000 1.184 876 V HN 0.000 nan 8.190 nan 0.000 0.556