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 3a8j_1_B DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDDLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AVA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.444 177.584 -0.233 0.000 1.274 1 A CA 0.000 51.921 52.037 -0.194 0.000 0.836 1 A CB 0.000 18.947 19.000 -0.089 0.000 0.831 2 Q N 1.567 121.107 119.800 -0.434 0.000 2.293 2 Q HA 0.231 4.571 4.340 0.000 0.000 0.251 2 Q C 0.220 176.188 176.000 -0.054 0.000 0.930 2 Q CA -0.234 55.320 55.803 -0.416 0.000 0.893 2 Q CB 1.506 29.634 28.738 -1.016 0.000 1.215 2 Q HN 0.871 nan 8.270 nan 0.000 0.425 3 Q N 1.415 121.237 119.800 0.037 0.000 2.297 3 Q HA 0.083 4.424 4.340 0.000 0.000 0.267 3 Q C -0.438 175.816 176.000 0.425 0.000 1.006 3 Q CA 0.045 55.942 55.803 0.157 0.000 0.896 3 Q CB 0.830 29.503 28.738 -0.109 0.000 1.186 3 Q HN 0.493 nan 8.270 nan 0.000 0.392 4 T N 4.336 119.215 114.554 0.541 0.000 2.898 4 T HA 0.153 4.503 4.350 0.000 0.000 0.301 4 T C -1.790 173.110 174.700 0.333 0.000 1.049 4 T CA -1.584 60.832 62.100 0.526 0.000 1.095 4 T CB 0.699 69.865 68.868 0.498 0.000 0.976 4 T HN 0.585 nan 8.240 nan 0.000 0.539 5 P HA 0.093 nan 4.420 nan 0.000 0.222 5 P C 0.854 178.178 177.300 0.040 0.000 1.147 5 P CA 0.798 63.965 63.100 0.111 0.000 0.790 5 P CB 0.126 31.851 31.700 0.042 0.000 0.780 6 L N -2.515 118.680 121.223 -0.048 0.000 2.685 6 L HA 0.094 4.434 4.340 0.000 0.000 0.233 6 L C 1.821 178.516 176.870 -0.291 0.000 1.173 6 L CA -0.218 54.432 54.840 -0.317 0.000 0.961 6 L CB -0.541 41.091 42.059 -0.713 0.000 1.217 6 L HN -0.028 nan 8.230 nan 0.000 0.478 7 Y N 1.269 121.534 120.300 -0.059 0.000 2.069 7 Y HA -0.389 4.161 4.550 0.000 0.000 0.278 7 Y C 2.203 178.104 175.900 0.002 0.000 1.175 7 Y CA 2.338 60.467 58.100 0.048 0.000 1.134 7 Y CB 0.127 38.637 38.460 0.084 0.000 0.965 7 Y HN 0.246 nan 8.280 nan 0.000 0.498 8 E N -0.472 119.749 120.200 0.034 0.000 2.153 8 E HA -0.226 4.124 4.350 0.000 0.000 0.194 8 E C 2.254 178.777 176.600 -0.129 0.000 0.988 8 E CA 1.255 57.625 56.400 -0.050 0.000 0.811 8 E CB -0.104 29.654 29.700 0.097 0.000 0.746 8 E HN 0.505 nan 8.360 nan 0.000 0.466 9 Q N -0.281 119.409 119.800 -0.185 0.000 2.079 9 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 9 Q C 2.043 177.964 176.000 -0.132 0.000 0.974 9 Q CA 1.199 56.895 55.803 -0.178 0.000 0.840 9 Q CB -0.161 28.357 28.738 -0.367 0.000 0.898 9 Q HN 0.509 nan 8.270 nan 0.000 0.430 10 H N -0.065 118.892 119.070 -0.189 0.000 2.389 10 H HA -0.059 4.497 4.556 0.000 0.000 0.299 10 H C 2.291 177.597 175.328 -0.035 0.000 1.081 10 H CA 1.961 57.989 56.048 -0.033 0.000 1.345 10 H CB -0.437 29.233 29.762 -0.152 0.000 1.393 10 H HN 0.421 nan 8.280 nan 0.000 0.520 11 T N -0.585 113.885 114.554 -0.141 0.000 2.737 11 T HA -0.120 4.230 4.350 0.000 0.000 0.265 11 T C 2.258 176.946 174.700 -0.021 0.000 1.038 11 T CA 1.015 63.009 62.100 -0.177 0.000 1.144 11 T CB -0.843 67.789 68.868 -0.393 0.000 0.866 11 T HN 0.222 nan 8.240 nan 0.000 0.434 12 L N 0.539 121.762 121.223 -0.001 0.000 2.051 12 L HA -0.113 4.227 4.340 0.000 0.000 0.214 12 L C 2.181 179.118 176.870 0.113 0.000 1.076 12 L CA 1.697 56.569 54.840 0.054 0.000 0.758 12 L CB -0.523 41.570 42.059 0.057 0.000 0.890 12 L HN 0.429 nan 8.230 nan 0.000 0.433 13 C N 0.618 120.040 119.300 0.204 0.000 2.576 13 C HA 0.345 4.805 4.460 0.000 0.000 0.267 13 C C 1.645 176.839 174.990 0.340 0.000 1.364 13 C CA 0.350 59.526 59.018 0.264 0.000 1.723 13 C CB -1.413 26.532 27.740 0.342 0.000 1.778 13 C HN 0.890 nan 8.230 nan 0.000 0.572 14 G N 0.359 109.308 108.800 0.248 0.000 2.131 14 G HA2 -0.005 3.955 3.960 0.000 0.000 0.223 14 G HA3 -0.005 3.955 3.960 0.000 0.000 0.223 14 G C 0.130 175.095 174.900 0.107 0.000 0.990 14 G CA 0.071 45.284 45.100 0.188 0.000 0.671 14 G HN 0.894 nan 8.290 nan 0.000 0.521 15 A N -0.234 122.576 122.820 -0.016 0.000 2.511 15 A HA 0.645 4.965 4.320 0.000 0.000 0.242 15 A C 0.697 178.094 177.584 -0.312 0.000 1.069 15 A CA 0.481 52.245 52.037 -0.455 0.000 0.763 15 A CB 0.223 18.905 19.000 -0.531 0.000 1.001 15 A HN 0.481 nan 8.150 nan 0.000 0.498 16 R N 2.204 122.446 120.500 -0.430 0.000 2.207 16 R HA 0.390 4.730 4.340 0.000 0.000 0.334 16 R C -0.227 175.885 176.300 -0.314 0.000 1.013 16 R CA -0.197 55.690 56.100 -0.354 0.000 0.858 16 R CB 0.729 30.701 30.300 -0.547 0.000 1.094 16 R HN 0.689 nan 8.270 nan 0.000 0.457 17 M N 3.329 122.828 119.600 -0.169 0.000 2.216 17 M HA 0.343 4.823 4.480 0.000 0.000 0.356 17 M C -0.006 176.265 176.300 -0.048 0.000 1.205 17 M CA -0.640 54.604 55.300 -0.093 0.000 1.122 17 M CB 1.215 33.822 32.600 0.012 0.000 1.571 17 M HN 0.430 nan 8.290 nan 0.000 0.464 18 V N -0.698 119.208 119.914 -0.014 0.000 3.141 18 V HA 0.607 4.727 4.120 0.000 0.000 0.312 18 V C -0.711 175.441 176.094 0.097 0.000 1.157 18 V CA -1.087 61.233 62.300 0.033 0.000 1.041 18 V CB 2.215 34.058 31.823 0.033 0.000 1.071 18 V HN 0.741 nan 8.190 nan 0.000 0.441 19 D N 1.522 121.977 120.400 0.091 0.000 2.336 19 D HA 0.294 4.934 4.640 0.000 0.000 0.249 19 D C -1.316 175.083 176.300 0.165 0.000 1.213 19 D CA 0.016 54.075 54.000 0.098 0.000 0.870 19 D CB 0.666 41.481 40.800 0.025 0.000 1.076 19 D HN 0.568 nan 8.370 nan 0.000 0.483 20 F N 5.348 125.334 119.950 0.061 0.000 2.382 20 F HA 0.227 4.755 4.527 0.000 0.000 0.361 20 F C 0.188 176.091 175.800 0.171 0.000 1.109 20 F CA -0.633 57.415 58.000 0.080 0.000 1.031 20 F CB 0.333 39.435 39.000 0.172 0.000 1.234 20 F HN 0.394 nan 8.300 nan 0.000 0.445 21 H N 4.386 123.282 119.070 -0.290 0.000 2.415 21 H HA -0.207 4.349 4.556 0.000 0.000 0.323 21 H C 1.425 176.712 175.328 -0.068 0.000 1.035 21 H CA 1.158 57.083 56.048 -0.205 0.000 1.098 21 H CB -1.122 28.455 29.762 -0.308 0.000 1.575 21 H HN 1.159 nan 8.280 nan 0.000 0.387 22 G N -1.364 107.410 108.800 -0.043 0.000 2.176 22 G HA2 -0.279 3.681 3.960 0.000 0.000 0.253 22 G HA3 -0.279 3.681 3.960 0.000 0.000 0.253 22 G C -0.131 174.554 174.900 -0.358 0.000 0.979 22 G CA 0.277 45.253 45.100 -0.205 0.000 0.641 22 G HN 0.500 nan 8.290 nan 0.000 0.530 23 W N 0.076 121.370 121.300 -0.010 0.000 2.656 23 W HA 0.770 5.431 4.660 0.001 0.000 0.327 23 W C 0.190 176.749 176.519 0.067 0.000 1.041 23 W CA -1.378 55.943 57.345 -0.039 0.000 1.229 23 W CB 1.193 30.528 29.460 -0.208 0.000 1.397 23 W HN -0.105 nan 8.180 nan 0.000 0.479 24 M N 5.024 124.801 119.600 0.296 0.000 2.350 24 M HA 0.188 4.668 4.480 0.000 0.000 0.338 24 M C -0.523 175.930 176.300 0.256 0.000 1.559 24 M CA 0.263 55.704 55.300 0.235 0.000 1.217 24 M CB -0.557 32.165 32.600 0.204 0.000 1.808 24 M HN 0.232 nan 8.290 nan 0.000 0.458 25 M N 5.308 125.012 119.600 0.173 0.000 2.530 25 M HA 0.524 5.004 4.480 0.000 0.000 0.307 25 M C -2.314 173.926 176.300 -0.102 0.000 1.161 25 M CA -3.086 52.252 55.300 0.062 0.000 0.903 25 M CB 1.756 34.430 32.600 0.124 0.000 1.711 25 M HN 0.121 nan 8.290 nan 0.000 0.451 26 P HA 0.071 nan 4.420 nan 0.000 0.266 26 P C 0.755 177.893 177.300 -0.269 0.000 1.215 26 P CA -0.130 62.714 63.100 -0.427 0.000 0.763 26 P CB 0.374 31.612 31.700 -0.771 0.000 0.806 27 L N 5.336 126.402 121.223 -0.261 0.000 2.072 27 L HA -0.001 4.339 4.340 0.000 0.000 0.205 27 L C 0.729 177.565 176.870 -0.055 0.000 1.079 27 L CA 1.937 56.689 54.840 -0.148 0.000 0.752 27 L CB -0.603 41.368 42.059 -0.145 0.000 0.906 27 L HN 0.617 nan 8.230 nan 0.000 0.436 28 H N -5.850 113.137 119.070 -0.138 0.000 2.902 28 H HA 0.353 4.909 4.556 0.000 0.000 0.297 28 H C -1.391 173.803 175.328 -0.223 0.000 1.406 28 H CA -1.021 54.998 56.048 -0.048 0.000 1.134 28 H CB -0.124 29.664 29.762 0.042 0.000 1.833 28 H HN -0.098 nan 8.280 nan 0.000 0.527 29 Y N 0.115 120.605 120.300 0.317 0.000 2.716 29 Y HA 0.556 5.106 4.550 0.000 0.000 0.260 29 Y C 1.340 177.387 175.900 0.245 0.000 1.141 29 Y CA 0.327 58.554 58.100 0.211 0.000 1.168 29 Y CB 1.233 39.772 38.460 0.131 0.000 1.189 29 Y HN 1.131 nan 8.280 nan 0.000 0.549 30 G N -0.597 108.511 108.800 0.514 0.000 3.709 30 G HA2 -0.100 3.860 3.960 0.000 0.000 0.196 30 G HA3 -0.100 3.860 3.960 0.000 0.000 0.196 30 G C -0.141 174.675 174.900 -0.140 0.000 1.177 30 G CA 0.079 45.278 45.100 0.164 0.000 0.906 30 G HN 0.229 nan 8.290 nan 0.000 0.416 31 S N 0.611 116.233 115.700 -0.130 0.000 2.614 31 S HA 0.447 4.917 4.470 0.000 0.000 0.259 31 S C 0.886 175.445 174.600 -0.069 0.000 1.118 31 S CA 0.750 58.840 58.200 -0.184 0.000 1.065 31 S CB 1.170 64.328 63.200 -0.071 0.000 1.121 31 S HN 0.814 nan 8.310 nan 0.000 0.458 32 Q N 4.585 124.326 119.800 -0.098 0.000 2.291 32 Q HA -0.027 4.314 4.340 0.000 0.000 0.205 32 Q C 1.273 177.335 176.000 0.103 0.000 0.970 32 Q CA 1.092 56.943 55.803 0.080 0.000 0.876 32 Q CB -0.196 28.611 28.738 0.115 0.000 0.935 32 Q HN 0.714 nan 8.270 nan 0.000 0.455 33 I N 1.756 122.349 120.570 0.038 0.000 2.202 33 I HA -0.212 3.958 4.170 0.000 0.000 0.242 33 I C 1.861 178.049 176.117 0.119 0.000 1.091 33 I CA 1.646 62.982 61.300 0.059 0.000 1.368 33 I CB -0.981 37.016 38.000 -0.006 0.000 1.058 33 I HN 0.324 nan 8.210 nan 0.000 0.410 34 D N 0.887 121.332 120.400 0.074 0.000 2.178 34 D HA -0.176 4.465 4.640 0.000 0.000 0.202 34 D C 2.085 178.473 176.300 0.146 0.000 0.974 34 D CA 1.118 55.177 54.000 0.098 0.000 0.841 34 D CB 0.162 40.988 40.800 0.044 0.000 0.953 34 D HN 0.351 nan 8.370 nan 0.000 0.478 35 E N -1.357 118.924 120.200 0.135 0.000 2.106 35 E HA -0.174 4.176 4.350 0.000 0.000 0.192 35 E C 1.820 178.518 176.600 0.163 0.000 0.984 35 E CA 0.834 57.303 56.400 0.116 0.000 0.806 35 E CB -0.128 29.652 29.700 0.134 0.000 0.750 35 E HN 0.507 nan 8.360 nan 0.000 0.458 36 H N 0.189 119.333 119.070 0.124 0.000 2.293 36 H HA -0.166 4.390 4.556 0.000 0.000 0.300 36 H C 2.303 177.694 175.328 0.104 0.000 1.082 36 H CA 1.998 58.122 56.048 0.128 0.000 1.308 36 H CB -0.015 29.816 29.762 0.116 0.000 1.375 36 H HN 0.186 nan 8.280 nan 0.000 0.495 37 H N 0.127 119.337 119.070 0.234 0.000 2.353 37 H HA -0.174 4.382 4.556 0.000 0.000 0.298 37 H C 2.149 177.498 175.328 0.035 0.000 1.103 37 H CA 1.524 57.647 56.048 0.124 0.000 1.293 37 H CB -0.260 29.554 29.762 0.087 0.000 1.372 37 H HN 0.566 nan 8.280 nan 0.000 0.501 38 A N 0.387 123.230 122.820 0.037 0.000 1.908 38 A HA -0.114 4.206 4.320 0.000 0.000 0.218 38 A C 2.851 180.365 177.584 -0.116 0.000 1.181 38 A CA 1.692 53.692 52.037 -0.063 0.000 0.627 38 A CB -0.847 18.133 19.000 -0.033 0.000 0.818 38 A HN 0.324 nan 8.150 nan 0.000 0.445 39 V N -0.202 119.661 119.914 -0.085 0.000 2.453 39 V HA -0.140 3.980 4.120 0.000 0.000 0.247 39 V C 2.605 178.624 176.094 -0.126 0.000 1.048 39 V CA 1.589 63.845 62.300 -0.074 0.000 1.049 39 V CB -0.689 31.137 31.823 0.005 0.000 0.672 39 V HN 0.438 nan 8.190 nan 0.000 0.457 40 R N 0.583 120.977 120.500 -0.177 0.000 2.148 40 R HA -0.066 4.274 4.340 0.000 0.000 0.227 40 R C 2.100 178.290 176.300 -0.183 0.000 1.103 40 R CA 1.775 57.773 56.100 -0.170 0.000 0.983 40 R CB -0.527 29.694 30.300 -0.133 0.000 0.874 40 R HN 0.727 nan 8.270 nan 0.000 0.451 41 T N -4.132 110.267 114.554 -0.258 0.000 2.975 41 T HA 0.133 4.483 4.350 0.000 0.000 0.261 41 T C 0.556 175.153 174.700 -0.171 0.000 0.984 41 T CA -0.033 61.920 62.100 -0.245 0.000 0.911 41 T CB 0.628 69.242 68.868 -0.423 0.000 1.127 41 T HN 0.002 nan 8.240 nan 0.000 0.514 42 D N 1.399 121.706 120.400 -0.155 0.000 2.425 42 D HA 0.601 5.241 4.640 0.000 0.000 0.104 42 D C -1.249 174.982 176.300 -0.114 0.000 1.395 42 D CA 0.581 54.509 54.000 -0.120 0.000 1.447 42 D CB 0.819 41.554 40.800 -0.109 0.000 2.239 42 D HN 0.428 nan 8.370 nan 0.000 0.193 43 A N -0.174 122.576 122.820 -0.117 0.000 2.488 43 A HA 0.713 5.033 4.320 0.000 0.000 0.295 43 A C -0.347 177.152 177.584 -0.141 0.000 1.045 43 A CA 0.008 51.974 52.037 -0.119 0.000 0.703 43 A CB 1.646 20.568 19.000 -0.130 0.000 1.271 43 A HN 0.489 nan 8.150 nan 0.000 0.400 44 G N 0.772 109.493 108.800 -0.132 0.000 2.605 44 G HA2 0.795 4.755 3.960 0.000 0.000 0.296 44 G HA3 0.795 4.755 3.960 0.000 0.000 0.296 44 G C -0.576 174.166 174.900 -0.263 0.000 1.304 44 G CA -0.413 44.547 45.100 -0.232 0.000 0.941 44 G HN 1.461 nan 8.290 nan 0.000 0.475 45 M N -0.688 118.628 119.600 -0.472 0.000 2.593 45 M HA 0.868 5.348 4.480 0.000 0.000 0.290 45 M C -2.010 174.033 176.300 -0.429 0.000 1.244 45 M CA -0.856 54.254 55.300 -0.317 0.000 0.857 45 M CB 2.612 35.024 32.600 -0.313 0.000 1.738 45 M HN 0.290 nan 8.290 nan 0.000 0.461 46 F N -0.081 120.040 119.950 0.285 0.000 2.569 46 F HA 0.366 4.893 4.527 -0.000 0.000 0.312 46 F C -0.564 175.501 175.800 0.441 0.000 1.109 46 F CA -0.678 57.540 58.000 0.363 0.000 0.919 46 F CB 1.566 40.701 39.000 0.224 0.000 1.211 46 F HN 0.628 nan 8.300 nan 0.000 0.446 47 D N 2.492 123.228 120.400 0.560 0.000 2.344 47 D HA 0.222 4.862 4.640 0.000 0.000 0.253 47 D C 0.376 176.801 176.300 0.209 0.000 1.255 47 D CA 0.185 54.382 54.000 0.329 0.000 0.894 47 D CB 1.111 42.018 40.800 0.177 0.000 1.067 47 D HN 0.373 nan 8.370 nan 0.000 0.492 48 V N 1.350 121.364 119.914 0.168 0.000 3.043 48 V HA 0.201 4.321 4.120 0.000 0.000 0.357 48 V C 1.381 177.453 176.094 -0.038 0.000 1.372 48 V CA -0.373 61.982 62.300 0.091 0.000 1.214 48 V CB 0.012 31.907 31.823 0.120 0.000 1.224 48 V HN 0.286 nan 8.190 nan 0.000 0.507 49 S N 0.826 116.410 115.700 -0.193 0.000 2.474 49 S HA -0.069 4.401 4.470 0.000 0.000 0.235 49 S C 1.448 175.697 174.600 -0.585 0.000 0.997 49 S CA 1.202 59.176 58.200 -0.376 0.000 0.949 49 S CB -0.494 62.386 63.200 -0.532 0.000 0.766 49 S HN 0.850 nan 8.310 nan 0.000 0.517 50 H N 0.219 119.186 119.070 -0.172 0.000 2.533 50 H HA 0.264 4.820 4.556 0.000 0.000 0.271 50 H C 0.440 175.742 175.328 -0.042 0.000 1.000 50 H CA 0.111 56.031 56.048 -0.214 0.000 1.149 50 H CB -0.170 29.350 29.762 -0.403 0.000 1.375 50 H HN 0.335 nan 8.280 nan 0.000 0.582 51 M N 1.034 120.655 119.600 0.036 0.000 2.245 51 M HA 0.073 4.553 4.480 0.000 0.000 0.330 51 M C 0.531 176.856 176.300 0.042 0.000 1.098 51 M CA 0.506 55.837 55.300 0.051 0.000 1.172 51 M CB 0.318 32.945 32.600 0.045 0.000 1.467 51 M HN -0.108 nan 8.290 nan 0.000 0.454 52 T N 3.290 117.875 114.554 0.052 0.000 2.779 52 T HA 0.651 5.001 4.350 0.000 0.000 0.280 52 T C 0.000 174.731 174.700 0.051 0.000 0.987 52 T CA -0.479 61.653 62.100 0.052 0.000 0.966 52 T CB 0.937 69.845 68.868 0.067 0.000 0.933 52 T HN 0.411 nan 8.240 nan 0.000 0.442 53 I N 3.155 123.748 120.570 0.038 0.000 2.336 53 I HA 0.422 4.592 4.170 0.000 0.000 0.292 53 I C -0.473 175.673 176.117 0.048 0.000 0.991 53 I CA -0.761 60.558 61.300 0.033 0.000 1.227 53 I CB 1.419 39.408 38.000 -0.019 0.000 1.366 53 I HN 0.254 nan 8.210 nan 0.000 0.466 54 V N 5.423 125.384 119.914 0.078 0.000 2.378 54 V HA 0.321 4.441 4.120 0.000 0.000 0.288 54 V C -0.595 175.589 176.094 0.149 0.000 1.016 54 V CA -0.770 61.592 62.300 0.103 0.000 0.840 54 V CB 1.581 33.473 31.823 0.114 0.000 0.994 54 V HN 0.564 nan 8.190 nan 0.000 0.431 55 D N 4.632 125.131 120.400 0.165 0.000 2.210 55 D HA 0.617 5.257 4.640 0.000 0.000 0.249 55 D C -0.468 175.989 176.300 0.262 0.000 1.078 55 D CA -0.009 54.165 54.000 0.291 0.000 0.875 55 D CB 2.042 43.010 40.800 0.279 0.000 1.175 55 D HN 0.334 nan 8.370 nan 0.000 0.440 56 L N 2.499 123.946 121.223 0.373 0.000 2.376 56 L HA 0.526 4.866 4.340 0.000 0.000 0.275 56 L C 0.137 177.227 176.870 0.367 0.000 0.987 56 L CA -0.668 54.352 54.840 0.299 0.000 0.828 56 L CB 1.756 43.992 42.059 0.296 0.000 1.249 56 L HN 0.053 nan 8.230 nan 0.000 0.409 57 R N 1.856 122.485 120.500 0.216 0.000 2.686 57 R HA 0.881 5.221 4.340 0.000 0.000 0.283 57 R C -0.454 175.928 176.300 0.137 0.000 0.978 57 R CA -0.828 55.383 56.100 0.185 0.000 0.897 57 R CB 2.545 32.857 30.300 0.020 0.000 1.192 57 R HN 0.830 nan 8.270 nan 0.000 0.457 58 G N -0.227 108.668 108.800 0.159 0.000 2.333 58 G HA2 -0.114 3.846 3.960 0.000 0.000 0.330 58 G HA3 -0.114 3.846 3.960 0.000 0.000 0.330 58 G C 0.172 175.163 174.900 0.150 0.000 1.465 58 G CA -0.260 44.911 45.100 0.119 0.000 0.996 58 G HN 0.518 nan 8.290 nan 0.000 0.655 59 S N -0.660 115.114 115.700 0.124 0.000 2.481 59 S HA -0.025 4.445 4.470 0.000 0.000 0.231 59 S C 1.625 176.311 174.600 0.143 0.000 0.996 59 S CA 1.160 59.441 58.200 0.136 0.000 0.942 59 S CB -0.012 63.251 63.200 0.105 0.000 0.768 59 S HN 0.640 nan 8.310 nan 0.000 0.520 60 R N 0.914 121.501 120.500 0.145 0.000 2.388 60 R HA 0.217 4.557 4.340 0.000 0.000 0.247 60 R C 1.234 177.599 176.300 0.108 0.000 0.931 60 R CA 0.451 56.650 56.100 0.164 0.000 1.082 60 R CB -0.347 30.107 30.300 0.257 0.000 1.135 60 R HN 0.382 nan 8.270 nan 0.000 0.525 61 T N 1.132 115.751 114.554 0.109 0.000 2.684 61 T HA -0.217 4.133 4.350 0.000 0.000 0.267 61 T C 1.785 176.339 174.700 -0.243 0.000 1.036 61 T CA 1.354 63.476 62.100 0.036 0.000 1.148 61 T CB -0.075 68.896 68.868 0.173 0.000 0.863 61 T HN 0.331 nan 8.240 nan 0.000 0.436 62 R N 0.919 121.281 120.500 -0.230 0.000 2.075 62 R HA -0.069 4.271 4.340 0.000 0.000 0.232 62 R C 2.470 178.601 176.300 -0.282 0.000 1.126 62 R CA 1.548 57.399 56.100 -0.414 0.000 0.963 62 R CB -0.204 30.073 30.300 -0.038 0.000 0.858 62 R HN 0.517 nan 8.270 nan 0.000 0.435 63 E N -0.199 119.920 120.200 -0.135 0.000 2.070 63 E HA -0.263 4.087 4.350 0.000 0.000 0.197 63 E C 1.736 178.139 176.600 -0.329 0.000 1.004 63 E CA 1.675 58.006 56.400 -0.115 0.000 0.805 63 E CB -0.302 29.423 29.700 0.042 0.000 0.744 63 E HN 0.371 nan 8.360 nan 0.000 0.451 64 F N 1.304 120.814 119.950 -0.734 0.000 2.095 64 F HA -0.184 4.343 4.527 0.000 0.000 0.298 64 F C 1.913 177.388 175.800 -0.541 0.000 1.104 64 F CA 1.495 58.817 58.000 -1.130 0.000 1.232 64 F CB -0.354 38.080 39.000 -0.943 0.000 0.987 64 F HN 0.017 nan 8.300 nan 0.000 0.475 65 L N -0.183 120.572 121.223 -0.780 0.000 2.217 65 L HA -0.076 4.264 4.340 0.000 0.000 0.211 65 L C 2.546 179.089 176.870 -0.545 0.000 1.107 65 L CA 0.808 55.175 54.840 -0.789 0.000 0.783 65 L CB -0.511 41.138 42.059 -0.683 0.000 0.919 65 L HN 0.046 nan 8.230 nan 0.000 0.442 66 R N -1.314 118.953 120.500 -0.389 0.000 2.189 66 R HA -0.159 4.181 4.340 0.000 0.000 0.218 66 R C 2.026 178.263 176.300 -0.105 0.000 1.074 66 R CA 1.052 57.017 56.100 -0.225 0.000 0.991 66 R CB -0.123 30.097 30.300 -0.133 0.000 0.883 66 R HN 0.300 nan 8.270 nan 0.000 0.457 67 Y N 0.583 120.722 120.300 -0.268 0.000 2.347 67 Y HA -0.035 4.515 4.550 -0.000 0.000 0.294 67 Y C 1.885 177.677 175.900 -0.180 0.000 1.117 67 Y CA 0.565 58.585 58.100 -0.134 0.000 1.184 67 Y CB -0.066 38.355 38.460 -0.065 0.000 1.047 67 Y HN -0.085 nan 8.280 nan 0.000 0.546 68 L N 0.140 121.042 121.223 -0.535 0.000 2.056 68 L HA 0.058 4.398 4.340 0.000 0.000 0.207 68 L C 0.172 176.791 176.870 -0.418 0.000 1.078 68 L CA 1.403 55.892 54.840 -0.585 0.000 0.749 68 L CB -0.301 41.217 42.059 -0.901 0.000 0.901 68 L HN 0.100 nan 8.230 nan 0.000 0.433 69 L N -2.156 118.800 121.223 -0.446 0.000 2.313 69 L HA 0.491 4.831 4.340 0.000 0.000 0.268 69 L C 1.079 177.540 176.870 -0.683 0.000 1.010 69 L CA -0.074 54.485 54.840 -0.468 0.000 0.814 69 L CB 1.396 43.184 42.059 -0.452 0.000 1.304 69 L HN -0.105 nan 8.230 nan 0.000 0.441 70 A N 0.464 122.797 122.820 -0.811 0.000 2.044 70 A HA 0.049 4.369 4.320 0.000 0.000 0.213 70 A C 0.941 177.821 177.584 -1.173 0.000 1.169 70 A CA 0.350 51.530 52.037 -1.428 0.000 0.724 70 A CB -0.211 18.243 19.000 -0.910 0.000 0.840 70 A HN 0.731 nan 8.150 nan 0.000 0.463 71 N N 0.690 118.932 118.700 -0.765 0.000 2.347 71 N HA 0.186 4.926 4.740 0.000 0.000 0.253 71 N C -1.422 173.783 175.510 -0.508 0.000 1.274 71 N CA -0.116 52.583 53.050 -0.584 0.000 0.941 71 N CB 0.663 38.858 38.487 -0.487 0.000 1.200 71 N HN 0.137 nan 8.380 nan 0.000 0.514 72 D N 0.395 120.579 120.400 -0.359 0.000 2.471 72 D HA 0.150 4.790 4.640 0.000 0.000 0.245 72 D C 0.885 177.060 176.300 -0.209 0.000 1.116 72 D CA -0.589 53.248 54.000 -0.272 0.000 0.853 72 D CB 0.902 41.584 40.800 -0.198 0.000 1.123 72 D HN 0.266 nan 8.370 nan 0.000 0.540 73 V N 2.356 122.147 119.914 -0.205 0.000 3.305 73 V HA 0.048 4.168 4.120 0.000 0.000 0.269 73 V C 1.982 178.016 176.094 -0.100 0.000 1.157 73 V CA 1.317 63.539 62.300 -0.129 0.000 1.157 73 V CB -0.873 30.891 31.823 -0.099 0.000 0.772 73 V HN 0.483 nan 8.190 nan 0.000 0.498 74 A N 0.847 123.597 122.820 -0.116 0.000 2.024 74 A HA -0.185 4.135 4.320 0.000 0.000 0.220 74 A C 2.226 179.740 177.584 -0.117 0.000 1.164 74 A CA 1.971 53.947 52.037 -0.102 0.000 0.643 74 A CB -0.577 18.379 19.000 -0.074 0.000 0.806 74 A HN 0.621 nan 8.150 nan 0.000 0.451 75 K N -0.531 119.800 120.400 -0.115 0.000 2.442 75 K HA 0.047 4.367 4.320 0.000 0.000 0.198 75 K C -0.279 176.243 176.600 -0.129 0.000 1.042 75 K CA 0.298 56.522 56.287 -0.106 0.000 0.958 75 K CB -0.267 32.173 32.500 -0.101 0.000 0.766 75 K HN 0.453 nan 8.250 nan 0.000 0.474 76 L N 2.063 123.178 121.223 -0.181 0.000 2.328 76 L HA 0.096 4.436 4.340 0.000 0.000 0.280 76 L C 0.964 177.588 176.870 -0.411 0.000 1.111 76 L CA -0.258 54.441 54.840 -0.235 0.000 0.909 76 L CB 0.485 42.434 42.059 -0.184 0.000 1.277 76 L HN 0.127 nan 8.230 nan 0.000 0.433 77 T N -2.305 112.131 114.554 -0.196 0.000 3.010 77 T HA 0.196 4.546 4.350 0.000 0.000 0.257 77 T C 0.555 175.292 174.700 0.062 0.000 1.020 77 T CA -0.278 61.732 62.100 -0.149 0.000 0.938 77 T CB 0.342 69.175 68.868 -0.058 0.000 1.049 77 T HN 0.158 nan 8.240 nan 0.000 0.522 78 K N 1.646 122.153 120.400 0.179 0.000 2.270 78 K HA 0.620 4.940 4.320 0.000 0.000 0.255 78 K C -0.255 176.607 176.600 0.437 0.000 0.936 78 K CA -0.361 56.118 56.287 0.320 0.000 0.809 78 K CB 1.927 34.658 32.500 0.385 0.000 1.131 78 K HN 0.047 nan 8.250 nan 0.000 0.427 79 S N 1.378 117.284 115.700 0.343 0.000 2.563 79 S HA 0.245 4.715 4.470 0.000 0.000 0.294 79 S C 1.209 175.966 174.600 0.263 0.000 1.279 79 S CA 1.671 59.947 58.200 0.127 0.000 1.069 79 S CB -0.283 62.951 63.200 0.056 0.000 0.828 79 S HN 0.842 nan 8.310 nan 0.000 0.497 80 G N 3.427 112.327 108.800 0.167 0.000 2.212 80 G HA2 -0.292 3.668 3.960 0.000 0.000 0.266 80 G HA3 -0.292 3.668 3.960 0.000 0.000 0.266 80 G C 0.153 175.106 174.900 0.088 0.000 0.978 80 G CA 0.685 45.966 45.100 0.302 0.000 0.632 80 G HN 0.800 nan 8.290 nan 0.000 0.537 81 K N 0.926 121.191 120.400 -0.225 0.000 2.382 81 K HA 0.580 4.900 4.320 0.000 0.000 0.275 81 K C 0.520 176.900 176.600 -0.366 0.000 1.009 81 K CA 0.403 56.189 56.287 -0.835 0.000 0.970 81 K CB 0.362 32.471 32.500 -0.652 0.000 0.934 81 K HN 0.724 nan 8.250 nan 0.000 0.479 82 A N 3.299 125.913 122.820 -0.343 0.000 2.430 82 A HA 0.727 5.047 4.320 0.000 0.000 0.300 82 A C -1.496 176.031 177.584 -0.094 0.000 1.124 82 A CA -0.914 50.961 52.037 -0.270 0.000 0.766 82 A CB 0.942 19.605 19.000 -0.563 0.000 1.328 82 A HN 0.607 nan 8.150 nan 0.000 0.424 83 L N -2.214 118.950 121.223 -0.098 0.000 2.403 83 L HA 0.805 5.145 4.340 0.000 0.000 0.253 83 L C -0.866 175.994 176.870 -0.017 0.000 1.045 83 L CA -0.935 53.849 54.840 -0.092 0.000 0.845 83 L CB 1.014 42.976 42.059 -0.161 0.000 1.447 83 L HN 0.720 nan 8.230 nan 0.000 0.411 84 Y N 0.188 120.352 120.300 -0.227 0.000 2.342 84 Y HA 0.806 5.356 4.550 0.000 0.000 0.334 84 Y C -0.267 175.453 175.900 -0.300 0.000 1.067 84 Y CA -0.187 57.812 58.100 -0.169 0.000 1.128 84 Y CB 1.705 40.080 38.460 -0.142 0.000 1.200 84 Y HN 0.965 nan 8.280 nan 0.000 0.464 85 S N 3.458 118.679 115.700 -0.799 0.000 2.537 85 S HA 0.691 5.161 4.470 0.000 0.000 0.270 85 S C -0.629 173.502 174.600 -0.781 0.000 1.142 85 S CA -0.259 57.484 58.200 -0.761 0.000 0.870 85 S CB 0.855 63.749 63.200 -0.510 0.000 1.112 85 S HN 1.244 nan 8.310 nan 0.000 0.466 86 G N 2.022 110.415 108.800 -0.678 0.000 2.539 86 G HA2 0.532 4.492 3.960 0.000 0.000 0.258 86 G HA3 0.532 4.492 3.960 0.000 0.000 0.258 86 G C -0.602 174.061 174.900 -0.394 0.000 1.202 86 G CA -0.429 44.386 45.100 -0.475 0.000 0.851 86 G HN 0.741 nan 8.290 nan 0.000 0.556 87 M N 2.069 121.483 119.600 -0.310 0.000 2.142 87 M HA 0.520 5.000 4.480 0.000 0.000 0.299 87 M C -1.367 174.775 176.300 -0.264 0.000 0.960 87 M CA -0.594 54.544 55.300 -0.270 0.000 0.920 87 M CB 1.067 33.527 32.600 -0.232 0.000 1.541 87 M HN 0.303 nan 8.290 nan 0.000 0.429 88 L N 3.505 124.605 121.223 -0.204 0.000 2.334 88 L HA 0.584 4.925 4.340 0.000 0.000 0.272 88 L C -0.006 176.750 176.870 -0.190 0.000 1.020 88 L CA -1.219 53.518 54.840 -0.172 0.000 0.812 88 L CB 1.584 43.599 42.059 -0.074 0.000 1.264 88 L HN 0.740 nan 8.230 nan 0.000 0.439 89 N N 0.872 119.440 118.700 -0.220 0.000 2.364 89 N HA 0.209 4.949 4.740 0.000 0.000 0.264 89 N C 0.690 176.214 175.510 0.023 0.000 1.263 89 N CA -0.035 52.921 53.050 -0.157 0.000 0.959 89 N CB 0.564 38.915 38.487 -0.226 0.000 1.204 89 N HN 0.661 nan 8.380 nan 0.000 0.550 90 A N -0.447 122.444 122.820 0.119 0.000 2.024 90 A HA -0.130 4.190 4.320 0.000 0.000 0.220 90 A C 1.632 179.249 177.584 0.055 0.000 1.164 90 A CA 1.751 53.852 52.037 0.106 0.000 0.643 90 A CB -1.179 17.910 19.000 0.148 0.000 0.806 90 A HN 0.806 nan 8.150 nan 0.000 0.451 91 S N -2.118 113.607 115.700 0.040 0.000 2.634 91 S HA 0.427 4.897 4.470 0.000 0.000 0.221 91 S C 1.198 175.811 174.600 0.023 0.000 0.952 91 S CA 0.765 58.984 58.200 0.032 0.000 0.930 91 S CB -0.239 62.982 63.200 0.035 0.000 0.780 91 S HN 1.842 nan 8.310 nan 0.000 0.498 92 G N 0.178 108.984 108.800 0.010 0.000 2.143 92 G HA2 -0.112 3.848 3.960 0.000 0.000 0.249 92 G HA3 -0.112 3.848 3.960 0.000 0.000 0.249 92 G C 0.356 175.255 174.900 -0.002 0.000 0.981 92 G CA -0.297 44.810 45.100 0.012 0.000 0.665 92 G HN 1.055 nan 8.290 nan 0.000 0.528 93 G N -1.165 107.623 108.800 -0.020 0.000 2.477 93 G HA2 0.635 4.595 3.960 0.000 0.000 0.304 93 G HA3 0.635 4.595 3.960 0.000 0.000 0.304 93 G C -0.001 174.869 174.900 -0.049 0.000 1.175 93 G CA -0.057 45.029 45.100 -0.023 0.000 0.907 93 G HN 0.904 nan 8.290 nan 0.000 0.509 94 V N 1.837 121.745 119.914 -0.009 0.000 2.385 94 V HA 0.139 4.259 4.120 0.000 0.000 0.269 94 V C 1.162 177.299 176.094 0.071 0.000 1.043 94 V CA -0.172 62.137 62.300 0.015 0.000 0.906 94 V CB 0.937 32.816 31.823 0.093 0.000 0.995 94 V HN 0.682 nan 8.190 nan 0.000 0.467 95 I N 2.080 122.547 120.570 -0.171 0.000 2.333 95 I HA 0.074 4.244 4.170 0.000 0.000 0.246 95 I C 0.716 176.510 176.117 -0.539 0.000 1.106 95 I CA 1.271 62.369 61.300 -0.337 0.000 1.411 95 I CB 0.230 37.845 38.000 -0.640 0.000 1.082 95 I HN 0.633 nan 8.210 nan 0.000 0.420 96 D N -0.675 119.454 120.400 -0.452 0.000 2.653 96 D HA 0.156 4.797 4.640 0.000 0.000 0.258 96 D C -1.901 174.239 176.300 -0.265 0.000 1.252 96 D CA -0.536 53.123 54.000 -0.568 0.000 0.777 96 D CB 1.623 42.121 40.800 -0.504 0.000 1.339 96 D HN 0.007 nan 8.370 nan 0.000 0.422 97 D N 0.381 120.687 120.400 -0.156 0.000 2.326 97 D HA 0.680 5.320 4.640 0.000 0.000 0.251 97 D C -0.218 176.004 176.300 -0.131 0.000 1.023 97 D CA -0.473 53.413 54.000 -0.189 0.000 0.966 97 D CB 1.504 42.247 40.800 -0.094 0.000 1.156 97 D HN 0.384 nan 8.370 nan 0.000 0.494 98 L N -3.051 118.069 121.223 -0.173 0.000 2.892 98 L HA 0.596 4.936 4.340 0.000 0.000 0.269 98 L C -1.677 175.196 176.870 0.005 0.000 1.058 98 L CA -1.088 53.720 54.840 -0.053 0.000 0.923 98 L CB 0.964 42.971 42.059 -0.087 0.000 1.518 98 L HN 0.294 nan 8.230 nan 0.000 0.402 99 I N 1.560 122.162 120.570 0.053 0.000 2.493 99 I HA 0.742 4.913 4.170 0.000 0.000 0.298 99 I C -0.502 175.577 176.117 -0.064 0.000 0.998 99 I CA -0.861 60.457 61.300 0.030 0.000 1.137 99 I CB 1.814 39.839 38.000 0.042 0.000 1.310 99 I HN 0.602 nan 8.210 nan 0.000 0.445 100 V N 7.392 127.209 119.914 -0.161 0.000 2.656 100 V HA 0.549 4.669 4.120 0.000 0.000 0.307 100 V C -1.545 174.384 176.094 -0.275 0.000 1.051 100 V CA -0.375 61.857 62.300 -0.114 0.000 0.893 100 V CB 2.096 33.879 31.823 -0.067 0.000 0.999 100 V HN 0.541 nan 8.190 nan 0.000 0.426 101 Y N 5.548 125.783 120.300 -0.108 0.000 2.377 101 Y HA 0.527 5.077 4.550 -0.000 0.000 0.339 101 Y C -0.512 175.021 175.900 -0.612 0.000 1.011 101 Y CA -0.600 57.286 58.100 -0.357 0.000 1.093 101 Y CB 1.699 39.827 38.460 -0.553 0.000 1.201 101 Y HN 0.731 nan 8.280 nan 0.000 0.455 102 Y N 3.200 123.114 120.300 -0.643 0.000 2.326 102 Y HA 0.389 4.939 4.550 -0.000 0.000 0.337 102 Y C -0.827 174.487 175.900 -0.978 0.000 1.023 102 Y CA -1.288 56.169 58.100 -1.071 0.000 1.143 102 Y CB 0.375 38.435 38.460 -0.666 0.000 1.183 102 Y HN 0.587 nan 8.280 nan 0.000 0.485 103 F N 1.452 120.718 119.950 -1.139 0.000 2.480 103 F HA 0.239 4.766 4.527 -0.000 0.000 0.280 103 F C 1.069 176.279 175.800 -0.984 0.000 1.002 103 F CA 0.770 58.217 58.000 -0.922 0.000 1.325 103 F CB -0.320 38.177 39.000 -0.839 0.000 1.134 103 F HN 0.489 nan 8.300 nan 0.000 0.646 104 T N -3.448 110.724 114.554 -0.636 0.000 2.812 104 T HA 0.289 4.639 4.350 0.000 0.000 0.294 104 T C 0.669 175.338 174.700 -0.052 0.000 1.159 104 T CA -0.582 61.335 62.100 -0.305 0.000 1.008 104 T CB 1.947 70.837 68.868 0.036 0.000 1.289 104 T HN -0.133 nan 8.240 nan 0.000 0.514 105 E N 0.502 120.847 120.200 0.242 0.000 2.171 105 E HA -0.118 4.232 4.350 0.000 0.000 0.197 105 E C 0.464 177.328 176.600 0.440 0.000 0.997 105 E CA 1.477 58.112 56.400 0.393 0.000 0.810 105 E CB -0.175 29.692 29.700 0.278 0.000 0.738 105 E HN 0.620 nan 8.360 nan 0.000 0.467 106 D N -1.307 119.295 120.400 0.337 0.000 2.424 106 D HA 0.080 4.720 4.640 0.000 0.000 0.220 106 D C -0.736 175.837 176.300 0.455 0.000 1.150 106 D CA -0.085 54.123 54.000 0.347 0.000 0.831 106 D CB 0.128 41.060 40.800 0.219 0.000 0.981 106 D HN -0.052 nan 8.370 nan 0.000 0.500 107 F N 1.251 121.358 119.950 0.261 0.000 2.915 107 F HA 0.402 4.929 4.527 0.000 0.000 0.350 107 F C -2.004 173.887 175.800 0.152 0.000 1.248 107 F CA -1.493 56.651 58.000 0.239 0.000 1.084 107 F CB 0.178 39.271 39.000 0.154 0.000 1.391 107 F HN -0.344 nan 8.300 nan 0.000 0.548 108 F N 4.225 124.271 119.950 0.160 0.000 2.598 108 F HA 0.713 5.240 4.527 0.001 0.000 0.327 108 F C -0.235 175.522 175.800 -0.071 0.000 1.057 108 F CA -0.973 56.941 58.000 -0.144 0.000 0.957 108 F CB 1.973 40.968 39.000 -0.009 0.000 1.278 108 F HN 0.431 nan 8.300 nan 0.000 0.484 109 R N 1.811 122.334 120.500 0.037 0.000 2.628 109 R HA 0.751 5.091 4.340 0.000 0.000 0.288 109 R C -2.114 174.312 176.300 0.210 0.000 0.980 109 R CA -0.520 55.675 56.100 0.158 0.000 0.891 109 R CB 1.375 31.736 30.300 0.101 0.000 1.188 109 R HN 0.742 nan 8.270 nan 0.000 0.450 110 L N 3.576 124.904 121.223 0.176 0.000 2.334 110 L HA 0.664 5.004 4.340 0.000 0.000 0.272 110 L C -0.713 176.244 176.870 0.146 0.000 1.020 110 L CA -1.348 53.576 54.840 0.140 0.000 0.812 110 L CB 2.128 44.242 42.059 0.091 0.000 1.264 110 L HN 0.316 nan 8.230 nan 0.000 0.439 111 V N 2.463 122.461 119.914 0.140 0.000 2.483 111 V HA 0.485 4.605 4.120 0.000 0.000 0.297 111 V C -0.191 175.944 176.094 0.068 0.000 1.027 111 V CA -0.677 61.697 62.300 0.123 0.000 0.855 111 V CB 1.982 33.918 31.823 0.188 0.000 0.995 111 V HN 0.540 nan 8.190 nan 0.000 0.424 112 V N 1.783 121.724 119.914 0.046 0.000 2.815 112 V HA 0.696 4.817 4.120 0.000 0.000 0.314 112 V C 0.022 176.122 176.094 0.010 0.000 1.064 112 V CA -1.024 61.282 62.300 0.009 0.000 0.952 112 V CB 1.971 33.790 31.823 -0.007 0.000 1.020 112 V HN 0.725 nan 8.190 nan 0.000 0.439 113 N N 1.841 120.530 118.700 -0.018 0.000 2.381 113 N HA 0.033 4.773 4.740 0.000 0.000 0.241 113 N C 1.382 176.897 175.510 0.009 0.000 1.279 113 N CA 0.682 53.730 53.050 -0.003 0.000 0.896 113 N CB 1.219 39.694 38.487 -0.020 0.000 1.118 113 N HN 0.929 nan 8.380 nan 0.000 0.438 114 S N 0.921 116.655 115.700 0.056 0.000 2.368 114 S HA -0.113 4.358 4.470 0.000 0.000 0.224 114 S C 1.772 176.334 174.600 -0.063 0.000 1.029 114 S CA 1.272 59.517 58.200 0.075 0.000 0.988 114 S CB -0.193 63.136 63.200 0.215 0.000 0.838 114 S HN 0.661 nan 8.310 nan 0.000 0.462 115 A N 0.372 123.029 122.820 -0.272 0.000 2.015 115 A HA 0.010 4.330 4.320 0.000 0.000 0.219 115 A C 2.050 179.492 177.584 -0.236 0.000 1.163 115 A CA 1.816 53.508 52.037 -0.576 0.000 0.646 115 A CB -0.806 17.543 19.000 -1.085 0.000 0.806 115 A HN 0.726 nan 8.150 nan 0.000 0.448 116 T N -3.537 110.921 114.554 -0.159 0.000 3.176 116 T HA 0.218 4.568 4.350 0.000 0.000 0.263 116 T C 1.385 176.038 174.700 -0.079 0.000 1.021 116 T CA 0.166 62.181 62.100 -0.142 0.000 0.905 116 T CB 0.084 68.788 68.868 -0.275 0.000 1.057 116 T HN 0.481 nan 8.240 nan 0.000 0.558 117 R N 1.686 122.168 120.500 -0.029 0.000 2.094 117 R HA -0.147 4.193 4.340 0.000 0.000 0.239 117 R C 1.823 178.144 176.300 0.035 0.000 1.137 117 R CA 1.757 57.869 56.100 0.020 0.000 0.943 117 R CB -0.102 30.238 30.300 0.066 0.000 0.850 117 R HN 0.276 nan 8.270 nan 0.000 0.433 118 E N 0.619 120.841 120.200 0.037 0.000 2.072 118 E HA -0.161 4.189 4.350 0.000 0.000 0.190 118 E C 1.850 178.486 176.600 0.059 0.000 0.982 118 E CA 0.871 57.303 56.400 0.052 0.000 0.803 118 E CB -0.202 29.528 29.700 0.049 0.000 0.755 118 E HN 0.372 nan 8.360 nan 0.000 0.453 119 K N 0.921 121.343 120.400 0.037 0.000 2.063 119 K HA -0.197 4.123 4.320 0.000 0.000 0.208 119 K C 1.434 178.082 176.600 0.080 0.000 1.048 119 K CA 1.828 58.142 56.287 0.044 0.000 0.928 119 K CB 0.070 32.560 32.500 -0.017 0.000 0.713 119 K HN -0.083 nan 8.250 nan 0.000 0.442 120 D N 0.680 121.101 120.400 0.035 0.000 2.117 120 D HA -0.112 4.528 4.640 0.000 0.000 0.198 120 D C 1.985 178.382 176.300 0.162 0.000 0.982 120 D CA 0.861 54.904 54.000 0.072 0.000 0.828 120 D CB -0.125 40.675 40.800 -0.000 0.000 0.967 120 D HN 0.209 nan 8.370 nan 0.000 0.464 121 L N 0.511 121.805 121.223 0.119 0.000 2.046 121 L HA -0.167 4.173 4.340 0.000 0.000 0.208 121 L C 2.423 179.381 176.870 0.147 0.000 1.077 121 L CA 0.972 55.885 54.840 0.123 0.000 0.747 121 L CB -0.355 41.758 42.059 0.090 0.000 0.896 121 L HN -0.028 nan 8.230 nan 0.000 0.432 122 S N -1.141 114.653 115.700 0.158 0.000 2.368 122 S HA -0.208 4.262 4.470 0.000 0.000 0.225 122 S C 1.587 176.331 174.600 0.241 0.000 1.030 122 S CA 1.094 59.391 58.200 0.161 0.000 0.999 122 S CB -0.382 62.913 63.200 0.159 0.000 0.844 122 S HN 0.524 nan 8.310 nan 0.000 0.459 123 W N 2.076 123.445 121.300 0.115 0.000 2.355 123 W HA -0.124 4.536 4.660 -0.000 0.000 0.309 123 W C 1.717 178.427 176.519 0.319 0.000 1.206 123 W CA 1.114 58.588 57.345 0.214 0.000 1.284 123 W CB -0.403 29.130 29.460 0.122 0.000 1.145 123 W HN 0.266 nan 8.180 nan 0.000 0.502 124 I N 1.052 121.839 120.570 0.361 0.000 2.142 124 I HA -0.358 3.812 4.170 0.000 0.000 0.240 124 I C 2.659 178.879 176.117 0.172 0.000 1.078 124 I CA 2.254 63.743 61.300 0.316 0.000 1.343 124 I CB -0.983 37.185 38.000 0.281 0.000 1.046 124 I HN -0.049 nan 8.210 nan 0.000 0.405 125 T N -1.571 113.040 114.554 0.095 0.000 2.821 125 T HA -0.258 4.092 4.350 0.000 0.000 0.267 125 T C 1.816 176.482 174.700 -0.057 0.000 1.046 125 T CA 1.288 63.389 62.100 0.002 0.000 1.139 125 T CB -0.514 68.360 68.868 0.010 0.000 0.871 125 T HN 0.399 nan 8.240 nan 0.000 0.454 126 Q N 0.470 120.228 119.800 -0.070 0.000 2.061 126 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 126 Q C 2.027 177.828 176.000 -0.332 0.000 0.984 126 Q CA 2.032 57.694 55.803 -0.237 0.000 0.846 126 Q CB -0.211 28.324 28.738 -0.337 0.000 0.902 126 Q HN 0.808 nan 8.270 nan 0.000 0.421 127 H N -1.424 117.562 119.070 -0.140 0.000 2.525 127 H HA 0.221 4.777 4.556 0.000 0.000 0.275 127 H C 1.544 176.944 175.328 0.121 0.000 0.984 127 H CA 0.759 56.820 56.048 0.021 0.000 1.264 127 H CB 0.303 30.084 29.762 0.031 0.000 1.432 127 H HN 0.380 nan 8.280 nan 0.000 0.549 128 A N 0.587 123.301 122.820 -0.178 0.000 2.016 128 A HA -0.127 4.194 4.320 0.000 0.000 0.217 128 A C 2.083 179.514 177.584 -0.255 0.000 1.162 128 A CA 1.145 52.695 52.037 -0.810 0.000 0.662 128 A CB -0.199 18.183 19.000 -1.030 0.000 0.812 128 A HN 0.488 nan 8.150 nan 0.000 0.450 129 E N 0.358 120.459 120.200 -0.164 0.000 2.065 129 E HA -0.190 4.160 4.350 0.000 0.000 0.201 129 E C -0.765 175.751 176.600 -0.140 0.000 1.016 129 E CA 1.795 58.113 56.400 -0.136 0.000 0.818 129 E CB -0.587 29.037 29.700 -0.125 0.000 0.749 129 E HN 0.486 nan 8.360 nan 0.000 0.453 130 P HA -0.101 nan 4.420 nan 0.000 0.230 130 P C 0.317 177.365 177.300 -0.421 0.000 1.158 130 P CA 0.963 63.869 63.100 -0.324 0.000 0.769 130 P CB -0.139 31.290 31.700 -0.451 0.000 0.807 131 F N -0.487 119.384 119.950 -0.131 0.000 2.765 131 F HA 0.352 4.879 4.527 0.000 0.000 0.302 131 F C 1.752 177.494 175.800 -0.096 0.000 1.111 131 F CA 0.546 58.489 58.000 -0.095 0.000 1.359 131 F CB -0.765 38.187 39.000 -0.080 0.000 1.097 131 F HN -0.023 nan 8.300 nan 0.000 0.577 132 G N 1.776 110.576 108.800 -0.001 0.000 2.273 132 G HA2 -0.323 3.637 3.960 0.000 0.000 0.280 132 G HA3 -0.323 3.637 3.960 0.000 0.000 0.280 132 G C 0.123 175.022 174.900 -0.002 0.000 1.047 132 G CA -0.129 44.964 45.100 -0.013 0.000 0.869 132 G HN 0.349 nan 8.290 nan 0.000 0.502 133 I N 0.201 120.748 120.570 -0.038 0.000 2.441 133 I HA 0.207 4.377 4.170 0.000 0.000 0.287 133 I C 0.961 177.061 176.117 -0.027 0.000 1.049 133 I CA -0.343 60.937 61.300 -0.034 0.000 1.381 133 I CB 1.185 39.114 38.000 -0.117 0.000 1.409 133 I HN 0.257 nan 8.210 nan 0.000 0.523 134 E N 7.137 127.341 120.200 0.006 0.000 2.217 134 E HA 0.272 4.622 4.350 0.000 0.000 0.279 134 E C -0.981 175.630 176.600 0.019 0.000 1.068 134 E CA -0.362 56.039 56.400 0.001 0.000 0.882 134 E CB 0.593 30.291 29.700 -0.004 0.000 1.039 134 E HN 0.436 nan 8.360 nan 0.000 0.418 135 I N 4.259 124.835 120.570 0.009 0.000 2.339 135 I HA 0.188 4.358 4.170 0.000 0.000 0.290 135 I C -0.300 175.838 176.117 0.035 0.000 0.994 135 I CA -0.382 60.938 61.300 0.033 0.000 1.191 135 I CB 1.957 39.968 38.000 0.017 0.000 1.343 135 I HN 0.370 nan 8.210 nan 0.000 0.458 136 T N 5.672 120.258 114.554 0.054 0.000 2.786 136 T HA 0.379 4.729 4.350 0.000 0.000 0.283 136 T C -0.213 174.516 174.700 0.048 0.000 0.992 136 T CA -0.466 61.656 62.100 0.036 0.000 0.954 136 T CB 1.669 70.547 68.868 0.017 0.000 0.934 136 T HN 0.130 nan 8.240 nan 0.000 0.440 137 V N 5.201 125.139 119.914 0.041 0.000 2.385 137 V HA 0.289 4.409 4.120 0.000 0.000 0.269 137 V C 0.771 176.884 176.094 0.033 0.000 1.043 137 V CA -0.703 61.625 62.300 0.046 0.000 0.906 137 V CB 0.547 32.401 31.823 0.052 0.000 0.995 137 V HN 0.662 nan 8.190 nan 0.000 0.467 138 R N 3.022 123.538 120.500 0.026 0.000 4.496 138 R HA 0.165 4.505 4.340 0.000 0.000 0.211 138 R C 0.239 176.544 176.300 0.007 0.000 1.738 138 R CA -0.206 55.898 56.100 0.006 0.000 1.528 138 R CB -0.346 29.944 30.300 -0.016 0.000 1.414 138 R HN 0.612 nan 8.270 nan 0.000 0.812 139 D N 0.771 121.186 120.400 0.025 0.000 2.378 139 D HA -0.115 4.525 4.640 0.000 0.000 0.227 139 D C 1.132 177.442 176.300 0.017 0.000 1.012 139 D CA 0.769 54.789 54.000 0.033 0.000 0.905 139 D CB 0.247 41.087 40.800 0.067 0.000 0.895 139 D HN 0.446 nan 8.370 nan 0.000 0.532 140 D N -0.175 120.227 120.400 0.004 0.000 2.347 140 D HA -0.106 4.534 4.640 0.000 0.000 0.215 140 D C 0.655 176.942 176.300 -0.021 0.000 0.976 140 D CA 0.157 54.154 54.000 -0.005 0.000 0.884 140 D CB 0.282 41.076 40.800 -0.010 0.000 0.915 140 D HN 0.210 nan 8.370 nan 0.000 0.526 141 L N 0.815 122.020 121.223 -0.031 0.000 2.309 141 L HA 0.321 4.661 4.340 0.000 0.000 0.282 141 L C 0.259 177.093 176.870 -0.060 0.000 1.036 141 L CA -0.609 54.204 54.840 -0.045 0.000 0.806 141 L CB 1.962 43.990 42.059 -0.051 0.000 1.220 141 L HN -0.163 nan 8.230 nan 0.000 0.429 142 S N 2.679 118.341 115.700 -0.063 0.000 2.745 142 S HA 0.758 5.228 4.470 0.000 0.000 0.292 142 S C -0.586 173.991 174.600 -0.038 0.000 1.133 142 S CA -0.641 57.508 58.200 -0.085 0.000 0.998 142 S CB 1.992 65.149 63.200 -0.071 0.000 1.087 142 S HN 0.589 nan 8.310 nan 0.000 0.551 143 M N 1.765 121.357 119.600 -0.013 0.000 2.365 143 M HA 0.546 5.026 4.480 0.000 0.000 0.287 143 M C -2.352 174.035 176.300 0.144 0.000 1.154 143 M CA -0.287 55.050 55.300 0.062 0.000 0.941 143 M CB 1.248 33.886 32.600 0.063 0.000 1.704 143 M HN 0.593 nan 8.290 nan 0.000 0.479 144 I N 3.185 123.885 120.570 0.216 0.000 2.465 144 I HA 0.633 4.803 4.170 0.000 0.000 0.291 144 I C -0.306 175.994 176.117 0.305 0.000 1.014 144 I CA -0.735 60.766 61.300 0.334 0.000 1.093 144 I CB 2.182 40.444 38.000 0.437 0.000 1.267 144 I HN 0.780 nan 8.210 nan 0.000 0.431 145 A N 6.607 129.633 122.820 0.344 0.000 2.276 145 A HA 0.704 5.024 4.320 0.000 0.000 0.300 145 A C -0.559 177.223 177.584 0.330 0.000 1.235 145 A CA -0.396 51.834 52.037 0.323 0.000 0.867 145 A CB 0.516 19.707 19.000 0.318 0.000 1.137 145 A HN 0.454 nan 8.150 nan 0.000 0.527 146 V N 4.413 124.471 119.914 0.240 0.000 2.378 146 V HA 0.440 4.561 4.120 0.000 0.000 0.288 146 V C -0.503 175.653 176.094 0.102 0.000 1.016 146 V CA -0.526 61.859 62.300 0.141 0.000 0.840 146 V CB 1.052 32.948 31.823 0.121 0.000 0.994 146 V HN 0.916 nan 8.190 nan 0.000 0.431 147 Q N 2.700 122.559 119.800 0.098 0.000 2.372 147 Q HA 0.826 5.166 4.340 0.000 0.000 0.273 147 Q C 0.071 176.076 176.000 0.008 0.000 1.078 147 Q CA -0.231 55.618 55.803 0.076 0.000 0.806 147 Q CB 2.892 31.743 28.738 0.187 0.000 1.332 147 Q HN 1.101 nan 8.270 nan 0.000 0.435 148 G N 1.860 110.636 108.800 -0.039 0.000 2.347 148 G HA2 -0.013 3.947 3.960 0.000 0.000 0.477 148 G HA3 -0.013 3.947 3.960 0.000 0.000 0.477 148 G C -2.579 172.267 174.900 -0.091 0.000 1.349 148 G CA -0.692 44.366 45.100 -0.069 0.000 1.000 148 G HN 0.329 nan 8.290 nan 0.000 0.605 149 P HA 0.023 nan 4.420 nan 0.000 0.226 149 P C 0.756 177.996 177.300 -0.100 0.000 1.153 149 P CA 0.878 63.924 63.100 -0.091 0.000 0.777 149 P CB 0.161 31.812 31.700 -0.080 0.000 0.794 150 N N -0.861 117.775 118.700 -0.107 0.000 2.203 150 N HA 0.165 4.906 4.740 0.000 0.000 0.207 150 N C 1.435 176.866 175.510 -0.131 0.000 1.130 150 N CA 0.143 53.126 53.050 -0.112 0.000 0.861 150 N CB 0.043 38.469 38.487 -0.102 0.000 1.005 150 N HN 0.031 nan 8.380 nan 0.000 0.507 151 A N 0.949 123.684 122.820 -0.142 0.000 1.898 151 A HA -0.136 4.184 4.320 0.000 0.000 0.216 151 A C 2.087 179.557 177.584 -0.190 0.000 1.181 151 A CA 1.127 53.077 52.037 -0.144 0.000 0.620 151 A CB -0.288 18.643 19.000 -0.115 0.000 0.819 151 A HN 0.238 nan 8.150 nan 0.000 0.442 152 Q N -0.534 119.080 119.800 -0.310 0.000 2.050 152 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 152 Q C 2.435 178.346 176.000 -0.148 0.000 0.980 152 Q CA 1.483 57.027 55.803 -0.432 0.000 0.840 152 Q CB -0.401 27.984 28.738 -0.587 0.000 0.898 152 Q HN 0.679 nan 8.270 nan 0.000 0.424 153 A N 1.416 124.151 122.820 -0.142 0.000 1.902 153 A HA -0.212 4.108 4.320 0.000 0.000 0.217 153 A C 1.919 179.413 177.584 -0.150 0.000 1.181 153 A CA 1.553 53.520 52.037 -0.117 0.000 0.623 153 A CB -0.271 18.672 19.000 -0.096 0.000 0.818 153 A HN 0.178 nan 8.150 nan 0.000 0.443 154 K N -0.357 119.951 120.400 -0.154 0.000 2.062 154 K HA 0.036 4.356 4.320 0.000 0.000 0.205 154 K C 2.323 178.788 176.600 -0.225 0.000 1.051 154 K CA 0.991 57.173 56.287 -0.175 0.000 0.941 154 K CB -0.304 32.098 32.500 -0.164 0.000 0.719 154 K HN 0.415 nan 8.250 nan 0.000 0.440 155 A N 1.641 124.341 122.820 -0.200 0.000 1.902 155 A HA -0.120 4.200 4.320 0.000 0.000 0.217 155 A C 2.358 179.521 177.584 -0.702 0.000 1.181 155 A CA 1.835 53.722 52.037 -0.251 0.000 0.623 155 A CB -0.710 18.341 19.000 0.086 0.000 0.818 155 A HN 0.328 nan 8.150 nan 0.000 0.443 156 A N -0.142 122.229 122.820 -0.748 0.000 2.125 156 A HA -0.056 4.264 4.320 0.000 0.000 0.219 156 A C 2.284 179.538 177.584 -0.550 0.000 1.156 156 A CA 2.192 53.584 52.037 -1.075 0.000 0.671 156 A CB -1.363 17.414 19.000 -0.372 0.000 0.794 156 A HN 0.828 nan 8.150 nan 0.000 0.459 157 T N -1.644 112.697 114.554 -0.355 0.000 2.897 157 T HA -0.067 4.283 4.350 0.000 0.000 0.271 157 T C 1.499 176.091 174.700 -0.180 0.000 1.084 157 T CA 1.477 63.452 62.100 -0.209 0.000 1.123 157 T CB -0.484 68.282 68.868 -0.170 0.000 0.865 157 T HN 0.383 nan 8.240 nan 0.000 0.496 158 L N -0.857 120.216 121.223 -0.251 0.000 2.567 158 L HA 0.353 4.693 4.340 0.000 0.000 0.225 158 L C 0.187 177.170 176.870 0.189 0.000 1.119 158 L CA -0.356 54.432 54.840 -0.086 0.000 0.871 158 L CB -0.261 41.666 42.059 -0.219 0.000 1.036 158 L HN 0.168 nan 8.230 nan 0.000 0.459 159 F N 1.445 121.429 119.950 0.057 0.000 2.382 159 F HA 0.181 4.707 4.527 -0.001 0.000 0.331 159 F C 0.988 176.803 175.800 0.026 0.000 1.121 159 F CA -2.016 56.016 58.000 0.053 0.000 1.183 159 F CB -0.034 38.977 39.000 0.019 0.000 1.207 159 F HN 0.082 nan 8.300 nan 0.000 0.555 160 N N 0.338 119.165 118.700 0.212 0.000 2.328 160 N HA 0.037 4.777 4.740 0.000 0.000 0.277 160 N C 0.355 175.922 175.510 0.095 0.000 1.286 160 N CA -0.194 52.924 53.050 0.112 0.000 0.949 160 N CB 0.203 38.728 38.487 0.063 0.000 1.136 160 N HN 0.387 nan 8.380 nan 0.000 0.550 161 D N -0.993 119.439 120.400 0.053 0.000 2.123 161 D HA -0.021 4.619 4.640 0.000 0.000 0.200 161 D C 1.757 178.070 176.300 0.021 0.000 0.976 161 D CA 1.668 55.692 54.000 0.040 0.000 0.831 161 D CB -0.663 40.151 40.800 0.024 0.000 0.974 161 D HN 0.667 nan 8.370 nan 0.000 0.469 162 A N 0.761 123.582 122.820 0.001 0.000 1.902 162 A HA -0.225 4.095 4.320 0.000 0.000 0.217 162 A C 2.137 179.687 177.584 -0.057 0.000 1.181 162 A CA 1.443 53.464 52.037 -0.027 0.000 0.623 162 A CB -0.597 18.381 19.000 -0.036 0.000 0.818 162 A HN 0.191 nan 8.150 nan 0.000 0.443 163 Q N -0.730 119.026 119.800 -0.073 0.000 2.084 163 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 163 Q C 2.363 178.284 176.000 -0.132 0.000 0.978 163 Q CA 1.520 57.204 55.803 -0.198 0.000 0.844 163 Q CB -0.153 28.401 28.738 -0.307 0.000 0.898 163 Q HN 0.616 nan 8.270 nan 0.000 0.426 164 R N 0.310 120.857 120.500 0.079 0.000 2.091 164 R HA -0.208 4.132 4.340 0.000 0.000 0.238 164 R C 2.332 178.666 176.300 0.057 0.000 1.136 164 R CA 1.660 57.855 56.100 0.158 0.000 0.959 164 R CB -0.229 30.166 30.300 0.158 0.000 0.856 164 R HN 0.340 nan 8.270 nan 0.000 0.437 165 Q N 0.371 120.180 119.800 0.015 0.000 2.119 165 Q HA -0.107 4.233 4.340 0.000 0.000 0.201 165 Q C 1.972 177.952 176.000 -0.033 0.000 0.972 165 Q CA 1.436 57.236 55.803 -0.004 0.000 0.847 165 Q CB -0.038 28.695 28.738 -0.009 0.000 0.903 165 Q HN 0.370 nan 8.270 nan 0.000 0.433 166 A N 0.350 123.128 122.820 -0.070 0.000 2.019 166 A HA -0.122 4.198 4.320 0.000 0.000 0.219 166 A C 1.916 179.437 177.584 -0.106 0.000 1.164 166 A CA 1.592 53.567 52.037 -0.103 0.000 0.644 166 A CB -0.469 18.439 19.000 -0.154 0.000 0.805 166 A HN 0.458 nan 8.150 nan 0.000 0.449 167 V N -2.776 117.085 119.914 -0.090 0.000 3.621 167 V HA 0.202 4.322 4.120 0.000 0.000 0.285 167 V C 0.236 176.343 176.094 0.022 0.000 1.346 167 V CA -0.277 61.991 62.300 -0.054 0.000 1.104 167 V CB -0.802 30.988 31.823 -0.056 0.000 0.913 167 V HN 0.431 nan 8.190 nan 0.000 0.432 168 E N 1.876 122.084 120.200 0.012 0.000 2.529 168 E HA 0.328 4.678 4.350 0.000 0.000 0.259 168 E C 1.376 177.967 176.600 -0.014 0.000 0.966 168 E CA 0.892 57.302 56.400 0.015 0.000 0.937 168 E CB 0.303 30.004 29.700 0.002 0.000 0.923 168 E HN 0.732 nan 8.360 nan 0.000 0.468 169 G N 3.679 112.476 108.800 -0.005 0.000 2.166 169 G HA2 -0.367 3.593 3.960 0.000 0.000 0.260 169 G HA3 -0.367 3.593 3.960 0.000 0.000 0.260 169 G C 0.349 175.205 174.900 -0.075 0.000 0.986 169 G CA 0.223 45.302 45.100 -0.035 0.000 0.683 169 G HN 0.541 nan 8.290 nan 0.000 0.527 170 M N 1.301 120.874 119.600 -0.044 0.000 2.356 170 M HA 0.170 4.650 4.480 0.000 0.000 0.348 170 M C 1.029 177.305 176.300 -0.040 0.000 1.595 170 M CA 0.596 55.842 55.300 -0.090 0.000 1.095 170 M CB 0.138 32.760 32.600 0.037 0.000 1.963 170 M HN 0.209 nan 8.290 nan 0.000 0.459 171 K N 5.446 125.760 120.400 -0.143 0.000 2.149 171 K HA 0.336 4.656 4.320 0.000 0.000 0.245 171 K C -2.418 174.355 176.600 0.288 0.000 1.024 171 K CA -1.533 54.793 56.287 0.065 0.000 0.899 171 K CB -0.354 32.204 32.500 0.096 0.000 1.038 171 K HN 0.367 nan 8.250 nan 0.000 0.496 172 P HA -0.055 nan 4.420 nan 0.000 0.266 172 P C -0.673 176.946 177.300 0.531 0.000 1.195 172 P CA 0.196 63.507 63.100 0.353 0.000 0.768 172 P CB 0.029 31.922 31.700 0.321 0.000 0.838 173 F N -0.617 119.458 119.950 0.209 0.000 2.905 173 F HA -0.199 4.328 4.527 -0.000 0.000 0.311 173 F C -0.294 175.523 175.800 0.029 0.000 1.005 173 F CA 0.929 58.987 58.000 0.097 0.000 1.029 173 F CB -1.997 37.003 39.000 -0.000 0.000 1.151 173 F HN 0.158 nan 8.300 nan 0.000 0.805 174 F N -0.418 119.635 119.950 0.171 0.000 2.613 174 F HA 0.798 5.326 4.527 0.001 0.000 0.314 174 F C 0.549 176.473 175.800 0.207 0.000 1.075 174 F CA -0.584 57.535 58.000 0.199 0.000 0.945 174 F CB 2.237 41.318 39.000 0.135 0.000 1.310 174 F HN 0.014 nan 8.300 nan 0.000 0.467 175 G N 0.663 109.707 108.800 0.408 0.000 2.667 175 G HA2 0.605 4.565 3.960 0.000 0.000 0.298 175 G HA3 0.605 4.565 3.960 0.000 0.000 0.298 175 G C -2.390 172.475 174.900 -0.058 0.000 1.377 175 G CA -0.902 44.146 45.100 -0.086 0.000 0.964 175 G HN 0.681 nan 8.290 nan 0.000 0.493 176 V N 0.716 120.383 119.914 -0.412 0.000 2.808 176 V HA 0.664 4.785 4.120 0.000 0.000 0.308 176 V C -1.073 174.856 176.094 -0.275 0.000 1.099 176 V CA -0.845 61.335 62.300 -0.200 0.000 0.920 176 V CB 2.136 33.875 31.823 -0.141 0.000 1.014 176 V HN 0.837 nan 8.190 nan 0.000 0.425 177 Q N 4.281 124.023 119.800 -0.098 0.000 2.307 177 Q HA 0.704 5.044 4.340 0.000 0.000 0.259 177 Q C -0.356 175.557 176.000 -0.145 0.000 0.998 177 Q CA 0.504 56.267 55.803 -0.066 0.000 0.923 177 Q CB 1.347 30.029 28.738 -0.094 0.000 1.196 177 Q HN 1.050 nan 8.270 nan 0.000 0.416 178 A N 4.298 127.004 122.820 -0.190 0.000 2.431 178 A HA 0.688 5.008 4.320 0.000 0.000 0.318 178 A C 0.658 178.142 177.584 -0.168 0.000 1.330 178 A CA 0.048 51.968 52.037 -0.196 0.000 0.804 178 A CB -0.056 18.773 19.000 -0.285 0.000 1.135 178 A HN 1.093 nan 8.150 nan 0.000 0.483 179 G N 2.832 111.561 108.800 -0.118 0.000 2.622 179 G HA2 -0.371 3.589 3.960 0.000 0.000 0.307 179 G HA3 -0.371 3.589 3.960 0.000 0.000 0.307 179 G C 0.629 175.471 174.900 -0.098 0.000 1.226 179 G CA 1.063 46.107 45.100 -0.094 0.000 0.997 179 G HN 1.347 nan 8.290 nan 0.000 0.551 180 D N 0.984 121.327 120.400 -0.096 0.000 2.328 180 D HA 0.199 4.839 4.640 0.000 0.000 0.226 180 D C 1.049 177.270 176.300 -0.130 0.000 1.066 180 D CA 0.203 54.145 54.000 -0.096 0.000 0.861 180 D CB -0.227 40.528 40.800 -0.075 0.000 0.912 180 D HN 0.552 nan 8.370 nan 0.000 0.521 181 L N 0.612 121.733 121.223 -0.171 0.000 2.282 181 L HA 0.392 4.732 4.340 0.000 0.000 0.288 181 L C -0.724 176.053 176.870 -0.155 0.000 1.033 181 L CA -1.224 53.483 54.840 -0.222 0.000 0.807 181 L CB 1.320 43.172 42.059 -0.345 0.000 1.209 181 L HN -0.133 nan 8.230 nan 0.000 0.423 182 F N 5.041 124.839 119.950 -0.255 0.000 2.385 182 F HA 0.563 5.090 4.527 0.001 0.000 0.360 182 F C -0.371 175.289 175.800 -0.233 0.000 1.122 182 F CA -0.565 57.289 58.000 -0.245 0.000 1.090 182 F CB 0.659 39.531 39.000 -0.214 0.000 1.150 182 F HN 0.214 nan 8.300 nan 0.000 0.472 183 I N 6.013 126.100 120.570 -0.805 0.000 2.406 183 I HA 0.650 4.820 4.170 0.000 0.000 0.290 183 I C -0.553 175.160 176.117 -0.674 0.000 0.999 183 I CA -0.620 60.296 61.300 -0.641 0.000 1.124 183 I CB 1.600 39.158 38.000 -0.736 0.000 1.289 183 I HN 0.731 nan 8.210 nan 0.000 0.441 184 A N 3.001 125.607 122.820 -0.356 0.000 2.414 184 A HA 0.677 4.998 4.320 0.000 0.000 0.306 184 A C -0.003 177.660 177.584 0.131 0.000 1.054 184 A CA -0.593 51.363 52.037 -0.135 0.000 0.724 184 A CB 1.205 20.183 19.000 -0.036 0.000 1.267 184 A HN 0.699 nan 8.150 nan 0.000 0.418 185 T N 0.293 114.946 114.554 0.165 0.000 3.783 185 T HA 0.453 4.803 4.350 0.000 0.000 0.262 185 T C 0.472 175.114 174.700 -0.096 0.000 1.381 185 T CA 0.232 62.424 62.100 0.154 0.000 1.155 185 T CB -1.256 67.734 68.868 0.204 0.000 1.256 185 T HN 0.917 nan 8.240 nan 0.000 0.807 186 T N -1.587 112.879 114.554 -0.147 0.000 2.841 186 T HA 0.930 5.280 4.350 0.000 0.000 0.276 186 T C 0.203 174.827 174.700 -0.127 0.000 1.003 186 T CA -0.622 61.233 62.100 -0.409 0.000 0.995 186 T CB 1.959 70.577 68.868 -0.415 0.000 1.260 186 T HN 0.889 nan 8.240 nan 0.000 0.581 187 G N -1.140 107.615 108.800 -0.075 0.000 2.321 187 G HA2 0.357 4.317 3.960 0.000 0.000 0.298 187 G HA3 0.357 4.317 3.960 0.000 0.000 0.298 187 G C -1.826 173.159 174.900 0.141 0.000 1.385 187 G CA -0.682 44.448 45.100 0.050 0.000 0.856 187 G HN 0.778 nan 8.290 nan 0.000 0.584 188 Y N 0.907 121.174 120.300 -0.054 0.000 2.713 188 Y HA 0.427 4.977 4.550 -0.000 0.000 0.269 188 Y C 1.723 177.571 175.900 -0.087 0.000 1.106 188 Y CA 0.491 58.553 58.100 -0.063 0.000 1.174 188 Y CB 0.403 38.807 38.460 -0.094 0.000 1.186 188 Y HN 0.813 nan 8.280 nan 0.000 0.555 189 T N -5.347 109.191 114.554 -0.026 0.000 2.969 189 T HA 0.344 4.694 4.350 0.000 0.000 0.258 189 T C 1.545 176.200 174.700 -0.075 0.000 0.962 189 T CA 0.453 62.495 62.100 -0.097 0.000 0.903 189 T CB 0.243 69.079 68.868 -0.054 0.000 1.177 189 T HN 0.451 nan 8.240 nan 0.000 0.511 190 G N 1.436 110.216 108.800 -0.033 0.000 2.176 190 G HA2 -0.176 3.784 3.960 0.000 0.000 0.253 190 G HA3 -0.176 3.784 3.960 0.000 0.000 0.253 190 G C -0.196 174.689 174.900 -0.024 0.000 0.979 190 G CA 0.188 45.273 45.100 -0.026 0.000 0.641 190 G HN 0.631 nan 8.290 nan 0.000 0.530 191 E N -0.092 120.093 120.200 -0.024 0.000 2.259 191 E HA 0.748 5.098 4.350 0.000 0.000 0.257 191 E C 0.723 177.311 176.600 -0.019 0.000 0.998 191 E CA -0.083 56.299 56.400 -0.029 0.000 0.866 191 E CB 1.401 31.075 29.700 -0.044 0.000 1.220 191 E HN 0.676 nan 8.360 nan 0.000 0.415 192 A N -0.093 122.702 122.820 -0.041 0.000 2.327 192 A HA 0.671 4.991 4.320 0.000 0.000 0.255 192 A C 0.533 178.058 177.584 -0.098 0.000 1.099 192 A CA 0.749 52.748 52.037 -0.063 0.000 0.801 192 A CB 0.239 19.187 19.000 -0.086 0.000 1.062 192 A HN 0.654 nan 8.150 nan 0.000 0.496 193 G N -1.739 106.958 108.800 -0.171 0.000 2.352 193 G HA2 0.437 4.397 3.960 0.000 0.000 0.283 193 G HA3 0.437 4.397 3.960 0.000 0.000 0.283 193 G C -1.858 172.916 174.900 -0.209 0.000 1.308 193 G CA -0.706 44.264 45.100 -0.217 0.000 0.892 193 G HN 0.837 nan 8.290 nan 0.000 0.504 194 Y N 0.318 120.661 120.300 0.071 0.000 2.512 194 Y HA 0.649 5.198 4.550 -0.000 0.000 0.348 194 Y C 0.129 176.083 175.900 0.090 0.000 0.990 194 Y CA -1.151 56.994 58.100 0.076 0.000 1.033 194 Y CB 2.252 40.793 38.460 0.135 0.000 1.259 194 Y HN 0.523 nan 8.280 nan 0.000 0.461 195 E N 2.970 123.318 120.200 0.246 0.000 2.151 195 E HA 0.567 4.917 4.350 0.000 0.000 0.275 195 E C -1.140 175.546 176.600 0.144 0.000 0.936 195 E CA -0.460 56.058 56.400 0.197 0.000 0.777 195 E CB 1.791 31.593 29.700 0.169 0.000 1.108 195 E HN 0.446 nan 8.360 nan 0.000 0.401 196 I N 2.521 123.184 120.570 0.155 0.000 2.410 196 I HA 0.410 4.580 4.170 0.000 0.000 0.286 196 I C -0.409 175.735 176.117 0.045 0.000 1.009 196 I CA -0.655 60.681 61.300 0.060 0.000 1.111 196 I CB 1.667 39.720 38.000 0.088 0.000 1.262 196 I HN 0.452 nan 8.210 nan 0.000 0.443 197 A N 8.199 131.058 122.820 0.065 0.000 2.317 197 A HA 0.978 5.298 4.320 0.000 0.000 0.327 197 A C -0.635 176.921 177.584 -0.047 0.000 1.178 197 A CA -0.468 51.594 52.037 0.042 0.000 0.817 197 A CB 1.324 20.387 19.000 0.105 0.000 1.189 197 A HN 0.782 nan 8.150 nan 0.000 0.489 198 L N -0.860 120.311 121.223 -0.087 0.000 2.600 198 L HA 0.768 5.108 4.340 0.000 0.000 0.257 198 L C -3.125 173.697 176.870 -0.080 0.000 1.048 198 L CA -2.664 52.101 54.840 -0.126 0.000 0.869 198 L CB 1.661 43.569 42.059 -0.250 0.000 1.482 198 L HN 0.287 nan 8.230 nan 0.000 0.408 199 P HA 0.124 nan 4.420 nan 0.000 0.265 199 P C -0.149 177.133 177.300 -0.029 0.000 1.187 199 P CA -0.004 63.070 63.100 -0.042 0.000 0.766 199 P CB 0.439 32.119 31.700 -0.033 0.000 0.820 200 N N 2.520 121.207 118.700 -0.022 0.000 2.094 200 N HA -0.186 4.554 4.740 0.000 0.000 0.191 200 N C 1.353 176.865 175.510 0.003 0.000 1.023 200 N CA 1.313 54.354 53.050 -0.015 0.000 0.857 200 N CB -0.390 38.093 38.487 -0.006 0.000 1.013 200 N HN 0.604 nan 8.380 nan 0.000 0.426 201 E N 0.476 120.681 120.200 0.008 0.000 2.478 201 E HA -0.089 4.262 4.350 0.000 0.000 0.198 201 E C 0.633 177.252 176.600 0.031 0.000 1.046 201 E CA 0.774 57.186 56.400 0.020 0.000 0.870 201 E CB 0.063 29.774 29.700 0.018 0.000 0.818 201 E HN 0.167 nan 8.360 nan 0.000 0.527 202 K N 0.221 120.638 120.400 0.027 0.000 2.354 202 K HA 0.303 4.623 4.320 0.000 0.000 0.194 202 K C 1.778 178.435 176.600 0.096 0.000 1.038 202 K CA 0.681 57.000 56.287 0.052 0.000 1.052 202 K CB 0.569 33.082 32.500 0.021 0.000 0.861 202 K HN 0.163 nan 8.250 nan 0.000 0.535 203 A N 1.679 124.543 122.820 0.073 0.000 1.898 203 A HA -0.038 4.282 4.320 0.000 0.000 0.216 203 A C 2.371 180.066 177.584 0.185 0.000 1.181 203 A CA 1.831 53.939 52.037 0.118 0.000 0.620 203 A CB -0.464 18.564 19.000 0.045 0.000 0.819 203 A HN 0.226 nan 8.150 nan 0.000 0.442 204 A N 0.264 123.148 122.820 0.107 0.000 1.873 204 A HA -0.248 4.073 4.320 0.000 0.000 0.218 204 A C 1.797 179.488 177.584 0.177 0.000 1.193 204 A CA 2.116 54.212 52.037 0.098 0.000 0.629 204 A CB -0.739 18.287 19.000 0.044 0.000 0.826 204 A HN 0.440 nan 8.150 nan 0.000 0.447 205 D N -1.596 118.902 120.400 0.164 0.000 2.178 205 D HA -0.089 4.552 4.640 0.000 0.000 0.201 205 D C 1.562 177.979 176.300 0.195 0.000 0.980 205 D CA 0.905 54.998 54.000 0.155 0.000 0.842 205 D CB -0.335 40.545 40.800 0.135 0.000 0.948 205 D HN 0.456 nan 8.370 nan 0.000 0.472 206 F N 0.185 120.201 119.950 0.110 0.000 2.146 206 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 206 F C 2.203 178.079 175.800 0.125 0.000 1.096 206 F CA 1.041 59.105 58.000 0.107 0.000 1.275 206 F CB -0.145 38.924 39.000 0.114 0.000 1.008 206 F HN 0.064 nan 8.300 nan 0.000 0.480 207 W N 2.136 123.510 121.300 0.122 0.000 2.335 207 W HA -0.266 4.394 4.660 0.001 0.000 0.311 207 W C 2.506 178.980 176.519 -0.074 0.000 1.213 207 W CA 2.248 59.603 57.345 0.017 0.000 1.274 207 W CB -0.661 28.800 29.460 0.002 0.000 1.148 207 W HN 0.078 nan 8.180 nan 0.000 0.498 208 R N 0.917 121.510 120.500 0.154 0.000 2.073 208 R HA -0.165 4.175 4.340 0.000 0.000 0.234 208 R C 2.320 178.549 176.300 -0.118 0.000 1.134 208 R CA 2.125 58.246 56.100 0.035 0.000 0.952 208 R CB -0.911 29.434 30.300 0.074 0.000 0.850 208 R HN 0.087 nan 8.270 nan 0.000 0.433 209 A N 1.425 124.150 122.820 -0.157 0.000 1.908 209 A HA -0.127 4.193 4.320 0.000 0.000 0.218 209 A C 2.304 179.692 177.584 -0.328 0.000 1.181 209 A CA 1.273 53.166 52.037 -0.241 0.000 0.627 209 A CB -0.523 18.295 19.000 -0.304 0.000 0.818 209 A HN 0.379 nan 8.150 nan 0.000 0.445 210 L N -0.721 120.244 121.223 -0.430 0.000 2.056 210 L HA -0.148 4.192 4.340 0.000 0.000 0.207 210 L C 2.533 179.163 176.870 -0.400 0.000 1.078 210 L CA 0.980 55.553 54.840 -0.444 0.000 0.749 210 L CB -0.414 41.353 42.059 -0.486 0.000 0.901 210 L HN 0.256 nan 8.230 nan 0.000 0.433 211 V N -0.212 119.443 119.914 -0.432 0.000 2.343 211 V HA -0.267 3.853 4.120 0.000 0.000 0.247 211 V C 2.269 178.218 176.094 -0.241 0.000 1.051 211 V CA 1.769 63.847 62.300 -0.370 0.000 1.036 211 V CB -0.448 31.188 31.823 -0.311 0.000 0.654 211 V HN 0.467 nan 8.190 nan 0.000 0.451 212 E N 0.332 120.410 120.200 -0.203 0.000 2.204 212 E HA -0.103 4.248 4.350 0.000 0.000 0.194 212 E C 2.063 178.570 176.600 -0.155 0.000 0.989 212 E CA 1.042 57.352 56.400 -0.149 0.000 0.824 212 E CB -0.252 29.377 29.700 -0.118 0.000 0.756 212 E HN 0.594 nan 8.360 nan 0.000 0.477 213 A N 0.342 123.044 122.820 -0.196 0.000 2.235 213 A HA 0.203 4.523 4.320 0.000 0.000 0.208 213 A C 1.645 179.126 177.584 -0.171 0.000 1.172 213 A CA 0.847 52.773 52.037 -0.185 0.000 0.786 213 A CB -0.308 18.559 19.000 -0.222 0.000 0.804 213 A HN 0.331 nan 8.150 nan 0.000 0.479 214 G N -1.877 106.817 108.800 -0.176 0.000 2.144 214 G HA2 -0.163 3.797 3.960 0.000 0.000 0.218 214 G HA3 -0.163 3.797 3.960 0.000 0.000 0.218 214 G C 0.026 174.818 174.900 -0.180 0.000 0.988 214 G CA -0.030 44.976 45.100 -0.156 0.000 0.659 214 G HN 0.771 nan 8.290 nan 0.000 0.522 215 V N 1.117 120.890 119.914 -0.235 0.000 2.432 215 V HA 0.401 4.521 4.120 0.000 0.000 0.271 215 V C 0.897 176.800 176.094 -0.319 0.000 1.046 215 V CA -0.361 61.777 62.300 -0.269 0.000 0.945 215 V CB 1.501 33.137 31.823 -0.312 0.000 0.992 215 V HN 0.408 nan 8.190 nan 0.000 0.471 216 K N 6.978 127.213 120.400 -0.276 0.000 2.339 216 K HA 0.265 4.585 4.320 0.000 0.000 0.286 216 K C -2.504 173.843 176.600 -0.422 0.000 1.050 216 K CA -1.556 54.556 56.287 -0.291 0.000 0.956 216 K CB 0.747 33.134 32.500 -0.188 0.000 0.990 216 K HN 0.363 nan 8.250 nan 0.000 0.475 217 P HA -0.023 nan 4.420 nan 0.000 0.263 217 P C -1.025 175.927 177.300 -0.580 0.000 1.195 217 P CA -0.242 62.428 63.100 -0.715 0.000 0.762 217 P CB 0.471 31.478 31.700 -1.155 0.000 0.799 218 C N 3.682 122.732 119.300 -0.416 0.000 2.507 218 C HA 0.797 5.257 4.460 0.000 0.000 0.319 218 C C 1.057 176.125 174.990 0.131 0.000 1.208 218 C CA -0.255 58.614 59.018 -0.248 0.000 1.619 218 C CB 1.627 28.864 27.740 -0.838 0.000 2.230 218 C HN 0.660 nan 8.230 nan 0.000 0.492 219 G N 0.729 109.754 108.800 0.375 0.000 2.795 219 G HA2 0.537 4.497 3.960 0.000 0.000 0.267 219 G HA3 0.537 4.497 3.960 0.000 0.000 0.267 219 G C 0.611 175.723 174.900 0.353 0.000 1.362 219 G CA -0.617 44.679 45.100 0.326 0.000 1.048 219 G HN 0.731 nan 8.290 nan 0.000 0.547 220 L N 0.310 121.623 121.223 0.150 0.000 2.201 220 L HA 0.024 4.364 4.340 0.000 0.000 0.212 220 L C 3.041 179.981 176.870 0.117 0.000 1.105 220 L CA 1.095 55.971 54.840 0.060 0.000 0.775 220 L CB -0.537 41.434 42.059 -0.148 0.000 0.913 220 L HN 0.677 nan 8.230 nan 0.000 0.440 221 G N 0.093 108.984 108.800 0.153 0.000 2.480 221 G HA2 -0.288 3.672 3.960 0.000 0.000 0.216 221 G HA3 -0.288 3.672 3.960 0.000 0.000 0.216 221 G C 1.763 176.785 174.900 0.203 0.000 1.200 221 G CA 0.869 46.068 45.100 0.165 0.000 0.782 221 G HN 0.452 nan 8.290 nan 0.000 0.554 222 A N 0.409 123.398 122.820 0.281 0.000 1.969 222 A HA 0.024 4.344 4.320 0.000 0.000 0.218 222 A C 2.311 180.086 177.584 0.319 0.000 1.169 222 A CA 1.829 54.076 52.037 0.349 0.000 0.635 222 A CB -0.439 18.801 19.000 0.399 0.000 0.810 222 A HN 0.392 nan 8.150 nan 0.000 0.445 223 R N -0.190 120.496 120.500 0.311 0.000 2.091 223 R HA -0.222 4.118 4.340 0.000 0.000 0.238 223 R C 1.856 178.143 176.300 -0.023 0.000 1.136 223 R CA 2.105 58.193 56.100 -0.020 0.000 0.959 223 R CB -0.407 29.849 30.300 -0.072 0.000 0.856 223 R HN 0.534 nan 8.270 nan 0.000 0.437 224 D N -0.867 119.569 120.400 0.059 0.000 2.084 224 D HA -0.139 4.501 4.640 0.000 0.000 0.196 224 D C 1.830 178.147 176.300 0.029 0.000 0.985 224 D CA 2.262 56.286 54.000 0.041 0.000 0.826 224 D CB -0.078 40.772 40.800 0.084 0.000 0.978 224 D HN 0.420 nan 8.370 nan 0.000 0.456 225 T N -1.265 113.353 114.554 0.107 0.000 2.720 225 T HA -0.161 4.189 4.350 0.000 0.000 0.268 225 T C 2.264 177.074 174.700 0.185 0.000 1.037 225 T CA 1.130 63.313 62.100 0.139 0.000 1.144 225 T CB -0.714 68.251 68.868 0.163 0.000 0.864 225 T HN 0.151 nan 8.240 nan 0.000 0.444 226 L N 1.387 122.697 121.223 0.145 0.000 2.027 226 L HA -0.003 4.337 4.340 0.000 0.000 0.206 226 L C 3.074 179.867 176.870 -0.129 0.000 1.074 226 L CA 1.682 56.498 54.840 -0.039 0.000 0.745 226 L CB -0.481 41.486 42.059 -0.153 0.000 0.898 226 L HN 0.330 nan 8.230 nan 0.000 0.433 227 R N 0.154 120.485 120.500 -0.281 0.000 2.096 227 R HA -0.172 4.168 4.340 0.000 0.000 0.235 227 R C 2.016 178.170 176.300 -0.244 0.000 1.127 227 R CA 1.404 57.197 56.100 -0.512 0.000 0.968 227 R CB -1.170 28.354 30.300 -1.293 0.000 0.861 227 R HN 0.163 nan 8.270 nan 0.000 0.440 228 L N 1.287 122.436 121.223 -0.123 0.000 2.027 228 L HA -0.007 4.333 4.340 0.000 0.000 0.206 228 L C 1.930 178.853 176.870 0.087 0.000 1.074 228 L CA 1.812 56.645 54.840 -0.012 0.000 0.745 228 L CB -0.780 41.262 42.059 -0.029 0.000 0.898 228 L HN 0.334 nan 8.230 nan 0.000 0.433 229 E N -0.351 119.872 120.200 0.040 0.000 2.114 229 E HA -0.280 4.070 4.350 0.000 0.000 0.199 229 E C 1.869 178.602 176.600 0.222 0.000 1.008 229 E CA 1.445 57.928 56.400 0.137 0.000 0.810 229 E CB -0.289 29.471 29.700 0.101 0.000 0.739 229 E HN 0.627 nan 8.360 nan 0.000 0.456 230 A N 0.019 122.883 122.820 0.072 0.000 2.235 230 A HA 0.198 4.518 4.320 0.000 0.000 0.208 230 A C 1.630 179.221 177.584 0.011 0.000 1.172 230 A CA 0.869 52.914 52.037 0.012 0.000 0.786 230 A CB -0.277 18.689 19.000 -0.057 0.000 0.804 230 A HN 0.351 nan 8.150 nan 0.000 0.479 231 G N -1.084 107.768 108.800 0.086 0.000 2.176 231 G HA2 -0.266 3.694 3.960 0.000 0.000 0.252 231 G HA3 -0.266 3.694 3.960 0.000 0.000 0.252 231 G C 0.049 174.978 174.900 0.049 0.000 1.024 231 G CA 0.588 45.732 45.100 0.075 0.000 0.755 231 G HN 0.451 nan 8.290 nan 0.000 0.507 232 M N 0.229 119.835 119.600 0.011 0.000 2.318 232 M HA 0.354 4.834 4.480 0.000 0.000 0.347 232 M C 0.281 176.653 176.300 0.120 0.000 1.175 232 M CA -0.869 54.455 55.300 0.041 0.000 1.075 232 M CB 0.862 33.440 32.600 -0.036 0.000 1.614 232 M HN 0.060 nan 8.290 nan 0.000 0.456 233 N N 2.015 120.859 118.700 0.239 0.000 2.503 233 N HA 0.410 5.150 4.740 0.000 0.000 0.267 233 N C -1.282 174.436 175.510 0.348 0.000 1.214 233 N CA -0.377 52.830 53.050 0.262 0.000 0.959 233 N CB 0.862 39.519 38.487 0.283 0.000 1.142 233 N HN 0.405 nan 8.380 nan 0.000 0.455 234 L N 2.859 124.249 121.223 0.278 0.000 2.342 234 L HA 0.337 4.677 4.340 0.000 0.000 0.276 234 L C -1.070 175.935 176.870 0.225 0.000 0.997 234 L CA -0.896 54.132 54.840 0.313 0.000 0.838 234 L CB 0.356 42.586 42.059 0.286 0.000 1.224 234 L HN 0.440 nan 8.230 nan 0.000 0.416 235 Y N 5.719 126.105 120.300 0.143 0.000 2.810 235 Y HA 0.338 4.888 4.550 0.000 0.000 0.332 235 Y C 1.450 177.396 175.900 0.076 0.000 1.243 235 Y CA 1.787 59.936 58.100 0.081 0.000 1.537 235 Y CB 0.665 39.145 38.460 0.034 0.000 1.265 235 Y HN 0.953 nan 8.280 nan 0.000 0.572 236 G N 3.483 111.865 108.800 -0.697 0.000 2.254 236 G HA2 -0.277 3.683 3.960 0.000 0.000 0.225 236 G HA3 -0.277 3.683 3.960 0.000 0.000 0.225 236 G C 0.804 175.605 174.900 -0.165 0.000 1.003 236 G CA 0.606 45.484 45.100 -0.369 0.000 0.622 236 G HN 0.604 nan 8.290 nan 0.000 0.507 237 Q N -0.793 118.955 119.800 -0.087 0.000 2.622 237 Q HA 0.256 4.596 4.340 0.000 0.000 0.208 237 Q C 2.035 178.026 176.000 -0.014 0.000 0.911 237 Q CA 0.746 56.543 55.803 -0.010 0.000 0.893 237 Q CB 0.085 28.858 28.738 0.059 0.000 1.124 237 Q HN 0.303 nan 8.270 nan 0.000 0.634 238 E N 0.333 120.542 120.200 0.015 0.000 2.347 238 E HA -0.012 4.338 4.350 0.000 0.000 0.196 238 E C 0.468 177.063 176.600 -0.008 0.000 1.008 238 E CA 0.694 57.115 56.400 0.034 0.000 0.852 238 E CB 0.368 30.123 29.700 0.092 0.000 0.783 238 E HN 0.243 nan 8.360 nan 0.000 0.505 239 M N -0.541 118.999 119.600 -0.100 0.000 2.603 239 M HA 0.510 4.990 4.480 0.000 0.000 0.275 239 M C -1.868 174.175 176.300 -0.427 0.000 1.226 239 M CA -0.841 54.369 55.300 -0.151 0.000 0.870 239 M CB 2.059 34.635 32.600 -0.040 0.000 1.716 239 M HN -0.084 nan 8.290 nan 0.000 0.482 240 D N -0.304 119.899 120.400 -0.329 0.000 2.970 240 D HA 0.284 4.924 4.640 0.000 0.000 0.344 240 D C -0.035 176.226 176.300 -0.066 0.000 1.365 240 D CA -0.363 53.386 54.000 -0.419 0.000 0.910 240 D CB 0.424 41.006 40.800 -0.364 0.000 1.445 240 D HN 0.641 nan 8.370 nan 0.000 0.532 241 E N -0.818 119.394 120.200 0.021 0.000 2.331 241 E HA -0.122 4.228 4.350 0.000 0.000 0.199 241 E C 1.214 177.807 176.600 -0.012 0.000 1.008 241 E CA 1.883 58.289 56.400 0.010 0.000 0.843 241 E CB -0.254 29.447 29.700 0.002 0.000 0.761 241 E HN 0.644 nan 8.360 nan 0.000 0.507 242 T N -1.648 112.895 114.554 -0.018 0.000 3.086 242 T HA 0.126 4.476 4.350 0.000 0.000 0.250 242 T C 0.688 175.385 174.700 -0.005 0.000 1.074 242 T CA -0.203 61.892 62.100 -0.009 0.000 0.988 242 T CB 0.178 69.042 68.868 -0.007 0.000 0.988 242 T HN -0.161 nan 8.240 nan 0.000 0.530 243 I N 2.324 122.885 120.570 -0.015 0.000 2.378 243 I HA 0.432 4.602 4.170 0.000 0.000 0.291 243 I C 0.460 176.580 176.117 0.006 0.000 0.992 243 I CA -1.223 60.074 61.300 -0.005 0.000 1.154 243 I CB 1.224 39.210 38.000 -0.024 0.000 1.315 243 I HN 0.168 nan 8.210 nan 0.000 0.448 244 S N 8.375 124.088 115.700 0.023 0.000 2.572 244 S HA 0.238 4.708 4.470 0.000 0.000 0.279 244 S C -1.193 173.422 174.600 0.025 0.000 1.341 244 S CA -0.759 57.460 58.200 0.031 0.000 1.043 244 S CB 0.773 64.007 63.200 0.057 0.000 0.887 244 S HN 0.476 nan 8.310 nan 0.000 0.516 245 P HA -0.098 nan 4.420 nan 0.000 0.218 245 P C 1.418 178.737 177.300 0.032 0.000 1.148 245 P CA 1.166 64.261 63.100 -0.009 0.000 0.822 245 P CB -0.116 31.537 31.700 -0.078 0.000 0.784 246 L N -0.871 120.390 121.223 0.064 0.000 2.275 246 L HA -0.061 4.280 4.340 0.000 0.000 0.215 246 L C 2.337 179.258 176.870 0.085 0.000 1.119 246 L CA 1.294 56.193 54.840 0.098 0.000 0.790 246 L CB -0.977 41.160 42.059 0.131 0.000 0.919 246 L HN -0.056 nan 8.230 nan 0.000 0.443 247 A N -0.467 122.394 122.820 0.069 0.000 2.307 247 A HA 0.461 4.781 4.320 0.000 0.000 0.218 247 A C 1.597 179.218 177.584 0.062 0.000 1.228 247 A CA 0.706 52.780 52.037 0.062 0.000 0.857 247 A CB -0.166 18.865 19.000 0.052 0.000 0.897 247 A HN 0.284 nan 8.150 nan 0.000 0.495 248 A N -0.473 122.389 122.820 0.070 0.000 2.616 248 A HA 0.450 4.770 4.320 0.000 0.000 0.294 248 A C 0.554 178.213 177.584 0.125 0.000 1.091 248 A CA 0.153 52.240 52.037 0.084 0.000 0.971 248 A CB -0.504 18.537 19.000 0.068 0.000 1.222 248 A HN 0.509 nan 8.150 nan 0.000 0.521 249 N N -0.704 118.078 118.700 0.137 0.000 2.735 249 N HA -0.190 4.550 4.740 0.000 0.000 0.248 249 N C 0.305 176.000 175.510 0.308 0.000 1.083 249 N CA 1.622 54.799 53.050 0.212 0.000 0.703 249 N CB -1.559 37.044 38.487 0.193 0.000 1.005 249 N HN 0.613 nan 8.380 nan 0.000 0.550 250 M N -1.936 117.749 119.600 0.142 0.000 2.347 250 M HA 0.267 4.747 4.480 0.000 0.000 0.302 250 M C 1.930 178.133 176.300 -0.162 0.000 1.051 250 M CA 0.361 55.615 55.300 -0.076 0.000 0.988 250 M CB 0.465 32.996 32.600 -0.115 0.000 1.475 250 M HN 0.270 nan 8.290 nan 0.000 0.530 251 G N 1.648 110.488 108.800 0.067 0.000 2.469 251 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 251 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 251 G C 1.199 176.151 174.900 0.087 0.000 1.136 251 G CA 0.776 45.944 45.100 0.113 0.000 0.759 251 G HN 0.793 nan 8.290 nan 0.000 0.562 252 W N 1.883 123.204 121.300 0.034 0.000 2.611 252 W HA 0.018 4.678 4.660 -0.000 0.000 0.251 252 W C 1.432 177.931 176.519 -0.034 0.000 1.265 252 W CA 1.521 58.874 57.345 0.013 0.000 1.295 252 W CB -1.181 28.283 29.460 0.007 0.000 1.129 252 W HN 0.299 nan 8.180 nan 0.000 0.630 253 T N -1.388 112.701 114.554 -0.775 0.000 3.060 253 T HA 0.172 4.522 4.350 0.000 0.000 0.249 253 T C 0.843 175.200 174.700 -0.572 0.000 1.079 253 T CA -0.187 61.423 62.100 -0.817 0.000 1.013 253 T CB -0.400 67.837 68.868 -1.053 0.000 0.975 253 T HN -0.107 nan 8.240 nan 0.000 0.518 254 I N 2.849 123.123 120.570 -0.494 0.000 2.436 254 I HA 0.387 4.557 4.170 0.000 0.000 0.289 254 I C 0.688 176.456 176.117 -0.583 0.000 1.083 254 I CA -0.905 59.994 61.300 -0.668 0.000 1.372 254 I CB -0.472 37.014 38.000 -0.857 0.000 1.408 254 I HN 0.254 nan 8.210 nan 0.000 0.516 255 A N 6.945 129.440 122.820 -0.542 0.000 2.807 255 A HA 0.235 4.555 4.320 0.000 0.000 0.307 255 A C 0.706 178.191 177.584 -0.165 0.000 1.532 255 A CA -0.595 51.271 52.037 -0.284 0.000 1.215 255 A CB -0.367 18.488 19.000 -0.241 0.000 1.127 255 A HN 0.822 nan 8.150 nan 0.000 0.543 256 W N 0.976 122.296 121.300 0.033 0.000 2.358 256 W HA -0.052 4.608 4.660 -0.000 0.000 0.303 256 W C 0.723 177.280 176.519 0.064 0.000 1.208 256 W CA 0.594 57.990 57.345 0.086 0.000 1.274 256 W CB 0.228 29.721 29.460 0.055 0.000 1.138 256 W HN 0.442 nan 8.180 nan 0.000 0.515 257 E N 1.434 121.780 120.200 0.244 0.000 2.227 257 E HA 0.174 4.525 4.350 0.000 0.000 0.282 257 E C -1.978 174.670 176.600 0.079 0.000 1.015 257 E CA -2.193 54.291 56.400 0.141 0.000 0.823 257 E CB 0.174 29.939 29.700 0.109 0.000 1.081 257 E HN -0.066 nan 8.360 nan 0.000 0.396 258 P HA 0.148 nan 4.420 nan 0.000 0.280 258 P C 0.117 177.479 177.300 0.103 0.000 1.244 258 P CA -0.199 62.946 63.100 0.073 0.000 0.784 258 P CB 1.260 32.989 31.700 0.049 0.000 0.913 259 A N 3.234 126.115 122.820 0.103 0.000 2.070 259 A HA -0.179 4.141 4.320 0.000 0.000 0.220 259 A C 1.407 179.042 177.584 0.085 0.000 1.159 259 A CA 1.698 53.803 52.037 0.112 0.000 0.656 259 A CB -0.973 18.076 19.000 0.082 0.000 0.800 259 A HN 0.643 nan 8.150 nan 0.000 0.453 260 D N -0.957 119.484 120.400 0.068 0.000 2.336 260 D HA -0.044 4.596 4.640 0.000 0.000 0.229 260 D C 0.761 177.102 176.300 0.068 0.000 1.061 260 D CA -0.058 53.976 54.000 0.056 0.000 0.875 260 D CB -0.437 40.389 40.800 0.043 0.000 0.904 260 D HN 0.383 nan 8.370 nan 0.000 0.525 261 R N 0.998 121.553 120.500 0.092 0.000 2.205 261 R HA 0.179 4.519 4.340 0.000 0.000 0.342 261 R C -0.970 175.416 176.300 0.143 0.000 1.058 261 R CA -0.596 55.575 56.100 0.118 0.000 0.904 261 R CB 0.340 30.712 30.300 0.120 0.000 1.089 261 R HN -0.088 nan 8.270 nan 0.000 0.471 262 D N 4.101 124.575 120.400 0.123 0.000 2.264 262 D HA 0.232 4.872 4.640 0.000 0.000 0.249 262 D C -0.994 175.415 176.300 0.182 0.000 1.070 262 D CA -0.023 54.014 54.000 0.062 0.000 0.912 262 D CB 0.557 41.414 40.800 0.096 0.000 1.193 262 D HN 0.345 nan 8.370 nan 0.000 0.427 263 F N 0.457 120.398 119.950 -0.014 0.000 2.631 263 F HA 0.501 5.028 4.527 0.000 0.000 0.308 263 F C -0.575 175.054 175.800 -0.285 0.000 1.097 263 F CA -1.438 56.434 58.000 -0.214 0.000 0.952 263 F CB 0.366 39.212 39.000 -0.256 0.000 1.307 263 F HN 0.131 nan 8.300 nan 0.000 0.450 264 I N 2.578 122.954 120.570 -0.322 0.000 2.752 264 I HA 0.276 4.446 4.170 0.000 0.000 0.289 264 I C 1.335 177.438 176.117 -0.024 0.000 1.197 264 I CA 1.442 62.619 61.300 -0.205 0.000 1.432 264 I CB 0.054 37.930 38.000 -0.206 0.000 1.359 264 I HN 1.140 nan 8.210 nan 0.000 0.571 265 G N 4.839 113.607 108.800 -0.054 0.000 2.205 265 G HA2 -0.346 3.614 3.960 0.000 0.000 0.261 265 G HA3 -0.346 3.614 3.960 0.000 0.000 0.261 265 G C 1.311 176.116 174.900 -0.159 0.000 0.980 265 G CA 0.575 45.650 45.100 -0.043 0.000 0.632 265 G HN 0.724 nan 8.290 nan 0.000 0.533 266 R N 0.775 120.965 120.500 -0.516 0.000 2.091 266 R HA -0.064 4.276 4.340 0.000 0.000 0.238 266 R C 2.244 178.375 176.300 -0.281 0.000 1.136 266 R CA 2.072 57.668 56.100 -0.840 0.000 0.959 266 R CB -0.394 28.967 30.300 -1.565 0.000 0.856 266 R HN 0.617 nan 8.270 nan 0.000 0.437 267 E N -0.296 119.788 120.200 -0.193 0.000 2.051 267 E HA -0.214 4.136 4.350 0.000 0.000 0.192 267 E C 1.807 178.394 176.600 -0.021 0.000 0.991 267 E CA 1.299 57.655 56.400 -0.073 0.000 0.799 267 E CB -0.139 29.531 29.700 -0.049 0.000 0.748 267 E HN 0.494 nan 8.360 nan 0.000 0.449 268 A N 0.821 123.634 122.820 -0.012 0.000 1.902 268 A HA -0.179 4.141 4.320 0.000 0.000 0.217 268 A C 2.112 179.726 177.584 0.050 0.000 1.181 268 A CA 1.204 53.253 52.037 0.021 0.000 0.623 268 A CB -0.594 18.421 19.000 0.025 0.000 0.818 268 A HN 0.355 nan 8.150 nan 0.000 0.443 269 L N -0.343 120.922 121.223 0.070 0.000 2.141 269 L HA -0.094 4.246 4.340 0.000 0.000 0.209 269 L C 2.296 179.326 176.870 0.266 0.000 1.094 269 L CA 2.385 57.331 54.840 0.175 0.000 0.763 269 L CB -0.452 41.722 42.059 0.191 0.000 0.908 269 L HN 0.544 nan 8.230 nan 0.000 0.437 270 E N -0.903 119.425 120.200 0.213 0.000 2.051 270 E HA -0.174 4.176 4.350 0.000 0.000 0.192 270 E C 2.099 178.672 176.600 -0.045 0.000 0.991 270 E CA 1.818 58.272 56.400 0.089 0.000 0.799 270 E CB -0.357 29.375 29.700 0.053 0.000 0.748 270 E HN 0.265 nan 8.360 nan 0.000 0.449 271 V N 1.110 120.993 119.914 -0.051 0.000 2.231 271 V HA -0.339 3.781 4.120 0.000 0.000 0.248 271 V C 2.564 178.544 176.094 -0.191 0.000 1.054 271 V CA 2.268 64.477 62.300 -0.152 0.000 1.015 271 V CB -0.782 30.997 31.823 -0.073 0.000 0.638 271 V HN 0.379 nan 8.190 nan 0.000 0.444 272 Q N 0.008 119.801 119.800 -0.011 0.000 2.096 272 Q HA -0.278 4.062 4.340 0.000 0.000 0.208 272 Q C 2.443 178.468 176.000 0.043 0.000 0.993 272 Q CA 2.471 58.314 55.803 0.067 0.000 0.862 272 Q CB -0.583 28.220 28.738 0.107 0.000 0.915 272 Q HN 0.782 nan 8.270 nan 0.000 0.416 273 R N 0.601 121.115 120.500 0.024 0.000 2.148 273 R HA -0.095 4.245 4.340 0.000 0.000 0.227 273 R C 1.533 177.792 176.300 -0.068 0.000 1.103 273 R CA 1.390 57.486 56.100 -0.007 0.000 0.983 273 R CB -0.189 30.074 30.300 -0.062 0.000 0.874 273 R HN 0.281 nan 8.270 nan 0.000 0.451 274 E N 0.130 120.248 120.200 -0.137 0.000 2.106 274 E HA -0.137 4.213 4.350 0.000 0.000 0.192 274 E C 1.563 178.107 176.600 -0.093 0.000 0.984 274 E CA 0.871 57.173 56.400 -0.163 0.000 0.806 274 E CB -0.064 29.494 29.700 -0.237 0.000 0.750 274 E HN 0.531 nan 8.360 nan 0.000 0.458 275 H N -0.100 118.967 119.070 -0.005 0.000 2.555 275 H HA 0.130 4.686 4.556 0.000 0.000 0.269 275 H C 1.073 176.404 175.328 0.005 0.000 0.988 275 H CA 0.838 56.888 56.048 0.002 0.000 1.178 275 H CB -0.325 29.443 29.762 0.011 0.000 1.373 275 H HN 0.189 nan 8.280 nan 0.000 0.588 276 G N 0.923 109.785 108.800 0.102 0.000 2.916 276 G HA2 -0.199 3.762 3.960 0.000 0.000 0.533 276 G HA3 -0.199 3.762 3.960 0.000 0.000 0.533 276 G C 0.099 175.051 174.900 0.087 0.000 1.516 276 G CA 0.252 45.396 45.100 0.073 0.000 0.944 276 G HN 0.659 nan 8.290 nan 0.000 0.555 277 T N -1.829 112.765 114.554 0.067 0.000 2.883 277 T HA 0.690 5.040 4.350 0.000 0.000 0.301 277 T C 0.114 174.845 174.700 0.053 0.000 1.158 277 T CA 0.027 62.167 62.100 0.066 0.000 1.007 277 T CB 2.059 70.971 68.868 0.074 0.000 1.186 277 T HN 0.892 nan 8.240 nan 0.000 0.499 278 E N 0.956 121.186 120.200 0.051 0.000 2.478 278 E HA 0.221 4.572 4.350 0.000 0.000 0.262 278 E C -0.031 176.599 176.600 0.049 0.000 1.243 278 E CA 0.034 56.464 56.400 0.050 0.000 1.039 278 E CB 0.316 30.048 29.700 0.054 0.000 0.983 278 E HN 0.719 nan 8.360 nan 0.000 0.479 279 K N -0.073 120.354 120.400 0.045 0.000 2.502 279 K HA 0.479 4.799 4.320 0.000 0.000 0.257 279 K C -1.562 175.064 176.600 0.044 0.000 0.938 279 K CA -0.900 55.413 56.287 0.043 0.000 0.819 279 K CB 1.080 33.597 32.500 0.029 0.000 1.333 279 K HN 0.246 nan 8.250 nan 0.000 0.434 280 L N 3.109 124.364 121.223 0.053 0.000 2.276 280 L HA 0.440 4.780 4.340 0.000 0.000 0.286 280 L C -0.707 176.187 176.870 0.040 0.000 1.061 280 L CA -0.184 54.691 54.840 0.057 0.000 0.807 280 L CB 1.476 43.581 42.059 0.076 0.000 1.177 280 L HN 0.626 nan 8.230 nan 0.000 0.429 281 V N 1.948 121.884 119.914 0.037 0.000 3.126 281 V HA 0.976 5.096 4.120 0.000 0.000 0.314 281 V C 0.240 176.363 176.094 0.049 0.000 1.138 281 V CA -0.364 61.943 62.300 0.012 0.000 1.034 281 V CB 1.254 33.072 31.823 -0.008 0.000 1.075 281 V HN 0.818 nan 8.190 nan 0.000 0.442 282 G N 0.803 109.612 108.800 0.016 0.000 2.425 282 G HA2 0.649 4.609 3.960 0.000 0.000 0.302 282 G HA3 0.649 4.609 3.960 0.000 0.000 0.302 282 G C -0.983 174.036 174.900 0.199 0.000 1.159 282 G CA -0.807 44.389 45.100 0.160 0.000 0.865 282 G HN 0.810 nan 8.290 nan 0.000 0.515 283 L N 0.836 122.246 121.223 0.312 0.000 2.365 283 L HA 0.526 4.866 4.340 0.000 0.000 0.273 283 L C -0.667 176.336 176.870 0.222 0.000 1.000 283 L CA -1.082 53.871 54.840 0.189 0.000 0.819 283 L CB 2.421 44.548 42.059 0.114 0.000 1.284 283 L HN 0.168 nan 8.230 nan 0.000 0.418 284 V N 3.772 123.777 119.914 0.152 0.000 2.487 284 V HA 0.428 4.548 4.120 0.000 0.000 0.298 284 V C -0.228 175.867 176.094 0.001 0.000 1.028 284 V CA -0.330 62.036 62.300 0.110 0.000 0.860 284 V CB 1.964 33.860 31.823 0.121 0.000 0.991 284 V HN 0.751 nan 8.190 nan 0.000 0.427 285 M N 4.546 124.140 119.600 -0.010 0.000 2.006 285 M HA 0.234 4.714 4.480 0.000 0.000 0.314 285 M C 1.134 177.364 176.300 -0.117 0.000 0.926 285 M CA -0.412 54.863 55.300 -0.042 0.000 0.906 285 M CB 1.464 34.073 32.600 0.015 0.000 1.422 285 M HN 0.900 nan 8.290 nan 0.000 0.397 286 T N 0.179 114.567 114.554 -0.275 0.000 2.904 286 T HA 0.036 4.386 4.350 0.000 0.000 0.267 286 T C 0.390 175.021 174.700 -0.115 0.000 1.059 286 T CA 0.598 62.466 62.100 -0.386 0.000 1.137 286 T CB -0.320 68.287 68.868 -0.435 0.000 0.879 286 T HN 0.619 nan 8.240 nan 0.000 0.467 287 E N 1.863 122.028 120.200 -0.059 0.000 2.436 287 E HA 0.319 4.669 4.350 0.000 0.000 0.262 287 E C -0.057 176.571 176.600 0.047 0.000 1.063 287 E CA -0.043 56.357 56.400 -0.000 0.000 0.944 287 E CB 0.291 29.994 29.700 0.004 0.000 0.950 287 E HN 0.409 nan 8.360 nan 0.000 0.444 288 K N 1.016 121.455 120.400 0.065 0.000 2.319 288 K HA 0.460 4.780 4.320 0.000 0.000 0.265 288 K C 0.405 177.060 176.600 0.092 0.000 1.000 288 K CA 0.803 57.151 56.287 0.101 0.000 0.943 288 K CB 0.501 33.049 32.500 0.081 0.000 0.950 288 K HN 0.719 nan 8.250 nan 0.000 0.485 289 G N -0.801 108.070 108.800 0.119 0.000 2.462 289 G HA2 -0.010 3.950 3.960 0.000 0.000 0.685 289 G HA3 -0.010 3.950 3.960 0.000 0.000 0.685 289 G C -1.642 173.350 174.900 0.154 0.000 1.295 289 G CA -0.990 44.170 45.100 0.101 0.000 0.941 289 G HN 0.438 nan 8.290 nan 0.000 0.554 290 V N 0.798 120.780 119.914 0.114 0.000 2.482 290 V HA 0.524 4.644 4.120 0.000 0.000 0.295 290 V C 0.652 176.795 176.094 0.082 0.000 1.026 290 V CA -0.688 61.690 62.300 0.130 0.000 0.856 290 V CB 1.327 33.216 31.823 0.110 0.000 1.001 290 V HN 0.774 nan 8.190 nan 0.000 0.424 291 L N 5.567 126.832 121.223 0.071 0.000 2.456 291 L HA 0.487 4.828 4.340 0.000 0.000 0.272 291 L C 0.433 177.332 176.870 0.048 0.000 1.189 291 L CA 0.016 54.887 54.840 0.050 0.000 0.846 291 L CB 0.250 42.331 42.059 0.037 0.000 1.111 291 L HN 0.525 nan 8.230 nan 0.000 0.475 292 R N 1.317 121.844 120.500 0.045 0.000 2.854 292 R HA 0.379 4.719 4.340 0.000 0.000 0.271 292 R C -0.770 175.557 176.300 0.045 0.000 0.994 292 R CA -1.384 54.743 56.100 0.045 0.000 0.945 292 R CB 0.874 31.199 30.300 0.042 0.000 1.194 292 R HN 0.460 nan 8.270 nan 0.000 0.476 293 N N 2.163 120.892 118.700 0.047 0.000 2.294 293 N HA -0.081 4.659 4.740 0.000 0.000 0.248 293 N C 0.194 175.730 175.510 0.043 0.000 1.242 293 N CA 0.783 53.862 53.050 0.048 0.000 0.848 293 N CB 0.151 38.670 38.487 0.053 0.000 1.084 293 N HN 0.576 nan 8.380 nan 0.000 0.457 294 E N -2.378 117.848 120.200 0.043 0.000 3.916 294 E HA -0.245 4.105 4.350 0.000 0.000 0.331 294 E C -0.623 176.001 176.600 0.038 0.000 0.729 294 E CA 0.319 56.742 56.400 0.038 0.000 1.222 294 E CB -1.020 28.700 29.700 0.033 0.000 1.633 294 E HN 0.251 nan 8.360 nan 0.000 0.437 295 L N 1.537 122.785 121.223 0.042 0.000 2.456 295 L HA 0.189 4.529 4.340 0.000 0.000 0.272 295 L C -1.867 175.031 176.870 0.048 0.000 1.189 295 L CA -1.046 53.819 54.840 0.042 0.000 0.846 295 L CB -0.398 41.687 42.059 0.043 0.000 1.111 295 L HN -0.174 nan 8.230 nan 0.000 0.475 296 P HA 0.177 nan 4.420 nan 0.000 0.275 296 P C -1.089 176.251 177.300 0.066 0.000 1.228 296 P CA -0.252 62.880 63.100 0.052 0.000 0.786 296 P CB 0.784 32.508 31.700 0.040 0.000 0.927 297 V N 4.325 124.292 119.914 0.089 0.000 2.376 297 V HA 0.402 4.522 4.120 0.000 0.000 0.287 297 V C 0.277 176.474 176.094 0.172 0.000 1.015 297 V CA -0.464 61.908 62.300 0.121 0.000 0.834 297 V CB 0.865 32.765 31.823 0.128 0.000 1.001 297 V HN 0.455 nan 8.190 nan 0.000 0.428 298 R N 4.574 125.169 120.500 0.159 0.000 2.589 298 R HA 0.863 5.203 4.340 0.000 0.000 0.293 298 R C -1.074 175.377 176.300 0.250 0.000 0.963 298 R CA -0.513 55.671 56.100 0.140 0.000 0.905 298 R CB 2.315 32.644 30.300 0.049 0.000 1.144 298 R HN 0.704 nan 8.270 nan 0.000 0.459 299 F N -2.252 117.737 119.950 0.065 0.000 2.668 299 F HA 0.535 5.062 4.527 0.000 0.000 0.309 299 F C -1.244 174.608 175.800 0.086 0.000 1.117 299 F CA -0.944 57.098 58.000 0.069 0.000 0.951 299 F CB 1.725 40.769 39.000 0.074 0.000 1.323 299 F HN 0.200 nan 8.300 nan 0.000 0.451 300 T N 1.947 116.580 114.554 0.133 0.000 2.797 300 T HA 0.429 4.779 4.350 0.000 0.000 0.279 300 T C -0.787 174.038 174.700 0.208 0.000 0.991 300 T CA -0.556 61.564 62.100 0.033 0.000 0.979 300 T CB 1.177 70.055 68.868 0.016 0.000 0.943 300 T HN 0.764 nan 8.240 nan 0.000 0.444 301 D N 1.932 122.456 120.400 0.206 0.000 2.414 301 D HA 0.419 5.059 4.640 0.000 0.000 0.251 301 D C 1.507 177.893 176.300 0.144 0.000 1.252 301 D CA -0.642 53.517 54.000 0.265 0.000 0.999 301 D CB 0.302 41.294 40.800 0.319 0.000 1.093 301 D HN 0.409 nan 8.370 nan 0.000 0.515 302 A N -0.595 122.299 122.820 0.122 0.000 2.076 302 A HA -0.222 4.099 4.320 0.000 0.000 0.220 302 A C 1.738 179.355 177.584 0.056 0.000 1.160 302 A CA 1.471 53.554 52.037 0.076 0.000 0.653 302 A CB -0.706 18.331 19.000 0.062 0.000 0.801 302 A HN 0.516 nan 8.150 nan 0.000 0.455 303 Q N -1.673 118.162 119.800 0.058 0.000 2.360 303 Q HA 0.383 4.723 4.340 0.000 0.000 0.202 303 Q C 1.143 177.151 176.000 0.013 0.000 0.915 303 Q CA 0.720 56.542 55.803 0.033 0.000 0.943 303 Q CB 0.237 28.994 28.738 0.032 0.000 1.064 303 Q HN 0.871 nan 8.270 nan 0.000 0.511 304 G N 0.640 109.447 108.800 0.012 0.000 2.175 304 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 304 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 304 G C -0.124 174.741 174.900 -0.058 0.000 0.982 304 G CA 0.043 45.134 45.100 -0.014 0.000 0.641 304 G HN 0.495 nan 8.290 nan 0.000 0.527 305 N N 0.298 118.942 118.700 -0.093 0.000 2.509 305 N HA 0.467 5.207 4.740 0.000 0.000 0.287 305 N C -0.195 175.074 175.510 -0.401 0.000 1.121 305 N CA -0.580 52.345 53.050 -0.208 0.000 0.977 305 N CB 1.287 39.650 38.487 -0.207 0.000 1.167 305 N HN 0.393 nan 8.380 nan 0.000 0.476 306 Q N 0.215 119.758 119.800 -0.428 0.000 2.317 306 Q HA 0.269 4.609 4.340 0.000 0.000 0.229 306 Q C -0.656 174.807 176.000 -0.894 0.000 0.984 306 Q CA -0.170 55.327 55.803 -0.510 0.000 0.911 306 Q CB 0.873 29.442 28.738 -0.283 0.000 1.217 306 Q HN 0.589 nan 8.270 nan 0.000 0.501 307 H N 0.244 118.981 119.070 -0.555 0.000 2.980 307 H HA 0.398 4.954 4.556 0.000 0.000 0.367 307 H C -1.202 173.874 175.328 -0.420 0.000 1.206 307 H CA -0.615 55.095 56.048 -0.564 0.000 1.126 307 H CB 1.991 31.206 29.762 -0.912 0.000 1.838 307 H HN 0.599 nan 8.280 nan 0.000 0.552 308 E N 0.421 120.606 120.200 -0.026 0.000 2.292 308 E HA 0.520 4.870 4.350 0.000 0.000 0.272 308 E C -0.817 175.866 176.600 0.137 0.000 0.881 308 E CA -0.751 55.681 56.400 0.054 0.000 0.754 308 E CB 2.608 32.319 29.700 0.019 0.000 1.201 308 E HN 0.810 nan 8.360 nan 0.000 0.425 309 G N 2.655 111.557 108.800 0.170 0.000 3.175 309 G HA2 0.713 4.673 3.960 0.000 0.000 0.255 309 G HA3 0.713 4.673 3.960 0.000 0.000 0.255 309 G C -1.228 173.731 174.900 0.099 0.000 1.352 309 G CA -0.600 44.583 45.100 0.138 0.000 1.037 309 G HN 0.522 nan 8.290 nan 0.000 0.556 310 I N -0.757 119.863 120.570 0.083 0.000 2.802 310 I HA 0.480 4.650 4.170 0.000 0.000 0.298 310 I C -0.795 175.362 176.117 0.066 0.000 1.176 310 I CA -1.220 60.120 61.300 0.066 0.000 1.025 310 I CB 2.228 40.258 38.000 0.051 0.000 1.243 310 I HN 0.322 nan 8.210 nan 0.000 0.424 311 I N 5.676 126.283 120.570 0.062 0.000 2.471 311 I HA 0.080 4.250 4.170 0.000 0.000 0.286 311 I C 1.292 177.443 176.117 0.057 0.000 1.079 311 I CA 0.165 61.503 61.300 0.062 0.000 1.398 311 I CB 1.514 39.549 38.000 0.057 0.000 1.403 311 I HN 0.747 nan 8.210 nan 0.000 0.530 312 T N 0.804 115.395 114.554 0.061 0.000 2.983 312 T HA 0.101 4.451 4.350 0.000 0.000 0.250 312 T C 0.698 175.435 174.700 0.062 0.000 1.037 312 T CA 0.099 62.232 62.100 0.056 0.000 1.142 312 T CB 0.230 69.132 68.868 0.057 0.000 0.876 312 T HN 0.472 nan 8.240 nan 0.000 0.455 313 S N -0.019 115.722 115.700 0.069 0.000 2.575 313 S HA 0.693 5.163 4.470 0.000 0.000 0.278 313 S C -0.426 174.201 174.600 0.046 0.000 1.139 313 S CA -0.872 57.366 58.200 0.064 0.000 0.954 313 S CB 1.990 65.234 63.200 0.073 0.000 1.054 313 S HN 0.770 nan 8.310 nan 0.000 0.483 314 G N 0.678 109.500 108.800 0.037 0.000 2.566 314 G HA2 0.718 4.678 3.960 0.000 0.000 0.311 314 G HA3 0.718 4.678 3.960 0.000 0.000 0.311 314 G C -0.829 174.079 174.900 0.013 0.000 1.322 314 G CA -0.466 44.645 45.100 0.019 0.000 0.969 314 G HN 0.645 nan 8.290 nan 0.000 0.490 315 T N 0.084 114.626 114.554 -0.019 0.000 2.671 315 T HA 0.603 4.953 4.350 0.000 0.000 0.300 315 T C -1.880 172.841 174.700 0.035 0.000 1.238 315 T CA -0.533 61.575 62.100 0.013 0.000 1.020 315 T CB 1.223 70.085 68.868 -0.009 0.000 1.503 315 T HN 0.445 nan 8.240 nan 0.000 0.497 316 F N 2.115 122.012 119.950 -0.088 0.000 2.415 316 F HA 0.635 5.162 4.527 0.000 0.000 0.348 316 F C 0.397 176.088 175.800 -0.182 0.000 1.119 316 F CA -0.487 57.447 58.000 -0.111 0.000 1.069 316 F CB 1.379 40.327 39.000 -0.085 0.000 1.124 316 F HN 0.382 nan 8.300 nan 0.000 0.472 317 S N 7.938 123.222 115.700 -0.694 0.000 2.430 317 S HA 0.250 4.720 4.470 0.000 0.000 0.282 317 S C -1.779 172.436 174.600 -0.642 0.000 1.186 317 S CA -1.242 56.584 58.200 -0.623 0.000 1.060 317 S CB 0.695 63.491 63.200 -0.675 0.000 0.966 317 S HN 0.544 nan 8.310 nan 0.000 0.501 318 P HA 0.015 nan 4.420 nan 0.000 0.220 318 P C 1.307 178.485 177.300 -0.204 0.000 1.152 318 P CA 0.797 63.747 63.100 -0.250 0.000 0.812 318 P CB 0.057 31.485 31.700 -0.453 0.000 0.792 319 T N -0.425 114.010 114.554 -0.198 0.000 2.821 319 T HA -0.010 4.340 4.350 0.000 0.000 0.267 319 T C 1.592 176.191 174.700 -0.168 0.000 1.046 319 T CA 1.070 63.147 62.100 -0.038 0.000 1.139 319 T CB -0.630 68.296 68.868 0.096 0.000 0.871 319 T HN 0.071 nan 8.240 nan 0.000 0.454 320 L N -0.157 120.837 121.223 -0.382 0.000 2.354 320 L HA 0.291 4.631 4.340 0.000 0.000 0.212 320 L C 1.971 178.422 176.870 -0.699 0.000 1.091 320 L CA 0.502 54.985 54.840 -0.596 0.000 0.828 320 L CB -0.301 41.153 42.059 -1.008 0.000 0.973 320 L HN 0.476 nan 8.230 nan 0.000 0.461 321 G N -0.057 108.343 108.800 -0.667 0.000 2.136 321 G HA2 -0.302 3.658 3.960 0.000 0.000 0.242 321 G HA3 -0.302 3.658 3.960 0.000 0.000 0.242 321 G C -0.103 174.482 174.900 -0.525 0.000 0.989 321 G CA 0.423 45.277 45.100 -0.410 0.000 0.682 321 G HN 0.444 nan 8.290 nan 0.000 0.522 322 Y N -2.465 117.340 120.300 -0.826 0.000 2.764 322 Y HA 0.826 5.376 4.550 0.000 0.000 0.331 322 Y C -0.075 175.411 175.900 -0.690 0.000 1.280 322 Y CA -1.440 56.310 58.100 -0.583 0.000 1.065 322 Y CB 0.452 38.788 38.460 -0.206 0.000 1.319 322 Y HN 0.534 nan 8.280 nan 0.000 0.453 323 S N 1.517 117.208 115.700 -0.016 0.000 2.586 323 S HA 0.783 5.253 4.470 0.000 0.000 0.274 323 S C -0.490 174.080 174.600 -0.051 0.000 1.281 323 S CA -0.435 57.723 58.200 -0.069 0.000 1.035 323 S CB -0.255 62.988 63.200 0.072 0.000 0.962 323 S HN 0.860 nan 8.310 nan 0.000 0.512 324 I N 0.647 121.087 120.570 -0.217 0.000 3.042 324 I HA 0.995 5.165 4.170 0.000 0.000 0.310 324 I C -0.700 175.255 176.117 -0.271 0.000 1.117 324 I CA -1.304 59.775 61.300 -0.367 0.000 1.003 324 I CB 1.842 39.221 38.000 -1.036 0.000 1.228 324 I HN 0.752 nan 8.210 nan 0.000 0.443 325 A N 3.622 126.340 122.820 -0.170 0.000 2.610 325 A HA 0.785 5.106 4.320 0.000 0.000 0.291 325 A C -1.664 176.033 177.584 0.189 0.000 1.086 325 A CA -0.699 51.338 52.037 0.000 0.000 0.677 325 A CB 1.678 20.701 19.000 0.039 0.000 1.278 325 A HN 0.739 nan 8.150 nan 0.000 0.414 326 L N 0.615 121.934 121.223 0.160 0.000 2.325 326 L HA 0.804 5.144 4.340 0.000 0.000 0.278 326 L C 0.297 177.237 176.870 0.116 0.000 1.023 326 L CA -0.459 54.485 54.840 0.174 0.000 0.811 326 L CB 1.872 44.028 42.059 0.162 0.000 1.249 326 L HN 0.978 nan 8.230 nan 0.000 0.431 327 A N 3.068 125.950 122.820 0.103 0.000 2.486 327 A HA 0.648 4.968 4.320 0.000 0.000 0.300 327 A C -1.111 176.516 177.584 0.072 0.000 1.048 327 A CA -0.684 51.403 52.037 0.083 0.000 0.696 327 A CB 1.772 20.821 19.000 0.083 0.000 1.278 327 A HN 0.746 nan 8.150 nan 0.000 0.405 328 R N 1.347 121.887 120.500 0.068 0.000 2.229 328 R HA 0.631 4.971 4.340 0.000 0.000 0.328 328 R C -0.797 175.548 176.300 0.075 0.000 1.009 328 R CA -0.200 55.938 56.100 0.063 0.000 0.864 328 R CB 0.829 31.162 30.300 0.054 0.000 1.085 328 R HN 1.045 nan 8.270 nan 0.000 0.453 329 V N 1.410 121.369 119.914 0.074 0.000 3.130 329 V HA 0.664 4.784 4.120 0.000 0.000 0.310 329 V C -2.758 173.396 176.094 0.101 0.000 1.158 329 V CA -2.966 59.398 62.300 0.108 0.000 1.029 329 V CB 1.890 33.765 31.823 0.086 0.000 1.057 329 V HN 0.650 nan 8.190 nan 0.000 0.436 330 P HA 0.115 nan 4.420 nan 0.000 0.264 330 P C -0.155 177.177 177.300 0.054 0.000 1.183 330 P CA 0.456 63.633 63.100 0.130 0.000 0.763 330 P CB 0.218 32.046 31.700 0.212 0.000 0.807 331 E N 1.695 121.909 120.200 0.023 0.000 2.467 331 E HA 0.093 4.443 4.350 0.000 0.000 0.264 331 E C 1.617 178.204 176.600 -0.021 0.000 1.020 331 E CA 1.663 58.059 56.400 -0.007 0.000 0.945 331 E CB -0.120 29.581 29.700 0.002 0.000 0.942 331 E HN 0.781 nan 8.360 nan 0.000 0.449 332 G N 2.712 111.478 108.800 -0.058 0.000 2.232 332 G HA2 -0.292 3.668 3.960 0.000 0.000 0.226 332 G HA3 -0.292 3.668 3.960 0.000 0.000 0.226 332 G C 0.571 175.375 174.900 -0.160 0.000 0.996 332 G CA 0.031 45.101 45.100 -0.051 0.000 0.626 332 G HN 0.548 nan 8.290 nan 0.000 0.509 333 I N 2.239 122.560 120.570 -0.416 0.000 2.880 333 I HA 0.411 4.581 4.170 0.000 0.000 0.296 333 I C 1.459 177.261 176.117 -0.525 0.000 1.220 333 I CA 0.985 61.661 61.300 -1.040 0.000 1.435 333 I CB 0.544 38.008 38.000 -0.894 0.000 1.339 333 I HN 0.274 nan 8.210 nan 0.000 0.583 334 G N 4.892 113.408 108.800 -0.473 0.000 2.666 334 G HA2 0.126 4.086 3.960 0.000 0.000 0.207 334 G HA3 0.126 4.086 3.960 0.000 0.000 0.207 334 G C 0.498 175.299 174.900 -0.165 0.000 1.481 334 G CA -0.169 44.812 45.100 -0.199 0.000 1.071 334 G HN 0.695 nan 8.290 nan 0.000 0.572 335 E N -0.218 119.927 120.200 -0.092 0.000 2.358 335 E HA 0.049 4.400 4.350 0.000 0.000 0.195 335 E C 0.858 177.427 176.600 -0.051 0.000 1.010 335 E CA 1.035 57.396 56.400 -0.064 0.000 0.856 335 E CB 0.064 29.740 29.700 -0.039 0.000 0.795 335 E HN 0.495 nan 8.360 nan 0.000 0.504 336 T N -2.471 112.055 114.554 -0.048 0.000 2.821 336 T HA 0.782 5.132 4.350 0.000 0.000 0.306 336 T C -0.643 174.064 174.700 0.012 0.000 1.313 336 T CA -0.520 61.573 62.100 -0.011 0.000 1.012 336 T CB 2.396 71.268 68.868 0.007 0.000 1.298 336 T HN 0.061 nan 8.240 nan 0.000 0.502 337 A N 0.605 123.452 122.820 0.046 0.000 2.493 337 A HA 0.864 5.184 4.320 0.000 0.000 0.300 337 A C -1.806 175.828 177.584 0.084 0.000 1.152 337 A CA -0.879 51.221 52.037 0.105 0.000 0.643 337 A CB 0.705 19.780 19.000 0.125 0.000 1.316 337 A HN 1.725 nan 8.150 nan 0.000 0.469 338 I N -1.664 118.964 120.570 0.098 0.000 2.608 338 I HA 0.839 5.009 4.170 0.000 0.000 0.295 338 I C -0.441 175.717 176.117 0.068 0.000 1.049 338 I CA -1.067 60.273 61.300 0.068 0.000 1.063 338 I CB 1.914 39.948 38.000 0.057 0.000 1.248 338 I HN 1.099 nan 8.210 nan 0.000 0.424 339 V N 3.299 123.244 119.914 0.053 0.000 2.588 339 V HA 0.538 4.658 4.120 0.000 0.000 0.304 339 V C -0.603 175.514 176.094 0.040 0.000 1.042 339 V CA -0.425 61.905 62.300 0.050 0.000 0.877 339 V CB 1.699 33.554 31.823 0.054 0.000 0.996 339 V HN 1.018 nan 8.190 nan 0.000 0.425 340 Q N 4.645 124.466 119.800 0.036 0.000 2.293 340 Q HA 0.527 4.867 4.340 0.000 0.000 0.263 340 Q C -0.878 175.139 176.000 0.029 0.000 1.002 340 Q CA -0.044 55.776 55.803 0.029 0.000 0.910 340 Q CB 0.729 29.481 28.738 0.024 0.000 1.185 340 Q HN 0.842 nan 8.270 nan 0.000 0.401 341 I N 4.828 125.415 120.570 0.027 0.000 2.411 341 I HA 0.315 4.485 4.170 0.000 0.000 0.284 341 I C -0.066 176.064 176.117 0.022 0.000 1.012 341 I CA -0.788 60.528 61.300 0.027 0.000 1.119 341 I CB 1.362 39.381 38.000 0.031 0.000 1.261 341 I HN 0.787 nan 8.210 nan 0.000 0.448 342 R N 5.023 125.535 120.500 0.020 0.000 3.264 342 R HA -0.214 4.126 4.340 0.000 0.000 0.251 342 R C 0.323 176.631 176.300 0.014 0.000 0.971 342 R CA 0.458 56.567 56.100 0.016 0.000 0.658 342 R CB -1.184 29.125 30.300 0.015 0.000 1.095 342 R HN 0.931 nan 8.270 nan 0.000 0.443 343 N N -2.041 116.668 118.700 0.014 0.000 2.929 343 N HA -0.236 4.504 4.740 0.000 0.000 0.234 343 N C -0.368 175.150 175.510 0.013 0.000 0.908 343 N CA 1.889 54.946 53.050 0.012 0.000 0.993 343 N CB -0.597 37.895 38.487 0.009 0.000 1.075 343 N HN 0.536 nan 8.380 nan 0.000 0.603 344 R N 1.629 122.138 120.500 0.015 0.000 2.340 344 R HA 0.216 4.556 4.340 0.000 0.000 0.300 344 R C 0.167 176.478 176.300 0.018 0.000 1.069 344 R CA -0.074 56.035 56.100 0.015 0.000 0.984 344 R CB 0.750 31.060 30.300 0.016 0.000 1.003 344 R HN 0.158 nan 8.270 nan 0.000 0.459 345 E N 3.969 124.179 120.200 0.017 0.000 2.014 345 E HA 0.149 4.499 4.350 0.000 0.000 0.275 345 E C -0.264 176.349 176.600 0.022 0.000 0.997 345 E CA -0.328 56.084 56.400 0.021 0.000 0.804 345 E CB 1.059 30.771 29.700 0.019 0.000 1.090 345 E HN 0.186 nan 8.360 nan 0.000 0.401 346 M N 5.081 124.696 119.600 0.026 0.000 2.108 346 M HA 0.291 4.771 4.480 0.000 0.000 0.354 346 M C -2.263 174.052 176.300 0.025 0.000 1.229 346 M CA -2.519 52.795 55.300 0.024 0.000 1.081 346 M CB 0.431 33.047 32.600 0.027 0.000 1.606 346 M HN 0.060 nan 8.290 nan 0.000 0.467 347 P HA 0.260 nan 4.420 nan 0.000 0.271 347 P C -0.671 176.636 177.300 0.010 0.000 1.216 347 P CA -0.215 62.895 63.100 0.017 0.000 0.776 347 P CB 0.758 32.462 31.700 0.008 0.000 0.881 348 V N -0.502 119.422 119.914 0.016 0.000 3.040 348 V HA 0.619 4.739 4.120 0.000 0.000 0.312 348 V C -0.394 175.703 176.094 0.005 0.000 1.115 348 V CA -1.334 60.972 62.300 0.010 0.000 0.998 348 V CB 2.100 33.942 31.823 0.031 0.000 1.042 348 V HN 0.460 nan 8.190 nan 0.000 0.433 349 K N 1.662 122.061 120.400 -0.001 0.000 2.130 349 K HA 0.718 5.038 4.320 0.000 0.000 0.268 349 K C -1.117 175.490 176.600 0.012 0.000 0.983 349 K CA -0.614 55.671 56.287 -0.004 0.000 0.893 349 K CB 1.864 34.354 32.500 -0.016 0.000 1.066 349 K HN 0.712 nan 8.250 nan 0.000 0.450 350 V N 4.009 123.917 119.914 -0.011 0.000 2.407 350 V HA 0.274 4.394 4.120 0.000 0.000 0.278 350 V C 0.251 176.330 176.094 -0.024 0.000 1.037 350 V CA -0.441 61.848 62.300 -0.019 0.000 0.900 350 V CB 0.873 32.654 31.823 -0.070 0.000 0.983 350 V HN 1.047 nan 8.190 nan 0.000 0.459 351 T N 1.848 116.393 114.554 -0.017 0.000 2.888 351 T HA 0.552 4.902 4.350 0.000 0.000 0.288 351 T C -0.318 174.315 174.700 -0.110 0.000 1.063 351 T CA -1.058 61.007 62.100 -0.059 0.000 1.010 351 T CB 1.856 70.692 68.868 -0.055 0.000 1.214 351 T HN 0.640 nan 8.240 nan 0.000 0.533 352 K N 0.895 121.206 120.400 -0.147 0.000 2.518 352 K HA 0.096 4.416 4.320 0.000 0.000 0.276 352 K C -2.355 174.067 176.600 -0.297 0.000 0.974 352 K CA -1.160 55.020 56.287 -0.178 0.000 0.986 352 K CB -0.531 31.867 32.500 -0.170 0.000 0.901 352 K HN 0.465 nan 8.250 nan 0.000 0.497 353 P HA 0.092 nan 4.420 nan 0.000 0.218 353 P C -0.730 176.338 177.300 -0.386 0.000 1.793 353 P CA -0.230 62.709 63.100 -0.268 0.000 0.941 353 P CB 0.262 31.918 31.700 -0.073 0.000 1.919 354 V N 0.631 120.136 119.914 -0.682 0.000 3.120 354 V HA 0.448 4.568 4.120 0.000 0.000 0.303 354 V C -0.576 175.018 176.094 -0.832 0.000 1.238 354 V CA -0.530 61.422 62.300 -0.580 0.000 1.008 354 V CB 1.964 33.624 31.823 -0.271 0.000 1.064 354 V HN -0.016 nan 8.190 nan 0.000 0.434 355 F N 3.297 123.225 119.950 -0.035 0.000 2.496 355 F HA 0.556 5.083 4.527 0.000 0.000 0.274 355 F C 0.256 176.035 175.800 -0.036 0.000 0.924 355 F CA 0.027 58.010 58.000 -0.029 0.000 1.147 355 F CB 0.679 39.660 39.000 -0.032 0.000 0.969 355 F HN 0.283 nan 8.300 nan 0.000 0.749 356 V N 1.923 121.928 119.914 0.151 0.000 2.686 356 V HA 0.606 4.726 4.120 0.000 0.000 0.306 356 V C -0.888 175.218 176.094 0.020 0.000 1.065 356 V CA -0.808 61.532 62.300 0.066 0.000 0.894 356 V CB 2.274 34.139 31.823 0.071 0.000 1.004 356 V HN 0.060 nan 8.190 nan 0.000 0.424 357 R N 3.053 123.548 120.500 -0.008 0.000 2.651 357 R HA 0.465 4.805 4.340 0.000 0.000 0.278 357 R C -0.393 175.890 176.300 -0.028 0.000 1.010 357 R CA -0.785 55.299 56.100 -0.026 0.000 0.896 357 R CB 1.772 32.047 30.300 -0.041 0.000 1.211 357 R HN 0.857 nan 8.270 nan 0.000 0.456 358 N N 0.981 119.661 118.700 -0.033 0.000 2.727 358 N HA -0.226 4.514 4.740 0.000 0.000 0.249 358 N C 0.740 176.227 175.510 -0.038 0.000 1.048 358 N CA 1.498 54.526 53.050 -0.036 0.000 0.714 358 N CB -0.789 37.679 38.487 -0.031 0.000 0.959 358 N HN 1.103 nan 8.380 nan 0.000 0.544 359 G N -1.297 107.478 108.800 -0.041 0.000 2.212 359 G HA2 -0.350 3.610 3.960 0.000 0.000 0.266 359 G HA3 -0.350 3.610 3.960 0.000 0.000 0.266 359 G C -0.003 174.885 174.900 -0.019 0.000 0.978 359 G CA 1.089 46.165 45.100 -0.040 0.000 0.632 359 G HN 0.538 nan 8.290 nan 0.000 0.537 360 K N 0.162 120.553 120.400 -0.014 0.000 2.422 360 K HA 0.716 5.036 4.320 0.000 0.000 0.251 360 K C 0.297 176.899 176.600 0.003 0.000 0.933 360 K CA -0.334 55.950 56.287 -0.005 0.000 0.798 360 K CB 2.200 34.694 32.500 -0.010 0.000 1.238 360 K HN 0.585 nan 8.250 nan 0.000 0.428 361 A N 1.685 124.512 122.820 0.012 0.000 2.540 361 A HA 0.105 4.425 4.320 0.000 0.000 0.239 361 A C 0.171 177.763 177.584 0.013 0.000 1.061 361 A CA -0.191 51.862 52.037 0.026 0.000 0.758 361 A CB 0.052 19.075 19.000 0.038 0.000 0.991 361 A HN 0.444 nan 8.150 nan 0.000 0.502 362 V N 3.554 123.474 119.914 0.009 0.000 2.313 362 V HA 0.384 4.504 4.120 0.000 0.000 0.252 362 V C 1.013 177.098 176.094 -0.015 0.000 1.112 362 V CA 0.356 62.642 62.300 -0.023 0.000 0.984 362 V CB -0.609 31.177 31.823 -0.061 0.000 1.157 362 V HN 1.071 nan 8.190 nan 0.000 0.493 363 A N 0.000 122.816 122.820 -0.006 0.000 2.254 363 A HA 0.000 4.320 4.320 0.000 0.000 0.244 363 A CA 0.000 52.040 52.037 0.004 0.000 0.836 363 A CB 0.000 19.006 19.000 0.010 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486