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 1g98_1_A DATA FIRST_RESID 1 DATA SEQUENCE AALTRNPQFQ KLQQWHREHG SELNLRHLFD TDKERFNHFS LTLNTNHGHI DATA SEQUENCE LLDYSKNLVT EEVMHMLLDL AKSRGVEAAR ESMFNGEKIN STEDRAVLHV DATA SEQUENCE ALRNRSNTPI VVDGKDVMPE VNKVLDKMKA FCQRVRSGDW KGYTGKTITD DATA SEQUENCE VINIGIGGSD LGPLMVTEAL KPYSSGGPRV WFVSNIDGTH IAKTLACLNP DATA SEQUENCE ESSLFIIASK TFTTQETITN AKTAKDWFLL SAKDPSTVAK HFVALSTNTA DATA SEQUENCE KVKEFGIDPQ NMFEFWDWVG GRYSLWSAIG LSIALHVGFD NFEQLLSGAH DATA SEQUENCE WMDQHFRTTP LEKNAPVLLA MLGIWYINCF GCETQAVLPY DQYLHRFAAY DATA SEQUENCE FQQGDMESNG KYITKSGARV DHQTGPIVWG EPGTNGQHAF YQLIHQGTKM DATA SEQUENCE IPCDFLIPVQ TQHPIRKGLH HKILLANFLA QTEALMKGKS TEEARKELQA DATA SEQUENCE AGKSPEDLMK LLPHKVFEGN RPTNSIVFTK LTPFILGALI AMYEHKIFVQ DATA SEQUENCE GVVWDINSFD QWGVELGKQL AKKIEPELDG SSPVTSHDSS TNGLINFIKQ DATA SEQUENCE QREAK 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 0.000 177.620 177.584 0.060 0.000 1.274 1 A CA 0.000 52.078 52.037 0.068 0.000 0.836 1 A CB 0.000 19.075 19.000 0.125 0.000 0.831 2 A N 0.238 123.088 122.820 0.050 0.000 2.121 2 A HA 0.195 4.635 4.320 0.199 0.000 0.218 2 A C 1.705 179.272 177.584 -0.029 0.000 1.154 2 A CA 2.062 54.109 52.037 0.018 0.000 0.679 2 A CB -0.391 18.619 19.000 0.017 0.000 0.795 2 A HN 1.528 nan 8.150 nan 0.000 0.458 3 L N -0.641 120.531 121.223 -0.084 0.000 2.034 3 L HA -0.015 4.444 4.340 0.199 0.000 0.203 3 L C 2.408 179.054 176.870 -0.373 0.000 1.074 3 L CA 2.693 57.330 54.840 -0.338 0.000 0.748 3 L CB -1.072 40.594 42.059 -0.654 0.000 0.905 3 L HN 0.308 nan 8.230 nan 0.000 0.439 4 T N -0.358 114.071 114.554 -0.210 0.000 2.977 4 T HA -0.120 4.349 4.350 0.199 0.000 0.271 4 T C 1.740 176.552 174.700 0.186 0.000 1.105 4 T CA 1.070 63.214 62.100 0.074 0.000 1.116 4 T CB -0.258 68.703 68.868 0.155 0.000 0.878 4 T HN 0.292 nan 8.240 nan 0.000 0.509 5 R N 1.043 121.603 120.500 0.099 0.000 2.334 5 R HA 0.168 4.627 4.340 0.199 0.000 0.216 5 R C 0.641 177.001 176.300 0.101 0.000 0.905 5 R CA -0.241 55.918 56.100 0.099 0.000 1.064 5 R CB 0.157 30.496 30.300 0.064 0.000 1.046 5 R HN 0.207 nan 8.270 nan 0.000 0.508 6 N N 1.990 120.758 118.700 0.114 0.000 2.442 6 N HA 0.018 4.877 4.740 0.199 0.000 0.265 6 N C -2.028 173.579 175.510 0.162 0.000 1.138 6 N CA -1.516 51.603 53.050 0.114 0.000 0.956 6 N CB 1.594 40.135 38.487 0.090 0.000 1.067 6 N HN -0.185 nan 8.380 nan 0.000 0.474 7 P HA -0.150 nan 4.420 nan 0.000 0.215 7 P C 0.830 178.189 177.300 0.097 0.000 1.157 7 P CA 1.586 64.741 63.100 0.091 0.000 0.874 7 P CB 0.360 32.095 31.700 0.059 0.000 0.790 8 Q N -2.136 117.722 119.800 0.097 0.000 2.170 8 Q HA -0.123 4.337 4.340 0.199 0.000 0.203 8 Q C 1.906 177.980 176.000 0.124 0.000 0.976 8 Q CA 1.251 57.105 55.803 0.084 0.000 0.858 8 Q CB -1.213 27.563 28.738 0.063 0.000 0.907 8 Q HN 0.270 nan 8.270 nan 0.000 0.433 9 F N 0.959 120.927 119.950 0.031 0.000 2.163 9 F HA -0.135 4.510 4.527 0.198 0.000 0.297 9 F C 1.854 177.696 175.800 0.070 0.000 1.094 9 F CA 1.366 59.393 58.000 0.045 0.000 1.290 9 F CB -0.012 39.004 39.000 0.025 0.000 1.017 9 F HN 0.049 nan 8.300 nan 0.000 0.483 10 Q N 0.133 119.982 119.800 0.082 0.000 2.119 10 Q HA -0.225 4.235 4.340 0.199 0.000 0.201 10 Q C 2.246 178.235 176.000 -0.018 0.000 0.972 10 Q CA 1.636 57.443 55.803 0.005 0.000 0.847 10 Q CB -0.307 28.486 28.738 0.093 0.000 0.903 10 Q HN 0.417 nan 8.270 nan 0.000 0.433 11 K N 0.760 121.175 120.400 0.026 0.000 2.057 11 K HA -0.181 4.259 4.320 0.199 0.000 0.207 11 K C 2.059 178.712 176.600 0.090 0.000 1.049 11 K CA 0.851 57.176 56.287 0.063 0.000 0.931 11 K CB -0.075 32.462 32.500 0.061 0.000 0.714 11 K HN 0.094 nan 8.250 nan 0.000 0.440 12 L N 1.710 122.946 121.223 0.023 0.000 2.017 12 L HA -0.208 4.252 4.340 0.199 0.000 0.208 12 L C 2.287 179.243 176.870 0.143 0.000 1.073 12 L CA 1.720 56.610 54.840 0.084 0.000 0.745 12 L CB -0.373 41.692 42.059 0.009 0.000 0.894 12 L HN 0.257 nan 8.230 nan 0.000 0.432 13 Q N -1.159 118.569 119.800 -0.121 0.000 2.124 13 Q HA -0.276 4.184 4.340 0.199 0.000 0.202 13 Q C 2.245 178.266 176.000 0.036 0.000 0.977 13 Q CA 1.736 57.468 55.803 -0.119 0.000 0.850 13 Q CB -0.146 28.413 28.738 -0.299 0.000 0.901 13 Q HN 0.562 nan 8.270 nan 0.000 0.429 14 Q N 0.171 120.001 119.800 0.050 0.000 2.050 14 Q HA -0.198 4.261 4.340 0.199 0.000 0.202 14 Q C 1.549 177.604 176.000 0.091 0.000 0.980 14 Q CA 1.745 57.581 55.803 0.055 0.000 0.840 14 Q CB -0.500 28.276 28.738 0.062 0.000 0.898 14 Q HN 0.457 nan 8.270 nan 0.000 0.424 15 W N 0.183 121.504 121.300 0.035 0.000 2.358 15 W HA -0.217 4.564 4.660 0.202 0.000 0.303 15 W C 2.402 178.973 176.519 0.088 0.000 1.208 15 W CA 2.089 59.487 57.345 0.088 0.000 1.274 15 W CB -0.472 29.092 29.460 0.173 0.000 1.138 15 W HN 0.428 nan 8.180 nan 0.000 0.515 16 H N 1.397 120.709 119.070 0.403 0.000 2.353 16 H HA -0.163 4.512 4.556 0.198 0.000 0.300 16 H C 2.222 177.460 175.328 -0.150 0.000 1.090 16 H CA 2.231 58.383 56.048 0.173 0.000 1.327 16 H CB -0.199 29.529 29.762 -0.056 0.000 1.383 16 H HN 0.286 nan 8.280 nan 0.000 0.508 17 R N 0.518 120.989 120.500 -0.050 0.000 2.189 17 R HA -0.062 4.397 4.340 0.199 0.000 0.223 17 R C 1.542 177.671 176.300 -0.286 0.000 1.092 17 R CA 1.600 57.620 56.100 -0.134 0.000 0.989 17 R CB -0.191 30.072 30.300 -0.063 0.000 0.876 17 R HN 0.422 nan 8.270 nan 0.000 0.457 18 E N -0.412 119.518 120.200 -0.450 0.000 2.251 18 E HA 0.020 4.489 4.350 0.199 0.000 0.194 18 E C 0.894 176.960 176.600 -0.890 0.000 0.964 18 E CA 0.418 56.403 56.400 -0.691 0.000 0.868 18 E CB 0.378 29.530 29.700 -0.913 0.000 0.828 18 E HN 0.543 nan 8.360 nan 0.000 0.481 19 H N -1.601 117.103 119.070 -0.609 0.000 3.440 19 H HA 0.210 4.885 4.556 0.199 0.000 0.259 19 H C 1.873 176.938 175.328 -0.438 0.000 1.120 19 H CA 0.610 56.269 56.048 -0.647 0.000 1.191 19 H CB 0.215 29.252 29.762 -1.209 0.000 1.537 19 H HN 0.154 nan 8.280 nan 0.000 0.547 20 G N 1.865 110.403 108.800 -0.437 0.000 2.599 20 G HA2 -0.375 3.704 3.960 0.199 0.000 0.219 20 G HA3 -0.375 3.704 3.960 0.199 0.000 0.219 20 G C 1.934 176.750 174.900 -0.140 0.000 1.193 20 G CA 2.383 47.166 45.100 -0.527 0.000 0.778 20 G HN 0.504 nan 8.290 nan 0.000 0.589 21 S N 0.697 116.286 115.700 -0.186 0.000 2.423 21 S HA -0.109 4.480 4.470 0.199 0.000 0.231 21 S C 2.098 176.738 174.600 0.066 0.000 1.014 21 S CA 1.740 59.949 58.200 0.014 0.000 0.965 21 S CB -0.271 62.911 63.200 -0.030 0.000 0.785 21 S HN 0.720 nan 8.310 nan 0.000 0.495 22 E N 1.292 121.509 120.200 0.029 0.000 2.150 22 E HA -0.020 4.449 4.350 0.199 0.000 0.193 22 E C 0.257 176.923 176.600 0.110 0.000 0.985 22 E CA 0.126 56.553 56.400 0.046 0.000 0.814 22 E CB -0.396 29.314 29.700 0.016 0.000 0.752 22 E HN 0.588 nan 8.360 nan 0.000 0.466 23 L N 2.495 123.836 121.223 0.196 0.000 2.559 23 L HA -0.002 4.457 4.340 0.199 0.000 0.274 23 L C 0.193 177.196 176.870 0.223 0.000 1.205 23 L CA 0.137 55.136 54.840 0.264 0.000 0.907 23 L CB -0.033 42.273 42.059 0.412 0.000 1.153 23 L HN 0.244 nan 8.230 nan 0.000 0.490 24 N N 3.896 122.721 118.700 0.209 0.000 2.461 24 N HA 0.232 5.091 4.740 0.199 0.000 0.284 24 N C 0.652 176.289 175.510 0.211 0.000 1.049 24 N CA -0.499 52.664 53.050 0.189 0.000 0.889 24 N CB 1.704 40.287 38.487 0.160 0.000 1.365 24 N HN 0.539 nan 8.380 nan 0.000 0.499 25 L N 2.603 123.942 121.223 0.193 0.000 1.990 25 L HA -0.155 4.304 4.340 0.199 0.000 0.213 25 L C 2.564 179.619 176.870 0.308 0.000 1.072 25 L CA 1.369 56.354 54.840 0.242 0.000 0.755 25 L CB -0.261 41.926 42.059 0.213 0.000 0.889 25 L HN 0.578 nan 8.230 nan 0.000 0.432 26 R N -0.818 119.805 120.500 0.206 0.000 2.105 26 R HA -0.248 4.211 4.340 0.199 0.000 0.239 26 R C 2.440 178.862 176.300 0.204 0.000 1.135 26 R CA 1.837 58.040 56.100 0.171 0.000 0.967 26 R CB -0.254 30.108 30.300 0.104 0.000 0.861 26 R HN 0.405 nan 8.270 nan 0.000 0.442 27 H N 0.093 119.230 119.070 0.112 0.000 2.357 27 H HA -0.016 4.660 4.556 0.200 0.000 0.301 27 H C 1.857 177.230 175.328 0.074 0.000 1.082 27 H CA 1.758 57.855 56.048 0.082 0.000 1.342 27 H CB -0.146 29.655 29.762 0.065 0.000 1.389 27 H HN 0.151 nan 8.280 nan 0.000 0.511 28 L N -0.971 120.241 121.223 -0.019 0.000 2.046 28 L HA -0.162 4.297 4.340 0.199 0.000 0.208 28 L C 2.066 178.807 176.870 -0.216 0.000 1.077 28 L CA 1.308 56.046 54.840 -0.170 0.000 0.747 28 L CB -0.492 41.475 42.059 -0.152 0.000 0.896 28 L HN 0.254 nan 8.230 nan 0.000 0.432 29 F N 0.291 120.180 119.950 -0.101 0.000 2.163 29 F HA -0.183 4.462 4.527 0.197 0.000 0.297 29 F C 2.197 177.947 175.800 -0.083 0.000 1.094 29 F CA 1.209 59.161 58.000 -0.080 0.000 1.290 29 F CB -0.365 38.601 39.000 -0.055 0.000 1.017 29 F HN 0.095 nan 8.300 nan 0.000 0.483 30 D N -0.924 119.534 120.400 0.096 0.000 2.350 30 D HA -0.091 4.669 4.640 0.199 0.000 0.216 30 D C 1.923 178.193 176.300 -0.050 0.000 0.968 30 D CA 1.562 55.579 54.000 0.028 0.000 0.894 30 D CB -0.521 40.304 40.800 0.043 0.000 0.909 30 D HN 0.332 nan 8.370 nan 0.000 0.520 31 T N -3.355 111.114 114.554 -0.143 0.000 3.084 31 T HA 0.153 4.623 4.350 0.199 0.000 0.270 31 T C -0.044 174.587 174.700 -0.116 0.000 1.008 31 T CA -0.538 61.466 62.100 -0.160 0.000 0.900 31 T CB 0.564 69.243 68.868 -0.314 0.000 1.084 31 T HN -0.175 nan 8.240 nan 0.000 0.538 32 D N 0.472 120.808 120.400 -0.106 0.000 2.337 32 D HA 0.357 5.117 4.640 0.199 0.000 0.238 32 D C 0.446 176.698 176.300 -0.080 0.000 1.331 32 D CA -0.473 53.469 54.000 -0.097 0.000 0.967 32 D CB 1.231 41.954 40.800 -0.128 0.000 1.382 32 D HN -0.211 nan 8.370 nan 0.000 0.549 33 K N 0.865 121.239 120.400 -0.043 0.000 2.442 33 K HA 0.021 4.461 4.320 0.199 0.000 0.198 33 K C 1.060 177.638 176.600 -0.037 0.000 1.044 33 K CA 0.824 57.103 56.287 -0.014 0.000 0.948 33 K CB 0.251 32.745 32.500 -0.009 0.000 0.762 33 K HN 0.386 nan 8.250 nan 0.000 0.472 34 E N -0.283 119.845 120.200 -0.120 0.000 2.476 34 E HA 0.049 4.519 4.350 0.199 0.000 0.196 34 E C 1.348 177.778 176.600 -0.284 0.000 1.029 34 E CA -0.062 56.185 56.400 -0.256 0.000 0.896 34 E CB 0.317 29.732 29.700 -0.476 0.000 1.012 34 E HN 0.232 nan 8.360 nan 0.000 0.475 35 R N 0.300 120.712 120.500 -0.147 0.000 2.094 35 R HA -0.204 4.255 4.340 0.199 0.000 0.239 35 R C 2.109 178.450 176.300 0.067 0.000 1.137 35 R CA 1.632 57.663 56.100 -0.115 0.000 0.943 35 R CB -0.356 29.578 30.300 -0.609 0.000 0.850 35 R HN 0.142 nan 8.270 nan 0.000 0.433 36 F N 1.403 121.351 119.950 -0.003 0.000 2.069 36 F HA -0.248 4.400 4.527 0.202 0.000 0.298 36 F C 1.919 177.731 175.800 0.020 0.000 1.113 36 F CA 2.358 60.394 58.000 0.060 0.000 1.214 36 F CB -0.752 38.300 39.000 0.088 0.000 0.978 36 F HN 0.142 nan 8.300 nan 0.000 0.474 37 N N -1.128 117.518 118.700 -0.089 0.000 2.094 37 N HA -0.246 4.614 4.740 0.199 0.000 0.191 37 N C 1.712 177.147 175.510 -0.125 0.000 1.023 37 N CA 1.755 54.706 53.050 -0.166 0.000 0.857 37 N CB -0.277 38.176 38.487 -0.056 0.000 1.013 37 N HN 0.537 nan 8.380 nan 0.000 0.426 38 H N -2.682 116.273 119.070 -0.191 0.000 2.512 38 H HA 0.045 4.718 4.556 0.196 0.000 0.279 38 H C -0.022 174.910 175.328 -0.660 0.000 0.999 38 H CA 0.235 56.068 56.048 -0.359 0.000 1.283 38 H CB 0.393 29.949 29.762 -0.344 0.000 1.421 38 H HN 0.203 nan 8.280 nan 0.000 0.554 39 F N 1.281 121.013 119.950 -0.362 0.000 2.831 39 F HA 0.234 4.882 4.527 0.202 0.000 0.355 39 F C 0.066 175.093 175.800 -1.289 0.000 1.341 39 F CA -0.543 56.961 58.000 -0.826 0.000 1.201 39 F CB 0.675 39.306 39.000 -0.614 0.000 1.058 39 F HN -0.047 nan 8.300 nan 0.000 0.514 40 S N 0.097 115.371 115.700 -0.709 0.000 2.607 40 S HA 0.804 5.393 4.470 0.199 0.000 0.273 40 S C -1.596 172.928 174.600 -0.126 0.000 1.148 40 S CA -0.809 57.110 58.200 -0.467 0.000 0.833 40 S CB 2.541 65.258 63.200 -0.804 0.000 1.130 40 S HN 0.158 nan 8.310 nan 0.000 0.470 41 L N 1.542 122.796 121.223 0.052 0.000 2.476 41 L HA 0.564 5.023 4.340 0.199 0.000 0.269 41 L C -1.325 175.625 176.870 0.134 0.000 0.965 41 L CA -0.192 54.732 54.840 0.141 0.000 0.845 41 L CB 2.233 44.454 42.059 0.270 0.000 1.259 41 L HN 0.988 nan 8.230 nan 0.000 0.403 42 T N 5.484 120.114 114.554 0.127 0.000 2.797 42 T HA 0.585 5.055 4.350 0.199 0.000 0.279 42 T C -0.343 174.453 174.700 0.160 0.000 0.991 42 T CA -0.336 61.860 62.100 0.160 0.000 0.979 42 T CB 1.403 70.377 68.868 0.176 0.000 0.943 42 T HN 0.344 nan 8.240 nan 0.000 0.444 43 L N 3.815 125.119 121.223 0.136 0.000 2.343 43 L HA 0.488 4.948 4.340 0.199 0.000 0.278 43 L C 0.279 177.084 176.870 -0.108 0.000 0.996 43 L CA -0.715 54.182 54.840 0.095 0.000 0.831 43 L CB 1.420 43.532 42.059 0.089 0.000 1.232 43 L HN 0.612 nan 8.230 nan 0.000 0.413 44 N N 1.166 119.766 118.700 -0.166 0.000 2.439 44 N HA 0.124 4.983 4.740 0.199 0.000 0.249 44 N C 0.884 176.157 175.510 -0.394 0.000 1.003 44 N CA -0.251 52.457 53.050 -0.570 0.000 0.942 44 N CB 1.162 39.377 38.487 -0.452 0.000 1.115 44 N HN 0.713 nan 8.380 nan 0.000 0.505 45 T N 0.613 114.767 114.554 -0.668 0.000 3.107 45 T HA 0.143 4.612 4.350 0.199 0.000 0.249 45 T C 0.572 174.930 174.700 -0.570 0.000 1.096 45 T CA 0.290 61.816 62.100 -0.958 0.000 1.012 45 T CB -0.425 67.853 68.868 -0.984 0.000 0.977 45 T HN 0.858 nan 8.240 nan 0.000 0.527 46 N N 0.049 118.453 118.700 -0.493 0.000 2.984 46 N HA -0.167 4.692 4.740 0.199 0.000 0.227 46 N C -0.384 174.590 175.510 -0.894 0.000 0.903 46 N CA 1.139 53.854 53.050 -0.558 0.000 0.995 46 N CB -1.061 37.119 38.487 -0.511 0.000 1.065 46 N HN 0.534 nan 8.380 nan 0.000 0.585 47 H N -0.644 118.127 119.070 -0.499 0.000 2.777 47 H HA 0.478 5.156 4.556 0.204 0.000 0.244 47 H C 0.854 175.998 175.328 -0.308 0.000 1.185 47 H CA 0.758 56.479 56.048 -0.546 0.000 0.945 47 H CB 0.809 29.827 29.762 -1.240 0.000 1.994 47 H HN 0.419 nan 8.280 nan 0.000 0.638 48 G N 0.458 109.171 108.800 -0.144 0.000 2.335 48 G HA2 -0.049 4.031 3.960 0.199 0.000 0.592 48 G HA3 -0.049 4.031 3.960 0.199 0.000 0.592 48 G C -1.835 173.040 174.900 -0.042 0.000 1.442 48 G CA -1.099 44.007 45.100 0.009 0.000 0.976 48 G HN 0.259 nan 8.290 nan 0.000 0.652 49 H N -0.814 118.249 119.070 -0.011 0.000 2.499 49 H HA 0.779 5.472 4.556 0.228 0.000 0.340 49 H C 0.343 175.709 175.328 0.063 0.000 1.148 49 H CA -0.366 55.681 56.048 -0.001 0.000 1.215 49 H CB 1.593 31.367 29.762 0.020 0.000 1.529 49 H HN 0.524 nan 8.280 nan 0.000 0.510 50 I N 3.139 123.801 120.570 0.154 0.000 2.439 50 I HA 0.130 4.419 4.170 0.199 0.000 0.285 50 I C -1.149 175.083 176.117 0.192 0.000 1.021 50 I CA -0.862 60.551 61.300 0.188 0.000 1.091 50 I CB 1.647 39.710 38.000 0.105 0.000 1.242 50 I HN 0.186 nan 8.210 nan 0.000 0.439 51 L N 8.247 129.602 121.223 0.219 0.000 2.265 51 L HA 0.519 4.979 4.340 0.199 0.000 0.289 51 L C -1.117 175.897 176.870 0.240 0.000 1.033 51 L CA -0.422 54.548 54.840 0.217 0.000 0.814 51 L CB 1.337 43.530 42.059 0.222 0.000 1.203 51 L HN 0.522 nan 8.230 nan 0.000 0.423 52 L N 5.412 126.775 121.223 0.233 0.000 2.283 52 L HA 0.487 4.946 4.340 0.199 0.000 0.281 52 L C -0.910 176.139 176.870 0.299 0.000 1.033 52 L CA 0.021 55.025 54.840 0.273 0.000 0.848 52 L CB 0.712 42.927 42.059 0.260 0.000 1.226 52 L HN 0.674 nan 8.230 nan 0.000 0.429 53 D N 3.842 124.422 120.400 0.299 0.000 2.443 53 D HA 0.152 4.911 4.640 0.199 0.000 0.221 53 D C -0.316 176.152 176.300 0.280 0.000 1.097 53 D CA -0.199 53.950 54.000 0.249 0.000 0.865 53 D CB 0.444 41.469 40.800 0.375 0.000 1.034 53 D HN 0.539 nan 8.370 nan 0.000 0.511 54 Y N 1.511 121.931 120.300 0.202 0.000 2.720 54 Y HA 0.253 4.917 4.550 0.190 0.000 0.277 54 Y C 1.410 177.447 175.900 0.228 0.000 1.144 54 Y CA -0.365 57.863 58.100 0.214 0.000 1.221 54 Y CB -0.316 38.264 38.460 0.201 0.000 1.163 54 Y HN 0.192 nan 8.280 nan 0.000 0.537 55 S N 0.082 115.821 115.700 0.066 0.000 2.436 55 S HA -0.029 4.560 4.470 0.199 0.000 0.228 55 S C 1.061 175.781 174.600 0.201 0.000 1.014 55 S CA 0.195 58.423 58.200 0.046 0.000 0.950 55 S CB -0.269 63.034 63.200 0.171 0.000 0.784 55 S HN 0.503 nan 8.310 nan 0.000 0.504 56 K N 2.049 122.622 120.400 0.289 0.000 2.968 56 K HA 0.260 4.700 4.320 0.199 0.000 0.249 56 K C -0.442 176.281 176.600 0.206 0.000 1.062 56 K CA -0.122 56.324 56.287 0.265 0.000 1.215 56 K CB -0.222 32.321 32.500 0.072 0.000 1.097 56 K HN 0.355 nan 8.250 nan 0.000 0.462 57 N N 0.870 119.699 118.700 0.215 0.000 2.384 57 N HA 0.243 5.103 4.740 0.199 0.000 0.301 57 N C -0.188 175.474 175.510 0.253 0.000 1.133 57 N CA -0.556 52.677 53.050 0.304 0.000 0.853 57 N CB 1.538 40.260 38.487 0.392 0.000 1.241 57 N HN 0.039 nan 8.380 nan 0.000 0.502 58 L N 2.079 123.542 121.223 0.399 0.000 2.416 58 L HA 0.145 4.604 4.340 0.199 0.000 0.243 58 L C 0.031 177.179 176.870 0.463 0.000 1.373 58 L CA -0.316 54.773 54.840 0.416 0.000 1.227 58 L CB -0.765 41.571 42.059 0.462 0.000 1.428 58 L HN 0.220 nan 8.230 nan 0.000 0.425 59 V N -1.997 118.009 119.914 0.153 0.000 3.159 59 V HA 0.888 5.128 4.120 0.199 0.000 0.308 59 V C -0.126 175.908 176.094 -0.099 0.000 1.190 59 V CA -0.494 61.792 62.300 -0.023 0.000 1.037 59 V CB 2.087 33.856 31.823 -0.090 0.000 1.060 59 V HN 0.313 nan 8.190 nan 0.000 0.437 60 T N -1.668 112.844 114.554 -0.070 0.000 2.864 60 T HA 0.606 5.075 4.350 0.199 0.000 0.289 60 T C 0.502 175.255 174.700 0.089 0.000 1.082 60 T CA -0.068 62.046 62.100 0.024 0.000 1.009 60 T CB 2.006 70.885 68.868 0.018 0.000 1.234 60 T HN 0.664 nan 8.240 nan 0.000 0.526 61 E N 0.451 120.715 120.200 0.107 0.000 2.085 61 E HA -0.136 4.333 4.350 0.199 0.000 0.194 61 E C 1.898 178.227 176.600 -0.452 0.000 0.994 61 E CA 1.755 58.027 56.400 -0.214 0.000 0.801 61 E CB -0.196 29.341 29.700 -0.273 0.000 0.743 61 E HN 0.847 nan 8.360 nan 0.000 0.453 62 E N 0.242 120.247 120.200 -0.325 0.000 2.077 62 E HA -0.183 4.286 4.350 0.199 0.000 0.193 62 E C 1.940 178.254 176.600 -0.477 0.000 0.989 62 E CA 1.362 57.555 56.400 -0.345 0.000 0.800 62 E CB 0.109 29.657 29.700 -0.253 0.000 0.746 62 E HN 0.104 nan 8.360 nan 0.000 0.452 63 V N 1.173 120.716 119.914 -0.618 0.000 2.295 63 V HA -0.300 3.939 4.120 0.199 0.000 0.246 63 V C 2.512 178.285 176.094 -0.535 0.000 1.049 63 V CA 1.673 63.494 62.300 -0.798 0.000 1.024 63 V CB -0.452 30.815 31.823 -0.927 0.000 0.648 63 V HN 0.411 nan 8.190 nan 0.000 0.447 64 M N -0.772 118.619 119.600 -0.349 0.000 2.149 64 M HA -0.174 4.425 4.480 0.199 0.000 0.261 64 M C 2.079 178.310 176.300 -0.115 0.000 1.064 64 M CA 1.729 56.902 55.300 -0.211 0.000 1.102 64 M CB -1.512 31.026 32.600 -0.105 0.000 1.369 64 M HN 0.518 nan 8.290 nan 0.000 0.408 65 H N -0.748 118.197 119.070 -0.208 0.000 2.321 65 H HA -0.055 4.619 4.556 0.197 0.000 0.300 65 H C 2.201 177.426 175.328 -0.172 0.000 1.087 65 H CA 1.198 57.144 56.048 -0.171 0.000 1.319 65 H CB 0.079 29.748 29.762 -0.155 0.000 1.379 65 H HN 0.302 nan 8.280 nan 0.000 0.501 66 M N 0.270 119.814 119.600 -0.093 0.000 2.159 66 M HA -0.167 4.432 4.480 0.199 0.000 0.263 66 M C 2.173 178.410 176.300 -0.106 0.000 1.063 66 M CA 1.252 56.479 55.300 -0.123 0.000 1.110 66 M CB -0.102 32.371 32.600 -0.211 0.000 1.374 66 M HN 0.262 nan 8.290 nan 0.000 0.411 67 L N -0.141 120.990 121.223 -0.154 0.000 2.056 67 L HA -0.175 4.284 4.340 0.199 0.000 0.207 67 L C 2.305 179.132 176.870 -0.072 0.000 1.078 67 L CA 0.981 55.753 54.840 -0.113 0.000 0.749 67 L CB -0.515 41.439 42.059 -0.175 0.000 0.901 67 L HN 0.325 nan 8.230 nan 0.000 0.433 68 L N -0.637 120.543 121.223 -0.072 0.000 2.141 68 L HA -0.189 4.271 4.340 0.199 0.000 0.209 68 L C 2.123 178.959 176.870 -0.057 0.000 1.094 68 L CA 0.807 55.611 54.840 -0.060 0.000 0.763 68 L CB -0.579 41.448 42.059 -0.053 0.000 0.908 68 L HN 0.276 nan 8.230 nan 0.000 0.437 69 D N 0.125 120.492 120.400 -0.056 0.000 2.144 69 D HA -0.169 4.590 4.640 0.199 0.000 0.199 69 D C 2.078 178.362 176.300 -0.026 0.000 0.984 69 D CA 1.008 54.978 54.000 -0.049 0.000 0.834 69 D CB -0.021 40.751 40.800 -0.046 0.000 0.955 69 D HN 0.146 nan 8.370 nan 0.000 0.465 70 L N 0.981 122.197 121.223 -0.012 0.000 2.056 70 L HA -0.036 4.423 4.340 0.199 0.000 0.207 70 L C 2.120 178.982 176.870 -0.013 0.000 1.078 70 L CA 1.643 56.493 54.840 0.016 0.000 0.749 70 L CB -0.763 41.331 42.059 0.059 0.000 0.901 70 L HN -0.043 nan 8.230 nan 0.000 0.433 71 A N -0.580 122.221 122.820 -0.032 0.000 1.933 71 A HA -0.275 4.164 4.320 0.199 0.000 0.218 71 A C 2.461 180.020 177.584 -0.041 0.000 1.175 71 A CA 2.061 54.071 52.037 -0.045 0.000 0.628 71 A CB -0.590 18.386 19.000 -0.041 0.000 0.814 71 A HN 0.522 nan 8.150 nan 0.000 0.444 72 K N 0.247 120.622 120.400 -0.041 0.000 2.031 72 K HA -0.114 4.325 4.320 0.199 0.000 0.205 72 K C 2.192 178.772 176.600 -0.034 0.000 1.049 72 K CA 1.617 57.878 56.287 -0.044 0.000 0.939 72 K CB -0.202 32.266 32.500 -0.053 0.000 0.717 72 K HN 0.571 nan 8.250 nan 0.000 0.438 73 S N 0.124 115.809 115.700 -0.024 0.000 2.474 73 S HA -0.007 4.582 4.470 0.199 0.000 0.235 73 S C 1.549 176.140 174.600 -0.014 0.000 0.997 73 S CA 0.357 58.549 58.200 -0.013 0.000 0.949 73 S CB -0.060 63.142 63.200 0.003 0.000 0.766 73 S HN 0.214 nan 8.310 nan 0.000 0.517 74 R N 0.969 121.454 120.500 -0.025 0.000 2.317 74 R HA 0.277 4.737 4.340 0.199 0.000 0.208 74 R C 1.396 177.676 176.300 -0.034 0.000 0.914 74 R CA 0.440 56.519 56.100 -0.035 0.000 1.060 74 R CB -0.819 29.444 30.300 -0.061 0.000 1.015 74 R HN 0.616 nan 8.270 nan 0.000 0.498 75 G N 1.083 109.866 108.800 -0.028 0.000 2.246 75 G HA2 -0.257 3.822 3.960 0.199 0.000 0.273 75 G HA3 -0.257 3.822 3.960 0.199 0.000 0.273 75 G C 0.905 175.796 174.900 -0.014 0.000 1.055 75 G CA 0.391 45.478 45.100 -0.020 0.000 0.851 75 G HN 0.181 nan 8.290 nan 0.000 0.500 76 V N -0.273 119.628 119.914 -0.022 0.000 2.287 76 V HA -0.219 4.020 4.120 0.199 0.000 0.248 76 V C 2.642 178.763 176.094 0.045 0.000 1.053 76 V CA 2.921 65.226 62.300 0.009 0.000 1.027 76 V CB -0.481 31.351 31.823 0.015 0.000 0.646 76 V HN 0.683 nan 8.190 nan 0.000 0.447 77 E N 0.163 120.346 120.200 -0.028 0.000 2.051 77 E HA -0.207 4.262 4.350 0.199 0.000 0.192 77 E C 2.333 178.897 176.600 -0.059 0.000 0.991 77 E CA 1.370 57.714 56.400 -0.092 0.000 0.799 77 E CB -0.385 29.239 29.700 -0.126 0.000 0.748 77 E HN 0.603 nan 8.360 nan 0.000 0.449 78 A N 1.444 124.248 122.820 -0.026 0.000 1.902 78 A HA -0.135 4.305 4.320 0.199 0.000 0.217 78 A C 2.398 180.014 177.584 0.053 0.000 1.181 78 A CA 1.745 53.778 52.037 -0.008 0.000 0.623 78 A CB -0.710 18.286 19.000 -0.005 0.000 0.818 78 A HN 0.301 nan 8.150 nan 0.000 0.443 79 A N -0.326 122.562 122.820 0.113 0.000 1.902 79 A HA -0.181 4.259 4.320 0.199 0.000 0.217 79 A C 2.256 180.087 177.584 0.411 0.000 1.181 79 A CA 1.777 53.962 52.037 0.247 0.000 0.623 79 A CB -0.533 18.596 19.000 0.216 0.000 0.818 79 A HN 0.576 nan 8.150 nan 0.000 0.443 80 R N -0.397 120.324 120.500 0.369 0.000 2.080 80 R HA -0.174 4.285 4.340 0.199 0.000 0.236 80 R C 1.934 178.281 176.300 0.078 0.000 1.137 80 R CA 1.780 58.013 56.100 0.222 0.000 0.943 80 R CB -0.296 29.935 30.300 -0.115 0.000 0.846 80 R HN 0.453 nan 8.270 nan 0.000 0.431 81 E N 0.465 120.643 120.200 -0.036 0.000 2.118 81 E HA -0.147 4.322 4.350 0.199 0.000 0.195 81 E C 2.072 178.679 176.600 0.012 0.000 0.992 81 E CA 1.411 57.774 56.400 -0.062 0.000 0.804 81 E CB -0.311 29.328 29.700 -0.102 0.000 0.741 81 E HN 0.304 nan 8.360 nan 0.000 0.458 82 S N 0.931 116.654 115.700 0.038 0.000 2.370 82 S HA -0.163 4.426 4.470 0.199 0.000 0.226 82 S C 1.910 176.505 174.600 -0.009 0.000 1.033 82 S CA 1.487 59.703 58.200 0.028 0.000 1.011 82 S CB -0.213 63.029 63.200 0.069 0.000 0.852 82 S HN 0.308 nan 8.310 nan 0.000 0.457 83 M N 0.109 119.704 119.600 -0.008 0.000 2.099 83 M HA -0.074 4.525 4.480 0.199 0.000 0.262 83 M C 1.521 177.662 176.300 -0.265 0.000 1.067 83 M CA 1.681 56.867 55.300 -0.191 0.000 1.124 83 M CB -0.247 32.128 32.600 -0.374 0.000 1.353 83 M HN 0.250 nan 8.290 nan 0.000 0.410 84 F N 1.116 120.899 119.950 -0.279 0.000 2.269 84 F HA -0.166 4.481 4.527 0.201 0.000 0.301 84 F C 1.918 177.577 175.800 -0.236 0.000 1.082 84 F CA 1.181 59.021 58.000 -0.267 0.000 1.360 84 F CB -0.623 38.228 39.000 -0.249 0.000 1.041 84 F HN 0.319 nan 8.300 nan 0.000 0.512 85 N N -0.268 118.413 118.700 -0.033 0.000 2.461 85 N HA 0.074 4.933 4.740 0.199 0.000 0.188 85 N C 1.641 177.061 175.510 -0.150 0.000 1.134 85 N CA 1.030 54.029 53.050 -0.085 0.000 0.878 85 N CB 0.126 38.575 38.487 -0.063 0.000 0.972 85 N HN 0.310 nan 8.380 nan 0.000 0.456 86 G N 0.934 109.607 108.800 -0.210 0.000 2.136 86 G HA2 -0.270 3.809 3.960 0.199 0.000 0.242 86 G HA3 -0.270 3.809 3.960 0.199 0.000 0.242 86 G C -0.174 174.619 174.900 -0.177 0.000 0.989 86 G CA -0.176 44.764 45.100 -0.266 0.000 0.682 86 G HN 0.389 nan 8.290 nan 0.000 0.522 87 E N -0.073 120.057 120.200 -0.117 0.000 2.383 87 E HA 0.338 4.808 4.350 0.199 0.000 0.264 87 E C 0.540 177.113 176.600 -0.044 0.000 1.050 87 E CA -0.228 56.136 56.400 -0.060 0.000 0.896 87 E CB 0.492 30.176 29.700 -0.027 0.000 0.982 87 E HN 0.201 nan 8.360 nan 0.000 0.424 88 K N 3.085 123.482 120.400 -0.005 0.000 2.408 88 K HA 0.023 4.463 4.320 0.199 0.000 0.231 88 K C 1.036 177.672 176.600 0.060 0.000 1.261 88 K CA -0.015 56.290 56.287 0.030 0.000 1.193 88 K CB -0.487 32.044 32.500 0.053 0.000 1.431 88 K HN 0.472 nan 8.250 nan 0.000 0.243 89 I N -2.183 118.420 120.570 0.054 0.000 2.676 89 I HA -0.139 4.150 4.170 0.199 0.000 0.259 89 I C 0.688 176.913 176.117 0.181 0.000 1.194 89 I CA 0.785 62.157 61.300 0.120 0.000 1.473 89 I CB -0.144 37.947 38.000 0.152 0.000 1.096 89 I HN 0.290 nan 8.210 nan 0.000 0.443 90 N N 2.298 121.095 118.700 0.162 0.000 2.971 90 N HA 0.002 4.862 4.740 0.199 0.000 0.294 90 N C 1.433 177.061 175.510 0.195 0.000 1.210 90 N CA 0.372 53.558 53.050 0.227 0.000 1.157 90 N CB 0.404 39.014 38.487 0.205 0.000 1.450 90 N HN 0.443 nan 8.380 nan 0.000 0.527 91 S N 0.790 116.604 115.700 0.190 0.000 2.374 91 S HA -0.266 4.324 4.470 0.199 0.000 0.227 91 S C 2.093 176.803 174.600 0.183 0.000 1.037 91 S CA 1.951 60.248 58.200 0.162 0.000 1.024 91 S CB -0.994 62.290 63.200 0.140 0.000 0.861 91 S HN 0.684 nan 8.310 nan 0.000 0.456 92 T N 0.281 114.981 114.554 0.244 0.000 2.833 92 T HA -0.035 4.434 4.350 0.199 0.000 0.269 92 T C 1.435 176.357 174.700 0.370 0.000 1.054 92 T CA 1.401 63.695 62.100 0.323 0.000 1.135 92 T CB -0.498 68.699 68.868 0.549 0.000 0.869 92 T HN 0.655 nan 8.240 nan 0.000 0.466 93 E N 0.614 121.003 120.200 0.316 0.000 2.498 93 E HA 0.151 4.620 4.350 0.199 0.000 0.203 93 E C -0.194 176.520 176.600 0.190 0.000 1.013 93 E CA -0.036 56.527 56.400 0.273 0.000 0.927 93 E CB 0.189 30.008 29.700 0.199 0.000 1.012 93 E HN 0.462 nan 8.360 nan 0.000 0.482 94 D N 1.729 122.231 120.400 0.171 0.000 2.904 94 D HA -0.202 4.558 4.640 0.199 0.000 0.231 94 D C -0.920 175.459 176.300 0.131 0.000 1.185 94 D CA 0.897 54.977 54.000 0.133 0.000 0.783 94 D CB -0.555 40.313 40.800 0.113 0.000 0.961 94 D HN 0.145 nan 8.370 nan 0.000 0.409 95 R N -0.121 120.461 120.500 0.137 0.000 2.774 95 R HA 0.851 5.311 4.340 0.199 0.000 0.272 95 R C -0.269 176.102 176.300 0.119 0.000 1.000 95 R CA -0.569 55.622 56.100 0.150 0.000 0.906 95 R CB 1.448 31.854 30.300 0.176 0.000 1.227 95 R HN 0.138 nan 8.270 nan 0.000 0.468 96 A N 0.915 123.811 122.820 0.127 0.000 2.272 96 A HA 0.569 5.008 4.320 0.199 0.000 0.275 96 A C -0.477 177.119 177.584 0.020 0.000 1.096 96 A CA -0.420 51.622 52.037 0.008 0.000 0.822 96 A CB 0.831 19.761 19.000 -0.116 0.000 1.088 96 A HN 0.327 nan 8.150 nan 0.000 0.495 97 V N 1.355 121.162 119.914 -0.179 0.000 2.340 97 V HA 0.291 4.530 4.120 0.199 0.000 0.277 97 V C -0.383 175.461 176.094 -0.416 0.000 1.017 97 V CA 0.151 62.258 62.300 -0.321 0.000 0.820 97 V CB 0.498 31.827 31.823 -0.824 0.000 1.028 97 V HN 0.687 nan 8.190 nan 0.000 0.436 98 L N 4.855 125.974 121.223 -0.172 0.000 3.083 98 L HA 0.317 4.776 4.340 0.199 0.000 0.286 98 L C 1.759 178.568 176.870 -0.102 0.000 1.307 98 L CA -0.304 54.324 54.840 -0.354 0.000 0.897 98 L CB 0.066 41.684 42.059 -0.737 0.000 1.306 98 L HN 0.781 nan 8.230 nan 0.000 0.569 99 H N -0.598 118.468 119.070 -0.007 0.000 2.489 99 H HA -0.085 4.589 4.556 0.198 0.000 0.293 99 H C 1.952 177.217 175.328 -0.105 0.000 1.066 99 H CA 1.569 57.675 56.048 0.097 0.000 1.305 99 H CB -0.535 29.314 29.762 0.145 0.000 1.386 99 H HN 0.454 nan 8.280 nan 0.000 0.551 100 V N -0.580 119.021 119.914 -0.521 0.000 2.626 100 V HA 0.032 4.271 4.120 0.199 0.000 0.252 100 V C 2.709 178.649 176.094 -0.257 0.000 1.067 100 V CA 1.206 63.236 62.300 -0.450 0.000 1.081 100 V CB -1.027 30.300 31.823 -0.827 0.000 0.686 100 V HN 0.460 nan 8.190 nan 0.000 0.468 101 A N 0.619 123.289 122.820 -0.250 0.000 1.968 101 A HA 0.124 4.563 4.320 0.199 0.000 0.217 101 A C 2.177 179.757 177.584 -0.008 0.000 1.169 101 A CA 1.553 53.480 52.037 -0.183 0.000 0.638 101 A CB -0.569 18.202 19.000 -0.381 0.000 0.812 101 A HN 0.564 nan 8.150 nan 0.000 0.446 102 L N -0.231 121.075 121.223 0.138 0.000 2.127 102 L HA -0.159 4.301 4.340 0.199 0.000 0.211 102 L C 2.320 179.272 176.870 0.136 0.000 1.089 102 L CA 1.573 56.572 54.840 0.264 0.000 0.757 102 L CB -0.332 41.971 42.059 0.407 0.000 0.899 102 L HN 0.561 nan 8.230 nan 0.000 0.434 103 R N -0.748 119.752 120.500 -0.000 0.000 2.613 103 R HA 0.093 4.552 4.340 0.199 0.000 0.361 103 R C 0.162 176.358 176.300 -0.174 0.000 1.072 103 R CA -0.219 55.834 56.100 -0.077 0.000 1.089 103 R CB -0.689 29.510 30.300 -0.170 0.000 1.343 103 R HN 0.030 nan 8.270 nan 0.000 0.571 104 N N 2.265 120.863 118.700 -0.171 0.000 2.671 104 N HA 0.007 4.867 4.740 0.199 0.000 0.274 104 N C 0.548 175.793 175.510 -0.442 0.000 1.188 104 N CA -0.184 52.672 53.050 -0.324 0.000 1.065 104 N CB 0.505 38.920 38.487 -0.121 0.000 1.415 104 N HN 0.070 nan 8.380 nan 0.000 0.511 105 R N 0.820 120.856 120.500 -0.774 0.000 2.189 105 R HA 0.007 4.467 4.340 0.199 0.000 0.223 105 R C 1.097 177.261 176.300 -0.227 0.000 1.092 105 R CA 0.542 56.414 56.100 -0.379 0.000 0.989 105 R CB -0.584 29.566 30.300 -0.250 0.000 0.876 105 R HN 0.399 nan 8.270 nan 0.000 0.457 106 S N 1.169 116.712 115.700 -0.262 0.000 2.489 106 S HA -0.015 4.574 4.470 0.199 0.000 0.228 106 S C 0.480 175.069 174.600 -0.020 0.000 0.995 106 S CA 0.130 58.330 58.200 -0.001 0.000 0.934 106 S CB -0.097 63.206 63.200 0.171 0.000 0.771 106 S HN 0.327 nan 8.310 nan 0.000 0.522 107 N N 0.755 119.416 118.700 -0.065 0.000 2.778 107 N HA -0.130 4.729 4.740 0.199 0.000 0.249 107 N C -0.585 174.908 175.510 -0.028 0.000 1.069 107 N CA 1.015 54.040 53.050 -0.041 0.000 0.831 107 N CB -1.972 36.504 38.487 -0.018 0.000 1.142 107 N HN 0.345 nan 8.380 nan 0.000 0.573 108 T N 2.978 117.523 114.554 -0.016 0.000 2.908 108 T HA 0.123 4.593 4.350 0.199 0.000 0.301 108 T C -1.882 172.793 174.700 -0.042 0.000 1.019 108 T CA -0.398 61.691 62.100 -0.018 0.000 1.152 108 T CB 0.934 69.801 68.868 -0.003 0.000 0.966 108 T HN 0.122 nan 8.240 nan 0.000 0.540 109 P HA 0.164 nan 4.420 nan 0.000 0.266 109 P C -0.720 176.524 177.300 -0.095 0.000 1.195 109 P CA 0.135 63.193 63.100 -0.071 0.000 0.768 109 P CB 0.466 32.131 31.700 -0.059 0.000 0.838 110 I N 2.878 123.365 120.570 -0.138 0.000 2.517 110 I HA 0.162 4.451 4.170 0.199 0.000 0.280 110 I C 0.121 176.110 176.117 -0.214 0.000 1.061 110 I CA -1.029 60.160 61.300 -0.185 0.000 1.091 110 I CB 2.084 39.928 38.000 -0.259 0.000 1.205 110 I HN 0.075 nan 8.210 nan 0.000 0.459 111 V N 7.907 127.722 119.914 -0.165 0.000 2.498 111 V HA 0.402 4.641 4.120 0.199 0.000 0.279 111 V C -0.202 175.792 176.094 -0.167 0.000 1.048 111 V CA 0.091 62.303 62.300 -0.146 0.000 0.967 111 V CB 1.713 33.479 31.823 -0.096 0.000 0.988 111 V HN 0.438 nan 8.190 nan 0.000 0.473 112 V N 6.307 126.122 119.914 -0.166 0.000 2.383 112 V HA 0.489 4.729 4.120 0.199 0.000 0.264 112 V C -0.240 175.820 176.094 -0.057 0.000 1.001 112 V CA -0.282 61.930 62.300 -0.147 0.000 0.828 112 V CB 0.515 32.196 31.823 -0.235 0.000 1.069 112 V HN 1.040 nan 8.190 nan 0.000 0.451 113 D N 3.062 123.439 120.400 -0.037 0.000 3.092 113 D HA -0.084 4.675 4.640 0.199 0.000 0.214 113 D C 1.100 177.396 176.300 -0.006 0.000 1.081 113 D CA 1.854 55.851 54.000 -0.005 0.000 0.874 113 D CB -1.218 39.597 40.800 0.025 0.000 1.085 113 D HN 1.015 nan 8.370 nan 0.000 0.441 114 G N -0.474 108.313 108.800 -0.021 0.000 2.397 114 G HA2 -0.285 3.795 3.960 0.199 0.000 0.211 114 G HA3 -0.285 3.795 3.960 0.199 0.000 0.211 114 G C 0.324 175.209 174.900 -0.025 0.000 1.077 114 G CA 0.346 45.436 45.100 -0.017 0.000 0.649 114 G HN 0.524 nan 8.290 nan 0.000 0.511 115 K N 1.034 121.417 120.400 -0.029 0.000 2.318 115 K HA 0.507 4.946 4.320 0.199 0.000 0.249 115 K C -1.166 175.394 176.600 -0.067 0.000 0.942 115 K CA -0.664 55.602 56.287 -0.036 0.000 0.808 115 K CB 1.668 34.158 32.500 -0.017 0.000 1.189 115 K HN 0.093 nan 8.250 nan 0.000 0.428 116 D N 2.025 122.383 120.400 -0.070 0.000 2.488 116 D HA -0.053 4.707 4.640 0.199 0.000 0.238 116 D C 0.951 177.179 176.300 -0.120 0.000 1.138 116 D CA 0.011 53.951 54.000 -0.100 0.000 0.873 116 D CB 1.341 42.096 40.800 -0.075 0.000 1.183 116 D HN 0.299 nan 8.370 nan 0.000 0.458 117 V N 1.763 121.562 119.914 -0.192 0.000 3.354 117 V HA -0.051 4.188 4.120 0.199 0.000 0.258 117 V C 2.026 178.008 176.094 -0.187 0.000 1.159 117 V CA 0.139 62.300 62.300 -0.232 0.000 1.125 117 V CB -0.373 31.204 31.823 -0.411 0.000 0.774 117 V HN 0.430 nan 8.190 nan 0.000 0.464 118 M N 0.905 120.421 119.600 -0.139 0.000 2.106 118 M HA -0.028 4.572 4.480 0.199 0.000 0.259 118 M C 0.226 176.516 176.300 -0.017 0.000 1.068 118 M CA 1.747 57.003 55.300 -0.073 0.000 1.100 118 M CB -2.701 29.863 32.600 -0.061 0.000 1.351 118 M HN 0.327 nan 8.290 nan 0.000 0.404 119 P HA -0.196 nan 4.420 nan 0.000 0.215 119 P C 1.274 178.616 177.300 0.070 0.000 1.157 119 P CA 1.635 64.752 63.100 0.028 0.000 0.874 119 P CB -0.302 31.409 31.700 0.018 0.000 0.790 120 E N -0.755 119.474 120.200 0.049 0.000 2.208 120 E HA -0.092 4.377 4.350 0.199 0.000 0.193 120 E C 1.746 178.503 176.600 0.261 0.000 0.988 120 E CA 0.975 57.470 56.400 0.159 0.000 0.828 120 E CB -1.082 28.695 29.700 0.129 0.000 0.763 120 E HN 0.026 nan 8.360 nan 0.000 0.478 121 V N 2.447 122.418 119.914 0.096 0.000 2.307 121 V HA -0.241 3.998 4.120 0.199 0.000 0.245 121 V C 1.990 178.271 176.094 0.312 0.000 1.045 121 V CA 1.993 64.451 62.300 0.262 0.000 1.024 121 V CB -0.627 31.286 31.823 0.151 0.000 0.651 121 V HN 0.356 nan 8.190 nan 0.000 0.449 122 N N 0.139 118.961 118.700 0.203 0.000 2.331 122 N HA -0.143 4.716 4.740 0.199 0.000 0.180 122 N C 1.819 177.452 175.510 0.206 0.000 1.019 122 N CA 0.978 54.145 53.050 0.195 0.000 0.881 122 N CB -0.215 38.349 38.487 0.128 0.000 0.972 122 N HN 0.360 nan 8.380 nan 0.000 0.435 123 K N 1.464 121.988 120.400 0.207 0.000 2.025 123 K HA 0.028 4.467 4.320 0.199 0.000 0.207 123 K C 1.822 178.556 176.600 0.224 0.000 1.049 123 K CA 0.825 57.225 56.287 0.188 0.000 0.933 123 K CB -0.530 32.076 32.500 0.177 0.000 0.714 123 K HN -0.121 nan 8.250 nan 0.000 0.438 124 V N 1.296 121.397 119.914 0.312 0.000 2.295 124 V HA -0.225 4.014 4.120 0.199 0.000 0.246 124 V C 2.383 178.681 176.094 0.340 0.000 1.049 124 V CA 1.769 64.265 62.300 0.326 0.000 1.024 124 V CB -0.460 31.597 31.823 0.390 0.000 0.648 124 V HN 0.268 nan 8.190 nan 0.000 0.447 125 L N -0.124 121.323 121.223 0.373 0.000 2.013 125 L HA -0.239 4.221 4.340 0.199 0.000 0.212 125 L C 2.453 179.460 176.870 0.230 0.000 1.073 125 L CA 1.824 56.932 54.840 0.448 0.000 0.753 125 L CB -0.787 41.566 42.059 0.490 0.000 0.890 125 L HN 0.374 nan 8.230 nan 0.000 0.432 126 D N -0.181 120.309 120.400 0.150 0.000 2.117 126 D HA -0.206 4.553 4.640 0.199 0.000 0.197 126 D C 2.092 178.406 176.300 0.024 0.000 0.987 126 D CA 1.169 55.183 54.000 0.024 0.000 0.829 126 D CB -0.056 40.782 40.800 0.064 0.000 0.961 126 D HN 0.264 nan 8.370 nan 0.000 0.460 127 K N 0.249 120.729 120.400 0.134 0.000 2.057 127 K HA -0.104 4.335 4.320 0.199 0.000 0.207 127 K C 2.219 179.020 176.600 0.335 0.000 1.049 127 K CA 0.878 57.288 56.287 0.204 0.000 0.931 127 K CB -0.016 32.596 32.500 0.188 0.000 0.714 127 K HN 0.040 nan 8.250 nan 0.000 0.440 128 M N 0.662 120.438 119.600 0.293 0.000 2.067 128 M HA -0.193 4.407 4.480 0.199 0.000 0.260 128 M C 2.397 178.679 176.300 -0.029 0.000 1.069 128 M CA 1.787 57.191 55.300 0.172 0.000 1.117 128 M CB -0.274 32.464 32.600 0.230 0.000 1.334 128 M HN 0.095 nan 8.290 nan 0.000 0.407 129 K N 0.519 120.619 120.400 -0.500 0.000 2.057 129 K HA -0.150 4.290 4.320 0.199 0.000 0.207 129 K C 1.964 178.415 176.600 -0.249 0.000 1.049 129 K CA 1.500 57.308 56.287 -0.800 0.000 0.931 129 K CB -0.119 31.557 32.500 -1.375 0.000 0.714 129 K HN 0.282 nan 8.250 nan 0.000 0.440 130 A N 0.917 123.680 122.820 -0.096 0.000 1.883 130 A HA -0.193 4.247 4.320 0.199 0.000 0.217 130 A C 2.023 179.678 177.584 0.118 0.000 1.186 130 A CA 1.578 53.634 52.037 0.032 0.000 0.624 130 A CB -0.908 18.146 19.000 0.091 0.000 0.822 130 A HN 0.540 nan 8.150 nan 0.000 0.444 131 F N 0.253 120.239 119.950 0.061 0.000 2.102 131 F HA -0.212 4.434 4.527 0.198 0.000 0.298 131 F C 2.557 178.324 175.800 -0.054 0.000 1.105 131 F CA 1.414 59.456 58.000 0.070 0.000 1.239 131 F CB -0.933 38.167 39.000 0.168 0.000 0.991 131 F HN 0.366 nan 8.300 nan 0.000 0.474 132 C N 0.902 120.098 119.300 -0.173 0.000 2.413 132 C HA -0.202 4.378 4.460 0.199 0.000 0.277 132 C C 2.854 177.712 174.990 -0.219 0.000 1.265 132 C CA 1.668 60.528 59.018 -0.263 0.000 1.752 132 C CB -1.366 26.340 27.740 -0.058 0.000 1.998 132 C HN 0.635 nan 8.230 nan 0.000 0.489 133 Q N 0.656 120.380 119.800 -0.126 0.000 2.084 133 Q HA -0.125 4.334 4.340 0.199 0.000 0.202 133 Q C 2.553 178.507 176.000 -0.076 0.000 0.978 133 Q CA 1.579 57.338 55.803 -0.073 0.000 0.844 133 Q CB -0.459 28.258 28.738 -0.035 0.000 0.898 133 Q HN 0.685 nan 8.270 nan 0.000 0.426 134 R N -0.472 119.983 120.500 -0.076 0.000 2.081 134 R HA -0.099 4.360 4.340 0.199 0.000 0.235 134 R C 2.374 178.643 176.300 -0.053 0.000 1.131 134 R CA 1.496 57.595 56.100 -0.002 0.000 0.960 134 R CB -0.556 29.834 30.300 0.150 0.000 0.856 134 R HN 0.159 nan 8.270 nan 0.000 0.436 135 V N 1.359 121.094 119.914 -0.297 0.000 2.307 135 V HA -0.219 4.020 4.120 0.199 0.000 0.245 135 V C 2.534 178.529 176.094 -0.165 0.000 1.045 135 V CA 1.591 63.699 62.300 -0.319 0.000 1.024 135 V CB -0.480 30.945 31.823 -0.664 0.000 0.651 135 V HN 0.276 nan 8.190 nan 0.000 0.449 136 R N 1.144 121.550 120.500 -0.157 0.000 2.073 136 R HA -0.121 4.338 4.340 0.199 0.000 0.234 136 R C 2.535 178.809 176.300 -0.043 0.000 1.134 136 R CA 1.848 57.896 56.100 -0.087 0.000 0.952 136 R CB -1.137 29.121 30.300 -0.071 0.000 0.850 136 R HN 0.697 nan 8.270 nan 0.000 0.433 137 S N -0.540 115.141 115.700 -0.031 0.000 2.547 137 S HA 0.019 4.609 4.470 0.199 0.000 0.235 137 S C 1.423 176.026 174.600 0.005 0.000 0.980 137 S CA 0.817 59.012 58.200 -0.008 0.000 0.941 137 S CB 0.034 63.234 63.200 0.000 0.000 0.763 137 S HN 0.577 nan 8.310 nan 0.000 0.532 138 G N 1.152 109.957 108.800 0.008 0.000 2.143 138 G HA2 -0.304 3.776 3.960 0.199 0.000 0.249 138 G HA3 -0.304 3.776 3.960 0.199 0.000 0.249 138 G C 0.440 175.368 174.900 0.047 0.000 0.981 138 G CA 0.454 45.572 45.100 0.029 0.000 0.665 138 G HN 0.548 nan 8.290 nan 0.000 0.528 139 D N -0.741 119.692 120.400 0.055 0.000 2.103 139 D HA -0.052 4.707 4.640 0.199 0.000 0.199 139 D C 1.106 177.464 176.300 0.097 0.000 0.978 139 D CA 0.533 54.570 54.000 0.062 0.000 0.829 139 D CB -0.121 40.717 40.800 0.063 0.000 0.981 139 D HN 0.396 nan 8.370 nan 0.000 0.464 140 W N 2.993 124.258 121.300 -0.058 0.000 2.565 140 W HA 0.194 4.974 4.660 0.200 0.000 0.325 140 W C -0.495 175.997 176.519 -0.045 0.000 1.408 140 W CA -0.324 56.993 57.345 -0.046 0.000 1.350 140 W CB 0.057 29.458 29.460 -0.099 0.000 1.426 140 W HN -0.146 nan 8.180 nan 0.000 0.538 141 K N 4.897 125.242 120.400 -0.092 0.000 2.118 141 K HA 0.747 5.187 4.320 0.199 0.000 0.254 141 K C 0.393 176.969 176.600 -0.041 0.000 0.961 141 K CA -0.756 55.520 56.287 -0.019 0.000 0.876 141 K CB 0.427 32.897 32.500 -0.050 0.000 1.077 141 K HN 0.338 nan 8.250 nan 0.000 0.440 142 G N 0.119 108.959 108.800 0.066 0.000 2.599 142 G HA2 0.151 4.230 3.960 0.199 0.000 0.264 142 G HA3 0.151 4.230 3.960 0.199 0.000 0.264 142 G C 0.235 175.296 174.900 0.268 0.000 1.200 142 G CA -0.556 44.636 45.100 0.153 0.000 0.896 142 G HN 0.868 nan 8.290 nan 0.000 0.536 143 Y N -1.583 119.039 120.300 0.536 0.000 2.465 143 Y HA -0.063 4.606 4.550 0.199 0.000 0.289 143 Y C 2.049 178.061 175.900 0.186 0.000 1.150 143 Y CA 1.516 59.819 58.100 0.338 0.000 1.293 143 Y CB -0.273 38.449 38.460 0.436 0.000 0.977 143 Y HN 0.362 nan 8.280 nan 0.000 0.556 144 T N -3.952 110.355 114.554 -0.412 0.000 3.129 144 T HA 0.555 5.025 4.350 0.199 0.000 0.267 144 T C 1.392 176.005 174.700 -0.145 0.000 1.018 144 T CA 0.074 61.946 62.100 -0.380 0.000 0.903 144 T CB 0.139 68.668 68.868 -0.566 0.000 1.067 144 T HN 0.803 nan 8.240 nan 0.000 0.549 145 G N 1.565 110.327 108.800 -0.063 0.000 2.194 145 G HA2 -0.227 3.853 3.960 0.199 0.000 0.236 145 G HA3 -0.227 3.853 3.960 0.199 0.000 0.236 145 G C -0.087 174.810 174.900 -0.005 0.000 0.987 145 G CA -0.080 45.002 45.100 -0.029 0.000 0.635 145 G HN 0.730 nan 8.290 nan 0.000 0.520 146 K N 1.542 121.948 120.400 0.010 0.000 2.098 146 K HA 0.620 5.060 4.320 0.199 0.000 0.257 146 K C 0.784 177.422 176.600 0.065 0.000 0.999 146 K CA 0.067 56.375 56.287 0.035 0.000 0.924 146 K CB 0.653 33.178 32.500 0.042 0.000 1.028 146 K HN 0.365 nan 8.250 nan 0.000 0.466 147 T N -1.171 113.418 114.554 0.059 0.000 2.910 147 T HA 0.314 4.783 4.350 0.199 0.000 0.293 147 T C 0.498 175.244 174.700 0.076 0.000 1.015 147 T CA -0.935 61.205 62.100 0.067 0.000 1.094 147 T CB 0.273 69.167 68.868 0.043 0.000 0.968 147 T HN 0.243 nan 8.240 nan 0.000 0.521 148 I N 3.830 124.443 120.570 0.072 0.000 2.598 148 I HA 0.099 4.389 4.170 0.199 0.000 0.284 148 I C 1.784 177.915 176.117 0.023 0.000 1.140 148 I CA 0.178 61.504 61.300 0.045 0.000 1.420 148 I CB 0.404 38.393 38.000 -0.019 0.000 1.387 148 I HN 1.083 nan 8.210 nan 0.000 0.553 149 T N 0.769 115.347 114.554 0.040 0.000 2.971 149 T HA 0.234 4.703 4.350 0.199 0.000 0.252 149 T C 0.195 174.931 174.700 0.060 0.000 1.022 149 T CA -0.162 61.968 62.100 0.049 0.000 0.980 149 T CB 0.186 69.096 68.868 0.070 0.000 1.044 149 T HN 0.478 nan 8.240 nan 0.000 0.501 150 D N 0.364 120.779 120.400 0.025 0.000 2.896 150 D HA 0.603 5.363 4.640 0.199 0.000 0.241 150 D C -1.553 174.680 176.300 -0.113 0.000 1.188 150 D CA -0.474 53.547 54.000 0.034 0.000 0.879 150 D CB 2.701 43.508 40.800 0.011 0.000 1.553 150 D HN 0.018 nan 8.370 nan 0.000 0.515 151 V N 2.736 122.600 119.914 -0.085 0.000 2.384 151 V HA 0.477 4.716 4.120 0.199 0.000 0.287 151 V C -0.642 175.288 176.094 -0.273 0.000 1.020 151 V CA -0.640 61.526 62.300 -0.223 0.000 0.850 151 V CB 1.201 32.909 31.823 -0.191 0.000 0.987 151 V HN 0.432 nan 8.190 nan 0.000 0.436 152 I N 4.929 125.219 120.570 -0.466 0.000 2.382 152 I HA 0.345 4.634 4.170 0.199 0.000 0.285 152 I C 0.266 176.183 176.117 -0.335 0.000 1.007 152 I CA -0.082 60.949 61.300 -0.450 0.000 1.142 152 I CB 1.280 38.869 38.000 -0.685 0.000 1.289 152 I HN 0.522 nan 8.210 nan 0.000 0.453 153 N N 7.483 125.943 118.700 -0.400 0.000 2.488 153 N HA 0.382 5.241 4.740 0.199 0.000 0.274 153 N C -1.043 174.397 175.510 -0.116 0.000 1.111 153 N CA -0.122 52.770 53.050 -0.264 0.000 0.974 153 N CB 0.990 39.258 38.487 -0.365 0.000 1.089 153 N HN 0.495 nan 8.380 nan 0.000 0.465 154 I N 2.661 123.212 120.570 -0.033 0.000 2.411 154 I HA 0.472 4.761 4.170 0.199 0.000 0.284 154 I C 0.539 176.642 176.117 -0.023 0.000 1.012 154 I CA -0.555 60.736 61.300 -0.016 0.000 1.119 154 I CB 1.613 39.619 38.000 0.011 0.000 1.261 154 I HN 0.577 nan 8.210 nan 0.000 0.448 155 G N 6.144 114.941 108.800 -0.005 0.000 2.451 155 G HA2 0.619 4.699 3.960 0.199 0.000 0.292 155 G HA3 0.619 4.699 3.960 0.199 0.000 0.292 155 G C -2.116 172.792 174.900 0.012 0.000 1.427 155 G CA -0.442 44.652 45.100 -0.009 0.000 0.792 155 G HN 0.479 nan 8.290 nan 0.000 0.498 156 I N -0.502 120.068 120.570 0.000 0.000 2.994 156 I HA 0.631 4.920 4.170 0.199 0.000 0.306 156 I C 1.035 177.144 176.117 -0.013 0.000 1.195 156 I CA 0.719 62.022 61.300 0.005 0.000 1.001 156 I CB 1.987 39.988 38.000 0.002 0.000 1.244 156 I HN 1.897 nan 8.210 nan 0.000 0.437 157 G N 3.652 112.436 108.800 -0.027 0.000 2.591 157 G HA2 -0.343 3.737 3.960 0.199 0.000 0.298 157 G HA3 -0.343 3.737 3.960 0.199 0.000 0.298 157 G C 0.900 175.755 174.900 -0.074 0.000 1.195 157 G CA 0.492 45.557 45.100 -0.058 0.000 0.989 157 G HN 1.332 nan 8.290 nan 0.000 0.551 158 G N -0.612 108.143 108.800 -0.074 0.000 2.470 158 G HA2 0.138 4.218 3.960 0.199 0.000 0.220 158 G HA3 0.138 4.218 3.960 0.199 0.000 0.220 158 G C 1.660 176.528 174.900 -0.053 0.000 1.121 158 G CA 1.880 46.933 45.100 -0.078 0.000 0.766 158 G HN 1.230 nan 8.290 nan 0.000 0.553 159 S N -0.534 115.150 115.700 -0.026 0.000 2.660 159 S HA 0.204 4.793 4.470 0.199 0.000 0.227 159 S C 0.945 175.545 174.600 -0.000 0.000 0.948 159 S CA 0.558 58.747 58.200 -0.018 0.000 0.948 159 S CB 0.279 63.490 63.200 0.018 0.000 0.779 159 S HN 0.649 nan 8.310 nan 0.000 0.487 160 D N 0.072 120.465 120.400 -0.013 0.000 2.971 160 D HA 0.102 4.862 4.640 0.199 0.000 0.221 160 D C 1.501 177.747 176.300 -0.090 0.000 1.406 160 D CA -0.220 53.788 54.000 0.013 0.000 1.328 160 D CB -0.619 40.202 40.800 0.034 0.000 1.369 160 D HN 0.054 nan 8.370 nan 0.000 0.364 161 L N 1.223 122.388 121.223 -0.096 0.000 2.079 161 L HA 0.169 4.628 4.340 0.199 0.000 0.210 161 L C 2.104 178.913 176.870 -0.102 0.000 1.081 161 L CA 2.561 57.333 54.840 -0.114 0.000 0.752 161 L CB -1.058 40.949 42.059 -0.087 0.000 0.896 161 L HN 0.328 nan 8.230 nan 0.000 0.433 162 G N -0.621 108.156 108.800 -0.039 0.000 2.453 162 G HA2 -0.199 3.880 3.960 0.199 0.000 0.215 162 G HA3 -0.199 3.880 3.960 0.199 0.000 0.215 162 G C -0.603 174.081 174.900 -0.360 0.000 1.201 162 G CA 0.851 45.833 45.100 -0.196 0.000 0.784 162 G HN 0.359 nan 8.290 nan 0.000 0.545 163 P HA -0.059 nan 4.420 nan 0.000 0.216 163 P C 2.088 179.071 177.300 -0.528 0.000 1.150 163 P CA 0.412 63.375 63.100 -0.228 0.000 0.837 163 P CB -0.040 31.686 31.700 0.042 0.000 0.786 164 L N -0.826 119.838 121.223 -0.933 0.000 2.005 164 L HA -0.128 4.331 4.340 0.199 0.000 0.207 164 L C 1.996 178.490 176.870 -0.626 0.000 1.072 164 L CA 2.199 56.249 54.840 -1.316 0.000 0.744 164 L CB -1.364 40.070 42.059 -1.041 0.000 0.895 164 L HN 0.057 nan 8.230 nan 0.000 0.433 165 M N -0.439 118.891 119.600 -0.449 0.000 2.117 165 M HA -0.156 4.443 4.480 0.199 0.000 0.262 165 M C 2.149 178.288 176.300 -0.269 0.000 1.065 165 M CA 1.817 56.917 55.300 -0.332 0.000 1.114 165 M CB -0.652 31.757 32.600 -0.319 0.000 1.361 165 M HN 0.169 nan 8.290 nan 0.000 0.408 166 V N 0.720 120.449 119.914 -0.309 0.000 2.358 166 V HA -0.234 4.006 4.120 0.199 0.000 0.246 166 V C 2.605 178.634 176.094 -0.109 0.000 1.047 166 V CA 2.210 64.383 62.300 -0.212 0.000 1.035 166 V CB -1.529 30.141 31.823 -0.255 0.000 0.658 166 V HN 0.673 nan 8.190 nan 0.000 0.452 167 T N -2.156 112.331 114.554 -0.112 0.000 2.833 167 T HA -0.192 4.278 4.350 0.199 0.000 0.269 167 T C 1.718 176.427 174.700 0.015 0.000 1.054 167 T CA 1.321 63.419 62.100 -0.003 0.000 1.135 167 T CB -0.286 68.542 68.868 -0.068 0.000 0.869 167 T HN 0.399 nan 8.240 nan 0.000 0.466 168 E N 1.745 121.918 120.200 -0.045 0.000 2.072 168 E HA 0.067 4.536 4.350 0.199 0.000 0.191 168 E C 2.588 179.267 176.600 0.132 0.000 0.985 168 E CA 1.296 57.741 56.400 0.074 0.000 0.801 168 E CB -0.642 29.064 29.700 0.010 0.000 0.750 168 E HN 0.701 nan 8.360 nan 0.000 0.452 169 A N 0.577 123.423 122.820 0.044 0.000 2.014 169 A HA -0.024 4.415 4.320 0.199 0.000 0.218 169 A C 1.903 179.443 177.584 -0.073 0.000 1.163 169 A CA 0.651 52.721 52.037 0.056 0.000 0.652 169 A CB -0.174 18.844 19.000 0.030 0.000 0.808 169 A HN 0.159 nan 8.150 nan 0.000 0.449 170 L N -1.135 120.063 121.223 -0.041 0.000 2.928 170 L HA 0.187 4.647 4.340 0.199 0.000 0.246 170 L C 1.518 178.404 176.870 0.028 0.000 1.239 170 L CA -0.274 54.586 54.840 0.033 0.000 1.035 170 L CB 0.182 42.271 42.059 0.050 0.000 1.360 170 L HN 0.099 nan 8.230 nan 0.000 0.529 171 K N 1.679 121.990 120.400 -0.147 0.000 2.113 171 K HA -0.126 4.313 4.320 0.199 0.000 0.208 171 K C -0.640 175.870 176.600 -0.150 0.000 1.047 171 K CA 1.648 57.904 56.287 -0.051 0.000 0.928 171 K CB -0.901 31.614 32.500 0.026 0.000 0.716 171 K HN 0.177 nan 8.250 nan 0.000 0.446 172 P HA -0.133 nan 4.420 nan 0.000 0.228 172 P C -0.167 176.818 177.300 -0.524 0.000 1.151 172 P CA 1.186 64.033 63.100 -0.421 0.000 0.770 172 P CB -0.014 31.312 31.700 -0.622 0.000 0.786 173 Y N -0.192 120.010 120.300 -0.162 0.000 2.801 173 Y HA 0.227 4.897 4.550 0.200 0.000 0.318 173 Y C 0.598 176.384 175.900 -0.189 0.000 1.073 173 Y CA -0.539 57.480 58.100 -0.137 0.000 1.360 173 Y CB -0.182 38.215 38.460 -0.106 0.000 1.220 173 Y HN -0.084 nan 8.280 nan 0.000 0.536 174 S N -1.227 114.370 115.700 -0.170 0.000 2.669 174 S HA 0.492 5.082 4.470 0.199 0.000 0.315 174 S C 0.374 174.859 174.600 -0.192 0.000 1.106 174 S CA -0.444 57.551 58.200 -0.341 0.000 1.107 174 S CB 1.409 64.123 63.200 -0.810 0.000 0.990 174 S HN 0.265 nan 8.310 nan 0.000 0.471 175 S N 3.347 118.968 115.700 -0.131 0.000 2.582 175 S HA 0.410 4.999 4.470 0.199 0.000 0.159 175 S C 1.426 175.993 174.600 -0.055 0.000 0.918 175 S CA 0.242 58.399 58.200 -0.072 0.000 1.287 175 S CB -1.205 61.968 63.200 -0.044 0.000 0.667 175 S HN 0.943 nan 8.310 nan 0.000 0.462 176 G N 1.237 110.012 108.800 -0.041 0.000 3.440 176 G HA2 0.497 4.577 3.960 0.199 0.000 0.263 176 G HA3 0.497 4.577 3.960 0.199 0.000 0.263 176 G C 0.357 175.237 174.900 -0.033 0.000 1.236 176 G CA -0.117 44.967 45.100 -0.027 0.000 0.927 176 G HN 0.733 nan 8.290 nan 0.000 0.530 177 G N 1.022 109.790 108.800 -0.053 0.000 2.390 177 G HA2 0.526 4.605 3.960 0.199 0.000 0.270 177 G HA3 0.526 4.605 3.960 0.199 0.000 0.270 177 G C -2.219 172.679 174.900 -0.004 0.000 1.211 177 G CA -0.830 44.239 45.100 -0.051 0.000 0.842 177 G HN 0.087 nan 8.290 nan 0.000 0.519 178 P HA 0.205 nan 4.420 nan 0.000 0.272 178 P C 0.165 177.518 177.300 0.088 0.000 1.230 178 P CA -0.471 62.648 63.100 0.033 0.000 0.788 178 P CB 0.861 32.557 31.700 -0.007 0.000 0.949 179 R N 0.182 120.735 120.500 0.089 0.000 2.590 179 R HA 0.306 4.766 4.340 0.199 0.000 0.274 179 R C -0.409 175.894 176.300 0.006 0.000 1.061 179 R CA -0.278 55.853 56.100 0.052 0.000 1.081 179 R CB 0.156 30.500 30.300 0.073 0.000 0.984 179 R HN 0.256 nan 8.270 nan 0.000 0.448 180 V N 3.194 122.988 119.914 -0.199 0.000 2.513 180 V HA 0.395 4.634 4.120 0.199 0.000 0.299 180 V C -0.816 175.022 176.094 -0.425 0.000 1.035 180 V CA -0.715 61.413 62.300 -0.286 0.000 0.889 180 V CB 1.371 32.947 31.823 -0.412 0.000 0.988 180 V HN 0.677 nan 8.190 nan 0.000 0.440 181 W N 3.096 124.076 121.300 -0.533 0.000 2.864 181 W HA 0.766 5.545 4.660 0.200 0.000 0.343 181 W C -1.080 175.004 176.519 -0.725 0.000 1.109 181 W CA -0.801 56.297 57.345 -0.412 0.000 1.192 181 W CB 1.459 30.738 29.460 -0.302 0.000 1.426 181 W HN 0.320 nan 8.180 nan 0.000 0.529 182 F N 1.994 121.986 119.950 0.069 0.000 2.496 182 F HA 0.549 5.196 4.527 0.199 0.000 0.341 182 F C -0.289 175.417 175.800 -0.158 0.000 1.134 182 F CA -1.133 56.849 58.000 -0.029 0.000 0.968 182 F CB 1.130 40.113 39.000 -0.028 0.000 1.205 182 F HN -0.183 nan 8.300 nan 0.000 0.436 183 V N 2.908 122.741 119.914 -0.135 0.000 2.435 183 V HA 0.483 4.722 4.120 0.199 0.000 0.290 183 V C 0.151 176.145 176.094 -0.166 0.000 1.030 183 V CA 0.023 62.058 62.300 -0.442 0.000 0.881 183 V CB 1.531 33.188 31.823 -0.277 0.000 0.983 183 V HN 0.937 nan 8.190 nan 0.000 0.445 184 S N 2.681 118.351 115.700 -0.049 0.000 3.330 184 S HA 0.144 4.733 4.470 0.199 0.000 0.259 184 S C 0.640 175.349 174.600 0.181 0.000 1.095 184 S CA -0.228 58.051 58.200 0.132 0.000 0.841 184 S CB -0.155 63.150 63.200 0.175 0.000 0.890 184 S HN 0.544 nan 8.310 nan 0.000 0.446 185 N N 1.651 120.569 118.700 0.363 0.000 2.441 185 N HA 0.162 5.021 4.740 0.199 0.000 0.251 185 N C 0.756 176.343 175.510 0.128 0.000 1.242 185 N CA -0.021 53.136 53.050 0.179 0.000 0.898 185 N CB 0.902 39.445 38.487 0.094 0.000 1.100 185 N HN 0.335 nan 8.380 nan 0.000 0.443 186 I N 1.693 122.301 120.570 0.064 0.000 2.439 186 I HA -0.076 4.213 4.170 0.199 0.000 0.251 186 I C 0.311 176.457 176.117 0.049 0.000 1.139 186 I CA 0.574 61.900 61.300 0.043 0.000 1.438 186 I CB -0.611 37.402 38.000 0.021 0.000 1.085 186 I HN 0.548 nan 8.210 nan 0.000 0.427 187 D N 0.874 121.303 120.400 0.048 0.000 2.662 187 D HA -0.070 4.689 4.640 0.199 0.000 0.237 187 D C 1.611 177.949 176.300 0.063 0.000 1.154 187 D CA 0.924 54.948 54.000 0.040 0.000 0.861 187 D CB 0.721 41.532 40.800 0.019 0.000 1.146 187 D HN 0.380 nan 8.370 nan 0.000 0.518 188 G N 3.383 112.211 108.800 0.047 0.000 2.517 188 G HA2 -0.318 3.761 3.960 0.199 0.000 0.222 188 G HA3 -0.318 3.761 3.960 0.199 0.000 0.222 188 G C 1.499 176.436 174.900 0.061 0.000 1.109 188 G CA 1.203 46.332 45.100 0.049 0.000 0.746 188 G HN 0.589 nan 8.290 nan 0.000 0.576 189 T N -0.615 113.976 114.554 0.061 0.000 2.759 189 T HA -0.142 4.328 4.350 0.199 0.000 0.269 189 T C 1.871 176.646 174.700 0.125 0.000 1.042 189 T CA 1.439 63.579 62.100 0.067 0.000 1.140 189 T CB -0.341 68.552 68.868 0.041 0.000 0.864 189 T HN 0.612 nan 8.240 nan 0.000 0.455 190 H N -0.189 118.894 119.070 0.022 0.000 2.270 190 H HA 0.023 4.699 4.556 0.199 0.000 0.299 190 H C 2.413 177.750 175.328 0.016 0.000 1.077 190 H CA 1.363 57.430 56.048 0.032 0.000 1.294 190 H CB -0.116 29.668 29.762 0.036 0.000 1.371 190 H HN 0.246 nan 8.280 nan 0.000 0.491 191 I N 0.334 120.949 120.570 0.075 0.000 2.394 191 I HA -0.188 4.102 4.170 0.199 0.000 0.251 191 I C 2.470 178.540 176.117 -0.079 0.000 1.136 191 I CA 0.974 62.242 61.300 -0.053 0.000 1.425 191 I CB -0.208 37.760 38.000 -0.054 0.000 1.079 191 I HN 0.351 nan 8.210 nan 0.000 0.425 192 A N 2.034 124.845 122.820 -0.016 0.000 1.851 192 A HA -0.287 4.152 4.320 0.199 0.000 0.216 192 A C 2.153 179.719 177.584 -0.029 0.000 1.195 192 A CA 2.391 54.414 52.037 -0.022 0.000 0.622 192 A CB -0.689 18.324 19.000 0.022 0.000 0.831 192 A HN 0.586 nan 8.150 nan 0.000 0.444 193 K N -0.888 119.525 120.400 0.022 0.000 2.283 193 K HA -0.009 4.430 4.320 0.199 0.000 0.202 193 K C 1.524 178.129 176.600 0.009 0.000 1.048 193 K CA 1.779 58.092 56.287 0.043 0.000 0.948 193 K CB -0.687 31.872 32.500 0.098 0.000 0.742 193 K HN 0.313 nan 8.250 nan 0.000 0.458 194 T N 1.412 115.931 114.554 -0.058 0.000 2.852 194 T HA 0.109 4.578 4.350 0.199 0.000 0.256 194 T C 1.631 176.028 174.700 -0.505 0.000 1.038 194 T CA 0.787 62.749 62.100 -0.230 0.000 1.141 194 T CB -0.158 68.593 68.868 -0.195 0.000 0.869 194 T HN 0.090 nan 8.240 nan 0.000 0.439 195 L N 1.021 121.972 121.223 -0.454 0.000 2.275 195 L HA 0.040 4.499 4.340 0.199 0.000 0.215 195 L C 2.883 179.546 176.870 -0.346 0.000 1.119 195 L CA 0.696 55.127 54.840 -0.681 0.000 0.790 195 L CB -0.592 40.893 42.059 -0.957 0.000 0.919 195 L HN 0.233 nan 8.230 nan 0.000 0.443 196 A N -0.953 121.769 122.820 -0.164 0.000 2.121 196 A HA -0.150 4.290 4.320 0.199 0.000 0.218 196 A C 1.912 179.496 177.584 -0.000 0.000 1.154 196 A CA 1.249 53.282 52.037 -0.006 0.000 0.679 196 A CB -0.704 18.307 19.000 0.019 0.000 0.795 196 A HN 0.594 nan 8.150 nan 0.000 0.458 197 C N -0.076 119.157 119.300 -0.111 0.000 2.884 197 C HA 0.518 5.098 4.460 0.199 0.000 0.287 197 C C 0.161 175.074 174.990 -0.129 0.000 1.310 197 C CA -0.900 58.080 59.018 -0.064 0.000 1.725 197 C CB -1.449 26.298 27.740 0.011 0.000 2.060 197 C HN 0.358 nan 8.230 nan 0.000 0.618 198 L N 1.951 123.095 121.223 -0.131 0.000 2.342 198 L HA 0.475 4.934 4.340 0.199 0.000 0.271 198 L C -0.383 176.639 176.870 0.254 0.000 1.008 198 L CA 0.316 55.119 54.840 -0.061 0.000 0.818 198 L CB 1.184 43.051 42.059 -0.321 0.000 1.296 198 L HN 0.277 nan 8.230 nan 0.000 0.427 199 N N 3.065 121.901 118.700 0.227 0.000 2.457 199 N HA 0.233 5.092 4.740 0.199 0.000 0.250 199 N C -2.085 173.639 175.510 0.356 0.000 0.982 199 N CA -1.538 51.663 53.050 0.252 0.000 0.941 199 N CB 2.429 41.010 38.487 0.157 0.000 1.120 199 N HN 0.229 nan 8.380 nan 0.000 0.505 200 P HA -0.149 nan 4.420 nan 0.000 0.217 200 P C 0.495 178.035 177.300 0.400 0.000 1.151 200 P CA 1.445 64.762 63.100 0.361 0.000 0.849 200 P CB 0.338 31.948 31.700 -0.150 0.000 0.787 201 E N -0.828 119.568 120.200 0.326 0.000 2.268 201 E HA -0.069 4.400 4.350 0.199 0.000 0.195 201 E C 1.067 177.936 176.600 0.447 0.000 0.995 201 E CA 1.358 57.968 56.400 0.350 0.000 0.836 201 E CB -0.236 29.530 29.700 0.110 0.000 0.763 201 E HN 0.347 nan 8.360 nan 0.000 0.491 202 S N -0.553 115.353 115.700 0.342 0.000 2.754 202 S HA 0.270 4.860 4.470 0.199 0.000 0.247 202 S C 0.003 174.723 174.600 0.200 0.000 1.031 202 S CA -0.694 57.661 58.200 0.259 0.000 1.014 202 S CB 0.855 64.146 63.200 0.151 0.000 0.918 202 S HN -0.151 nan 8.310 nan 0.000 0.519 203 S N 2.442 118.309 115.700 0.278 0.000 2.454 203 S HA 0.626 5.216 4.470 0.199 0.000 0.306 203 S C -1.054 173.550 174.600 0.007 0.000 1.100 203 S CA -0.665 57.553 58.200 0.029 0.000 1.087 203 S CB 1.495 64.659 63.200 -0.060 0.000 1.019 203 S HN 0.472 nan 8.310 nan 0.000 0.480 204 L N 4.107 125.177 121.223 -0.254 0.000 2.313 204 L HA 0.623 5.083 4.340 0.199 0.000 0.283 204 L C -1.696 174.875 176.870 -0.498 0.000 1.013 204 L CA -0.593 54.094 54.840 -0.255 0.000 0.816 204 L CB 0.554 42.490 42.059 -0.205 0.000 1.236 204 L HN 0.562 nan 8.230 nan 0.000 0.419 205 F N 5.310 124.994 119.950 -0.445 0.000 2.421 205 F HA 0.494 5.141 4.527 0.199 0.000 0.337 205 F C 0.547 176.212 175.800 -0.226 0.000 1.105 205 F CA -0.442 57.294 58.000 -0.441 0.000 1.049 205 F CB 1.417 39.941 39.000 -0.795 0.000 1.139 205 F HN 0.237 nan 8.300 nan 0.000 0.479 206 I N 5.252 125.823 120.570 0.002 0.000 2.382 206 I HA 0.264 4.554 4.170 0.199 0.000 0.285 206 I C -0.832 175.325 176.117 0.067 0.000 1.007 206 I CA -0.614 60.695 61.300 0.016 0.000 1.142 206 I CB 1.056 39.006 38.000 -0.083 0.000 1.289 206 I HN 0.302 nan 8.210 nan 0.000 0.453 207 I N 5.977 126.632 120.570 0.141 0.000 2.281 207 I HA 0.305 4.594 4.170 0.199 0.000 0.293 207 I C 0.728 176.918 176.117 0.122 0.000 1.085 207 I CA -0.280 61.073 61.300 0.088 0.000 1.257 207 I CB 0.656 38.696 38.000 0.067 0.000 1.430 207 I HN 0.502 nan 8.210 nan 0.000 0.489 208 A N 4.988 127.838 122.820 0.049 0.000 2.260 208 A HA 0.608 5.048 4.320 0.199 0.000 0.312 208 A C 0.222 177.852 177.584 0.077 0.000 1.321 208 A CA -0.312 51.778 52.037 0.088 0.000 0.928 208 A CB 0.583 19.601 19.000 0.030 0.000 1.158 208 A HN 0.643 nan 8.150 nan 0.000 0.542 209 S N 2.239 118.059 115.700 0.201 0.000 2.599 209 S HA 0.238 4.827 4.470 0.199 0.000 0.269 209 S C 0.591 175.360 174.600 0.282 0.000 1.135 209 S CA -0.494 57.798 58.200 0.154 0.000 1.027 209 S CB 0.911 64.045 63.200 -0.110 0.000 1.129 209 S HN 0.800 nan 8.310 nan 0.000 0.458 210 K N 2.333 122.904 120.400 0.285 0.000 2.020 210 K HA -0.136 4.304 4.320 0.199 0.000 0.212 210 K C 1.814 178.368 176.600 -0.077 0.000 1.050 210 K CA 2.573 58.883 56.287 0.038 0.000 0.929 210 K CB -0.414 32.166 32.500 0.133 0.000 0.714 210 K HN 0.773 nan 8.250 nan 0.000 0.443 211 T N -3.060 111.508 114.554 0.023 0.000 3.009 211 T HA -0.033 4.436 4.350 0.199 0.000 0.258 211 T C 0.865 175.651 174.700 0.143 0.000 1.063 211 T CA 0.500 62.619 62.100 0.032 0.000 1.139 211 T CB -0.198 68.686 68.868 0.026 0.000 0.890 211 T HN 0.340 nan 8.240 nan 0.000 0.471 212 F N 2.037 121.952 119.950 -0.058 0.000 3.018 212 F HA -0.269 4.377 4.527 0.198 0.000 0.287 212 F C 1.008 176.774 175.800 -0.056 0.000 0.813 212 F CA 0.985 58.944 58.000 -0.068 0.000 1.209 212 F CB -1.721 37.231 39.000 -0.079 0.000 1.321 212 F HN 0.526 nan 8.300 nan 0.000 0.477 213 T N -5.064 109.476 114.554 -0.022 0.000 3.041 213 T HA 0.198 4.667 4.350 0.199 0.000 0.276 213 T C 0.627 175.294 174.700 -0.056 0.000 0.948 213 T CA 0.570 62.657 62.100 -0.022 0.000 0.885 213 T CB 0.090 68.975 68.868 0.028 0.000 1.175 213 T HN 0.135 nan 8.240 nan 0.000 0.529 214 T N 3.247 117.754 114.554 -0.080 0.000 2.866 214 T HA 0.039 4.508 4.350 0.199 0.000 0.293 214 T C 1.239 175.891 174.700 -0.079 0.000 1.005 214 T CA 0.162 62.223 62.100 -0.065 0.000 1.162 214 T CB 1.237 70.065 68.868 -0.067 0.000 0.968 214 T HN 0.408 nan 8.240 nan 0.000 0.530 215 Q N 2.489 122.263 119.800 -0.044 0.000 2.077 215 Q HA -0.225 4.235 4.340 0.199 0.000 0.206 215 Q C 1.846 177.819 176.000 -0.045 0.000 0.989 215 Q CA 1.971 57.752 55.803 -0.037 0.000 0.853 215 Q CB 0.037 28.767 28.738 -0.013 0.000 0.907 215 Q HN 0.737 nan 8.270 nan 0.000 0.418 216 E N -0.504 119.674 120.200 -0.037 0.000 2.038 216 E HA -0.178 4.292 4.350 0.199 0.000 0.195 216 E C 2.037 178.603 176.600 -0.057 0.000 1.000 216 E CA 2.076 58.458 56.400 -0.029 0.000 0.803 216 E CB -0.312 29.381 29.700 -0.012 0.000 0.750 216 E HN 0.343 nan 8.360 nan 0.000 0.448 217 T N 0.980 115.478 114.554 -0.094 0.000 2.737 217 T HA -0.091 4.378 4.350 0.199 0.000 0.265 217 T C 1.740 176.304 174.700 -0.227 0.000 1.038 217 T CA 0.893 62.902 62.100 -0.152 0.000 1.144 217 T CB -0.114 68.640 68.868 -0.190 0.000 0.866 217 T HN 0.027 nan 8.240 nan 0.000 0.434 218 I N 1.790 122.207 120.570 -0.255 0.000 2.315 218 I HA -0.109 4.181 4.170 0.199 0.000 0.248 218 I C 2.588 178.628 176.117 -0.128 0.000 1.117 218 I CA 1.406 62.536 61.300 -0.283 0.000 1.404 218 I CB -1.808 36.061 38.000 -0.219 0.000 1.071 218 I HN 0.265 nan 8.210 nan 0.000 0.419 219 T N 1.318 115.828 114.554 -0.073 0.000 2.737 219 T HA -0.119 4.351 4.350 0.199 0.000 0.265 219 T C 1.779 176.471 174.700 -0.014 0.000 1.038 219 T CA 1.271 63.358 62.100 -0.021 0.000 1.144 219 T CB -0.209 68.652 68.868 -0.011 0.000 0.866 219 T HN 0.262 nan 8.240 nan 0.000 0.434 220 N N 1.322 120.002 118.700 -0.034 0.000 2.166 220 N HA -0.009 4.851 4.740 0.199 0.000 0.186 220 N C 2.120 177.620 175.510 -0.016 0.000 1.019 220 N CA 1.276 54.312 53.050 -0.023 0.000 0.856 220 N CB -0.486 37.982 38.487 -0.032 0.000 0.993 220 N HN 0.420 nan 8.380 nan 0.000 0.426 221 A N 1.810 124.600 122.820 -0.050 0.000 1.877 221 A HA -0.121 4.318 4.320 0.199 0.000 0.216 221 A C 2.169 179.852 177.584 0.165 0.000 1.186 221 A CA 1.213 53.249 52.037 -0.001 0.000 0.620 221 A CB -0.253 18.562 19.000 -0.309 0.000 0.822 221 A HN 0.112 nan 8.150 nan 0.000 0.443 222 K N -0.667 119.828 120.400 0.159 0.000 2.097 222 K HA -0.096 4.344 4.320 0.199 0.000 0.206 222 K C 2.071 178.723 176.600 0.085 0.000 1.049 222 K CA 1.756 58.148 56.287 0.174 0.000 0.933 222 K CB -0.761 31.821 32.500 0.136 0.000 0.717 222 K HN 0.502 nan 8.250 nan 0.000 0.442 223 T N 1.266 115.858 114.554 0.064 0.000 2.821 223 T HA -0.086 4.383 4.350 0.199 0.000 0.267 223 T C 1.947 176.701 174.700 0.090 0.000 1.046 223 T CA 1.314 63.452 62.100 0.064 0.000 1.139 223 T CB -0.123 68.768 68.868 0.039 0.000 0.871 223 T HN 0.316 nan 8.240 nan 0.000 0.454 224 A N 1.404 124.244 122.820 0.033 0.000 1.930 224 A HA -0.066 4.374 4.320 0.199 0.000 0.217 224 A C 2.212 179.900 177.584 0.173 0.000 1.175 224 A CA 1.775 53.774 52.037 -0.062 0.000 0.627 224 A CB -0.451 18.281 19.000 -0.446 0.000 0.815 224 A HN 0.447 nan 8.150 nan 0.000 0.443 225 K N -0.469 120.007 120.400 0.127 0.000 2.057 225 K HA -0.183 4.257 4.320 0.199 0.000 0.206 225 K C 1.553 178.231 176.600 0.130 0.000 1.050 225 K CA 1.697 57.995 56.287 0.019 0.000 0.935 225 K CB -0.226 32.045 32.500 -0.381 0.000 0.715 225 K HN 0.452 nan 8.250 nan 0.000 0.439 226 D N -0.676 119.781 120.400 0.094 0.000 2.117 226 D HA -0.183 4.576 4.640 0.199 0.000 0.197 226 D C 1.337 177.711 176.300 0.124 0.000 0.987 226 D CA 1.263 55.304 54.000 0.069 0.000 0.829 226 D CB -0.052 40.783 40.800 0.059 0.000 0.961 226 D HN 0.398 nan 8.370 nan 0.000 0.460 227 W N -0.056 121.263 121.300 0.032 0.000 2.374 227 W HA -0.192 4.587 4.660 0.199 0.000 0.288 227 W C 1.614 178.193 176.519 0.101 0.000 1.218 227 W CA 0.876 58.253 57.345 0.054 0.000 1.245 227 W CB -0.317 29.183 29.460 0.068 0.000 1.126 227 W HN 0.003 nan 8.180 nan 0.000 0.545 228 F N 0.504 120.503 119.950 0.082 0.000 2.123 228 F HA -0.008 4.639 4.527 0.200 0.000 0.289 228 F C 2.052 177.714 175.800 -0.230 0.000 1.099 228 F CA 1.676 59.613 58.000 -0.105 0.000 1.234 228 F CB -1.004 38.152 39.000 0.261 0.000 1.034 228 F HN -0.255 nan 8.300 nan 0.000 0.479 229 L N 0.348 121.428 121.223 -0.239 0.000 2.556 229 L HA -0.210 4.250 4.340 0.199 0.000 0.230 229 L C 2.166 178.816 176.870 -0.366 0.000 1.163 229 L CA 0.576 55.193 54.840 -0.371 0.000 0.819 229 L CB -0.649 41.312 42.059 -0.164 0.000 0.939 229 L HN 0.365 nan 8.230 nan 0.000 0.452 230 L N -0.412 120.602 121.223 -0.349 0.000 1.982 230 L HA -0.192 4.267 4.340 0.199 0.000 0.206 230 L C 2.734 179.394 176.870 -0.350 0.000 1.078 230 L CA 1.967 56.626 54.840 -0.302 0.000 0.749 230 L CB -0.209 41.667 42.059 -0.305 0.000 0.894 230 L HN 0.301 nan 8.230 nan 0.000 0.436 231 S N -0.805 114.619 115.700 -0.459 0.000 2.496 231 S HA 0.089 4.678 4.470 0.199 0.000 0.224 231 S C 1.723 176.104 174.600 -0.364 0.000 0.996 231 S CA 0.440 58.422 58.200 -0.364 0.000 0.927 231 S CB -0.178 62.798 63.200 -0.374 0.000 0.774 231 S HN 0.470 nan 8.310 nan 0.000 0.524 232 A N 1.465 123.882 122.820 -0.673 0.000 1.859 232 A HA 0.367 4.806 4.320 0.199 0.000 0.212 232 A C 0.553 177.785 177.584 -0.586 0.000 1.238 232 A CA 0.363 51.822 52.037 -0.962 0.000 0.613 232 A CB -0.233 17.587 19.000 -1.967 0.000 0.904 232 A HN 0.371 nan 8.150 nan 0.000 0.457 233 K N -0.127 119.961 120.400 -0.519 0.000 7.076 233 K HA -0.132 4.307 4.320 0.199 0.000 0.747 233 K C -1.179 175.256 176.600 -0.274 0.000 2.505 233 K CA 1.073 57.176 56.287 -0.308 0.000 1.814 233 K CB -0.883 31.497 32.500 -0.200 0.000 2.142 233 K HN 1.051 nan 8.250 nan 0.000 0.274 234 D N 2.608 122.885 120.400 -0.204 0.000 4.313 234 D HA -0.057 4.702 4.640 0.199 0.000 0.220 234 D C -2.140 174.086 176.300 -0.124 0.000 1.433 234 D CA 0.066 53.983 54.000 -0.138 0.000 0.991 234 D CB 0.133 40.868 40.800 -0.107 0.000 0.428 234 D HN 0.198 nan 8.370 nan 0.000 0.189 235 P HA -0.022 nan 4.420 nan 0.000 0.239 235 P C 1.107 178.401 177.300 -0.011 0.000 1.184 235 P CA 1.057 64.121 63.100 -0.061 0.000 0.760 235 P CB -0.078 31.572 31.700 -0.083 0.000 0.884 236 S N -1.726 113.977 115.700 0.004 0.000 2.496 236 S HA -0.077 4.512 4.470 0.199 0.000 0.224 236 S C 1.763 176.427 174.600 0.106 0.000 0.996 236 S CA 1.130 59.353 58.200 0.039 0.000 0.927 236 S CB -1.577 61.640 63.200 0.029 0.000 0.774 236 S HN 0.281 nan 8.310 nan 0.000 0.524 237 T N 0.463 115.101 114.554 0.141 0.000 2.857 237 T HA 0.029 4.499 4.350 0.199 0.000 0.266 237 T C 1.755 176.728 174.700 0.454 0.000 1.048 237 T CA 0.878 63.153 62.100 0.292 0.000 1.139 237 T CB -1.088 67.881 68.868 0.169 0.000 0.874 237 T HN 0.173 nan 8.240 nan 0.000 0.455 238 V N 2.756 122.927 119.914 0.429 0.000 2.311 238 V HA -0.309 3.930 4.120 0.199 0.000 0.256 238 V C 3.206 179.540 176.094 0.399 0.000 1.077 238 V CA 1.998 64.528 62.300 0.384 0.000 1.067 238 V CB -1.567 30.309 31.823 0.088 0.000 0.659 238 V HN 0.732 nan 8.190 nan 0.000 0.451 239 A N -1.046 121.947 122.820 0.288 0.000 2.084 239 A HA -0.265 4.174 4.320 0.199 0.000 0.221 239 A C 2.167 179.973 177.584 0.370 0.000 1.161 239 A CA 2.082 54.283 52.037 0.274 0.000 0.653 239 A CB -0.391 18.707 19.000 0.164 0.000 0.802 239 A HN 0.647 nan 8.150 nan 0.000 0.457 240 K N -1.904 118.722 120.400 0.376 0.000 2.358 240 K HA 0.137 4.576 4.320 0.199 0.000 0.197 240 K C 0.459 177.249 176.600 0.315 0.000 1.025 240 K CA 0.253 56.745 56.287 0.341 0.000 1.104 240 K CB 0.231 32.830 32.500 0.165 0.000 0.855 240 K HN 0.602 nan 8.250 nan 0.000 0.531 241 H N -1.266 118.026 119.070 0.371 0.000 3.398 241 H HA 0.193 4.868 4.556 0.199 0.000 0.260 241 H C -0.851 174.443 175.328 -0.057 0.000 1.189 241 H CA 0.010 56.117 56.048 0.099 0.000 1.145 241 H CB 0.715 30.251 29.762 -0.377 0.000 1.599 241 H HN -0.059 nan 8.280 nan 0.000 0.615 242 F N 1.708 121.818 119.950 0.266 0.000 2.562 242 F HA 0.347 4.993 4.527 0.199 0.000 0.319 242 F C 0.098 176.036 175.800 0.230 0.000 1.154 242 F CA -1.113 57.045 58.000 0.263 0.000 0.931 242 F CB 1.833 40.992 39.000 0.265 0.000 1.198 242 F HN -0.226 nan 8.300 nan 0.000 0.444 243 V N 0.094 120.187 119.914 0.299 0.000 3.126 243 V HA 1.053 5.292 4.120 0.199 0.000 0.314 243 V C -0.913 175.314 176.094 0.222 0.000 1.138 243 V CA -1.137 61.276 62.300 0.189 0.000 1.034 243 V CB 1.590 33.406 31.823 -0.011 0.000 1.075 243 V HN 0.989 nan 8.190 nan 0.000 0.442 244 A N 1.998 124.938 122.820 0.201 0.000 2.498 244 A HA 0.914 5.354 4.320 0.199 0.000 0.298 244 A C -1.155 176.573 177.584 0.240 0.000 1.075 244 A CA -0.791 51.383 52.037 0.228 0.000 0.714 244 A CB 1.739 20.834 19.000 0.160 0.000 1.299 244 A HN 1.115 nan 8.150 nan 0.000 0.407 245 L N 1.710 123.092 121.223 0.266 0.000 2.345 245 L HA 0.748 5.207 4.340 0.199 0.000 0.274 245 L C 0.049 177.192 176.870 0.456 0.000 0.999 245 L CA -0.267 54.764 54.840 0.318 0.000 0.849 245 L CB 1.208 43.379 42.059 0.187 0.000 1.220 245 L HN 0.718 nan 8.230 nan 0.000 0.422 246 S N 0.398 116.254 115.700 0.261 0.000 2.661 246 S HA 0.481 5.071 4.470 0.199 0.000 0.268 246 S C 0.303 174.553 174.600 -0.585 0.000 1.162 246 S CA 0.309 58.449 58.200 -0.100 0.000 0.817 246 S CB 1.788 64.978 63.200 -0.016 0.000 1.141 246 S HN 0.679 nan 8.310 nan 0.000 0.477 247 T N -0.740 113.424 114.554 -0.650 0.000 3.040 247 T HA 0.360 4.829 4.350 0.199 0.000 0.266 247 T C 0.076 174.567 174.700 -0.348 0.000 1.005 247 T CA -0.158 61.572 62.100 -0.616 0.000 0.906 247 T CB -0.276 68.192 68.868 -0.667 0.000 1.082 247 T HN 0.371 nan 8.240 nan 0.000 0.531 248 N N 2.447 120.983 118.700 -0.273 0.000 2.621 248 N HA 0.163 5.022 4.740 0.199 0.000 0.237 248 N C 1.278 176.646 175.510 -0.236 0.000 0.997 248 N CA 0.279 53.212 53.050 -0.193 0.000 0.918 248 N CB 1.850 40.273 38.487 -0.108 0.000 1.122 248 N HN 0.413 nan 8.380 nan 0.000 0.510 249 T N 0.758 115.193 114.554 -0.200 0.000 2.684 249 T HA -0.149 4.320 4.350 0.199 0.000 0.267 249 T C 1.867 176.466 174.700 -0.167 0.000 1.036 249 T CA 1.298 63.283 62.100 -0.193 0.000 1.148 249 T CB -0.247 68.538 68.868 -0.137 0.000 0.863 249 T HN 0.335 nan 8.240 nan 0.000 0.436 250 A N 2.658 125.410 122.820 -0.114 0.000 1.873 250 A HA -0.164 4.276 4.320 0.199 0.000 0.218 250 A C 2.489 180.029 177.584 -0.074 0.000 1.193 250 A CA 1.936 53.929 52.037 -0.074 0.000 0.629 250 A CB -0.658 18.317 19.000 -0.042 0.000 0.826 250 A HN 0.462 nan 8.150 nan 0.000 0.447 251 K N -0.402 119.949 120.400 -0.081 0.000 2.032 251 K HA -0.114 4.325 4.320 0.199 0.000 0.209 251 K C 2.070 178.581 176.600 -0.149 0.000 1.048 251 K CA 1.469 57.743 56.287 -0.022 0.000 0.927 251 K CB -0.936 31.607 32.500 0.071 0.000 0.712 251 K HN 0.376 nan 8.250 nan 0.000 0.441 252 V N 2.258 121.856 119.914 -0.526 0.000 2.233 252 V HA -0.289 3.951 4.120 0.199 0.000 0.247 252 V C 2.527 178.522 176.094 -0.166 0.000 1.050 252 V CA 2.248 64.125 62.300 -0.705 0.000 1.010 252 V CB -0.571 30.840 31.823 -0.687 0.000 0.637 252 V HN 0.316 nan 8.190 nan 0.000 0.444 253 K N 1.045 121.370 120.400 -0.126 0.000 2.103 253 K HA -0.233 4.206 4.320 0.199 0.000 0.207 253 K C 2.031 178.633 176.600 0.004 0.000 1.048 253 K CA 2.076 58.336 56.287 -0.045 0.000 0.930 253 K CB -0.695 31.771 32.500 -0.055 0.000 0.716 253 K HN 0.520 nan 8.250 nan 0.000 0.444 254 E N -0.969 119.243 120.200 0.020 0.000 2.160 254 E HA -0.188 4.282 4.350 0.199 0.000 0.195 254 E C 1.530 178.201 176.600 0.119 0.000 0.991 254 E CA 1.070 57.505 56.400 0.058 0.000 0.810 254 E CB -0.202 29.541 29.700 0.072 0.000 0.742 254 E HN 0.456 nan 8.360 nan 0.000 0.466 255 F N -0.165 119.805 119.950 0.033 0.000 2.456 255 F HA 0.122 4.769 4.527 0.199 0.000 0.298 255 F C 1.252 177.058 175.800 0.011 0.000 1.104 255 F CA 1.553 59.600 58.000 0.079 0.000 1.435 255 F CB 0.531 39.687 39.000 0.261 0.000 1.078 255 F HN 0.092 nan 8.300 nan 0.000 0.546 256 G N 1.178 109.948 108.800 -0.050 0.000 2.145 256 G HA2 -0.128 3.951 3.960 0.199 0.000 0.145 256 G HA3 -0.128 3.951 3.960 0.199 0.000 0.145 256 G C -0.174 174.716 174.900 -0.016 0.000 1.017 256 G CA -0.094 44.922 45.100 -0.139 0.000 0.682 256 G HN 0.278 nan 8.290 nan 0.000 0.504 257 I N 2.559 123.180 120.570 0.085 0.000 2.362 257 I HA 0.275 4.565 4.170 0.199 0.000 0.289 257 I C -0.189 175.949 176.117 0.034 0.000 0.994 257 I CA -1.127 60.240 61.300 0.113 0.000 1.158 257 I CB 1.339 39.451 38.000 0.186 0.000 1.315 257 I HN 0.217 nan 8.210 nan 0.000 0.451 258 D N 7.054 127.478 120.400 0.039 0.000 2.423 258 D HA 0.030 4.789 4.640 0.199 0.000 0.238 258 D C -2.046 174.231 176.300 -0.040 0.000 1.142 258 D CA -1.848 52.155 54.000 0.004 0.000 0.884 258 D CB 0.332 41.147 40.800 0.025 0.000 1.199 258 D HN 0.207 nan 8.370 nan 0.000 0.438 259 P HA -0.224 nan 4.420 nan 0.000 0.217 259 P C 1.476 178.692 177.300 -0.141 0.000 1.148 259 P CA 1.863 64.901 63.100 -0.102 0.000 0.828 259 P CB 0.007 31.661 31.700 -0.077 0.000 0.783 260 Q N -0.181 119.557 119.800 -0.104 0.000 2.291 260 Q HA -0.107 4.353 4.340 0.199 0.000 0.205 260 Q C 1.047 176.903 176.000 -0.240 0.000 0.970 260 Q CA 1.412 57.138 55.803 -0.129 0.000 0.876 260 Q CB -0.766 27.951 28.738 -0.034 0.000 0.935 260 Q HN 0.332 nan 8.270 nan 0.000 0.455 261 N N 0.168 118.755 118.700 -0.188 0.000 2.295 261 N HA 0.189 5.049 4.740 0.199 0.000 0.221 261 N C -0.673 174.620 175.510 -0.362 0.000 1.129 261 N CA -0.268 52.636 53.050 -0.244 0.000 0.836 261 N CB 0.399 38.914 38.487 0.047 0.000 1.040 261 N HN 0.310 nan 8.380 nan 0.000 0.494 262 M N 1.257 120.573 119.600 -0.474 0.000 2.167 262 M HA 0.357 4.956 4.480 0.199 0.000 0.333 262 M C -1.631 174.346 176.300 -0.539 0.000 1.030 262 M CA -0.627 54.464 55.300 -0.347 0.000 0.963 262 M CB 0.729 33.185 32.600 -0.240 0.000 1.589 262 M HN -0.167 nan 8.290 nan 0.000 0.431 263 F N 4.066 123.950 119.950 -0.110 0.000 2.361 263 F HA 0.359 5.006 4.527 0.199 0.000 0.364 263 F C 0.359 176.134 175.800 -0.043 0.000 1.117 263 F CA -0.677 57.279 58.000 -0.074 0.000 1.071 263 F CB 0.839 39.794 39.000 -0.074 0.000 1.188 263 F HN 0.539 nan 8.300 nan 0.000 0.464 264 E N 3.781 123.960 120.200 -0.035 0.000 2.250 264 E HA 0.733 5.202 4.350 0.199 0.000 0.265 264 E C -1.066 175.258 176.600 -0.460 0.000 1.033 264 E CA -0.613 55.644 56.400 -0.238 0.000 0.888 264 E CB 1.820 31.258 29.700 -0.436 0.000 1.151 264 E HN 0.498 nan 8.360 nan 0.000 0.412 265 F N -1.871 117.498 119.950 -0.967 0.000 2.876 265 F HA 0.703 5.349 4.527 0.199 0.000 0.358 265 F C -0.457 174.424 175.800 -1.532 0.000 1.209 265 F CA -1.361 55.836 58.000 -1.339 0.000 1.051 265 F CB 1.116 39.849 39.000 -0.446 0.000 1.474 265 F HN 0.349 nan 8.300 nan 0.000 0.521 266 W N 0.574 121.588 121.300 -0.477 0.000 2.967 266 W HA 0.203 4.982 4.660 0.199 0.000 0.342 266 W C 0.120 176.267 176.519 -0.620 0.000 1.162 266 W CA -0.260 56.629 57.345 -0.759 0.000 1.085 266 W CB 1.128 29.772 29.460 -1.360 0.000 1.460 266 W HN 0.686 nan 8.180 nan 0.000 0.584 267 D N -0.971 119.282 120.400 -0.245 0.000 2.218 267 D HA -0.216 4.543 4.640 0.199 0.000 0.204 267 D C 1.519 177.857 176.300 0.064 0.000 0.976 267 D CA 1.373 55.332 54.000 -0.068 0.000 0.853 267 D CB -0.617 40.199 40.800 0.026 0.000 0.939 267 D HN 0.461 nan 8.370 nan 0.000 0.481 268 W N 0.679 122.099 121.300 0.200 0.000 3.310 268 W HA 0.325 5.104 4.660 0.199 0.000 0.259 268 W C -0.688 175.942 176.519 0.186 0.000 1.324 268 W CA -0.578 56.846 57.345 0.132 0.000 1.636 268 W CB -0.584 28.908 29.460 0.054 0.000 1.104 268 W HN -0.212 nan 8.180 nan 0.000 0.722 269 V N 2.257 122.347 119.914 0.294 0.000 2.293 269 V HA 0.457 4.697 4.120 0.199 0.000 0.275 269 V C 0.889 177.198 176.094 0.359 0.000 1.021 269 V CA -0.717 61.817 62.300 0.390 0.000 0.815 269 V CB 0.489 32.539 31.823 0.378 0.000 1.025 269 V HN 0.133 nan 8.190 nan 0.000 0.448 270 G N 3.051 112.090 108.800 0.399 0.000 2.442 270 G HA2 0.403 4.482 3.960 0.199 0.000 0.249 270 G HA3 0.403 4.482 3.960 0.199 0.000 0.249 270 G C 1.125 176.212 174.900 0.311 0.000 1.263 270 G CA 0.232 45.559 45.100 0.379 0.000 0.846 270 G HN 0.869 nan 8.290 nan 0.000 0.555 271 G N 1.996 110.915 108.800 0.198 0.000 2.476 271 G HA2 -0.292 3.787 3.960 0.199 0.000 0.218 271 G HA3 -0.292 3.787 3.960 0.199 0.000 0.218 271 G C 1.691 176.598 174.900 0.012 0.000 1.164 271 G CA 0.966 46.127 45.100 0.102 0.000 0.768 271 G HN 0.798 nan 8.290 nan 0.000 0.560 272 R N -0.955 119.507 120.500 -0.063 0.000 2.339 272 R HA 0.121 4.580 4.340 0.199 0.000 0.199 272 R C 0.333 176.368 176.300 -0.442 0.000 1.018 272 R CA 0.680 56.580 56.100 -0.334 0.000 1.036 272 R CB -0.298 29.709 30.300 -0.488 0.000 0.899 272 R HN 0.471 nan 8.270 nan 0.000 0.473 273 Y N 0.252 120.584 120.300 0.052 0.000 2.721 273 Y HA 0.200 4.868 4.550 0.197 0.000 0.251 273 Y C 1.113 177.174 175.900 0.269 0.000 1.136 273 Y CA -0.402 57.778 58.100 0.132 0.000 1.142 273 Y CB 1.222 39.604 38.460 -0.131 0.000 1.212 273 Y HN 0.189 nan 8.280 nan 0.000 0.565 274 S N -0.697 115.124 115.700 0.202 0.000 2.524 274 S HA -0.027 4.562 4.470 0.199 0.000 0.215 274 S C 1.637 176.195 174.600 -0.069 0.000 0.986 274 S CA 0.106 58.364 58.200 0.095 0.000 0.911 274 S CB -0.488 62.677 63.200 -0.059 0.000 0.805 274 S HN 0.455 nan 8.310 nan 0.000 0.501 275 L N -1.411 119.666 121.223 -0.244 0.000 2.349 275 L HA 0.262 4.721 4.340 0.199 0.000 0.220 275 L C 1.703 178.414 176.870 -0.265 0.000 1.130 275 L CA 0.931 55.549 54.840 -0.370 0.000 0.791 275 L CB -1.500 40.200 42.059 -0.598 0.000 0.918 275 L HN 0.368 nan 8.230 nan 0.000 0.444 276 W N 0.647 122.013 121.300 0.110 0.000 3.047 276 W HA 0.237 5.018 4.660 0.202 0.000 0.250 276 W C 1.770 178.427 176.519 0.229 0.000 1.314 276 W CA 0.296 57.720 57.345 0.131 0.000 1.540 276 W CB -0.620 28.906 29.460 0.109 0.000 1.127 276 W HN 0.367 nan 8.180 nan 0.000 0.679 277 S N 0.150 116.040 115.700 0.317 0.000 2.561 277 S HA 0.670 5.260 4.470 0.199 0.000 0.282 277 S C 1.614 176.278 174.600 0.107 0.000 1.123 277 S CA -0.080 58.266 58.200 0.242 0.000 1.011 277 S CB 0.353 63.608 63.200 0.091 0.000 1.244 277 S HN -0.009 nan 8.310 nan 0.000 0.503 278 A N 0.288 123.108 122.820 0.001 0.000 2.024 278 A HA 0.000 4.440 4.320 0.199 0.000 0.220 278 A C 2.064 179.533 177.584 -0.192 0.000 1.164 278 A CA 1.234 53.253 52.037 -0.030 0.000 0.643 278 A CB -1.166 17.894 19.000 0.100 0.000 0.806 278 A HN 0.696 nan 8.150 nan 0.000 0.451 279 I N 0.053 120.398 120.570 -0.374 0.000 2.399 279 I HA -0.214 4.075 4.170 0.199 0.000 0.254 279 I C 2.290 178.287 176.117 -0.200 0.000 1.146 279 I CA 1.529 62.629 61.300 -0.333 0.000 1.412 279 I CB -1.636 36.105 38.000 -0.431 0.000 1.076 279 I HN 0.380 nan 8.210 nan 0.000 0.432 280 G N 0.171 108.873 108.800 -0.163 0.000 3.124 280 G HA2 -0.020 4.059 3.960 0.199 0.000 0.212 280 G HA3 -0.020 4.059 3.960 0.199 0.000 0.212 280 G C 1.547 176.212 174.900 -0.391 0.000 1.181 280 G CA -0.185 44.807 45.100 -0.179 0.000 0.803 280 G HN 0.264 nan 8.290 nan 0.000 0.529 281 L N 2.017 123.039 121.223 -0.335 0.000 2.043 281 L HA -0.157 4.303 4.340 0.199 0.000 0.212 281 L C 3.010 179.713 176.870 -0.279 0.000 1.075 281 L CA 2.620 57.240 54.840 -0.365 0.000 0.752 281 L CB -0.598 41.228 42.059 -0.388 0.000 0.891 281 L HN 0.309 nan 8.230 nan 0.000 0.432 282 S N -1.155 114.430 115.700 -0.193 0.000 2.419 282 S HA -0.174 4.415 4.470 0.199 0.000 0.233 282 S C 2.022 176.581 174.600 -0.068 0.000 1.016 282 S CA 1.481 59.601 58.200 -0.133 0.000 0.974 282 S CB -0.952 62.182 63.200 -0.110 0.000 0.786 282 S HN 0.543 nan 8.310 nan 0.000 0.492 283 I N 2.189 122.698 120.570 -0.102 0.000 2.193 283 I HA -0.092 4.197 4.170 0.199 0.000 0.240 283 I C 3.108 179.173 176.117 -0.087 0.000 1.084 283 I CA 1.077 62.351 61.300 -0.043 0.000 1.365 283 I CB -0.752 37.233 38.000 -0.024 0.000 1.064 283 I HN 0.399 nan 8.210 nan 0.000 0.410 284 A N 1.073 123.683 122.820 -0.350 0.000 1.908 284 A HA -0.183 4.256 4.320 0.199 0.000 0.218 284 A C 2.310 179.851 177.584 -0.072 0.000 1.181 284 A CA 1.537 53.405 52.037 -0.282 0.000 0.627 284 A CB -0.963 17.769 19.000 -0.448 0.000 0.818 284 A HN 0.382 nan 8.150 nan 0.000 0.445 285 L N -1.780 119.387 121.223 -0.093 0.000 2.083 285 L HA -0.215 4.245 4.340 0.199 0.000 0.209 285 L C 2.662 179.534 176.870 0.005 0.000 1.083 285 L CA 1.777 56.576 54.840 -0.069 0.000 0.752 285 L CB -0.549 41.441 42.059 -0.116 0.000 0.899 285 L HN 0.599 nan 8.230 nan 0.000 0.433 286 H N -0.328 118.698 119.070 -0.072 0.000 2.333 286 H HA -0.085 4.590 4.556 0.198 0.000 0.302 286 H C 1.733 177.057 175.328 -0.007 0.000 1.075 286 H CA 1.838 57.864 56.048 -0.037 0.000 1.348 286 H CB 0.249 30.002 29.762 -0.016 0.000 1.393 286 H HN 0.175 nan 8.280 nan 0.000 0.509 287 V N -2.903 117.002 119.914 -0.014 0.000 3.528 287 V HA 0.523 4.762 4.120 0.199 0.000 0.294 287 V C 0.821 176.922 176.094 0.011 0.000 1.404 287 V CA 0.351 62.629 62.300 -0.038 0.000 1.065 287 V CB -0.233 31.605 31.823 0.024 0.000 0.904 287 V HN 0.676 nan 8.190 nan 0.000 0.435 288 G N -0.085 108.730 108.800 0.026 0.000 2.712 288 G HA2 -0.218 3.861 3.960 0.199 0.000 0.686 288 G HA3 -0.218 3.861 3.960 0.199 0.000 0.686 288 G C -0.416 174.566 174.900 0.136 0.000 1.321 288 G CA 0.003 45.149 45.100 0.077 0.000 0.813 288 G HN 0.269 nan 8.290 nan 0.000 0.599 289 F N 0.520 120.503 119.950 0.056 0.000 2.325 289 F HA 0.072 4.719 4.527 0.201 0.000 0.299 289 F C 2.375 178.267 175.800 0.152 0.000 1.090 289 F CA 1.961 60.039 58.000 0.130 0.000 1.392 289 F CB 0.133 39.195 39.000 0.103 0.000 1.053 289 F HN 0.521 nan 8.300 nan 0.000 0.521 290 D N -0.077 120.447 120.400 0.206 0.000 2.097 290 D HA -0.185 4.574 4.640 0.199 0.000 0.195 290 D C 1.933 178.251 176.300 0.029 0.000 0.989 290 D CA 1.166 55.237 54.000 0.118 0.000 0.827 290 D CB -0.448 40.408 40.800 0.095 0.000 0.966 290 D HN 0.201 nan 8.370 nan 0.000 0.456 291 N N -0.128 118.581 118.700 0.014 0.000 2.244 291 N HA -0.131 4.729 4.740 0.199 0.000 0.183 291 N C 1.634 177.107 175.510 -0.061 0.000 1.016 291 N CA 0.253 53.269 53.050 -0.057 0.000 0.866 291 N CB -0.354 38.090 38.487 -0.071 0.000 0.980 291 N HN 0.166 nan 8.380 nan 0.000 0.430 292 F N 2.304 122.117 119.950 -0.229 0.000 2.186 292 F HA -0.046 4.603 4.527 0.204 0.000 0.299 292 F C 2.030 177.665 175.800 -0.276 0.000 1.090 292 F CA 1.196 59.007 58.000 -0.316 0.000 1.307 292 F CB -0.063 38.591 39.000 -0.577 0.000 1.019 292 F HN 0.031 nan 8.300 nan 0.000 0.489 293 E N -0.514 119.515 120.200 -0.285 0.000 2.208 293 E HA -0.217 4.252 4.350 0.199 0.000 0.193 293 E C 2.096 178.608 176.600 -0.147 0.000 0.988 293 E CA 1.012 57.277 56.400 -0.224 0.000 0.828 293 E CB -0.186 29.495 29.700 -0.031 0.000 0.763 293 E HN 0.586 nan 8.360 nan 0.000 0.478 294 Q N 0.443 120.178 119.800 -0.108 0.000 2.079 294 Q HA -0.151 4.309 4.340 0.199 0.000 0.200 294 Q C 2.285 178.241 176.000 -0.073 0.000 0.974 294 Q CA 0.844 56.629 55.803 -0.030 0.000 0.840 294 Q CB -0.076 28.629 28.738 -0.055 0.000 0.898 294 Q HN 0.178 nan 8.270 nan 0.000 0.430 295 L N 0.581 121.704 121.223 -0.165 0.000 2.012 295 L HA -0.202 4.257 4.340 0.199 0.000 0.210 295 L C 1.885 178.698 176.870 -0.094 0.000 1.073 295 L CA 1.715 56.467 54.840 -0.148 0.000 0.748 295 L CB -0.391 41.548 42.059 -0.201 0.000 0.891 295 L HN 0.207 nan 8.230 nan 0.000 0.431 296 L N -1.219 119.874 121.223 -0.217 0.000 2.046 296 L HA -0.183 4.276 4.340 0.199 0.000 0.208 296 L C 2.485 179.286 176.870 -0.116 0.000 1.077 296 L CA 1.352 56.103 54.840 -0.149 0.000 0.747 296 L CB -0.802 41.103 42.059 -0.257 0.000 0.896 296 L HN 0.238 nan 8.230 nan 0.000 0.432 297 S N 0.172 115.822 115.700 -0.084 0.000 2.382 297 S HA -0.118 4.471 4.470 0.199 0.000 0.228 297 S C 2.055 176.539 174.600 -0.193 0.000 1.027 297 S CA 1.194 59.416 58.200 0.037 0.000 0.991 297 S CB -0.567 62.754 63.200 0.202 0.000 0.823 297 S HN 0.613 nan 8.310 nan 0.000 0.469 298 G N 1.336 109.700 108.800 -0.726 0.000 2.418 298 G HA2 -0.061 4.019 3.960 0.199 0.000 0.217 298 G HA3 -0.061 4.019 3.960 0.199 0.000 0.217 298 G C 1.545 176.162 174.900 -0.472 0.000 1.158 298 G CA 0.875 45.131 45.100 -1.406 0.000 0.771 298 G HN 0.575 nan 8.290 nan 0.000 0.545 299 A N 0.231 122.885 122.820 -0.277 0.000 1.930 299 A HA -0.058 4.381 4.320 0.199 0.000 0.217 299 A C 2.112 179.647 177.584 -0.082 0.000 1.175 299 A CA 2.016 53.904 52.037 -0.249 0.000 0.627 299 A CB -0.717 17.855 19.000 -0.713 0.000 0.815 299 A HN 0.492 nan 8.150 nan 0.000 0.443 300 H N -2.197 116.796 119.070 -0.128 0.000 2.387 300 H HA -0.187 4.493 4.556 0.207 0.000 0.299 300 H C 1.717 177.092 175.328 0.078 0.000 1.090 300 H CA 1.969 58.007 56.048 -0.017 0.000 1.332 300 H CB -0.422 29.341 29.762 0.002 0.000 1.386 300 H HN 0.690 nan 8.280 nan 0.000 0.516 301 W N 0.032 121.290 121.300 -0.070 0.000 2.358 301 W HA -0.225 4.451 4.660 0.025 0.000 0.303 301 W C 2.268 178.785 176.519 -0.004 0.000 1.208 301 W CA 1.756 59.087 57.345 -0.023 0.000 1.274 301 W CB -0.254 29.274 29.460 0.114 0.000 1.138 301 W HN 0.275 nan 8.180 nan 0.000 0.515 302 M N 0.886 120.679 119.600 0.322 0.000 2.229 302 M HA -0.152 4.447 4.480 0.199 0.000 0.264 302 M C 1.369 177.787 176.300 0.196 0.000 1.063 302 M CA 1.966 57.440 55.300 0.290 0.000 1.114 302 M CB -0.810 31.962 32.600 0.288 0.000 1.387 302 M HN -0.130 nan 8.290 nan 0.000 0.420 303 D N -0.219 120.280 120.400 0.165 0.000 2.117 303 D HA -0.184 4.575 4.640 0.199 0.000 0.197 303 D C 1.995 178.289 176.300 -0.010 0.000 0.987 303 D CA 1.364 55.532 54.000 0.281 0.000 0.829 303 D CB -0.326 40.657 40.800 0.305 0.000 0.961 303 D HN 0.551 nan 8.370 nan 0.000 0.460 304 Q N -0.577 119.063 119.800 -0.267 0.000 2.079 304 Q HA -0.177 4.283 4.340 0.199 0.000 0.200 304 Q C 2.074 177.820 176.000 -0.423 0.000 0.974 304 Q CA 1.179 56.729 55.803 -0.420 0.000 0.840 304 Q CB -0.189 28.237 28.738 -0.520 0.000 0.898 304 Q HN 0.471 nan 8.270 nan 0.000 0.430 305 H N 0.072 118.806 119.070 -0.561 0.000 2.319 305 H HA -0.194 4.457 4.556 0.158 0.000 0.299 305 H C 1.665 176.872 175.328 -0.203 0.000 1.092 305 H CA 1.825 57.583 56.048 -0.483 0.000 1.302 305 H CB -0.267 29.155 29.762 -0.567 0.000 1.373 305 H HN 0.254 nan 8.280 nan 0.000 0.497 306 F N 1.049 120.813 119.950 -0.311 0.000 2.234 306 F HA -0.003 4.637 4.527 0.189 0.000 0.299 306 F C 2.554 178.097 175.800 -0.429 0.000 1.087 306 F CA 1.513 59.321 58.000 -0.321 0.000 1.340 306 F CB -0.373 38.487 39.000 -0.234 0.000 1.031 306 F HN 0.104 nan 8.300 nan 0.000 0.500 307 R N -0.548 119.536 120.500 -0.693 0.000 2.140 307 R HA -0.028 4.431 4.340 0.199 0.000 0.213 307 R C 1.746 177.676 176.300 -0.616 0.000 1.059 307 R CA 1.570 57.134 56.100 -0.894 0.000 1.000 307 R CB -0.207 29.445 30.300 -1.080 0.000 0.910 307 R HN 0.420 nan 8.270 nan 0.000 0.455 308 T N -3.138 111.119 114.554 -0.494 0.000 3.023 308 T HA 0.172 4.641 4.350 0.199 0.000 0.253 308 T C 0.363 174.865 174.700 -0.331 0.000 1.038 308 T CA -0.254 61.620 62.100 -0.376 0.000 0.962 308 T CB 0.553 69.230 68.868 -0.318 0.000 1.018 308 T HN -0.120 nan 8.240 nan 0.000 0.521 309 T N 4.511 118.827 114.554 -0.396 0.000 2.806 309 T HA 0.472 4.942 4.350 0.199 0.000 0.290 309 T C -2.710 171.835 174.700 -0.258 0.000 0.966 309 T CA -1.153 60.743 62.100 -0.339 0.000 1.060 309 T CB 1.256 69.810 68.868 -0.524 0.000 0.927 309 T HN 0.073 nan 8.240 nan 0.000 0.485 310 P HA 0.091 nan 4.420 nan 0.000 0.262 310 P C 1.106 178.333 177.300 -0.122 0.000 1.182 310 P CA -0.044 62.971 63.100 -0.141 0.000 0.761 310 P CB 0.386 32.021 31.700 -0.108 0.000 0.795 311 L N 3.038 124.195 121.223 -0.110 0.000 2.103 311 L HA -0.282 4.177 4.340 0.199 0.000 0.215 311 L C 2.253 179.089 176.870 -0.058 0.000 1.080 311 L CA 1.994 56.788 54.840 -0.076 0.000 0.764 311 L CB -0.973 41.045 42.059 -0.069 0.000 0.890 311 L HN 0.557 nan 8.230 nan 0.000 0.435 312 E N 0.973 121.137 120.200 -0.060 0.000 2.265 312 E HA -0.273 4.197 4.350 0.199 0.000 0.196 312 E C 1.797 178.385 176.600 -0.022 0.000 0.996 312 E CA 1.396 57.770 56.400 -0.044 0.000 0.832 312 E CB -0.112 29.562 29.700 -0.045 0.000 0.756 312 E HN 0.446 nan 8.360 nan 0.000 0.491 313 K N 0.539 120.930 120.400 -0.015 0.000 2.592 313 K HA 0.108 4.547 4.320 0.199 0.000 0.203 313 K C -0.285 176.361 176.600 0.075 0.000 1.070 313 K CA -0.317 55.994 56.287 0.040 0.000 1.062 313 K CB 0.483 33.005 32.500 0.036 0.000 0.814 313 K HN -0.077 nan 8.250 nan 0.000 0.502 314 N N 1.091 119.806 118.700 0.025 0.000 2.420 314 N HA 0.125 4.985 4.740 0.199 0.000 0.249 314 N C 0.656 176.283 175.510 0.195 0.000 1.033 314 N CA 0.174 53.249 53.050 0.040 0.000 0.944 314 N CB 1.607 40.082 38.487 -0.020 0.000 1.113 314 N HN 0.254 nan 8.380 nan 0.000 0.502 315 A N 7.291 130.388 122.820 0.462 0.000 1.859 315 A HA -0.117 4.323 4.320 0.199 0.000 0.218 315 A C -0.518 177.143 177.584 0.128 0.000 1.209 315 A CA 1.522 53.711 52.037 0.252 0.000 0.639 315 A CB -1.448 17.675 19.000 0.206 0.000 0.835 315 A HN 0.650 nan 8.150 nan 0.000 0.450 316 P HA -0.093 nan 4.420 nan 0.000 0.218 316 P C 1.585 178.912 177.300 0.044 0.000 1.148 316 P CA 1.617 64.738 63.100 0.035 0.000 0.822 316 P CB -0.252 31.393 31.700 -0.091 0.000 0.784 317 V N 0.309 120.286 119.914 0.104 0.000 2.358 317 V HA -0.199 4.040 4.120 0.199 0.000 0.246 317 V C 2.850 178.942 176.094 -0.002 0.000 1.047 317 V CA 1.457 63.808 62.300 0.085 0.000 1.035 317 V CB -1.180 30.711 31.823 0.112 0.000 0.658 317 V HN 0.002 nan 8.190 nan 0.000 0.452 318 L N -0.734 120.462 121.223 -0.044 0.000 2.017 318 L HA -0.190 4.270 4.340 0.199 0.000 0.208 318 L C 2.439 179.242 176.870 -0.112 0.000 1.073 318 L CA 1.555 56.297 54.840 -0.164 0.000 0.745 318 L CB -0.592 41.267 42.059 -0.333 0.000 0.894 318 L HN 0.286 nan 8.230 nan 0.000 0.432 319 L N -0.386 120.817 121.223 -0.034 0.000 2.042 319 L HA -0.230 4.229 4.340 0.199 0.000 0.210 319 L C 2.896 179.810 176.870 0.073 0.000 1.076 319 L CA 1.266 56.137 54.840 0.052 0.000 0.749 319 L CB -0.765 41.345 42.059 0.085 0.000 0.893 319 L HN 0.265 nan 8.230 nan 0.000 0.432 320 A N -0.349 122.493 122.820 0.037 0.000 1.877 320 A HA -0.213 4.226 4.320 0.199 0.000 0.216 320 A C 2.258 179.833 177.584 -0.015 0.000 1.186 320 A CA 1.649 53.690 52.037 0.006 0.000 0.620 320 A CB -0.379 18.602 19.000 -0.031 0.000 0.822 320 A HN 0.279 nan 8.150 nan 0.000 0.443 321 M N -0.383 119.200 119.600 -0.028 0.000 2.229 321 M HA 0.019 4.618 4.480 0.199 0.000 0.264 321 M C 2.070 178.383 176.300 0.022 0.000 1.063 321 M CA 0.997 56.281 55.300 -0.027 0.000 1.114 321 M CB -1.498 31.066 32.600 -0.061 0.000 1.387 321 M HN 0.365 nan 8.290 nan 0.000 0.420 322 L N -0.669 120.569 121.223 0.025 0.000 2.093 322 L HA -0.111 4.348 4.340 0.199 0.000 0.208 322 L C 2.583 179.552 176.870 0.164 0.000 1.085 322 L CA 1.222 56.098 54.840 0.061 0.000 0.755 322 L CB -1.191 40.947 42.059 0.132 0.000 0.904 322 L HN 0.376 nan 8.230 nan 0.000 0.435 323 G N 0.243 109.175 108.800 0.220 0.000 2.418 323 G HA2 -0.213 3.866 3.960 0.199 0.000 0.217 323 G HA3 -0.213 3.866 3.960 0.199 0.000 0.217 323 G C 1.511 176.595 174.900 0.307 0.000 1.158 323 G CA 0.371 45.656 45.100 0.308 0.000 0.771 323 G HN 0.137 nan 8.290 nan 0.000 0.545 324 I N 0.023 120.715 120.570 0.204 0.000 2.208 324 I HA -0.163 4.126 4.170 0.199 0.000 0.245 324 I C 2.396 178.718 176.117 0.342 0.000 1.097 324 I CA 0.794 62.240 61.300 0.244 0.000 1.363 324 I CB -1.176 36.882 38.000 0.097 0.000 1.051 324 I HN 0.485 nan 8.210 nan 0.000 0.413 325 W N 1.312 122.632 121.300 0.033 0.000 2.333 325 W HA -0.323 4.457 4.660 0.201 0.000 0.316 325 W C 2.599 179.192 176.519 0.123 0.000 1.215 325 W CA 1.486 58.824 57.345 -0.013 0.000 1.278 325 W CB -0.484 28.857 29.460 -0.198 0.000 1.154 325 W HN 0.088 nan 8.180 nan 0.000 0.486 326 Y N 0.479 120.984 120.300 0.341 0.000 2.242 326 Y HA -0.173 4.496 4.550 0.198 0.000 0.291 326 Y C 2.498 178.514 175.900 0.194 0.000 1.137 326 Y CA 1.537 59.761 58.100 0.206 0.000 1.181 326 Y CB -1.162 37.393 38.460 0.158 0.000 0.989 326 Y HN -0.067 nan 8.280 nan 0.000 0.527 327 I N -0.133 120.664 120.570 0.378 0.000 2.162 327 I HA -0.280 4.009 4.170 0.199 0.000 0.238 327 I C 1.450 177.718 176.117 0.251 0.000 1.076 327 I CA 1.714 63.207 61.300 0.321 0.000 1.353 327 I CB -0.375 37.884 38.000 0.432 0.000 1.063 327 I HN 0.174 nan 8.210 nan 0.000 0.408 328 N N -0.822 118.054 118.700 0.294 0.000 2.416 328 N HA -0.031 4.828 4.740 0.199 0.000 0.177 328 N C 1.537 177.074 175.510 0.045 0.000 1.036 328 N CA 0.606 53.818 53.050 0.269 0.000 0.901 328 N CB 0.180 38.965 38.487 0.497 0.000 0.976 328 N HN 0.315 nan 8.380 nan 0.000 0.444 329 C N -1.158 118.044 119.300 -0.163 0.000 2.406 329 C HA 0.261 4.840 4.460 0.199 0.000 0.343 329 C C 1.780 176.207 174.990 -0.939 0.000 1.397 329 C CA -0.200 58.390 59.018 -0.714 0.000 2.069 329 C CB -0.818 26.264 27.740 -1.097 0.000 2.374 329 C HN 0.351 nan 8.230 nan 0.000 0.545 330 F N 1.183 120.829 119.950 -0.507 0.000 2.664 330 F HA 0.250 4.896 4.527 0.199 0.000 0.296 330 F C 2.044 177.811 175.800 -0.055 0.000 1.125 330 F CA 1.259 59.135 58.000 -0.206 0.000 1.444 330 F CB -0.356 38.632 39.000 -0.021 0.000 1.114 330 F HN 0.395 nan 8.300 nan 0.000 0.576 331 G N 0.114 108.982 108.800 0.114 0.000 2.160 331 G HA2 -0.306 3.774 3.960 0.199 0.000 0.251 331 G HA3 -0.306 3.774 3.960 0.199 0.000 0.251 331 G C -0.013 174.966 174.900 0.133 0.000 1.008 331 G CA -0.090 45.074 45.100 0.106 0.000 0.724 331 G HN 0.295 nan 8.290 nan 0.000 0.514 332 C N 0.729 120.138 119.300 0.181 0.000 2.627 332 C HA 0.298 4.877 4.460 0.199 0.000 0.404 332 C C 1.868 176.938 174.990 0.133 0.000 1.340 332 C CA -0.035 59.071 59.018 0.147 0.000 1.758 332 C CB 0.246 28.073 27.740 0.145 0.000 2.501 332 C HN 0.626 nan 8.230 nan 0.000 0.588 333 E N 0.731 120.989 120.200 0.096 0.000 2.208 333 E HA -0.087 4.383 4.350 0.199 0.000 0.193 333 E C 1.212 177.876 176.600 0.107 0.000 0.988 333 E CA 1.062 57.509 56.400 0.078 0.000 0.828 333 E CB 0.256 29.978 29.700 0.037 0.000 0.763 333 E HN 0.902 nan 8.360 nan 0.000 0.478 334 T N -1.894 112.747 114.554 0.145 0.000 2.940 334 T HA 0.460 4.929 4.350 0.199 0.000 0.288 334 T C -0.729 174.095 174.700 0.206 0.000 1.045 334 T CA -0.996 61.239 62.100 0.225 0.000 1.018 334 T CB 2.248 71.341 68.868 0.375 0.000 1.151 334 T HN -0.157 nan 8.240 nan 0.000 0.529 335 Q N 0.503 120.416 119.800 0.188 0.000 2.275 335 Q HA 0.664 5.124 4.340 0.199 0.000 0.266 335 Q C -1.241 174.642 176.000 -0.195 0.000 1.002 335 Q CA -0.470 55.354 55.803 0.036 0.000 0.761 335 Q CB 1.568 30.341 28.738 0.059 0.000 1.255 335 Q HN 1.135 nan 8.270 nan 0.000 0.446 336 A N 3.064 125.657 122.820 -0.377 0.000 2.310 336 A HA 0.766 5.206 4.320 0.199 0.000 0.299 336 A C -0.914 176.420 177.584 -0.417 0.000 1.147 336 A CA -0.528 51.039 52.037 -0.784 0.000 0.818 336 A CB 1.111 19.526 19.000 -0.976 0.000 1.096 336 A HN 0.558 nan 8.150 nan 0.000 0.495 337 V N 3.644 123.327 119.914 -0.384 0.000 2.376 337 V HA 0.345 4.584 4.120 0.199 0.000 0.287 337 V C -0.590 175.459 176.094 -0.075 0.000 1.015 337 V CA -0.059 62.163 62.300 -0.130 0.000 0.834 337 V CB 0.920 32.701 31.823 -0.071 0.000 1.001 337 V HN 0.713 nan 8.190 nan 0.000 0.428 338 L N 7.384 128.577 121.223 -0.049 0.000 2.408 338 L HA 0.448 4.907 4.340 0.199 0.000 0.257 338 L C -2.638 174.351 176.870 0.199 0.000 1.053 338 L CA -1.557 53.271 54.840 -0.020 0.000 0.922 338 L CB 1.803 43.670 42.059 -0.320 0.000 1.261 338 L HN 0.408 nan 8.230 nan 0.000 0.458 339 P HA 0.114 nan 4.420 nan 0.000 0.287 339 P C -0.869 176.609 177.300 0.296 0.000 1.294 339 P CA -0.216 63.072 63.100 0.314 0.000 0.776 339 P CB 0.426 32.255 31.700 0.216 0.000 0.889 340 Y N 2.232 122.661 120.300 0.215 0.000 2.735 340 Y HA 0.314 4.983 4.550 0.200 0.000 0.354 340 Y C 0.205 176.187 175.900 0.136 0.000 1.288 340 Y CA 0.135 58.347 58.100 0.187 0.000 1.836 340 Y CB -0.358 38.257 38.460 0.258 0.000 1.920 340 Y HN 0.362 nan 8.280 nan 0.000 0.438 341 D N -0.563 119.946 120.400 0.183 0.000 2.688 341 D HA 0.094 4.853 4.640 0.199 0.000 0.210 341 D C 0.597 176.976 176.300 0.131 0.000 1.333 341 D CA -0.285 53.820 54.000 0.175 0.000 0.920 341 D CB 1.123 42.062 40.800 0.231 0.000 1.554 341 D HN 0.017 nan 8.370 nan 0.000 0.579 342 Q N 2.148 121.973 119.800 0.042 0.000 2.170 342 Q HA -0.128 4.332 4.340 0.199 0.000 0.203 342 Q C 0.850 176.915 176.000 0.109 0.000 0.976 342 Q CA 1.740 57.536 55.803 -0.011 0.000 0.858 342 Q CB -0.166 28.468 28.738 -0.173 0.000 0.907 342 Q HN 0.772 nan 8.270 nan 0.000 0.433 343 Y N -0.773 119.636 120.300 0.180 0.000 2.333 343 Y HA -0.096 4.573 4.550 0.198 0.000 0.290 343 Y C 1.071 177.092 175.900 0.203 0.000 1.144 343 Y CA 0.333 58.557 58.100 0.208 0.000 1.228 343 Y CB 0.225 38.780 38.460 0.159 0.000 0.985 343 Y HN 0.039 nan 8.280 nan 0.000 0.542 344 L N 1.463 122.871 121.223 0.309 0.000 2.715 344 L HA -0.033 4.426 4.340 0.199 0.000 0.238 344 L C 1.798 178.798 176.870 0.217 0.000 1.212 344 L CA -0.125 54.836 54.840 0.202 0.000 1.017 344 L CB -0.517 41.597 42.059 0.091 0.000 1.269 344 L HN 0.473 nan 8.230 nan 0.000 0.452 345 H N -0.726 118.434 119.070 0.150 0.000 2.543 345 H HA -0.032 4.644 4.556 0.199 0.000 0.286 345 H C 1.256 176.659 175.328 0.125 0.000 1.037 345 H CA 0.559 56.679 56.048 0.120 0.000 1.250 345 H CB 0.177 29.982 29.762 0.072 0.000 1.373 345 H HN 0.267 nan 8.280 nan 0.000 0.580 346 R N -0.611 119.726 120.500 -0.272 0.000 2.472 346 R HA 0.066 4.526 4.340 0.199 0.000 0.279 346 R C 1.171 177.487 176.300 0.026 0.000 0.953 346 R CA -0.364 55.633 56.100 -0.171 0.000 1.088 346 R CB -0.502 29.598 30.300 -0.333 0.000 1.197 346 R HN 0.236 nan 8.270 nan 0.000 0.536 347 F N 1.878 121.818 119.950 -0.017 0.000 2.075 347 F HA -0.166 4.479 4.527 0.197 0.000 0.297 347 F C 2.202 178.112 175.800 0.184 0.000 1.113 347 F CA 1.821 59.879 58.000 0.097 0.000 1.218 347 F CB -0.154 38.941 39.000 0.158 0.000 0.984 347 F HN 0.054 nan 8.300 nan 0.000 0.472 348 A N 0.225 123.176 122.820 0.219 0.000 1.908 348 A HA -0.098 4.341 4.320 0.199 0.000 0.218 348 A C 2.383 179.975 177.584 0.012 0.000 1.181 348 A CA 1.906 53.992 52.037 0.081 0.000 0.627 348 A CB -1.584 17.468 19.000 0.086 0.000 0.818 348 A HN 0.502 nan 8.150 nan 0.000 0.445 349 A N -1.576 121.254 122.820 0.017 0.000 1.933 349 A HA -0.105 4.334 4.320 0.199 0.000 0.218 349 A C 2.120 179.639 177.584 -0.108 0.000 1.175 349 A CA 1.651 53.670 52.037 -0.029 0.000 0.628 349 A CB -0.800 18.189 19.000 -0.019 0.000 0.814 349 A HN 0.741 nan 8.150 nan 0.000 0.444 350 Y N -0.623 119.513 120.300 -0.273 0.000 2.128 350 Y HA -0.219 4.450 4.550 0.198 0.000 0.284 350 Y C 1.820 177.384 175.900 -0.558 0.000 1.154 350 Y CA 2.039 59.863 58.100 -0.460 0.000 1.149 350 Y CB -0.447 37.635 38.460 -0.630 0.000 0.976 350 Y HN 0.283 nan 8.280 nan 0.000 0.505 351 F N 0.165 119.908 119.950 -0.345 0.000 2.558 351 F HA -0.084 4.563 4.527 0.200 0.000 0.298 351 F C 2.571 178.185 175.800 -0.310 0.000 1.119 351 F CA 1.102 58.859 58.000 -0.404 0.000 1.451 351 F CB -0.345 38.387 39.000 -0.447 0.000 1.091 351 F HN 0.151 nan 8.300 nan 0.000 0.563 352 Q N 0.650 120.384 119.800 -0.109 0.000 2.124 352 Q HA -0.283 4.176 4.340 0.199 0.000 0.202 352 Q C 2.249 178.167 176.000 -0.136 0.000 0.977 352 Q CA 1.875 57.634 55.803 -0.074 0.000 0.850 352 Q CB -0.100 28.610 28.738 -0.045 0.000 0.901 352 Q HN 0.555 nan 8.270 nan 0.000 0.429 353 Q N -0.899 118.747 119.800 -0.257 0.000 2.008 353 Q HA -0.086 4.374 4.340 0.199 0.000 0.196 353 Q C 2.027 177.826 176.000 -0.336 0.000 0.973 353 Q CA 1.380 57.007 55.803 -0.294 0.000 0.826 353 Q CB -0.439 28.070 28.738 -0.380 0.000 0.894 353 Q HN 0.462 nan 8.270 nan 0.000 0.439 354 G N 1.139 109.616 108.800 -0.538 0.000 2.513 354 G HA2 -0.344 3.736 3.960 0.199 0.000 0.219 354 G HA3 -0.344 3.736 3.960 0.199 0.000 0.219 354 G C 1.255 176.044 174.900 -0.184 0.000 1.160 354 G CA 1.237 46.038 45.100 -0.499 0.000 0.767 354 G HN 0.468 nan 8.290 nan 0.000 0.571 355 D N 0.124 120.491 120.400 -0.054 0.000 2.106 355 D HA 0.006 4.765 4.640 0.199 0.000 0.203 355 D C 2.779 179.092 176.300 0.023 0.000 0.977 355 D CA 0.696 54.718 54.000 0.037 0.000 0.844 355 D CB -0.188 40.647 40.800 0.059 0.000 1.002 355 D HN 0.291 nan 8.370 nan 0.000 0.461 356 M N 0.456 120.051 119.600 -0.008 0.000 2.159 356 M HA -0.123 4.476 4.480 0.199 0.000 0.263 356 M C 2.162 178.451 176.300 -0.018 0.000 1.063 356 M CA 1.185 56.482 55.300 -0.005 0.000 1.110 356 M CB -0.171 32.419 32.600 -0.017 0.000 1.374 356 M HN 0.050 nan 8.290 nan 0.000 0.411 357 E N -0.299 119.868 120.200 -0.055 0.000 2.216 357 E HA -0.097 4.372 4.350 0.199 0.000 0.192 357 E C 1.733 178.317 176.600 -0.025 0.000 0.988 357 E CA 0.918 57.286 56.400 -0.052 0.000 0.834 357 E CB 0.298 29.940 29.700 -0.097 0.000 0.772 357 E HN 0.385 nan 8.360 nan 0.000 0.479 358 S N 0.825 116.514 115.700 -0.018 0.000 2.356 358 S HA 0.005 4.594 4.470 0.199 0.000 0.219 358 S C 1.301 175.914 174.600 0.022 0.000 1.036 358 S CA 0.699 58.897 58.200 -0.004 0.000 0.965 358 S CB 0.027 63.239 63.200 0.019 0.000 0.864 358 S HN 0.266 nan 8.310 nan 0.000 0.471 359 N N 1.002 119.747 118.700 0.075 0.000 2.230 359 N HA 0.172 5.031 4.740 0.199 0.000 0.202 359 N C 0.421 175.962 175.510 0.051 0.000 1.119 359 N CA 0.030 53.158 53.050 0.131 0.000 0.851 359 N CB 0.395 39.080 38.487 0.330 0.000 0.990 359 N HN 0.307 nan 8.380 nan 0.000 0.497 360 G N 1.093 109.911 108.800 0.030 0.000 3.101 360 G HA2 0.138 4.218 3.960 0.199 0.000 0.272 360 G HA3 0.138 4.218 3.960 0.199 0.000 0.272 360 G C 0.173 175.098 174.900 0.042 0.000 0.801 360 G CA -0.105 45.000 45.100 0.008 0.000 1.978 360 G HN -0.114 nan 8.290 nan 0.000 0.591 361 K N 0.570 120.992 120.400 0.037 0.000 2.443 361 K HA 0.327 4.766 4.320 0.199 0.000 0.251 361 K C -0.540 176.120 176.600 0.100 0.000 0.972 361 K CA -1.015 55.329 56.287 0.095 0.000 0.833 361 K CB 1.983 34.524 32.500 0.069 0.000 1.317 361 K HN 0.437 nan 8.250 nan 0.000 0.441 362 Y N -1.221 119.046 120.300 -0.055 0.000 2.672 362 Y HA 0.445 5.114 4.550 0.199 0.000 0.252 362 Y C -0.318 175.537 175.900 -0.074 0.000 1.132 362 Y CA -0.604 57.435 58.100 -0.102 0.000 1.228 362 Y CB 0.834 39.237 38.460 -0.094 0.000 1.310 362 Y HN 0.160 nan 8.280 nan 0.000 0.549 363 I N 2.924 123.232 120.570 -0.436 0.000 2.436 363 I HA 0.253 4.542 4.170 0.199 0.000 0.289 363 I C 0.437 176.472 176.117 -0.138 0.000 1.010 363 I CA -0.746 60.326 61.300 -0.379 0.000 1.098 363 I CB 1.773 39.510 38.000 -0.439 0.000 1.266 363 I HN 0.316 nan 8.210 nan 0.000 0.434 364 T N 2.442 116.946 114.554 -0.084 0.000 2.828 364 T HA 0.245 4.715 4.350 0.199 0.000 0.290 364 T C 1.092 175.800 174.700 0.014 0.000 1.019 364 T CA -0.462 61.637 62.100 -0.002 0.000 1.031 364 T CB 1.062 69.941 68.868 0.017 0.000 1.001 364 T HN 0.582 nan 8.240 nan 0.000 0.531 365 K N 0.610 121.040 120.400 0.050 0.000 2.281 365 K HA -0.080 4.359 4.320 0.199 0.000 0.203 365 K C 2.316 178.943 176.600 0.045 0.000 1.046 365 K CA 1.396 57.723 56.287 0.066 0.000 0.938 365 K CB -0.239 32.313 32.500 0.086 0.000 0.737 365 K HN 0.762 nan 8.250 nan 0.000 0.458 366 S N -0.829 114.888 115.700 0.028 0.000 2.548 366 S HA 0.159 4.748 4.470 0.199 0.000 0.215 366 S C 1.374 175.974 174.600 -0.001 0.000 0.976 366 S CA 0.274 58.485 58.200 0.018 0.000 0.908 366 S CB 0.500 63.710 63.200 0.018 0.000 0.781 366 S HN 0.427 nan 8.310 nan 0.000 0.519 367 G N 0.538 109.328 108.800 -0.017 0.000 2.176 367 G HA2 -0.046 4.033 3.960 0.199 0.000 0.232 367 G HA3 -0.046 4.033 3.960 0.199 0.000 0.232 367 G C 0.198 175.060 174.900 -0.064 0.000 0.986 367 G CA -0.186 44.887 45.100 -0.046 0.000 0.643 367 G HN 1.208 nan 8.290 nan 0.000 0.522 368 A N -0.091 122.699 122.820 -0.050 0.000 2.340 368 A HA 0.804 5.243 4.320 0.199 0.000 0.268 368 A C 0.605 178.137 177.584 -0.087 0.000 1.100 368 A CA 0.285 52.293 52.037 -0.049 0.000 0.803 368 A CB 0.543 19.532 19.000 -0.019 0.000 1.043 368 A HN 1.099 nan 8.150 nan 0.000 0.488 369 R N 1.688 122.144 120.500 -0.074 0.000 2.347 369 R HA 0.356 4.815 4.340 0.199 0.000 0.304 369 R C -0.054 176.202 176.300 -0.073 0.000 1.072 369 R CA 0.186 56.240 56.100 -0.077 0.000 0.980 369 R CB -0.189 30.120 30.300 0.016 0.000 0.986 369 R HN 0.940 nan 8.270 nan 0.000 0.448 370 V N 1.626 121.461 119.914 -0.131 0.000 2.963 370 V HA 0.239 4.478 4.120 0.199 0.000 0.306 370 V C 0.088 176.053 176.094 -0.215 0.000 1.077 370 V CA 0.015 62.148 62.300 -0.278 0.000 1.124 370 V CB 1.155 32.632 31.823 -0.576 0.000 0.987 370 V HN 0.995 nan 8.190 nan 0.000 0.487 371 D N 0.582 120.858 120.400 -0.206 0.000 2.623 371 D HA 0.228 4.987 4.640 0.199 0.000 0.252 371 D C -0.024 176.284 176.300 0.012 0.000 1.294 371 D CA 0.087 54.055 54.000 -0.053 0.000 0.824 371 D CB -0.527 40.292 40.800 0.032 0.000 1.070 371 D HN 1.040 nan 8.370 nan 0.000 0.487 372 H N -3.323 115.734 119.070 -0.021 0.000 2.990 372 H HA 0.535 5.211 4.556 0.199 0.000 0.343 372 H C -0.604 174.658 175.328 -0.110 0.000 1.270 372 H CA -0.990 55.044 56.048 -0.023 0.000 1.118 372 H CB 0.518 30.274 29.762 -0.010 0.000 1.861 372 H HN -0.300 nan 8.280 nan 0.000 0.544 373 Q N 0.636 120.473 119.800 0.062 0.000 2.394 373 Q HA 0.308 4.767 4.340 0.199 0.000 0.248 373 Q C 0.214 175.959 176.000 -0.425 0.000 0.992 373 Q CA 0.583 56.315 55.803 -0.119 0.000 0.888 373 Q CB 1.676 30.399 28.738 -0.026 0.000 1.257 373 Q HN 0.986 nan 8.270 nan 0.000 0.462 374 T N -2.763 111.393 114.554 -0.663 0.000 2.628 374 T HA 0.537 5.006 4.350 0.199 0.000 0.223 374 T C 0.571 174.626 174.700 -1.076 0.000 0.959 374 T CA -0.264 60.988 62.100 -1.414 0.000 1.113 374 T CB -0.364 68.018 68.868 -0.809 0.000 2.140 374 T HN 0.603 nan 8.240 nan 0.000 0.516 375 G N 3.183 111.597 108.800 -0.643 0.000 2.368 375 G HA2 0.430 4.509 3.960 0.199 0.000 0.233 375 G HA3 0.430 4.509 3.960 0.199 0.000 0.233 375 G C -2.176 172.718 174.900 -0.009 0.000 1.267 375 G CA -0.565 44.484 45.100 -0.084 0.000 0.873 375 G HN 0.711 nan 8.290 nan 0.000 0.539 376 P HA 0.407 nan 4.420 nan 0.000 0.283 376 P C -0.316 177.039 177.300 0.092 0.000 1.278 376 P CA -0.816 62.350 63.100 0.110 0.000 0.834 376 P CB 1.594 33.398 31.700 0.173 0.000 1.150 377 I N 0.687 121.316 120.570 0.097 0.000 2.337 377 I HA 0.136 4.426 4.170 0.199 0.000 0.291 377 I C 0.259 176.495 176.117 0.198 0.000 1.046 377 I CA -0.587 60.773 61.300 0.100 0.000 1.324 377 I CB 0.946 38.979 38.000 0.055 0.000 1.409 377 I HN -0.025 nan 8.210 nan 0.000 0.494 378 V N 7.546 127.552 119.914 0.153 0.000 2.481 378 V HA 0.471 4.711 4.120 0.199 0.000 0.286 378 V C -0.352 175.875 176.094 0.222 0.000 1.042 378 V CA -0.266 62.115 62.300 0.135 0.000 0.928 378 V CB 1.149 32.989 31.823 0.029 0.000 0.986 378 V HN 0.808 nan 8.190 nan 0.000 0.462 379 W N 2.826 124.083 121.300 -0.073 0.000 3.005 379 W HA 0.836 5.617 4.660 0.202 0.000 0.343 379 W C -0.314 176.143 176.519 -0.103 0.000 1.243 379 W CA -0.644 56.641 57.345 -0.100 0.000 1.186 379 W CB 1.284 30.658 29.460 -0.143 0.000 1.453 379 W HN 1.030 nan 8.180 nan 0.000 0.575 380 G N 0.816 109.591 108.800 -0.041 0.000 2.350 380 G HA2 0.368 4.447 3.960 0.199 0.000 0.304 380 G HA3 0.368 4.447 3.960 0.199 0.000 0.304 380 G C -2.082 172.852 174.900 0.058 0.000 1.421 380 G CA -0.903 44.068 45.100 -0.215 0.000 0.934 380 G HN 0.516 nan 8.290 nan 0.000 0.632 381 E N 0.216 120.524 120.200 0.180 0.000 2.331 381 E HA 0.496 4.965 4.350 0.199 0.000 0.275 381 E C -2.653 174.069 176.600 0.204 0.000 0.895 381 E CA -1.476 55.079 56.400 0.259 0.000 0.753 381 E CB 2.881 32.825 29.700 0.406 0.000 1.216 381 E HN 0.326 nan 8.360 nan 0.000 0.434 382 P HA 0.105 nan 4.420 nan 0.000 0.267 382 P C 0.048 177.256 177.300 -0.153 0.000 1.200 382 P CA -0.066 63.050 63.100 0.026 0.000 0.772 382 P CB 0.532 32.272 31.700 0.066 0.000 0.855 383 G N 0.003 108.493 108.800 -0.516 0.000 2.462 383 G HA2 0.411 4.491 3.960 0.199 0.000 0.319 383 G HA3 0.411 4.491 3.960 0.199 0.000 0.319 383 G C 0.826 175.320 174.900 -0.676 0.000 1.171 383 G CA -0.364 44.160 45.100 -0.961 0.000 0.920 383 G HN 0.504 nan 8.290 nan 0.000 0.499 384 T N -1.535 112.787 114.554 -0.386 0.000 3.129 384 T HA -0.020 4.449 4.350 0.199 0.000 0.251 384 T C 1.668 176.245 174.700 -0.204 0.000 1.117 384 T CA 0.435 62.368 62.100 -0.279 0.000 1.034 384 T CB -0.191 68.679 68.868 0.003 0.000 0.968 384 T HN 0.366 nan 8.240 nan 0.000 0.526 385 N N 2.300 120.885 118.700 -0.192 0.000 2.060 385 N HA -0.053 4.807 4.740 0.199 0.000 0.195 385 N C 2.120 177.494 175.510 -0.226 0.000 1.028 385 N CA 1.837 54.807 53.050 -0.132 0.000 0.861 385 N CB -0.902 37.528 38.487 -0.096 0.000 1.029 385 N HN 0.586 nan 8.380 nan 0.000 0.428 386 G N 0.225 108.752 108.800 -0.455 0.000 2.448 386 G HA2 -0.265 3.814 3.960 0.199 0.000 0.219 386 G HA3 -0.265 3.814 3.960 0.199 0.000 0.219 386 G C 1.241 175.374 174.900 -1.279 0.000 1.127 386 G CA 0.489 44.997 45.100 -0.987 0.000 0.766 386 G HN 0.395 nan 8.290 nan 0.000 0.552 387 Q N -0.447 118.562 119.800 -1.317 0.000 2.364 387 Q HA -0.044 4.415 4.340 0.199 0.000 0.209 387 Q C 1.571 177.223 176.000 -0.580 0.000 0.977 387 Q CA 0.797 55.953 55.803 -1.080 0.000 0.885 387 Q CB -0.043 28.262 28.738 -0.722 0.000 0.941 387 Q HN 0.632 nan 8.270 nan 0.000 0.464 388 H N -1.737 117.127 119.070 -0.343 0.000 2.551 388 H HA 0.368 5.044 4.556 0.199 0.000 0.271 388 H C 0.651 175.905 175.328 -0.123 0.000 0.984 388 H CA 0.470 56.414 56.048 -0.172 0.000 1.164 388 H CB 0.797 30.473 29.762 -0.144 0.000 1.437 388 H HN 0.248 nan 8.280 nan 0.000 0.550 389 A N 0.779 123.538 122.820 -0.102 0.000 2.446 389 A HA 0.159 4.599 4.320 0.199 0.000 0.199 389 A C 1.042 178.667 177.584 0.069 0.000 1.677 389 A CA -0.132 51.897 52.037 -0.013 0.000 1.600 389 A CB -0.931 18.075 19.000 0.009 0.000 1.583 389 A HN 0.118 nan 8.150 nan 0.000 0.551 390 F N -0.719 119.389 119.950 0.263 0.000 2.546 390 F HA 0.028 4.674 4.527 0.198 0.000 0.298 390 F C 1.581 177.634 175.800 0.422 0.000 1.120 390 F CA 0.746 58.936 58.000 0.317 0.000 1.456 390 F CB -0.868 38.347 39.000 0.359 0.000 1.088 390 F HN 0.284 nan 8.300 nan 0.000 0.572 391 Y N 1.339 121.626 120.300 -0.022 0.000 2.403 391 Y HA -0.175 4.494 4.550 0.198 0.000 0.291 391 Y C 2.597 178.676 175.900 0.298 0.000 1.143 391 Y CA 1.138 59.341 58.100 0.171 0.000 1.257 391 Y CB -1.102 37.421 38.460 0.105 0.000 0.984 391 Y HN 0.283 nan 8.280 nan 0.000 0.550 392 Q N 0.671 120.698 119.800 0.378 0.000 2.061 392 Q HA -0.209 4.251 4.340 0.199 0.000 0.204 392 Q C 2.188 178.361 176.000 0.288 0.000 0.984 392 Q CA 1.914 57.901 55.803 0.307 0.000 0.846 392 Q CB -0.757 28.102 28.738 0.202 0.000 0.902 392 Q HN 0.612 nan 8.270 nan 0.000 0.421 393 L N -0.734 120.650 121.223 0.270 0.000 2.156 393 L HA 0.010 4.470 4.340 0.199 0.000 0.208 393 L C 2.101 179.090 176.870 0.199 0.000 1.095 393 L CA 0.801 55.764 54.840 0.206 0.000 0.770 393 L CB -0.117 42.053 42.059 0.184 0.000 0.914 393 L HN 0.323 nan 8.230 nan 0.000 0.439 394 I N -0.904 119.804 120.570 0.230 0.000 2.226 394 I HA -0.304 3.986 4.170 0.199 0.000 0.245 394 I C 2.374 178.516 176.117 0.042 0.000 1.100 394 I CA 1.033 62.395 61.300 0.103 0.000 1.374 394 I CB -0.588 37.401 38.000 -0.017 0.000 1.057 394 I HN 0.363 nan 8.210 nan 0.000 0.413 395 H N 0.537 119.718 119.070 0.185 0.000 2.372 395 H HA 0.021 4.697 4.556 0.199 0.000 0.301 395 H C 1.174 176.617 175.328 0.191 0.000 1.065 395 H CA 1.162 57.356 56.048 0.244 0.000 1.364 395 H CB 0.266 30.264 29.762 0.394 0.000 1.406 395 H HN 0.464 nan 8.280 nan 0.000 0.521 396 Q N 0.031 119.973 119.800 0.238 0.000 2.110 396 Q HA 0.234 4.693 4.340 0.199 0.000 0.232 396 Q C 0.682 176.711 176.000 0.049 0.000 0.810 396 Q CA -0.347 55.493 55.803 0.062 0.000 1.083 396 Q CB 1.904 30.602 28.738 -0.065 0.000 1.193 396 Q HN 0.202 nan 8.270 nan 0.000 0.471 397 G N 0.459 109.307 108.800 0.080 0.000 2.510 397 G HA2 0.184 4.263 3.960 0.199 0.000 0.280 397 G HA3 0.184 4.263 3.960 0.199 0.000 0.280 397 G C 0.674 175.598 174.900 0.040 0.000 1.386 397 G CA 0.054 45.190 45.100 0.059 0.000 1.047 397 G HN 0.182 nan 8.290 nan 0.000 0.527 398 T N -2.693 111.881 114.554 0.034 0.000 3.174 398 T HA 0.403 4.873 4.350 0.199 0.000 0.269 398 T C 0.244 174.965 174.700 0.034 0.000 1.017 398 T CA -0.240 61.877 62.100 0.028 0.000 0.899 398 T CB 0.155 69.034 68.868 0.019 0.000 1.077 398 T HN 0.167 nan 8.240 nan 0.000 0.552 399 K N 1.627 122.051 120.400 0.040 0.000 2.270 399 K HA 0.580 5.019 4.320 0.199 0.000 0.255 399 K C -0.708 175.916 176.600 0.040 0.000 0.936 399 K CA -0.662 55.650 56.287 0.043 0.000 0.809 399 K CB 2.017 34.543 32.500 0.043 0.000 1.131 399 K HN 0.268 nan 8.250 nan 0.000 0.427 400 M N 4.683 124.303 119.600 0.033 0.000 2.146 400 M HA 0.418 5.017 4.480 0.199 0.000 0.357 400 M C -1.229 175.061 176.300 -0.016 0.000 1.261 400 M CA -0.131 55.162 55.300 -0.012 0.000 1.106 400 M CB 0.296 32.880 32.600 -0.026 0.000 1.612 400 M HN 0.567 nan 8.290 nan 0.000 0.470 401 I N 7.668 128.212 120.570 -0.044 0.000 2.493 401 I HA 0.373 4.662 4.170 0.199 0.000 0.279 401 I C -2.322 173.726 176.117 -0.115 0.000 1.045 401 I CA -1.954 59.341 61.300 -0.007 0.000 1.106 401 I CB 1.590 39.662 38.000 0.119 0.000 1.216 401 I HN 0.500 nan 8.210 nan 0.000 0.459 402 P HA 0.104 nan 4.420 nan 0.000 0.268 402 P C -0.940 176.299 177.300 -0.100 0.000 1.204 402 P CA -0.085 62.860 63.100 -0.259 0.000 0.768 402 P CB 0.470 32.004 31.700 -0.276 0.000 0.842 403 C N 2.778 122.058 119.300 -0.034 0.000 2.498 403 C HA 0.407 4.987 4.460 0.199 0.000 0.316 403 C C -0.356 174.741 174.990 0.179 0.000 1.209 403 C CA -0.348 58.682 59.018 0.020 0.000 1.518 403 C CB 1.397 29.194 27.740 0.096 0.000 2.147 403 C HN 0.487 nan 8.230 nan 0.000 0.483 404 D N 1.750 122.236 120.400 0.143 0.000 2.392 404 D HA 0.489 5.249 4.640 0.199 0.000 0.228 404 D C -0.769 175.709 176.300 0.297 0.000 1.074 404 D CA 0.007 54.173 54.000 0.278 0.000 0.838 404 D CB 0.616 41.592 40.800 0.292 0.000 1.067 404 D HN 0.250 nan 8.370 nan 0.000 0.511 405 F N 2.261 122.308 119.950 0.161 0.000 2.408 405 F HA 0.453 5.098 4.527 0.197 0.000 0.344 405 F C -0.031 176.063 175.800 0.490 0.000 1.112 405 F CA -0.637 57.491 58.000 0.213 0.000 1.096 405 F CB 0.810 39.647 39.000 -0.272 0.000 1.129 405 F HN 0.069 nan 8.300 nan 0.000 0.486 406 L N 5.114 126.772 121.223 0.724 0.000 2.381 406 L HA 0.717 5.176 4.340 0.199 0.000 0.268 406 L C -0.869 176.192 176.870 0.318 0.000 0.997 406 L CA -0.469 54.718 54.840 0.578 0.000 0.818 406 L CB 2.380 44.757 42.059 0.530 0.000 1.310 406 L HN 0.570 nan 8.230 nan 0.000 0.416 407 I N 2.424 122.831 120.570 -0.272 0.000 2.785 407 I HA 0.483 4.772 4.170 0.199 0.000 0.293 407 I C -2.861 172.556 176.117 -1.167 0.000 1.446 407 I CA -1.487 59.457 61.300 -0.594 0.000 1.028 407 I CB 3.427 40.858 38.000 -0.948 0.000 1.349 407 I HN 0.381 nan 8.210 nan 0.000 0.438 408 P HA 0.252 nan 4.420 nan 0.000 0.292 408 P C 0.431 177.623 177.300 -0.180 0.000 1.283 408 P CA -0.300 62.467 63.100 -0.554 0.000 0.835 408 P CB 1.999 33.713 31.700 0.022 0.000 1.017 409 V N 2.177 122.002 119.914 -0.148 0.000 2.295 409 V HA -0.182 4.057 4.120 0.199 0.000 0.246 409 V C 1.145 177.305 176.094 0.110 0.000 1.049 409 V CA 1.819 64.110 62.300 -0.016 0.000 1.024 409 V CB -0.912 30.887 31.823 -0.039 0.000 0.648 409 V HN 0.584 nan 8.190 nan 0.000 0.447 410 Q N -0.180 119.620 119.800 0.001 0.000 2.271 410 Q HA 0.400 4.859 4.340 0.199 0.000 0.258 410 Q C -0.097 175.751 176.000 -0.253 0.000 0.936 410 Q CA -0.105 55.637 55.803 -0.103 0.000 0.909 410 Q CB 1.847 30.560 28.738 -0.042 0.000 1.253 410 Q HN 0.353 nan 8.270 nan 0.000 0.440 411 T N 0.794 115.033 114.554 -0.526 0.000 2.918 411 T HA 0.072 4.541 4.350 0.199 0.000 0.283 411 T C 0.899 175.469 174.700 -0.217 0.000 1.001 411 T CA -0.420 61.400 62.100 -0.467 0.000 1.041 411 T CB 0.911 69.386 68.868 -0.654 0.000 1.028 411 T HN 0.504 nan 8.240 nan 0.000 0.511 412 Q N 1.211 120.925 119.800 -0.145 0.000 2.435 412 Q HA 0.029 4.489 4.340 0.199 0.000 0.207 412 Q C -0.070 175.594 176.000 -0.560 0.000 0.956 412 Q CA 0.982 56.609 55.803 -0.293 0.000 0.917 412 Q CB 0.133 28.733 28.738 -0.230 0.000 0.997 412 Q HN 0.630 nan 8.270 nan 0.000 0.497 413 H N 0.521 119.566 119.070 -0.043 0.000 2.488 413 H HA 0.192 4.868 4.556 0.200 0.000 0.237 413 H C -2.097 173.184 175.328 -0.078 0.000 1.395 413 H CA -1.690 54.323 56.048 -0.058 0.000 1.491 413 H CB 1.078 30.805 29.762 -0.059 0.000 1.567 413 H HN 0.019 nan 8.280 nan 0.000 0.508 414 P HA 0.037 nan 4.420 nan 0.000 0.238 414 P C 0.803 178.112 177.300 0.016 0.000 1.714 414 P CA -0.100 62.998 63.100 -0.004 0.000 0.908 414 P CB -0.788 30.896 31.700 -0.027 0.000 1.893 415 I N -3.306 117.266 120.570 0.003 0.000 3.060 415 I HA 0.218 4.507 4.170 0.199 0.000 0.285 415 I C 1.057 177.192 176.117 0.030 0.000 1.190 415 I CA -0.835 60.451 61.300 -0.024 0.000 1.363 415 I CB 0.011 37.930 38.000 -0.134 0.000 1.396 415 I HN -0.054 nan 8.210 nan 0.000 0.607 416 R N 1.902 122.424 120.500 0.038 0.000 3.516 416 R HA -0.195 4.264 4.340 0.199 0.000 0.271 416 R C -0.147 176.196 176.300 0.072 0.000 1.098 416 R CA 1.046 57.193 56.100 0.079 0.000 0.732 416 R CB -1.325 29.077 30.300 0.170 0.000 1.152 416 R HN 0.815 nan 8.270 nan 0.000 0.455 417 K N -2.495 117.933 120.400 0.047 0.000 3.071 417 K HA -0.213 4.227 4.320 0.199 0.000 0.265 417 K C 0.888 177.520 176.600 0.053 0.000 1.060 417 K CA 1.661 57.971 56.287 0.039 0.000 0.767 417 K CB -2.292 30.226 32.500 0.030 0.000 1.241 417 K HN 1.239 nan 8.250 nan 0.000 0.486 418 G N -0.768 108.077 108.800 0.075 0.000 2.157 418 G HA2 -0.379 3.700 3.960 0.199 0.000 0.248 418 G HA3 -0.379 3.700 3.960 0.199 0.000 0.248 418 G C 0.718 175.698 174.900 0.133 0.000 0.979 418 G CA 0.359 45.522 45.100 0.105 0.000 0.650 418 G HN 0.331 nan 8.290 nan 0.000 0.529 419 L N 0.513 121.817 121.223 0.134 0.000 2.012 419 L HA 0.064 4.523 4.340 0.199 0.000 0.210 419 L C 2.444 179.380 176.870 0.109 0.000 1.073 419 L CA 3.184 58.085 54.840 0.102 0.000 0.748 419 L CB -0.803 41.306 42.059 0.083 0.000 0.891 419 L HN 0.429 nan 8.230 nan 0.000 0.431 420 H N -2.064 117.039 119.070 0.056 0.000 2.321 420 H HA -0.173 4.502 4.556 0.198 0.000 0.300 420 H C 2.210 177.596 175.328 0.097 0.000 1.087 420 H CA 2.053 58.139 56.048 0.063 0.000 1.319 420 H CB -0.318 29.480 29.762 0.060 0.000 1.379 420 H HN 0.507 nan 8.280 nan 0.000 0.501 421 H N 0.489 119.648 119.070 0.149 0.000 2.423 421 H HA -0.042 4.632 4.556 0.197 0.000 0.297 421 H C 2.219 177.577 175.328 0.050 0.000 1.075 421 H CA 1.518 57.616 56.048 0.084 0.000 1.342 421 H CB 0.169 29.963 29.762 0.054 0.000 1.395 421 H HN 0.248 nan 8.280 nan 0.000 0.530 422 K N 0.127 120.560 120.400 0.056 0.000 2.057 422 K HA -0.096 4.343 4.320 0.199 0.000 0.207 422 K C 1.971 178.546 176.600 -0.041 0.000 1.049 422 K CA 1.720 57.999 56.287 -0.014 0.000 0.931 422 K CB -0.114 32.395 32.500 0.016 0.000 0.714 422 K HN 0.315 nan 8.250 nan 0.000 0.440 423 I N 0.983 121.542 120.570 -0.018 0.000 2.315 423 I HA -0.243 4.047 4.170 0.199 0.000 0.248 423 I C 2.294 178.417 176.117 0.010 0.000 1.117 423 I CA 0.438 61.729 61.300 -0.015 0.000 1.404 423 I CB -0.196 37.783 38.000 -0.035 0.000 1.071 423 I HN 0.210 nan 8.210 nan 0.000 0.419 424 L N 0.801 122.026 121.223 0.003 0.000 2.017 424 L HA -0.180 4.279 4.340 0.199 0.000 0.208 424 L C 2.327 179.213 176.870 0.027 0.000 1.073 424 L CA 1.852 56.729 54.840 0.062 0.000 0.745 424 L CB -0.445 41.630 42.059 0.026 0.000 0.894 424 L HN 0.111 nan 8.230 nan 0.000 0.432 425 L N -0.729 120.391 121.223 -0.172 0.000 2.046 425 L HA -0.204 4.255 4.340 0.199 0.000 0.208 425 L C 2.659 179.519 176.870 -0.016 0.000 1.077 425 L CA 1.253 55.991 54.840 -0.170 0.000 0.747 425 L CB -0.864 41.042 42.059 -0.255 0.000 0.896 425 L HN 0.387 nan 8.230 nan 0.000 0.432 426 A N -0.133 122.676 122.820 -0.019 0.000 1.902 426 A HA -0.216 4.224 4.320 0.199 0.000 0.217 426 A C 2.107 179.704 177.584 0.022 0.000 1.181 426 A CA 1.850 53.884 52.037 -0.006 0.000 0.623 426 A CB -0.575 18.415 19.000 -0.018 0.000 0.818 426 A HN 0.468 nan 8.150 nan 0.000 0.443 427 N N -1.261 117.484 118.700 0.075 0.000 2.142 427 N HA -0.125 4.734 4.740 0.199 0.000 0.186 427 N C 1.607 177.172 175.510 0.093 0.000 1.023 427 N CA 1.497 54.622 53.050 0.125 0.000 0.852 427 N CB -0.393 38.241 38.487 0.245 0.000 0.998 427 N HN 0.554 nan 8.380 nan 0.000 0.424 428 F N 2.234 122.072 119.950 -0.186 0.000 2.091 428 F HA -0.170 4.476 4.527 0.197 0.000 0.299 428 F C 2.127 177.737 175.800 -0.316 0.000 1.103 428 F CA 1.331 59.005 58.000 -0.543 0.000 1.228 428 F CB -0.322 38.346 39.000 -0.554 0.000 0.984 428 F HN -0.080 nan 8.300 nan 0.000 0.477 429 L N -0.067 121.141 121.223 -0.025 0.000 2.044 429 L HA -0.116 4.343 4.340 0.199 0.000 0.205 429 L C 2.847 179.588 176.870 -0.215 0.000 1.075 429 L CA 1.132 55.894 54.840 -0.131 0.000 0.747 429 L CB -1.269 40.779 42.059 -0.019 0.000 0.903 429 L HN 0.219 nan 8.230 nan 0.000 0.435 430 A N -0.843 121.897 122.820 -0.134 0.000 1.972 430 A HA -0.204 4.235 4.320 0.199 0.000 0.219 430 A C 2.295 179.798 177.584 -0.135 0.000 1.169 430 A CA 1.280 53.243 52.037 -0.124 0.000 0.635 430 A CB -0.344 18.610 19.000 -0.076 0.000 0.810 430 A HN 0.394 nan 8.150 nan 0.000 0.446 431 Q N -0.390 119.338 119.800 -0.120 0.000 2.016 431 Q HA -0.144 4.315 4.340 0.199 0.000 0.200 431 Q C 2.493 178.332 176.000 -0.270 0.000 0.978 431 Q CA 2.339 58.119 55.803 -0.039 0.000 0.833 431 Q CB -1.045 27.837 28.738 0.240 0.000 0.895 431 Q HN 0.870 nan 8.270 nan 0.000 0.427 432 T N -1.352 112.822 114.554 -0.633 0.000 2.833 432 T HA -0.170 4.300 4.350 0.199 0.000 0.269 432 T C 1.708 176.171 174.700 -0.395 0.000 1.054 432 T CA 1.484 63.166 62.100 -0.697 0.000 1.135 432 T CB -0.139 68.195 68.868 -0.891 0.000 0.869 432 T HN 0.382 nan 8.240 nan 0.000 0.466 433 E N 1.592 121.595 120.200 -0.329 0.000 2.051 433 E HA -0.099 4.370 4.350 0.199 0.000 0.192 433 E C 2.448 178.932 176.600 -0.193 0.000 0.991 433 E CA 1.082 57.323 56.400 -0.266 0.000 0.799 433 E CB -0.502 29.061 29.700 -0.230 0.000 0.748 433 E HN 0.647 nan 8.360 nan 0.000 0.449 434 A N 0.989 123.725 122.820 -0.139 0.000 1.930 434 A HA -0.098 4.341 4.320 0.199 0.000 0.217 434 A C 2.213 179.803 177.584 0.011 0.000 1.175 434 A CA 0.915 52.912 52.037 -0.068 0.000 0.627 434 A CB -0.572 18.397 19.000 -0.051 0.000 0.815 434 A HN 0.322 nan 8.150 nan 0.000 0.443 435 L N -1.280 119.929 121.223 -0.023 0.000 2.083 435 L HA -0.173 4.286 4.340 0.199 0.000 0.209 435 L C 2.811 179.645 176.870 -0.060 0.000 1.083 435 L CA 1.551 56.345 54.840 -0.076 0.000 0.752 435 L CB -0.319 41.605 42.059 -0.226 0.000 0.899 435 L HN 0.532 nan 8.230 nan 0.000 0.433 436 M N -0.426 119.111 119.600 -0.106 0.000 2.134 436 M HA -0.181 4.418 4.480 0.199 0.000 0.262 436 M C 2.244 178.516 176.300 -0.046 0.000 1.076 436 M CA 1.756 57.003 55.300 -0.088 0.000 1.143 436 M CB 0.048 32.538 32.600 -0.184 0.000 1.346 436 M HN 0.059 nan 8.290 nan 0.000 0.421 437 K N 0.058 120.414 120.400 -0.073 0.000 2.062 437 K HA 0.085 4.525 4.320 0.199 0.000 0.205 437 K C 1.132 177.742 176.600 0.016 0.000 1.051 437 K CA 0.650 56.913 56.287 -0.040 0.000 0.941 437 K CB -0.323 32.130 32.500 -0.078 0.000 0.719 437 K HN 0.611 nan 8.250 nan 0.000 0.440 438 G N 1.878 110.699 108.800 0.035 0.000 2.601 438 G HA2 -0.326 3.753 3.960 0.199 0.000 0.252 438 G HA3 -0.326 3.753 3.960 0.199 0.000 0.252 438 G C -0.643 174.304 174.900 0.078 0.000 1.294 438 G CA 0.054 45.225 45.100 0.119 0.000 0.912 438 G HN 0.259 nan 8.290 nan 0.000 0.574 439 K N -0.182 120.321 120.400 0.172 0.000 2.695 439 K HA 0.520 4.960 4.320 0.199 0.000 0.255 439 K C 0.551 177.237 176.600 0.144 0.000 1.016 439 K CA 0.159 56.525 56.287 0.131 0.000 0.928 439 K CB 0.821 33.407 32.500 0.142 0.000 1.235 439 K HN 1.304 nan 8.250 nan 0.000 0.467 440 S N 2.045 117.797 115.700 0.086 0.000 2.580 440 S HA 0.016 4.605 4.470 0.199 0.000 0.266 440 S C 1.142 175.776 174.600 0.056 0.000 1.354 440 S CA 0.136 58.374 58.200 0.065 0.000 1.008 440 S CB 0.985 64.212 63.200 0.045 0.000 0.898 440 S HN 0.575 nan 8.310 nan 0.000 0.555 441 T N 1.347 115.923 114.554 0.037 0.000 2.759 441 T HA -0.096 4.373 4.350 0.199 0.000 0.269 441 T C 1.640 176.356 174.700 0.027 0.000 1.042 441 T CA 1.675 63.791 62.100 0.026 0.000 1.140 441 T CB -0.443 68.432 68.868 0.011 0.000 0.864 441 T HN 0.625 nan 8.240 nan 0.000 0.455 442 E N 1.264 121.479 120.200 0.025 0.000 2.072 442 E HA -0.075 4.395 4.350 0.199 0.000 0.191 442 E C 2.296 178.910 176.600 0.023 0.000 0.985 442 E CA 0.972 57.385 56.400 0.021 0.000 0.801 442 E CB -0.249 29.462 29.700 0.018 0.000 0.750 442 E HN 0.645 nan 8.360 nan 0.000 0.452 443 E N 0.629 120.846 120.200 0.029 0.000 2.072 443 E HA -0.104 4.365 4.350 0.199 0.000 0.191 443 E C 2.014 178.633 176.600 0.032 0.000 0.985 443 E CA 0.994 57.410 56.400 0.027 0.000 0.801 443 E CB -0.097 29.620 29.700 0.028 0.000 0.750 443 E HN 0.185 nan 8.360 nan 0.000 0.452 444 A N 1.779 124.627 122.820 0.048 0.000 1.930 444 A HA -0.182 4.257 4.320 0.199 0.000 0.217 444 A C 2.135 179.742 177.584 0.039 0.000 1.175 444 A CA 1.392 53.462 52.037 0.056 0.000 0.627 444 A CB -0.431 18.614 19.000 0.076 0.000 0.815 444 A HN 0.092 nan 8.150 nan 0.000 0.443 445 R N 0.096 120.615 120.500 0.030 0.000 2.070 445 R HA -0.145 4.315 4.340 0.199 0.000 0.233 445 R C 2.035 178.346 176.300 0.019 0.000 1.137 445 R CA 1.848 57.962 56.100 0.023 0.000 0.945 445 R CB -0.298 30.012 30.300 0.018 0.000 0.845 445 R HN 0.455 nan 8.270 nan 0.000 0.430 446 K N 0.336 120.746 120.400 0.017 0.000 2.103 446 K HA -0.222 4.218 4.320 0.199 0.000 0.207 446 K C 2.103 178.709 176.600 0.011 0.000 1.048 446 K CA 1.780 58.074 56.287 0.012 0.000 0.930 446 K CB -0.163 32.343 32.500 0.010 0.000 0.716 446 K HN 0.410 nan 8.250 nan 0.000 0.444 447 E N 1.121 121.329 120.200 0.014 0.000 2.051 447 E HA -0.161 4.309 4.350 0.199 0.000 0.192 447 E C 2.029 178.638 176.600 0.014 0.000 0.991 447 E CA 0.812 57.220 56.400 0.012 0.000 0.799 447 E CB 0.053 29.762 29.700 0.016 0.000 0.748 447 E HN 0.215 nan 8.360 nan 0.000 0.449 448 L N 0.495 121.730 121.223 0.019 0.000 2.156 448 L HA -0.141 4.319 4.340 0.199 0.000 0.208 448 L C 2.697 179.575 176.870 0.014 0.000 1.095 448 L CA 0.834 55.685 54.840 0.019 0.000 0.770 448 L CB -0.283 41.791 42.059 0.025 0.000 0.914 448 L HN 0.198 nan 8.230 nan 0.000 0.439 449 Q N 0.863 120.670 119.800 0.012 0.000 2.234 449 Q HA -0.182 4.277 4.340 0.199 0.000 0.206 449 Q C 1.864 177.868 176.000 0.007 0.000 0.980 449 Q CA 1.796 57.605 55.803 0.009 0.000 0.869 449 Q CB -0.091 28.652 28.738 0.008 0.000 0.912 449 Q HN 0.448 nan 8.270 nan 0.000 0.436 450 A N -0.983 121.841 122.820 0.006 0.000 2.275 450 A HA 0.454 4.894 4.320 0.199 0.000 0.212 450 A C 1.812 179.398 177.584 0.003 0.000 1.201 450 A CA 0.642 52.681 52.037 0.004 0.000 0.843 450 A CB -0.256 18.745 19.000 0.002 0.000 0.873 450 A HN 0.423 nan 8.150 nan 0.000 0.492 451 A N -1.537 121.286 122.820 0.005 0.000 2.132 451 A HA 0.419 4.859 4.320 0.199 0.000 0.213 451 A C 1.845 179.431 177.584 0.004 0.000 1.154 451 A CA 1.161 53.201 52.037 0.005 0.000 0.753 451 A CB -0.587 18.417 19.000 0.008 0.000 0.826 451 A HN 1.698 nan 8.150 nan 0.000 0.469 452 G N -0.502 108.300 108.800 0.004 0.000 2.162 452 G HA2 -0.315 3.765 3.960 0.199 0.000 0.260 452 G HA3 -0.315 3.765 3.960 0.199 0.000 0.260 452 G C 1.111 176.013 174.900 0.004 0.000 0.976 452 G CA 0.888 45.990 45.100 0.003 0.000 0.655 452 G HN 0.341 nan 8.290 nan 0.000 0.533 453 K N 0.803 121.206 120.400 0.005 0.000 1.974 453 K HA 0.171 4.610 4.320 0.199 0.000 0.226 453 K C 1.498 178.102 176.600 0.006 0.000 1.039 453 K CA 1.962 58.252 56.287 0.006 0.000 1.022 453 K CB -0.848 31.657 32.500 0.009 0.000 0.746 453 K HN 1.799 nan 8.250 nan 0.000 0.445 454 S N -2.610 113.094 115.700 0.007 0.000 2.539 454 S HA -0.018 4.571 4.470 0.199 0.000 0.280 454 S C -2.827 171.778 174.600 0.009 0.000 0.679 454 S CA -0.342 57.862 58.200 0.007 0.000 1.358 454 S CB -0.589 62.614 63.200 0.005 0.000 1.669 454 S HN 0.035 nan 8.310 nan 0.000 0.458 455 P HA 0.006 nan 4.420 nan 0.000 0.229 455 P C 1.082 178.388 177.300 0.010 0.000 1.150 455 P CA 1.049 64.154 63.100 0.009 0.000 0.765 455 P CB 0.031 31.735 31.700 0.007 0.000 0.783 456 E N -0.140 120.066 120.200 0.009 0.000 2.079 456 E HA -0.070 4.400 4.350 0.199 0.000 0.191 456 E C 1.419 178.027 176.600 0.013 0.000 0.961 456 E CA 0.870 57.276 56.400 0.010 0.000 0.823 456 E CB -0.143 29.561 29.700 0.008 0.000 0.789 456 E HN 0.233 nan 8.360 nan 0.000 0.459 457 D N 0.844 121.251 120.400 0.012 0.000 2.213 457 D HA -0.079 4.680 4.640 0.199 0.000 0.205 457 D C 2.138 178.450 176.300 0.019 0.000 0.961 457 D CA 0.210 54.218 54.000 0.013 0.000 0.853 457 D CB 0.127 40.933 40.800 0.009 0.000 0.967 457 D HN 0.137 nan 8.370 nan 0.000 0.496 458 L N 0.294 121.528 121.223 0.019 0.000 2.141 458 L HA -0.158 4.302 4.340 0.199 0.000 0.209 458 L C 2.197 179.085 176.870 0.030 0.000 1.094 458 L CA 0.791 55.645 54.840 0.023 0.000 0.763 458 L CB 0.002 42.072 42.059 0.018 0.000 0.908 458 L HN -0.081 nan 8.230 nan 0.000 0.437 459 M N 0.707 120.323 119.600 0.026 0.000 2.067 459 M HA -0.206 4.393 4.480 0.199 0.000 0.260 459 M C 2.181 178.508 176.300 0.045 0.000 1.069 459 M CA 2.192 57.508 55.300 0.027 0.000 1.117 459 M CB -0.673 31.939 32.600 0.020 0.000 1.334 459 M HN 0.245 nan 8.290 nan 0.000 0.407 460 K N -0.726 119.705 120.400 0.051 0.000 2.209 460 K HA -0.115 4.325 4.320 0.199 0.000 0.204 460 K C 1.756 178.447 176.600 0.151 0.000 1.048 460 K CA 1.194 57.528 56.287 0.079 0.000 0.940 460 K CB -0.590 31.938 32.500 0.045 0.000 0.729 460 K HN 0.303 nan 8.250 nan 0.000 0.451 461 L N 0.466 121.760 121.223 0.118 0.000 2.425 461 L HA 0.205 4.665 4.340 0.199 0.000 0.215 461 L C 1.749 178.713 176.870 0.158 0.000 1.065 461 L CA 0.807 55.733 54.840 0.143 0.000 0.842 461 L CB -0.751 41.343 42.059 0.057 0.000 1.033 461 L HN 0.264 nan 8.230 nan 0.000 0.474 462 L N 2.532 123.808 121.223 0.089 0.000 1.976 462 L HA -0.142 4.318 4.340 0.199 0.000 0.223 462 L C -0.523 176.357 176.870 0.016 0.000 1.081 462 L CA 2.907 57.776 54.840 0.048 0.000 0.784 462 L CB -2.048 40.027 42.059 0.026 0.000 0.896 462 L HN 0.180 nan 8.230 nan 0.000 0.438 463 P HA -0.225 nan 4.420 nan 0.000 0.216 463 P C 1.286 178.467 177.300 -0.198 0.000 1.150 463 P CA 1.915 64.927 63.100 -0.146 0.000 0.843 463 P CB -0.570 30.995 31.700 -0.226 0.000 0.787 464 H N 0.209 119.241 119.070 -0.063 0.000 2.491 464 H HA 0.047 4.722 4.556 0.199 0.000 0.290 464 H C 1.383 176.632 175.328 -0.133 0.000 1.050 464 H CA 1.024 57.019 56.048 -0.090 0.000 1.309 464 H CB -0.008 29.724 29.762 -0.050 0.000 1.392 464 H HN 0.315 nan 8.280 nan 0.000 0.554 465 K N 0.937 121.354 120.400 0.028 0.000 2.397 465 K HA 0.194 4.634 4.320 0.199 0.000 0.202 465 K C -0.134 176.492 176.600 0.043 0.000 1.022 465 K CA -0.072 56.244 56.287 0.050 0.000 1.141 465 K CB 1.246 33.820 32.500 0.124 0.000 0.857 465 K HN -0.098 nan 8.250 nan 0.000 0.514 466 V N 1.731 121.579 119.914 -0.110 0.000 2.481 466 V HA 0.288 4.527 4.120 0.199 0.000 0.286 466 V C -0.525 175.430 176.094 -0.233 0.000 1.042 466 V CA -0.535 61.745 62.300 -0.035 0.000 0.928 466 V CB 0.713 32.516 31.823 -0.034 0.000 0.986 466 V HN 0.024 nan 8.190 nan 0.000 0.462 467 F N 2.538 122.502 119.950 0.023 0.000 2.427 467 F HA 0.428 5.075 4.527 0.199 0.000 0.348 467 F C 1.290 177.114 175.800 0.040 0.000 1.125 467 F CA -0.678 57.348 58.000 0.044 0.000 0.989 467 F CB 1.470 40.502 39.000 0.054 0.000 1.165 467 F HN 0.564 nan 8.300 nan 0.000 0.442 468 E N 2.208 122.486 120.200 0.130 0.000 2.338 468 E HA 0.079 4.548 4.350 0.199 0.000 0.197 468 E C 1.657 178.326 176.600 0.114 0.000 1.007 468 E CA 0.503 56.960 56.400 0.096 0.000 0.849 468 E CB 0.013 29.745 29.700 0.052 0.000 0.774 468 E HN 0.949 nan 8.360 nan 0.000 0.506 469 G N 2.104 110.999 108.800 0.160 0.000 2.574 469 G HA2 -0.452 3.628 3.960 0.199 0.000 0.282 469 G HA3 -0.452 3.628 3.960 0.199 0.000 0.282 469 G C 0.270 175.213 174.900 0.071 0.000 1.257 469 G CA 0.195 45.367 45.100 0.118 0.000 0.956 469 G HN 0.358 nan 8.290 nan 0.000 0.560 470 N N -1.880 116.852 118.700 0.054 0.000 2.741 470 N HA -0.176 4.683 4.740 0.199 0.000 0.250 470 N C 0.195 175.711 175.510 0.011 0.000 1.115 470 N CA 1.789 54.870 53.050 0.051 0.000 0.724 470 N CB -0.504 38.026 38.487 0.072 0.000 1.090 470 N HN 0.810 nan 8.380 nan 0.000 0.558 471 R N 0.909 121.398 120.500 -0.019 0.000 2.204 471 R HA 0.365 4.825 4.340 0.199 0.000 0.341 471 R C -2.112 174.135 176.300 -0.088 0.000 1.035 471 R CA -1.650 54.408 56.100 -0.071 0.000 0.887 471 R CB 0.848 31.091 30.300 -0.094 0.000 1.114 471 R HN 0.206 nan 8.270 nan 0.000 0.473 472 P HA 0.093 nan 4.420 nan 0.000 0.275 472 P C -0.827 176.432 177.300 -0.068 0.000 1.227 472 P CA -0.171 62.891 63.100 -0.062 0.000 0.781 472 P CB 1.452 33.108 31.700 -0.073 0.000 0.906 473 T N -0.469 114.086 114.554 0.003 0.000 2.868 473 T HA 0.458 4.927 4.350 0.199 0.000 0.306 473 T C -0.670 174.102 174.700 0.120 0.000 1.224 473 T CA -0.913 61.207 62.100 0.033 0.000 1.012 473 T CB 1.357 70.146 68.868 -0.131 0.000 1.221 473 T HN 0.241 nan 8.240 nan 0.000 0.499 474 N N 0.603 119.419 118.700 0.194 0.000 2.314 474 N HA 0.618 5.477 4.740 0.199 0.000 0.304 474 N C -1.236 174.419 175.510 0.243 0.000 1.073 474 N CA -0.590 52.611 53.050 0.253 0.000 0.822 474 N CB 2.219 40.889 38.487 0.305 0.000 1.280 474 N HN 0.637 nan 8.380 nan 0.000 0.489 475 S N 1.508 117.352 115.700 0.241 0.000 2.498 475 S HA 0.559 5.148 4.470 0.199 0.000 0.317 475 S C -0.069 174.762 174.600 0.386 0.000 1.090 475 S CA -0.555 57.822 58.200 0.295 0.000 1.089 475 S CB 0.556 63.866 63.200 0.183 0.000 0.997 475 S HN 0.334 nan 8.310 nan 0.000 0.470 476 I N 3.840 124.685 120.570 0.459 0.000 2.382 476 I HA 0.416 4.706 4.170 0.199 0.000 0.285 476 I C -0.836 175.475 176.117 0.322 0.000 1.007 476 I CA -0.675 60.863 61.300 0.397 0.000 1.142 476 I CB 1.426 39.674 38.000 0.412 0.000 1.289 476 I HN 0.230 nan 8.210 nan 0.000 0.453 477 V N 7.075 127.106 119.914 0.195 0.000 2.495 477 V HA 0.558 4.798 4.120 0.199 0.000 0.298 477 V C -0.485 175.619 176.094 0.017 0.000 1.031 477 V CA -0.665 61.563 62.300 -0.120 0.000 0.871 477 V CB 1.501 33.267 31.823 -0.094 0.000 0.988 477 V HN 0.524 nan 8.190 nan 0.000 0.432 478 F N 0.066 120.035 119.950 0.032 0.000 2.588 478 F HA 0.612 5.254 4.527 0.192 0.000 0.314 478 F C 1.219 177.043 175.800 0.040 0.000 1.069 478 F CA -0.866 57.161 58.000 0.046 0.000 0.931 478 F CB 1.029 40.054 39.000 0.041 0.000 1.260 478 F HN 0.315 nan 8.300 nan 0.000 0.465 479 T N -0.616 114.066 114.554 0.215 0.000 2.624 479 T HA -0.173 4.296 4.350 0.199 0.000 0.268 479 T C 0.303 175.080 174.700 0.127 0.000 1.041 479 T CA 1.887 64.064 62.100 0.127 0.000 1.159 479 T CB -0.210 68.738 68.868 0.133 0.000 0.863 479 T HN 0.632 nan 8.240 nan 0.000 0.434 480 K N -0.351 120.189 120.400 0.233 0.000 2.578 480 K HA 0.393 4.832 4.320 0.199 0.000 0.269 480 K C -2.134 174.657 176.600 0.318 0.000 0.941 480 K CA -0.791 55.626 56.287 0.217 0.000 0.847 480 K CB 1.414 33.991 32.500 0.129 0.000 1.397 480 K HN -0.058 nan 8.250 nan 0.000 0.422 481 L N 4.103 125.514 121.223 0.315 0.000 2.375 481 L HA 0.262 4.721 4.340 0.199 0.000 0.276 481 L C -0.372 176.597 176.870 0.164 0.000 1.162 481 L CA 0.481 55.469 54.840 0.247 0.000 0.991 481 L CB -0.147 42.085 42.059 0.287 0.000 1.315 481 L HN 0.694 nan 8.230 nan 0.000 0.431 482 T N 1.108 115.714 114.554 0.086 0.000 2.923 482 T HA 0.540 5.009 4.350 0.199 0.000 0.281 482 T C -1.882 172.715 174.700 -0.171 0.000 0.995 482 T CA -1.868 60.208 62.100 -0.040 0.000 0.985 482 T CB 1.290 70.158 68.868 0.001 0.000 1.114 482 T HN 0.178 nan 8.240 nan 0.000 0.548 483 P HA -0.024 nan 4.420 nan 0.000 0.215 483 P C 1.190 178.425 177.300 -0.109 0.000 1.153 483 P CA 0.771 63.709 63.100 -0.269 0.000 0.853 483 P CB -0.114 31.373 31.700 -0.354 0.000 0.788 484 F N 0.019 119.844 119.950 -0.208 0.000 2.075 484 F HA -0.185 4.450 4.527 0.181 0.000 0.297 484 F C 1.967 177.700 175.800 -0.112 0.000 1.113 484 F CA 1.433 59.340 58.000 -0.155 0.000 1.218 484 F CB -0.498 38.379 39.000 -0.205 0.000 0.984 484 F HN -0.253 nan 8.300 nan 0.000 0.472 485 I N 0.206 120.859 120.570 0.138 0.000 2.286 485 I HA -0.229 4.060 4.170 0.199 0.000 0.248 485 I C 2.396 178.412 176.117 -0.168 0.000 1.115 485 I CA 1.050 62.342 61.300 -0.014 0.000 1.392 485 I CB -1.504 36.493 38.000 -0.005 0.000 1.065 485 I HN 0.297 nan 8.210 nan 0.000 0.418 486 L N 1.598 122.740 121.223 -0.135 0.000 2.046 486 L HA -0.056 4.403 4.340 0.199 0.000 0.208 486 L C 2.423 179.294 176.870 0.001 0.000 1.077 486 L CA 2.255 57.031 54.840 -0.106 0.000 0.747 486 L CB -1.310 40.700 42.059 -0.082 0.000 0.896 486 L HN 0.197 nan 8.230 nan 0.000 0.432 487 G N -1.009 107.784 108.800 -0.011 0.000 2.440 487 G HA2 -0.276 3.803 3.960 0.199 0.000 0.218 487 G HA3 -0.276 3.803 3.960 0.199 0.000 0.218 487 G C 1.588 176.526 174.900 0.064 0.000 1.154 487 G CA 0.895 46.080 45.100 0.141 0.000 0.767 487 G HN 0.663 nan 8.290 nan 0.000 0.552 488 A N 0.439 123.185 122.820 -0.124 0.000 1.898 488 A HA 0.148 4.588 4.320 0.199 0.000 0.216 488 A C 2.442 180.038 177.584 0.021 0.000 1.181 488 A CA 1.175 53.170 52.037 -0.071 0.000 0.620 488 A CB -0.359 18.557 19.000 -0.140 0.000 0.819 488 A HN 0.354 nan 8.150 nan 0.000 0.442 489 L N -0.512 120.708 121.223 -0.006 0.000 2.046 489 L HA -0.187 4.273 4.340 0.199 0.000 0.208 489 L C 2.488 179.523 176.870 0.275 0.000 1.077 489 L CA 1.328 56.190 54.840 0.038 0.000 0.747 489 L CB -0.548 41.478 42.059 -0.055 0.000 0.896 489 L HN 0.386 nan 8.230 nan 0.000 0.432 490 I N -0.097 120.742 120.570 0.448 0.000 2.179 490 I HA -0.273 4.016 4.170 0.199 0.000 0.242 490 I C 2.811 179.263 176.117 0.557 0.000 1.088 490 I CA 1.215 62.951 61.300 0.726 0.000 1.357 490 I CB -0.552 37.828 38.000 0.633 0.000 1.051 490 I HN 0.187 nan 8.210 nan 0.000 0.409 491 A N 0.524 123.527 122.820 0.304 0.000 1.972 491 A HA -0.256 4.183 4.320 0.199 0.000 0.219 491 A C 2.417 179.989 177.584 -0.020 0.000 1.169 491 A CA 1.770 53.825 52.037 0.031 0.000 0.635 491 A CB -0.667 18.281 19.000 -0.087 0.000 0.810 491 A HN 0.485 nan 8.150 nan 0.000 0.446 492 M N -1.778 117.857 119.600 0.058 0.000 2.086 492 M HA -0.186 4.413 4.480 0.199 0.000 0.261 492 M C 1.953 178.219 176.300 -0.057 0.000 1.067 492 M CA 1.888 57.179 55.300 -0.016 0.000 1.116 492 M CB -0.247 32.273 32.600 -0.132 0.000 1.348 492 M HN 0.550 nan 8.290 nan 0.000 0.407 493 Y N 0.340 120.637 120.300 -0.005 0.000 2.314 493 Y HA -0.136 4.540 4.550 0.209 0.000 0.293 493 Y C 2.251 178.186 175.900 0.058 0.000 1.129 493 Y CA 1.014 59.029 58.100 -0.142 0.000 1.201 493 Y CB -0.049 37.934 38.460 -0.796 0.000 0.999 493 Y HN 0.351 nan 8.280 nan 0.000 0.541 494 E N -0.539 119.865 120.200 0.339 0.000 2.085 494 E HA -0.225 4.244 4.350 0.199 0.000 0.194 494 E C 1.657 178.396 176.600 0.231 0.000 0.994 494 E CA 1.261 57.880 56.400 0.365 0.000 0.801 494 E CB -0.165 29.708 29.700 0.288 0.000 0.743 494 E HN 0.589 nan 8.360 nan 0.000 0.453 495 H N 0.434 119.583 119.070 0.131 0.000 2.470 495 H HA 0.007 4.681 4.556 0.196 0.000 0.289 495 H C 1.965 177.254 175.328 -0.064 0.000 1.033 495 H CA 0.841 56.806 56.048 -0.139 0.000 1.331 495 H CB 0.006 29.298 29.762 -0.783 0.000 1.414 495 H HN 0.108 nan 8.280 nan 0.000 0.545 496 K N 1.222 121.692 120.400 0.117 0.000 2.026 496 K HA -0.094 4.346 4.320 0.199 0.000 0.208 496 K C 2.068 178.747 176.600 0.131 0.000 1.048 496 K CA 1.071 57.423 56.287 0.110 0.000 0.929 496 K CB -0.117 32.485 32.500 0.169 0.000 0.713 496 K HN 0.134 nan 8.250 nan 0.000 0.439 497 I N 0.787 121.477 120.570 0.199 0.000 2.208 497 I HA -0.274 4.016 4.170 0.199 0.000 0.245 497 I C 2.340 178.567 176.117 0.183 0.000 1.097 497 I CA 1.165 62.583 61.300 0.195 0.000 1.363 497 I CB -0.341 37.815 38.000 0.261 0.000 1.051 497 I HN 0.190 nan 8.210 nan 0.000 0.413 498 F N 1.410 121.453 119.950 0.156 0.000 2.075 498 F HA -0.206 4.439 4.527 0.197 0.000 0.297 498 F C 2.364 178.245 175.800 0.135 0.000 1.113 498 F CA 1.684 59.806 58.000 0.203 0.000 1.218 498 F CB -0.573 38.656 39.000 0.381 0.000 0.984 498 F HN -0.231 nan 8.300 nan 0.000 0.472 499 V N 0.790 120.705 119.914 0.002 0.000 2.332 499 V HA -0.351 3.889 4.120 0.199 0.000 0.248 499 V C 2.365 178.284 176.094 -0.291 0.000 1.055 499 V CA 2.379 64.599 62.300 -0.135 0.000 1.038 499 V CB -0.944 30.903 31.823 0.040 0.000 0.651 499 V HN 0.443 nan 8.190 nan 0.000 0.450 500 Q N -0.008 119.606 119.800 -0.309 0.000 2.124 500 Q HA -0.126 4.333 4.340 0.199 0.000 0.202 500 Q C 2.422 178.033 176.000 -0.648 0.000 0.977 500 Q CA 1.598 56.998 55.803 -0.671 0.000 0.850 500 Q CB -0.552 27.755 28.738 -0.719 0.000 0.901 500 Q HN 0.723 nan 8.270 nan 0.000 0.429 501 G N 0.397 109.049 108.800 -0.246 0.000 2.422 501 G HA2 -0.210 3.870 3.960 0.199 0.000 0.218 501 G HA3 -0.210 3.870 3.960 0.199 0.000 0.218 501 G C 1.517 176.358 174.900 -0.097 0.000 1.146 501 G CA 0.802 45.889 45.100 -0.021 0.000 0.769 501 G HN 0.195 nan 8.290 nan 0.000 0.547 502 V N 0.506 120.246 119.914 -0.291 0.000 2.307 502 V HA -0.164 4.076 4.120 0.199 0.000 0.245 502 V C 3.025 179.017 176.094 -0.168 0.000 1.045 502 V CA 1.458 63.610 62.300 -0.246 0.000 1.024 502 V CB -0.406 31.196 31.823 -0.367 0.000 0.651 502 V HN 0.247 nan 8.190 nan 0.000 0.449 503 V N -1.269 118.484 119.914 -0.269 0.000 2.332 503 V HA -0.255 3.985 4.120 0.199 0.000 0.248 503 V C 2.148 178.139 176.094 -0.172 0.000 1.055 503 V CA 1.873 64.008 62.300 -0.275 0.000 1.038 503 V CB -0.650 30.909 31.823 -0.440 0.000 0.651 503 V HN 0.659 nan 8.190 nan 0.000 0.450 504 W N -0.640 120.619 121.300 -0.068 0.000 3.047 504 W HA 0.181 4.962 4.660 0.203 0.000 0.250 504 W C 1.313 177.858 176.519 0.044 0.000 1.314 504 W CA 0.565 57.911 57.345 0.002 0.000 1.540 504 W CB -0.870 28.668 29.460 0.130 0.000 1.127 504 W HN 0.516 nan 8.180 nan 0.000 0.679 505 D N 0.540 121.043 120.400 0.171 0.000 2.772 505 D HA -0.210 4.550 4.640 0.199 0.000 0.233 505 D C -0.011 176.367 176.300 0.129 0.000 1.143 505 D CA 0.880 54.946 54.000 0.111 0.000 0.700 505 D CB -1.353 39.499 40.800 0.087 0.000 1.076 505 D HN 0.293 nan 8.370 nan 0.000 0.430 506 I N -4.116 116.550 120.570 0.159 0.000 3.100 506 I HA 0.556 4.846 4.170 0.199 0.000 0.312 506 I C 0.390 176.577 176.117 0.117 0.000 1.063 506 I CA -1.170 60.209 61.300 0.132 0.000 1.031 506 I CB 1.327 39.418 38.000 0.152 0.000 1.243 506 I HN -0.114 nan 8.210 nan 0.000 0.483 507 N N 1.597 120.368 118.700 0.117 0.000 2.500 507 N HA 0.240 5.100 4.740 0.199 0.000 0.236 507 N C -0.186 175.359 175.510 0.057 0.000 1.022 507 N CA -0.201 52.934 53.050 0.142 0.000 0.935 507 N CB 0.820 39.421 38.487 0.190 0.000 1.147 507 N HN 0.614 nan 8.380 nan 0.000 0.512 508 S N 2.623 118.259 115.700 -0.105 0.000 2.701 508 S HA 0.155 4.744 4.470 0.199 0.000 0.220 508 S C 0.290 174.504 174.600 -0.643 0.000 0.954 508 S CA 0.055 58.024 58.200 -0.386 0.000 0.936 508 S CB -0.320 62.518 63.200 -0.604 0.000 0.777 508 S HN 0.604 nan 8.310 nan 0.000 0.518 509 F N 0.898 120.964 119.950 0.194 0.000 2.798 509 F HA 0.251 4.896 4.527 0.197 0.000 0.328 509 F C 0.484 176.339 175.800 0.090 0.000 1.098 509 F CA -0.896 57.215 58.000 0.185 0.000 1.172 509 F CB 0.520 39.624 39.000 0.174 0.000 1.072 509 F HN 0.100 nan 8.300 nan 0.000 0.555 510 D N -0.014 120.462 120.400 0.127 0.000 2.494 510 D HA 0.364 5.123 4.640 0.199 0.000 0.259 510 D C -0.280 175.902 176.300 -0.196 0.000 1.109 510 D CA -0.578 53.355 54.000 -0.113 0.000 1.040 510 D CB 0.835 41.545 40.800 -0.150 0.000 1.175 510 D HN 0.036 nan 8.370 nan 0.000 0.584 511 Q N -0.281 119.246 119.800 -0.454 0.000 3.976 511 Q HA 0.102 4.561 4.340 0.199 0.000 0.198 511 Q C -0.824 175.010 176.000 -0.277 0.000 0.817 511 Q CA -0.570 55.081 55.803 -0.254 0.000 0.819 511 Q CB -1.295 27.361 28.738 -0.136 0.000 1.556 511 Q HN 0.774 nan 8.270 nan 0.000 0.416 512 W N 1.207 122.547 121.300 0.067 0.000 2.421 512 W HA 0.027 4.807 4.660 0.200 0.000 0.270 512 W C 1.928 178.478 176.519 0.053 0.000 1.233 512 W CA 1.230 58.611 57.345 0.060 0.000 1.226 512 W CB 0.175 29.671 29.460 0.060 0.000 1.121 512 W HN 0.645 nan 8.180 nan 0.000 0.579 513 G N -0.358 108.564 108.800 0.203 0.000 2.430 513 G HA2 -0.148 3.932 3.960 0.199 0.000 0.216 513 G HA3 -0.148 3.932 3.960 0.199 0.000 0.216 513 G C 1.404 176.353 174.900 0.082 0.000 1.146 513 G CA 0.993 46.175 45.100 0.136 0.000 0.793 513 G HN 0.142 nan 8.290 nan 0.000 0.537 514 V N 0.743 120.683 119.914 0.042 0.000 2.488 514 V HA -0.064 4.175 4.120 0.199 0.000 0.246 514 V C 2.731 178.843 176.094 0.029 0.000 1.046 514 V CA 1.609 63.916 62.300 0.012 0.000 1.053 514 V CB -0.081 31.724 31.823 -0.029 0.000 0.679 514 V HN 0.276 nan 8.190 nan 0.000 0.458 515 E N 0.068 120.295 120.200 0.046 0.000 2.077 515 E HA -0.211 4.258 4.350 0.199 0.000 0.193 515 E C 2.123 178.803 176.600 0.132 0.000 0.989 515 E CA 1.068 57.523 56.400 0.092 0.000 0.800 515 E CB -0.493 29.303 29.700 0.160 0.000 0.746 515 E HN 0.482 nan 8.360 nan 0.000 0.452 516 L N 1.094 122.412 121.223 0.158 0.000 2.012 516 L HA -0.079 4.381 4.340 0.199 0.000 0.210 516 L C 2.225 179.143 176.870 0.081 0.000 1.073 516 L CA 2.384 57.301 54.840 0.127 0.000 0.748 516 L CB -0.932 41.203 42.059 0.126 0.000 0.891 516 L HN 0.146 nan 8.230 nan 0.000 0.431 517 G N -0.744 108.094 108.800 0.063 0.000 2.442 517 G HA2 -0.291 3.788 3.960 0.199 0.000 0.219 517 G HA3 -0.291 3.788 3.960 0.199 0.000 0.219 517 G C 1.573 176.494 174.900 0.035 0.000 1.141 517 G CA 0.846 45.969 45.100 0.040 0.000 0.763 517 G HN 0.463 nan 8.290 nan 0.000 0.554 518 K N -0.211 120.212 120.400 0.039 0.000 2.555 518 K HA 0.060 4.500 4.320 0.199 0.000 0.193 518 K C 1.950 178.573 176.600 0.039 0.000 1.032 518 K CA 0.388 56.694 56.287 0.032 0.000 1.004 518 K CB 0.159 32.678 32.500 0.031 0.000 0.804 518 K HN 0.280 nan 8.250 nan 0.000 0.496 519 Q N -0.135 119.694 119.800 0.048 0.000 2.211 519 Q HA 0.165 4.624 4.340 0.199 0.000 0.242 519 Q C 1.699 177.726 176.000 0.045 0.000 0.825 519 Q CA 0.001 55.833 55.803 0.049 0.000 0.951 519 Q CB 0.736 29.510 28.738 0.060 0.000 1.130 519 Q HN 0.292 nan 8.270 nan 0.000 0.496 520 L N 0.070 121.318 121.223 0.042 0.000 2.056 520 L HA -0.101 4.358 4.340 0.199 0.000 0.207 520 L C 2.434 179.325 176.870 0.035 0.000 1.078 520 L CA 1.421 56.285 54.840 0.040 0.000 0.749 520 L CB -0.582 41.496 42.059 0.033 0.000 0.901 520 L HN 0.109 nan 8.230 nan 0.000 0.433 521 A N 0.304 123.140 122.820 0.026 0.000 1.933 521 A HA -0.216 4.223 4.320 0.199 0.000 0.218 521 A C 2.275 179.876 177.584 0.028 0.000 1.175 521 A CA 1.581 53.630 52.037 0.020 0.000 0.628 521 A CB -0.370 18.638 19.000 0.013 0.000 0.814 521 A HN 0.333 nan 8.150 nan 0.000 0.444 522 K N -0.243 120.176 120.400 0.032 0.000 2.107 522 K HA -0.258 4.182 4.320 0.199 0.000 0.211 522 K C 2.136 178.763 176.600 0.045 0.000 1.049 522 K CA 2.010 58.318 56.287 0.035 0.000 0.927 522 K CB -0.210 32.311 32.500 0.034 0.000 0.714 522 K HN 0.471 nan 8.250 nan 0.000 0.452 523 K N 0.709 121.144 120.400 0.060 0.000 2.057 523 K HA -0.063 4.377 4.320 0.199 0.000 0.207 523 K C 2.089 178.753 176.600 0.108 0.000 1.049 523 K CA 1.103 57.441 56.287 0.085 0.000 0.931 523 K CB 0.050 32.620 32.500 0.117 0.000 0.714 523 K HN 0.114 nan 8.250 nan 0.000 0.440 524 I N 0.479 121.101 120.570 0.087 0.000 2.500 524 I HA -0.190 4.100 4.170 0.199 0.000 0.252 524 I C 2.294 178.433 176.117 0.037 0.000 1.142 524 I CA 0.873 62.206 61.300 0.055 0.000 1.451 524 I CB -0.327 37.651 38.000 -0.036 0.000 1.093 524 I HN 0.357 nan 8.210 nan 0.000 0.430 525 E N 1.736 121.954 120.200 0.030 0.000 2.065 525 E HA -0.240 4.229 4.350 0.199 0.000 0.201 525 E C -0.594 176.021 176.600 0.026 0.000 1.016 525 E CA 2.018 58.432 56.400 0.023 0.000 0.818 525 E CB -0.686 29.027 29.700 0.021 0.000 0.749 525 E HN 0.330 nan 8.360 nan 0.000 0.453 526 P HA -0.134 nan 4.420 nan 0.000 0.221 526 P C 0.468 177.787 177.300 0.033 0.000 1.150 526 P CA 1.283 64.400 63.100 0.029 0.000 0.800 526 P CB -0.054 31.664 31.700 0.029 0.000 0.787 527 E N -0.064 120.164 120.200 0.047 0.000 2.274 527 E HA -0.026 4.443 4.350 0.199 0.000 0.194 527 E C 2.108 178.730 176.600 0.036 0.000 0.996 527 E CA 0.432 56.864 56.400 0.053 0.000 0.840 527 E CB -0.431 29.326 29.700 0.094 0.000 0.772 527 E HN 0.311 nan 8.360 nan 0.000 0.491 528 L N 1.174 122.413 121.223 0.026 0.000 2.201 528 L HA -0.068 4.392 4.340 0.199 0.000 0.212 528 L C 0.496 177.372 176.870 0.011 0.000 1.105 528 L CA 0.358 55.207 54.840 0.015 0.000 0.775 528 L CB -0.257 41.807 42.059 0.009 0.000 0.913 528 L HN 0.007 nan 8.230 nan 0.000 0.440 529 D N 0.824 121.232 120.400 0.013 0.000 2.424 529 D HA 0.398 5.157 4.640 0.199 0.000 0.244 529 D C 0.639 176.944 176.300 0.008 0.000 1.134 529 D CA 1.182 55.188 54.000 0.009 0.000 0.881 529 D CB 0.963 41.769 40.800 0.010 0.000 1.191 529 D HN 0.258 nan 8.370 nan 0.000 0.445 530 G N 0.975 109.778 108.800 0.004 0.000 2.707 530 G HA2 -0.124 3.955 3.960 0.199 0.000 0.686 530 G HA3 -0.124 3.955 3.960 0.199 0.000 0.686 530 G C 0.537 175.437 174.900 0.000 0.000 1.315 530 G CA 0.007 45.109 45.100 0.003 0.000 0.832 530 G HN 0.568 nan 8.290 nan 0.000 0.573 531 S N -1.455 114.244 115.700 -0.001 0.000 2.540 531 S HA 0.448 5.037 4.470 0.199 0.000 0.218 531 S C 1.299 175.900 174.600 0.002 0.000 0.977 531 S CA 1.009 59.207 58.200 -0.004 0.000 0.918 531 S CB 0.048 63.244 63.200 -0.008 0.000 0.806 531 S HN 2.268 nan 8.310 nan 0.000 0.496 532 S N 3.538 119.242 115.700 0.007 0.000 2.549 532 S HA 0.377 4.966 4.470 0.199 0.000 0.283 532 S C -2.270 172.341 174.600 0.017 0.000 1.320 532 S CA -1.126 57.081 58.200 0.011 0.000 1.058 532 S CB -0.007 63.200 63.200 0.012 0.000 0.882 532 S HN 0.307 nan 8.310 nan 0.000 0.498 533 P HA 0.194 nan 4.420 nan 0.000 0.271 533 P C -0.739 176.583 177.300 0.037 0.000 1.218 533 P CA -0.459 62.658 63.100 0.029 0.000 0.780 533 P CB 0.609 32.326 31.700 0.027 0.000 0.901 534 V N 2.581 122.526 119.914 0.051 0.000 2.472 534 V HA 0.359 4.598 4.120 0.199 0.000 0.290 534 V C 1.315 177.453 176.094 0.074 0.000 1.037 534 V CA 0.174 62.517 62.300 0.071 0.000 0.908 534 V CB 1.288 33.175 31.823 0.108 0.000 0.985 534 V HN 0.838 nan 8.190 nan 0.000 0.454 535 T N -2.251 112.340 114.554 0.061 0.000 3.192 535 T HA 0.010 4.479 4.350 0.199 0.000 0.295 535 T C 1.264 175.978 174.700 0.022 0.000 0.947 535 T CA 0.444 62.571 62.100 0.046 0.000 0.916 535 T CB 0.120 69.004 68.868 0.025 0.000 1.169 535 T HN 0.641 nan 8.240 nan 0.000 0.540 536 S N 0.451 116.149 115.700 -0.004 0.000 2.561 536 S HA 0.121 4.710 4.470 0.199 0.000 0.225 536 S C 0.703 175.151 174.600 -0.254 0.000 0.977 536 S CA -0.237 57.882 58.200 -0.136 0.000 0.926 536 S CB -0.558 62.514 63.200 -0.213 0.000 0.769 536 S HN 0.680 nan 8.310 nan 0.000 0.533 537 H N 1.575 120.650 119.070 0.008 0.000 2.915 537 H HA 0.378 5.053 4.556 0.199 0.000 0.298 537 H C -0.515 174.816 175.328 0.005 0.000 1.516 537 H CA -0.377 55.675 56.048 0.007 0.000 1.480 537 H CB 0.258 30.025 29.762 0.009 0.000 1.847 537 H HN 0.418 nan 8.280 nan 0.000 0.806 538 D N -0.897 119.598 120.400 0.158 0.000 2.361 538 D HA -0.046 4.714 4.640 0.199 0.000 0.239 538 D C 1.212 177.554 176.300 0.069 0.000 1.200 538 D CA 0.133 54.179 54.000 0.077 0.000 0.915 538 D CB 0.693 41.526 40.800 0.055 0.000 1.170 538 D HN 0.439 nan 8.370 nan 0.000 0.444 539 S N 0.184 115.908 115.700 0.040 0.000 2.399 539 S HA -0.277 4.312 4.470 0.199 0.000 0.231 539 S C 1.937 176.551 174.600 0.022 0.000 1.022 539 S CA 1.042 59.261 58.200 0.031 0.000 0.983 539 S CB -0.726 62.485 63.200 0.018 0.000 0.803 539 S HN 0.535 nan 8.310 nan 0.000 0.480 540 S N 1.486 117.194 115.700 0.013 0.000 2.345 540 S HA -0.110 4.479 4.470 0.199 0.000 0.220 540 S C 1.985 176.581 174.600 -0.005 0.000 1.031 540 S CA 1.804 60.002 58.200 -0.003 0.000 0.996 540 S CB -1.282 61.911 63.200 -0.012 0.000 0.882 540 S HN 0.670 nan 8.310 nan 0.000 0.445 541 T N 2.408 116.959 114.554 -0.005 0.000 2.720 541 T HA -0.080 4.390 4.350 0.199 0.000 0.268 541 T C 1.642 176.327 174.700 -0.024 0.000 1.037 541 T CA 1.781 63.852 62.100 -0.049 0.000 1.144 541 T CB -0.734 68.070 68.868 -0.106 0.000 0.864 541 T HN 0.587 nan 8.240 nan 0.000 0.444 542 N N 0.509 119.232 118.700 0.039 0.000 2.084 542 N HA -0.077 4.782 4.740 0.199 0.000 0.190 542 N C 2.282 177.821 175.510 0.048 0.000 1.030 542 N CA 0.930 54.017 53.050 0.063 0.000 0.849 542 N CB -0.323 38.209 38.487 0.075 0.000 1.012 542 N HN 0.407 nan 8.380 nan 0.000 0.423 543 G N 1.329 110.152 108.800 0.038 0.000 2.442 543 G HA2 -0.194 3.885 3.960 0.199 0.000 0.219 543 G HA3 -0.194 3.885 3.960 0.199 0.000 0.219 543 G C 1.503 176.444 174.900 0.069 0.000 1.141 543 G CA 0.524 45.651 45.100 0.044 0.000 0.763 543 G HN 0.130 nan 8.290 nan 0.000 0.554 544 L N -0.055 121.194 121.223 0.043 0.000 2.056 544 L HA 0.044 4.503 4.340 0.199 0.000 0.207 544 L C 2.832 179.767 176.870 0.110 0.000 1.078 544 L CA 0.557 55.440 54.840 0.071 0.000 0.749 544 L CB -0.345 41.724 42.059 0.017 0.000 0.901 544 L HN 0.169 nan 8.230 nan 0.000 0.433 545 I N 0.200 120.802 120.570 0.053 0.000 2.163 545 I HA -0.306 3.984 4.170 0.199 0.000 0.243 545 I C 2.166 178.321 176.117 0.063 0.000 1.085 545 I CA 1.230 62.556 61.300 0.042 0.000 1.347 545 I CB -0.403 37.608 38.000 0.018 0.000 1.044 545 I HN 0.368 nan 8.210 nan 0.000 0.408 546 N N 0.538 119.285 118.700 0.079 0.000 2.244 546 N HA -0.198 4.662 4.740 0.199 0.000 0.183 546 N C 1.731 177.300 175.510 0.098 0.000 1.016 546 N CA 1.225 54.320 53.050 0.074 0.000 0.866 546 N CB -0.477 38.054 38.487 0.073 0.000 0.980 546 N HN 0.311 nan 8.380 nan 0.000 0.430 547 F N 1.636 121.584 119.950 -0.003 0.000 2.163 547 F HA 0.071 4.718 4.527 0.199 0.000 0.297 547 F C 2.052 177.850 175.800 -0.004 0.000 1.094 547 F CA 0.720 58.717 58.000 -0.004 0.000 1.290 547 F CB -0.212 38.784 39.000 -0.006 0.000 1.017 547 F HN -0.121 nan 8.300 nan 0.000 0.483 548 I N 0.477 121.062 120.570 0.025 0.000 2.179 548 I HA -0.325 3.964 4.170 0.199 0.000 0.242 548 I C 2.348 178.393 176.117 -0.119 0.000 1.088 548 I CA 1.524 62.783 61.300 -0.069 0.000 1.357 548 I CB -0.496 37.520 38.000 0.027 0.000 1.051 548 I HN 0.076 nan 8.210 nan 0.000 0.409 549 K N 0.234 120.596 120.400 -0.064 0.000 2.097 549 K HA -0.265 4.174 4.320 0.199 0.000 0.206 549 K C 2.134 178.677 176.600 -0.096 0.000 1.049 549 K CA 1.466 57.718 56.287 -0.059 0.000 0.933 549 K CB -0.256 32.231 32.500 -0.022 0.000 0.717 549 K HN 0.417 nan 8.250 nan 0.000 0.442 550 Q N 0.728 120.449 119.800 -0.132 0.000 2.046 550 Q HA -0.183 4.276 4.340 0.199 0.000 0.200 550 Q C 1.865 177.735 176.000 -0.216 0.000 0.975 550 Q CA 1.288 57.000 55.803 -0.152 0.000 0.836 550 Q CB 0.222 28.874 28.738 -0.143 0.000 0.896 550 Q HN 0.224 nan 8.270 nan 0.000 0.428 551 Q N 0.165 119.743 119.800 -0.369 0.000 2.432 551 Q HA -0.064 4.396 4.340 0.199 0.000 0.205 551 Q C 1.849 177.729 176.000 -0.199 0.000 0.945 551 Q CA 0.600 56.193 55.803 -0.351 0.000 0.924 551 Q CB -0.127 28.242 28.738 -0.615 0.000 1.016 551 Q HN 0.415 nan 8.270 nan 0.000 0.503 552 R N 1.374 121.780 120.500 -0.157 0.000 2.133 552 R HA -0.180 4.280 4.340 0.199 0.000 0.247 552 R C 0.933 177.193 176.300 -0.066 0.000 1.151 552 R CA 1.678 57.722 56.100 -0.092 0.000 0.971 552 R CB 0.162 30.421 30.300 -0.069 0.000 0.866 552 R HN 0.216 nan 8.270 nan 0.000 0.447 553 E N -0.593 119.567 120.200 -0.066 0.000 2.526 553 E HA 0.186 4.656 4.350 0.199 0.000 0.208 553 E C -0.406 176.167 176.600 -0.045 0.000 0.997 553 E CA -0.032 56.340 56.400 -0.046 0.000 0.961 553 E CB 0.955 30.633 29.700 -0.036 0.000 1.030 553 E HN 0.383 nan 8.360 nan 0.000 0.483 554 A N 2.022 124.805 122.820 -0.062 0.000 2.567 554 A HA 0.302 4.742 4.320 0.199 0.000 0.240 554 A C 0.566 178.129 177.584 -0.035 0.000 1.053 554 A CA 0.611 52.616 52.037 -0.053 0.000 0.755 554 A CB -0.021 18.935 19.000 -0.074 0.000 0.978 554 A HN 0.203 nan 8.150 nan 0.000 0.507 555 K N 0.000 120.386 120.400 -0.024 0.000 2.780 555 K HA 0.000 4.439 4.320 0.199 0.000 0.191 555 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 555 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 555 K HN 0.000 nan 8.250 nan 0.000 0.543