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 2qfu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGTAMR DATA SEQUENCE LLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPDAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.022 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 E N 1.831 122.019 120.200 -0.021 0.000 2.390 2 E HA 0.673 5.023 4.350 -0.001 0.000 0.261 2 E C -0.469 176.110 176.600 -0.034 0.000 1.076 2 E CA 0.169 56.554 56.400 -0.024 0.000 0.905 2 E CB 0.922 30.610 29.700 -0.019 0.000 0.984 2 E HN 0.736 nan 8.360 nan 0.000 0.427 3 S N 1.605 117.278 115.700 -0.045 0.000 2.588 3 S HA 0.610 5.080 4.470 -0.001 0.000 0.269 3 S C -1.300 173.246 174.600 -0.091 0.000 1.157 3 S CA -1.097 57.067 58.200 -0.060 0.000 0.824 3 S CB 1.134 64.313 63.200 -0.035 0.000 1.126 3 S HN 0.472 nan 8.310 nan 0.000 0.464 4 L N 0.818 121.958 121.223 -0.137 0.000 2.401 4 L HA 0.830 5.170 4.340 -0.001 0.000 0.266 4 L C -1.479 175.313 176.870 -0.130 0.000 0.991 4 L CA -0.262 54.464 54.840 -0.190 0.000 0.818 4 L CB 2.250 44.066 42.059 -0.407 0.000 1.321 4 L HN 0.853 nan 8.230 nan 0.000 0.413 5 T N 5.402 119.912 114.554 -0.073 0.000 2.779 5 T HA 0.515 4.865 4.350 -0.001 0.000 0.280 5 T C -0.338 174.360 174.700 -0.003 0.000 0.987 5 T CA -0.317 61.788 62.100 0.007 0.000 0.966 5 T CB 1.201 70.105 68.868 0.060 0.000 0.933 5 T HN 0.418 nan 8.240 nan 0.000 0.442 6 L N 3.687 124.931 121.223 0.034 0.000 2.275 6 L HA 0.407 4.747 4.340 -0.001 0.000 0.288 6 L C 0.700 177.620 176.870 0.083 0.000 1.046 6 L CA -0.788 54.084 54.840 0.054 0.000 0.805 6 L CB 1.202 43.319 42.059 0.096 0.000 1.193 6 L HN 0.496 nan 8.230 nan 0.000 0.426 7 Q N 3.584 123.423 119.800 0.064 0.000 2.312 7 Q HA 0.300 4.640 4.340 -0.001 0.000 0.236 7 Q C -2.201 173.844 176.000 0.074 0.000 0.965 7 Q CA -1.893 53.950 55.803 0.067 0.000 0.894 7 Q CB 0.613 29.376 28.738 0.043 0.000 1.225 7 Q HN 0.335 nan 8.270 nan 0.000 0.478 8 P HA -0.059 nan 4.420 nan 0.000 0.264 8 P C -0.925 176.409 177.300 0.057 0.000 1.183 8 P CA 0.822 63.969 63.100 0.078 0.000 0.763 8 P CB 0.323 32.068 31.700 0.074 0.000 0.807 9 I N 2.235 122.837 120.570 0.053 0.000 2.330 9 I HA 0.247 4.417 4.170 -0.001 0.000 0.289 9 I C 1.267 177.395 176.117 0.019 0.000 1.001 9 I CA -0.370 60.949 61.300 0.033 0.000 1.193 9 I CB 1.639 39.657 38.000 0.031 0.000 1.345 9 I HN 0.363 nan 8.210 nan 0.000 0.461 10 A N 6.541 129.371 122.820 0.015 0.000 1.968 10 A HA 0.054 4.374 4.320 -0.001 0.000 0.217 10 A C 1.154 178.737 177.584 -0.002 0.000 1.169 10 A CA 1.148 53.191 52.037 0.010 0.000 0.638 10 A CB 0.098 19.104 19.000 0.011 0.000 0.812 10 A HN 0.757 nan 8.150 nan 0.000 0.446 11 R N -1.541 118.955 120.500 -0.006 0.000 2.664 11 R HA 0.458 4.797 4.340 -0.001 0.000 0.266 11 R C -1.990 174.304 176.300 -0.011 0.000 1.046 11 R CA -0.190 55.902 56.100 -0.013 0.000 0.885 11 R CB 1.693 31.987 30.300 -0.010 0.000 1.254 11 R HN 0.308 nan 8.270 nan 0.000 0.465 12 V N -0.220 119.686 119.914 -0.014 0.000 2.680 12 V HA 0.768 4.888 4.120 -0.001 0.000 0.309 12 V C -0.924 175.164 176.094 -0.010 0.000 1.052 12 V CA -0.516 61.782 62.300 -0.005 0.000 0.908 12 V CB 1.890 33.722 31.823 0.015 0.000 1.001 12 V HN 0.844 nan 8.190 nan 0.000 0.431 13 D N 1.113 121.503 120.400 -0.016 0.000 2.787 13 D HA 0.596 5.236 4.640 -0.001 0.000 0.215 13 D C -0.328 175.948 176.300 -0.039 0.000 1.246 13 D CA 0.764 54.748 54.000 -0.025 0.000 0.798 13 D CB 2.174 42.959 40.800 -0.026 0.000 1.649 13 D HN 1.424 nan 8.370 nan 0.000 0.507 14 G N 0.998 109.768 108.800 -0.050 0.000 2.350 14 G HA2 0.266 4.225 3.960 -0.001 0.000 0.282 14 G HA3 0.266 4.225 3.960 -0.001 0.000 0.282 14 G C -1.495 173.355 174.900 -0.084 0.000 1.314 14 G CA -0.435 44.624 45.100 -0.068 0.000 0.915 14 G HN 0.456 nan 8.290 nan 0.000 0.499 15 T N 0.862 115.356 114.554 -0.100 0.000 2.881 15 T HA 0.639 4.989 4.350 -0.001 0.000 0.290 15 T C -0.619 173.998 174.700 -0.138 0.000 1.000 15 T CA -0.427 61.609 62.100 -0.107 0.000 0.978 15 T CB 1.418 70.229 68.868 -0.096 0.000 0.997 15 T HN 0.534 nan 8.240 nan 0.000 0.443 16 I N 3.578 124.054 120.570 -0.157 0.000 2.406 16 I HA 0.358 4.527 4.170 -0.001 0.000 0.290 16 I C -0.361 175.694 176.117 -0.104 0.000 0.999 16 I CA -0.975 60.198 61.300 -0.212 0.000 1.124 16 I CB 1.815 39.540 38.000 -0.459 0.000 1.289 16 I HN 0.551 nan 8.210 nan 0.000 0.441 17 N N 7.299 125.954 118.700 -0.074 0.000 2.420 17 N HA 0.365 5.104 4.740 -0.001 0.000 0.249 17 N C -0.196 175.299 175.510 -0.025 0.000 1.033 17 N CA -0.424 52.606 53.050 -0.033 0.000 0.944 17 N CB 1.593 40.064 38.487 -0.027 0.000 1.113 17 N HN 0.446 nan 8.380 nan 0.000 0.502 18 L N 3.453 124.668 121.223 -0.012 0.000 2.461 18 L HA 0.207 4.547 4.340 -0.001 0.000 0.272 18 L C -1.443 175.377 176.870 -0.084 0.000 1.197 18 L CA -1.214 53.609 54.840 -0.029 0.000 0.836 18 L CB -0.051 42.005 42.059 -0.006 0.000 1.105 18 L HN 0.266 nan 8.230 nan 0.000 0.477 19 P HA 0.120 nan 4.420 nan 0.000 0.276 19 P C -0.213 177.000 177.300 -0.145 0.000 1.252 19 P CA -0.428 62.553 63.100 -0.199 0.000 0.802 19 P CB 0.563 32.017 31.700 -0.411 0.000 1.035 20 G N 0.341 109.086 108.800 -0.090 0.000 2.614 20 G HA2 0.178 4.138 3.960 -0.001 0.000 0.239 20 G HA3 0.178 4.138 3.960 -0.001 0.000 0.239 20 G C 0.050 174.919 174.900 -0.052 0.000 1.240 20 G CA -0.265 44.804 45.100 -0.053 0.000 0.842 20 G HN 0.539 nan 8.290 nan 0.000 0.584 21 S N 0.082 115.773 115.700 -0.016 0.000 2.516 21 S HA 0.052 4.522 4.470 -0.001 0.000 0.282 21 S C 1.599 176.208 174.600 0.015 0.000 1.286 21 S CA -0.312 57.891 58.200 0.006 0.000 1.066 21 S CB 0.870 64.092 63.200 0.036 0.000 0.884 21 S HN 0.684 nan 8.310 nan 0.000 0.491 22 K N 3.739 124.147 120.400 0.014 0.000 2.057 22 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 22 K C 1.902 178.515 176.600 0.023 0.000 1.050 22 K CA 1.779 58.072 56.287 0.009 0.000 0.935 22 K CB -0.654 31.852 32.500 0.010 0.000 0.715 22 K HN 0.668 nan 8.250 nan 0.000 0.439 23 S N 0.729 116.466 115.700 0.061 0.000 2.356 23 S HA -0.108 4.361 4.470 -0.001 0.000 0.223 23 S C 2.041 176.680 174.600 0.065 0.000 1.032 23 S CA 1.423 59.673 58.200 0.083 0.000 1.005 23 S CB -0.179 63.141 63.200 0.199 0.000 0.867 23 S HN 0.146 nan 8.310 nan 0.000 0.449 24 V N 1.414 121.375 119.914 0.077 0.000 2.379 24 V HA -0.114 4.006 4.120 -0.001 0.000 0.245 24 V C 2.410 178.543 176.094 0.065 0.000 1.044 24 V CA 1.660 64.015 62.300 0.092 0.000 1.036 24 V CB -0.882 31.024 31.823 0.139 0.000 0.664 24 V HN 0.401 nan 8.190 nan 0.000 0.453 25 S N 0.753 116.479 115.700 0.044 0.000 2.353 25 S HA -0.215 4.255 4.470 -0.001 0.000 0.222 25 S C 1.912 176.492 174.600 -0.034 0.000 1.035 25 S CA 1.807 60.016 58.200 0.016 0.000 1.025 25 S CB -0.459 62.739 63.200 -0.003 0.000 0.902 25 S HN 0.585 nan 8.310 nan 0.000 0.440 26 N N 0.829 119.504 118.700 -0.042 0.000 2.244 26 N HA 0.049 4.788 4.740 -0.001 0.000 0.183 26 N C 1.758 177.199 175.510 -0.115 0.000 1.016 26 N CA 0.708 53.714 53.050 -0.075 0.000 0.866 26 N CB -0.184 38.267 38.487 -0.060 0.000 0.980 26 N HN 0.346 nan 8.380 nan 0.000 0.430 27 R N 0.352 120.788 120.500 -0.107 0.000 2.075 27 R HA 0.078 4.418 4.340 -0.001 0.000 0.232 27 R C 2.119 178.241 176.300 -0.297 0.000 1.126 27 R CA 1.262 57.255 56.100 -0.178 0.000 0.963 27 R CB -0.275 29.952 30.300 -0.122 0.000 0.858 27 R HN 0.148 nan 8.270 nan 0.000 0.435 28 A N 1.059 123.750 122.820 -0.215 0.000 1.933 28 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 28 A C 2.138 179.548 177.584 -0.290 0.000 1.175 28 A CA 1.111 52.986 52.037 -0.270 0.000 0.628 28 A CB -0.469 18.514 19.000 -0.028 0.000 0.814 28 A HN 0.173 nan 8.150 nan 0.000 0.444 29 L N -1.184 119.922 121.223 -0.196 0.000 2.056 29 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 29 L C 2.544 179.272 176.870 -0.236 0.000 1.078 29 L CA 1.140 55.868 54.840 -0.187 0.000 0.749 29 L CB -0.456 41.503 42.059 -0.166 0.000 0.901 29 L HN 0.470 nan 8.230 nan 0.000 0.433 30 L N -0.231 120.833 121.223 -0.265 0.000 2.056 30 L HA -0.182 4.158 4.340 -0.001 0.000 0.207 30 L C 2.269 178.898 176.870 -0.400 0.000 1.078 30 L CA 1.706 56.384 54.840 -0.270 0.000 0.749 30 L CB -0.418 41.497 42.059 -0.240 0.000 0.901 30 L HN 0.102 nan 8.230 nan 0.000 0.433 31 L N -0.661 120.163 121.223 -0.665 0.000 2.093 31 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 31 L C 2.669 179.077 176.870 -0.770 0.000 1.085 31 L CA 1.098 55.309 54.840 -1.049 0.000 0.755 31 L CB -0.965 39.985 42.059 -1.848 0.000 0.904 31 L HN 0.368 nan 8.230 nan 0.000 0.435 32 A N 0.128 122.608 122.820 -0.566 0.000 1.933 32 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 32 A C 2.520 180.081 177.584 -0.039 0.000 1.175 32 A CA 1.736 53.746 52.037 -0.044 0.000 0.628 32 A CB -0.617 18.417 19.000 0.056 0.000 0.814 32 A HN 0.405 nan 8.150 nan 0.000 0.444 33 A N -0.508 122.247 122.820 -0.108 0.000 1.930 33 A HA 0.059 4.379 4.320 -0.001 0.000 0.217 33 A C 2.087 179.637 177.584 -0.056 0.000 1.175 33 A CA 1.369 53.372 52.037 -0.057 0.000 0.627 33 A CB -0.462 18.499 19.000 -0.065 0.000 0.815 33 A HN 0.464 nan 8.150 nan 0.000 0.443 34 L N -0.785 120.386 121.223 -0.087 0.000 2.240 34 L HA 0.110 4.450 4.340 -0.001 0.000 0.211 34 L C 1.710 178.610 176.870 0.050 0.000 1.106 34 L CA 0.171 54.999 54.840 -0.019 0.000 0.793 34 L CB -0.503 41.568 42.059 0.019 0.000 0.927 34 L HN 0.393 nan 8.230 nan 0.000 0.446 35 A N -0.865 122.006 122.820 0.086 0.000 2.327 35 A HA 0.228 4.548 4.320 -0.001 0.000 0.255 35 A C -0.693 176.939 177.584 0.080 0.000 1.099 35 A CA -0.184 51.983 52.037 0.216 0.000 0.801 35 A CB -0.085 19.123 19.000 0.347 0.000 1.062 35 A HN 0.247 nan 8.150 nan 0.000 0.496 36 H N -0.744 118.412 119.070 0.142 0.000 2.527 36 H HA 0.545 5.100 4.556 -0.001 0.000 0.321 36 H C 0.817 176.199 175.328 0.090 0.000 1.087 36 H CA 1.086 57.192 56.048 0.098 0.000 1.337 36 H CB 1.012 30.822 29.762 0.079 0.000 1.440 36 H HN 1.356 nan 8.280 nan 0.000 0.490 37 G N 1.795 110.689 108.800 0.156 0.000 2.592 37 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.684 37 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.684 37 G C -1.042 173.914 174.900 0.093 0.000 1.291 37 G CA -0.908 44.260 45.100 0.114 0.000 0.891 37 G HN 0.702 nan 8.290 nan 0.000 0.544 38 K N 0.059 120.505 120.400 0.077 0.000 2.211 38 K HA 0.663 4.983 4.320 -0.001 0.000 0.275 38 K C -0.305 176.339 176.600 0.074 0.000 1.024 38 K CA -0.327 56.005 56.287 0.074 0.000 0.887 38 K CB 0.889 33.426 32.500 0.061 0.000 1.084 38 K HN 0.546 nan 8.250 nan 0.000 0.463 39 T N 2.871 117.480 114.554 0.092 0.000 2.823 39 T HA 0.321 4.670 4.350 -0.001 0.000 0.279 39 T C -0.962 173.794 174.700 0.093 0.000 0.998 39 T CA -0.623 61.533 62.100 0.094 0.000 0.994 39 T CB 1.465 70.430 68.868 0.162 0.000 0.960 39 T HN 0.294 nan 8.240 nan 0.000 0.448 40 V N 5.011 124.977 119.914 0.086 0.000 2.334 40 V HA 0.406 4.526 4.120 -0.001 0.000 0.281 40 V C -0.271 175.888 176.094 0.109 0.000 1.016 40 V CA -0.737 61.612 62.300 0.083 0.000 0.832 40 V CB 1.001 32.861 31.823 0.062 0.000 0.999 40 V HN 0.711 nan 8.190 nan 0.000 0.439 41 L N 5.368 126.658 121.223 0.111 0.000 2.289 41 L HA 0.686 5.026 4.340 -0.001 0.000 0.285 41 L C 0.510 177.429 176.870 0.081 0.000 1.049 41 L CA -0.174 54.750 54.840 0.141 0.000 0.804 41 L CB 1.921 44.060 42.059 0.134 0.000 1.195 41 L HN 0.753 nan 8.230 nan 0.000 0.428 42 T N -1.249 113.341 114.554 0.060 0.000 2.908 42 T HA 0.297 4.647 4.350 -0.001 0.000 0.290 42 T C 0.382 175.086 174.700 0.006 0.000 1.034 42 T CA -0.737 61.376 62.100 0.022 0.000 1.010 42 T CB 1.754 70.624 68.868 0.003 0.000 1.068 42 T HN 0.781 nan 8.240 nan 0.000 0.481 43 N N -0.348 118.351 118.700 -0.001 0.000 2.741 43 N HA -0.161 4.578 4.740 -0.001 0.000 0.250 43 N C -0.382 175.126 175.510 -0.002 0.000 1.115 43 N CA -0.004 53.041 53.050 -0.010 0.000 0.724 43 N CB -0.837 37.635 38.487 -0.026 0.000 1.090 43 N HN 0.712 nan 8.380 nan 0.000 0.558 44 L N 1.574 122.803 121.223 0.009 0.000 2.485 44 L HA 0.242 4.582 4.340 -0.001 0.000 0.275 44 L C 0.298 177.162 176.870 -0.011 0.000 1.207 44 L CA 0.102 54.947 54.840 0.007 0.000 0.855 44 L CB 0.507 42.566 42.059 0.001 0.000 1.114 44 L HN 0.220 nan 8.230 nan 0.000 0.485 45 L N 4.145 125.357 121.223 -0.019 0.000 2.380 45 L HA 0.286 4.626 4.340 -0.001 0.000 0.273 45 L C -0.643 176.211 176.870 -0.026 0.000 1.138 45 L CA 0.222 55.044 54.840 -0.030 0.000 0.832 45 L CB 0.661 42.698 42.059 -0.037 0.000 1.124 45 L HN 0.723 nan 8.230 nan 0.000 0.454 46 D N 3.367 123.758 120.400 -0.015 0.000 2.454 46 D HA 0.538 5.178 4.640 -0.001 0.000 0.225 46 D C -0.950 175.350 176.300 -0.000 0.000 1.081 46 D CA 0.122 54.117 54.000 -0.009 0.000 0.864 46 D CB 0.695 41.500 40.800 0.008 0.000 1.040 46 D HN 0.705 nan 8.370 nan 0.000 0.517 47 S N 2.140 117.827 115.700 -0.022 0.000 2.643 47 S HA 0.320 4.789 4.470 -0.001 0.000 0.270 47 S C 0.390 174.947 174.600 -0.071 0.000 1.166 47 S CA -0.796 57.393 58.200 -0.019 0.000 0.815 47 S CB 1.215 64.411 63.200 -0.008 0.000 1.139 47 S HN 0.095 nan 8.310 nan 0.000 0.472 48 D N 1.164 121.516 120.400 -0.080 0.000 2.104 48 D HA -0.093 4.546 4.640 -0.001 0.000 0.194 48 D C 1.055 177.250 176.300 -0.175 0.000 0.994 48 D CA 1.747 55.646 54.000 -0.168 0.000 0.830 48 D CB -0.482 40.285 40.800 -0.056 0.000 0.959 48 D HN 0.619 nan 8.370 nan 0.000 0.452 49 D N -0.061 120.308 120.400 -0.051 0.000 2.144 49 D HA -0.091 4.549 4.640 -0.001 0.000 0.199 49 D C 2.219 178.509 176.300 -0.017 0.000 0.984 49 D CA 0.365 54.372 54.000 0.011 0.000 0.834 49 D CB -0.115 40.668 40.800 -0.028 0.000 0.955 49 D HN 0.099 nan 8.370 nan 0.000 0.465 50 V N 0.401 120.281 119.914 -0.057 0.000 2.488 50 V HA -0.118 4.001 4.120 -0.001 0.000 0.246 50 V C 2.455 178.501 176.094 -0.082 0.000 1.046 50 V CA 1.117 63.379 62.300 -0.063 0.000 1.053 50 V CB -0.367 31.419 31.823 -0.062 0.000 0.679 50 V HN 0.101 nan 8.190 nan 0.000 0.458 51 R N -0.640 119.784 120.500 -0.127 0.000 2.105 51 R HA -0.194 4.146 4.340 -0.001 0.000 0.239 51 R C 2.383 178.613 176.300 -0.117 0.000 1.135 51 R CA 1.651 57.665 56.100 -0.143 0.000 0.967 51 R CB -0.274 29.906 30.300 -0.201 0.000 0.861 51 R HN 0.563 nan 8.270 nan 0.000 0.442 52 H N -0.136 118.945 119.070 0.019 0.000 2.389 52 H HA -0.123 4.433 4.556 -0.001 0.000 0.299 52 H C 1.922 177.255 175.328 0.009 0.000 1.081 52 H CA 1.759 57.827 56.048 0.034 0.000 1.345 52 H CB -0.216 29.555 29.762 0.014 0.000 1.393 52 H HN 0.234 nan 8.280 nan 0.000 0.520 53 M N 0.685 120.332 119.600 0.079 0.000 2.132 53 M HA -0.074 4.406 4.480 -0.001 0.000 0.263 53 M C 2.090 178.385 176.300 -0.008 0.000 1.065 53 M CA 1.277 56.584 55.300 0.012 0.000 1.122 53 M CB -0.634 31.942 32.600 -0.040 0.000 1.365 53 M HN 0.114 nan 8.290 nan 0.000 0.411 54 L N -0.183 121.015 121.223 -0.042 0.000 2.046 54 L HA -0.248 4.091 4.340 -0.001 0.000 0.208 54 L C 2.024 178.972 176.870 0.131 0.000 1.077 54 L CA 1.793 56.593 54.840 -0.067 0.000 0.747 54 L CB -0.934 41.049 42.059 -0.127 0.000 0.896 54 L HN 0.470 nan 8.230 nan 0.000 0.432 55 N N -0.396 118.379 118.700 0.125 0.000 2.188 55 N HA -0.151 4.589 4.740 -0.001 0.000 0.184 55 N C 1.926 177.517 175.510 0.136 0.000 1.018 55 N CA 0.896 54.037 53.050 0.152 0.000 0.858 55 N CB -0.136 38.447 38.487 0.160 0.000 0.989 55 N HN 0.323 nan 8.380 nan 0.000 0.426 56 A N 1.411 124.299 122.820 0.113 0.000 1.902 56 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 56 A C 2.140 179.769 177.584 0.076 0.000 1.181 56 A CA 0.960 53.045 52.037 0.080 0.000 0.623 56 A CB -0.674 18.355 19.000 0.048 0.000 0.818 56 A HN 0.156 nan 8.150 nan 0.000 0.443 57 L N -0.828 120.449 121.223 0.090 0.000 2.046 57 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 57 L C 2.783 179.748 176.870 0.159 0.000 1.077 57 L CA 1.750 56.658 54.840 0.112 0.000 0.747 57 L CB -1.069 41.060 42.059 0.116 0.000 0.896 57 L HN 0.332 nan 8.230 nan 0.000 0.432 58 T N 0.065 114.748 114.554 0.215 0.000 2.684 58 T HA -0.194 4.155 4.350 -0.001 0.000 0.267 58 T C 1.994 176.729 174.700 0.058 0.000 1.036 58 T CA 1.472 63.639 62.100 0.111 0.000 1.148 58 T CB -0.224 68.700 68.868 0.093 0.000 0.863 58 T HN 0.462 nan 8.240 nan 0.000 0.436 59 A N 0.892 123.753 122.820 0.069 0.000 1.972 59 A HA 0.070 4.389 4.320 -0.001 0.000 0.219 59 A C 2.110 179.719 177.584 0.041 0.000 1.169 59 A CA 1.069 53.136 52.037 0.050 0.000 0.635 59 A CB -0.684 18.352 19.000 0.058 0.000 0.810 59 A HN 0.510 nan 8.150 nan 0.000 0.446 60 L N -1.446 119.803 121.223 0.043 0.000 2.599 60 L HA 0.174 4.514 4.340 -0.001 0.000 0.230 60 L C 1.653 178.543 176.870 0.033 0.000 1.141 60 L CA 0.595 55.455 54.840 0.033 0.000 0.877 60 L CB -0.075 41.995 42.059 0.019 0.000 1.009 60 L HN 0.587 nan 8.230 nan 0.000 0.447 61 G N -0.425 108.395 108.800 0.032 0.000 2.159 61 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.227 61 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.227 61 G C 0.178 175.091 174.900 0.022 0.000 0.986 61 G CA -0.118 44.995 45.100 0.022 0.000 0.651 61 G HN 0.058 nan 8.290 nan 0.000 0.523 62 V N 1.133 121.074 119.914 0.045 0.000 2.614 62 V HA 0.601 4.721 4.120 -0.001 0.000 0.291 62 V C 0.987 177.111 176.094 0.049 0.000 1.049 62 V CA 0.544 62.885 62.300 0.069 0.000 1.038 62 V CB 1.656 33.550 31.823 0.119 0.000 0.980 62 V HN 0.488 nan 8.190 nan 0.000 0.481 63 S N 4.477 120.197 115.700 0.033 0.000 2.462 63 S HA 0.763 5.232 4.470 -0.001 0.000 0.294 63 S C -0.980 173.648 174.600 0.048 0.000 1.144 63 S CA -0.483 57.691 58.200 -0.044 0.000 1.088 63 S CB 0.397 63.580 63.200 -0.027 0.000 1.009 63 S HN 0.722 nan 8.310 nan 0.000 0.484 64 Y N 0.214 120.521 120.300 0.011 0.000 2.656 64 Y HA 0.739 5.289 4.550 -0.001 0.000 0.334 64 Y C -0.690 175.219 175.900 0.014 0.000 1.179 64 Y CA -1.071 57.037 58.100 0.015 0.000 1.050 64 Y CB 0.750 39.219 38.460 0.014 0.000 1.308 64 Y HN 0.566 nan 8.280 nan 0.000 0.456 65 T N 0.311 115.025 114.554 0.266 0.000 2.900 65 T HA 0.819 5.169 4.350 -0.001 0.000 0.295 65 T C -1.345 173.494 174.700 0.231 0.000 1.044 65 T CA -0.780 61.426 62.100 0.176 0.000 0.995 65 T CB 1.736 70.653 68.868 0.081 0.000 1.072 65 T HN 0.839 nan 8.240 nan 0.000 0.473 66 L N 2.347 123.677 121.223 0.179 0.000 2.354 66 L HA 0.628 4.967 4.340 -0.001 0.000 0.269 66 L C 0.836 177.753 176.870 0.077 0.000 1.005 66 L CA -1.075 53.842 54.840 0.128 0.000 0.819 66 L CB 2.451 44.592 42.059 0.136 0.000 1.311 66 L HN 1.039 nan 8.230 nan 0.000 0.423 67 S N 1.077 116.811 115.700 0.057 0.000 2.617 67 S HA 0.305 4.774 4.470 -0.001 0.000 0.259 67 S C 1.228 175.851 174.600 0.037 0.000 1.301 67 S CA -0.018 58.207 58.200 0.041 0.000 0.984 67 S CB 1.286 64.506 63.200 0.033 0.000 0.954 67 S HN 0.725 nan 8.310 nan 0.000 0.572 68 A N 1.065 123.903 122.820 0.029 0.000 1.948 68 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 68 A C 1.649 179.248 177.584 0.026 0.000 1.177 68 A CA 1.921 53.974 52.037 0.026 0.000 0.636 68 A CB -1.197 17.815 19.000 0.021 0.000 0.815 68 A HN 0.981 nan 8.150 nan 0.000 0.449 69 D N -2.265 118.149 120.400 0.025 0.000 2.328 69 D HA 0.057 4.696 4.640 -0.001 0.000 0.221 69 D C 0.690 177.005 176.300 0.024 0.000 1.072 69 D CA 0.000 54.015 54.000 0.024 0.000 0.850 69 D CB -0.497 40.316 40.800 0.021 0.000 0.922 69 D HN 0.463 nan 8.370 nan 0.000 0.516 70 R N -1.248 119.268 120.500 0.027 0.000 3.875 70 R HA -0.173 4.167 4.340 -0.001 0.000 0.321 70 R C 0.713 177.021 176.300 0.013 0.000 1.196 70 R CA 1.345 57.459 56.100 0.024 0.000 0.868 70 R CB -3.022 27.291 30.300 0.021 0.000 1.333 70 R HN 0.518 nan 8.270 nan 0.000 0.522 71 T N -3.139 111.424 114.554 0.014 0.000 3.040 71 T HA 0.132 4.481 4.350 -0.001 0.000 0.250 71 T C 0.636 175.344 174.700 0.014 0.000 1.058 71 T CA -0.171 61.934 62.100 0.008 0.000 0.988 71 T CB 0.386 69.257 68.868 0.006 0.000 0.993 71 T HN 0.297 nan 8.240 nan 0.000 0.519 72 R N 0.035 120.548 120.500 0.022 0.000 2.437 72 R HA 0.646 4.986 4.340 -0.001 0.000 0.310 72 R C -1.825 174.499 176.300 0.039 0.000 0.955 72 R CA -0.702 55.416 56.100 0.030 0.000 0.851 72 R CB 1.448 31.766 30.300 0.031 0.000 1.161 72 R HN 0.301 nan 8.270 nan 0.000 0.446 73 C N 3.873 123.197 119.300 0.040 0.000 2.431 73 C HA 0.418 4.877 4.460 -0.001 0.000 0.321 73 C C -0.683 174.349 174.990 0.070 0.000 1.202 73 C CA -0.491 58.555 59.018 0.046 0.000 1.398 73 C CB 1.391 29.116 27.740 -0.025 0.000 2.047 73 C HN 0.991 nan 8.230 nan 0.000 0.465 74 E N 4.759 125.020 120.200 0.103 0.000 2.092 74 E HA 0.601 4.950 4.350 -0.001 0.000 0.271 74 E C -1.123 175.560 176.600 0.138 0.000 0.919 74 E CA -0.388 56.073 56.400 0.101 0.000 0.760 74 E CB 0.615 30.367 29.700 0.086 0.000 1.106 74 E HN 0.663 nan 8.360 nan 0.000 0.408 75 I N 5.167 125.809 120.570 0.121 0.000 2.354 75 I HA 0.221 4.391 4.170 -0.001 0.000 0.292 75 I C -0.300 175.883 176.117 0.111 0.000 0.989 75 I CA -0.634 60.749 61.300 0.139 0.000 1.188 75 I CB 1.298 39.354 38.000 0.093 0.000 1.342 75 I HN 0.493 nan 8.210 nan 0.000 0.457 76 I N 5.629 126.263 120.570 0.107 0.000 2.308 76 I HA 0.238 4.408 4.170 -0.001 0.000 0.293 76 I C 1.076 177.228 176.117 0.060 0.000 1.078 76 I CA -0.065 61.279 61.300 0.073 0.000 1.292 76 I CB 0.156 38.189 38.000 0.055 0.000 1.423 76 I HN 0.671 nan 8.210 nan 0.000 0.493 77 G N 4.401 113.234 108.800 0.054 0.000 2.432 77 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.239 77 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.239 77 G C 0.787 175.673 174.900 -0.024 0.000 1.291 77 G CA -0.195 44.920 45.100 0.025 0.000 0.863 77 G HN 0.720 nan 8.290 nan 0.000 0.560 78 N N 0.553 119.224 118.700 -0.049 0.000 2.457 78 N HA 0.065 4.804 4.740 -0.001 0.000 0.180 78 N C 1.772 177.181 175.510 -0.168 0.000 1.050 78 N CA 1.363 54.373 53.050 -0.067 0.000 0.906 78 N CB -0.057 38.406 38.487 -0.040 0.000 0.968 78 N HN 1.068 nan 8.380 nan 0.000 0.445 79 G N -1.101 107.484 108.800 -0.358 0.000 2.272 79 G HA2 0.082 4.042 3.960 -0.001 0.000 0.280 79 G HA3 0.082 4.042 3.960 -0.001 0.000 0.280 79 G C 0.345 174.967 174.900 -0.464 0.000 1.067 79 G CA 0.564 45.082 45.100 -0.970 0.000 0.902 79 G HN 0.882 nan 8.290 nan 0.000 0.500 80 G N -1.660 107.035 108.800 -0.175 0.000 2.361 80 G HA2 0.471 4.431 3.960 -0.001 0.000 0.331 80 G HA3 0.471 4.431 3.960 -0.001 0.000 0.331 80 G C -2.939 171.962 174.900 0.002 0.000 1.324 80 G CA -0.145 44.958 45.100 0.005 0.000 0.984 80 G HN 0.545 nan 8.290 nan 0.000 0.586 81 P HA 0.275 nan 4.420 nan 0.000 0.264 81 P C 0.273 177.416 177.300 -0.262 0.000 1.179 81 P CA 0.033 63.064 63.100 -0.114 0.000 0.763 81 P CB 0.331 31.974 31.700 -0.095 0.000 0.806 82 L N 3.836 124.870 121.223 -0.314 0.000 2.395 82 L HA 0.354 4.694 4.340 -0.001 0.000 0.269 82 L C 0.763 177.319 176.870 -0.523 0.000 1.133 82 L CA -0.200 54.480 54.840 -0.267 0.000 0.812 82 L CB 0.299 42.272 42.059 -0.143 0.000 1.125 82 L HN 0.471 nan 8.230 nan 0.000 0.452 83 H N 1.133 120.208 119.070 0.007 0.000 2.851 83 H HA 0.801 5.357 4.556 -0.001 0.000 0.372 83 H C -1.000 174.333 175.328 0.009 0.000 1.158 83 H CA -0.702 55.351 56.048 0.009 0.000 1.159 83 H CB 2.268 32.036 29.762 0.010 0.000 1.757 83 H HN 0.714 nan 8.280 nan 0.000 0.546 84 A N 1.943 124.852 122.820 0.149 0.000 2.605 84 A HA 0.571 4.890 4.320 -0.001 0.000 0.294 84 A C -1.003 176.626 177.584 0.074 0.000 1.062 84 A CA -0.703 51.385 52.037 0.086 0.000 0.682 84 A CB 2.197 21.229 19.000 0.053 0.000 1.278 84 A HN 0.683 nan 8.150 nan 0.000 0.410 85 E N -0.772 119.458 120.200 0.050 0.000 2.447 85 E HA 0.641 4.991 4.350 -0.001 0.000 0.258 85 E C 0.486 177.103 176.600 0.028 0.000 0.916 85 E CA -0.624 55.798 56.400 0.037 0.000 0.846 85 E CB 1.587 31.304 29.700 0.027 0.000 1.517 85 E HN 2.066 nan 8.360 nan 0.000 0.418 86 G N 0.127 108.940 108.800 0.021 0.000 2.160 86 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.251 86 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.251 86 G C 0.615 175.526 174.900 0.020 0.000 1.008 86 G CA 0.429 45.540 45.100 0.018 0.000 0.724 86 G HN 1.352 nan 8.290 nan 0.000 0.514 87 A N -2.427 120.406 122.820 0.020 0.000 2.745 87 A HA -0.045 4.274 4.320 -0.001 0.000 0.296 87 A C 0.973 178.572 177.584 0.024 0.000 1.500 87 A CA 1.531 53.580 52.037 0.020 0.000 0.766 87 A CB -1.610 17.401 19.000 0.018 0.000 1.030 87 A HN 2.267 nan 8.150 nan 0.000 0.489 88 L N 0.438 121.677 121.223 0.026 0.000 2.601 88 L HA 0.265 4.604 4.340 -0.001 0.000 0.277 88 L C 0.660 177.551 176.870 0.034 0.000 1.219 88 L CA 1.313 56.171 54.840 0.030 0.000 0.915 88 L CB 0.292 42.370 42.059 0.032 0.000 1.160 88 L HN 0.495 nan 8.230 nan 0.000 0.494 89 E N 5.580 125.806 120.200 0.043 0.000 2.200 89 E HA 0.354 4.704 4.350 -0.001 0.000 0.283 89 E C -1.366 175.278 176.600 0.073 0.000 1.015 89 E CA -0.594 55.839 56.400 0.055 0.000 0.819 89 E CB 0.680 30.421 29.700 0.068 0.000 1.081 89 E HN 0.687 nan 8.360 nan 0.000 0.397 90 L N 5.719 126.980 121.223 0.064 0.000 2.287 90 L HA 0.388 4.728 4.340 -0.001 0.000 0.287 90 L C -0.499 176.420 176.870 0.081 0.000 1.022 90 L CA -0.896 53.989 54.840 0.074 0.000 0.814 90 L CB 0.841 42.920 42.059 0.032 0.000 1.217 90 L HN 0.576 nan 8.230 nan 0.000 0.420 91 F N 4.770 124.710 119.950 -0.016 0.000 2.411 91 F HA 0.382 4.908 4.527 -0.001 0.000 0.355 91 F C 0.311 176.031 175.800 -0.132 0.000 1.117 91 F CA -0.319 57.645 58.000 -0.060 0.000 1.139 91 F CB 0.741 39.718 39.000 -0.038 0.000 1.120 91 F HN 0.340 nan 8.300 nan 0.000 0.493 92 L N 6.761 127.557 121.223 -0.712 0.000 2.965 92 L HA 0.333 4.673 4.340 -0.001 0.000 0.254 92 L C 1.324 177.646 176.870 -0.913 0.000 1.220 92 L CA 0.107 54.597 54.840 -0.582 0.000 1.023 92 L CB -0.524 41.360 42.059 -0.292 0.000 1.355 92 L HN 1.011 nan 8.230 nan 0.000 0.545 93 G N 1.899 109.854 108.800 -1.409 0.000 2.660 93 G HA2 -0.440 3.520 3.960 -0.001 0.000 0.321 93 G HA3 -0.440 3.520 3.960 -0.001 0.000 0.321 93 G C 0.513 175.147 174.900 -0.443 0.000 1.246 93 G CA 0.840 45.433 45.100 -0.845 0.000 1.000 93 G HN 0.468 nan 8.290 nan 0.000 0.550 94 N N 1.256 119.837 118.700 -0.198 0.000 2.433 94 N HA 0.537 5.277 4.740 -0.001 0.000 0.270 94 N C 0.278 175.736 175.510 -0.087 0.000 1.354 94 N CA 0.885 53.862 53.050 -0.122 0.000 0.889 94 N CB 0.170 38.626 38.487 -0.053 0.000 1.285 94 N HN 1.021 nan 8.380 nan 0.000 0.503 95 A N -0.252 122.510 122.820 -0.097 0.000 2.527 95 A HA 0.525 4.844 4.320 -0.001 0.000 0.313 95 A C 1.514 179.057 177.584 -0.067 0.000 1.410 95 A CA -0.109 51.897 52.037 -0.052 0.000 1.060 95 A CB -0.373 18.632 19.000 0.009 0.000 1.137 95 A HN 0.338 nan 8.150 nan 0.000 0.542 96 G N 1.724 110.487 108.800 -0.063 0.000 2.422 96 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 96 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 96 G C 1.566 176.429 174.900 -0.061 0.000 1.146 96 G CA 1.692 46.758 45.100 -0.058 0.000 0.769 96 G HN 0.826 nan 8.290 nan 0.000 0.547 97 T N -0.740 113.771 114.554 -0.070 0.000 2.833 97 T HA 0.171 4.521 4.350 -0.001 0.000 0.269 97 T C 2.478 177.143 174.700 -0.058 0.000 1.054 97 T CA 1.701 63.759 62.100 -0.069 0.000 1.135 97 T CB -0.234 68.594 68.868 -0.066 0.000 0.869 97 T HN 0.326 nan 8.240 nan 0.000 0.466 98 A N 1.203 123.993 122.820 -0.051 0.000 1.903 98 A HA 0.286 4.606 4.320 -0.001 0.000 0.213 98 A C 2.319 179.871 177.584 -0.054 0.000 1.185 98 A CA 1.445 53.453 52.037 -0.049 0.000 0.628 98 A CB -0.682 18.301 19.000 -0.028 0.000 0.830 98 A HN 0.444 nan 8.150 nan 0.000 0.446 99 M N -0.236 119.329 119.600 -0.058 0.000 2.065 99 M HA -0.117 4.363 4.480 -0.001 0.000 0.259 99 M C 1.952 178.238 176.300 -0.023 0.000 1.069 99 M CA 1.810 57.079 55.300 -0.051 0.000 1.110 99 M CB -0.435 32.134 32.600 -0.052 0.000 1.328 99 M HN 0.256 nan 8.290 nan 0.000 0.405 100 R N -0.369 120.133 120.500 0.003 0.000 2.066 100 R HA 0.017 4.357 4.340 -0.001 0.000 0.232 100 R C 2.001 178.299 176.300 -0.002 0.000 1.131 100 R CA 1.319 57.447 56.100 0.047 0.000 0.955 100 R CB -1.169 29.193 30.300 0.102 0.000 0.851 100 R HN 0.326 nan 8.270 nan 0.000 0.432 101 L N 0.032 121.233 121.223 -0.035 0.000 2.046 101 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 101 L C 2.057 178.880 176.870 -0.079 0.000 1.077 101 L CA 1.578 56.379 54.840 -0.065 0.000 0.747 101 L CB -0.595 41.414 42.059 -0.082 0.000 0.896 101 L HN 0.139 nan 8.230 nan 0.000 0.432 102 L N -1.366 119.814 121.223 -0.070 0.000 2.156 102 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 102 L C 2.626 179.452 176.870 -0.074 0.000 1.095 102 L CA 0.843 55.639 54.840 -0.073 0.000 0.770 102 L CB -0.752 41.270 42.059 -0.061 0.000 0.914 102 L HN 0.254 nan 8.230 nan 0.000 0.439 103 A N 0.269 123.050 122.820 -0.065 0.000 1.940 103 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 103 A C 2.496 180.021 177.584 -0.098 0.000 1.176 103 A CA 1.929 53.923 52.037 -0.072 0.000 0.631 103 A CB -0.520 18.443 19.000 -0.061 0.000 0.814 103 A HN 0.410 nan 8.150 nan 0.000 0.446 104 A N -0.479 122.272 122.820 -0.115 0.000 1.878 104 A HA 0.348 4.667 4.320 -0.001 0.000 0.213 104 A C 2.509 179.978 177.584 -0.192 0.000 1.192 104 A CA 1.604 53.530 52.037 -0.185 0.000 0.619 104 A CB -1.065 17.813 19.000 -0.203 0.000 0.837 104 A HN 1.022 nan 8.150 nan 0.000 0.446 105 A N -0.039 122.694 122.820 -0.145 0.000 1.940 105 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 105 A C 1.923 179.441 177.584 -0.110 0.000 1.176 105 A CA 1.472 53.434 52.037 -0.125 0.000 0.631 105 A CB -0.658 18.277 19.000 -0.109 0.000 0.814 105 A HN 0.464 nan 8.150 nan 0.000 0.446 106 L N -0.751 120.413 121.223 -0.098 0.000 2.610 106 L HA -0.070 4.269 4.340 -0.001 0.000 0.232 106 L C 1.476 178.318 176.870 -0.046 0.000 1.149 106 L CA -0.156 54.634 54.840 -0.084 0.000 0.872 106 L CB -0.395 41.624 42.059 -0.067 0.000 0.992 106 L HN 0.434 nan 8.230 nan 0.000 0.447 107 C N -0.155 119.119 119.300 -0.044 0.000 2.618 107 C HA 0.160 4.619 4.460 -0.001 0.000 0.264 107 C C 1.338 176.384 174.990 0.093 0.000 1.334 107 C CA -0.628 58.403 59.018 0.021 0.000 1.731 107 C CB -0.934 26.815 27.740 0.014 0.000 1.852 107 C HN 0.249 nan 8.230 nan 0.000 0.566 108 L N 1.322 122.579 121.223 0.057 0.000 2.367 108 L HA 0.494 4.834 4.340 -0.001 0.000 0.275 108 L C 1.195 178.165 176.870 0.166 0.000 1.129 108 L CA 1.103 56.013 54.840 0.118 0.000 0.839 108 L CB -0.050 42.048 42.059 0.065 0.000 1.133 108 L HN 0.549 nan 8.230 nan 0.000 0.453 109 G N 3.133 112.048 108.800 0.192 0.000 2.512 109 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.254 109 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.254 109 G C -0.371 174.629 174.900 0.168 0.000 1.199 109 G CA -0.297 44.936 45.100 0.222 0.000 0.941 109 G HN 0.600 nan 8.290 nan 0.000 0.569 110 S N 1.072 116.862 115.700 0.151 0.000 2.537 110 S HA 0.837 5.307 4.470 -0.001 0.000 0.301 110 S C -0.098 174.600 174.600 0.163 0.000 1.092 110 S CA -0.630 57.622 58.200 0.087 0.000 1.048 110 S CB 1.722 64.926 63.200 0.006 0.000 1.053 110 S HN 0.830 nan 8.310 nan 0.000 0.501 111 N N 0.831 119.602 118.700 0.117 0.000 3.185 111 N HA 0.368 5.108 4.740 -0.001 0.000 0.238 111 N C -2.358 173.188 175.510 0.060 0.000 1.451 111 N CA -0.477 52.646 53.050 0.122 0.000 0.888 111 N CB 1.875 40.434 38.487 0.120 0.000 1.413 111 N HN 0.590 nan 8.380 nan 0.000 0.511 112 D N 1.269 121.698 120.400 0.048 0.000 2.337 112 D HA 0.484 5.124 4.640 -0.001 0.000 0.238 112 D C -1.274 175.041 176.300 0.025 0.000 1.331 112 D CA -0.002 54.015 54.000 0.028 0.000 0.967 112 D CB 0.097 40.911 40.800 0.023 0.000 1.382 112 D HN 0.453 nan 8.370 nan 0.000 0.549 113 I N 1.655 122.235 120.570 0.016 0.000 2.647 113 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 113 I C -0.470 175.649 176.117 0.003 0.000 1.078 113 I CA -1.137 60.170 61.300 0.013 0.000 1.048 113 I CB 2.694 40.700 38.000 0.009 0.000 1.239 113 I HN -0.047 nan 8.210 nan 0.000 0.421 114 V N 6.262 126.182 119.914 0.009 0.000 2.459 114 V HA 0.467 4.586 4.120 -0.001 0.000 0.295 114 V C -0.249 175.847 176.094 0.003 0.000 1.029 114 V CA -0.555 61.748 62.300 0.007 0.000 0.874 114 V CB 1.850 33.685 31.823 0.019 0.000 0.985 114 V HN 0.417 nan 8.190 nan 0.000 0.438 115 L N 4.511 125.726 121.223 -0.013 0.000 2.296 115 L HA 0.729 5.069 4.340 -0.001 0.000 0.286 115 L C 0.115 176.960 176.870 -0.041 0.000 1.023 115 L CA 0.084 54.904 54.840 -0.032 0.000 0.812 115 L CB 1.821 43.852 42.059 -0.045 0.000 1.223 115 L HN 0.735 nan 8.230 nan 0.000 0.421 116 T N 1.267 115.774 114.554 -0.079 0.000 2.654 116 T HA 0.902 5.251 4.350 -0.001 0.000 0.289 116 T C -0.471 174.018 174.700 -0.353 0.000 1.062 116 T CA 0.111 62.144 62.100 -0.112 0.000 1.041 116 T CB 2.167 71.033 68.868 -0.003 0.000 1.417 116 T HN 0.828 nan 8.240 nan 0.000 0.510 117 G N -0.051 108.485 108.800 -0.440 0.000 2.500 117 G HA2 0.482 4.442 3.960 -0.001 0.000 0.299 117 G HA3 0.482 4.442 3.960 -0.001 0.000 0.299 117 G C -1.470 173.143 174.900 -0.478 0.000 1.242 117 G CA -0.673 43.868 45.100 -0.932 0.000 0.859 117 G HN 0.756 nan 8.290 nan 0.000 0.481 118 E N 0.685 120.681 120.200 -0.340 0.000 2.409 118 E HA 0.201 4.550 4.350 -0.001 0.000 0.257 118 E C -1.490 175.106 176.600 -0.007 0.000 1.150 118 E CA -1.279 55.126 56.400 0.007 0.000 0.942 118 E CB 1.206 30.927 29.700 0.035 0.000 0.979 118 E HN 0.069 nan 8.360 nan 0.000 0.447 119 P HA -0.227 nan 4.420 nan 0.000 0.216 119 P C 1.193 178.486 177.300 -0.013 0.000 1.154 119 P CA 1.392 64.498 63.100 0.010 0.000 0.865 119 P CB 0.171 31.881 31.700 0.016 0.000 0.789 120 R N -0.577 119.918 120.500 -0.008 0.000 2.120 120 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 120 R C 2.048 178.338 176.300 -0.015 0.000 1.123 120 R CA 1.480 57.573 56.100 -0.011 0.000 0.975 120 R CB -1.510 28.793 30.300 0.005 0.000 0.866 120 R HN 0.066 nan 8.270 nan 0.000 0.446 121 M N 0.635 120.215 119.600 -0.034 0.000 2.279 121 M HA -0.043 4.437 4.480 -0.001 0.000 0.264 121 M C 1.010 177.318 176.300 0.013 0.000 1.062 121 M CA 1.739 57.020 55.300 -0.033 0.000 1.099 121 M CB 0.012 32.546 32.600 -0.110 0.000 1.394 121 M HN 0.046 nan 8.290 nan 0.000 0.426 122 K N -0.178 120.220 120.400 -0.003 0.000 2.525 122 K HA -0.033 4.287 4.320 -0.001 0.000 0.192 122 K C 0.781 177.359 176.600 -0.036 0.000 1.029 122 K CA 0.754 57.052 56.287 0.019 0.000 1.029 122 K CB -0.009 32.487 32.500 -0.007 0.000 0.814 122 K HN 0.544 nan 8.250 nan 0.000 0.503 123 E N 0.296 120.467 120.200 -0.049 0.000 2.526 123 E HA 0.079 4.429 4.350 -0.001 0.000 0.208 123 E C -0.251 176.394 176.600 0.074 0.000 0.997 123 E CA -0.126 56.170 56.400 -0.173 0.000 0.961 123 E CB 0.689 30.307 29.700 -0.137 0.000 1.030 123 E HN 0.085 nan 8.360 nan 0.000 0.483 124 R N 2.707 123.344 120.500 0.229 0.000 2.294 124 R HA 0.244 4.584 4.340 -0.001 0.000 0.319 124 R C -2.442 174.051 176.300 0.323 0.000 0.984 124 R CA -2.063 54.180 56.100 0.239 0.000 0.861 124 R CB 0.857 31.223 30.300 0.110 0.000 1.104 124 R HN -0.040 nan 8.270 nan 0.000 0.451 125 P HA -0.031 nan 4.420 nan 0.000 0.266 125 P C -0.165 177.124 177.300 -0.020 0.000 1.195 125 P CA 0.424 63.446 63.100 -0.130 0.000 0.768 125 P CB 1.042 32.687 31.700 -0.092 0.000 0.838 126 I N 0.861 121.268 120.570 -0.273 0.000 4.665 126 I HA 0.174 4.344 4.170 -0.001 0.000 0.360 126 I C 1.776 177.624 176.117 -0.449 0.000 1.259 126 I CA 0.090 61.217 61.300 -0.288 0.000 1.301 126 I CB 0.155 38.115 38.000 -0.067 0.000 1.746 126 I HN 0.401 nan 8.210 nan 0.000 0.598 127 G N 0.257 108.802 108.800 -0.425 0.000 2.442 127 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 127 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 127 G C 1.187 175.964 174.900 -0.205 0.000 1.141 127 G CA 1.425 46.383 45.100 -0.236 0.000 0.763 127 G HN 0.552 nan 8.290 nan 0.000 0.554 128 H N -0.869 117.923 119.070 -0.464 0.000 2.387 128 H HA -0.027 4.529 4.556 -0.000 0.000 0.299 128 H C 2.421 177.474 175.328 -0.459 0.000 1.090 128 H CA 0.792 56.602 56.048 -0.395 0.000 1.332 128 H CB 0.101 29.703 29.762 -0.267 0.000 1.386 128 H HN 0.323 nan 8.280 nan 0.000 0.516 129 L N 0.528 121.328 121.223 -0.706 0.000 2.072 129 L HA -0.094 4.246 4.340 -0.001 0.000 0.205 129 L C 2.175 178.929 176.870 -0.194 0.000 1.079 129 L CA 1.045 55.650 54.840 -0.392 0.000 0.752 129 L CB -0.433 41.380 42.059 -0.409 0.000 0.906 129 L HN 0.020 nan 8.230 nan 0.000 0.436 130 V N 0.216 120.014 119.914 -0.192 0.000 2.332 130 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 130 V C 2.312 178.375 176.094 -0.051 0.000 1.055 130 V CA 1.976 64.205 62.300 -0.118 0.000 1.038 130 V CB -0.840 30.910 31.823 -0.123 0.000 0.651 130 V HN 0.458 nan 8.190 nan 0.000 0.450 131 D N 0.448 120.835 120.400 -0.021 0.000 2.104 131 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 131 D C 2.233 178.547 176.300 0.023 0.000 0.994 131 D CA 1.786 55.796 54.000 0.016 0.000 0.830 131 D CB -0.382 40.436 40.800 0.030 0.000 0.959 131 D HN 0.454 nan 8.370 nan 0.000 0.452 132 A N 0.602 123.433 122.820 0.018 0.000 1.902 132 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 132 A C 2.437 180.097 177.584 0.127 0.000 1.181 132 A CA 0.909 52.983 52.037 0.062 0.000 0.623 132 A CB -0.804 18.227 19.000 0.053 0.000 0.818 132 A HN 0.204 nan 8.150 nan 0.000 0.443 133 L N -1.120 120.158 121.223 0.092 0.000 2.083 133 L HA -0.198 4.142 4.340 -0.001 0.000 0.209 133 L C 2.859 179.861 176.870 0.219 0.000 1.083 133 L CA 1.499 56.451 54.840 0.187 0.000 0.752 133 L CB -0.442 41.634 42.059 0.028 0.000 0.899 133 L HN 0.347 nan 8.230 nan 0.000 0.433 134 R N -0.120 120.434 120.500 0.090 0.000 2.092 134 R HA -0.112 4.228 4.340 -0.001 0.000 0.231 134 R C 2.280 178.608 176.300 0.047 0.000 1.119 134 R CA 1.079 57.211 56.100 0.053 0.000 0.970 134 R CB -0.343 29.968 30.300 0.017 0.000 0.864 134 R HN 0.313 nan 8.270 nan 0.000 0.440 135 L N -0.517 120.740 121.223 0.057 0.000 2.191 135 L HA -0.096 4.244 4.340 -0.001 0.000 0.212 135 L C 2.182 179.047 176.870 -0.010 0.000 1.103 135 L CA 1.190 56.047 54.840 0.029 0.000 0.769 135 L CB -0.388 41.696 42.059 0.043 0.000 0.908 135 L HN 0.358 nan 8.230 nan 0.000 0.438 136 G N -1.696 107.109 108.800 0.008 0.000 2.985 136 G HA2 0.281 4.241 3.960 -0.001 0.000 0.209 136 G HA3 0.281 4.241 3.960 -0.001 0.000 0.209 136 G C 1.173 175.853 174.900 -0.367 0.000 1.165 136 G CA 0.546 45.471 45.100 -0.291 0.000 0.776 136 G HN 0.503 nan 8.290 nan 0.000 0.541 137 G N -1.367 107.367 108.800 -0.109 0.000 2.211 137 G HA2 0.151 4.110 3.960 -0.001 0.000 0.201 137 G HA3 0.151 4.110 3.960 -0.001 0.000 0.201 137 G C 0.577 175.484 174.900 0.012 0.000 0.997 137 G CA 0.095 45.150 45.100 -0.074 0.000 0.652 137 G HN 1.228 nan 8.290 nan 0.000 0.500 138 A N 0.032 122.911 122.820 0.099 0.000 2.445 138 A HA 0.634 4.953 4.320 -0.001 0.000 0.242 138 A C 0.405 178.009 177.584 0.034 0.000 1.075 138 A CA 1.015 53.114 52.037 0.104 0.000 0.777 138 A CB 0.592 19.684 19.000 0.154 0.000 1.013 138 A HN 0.832 nan 8.150 nan 0.000 0.493 139 K N 1.905 122.314 120.400 0.016 0.000 2.263 139 K HA 0.639 4.958 4.320 -0.001 0.000 0.272 139 K C -1.348 175.226 176.600 -0.043 0.000 1.033 139 K CA 0.108 56.387 56.287 -0.013 0.000 0.884 139 K CB 0.118 32.615 32.500 -0.006 0.000 1.107 139 K HN 0.518 nan 8.250 nan 0.000 0.460 140 I N 3.283 123.799 120.570 -0.089 0.000 2.569 140 I HA 0.300 4.469 4.170 -0.001 0.000 0.290 140 I C -0.719 175.263 176.117 -0.225 0.000 1.088 140 I CA -0.738 60.463 61.300 -0.164 0.000 1.047 140 I CB 2.712 40.575 38.000 -0.229 0.000 1.237 140 I HN 0.515 nan 8.210 nan 0.000 0.421 141 T N 4.367 118.797 114.554 -0.207 0.000 2.807 141 T HA 0.476 4.825 4.350 -0.001 0.000 0.279 141 T C -0.898 173.690 174.700 -0.187 0.000 0.993 141 T CA -0.461 61.541 62.100 -0.163 0.000 0.970 141 T CB 0.737 69.573 68.868 -0.052 0.000 0.950 141 T HN 0.122 nan 8.240 nan 0.000 0.441 142 Y N 2.691 122.992 120.300 0.002 0.000 2.365 142 Y HA 0.283 4.832 4.550 -0.001 0.000 0.340 142 Y C 1.255 177.165 175.900 0.017 0.000 1.016 142 Y CA -0.836 57.270 58.100 0.009 0.000 1.196 142 Y CB 0.445 38.914 38.460 0.014 0.000 1.167 142 Y HN 0.559 nan 8.280 nan 0.000 0.509 143 L N 1.562 122.882 121.223 0.161 0.000 2.446 143 L HA 0.073 4.412 4.340 -0.001 0.000 0.219 143 L C 0.982 177.909 176.870 0.095 0.000 1.116 143 L CA 0.882 55.781 54.840 0.100 0.000 0.844 143 L CB 0.144 42.243 42.059 0.066 0.000 0.970 143 L HN 0.708 nan 8.230 nan 0.000 0.457 144 E N -1.136 119.133 120.200 0.116 0.000 4.072 144 E HA 0.118 4.467 4.350 -0.001 0.000 0.247 144 E C -0.378 176.264 176.600 0.070 0.000 1.033 144 E CA -0.662 55.784 56.400 0.076 0.000 1.019 144 E CB 0.317 30.051 29.700 0.056 0.000 2.662 144 E HN -0.117 nan 8.360 nan 0.000 0.514 145 Q N 2.097 121.930 119.800 0.055 0.000 2.313 145 Q HA 0.061 4.400 4.340 -0.001 0.000 0.266 145 Q C -1.002 174.984 176.000 -0.023 0.000 0.989 145 Q CA 0.170 55.993 55.803 0.034 0.000 0.890 145 Q CB 0.987 29.726 28.738 0.002 0.000 1.200 145 Q HN 0.118 nan 8.270 nan 0.000 0.396 146 E N 3.423 123.522 120.200 -0.167 0.000 2.452 146 E HA -0.072 4.278 4.350 -0.001 0.000 0.261 146 E C -0.361 175.810 176.600 -0.715 0.000 0.987 146 E CA 0.879 56.907 56.400 -0.620 0.000 0.926 146 E CB 0.148 29.657 29.700 -0.319 0.000 0.934 146 E HN 0.724 nan 8.360 nan 0.000 0.452 147 N N 1.470 119.224 118.700 -1.576 0.000 2.979 147 N HA -0.220 4.520 4.740 -0.001 0.000 0.234 147 N C -1.330 173.622 175.510 -0.930 0.000 0.938 147 N CA 1.135 53.602 53.050 -0.972 0.000 0.961 147 N CB -1.587 36.457 38.487 -0.739 0.000 1.089 147 N HN 0.415 nan 8.380 nan 0.000 0.576 148 Y N -0.715 119.470 120.300 -0.192 0.000 2.581 148 Y HA 0.569 5.119 4.550 -0.001 0.000 0.345 148 Y C -2.245 173.727 175.900 0.120 0.000 1.036 148 Y CA -1.981 56.119 58.100 0.001 0.000 1.042 148 Y CB 1.377 39.810 38.460 -0.044 0.000 1.289 148 Y HN -0.263 nan 8.280 nan 0.000 0.471 149 P HA 0.114 nan 4.420 nan 0.000 0.272 149 P C -2.602 174.782 177.300 0.140 0.000 1.240 149 P CA -1.063 62.123 63.100 0.142 0.000 0.791 149 P CB 0.085 31.821 31.700 0.061 0.000 0.978 150 P HA 0.222 nan 4.420 nan 0.000 0.277 150 P C -1.012 176.335 177.300 0.078 0.000 1.240 150 P CA 0.226 63.364 63.100 0.064 0.000 0.798 150 P CB 0.773 32.500 31.700 0.045 0.000 0.979 151 L N 1.539 122.775 121.223 0.021 0.000 2.362 151 L HA 0.588 4.927 4.340 -0.001 0.000 0.271 151 L C 0.679 177.526 176.870 -0.037 0.000 1.002 151 L CA -0.922 53.897 54.840 -0.034 0.000 0.818 151 L CB 2.404 44.413 42.059 -0.082 0.000 1.298 151 L HN 0.342 nan 8.230 nan 0.000 0.420 152 R N 2.863 123.330 120.500 -0.055 0.000 2.310 152 R HA 0.621 4.960 4.340 -0.001 0.000 0.324 152 R C -1.504 174.764 176.300 -0.055 0.000 0.955 152 R CA -0.534 55.545 56.100 -0.036 0.000 0.830 152 R CB 0.919 31.207 30.300 -0.019 0.000 1.154 152 R HN 0.586 nan 8.270 nan 0.000 0.458 153 L N 4.902 126.102 121.223 -0.038 0.000 2.272 153 L HA 0.356 4.696 4.340 -0.001 0.000 0.289 153 L C 0.500 177.364 176.870 -0.010 0.000 1.032 153 L CA -0.298 54.521 54.840 -0.035 0.000 0.810 153 L CB 1.884 43.923 42.059 -0.033 0.000 1.205 153 L HN 0.682 nan 8.230 nan 0.000 0.422 154 Q N 2.387 122.184 119.800 -0.005 0.000 2.155 154 Q HA 0.310 4.649 4.340 -0.001 0.000 0.220 154 Q C 0.726 176.744 176.000 0.030 0.000 0.819 154 Q CA 0.046 55.856 55.803 0.012 0.000 1.032 154 Q CB 1.405 30.145 28.738 0.004 0.000 1.151 154 Q HN 0.967 nan 8.270 nan 0.000 0.487 155 G N 0.038 108.861 108.800 0.039 0.000 2.693 155 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.226 155 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.226 155 G C 0.505 175.449 174.900 0.073 0.000 1.354 155 G CA -0.279 44.861 45.100 0.068 0.000 0.873 155 G HN 0.738 nan 8.290 nan 0.000 0.562 156 G N -2.096 106.759 108.800 0.091 0.000 2.179 156 G HA2 0.097 4.057 3.960 -0.001 0.000 0.220 156 G HA3 0.097 4.057 3.960 -0.001 0.000 0.220 156 G C 0.487 175.435 174.900 0.080 0.000 0.990 156 G CA 0.550 45.691 45.100 0.067 0.000 0.646 156 G HN 2.031 nan 8.290 nan 0.000 0.517 157 F N 3.325 123.277 119.950 0.004 0.000 2.502 157 F HA 0.465 4.992 4.527 -0.001 0.000 0.371 157 F C 1.647 177.452 175.800 0.008 0.000 1.083 157 F CA 1.223 59.224 58.000 0.002 0.000 1.174 157 F CB 1.067 40.066 39.000 -0.002 0.000 1.096 157 F HN 0.132 nan 8.300 nan 0.000 0.545 158 T N 1.844 116.103 114.554 -0.492 0.000 2.985 158 T HA 0.599 4.949 4.350 -0.001 0.000 0.254 158 T C 0.845 175.293 174.700 -0.420 0.000 1.021 158 T CA 0.181 62.099 62.100 -0.304 0.000 0.957 158 T CB -0.104 68.656 68.868 -0.180 0.000 1.047 158 T HN 1.165 nan 8.240 nan 0.000 0.511 159 G N -0.120 108.142 108.800 -0.897 0.000 2.342 159 G HA2 0.438 4.397 3.960 -0.001 0.000 0.220 159 G HA3 0.438 4.397 3.960 -0.001 0.000 0.220 159 G C 0.106 174.798 174.900 -0.348 0.000 1.243 159 G CA -0.194 44.593 45.100 -0.523 0.000 1.083 159 G HN 1.779 nan 8.290 nan 0.000 0.500 160 G N -0.929 107.784 108.800 -0.145 0.000 2.428 160 G HA2 0.225 4.185 3.960 -0.001 0.000 0.202 160 G HA3 0.225 4.185 3.960 -0.001 0.000 0.202 160 G C -0.584 174.299 174.900 -0.028 0.000 1.247 160 G CA 0.306 45.354 45.100 -0.088 0.000 1.020 160 G HN 1.631 nan 8.290 nan 0.000 0.529 161 N N 0.296 118.987 118.700 -0.015 0.000 2.408 161 N HA 0.483 5.222 4.740 -0.001 0.000 0.257 161 N C -0.463 175.067 175.510 0.032 0.000 1.064 161 N CA -0.012 53.048 53.050 0.018 0.000 0.952 161 N CB 1.690 40.186 38.487 0.014 0.000 1.093 161 N HN 0.564 nan 8.380 nan 0.000 0.490 162 V N 2.576 122.532 119.914 0.069 0.000 2.444 162 V HA 0.239 4.359 4.120 -0.001 0.000 0.294 162 V C -0.290 175.859 176.094 0.091 0.000 1.022 162 V CA -0.901 61.456 62.300 0.094 0.000 0.850 162 V CB 2.019 33.941 31.823 0.164 0.000 0.992 162 V HN 0.465 nan 8.190 nan 0.000 0.426 163 D N 2.557 123.000 120.400 0.071 0.000 2.193 163 D HA 0.633 5.273 4.640 -0.001 0.000 0.249 163 D C -0.695 175.642 176.300 0.062 0.000 1.034 163 D CA -0.042 53.996 54.000 0.064 0.000 0.902 163 D CB 2.575 43.399 40.800 0.040 0.000 1.182 163 D HN 0.340 nan 8.370 nan 0.000 0.436 164 V N 1.494 121.448 119.914 0.066 0.000 2.808 164 V HA 0.177 4.296 4.120 -0.001 0.000 0.308 164 V C -1.387 174.732 176.094 0.042 0.000 1.099 164 V CA -0.820 61.517 62.300 0.060 0.000 0.920 164 V CB 2.351 34.233 31.823 0.098 0.000 1.014 164 V HN 0.431 nan 8.190 nan 0.000 0.425 165 D N 3.889 124.267 120.400 -0.037 0.000 2.312 165 D HA 0.397 5.037 4.640 -0.001 0.000 0.252 165 D C 0.717 177.069 176.300 0.087 0.000 1.150 165 D CA 0.664 54.589 54.000 -0.125 0.000 0.870 165 D CB 1.954 42.348 40.800 -0.677 0.000 1.153 165 D HN 0.785 nan 8.370 nan 0.000 0.457 166 G N 1.475 110.339 108.800 0.106 0.000 3.453 166 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.263 166 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.263 166 G C 1.160 176.148 174.900 0.147 0.000 1.060 166 G CA 0.194 45.388 45.100 0.158 0.000 0.793 166 G HN 0.458 nan 8.290 nan 0.000 0.532 167 S N -0.703 115.089 115.700 0.152 0.000 2.527 167 S HA 0.079 4.549 4.470 -0.001 0.000 0.222 167 S C 1.712 176.438 174.600 0.210 0.000 0.985 167 S CA 0.801 59.093 58.200 0.153 0.000 0.921 167 S CB 0.339 63.605 63.200 0.111 0.000 0.772 167 S HN 0.025 nan 8.310 nan 0.000 0.529 168 V N -0.230 119.856 119.914 0.287 0.000 3.013 168 V HA 0.399 4.518 4.120 -0.001 0.000 0.238 168 V C 0.755 176.879 176.094 0.050 0.000 1.161 168 V CA 0.703 63.162 62.300 0.265 0.000 1.170 168 V CB 0.733 32.775 31.823 0.365 0.000 0.917 168 V HN 0.502 nan 8.190 nan 0.000 0.478 169 S N -0.689 114.922 115.700 -0.149 0.000 2.546 169 S HA 0.329 4.798 4.470 -0.001 0.000 0.272 169 S C 0.819 175.168 174.600 -0.419 0.000 1.140 169 S CA 0.170 58.076 58.200 -0.490 0.000 0.920 169 S CB 2.014 64.526 63.200 -1.147 0.000 1.083 169 S HN 0.394 nan 8.310 nan 0.000 0.476 170 S N 3.534 119.090 115.700 -0.239 0.000 2.522 170 S HA -0.032 4.437 4.470 -0.001 0.000 0.227 170 S C 1.328 175.832 174.600 -0.160 0.000 0.986 170 S CA 0.384 58.520 58.200 -0.105 0.000 0.929 170 S CB -0.347 62.861 63.200 0.013 0.000 0.769 170 S HN 0.785 nan 8.310 nan 0.000 0.529 171 Q N -0.023 119.581 119.800 -0.326 0.000 2.226 171 Q HA -0.034 4.305 4.340 -0.001 0.000 0.204 171 Q C 1.309 177.281 176.000 -0.047 0.000 0.975 171 Q CA 1.296 56.967 55.803 -0.221 0.000 0.866 171 Q CB -0.372 28.209 28.738 -0.262 0.000 0.915 171 Q HN 0.640 nan 8.270 nan 0.000 0.440 172 F N 0.299 120.241 119.950 -0.013 0.000 2.113 172 F HA -0.179 4.348 4.527 -0.001 0.000 0.297 172 F C 2.075 177.851 175.800 -0.040 0.000 1.103 172 F CA 0.547 58.539 58.000 -0.013 0.000 1.248 172 F CB -1.105 37.919 39.000 0.039 0.000 0.999 172 F HN 0.098 nan 8.300 nan 0.000 0.475 173 L N -0.056 121.249 121.223 0.137 0.000 2.046 173 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 173 L C 2.257 179.077 176.870 -0.082 0.000 1.077 173 L CA 2.078 56.914 54.840 -0.007 0.000 0.747 173 L CB -1.432 40.599 42.059 -0.047 0.000 0.896 173 L HN 0.127 nan 8.230 nan 0.000 0.432 174 T N -0.045 114.476 114.554 -0.055 0.000 2.665 174 T HA -0.223 4.127 4.350 -0.001 0.000 0.268 174 T C 1.883 176.545 174.700 -0.064 0.000 1.035 174 T CA 1.618 63.680 62.100 -0.062 0.000 1.151 174 T CB -0.514 68.333 68.868 -0.034 0.000 0.862 174 T HN 0.578 nan 8.240 nan 0.000 0.438 175 A N 0.837 123.634 122.820 -0.039 0.000 1.902 175 A HA 0.006 4.326 4.320 -0.001 0.000 0.217 175 A C 2.300 179.822 177.584 -0.103 0.000 1.181 175 A CA 1.238 53.239 52.037 -0.059 0.000 0.623 175 A CB -0.781 18.205 19.000 -0.023 0.000 0.818 175 A HN 0.498 nan 8.150 nan 0.000 0.443 176 L N -0.716 120.448 121.223 -0.097 0.000 2.046 176 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 176 L C 2.569 179.374 176.870 -0.110 0.000 1.077 176 L CA 1.036 55.791 54.840 -0.140 0.000 0.747 176 L CB -0.539 41.473 42.059 -0.078 0.000 0.896 176 L HN 0.370 nan 8.230 nan 0.000 0.432 177 L N -0.949 120.209 121.223 -0.108 0.000 2.042 177 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 177 L C 2.618 179.484 176.870 -0.007 0.000 1.076 177 L CA 1.459 56.250 54.840 -0.083 0.000 0.749 177 L CB -0.360 41.609 42.059 -0.150 0.000 0.893 177 L HN 0.327 nan 8.230 nan 0.000 0.432 178 M N -1.486 118.103 119.600 -0.018 0.000 2.319 178 M HA -0.125 4.355 4.480 -0.001 0.000 0.265 178 M C 2.095 178.450 176.300 0.091 0.000 1.068 178 M CA 1.485 56.809 55.300 0.041 0.000 1.118 178 M CB -0.388 32.172 32.600 -0.066 0.000 1.395 178 M HN 0.187 nan 8.290 nan 0.000 0.435 179 T N 0.506 115.044 114.554 -0.026 0.000 2.894 179 T HA 0.092 4.442 4.350 -0.001 0.000 0.258 179 T C 1.991 176.680 174.700 -0.017 0.000 1.043 179 T CA 1.161 63.220 62.100 -0.069 0.000 1.141 179 T CB -0.200 68.507 68.868 -0.268 0.000 0.873 179 T HN 0.433 nan 8.240 nan 0.000 0.449 180 A N 2.345 125.162 122.820 -0.005 0.000 1.948 180 A HA -0.067 4.252 4.320 -0.001 0.000 0.220 180 A C 0.032 177.683 177.584 0.112 0.000 1.177 180 A CA 1.475 53.599 52.037 0.146 0.000 0.636 180 A CB -1.653 17.442 19.000 0.159 0.000 0.815 180 A HN 0.368 nan 8.150 nan 0.000 0.449 181 P HA -0.109 nan 4.420 nan 0.000 0.219 181 P C 0.919 178.185 177.300 -0.057 0.000 1.146 181 P CA 0.789 63.861 63.100 -0.047 0.000 0.808 181 P CB 0.002 31.594 31.700 -0.180 0.000 0.779 182 L N -2.136 119.079 121.223 -0.014 0.000 2.592 182 L HA 0.215 4.555 4.340 -0.001 0.000 0.227 182 L C 1.135 178.051 176.870 0.077 0.000 1.127 182 L CA -0.308 54.541 54.840 0.016 0.000 0.884 182 L CB -1.276 40.808 42.059 0.043 0.000 1.065 182 L HN -0.187 nan 8.230 nan 0.000 0.457 183 A N 0.449 123.345 122.820 0.127 0.000 2.351 183 A HA 0.397 4.716 4.320 -0.001 0.000 0.257 183 A C -1.246 176.381 177.584 0.073 0.000 1.087 183 A CA -0.796 51.338 52.037 0.161 0.000 0.798 183 A CB -0.129 19.035 19.000 0.273 0.000 1.033 183 A HN 0.085 nan 8.150 nan 0.000 0.488 184 P HA -0.077 nan 4.420 nan 0.000 0.219 184 P C 0.163 177.463 177.300 -0.000 0.000 1.150 184 P CA 1.129 64.239 63.100 0.017 0.000 0.814 184 P CB 0.222 31.928 31.700 0.010 0.000 0.787 185 E N 0.135 120.324 120.200 -0.018 0.000 2.232 185 E HA 0.232 4.581 4.350 -0.001 0.000 0.265 185 E C -0.386 176.208 176.600 -0.011 0.000 1.001 185 E CA -0.986 55.398 56.400 -0.027 0.000 0.870 185 E CB 0.645 30.310 29.700 -0.059 0.000 1.175 185 E HN -0.008 nan 8.360 nan 0.000 0.407 186 D N 1.028 121.424 120.400 -0.006 0.000 2.362 186 D HA 0.162 4.802 4.640 -0.001 0.000 0.242 186 D C -0.571 175.739 176.300 0.016 0.000 1.132 186 D CA 0.434 54.441 54.000 0.013 0.000 0.907 186 D CB 0.994 41.800 40.800 0.010 0.000 1.195 186 D HN 0.163 nan 8.370 nan 0.000 0.429 187 T N 0.384 114.969 114.554 0.052 0.000 2.861 187 T HA 0.439 4.788 4.350 -0.001 0.000 0.287 187 T C -0.443 174.311 174.700 0.089 0.000 1.003 187 T CA -0.661 61.485 62.100 0.076 0.000 0.977 187 T CB 1.645 70.611 68.868 0.162 0.000 0.996 187 T HN -0.025 nan 8.240 nan 0.000 0.448 188 V N 4.345 124.309 119.914 0.083 0.000 2.350 188 V HA 0.454 4.573 4.120 -0.001 0.000 0.285 188 V C -0.308 175.859 176.094 0.121 0.000 1.014 188 V CA -0.728 61.629 62.300 0.094 0.000 0.831 188 V CB 1.046 32.906 31.823 0.062 0.000 1.000 188 V HN 0.790 nan 8.190 nan 0.000 0.433 189 I N 5.753 126.426 120.570 0.172 0.000 2.304 189 I HA 0.478 4.648 4.170 -0.001 0.000 0.291 189 I C 0.375 176.627 176.117 0.225 0.000 1.018 189 I CA -0.220 61.194 61.300 0.190 0.000 1.260 189 I CB 0.818 38.930 38.000 0.187 0.000 1.390 189 I HN 0.431 nan 8.210 nan 0.000 0.475 190 R N 7.196 127.793 120.500 0.162 0.000 2.338 190 R HA 0.444 4.783 4.340 -0.001 0.000 0.317 190 R C -0.828 175.562 176.300 0.150 0.000 0.968 190 R CA -0.818 55.370 56.100 0.147 0.000 0.849 190 R CB 1.232 31.587 30.300 0.092 0.000 1.128 190 R HN 0.465 nan 8.270 nan 0.000 0.448 191 I N 5.495 126.174 120.570 0.181 0.000 2.416 191 I HA 0.038 4.208 4.170 -0.001 0.000 0.288 191 I C 1.515 177.692 176.117 0.101 0.000 1.051 191 I CA 0.165 61.563 61.300 0.163 0.000 1.375 191 I CB 1.232 39.364 38.000 0.220 0.000 1.407 191 I HN 0.596 nan 8.210 nan 0.000 0.516 192 K N 3.851 124.290 120.400 0.066 0.000 2.026 192 K HA -0.056 4.264 4.320 -0.001 0.000 0.208 192 K C 1.284 177.905 176.600 0.035 0.000 1.048 192 K CA 1.418 57.725 56.287 0.034 0.000 0.929 192 K CB 0.171 32.668 32.500 -0.005 0.000 0.713 192 K HN 0.901 nan 8.250 nan 0.000 0.439 193 G N -0.032 108.794 108.800 0.043 0.000 3.495 193 G HA2 0.058 4.017 3.960 -0.001 0.000 0.178 193 G HA3 0.058 4.017 3.960 -0.001 0.000 0.178 193 G C -1.173 173.763 174.900 0.060 0.000 1.262 193 G CA -0.498 44.627 45.100 0.042 0.000 1.096 193 G HN -0.017 nan 8.290 nan 0.000 0.727 194 D N 0.411 120.844 120.400 0.055 0.000 2.357 194 D HA 0.475 5.115 4.640 -0.001 0.000 0.242 194 D C -0.604 175.749 176.300 0.089 0.000 1.153 194 D CA 0.132 54.172 54.000 0.066 0.000 0.918 194 D CB 2.136 42.970 40.800 0.057 0.000 1.181 194 D HN 0.205 nan 8.370 nan 0.000 0.435 195 L N 2.064 123.344 121.223 0.095 0.000 2.372 195 L HA 0.319 4.659 4.340 -0.001 0.000 0.274 195 L C -0.633 176.293 176.870 0.094 0.000 0.988 195 L CA -0.804 54.104 54.840 0.113 0.000 0.833 195 L CB 1.367 43.517 42.059 0.152 0.000 1.236 195 L HN 0.213 nan 8.230 nan 0.000 0.410 196 V N 1.717 121.689 119.914 0.096 0.000 2.997 196 V HA 0.641 4.761 4.120 -0.001 0.000 0.311 196 V C 0.821 176.979 176.094 0.107 0.000 1.066 196 V CA -0.082 62.276 62.300 0.096 0.000 1.039 196 V CB 1.168 33.051 31.823 0.101 0.000 1.081 196 V HN 0.918 nan 8.190 nan 0.000 0.467 197 S N -0.195 115.588 115.700 0.138 0.000 3.614 197 S HA -0.232 4.238 4.470 -0.001 0.000 0.360 197 S C 1.293 176.032 174.600 0.232 0.000 1.023 197 S CA 1.354 59.689 58.200 0.225 0.000 1.114 197 S CB -1.499 61.820 63.200 0.199 0.000 0.907 197 S HN 1.100 nan 8.310 nan 0.000 0.470 198 K N 1.474 121.951 120.400 0.128 0.000 2.113 198 K HA -0.155 4.165 4.320 -0.001 0.000 0.208 198 K C -1.073 175.565 176.600 0.063 0.000 1.047 198 K CA 1.870 58.195 56.287 0.064 0.000 0.928 198 K CB -0.549 31.907 32.500 -0.073 0.000 0.716 198 K HN 0.378 nan 8.250 nan 0.000 0.446 199 P HA -0.145 nan 4.420 nan 0.000 0.221 199 P C 0.310 177.556 177.300 -0.090 0.000 1.145 199 P CA 1.153 64.217 63.100 -0.060 0.000 0.795 199 P CB -0.050 31.564 31.700 -0.143 0.000 0.775 200 Y N -1.277 119.056 120.300 0.055 0.000 2.439 200 Y HA -0.102 4.447 4.550 -0.001 0.000 0.292 200 Y C 2.187 178.121 175.900 0.057 0.000 1.130 200 Y CA 0.412 58.538 58.100 0.044 0.000 1.254 200 Y CB -0.678 37.791 38.460 0.015 0.000 1.000 200 Y HN -0.082 nan 8.280 nan 0.000 0.554 201 I N -0.031 120.669 120.570 0.216 0.000 2.315 201 I HA -0.248 3.922 4.170 -0.001 0.000 0.248 201 I C 1.573 177.809 176.117 0.199 0.000 1.117 201 I CA 1.301 62.719 61.300 0.196 0.000 1.404 201 I CB -1.018 37.159 38.000 0.295 0.000 1.071 201 I HN 0.247 nan 8.210 nan 0.000 0.419 202 D N 0.847 121.369 120.400 0.204 0.000 2.178 202 D HA -0.096 4.544 4.640 -0.001 0.000 0.202 202 D C 2.379 178.746 176.300 0.111 0.000 0.974 202 D CA 0.952 55.055 54.000 0.172 0.000 0.841 202 D CB 0.014 40.901 40.800 0.145 0.000 0.953 202 D HN 0.325 nan 8.370 nan 0.000 0.478 203 I N 0.871 121.493 120.570 0.087 0.000 2.226 203 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 203 I C 2.275 178.444 176.117 0.087 0.000 1.100 203 I CA 1.039 62.389 61.300 0.082 0.000 1.374 203 I CB -0.454 37.598 38.000 0.088 0.000 1.057 203 I HN -0.027 nan 8.210 nan 0.000 0.413 204 T N 1.594 116.199 114.554 0.085 0.000 2.684 204 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 204 T C 1.959 176.693 174.700 0.056 0.000 1.036 204 T CA 1.376 63.505 62.100 0.048 0.000 1.148 204 T CB -0.374 68.511 68.868 0.028 0.000 0.863 204 T HN 0.245 nan 8.240 nan 0.000 0.436 205 L N 1.375 122.645 121.223 0.080 0.000 2.093 205 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 205 L C 2.758 179.686 176.870 0.096 0.000 1.085 205 L CA 0.903 55.797 54.840 0.090 0.000 0.755 205 L CB -0.634 41.487 42.059 0.104 0.000 0.904 205 L HN 0.290 nan 8.230 nan 0.000 0.435 206 N N 0.715 119.474 118.700 0.098 0.000 2.084 206 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 206 N C 1.866 177.447 175.510 0.119 0.000 1.030 206 N CA 1.417 54.530 53.050 0.105 0.000 0.849 206 N CB -0.002 38.549 38.487 0.107 0.000 1.012 206 N HN 0.174 nan 8.380 nan 0.000 0.423 207 L N 0.921 122.206 121.223 0.104 0.000 2.046 207 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 207 L C 2.497 179.457 176.870 0.150 0.000 1.077 207 L CA 1.086 55.984 54.840 0.098 0.000 0.747 207 L CB -0.975 41.087 42.059 0.005 0.000 0.896 207 L HN 0.294 nan 8.230 nan 0.000 0.432 208 M N -0.583 119.083 119.600 0.111 0.000 2.108 208 M HA -0.271 4.208 4.480 -0.001 0.000 0.261 208 M C 2.249 178.703 176.300 0.256 0.000 1.066 208 M CA 1.717 57.138 55.300 0.201 0.000 1.107 208 M CB -0.359 32.362 32.600 0.201 0.000 1.356 208 M HN 0.107 nan 8.290 nan 0.000 0.406 209 K N -0.259 120.243 120.400 0.170 0.000 2.097 209 K HA -0.133 4.187 4.320 -0.001 0.000 0.206 209 K C 1.744 178.414 176.600 0.117 0.000 1.049 209 K CA 1.639 58.006 56.287 0.133 0.000 0.933 209 K CB -0.043 32.514 32.500 0.095 0.000 0.717 209 K HN 0.215 nan 8.250 nan 0.000 0.442 210 T N 0.304 114.925 114.554 0.110 0.000 2.759 210 T HA -0.119 4.231 4.350 -0.001 0.000 0.269 210 T C 0.896 175.511 174.700 -0.142 0.000 1.042 210 T CA 1.247 63.341 62.100 -0.009 0.000 1.140 210 T CB -0.190 68.641 68.868 -0.062 0.000 0.864 210 T HN 0.186 nan 8.240 nan 0.000 0.455 211 F N 0.590 120.543 119.950 0.003 0.000 2.664 211 F HA 0.381 4.908 4.527 -0.001 0.000 0.301 211 F C 1.708 177.627 175.800 0.199 0.000 1.126 211 F CA -0.111 57.930 58.000 0.069 0.000 1.373 211 F CB -0.060 38.922 39.000 -0.030 0.000 1.042 211 F HN 0.263 nan 8.300 nan 0.000 0.535 212 G N 0.248 109.174 108.800 0.210 0.000 2.141 212 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.242 212 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.242 212 G C -0.334 174.636 174.900 0.117 0.000 0.982 212 G CA 0.015 45.200 45.100 0.142 0.000 0.662 212 G HN 0.165 nan 8.290 nan 0.000 0.527 213 V N 0.351 120.367 119.914 0.169 0.000 2.588 213 V HA 0.666 4.786 4.120 -0.001 0.000 0.304 213 V C -0.072 176.082 176.094 0.099 0.000 1.042 213 V CA -0.794 61.560 62.300 0.089 0.000 0.877 213 V CB 1.900 33.740 31.823 0.028 0.000 0.996 213 V HN 0.363 nan 8.190 nan 0.000 0.425 214 E N 3.451 123.684 120.200 0.055 0.000 2.299 214 E HA 0.765 5.115 4.350 -0.001 0.000 0.265 214 E C -1.238 175.389 176.600 0.045 0.000 0.911 214 E CA -0.753 55.680 56.400 0.055 0.000 0.789 214 E CB 2.972 32.695 29.700 0.038 0.000 1.246 214 E HN 0.642 nan 8.360 nan 0.000 0.427 215 I N -2.535 118.068 120.570 0.056 0.000 3.264 215 I HA 0.454 4.623 4.170 -0.001 0.000 0.315 215 I C -0.650 175.492 176.117 0.041 0.000 1.154 215 I CA -0.924 60.413 61.300 0.062 0.000 0.962 215 I CB 1.629 39.693 38.000 0.107 0.000 1.265 215 I HN 0.364 nan 8.210 nan 0.000 0.463 216 E N 2.080 122.298 120.200 0.031 0.000 2.081 216 E HA 0.251 4.600 4.350 -0.001 0.000 0.281 216 E C -1.156 175.388 176.600 -0.093 0.000 0.986 216 E CA -0.479 55.901 56.400 -0.034 0.000 0.796 216 E CB 0.582 30.259 29.700 -0.038 0.000 1.085 216 E HN 0.612 nan 8.360 nan 0.000 0.398 217 N N 4.335 122.915 118.700 -0.199 0.000 2.439 217 N HA 0.045 4.784 4.740 -0.001 0.000 0.249 217 N C -1.195 173.979 175.510 -0.560 0.000 1.003 217 N CA -0.167 52.591 53.050 -0.487 0.000 0.942 217 N CB 0.938 39.151 38.487 -0.456 0.000 1.115 217 N HN 0.465 nan 8.380 nan 0.000 0.505 218 Q N 2.901 122.347 119.800 -0.591 0.000 2.673 218 Q HA 0.151 4.490 4.340 -0.001 0.000 0.224 218 Q C -0.645 175.159 176.000 -0.328 0.000 1.226 218 Q CA -0.447 55.112 55.803 -0.407 0.000 1.019 218 Q CB -0.156 28.463 28.738 -0.197 0.000 1.312 218 Q HN 0.688 nan 8.270 nan 0.000 0.566 219 H N -0.144 118.781 119.070 -0.242 0.000 2.690 219 H HA -0.263 4.292 4.556 -0.001 0.000 0.309 219 H C -0.816 174.557 175.328 0.075 0.000 1.138 219 H CA 0.895 56.918 56.048 -0.041 0.000 1.142 219 H CB -2.236 27.530 29.762 0.008 0.000 1.410 219 H HN 0.767 nan 8.280 nan 0.000 0.409 220 Y N -3.070 117.085 120.300 -0.242 0.000 4.538 220 Y HA -0.396 4.154 4.550 -0.001 0.000 0.225 220 Y C 1.620 177.500 175.900 -0.035 0.000 1.074 220 Y CA 1.359 59.372 58.100 -0.146 0.000 1.942 220 Y CB -1.415 37.123 38.460 0.130 0.000 1.618 220 Y HN 0.557 nan 8.280 nan 0.000 0.642 221 Q N -0.265 119.514 119.800 -0.035 0.000 2.394 221 Q HA 0.138 4.477 4.340 -0.001 0.000 0.218 221 Q C 0.667 176.684 176.000 0.028 0.000 0.907 221 Q CA 0.890 56.728 55.803 0.059 0.000 0.919 221 Q CB 0.892 29.663 28.738 0.055 0.000 1.051 221 Q HN 0.699 nan 8.270 nan 0.000 0.538 222 Q N -0.633 119.060 119.800 -0.179 0.000 2.320 222 Q HA 0.432 4.772 4.340 -0.001 0.000 0.272 222 Q C -1.834 173.970 176.000 -0.327 0.000 1.023 222 Q CA -0.309 55.449 55.803 -0.075 0.000 0.855 222 Q CB 1.586 30.310 28.738 -0.023 0.000 1.367 222 Q HN -0.095 nan 8.270 nan 0.000 0.406 223 F N 1.917 121.874 119.950 0.010 0.000 2.493 223 F HA 0.517 5.044 4.527 -0.001 0.000 0.329 223 F C -0.514 175.290 175.800 0.006 0.000 1.126 223 F CA -0.845 57.150 58.000 -0.009 0.000 0.937 223 F CB 2.010 41.009 39.000 -0.001 0.000 1.146 223 F HN 0.231 nan 8.300 nan 0.000 0.442 224 V N 4.633 124.622 119.914 0.125 0.000 2.347 224 V HA 0.537 4.656 4.120 -0.001 0.000 0.280 224 V C -0.445 175.701 176.094 0.087 0.000 1.021 224 V CA -0.700 61.650 62.300 0.084 0.000 0.847 224 V CB 1.484 33.325 31.823 0.030 0.000 0.990 224 V HN 0.526 nan 8.190 nan 0.000 0.444 225 V N 5.408 125.374 119.914 0.087 0.000 2.495 225 V HA 0.437 4.557 4.120 -0.001 0.000 0.298 225 V C 0.042 176.165 176.094 0.048 0.000 1.031 225 V CA -1.116 61.228 62.300 0.072 0.000 0.871 225 V CB 1.881 33.758 31.823 0.090 0.000 0.988 225 V HN 0.770 nan 8.190 nan 0.000 0.432 226 K N 2.728 123.144 120.400 0.028 0.000 2.205 226 K HA 0.553 4.873 4.320 -0.001 0.000 0.279 226 K C 0.590 177.195 176.600 0.010 0.000 1.027 226 K CA -0.147 56.149 56.287 0.014 0.000 0.932 226 K CB 1.629 34.130 32.500 0.002 0.000 1.032 226 K HN 0.904 nan 8.250 nan 0.000 0.466 227 G N -0.191 108.616 108.800 0.013 0.000 2.557 227 G HA2 0.403 4.363 3.960 -0.001 0.000 0.292 227 G HA3 0.403 4.363 3.960 -0.001 0.000 0.292 227 G C 0.584 175.482 174.900 -0.003 0.000 1.237 227 G CA -0.111 44.998 45.100 0.014 0.000 0.978 227 G HN 0.746 nan 8.290 nan 0.000 0.498 228 G N -1.667 107.133 108.800 -0.000 0.000 2.153 228 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.252 228 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.252 228 G C 0.407 175.291 174.900 -0.026 0.000 0.994 228 G CA 0.858 45.954 45.100 -0.005 0.000 0.698 228 G HN 0.763 nan 8.290 nan 0.000 0.521 229 Q N -0.485 119.281 119.800 -0.057 0.000 2.185 229 Q HA 0.712 5.052 4.340 -0.001 0.000 0.225 229 Q C -0.202 175.727 176.000 -0.119 0.000 0.983 229 Q CA -0.200 55.543 55.803 -0.101 0.000 0.950 229 Q CB 1.382 30.028 28.738 -0.154 0.000 1.176 229 Q HN 0.247 nan 8.270 nan 0.000 0.510 230 S N -0.179 115.441 115.700 -0.134 0.000 2.547 230 S HA 0.417 4.887 4.470 -0.001 0.000 0.281 230 S C -1.521 173.043 174.600 -0.060 0.000 1.118 230 S CA -0.687 57.484 58.200 -0.048 0.000 0.947 230 S CB 0.621 63.826 63.200 0.009 0.000 1.053 230 S HN 0.324 nan 8.310 nan 0.000 0.482 231 Y N 1.891 122.294 120.300 0.172 0.000 2.304 231 Y HA 0.431 4.981 4.550 -0.001 0.000 0.327 231 Y C 0.855 176.900 175.900 0.243 0.000 1.209 231 Y CA -0.109 58.104 58.100 0.189 0.000 1.299 231 Y CB 0.664 39.221 38.460 0.161 0.000 1.249 231 Y HN 0.391 nan 8.280 nan 0.000 0.519 232 Q N 0.980 121.015 119.800 0.390 0.000 2.356 232 Q HA 0.242 4.581 4.340 -0.001 0.000 0.270 232 Q C -0.503 175.596 176.000 0.166 0.000 1.058 232 Q CA -0.835 55.114 55.803 0.243 0.000 0.802 232 Q CB 2.286 31.095 28.738 0.118 0.000 1.303 232 Q HN 0.698 nan 8.270 nan 0.000 0.444 233 S N 3.089 118.867 115.700 0.131 0.000 2.552 233 S HA 0.107 4.576 4.470 -0.001 0.000 0.289 233 S C -1.375 173.136 174.600 -0.149 0.000 1.304 233 S CA -0.573 57.630 58.200 0.005 0.000 1.063 233 S CB 0.353 63.588 63.200 0.058 0.000 0.848 233 S HN 0.407 nan 8.310 nan 0.000 0.499 234 P HA 0.258 nan 4.420 nan 0.000 0.255 234 P C 1.042 178.272 177.300 -0.116 0.000 1.248 234 P CA 0.660 63.590 63.100 -0.283 0.000 0.807 234 P CB -0.413 30.991 31.700 -0.494 0.000 1.150 235 G N 0.965 109.722 108.800 -0.072 0.000 2.596 235 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.258 235 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.258 235 G C -0.087 174.823 174.900 0.017 0.000 1.207 235 G CA 0.202 45.295 45.100 -0.011 0.000 0.954 235 G HN 0.518 nan 8.290 nan 0.000 0.551 236 T N -1.621 112.952 114.554 0.031 0.000 2.845 236 T HA 0.594 4.943 4.350 -0.001 0.000 0.288 236 T C -0.739 174.021 174.700 0.100 0.000 0.980 236 T CA 0.209 62.343 62.100 0.057 0.000 1.071 236 T CB 2.040 70.926 68.868 0.030 0.000 0.941 236 T HN 1.506 nan 8.240 nan 0.000 0.487 237 Y N 3.028 123.314 120.300 -0.024 0.000 2.386 237 Y HA 0.564 5.114 4.550 -0.001 0.000 0.334 237 Y C -1.488 174.415 175.900 0.005 0.000 1.002 237 Y CA -1.780 56.307 58.100 -0.022 0.000 1.068 237 Y CB 1.633 40.076 38.460 -0.028 0.000 1.203 237 Y HN 0.835 nan 8.280 nan 0.000 0.443 238 L N 7.353 128.239 121.223 -0.561 0.000 2.260 238 L HA 0.548 4.887 4.340 -0.001 0.000 0.289 238 L C -1.190 175.363 176.870 -0.529 0.000 1.057 238 L CA -0.399 54.206 54.840 -0.392 0.000 0.811 238 L CB 0.775 42.675 42.059 -0.265 0.000 1.184 238 L HN 0.508 nan 8.230 nan 0.000 0.429 239 V N 5.620 125.417 119.914 -0.194 0.000 2.508 239 V HA 0.130 4.250 4.120 -0.001 0.000 0.281 239 V C 0.674 176.731 176.094 -0.061 0.000 1.041 239 V CA -0.511 61.763 62.300 -0.044 0.000 1.016 239 V CB 0.420 32.282 31.823 0.065 0.000 0.984 239 V HN 0.766 nan 8.190 nan 0.000 0.478 240 E N 2.849 123.027 120.200 -0.037 0.000 2.418 240 E HA 0.233 4.583 4.350 -0.001 0.000 0.261 240 E C 0.782 177.376 176.600 -0.011 0.000 1.070 240 E CA 0.224 56.611 56.400 -0.023 0.000 0.931 240 E CB 0.580 30.283 29.700 0.006 0.000 0.954 240 E HN 0.865 nan 8.360 nan 0.000 0.439 241 G N 1.330 110.123 108.800 -0.011 0.000 2.594 241 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.243 241 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.243 241 G C -0.304 174.588 174.900 -0.013 0.000 1.229 241 G CA -0.441 44.648 45.100 -0.018 0.000 0.843 241 G HN 0.502 nan 8.290 nan 0.000 0.578 242 D N 0.988 121.364 120.400 -0.040 0.000 2.325 242 D HA 0.295 4.935 4.640 -0.001 0.000 0.251 242 D C 1.285 177.574 176.300 -0.018 0.000 1.196 242 D CA 0.073 54.054 54.000 -0.032 0.000 0.866 242 D CB 1.421 42.178 40.800 -0.073 0.000 1.101 242 D HN 0.266 nan 8.370 nan 0.000 0.476 243 A N 3.175 125.992 122.820 -0.006 0.000 2.015 243 A HA -0.108 4.212 4.320 -0.001 0.000 0.219 243 A C 2.183 179.711 177.584 -0.094 0.000 1.163 243 A CA 1.012 53.038 52.037 -0.017 0.000 0.646 243 A CB 0.050 19.056 19.000 0.010 0.000 0.806 243 A HN 0.556 nan 8.150 nan 0.000 0.448 244 S N 0.163 115.811 115.700 -0.087 0.000 2.371 244 S HA -0.091 4.379 4.470 -0.001 0.000 0.224 244 S C 2.202 176.659 174.600 -0.239 0.000 1.029 244 S CA 1.330 59.422 58.200 -0.180 0.000 0.978 244 S CB -0.265 62.901 63.200 -0.057 0.000 0.833 244 S HN 0.619 nan 8.310 nan 0.000 0.466 245 S N 1.986 117.662 115.700 -0.040 0.000 2.399 245 S HA -0.022 4.447 4.470 -0.001 0.000 0.231 245 S C 2.171 176.832 174.600 0.103 0.000 1.022 245 S CA 0.902 59.193 58.200 0.152 0.000 0.983 245 S CB -0.435 62.756 63.200 -0.014 0.000 0.803 245 S HN 0.605 nan 8.310 nan 0.000 0.480 246 A N 1.832 124.656 122.820 0.007 0.000 2.015 246 A HA -0.077 4.243 4.320 -0.001 0.000 0.219 246 A C 2.311 179.796 177.584 -0.164 0.000 1.163 246 A CA 1.656 53.746 52.037 0.088 0.000 0.646 246 A CB -0.875 18.164 19.000 0.065 0.000 0.806 246 A HN 0.618 nan 8.150 nan 0.000 0.448 247 S N -0.657 114.690 115.700 -0.589 0.000 2.383 247 S HA -0.262 4.207 4.470 -0.001 0.000 0.229 247 S C 1.818 175.947 174.600 -0.785 0.000 1.030 247 S CA 1.662 59.236 58.200 -1.045 0.000 1.002 247 S CB -0.929 61.153 63.200 -1.864 0.000 0.829 247 S HN 0.579 nan 8.310 nan 0.000 0.467 248 Y N 1.210 121.242 120.300 -0.447 0.000 2.181 248 Y HA 0.070 4.619 4.550 -0.001 0.000 0.288 248 Y C 2.152 177.886 175.900 -0.277 0.000 1.146 248 Y CA 0.733 58.586 58.100 -0.412 0.000 1.164 248 Y CB -1.023 37.098 38.460 -0.565 0.000 0.982 248 Y HN 0.264 nan 8.280 nan 0.000 0.515 249 F N -0.882 119.175 119.950 0.178 0.000 2.234 249 F HA -0.063 4.464 4.527 -0.001 0.000 0.296 249 F C 2.096 177.940 175.800 0.072 0.000 1.089 249 F CA 0.664 58.733 58.000 0.116 0.000 1.343 249 F CB -1.200 37.865 39.000 0.108 0.000 1.040 249 F HN -0.037 nan 8.300 nan 0.000 0.498 250 L N -0.291 121.061 121.223 0.216 0.000 2.056 250 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 250 L C 2.712 179.676 176.870 0.157 0.000 1.078 250 L CA 1.138 56.079 54.840 0.169 0.000 0.749 250 L CB -1.055 41.118 42.059 0.190 0.000 0.901 250 L HN 0.142 nan 8.230 nan 0.000 0.433 251 A N 0.158 123.103 122.820 0.209 0.000 1.933 251 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 251 A C 2.554 180.177 177.584 0.065 0.000 1.175 251 A CA 1.595 53.733 52.037 0.167 0.000 0.628 251 A CB -0.663 18.476 19.000 0.232 0.000 0.814 251 A HN 0.386 nan 8.150 nan 0.000 0.444 252 A N -0.059 122.805 122.820 0.074 0.000 1.940 252 A HA 0.098 4.418 4.320 -0.001 0.000 0.219 252 A C 2.475 180.056 177.584 -0.005 0.000 1.176 252 A CA 2.198 54.251 52.037 0.027 0.000 0.631 252 A CB -0.938 18.119 19.000 0.096 0.000 0.814 252 A HN 1.057 nan 8.150 nan 0.000 0.446 253 A N -0.327 122.511 122.820 0.031 0.000 1.930 253 A HA 0.235 4.555 4.320 -0.001 0.000 0.217 253 A C 2.467 180.039 177.584 -0.020 0.000 1.175 253 A CA 1.800 53.840 52.037 0.005 0.000 0.627 253 A CB -0.926 18.084 19.000 0.018 0.000 0.815 253 A HN 1.073 nan 8.150 nan 0.000 0.443 254 A N -0.290 122.521 122.820 -0.015 0.000 1.972 254 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 254 A C 2.038 179.592 177.584 -0.050 0.000 1.169 254 A CA 1.577 53.597 52.037 -0.029 0.000 0.635 254 A CB -0.498 18.485 19.000 -0.027 0.000 0.810 254 A HN 0.517 nan 8.150 nan 0.000 0.446 255 I N -2.548 117.964 120.570 -0.098 0.000 2.494 255 I HA 0.040 4.209 4.170 -0.001 0.000 0.250 255 I C 1.690 177.694 176.117 -0.188 0.000 1.112 255 I CA 1.173 62.353 61.300 -0.201 0.000 1.438 255 I CB 0.246 37.970 38.000 -0.460 0.000 1.111 255 I HN 0.066 nan 8.210 nan 0.000 0.431 256 K N 0.586 120.900 120.400 -0.144 0.000 2.644 256 K HA 0.305 4.625 4.320 -0.001 0.000 0.198 256 K C 0.111 176.679 176.600 -0.054 0.000 1.113 256 K CA -0.117 56.107 56.287 -0.104 0.000 1.073 256 K CB 0.718 33.140 32.500 -0.130 0.000 0.811 256 K HN 0.144 nan 8.250 nan 0.000 0.508 257 G N -0.608 108.168 108.800 -0.040 0.000 2.588 257 G HA2 0.537 4.496 3.960 -0.001 0.000 0.281 257 G HA3 0.537 4.496 3.960 -0.001 0.000 0.281 257 G C 0.119 175.007 174.900 -0.020 0.000 1.236 257 G CA -0.003 45.083 45.100 -0.024 0.000 0.969 257 G HN 0.433 nan 8.290 nan 0.000 0.504 258 G N -2.032 106.758 108.800 -0.017 0.000 2.814 258 G HA2 0.207 4.167 3.960 -0.001 0.000 0.677 258 G HA3 0.207 4.167 3.960 -0.001 0.000 0.677 258 G C -0.315 174.574 174.900 -0.018 0.000 1.429 258 G CA -0.024 45.065 45.100 -0.018 0.000 0.868 258 G HN 1.201 nan 8.290 nan 0.000 0.553 259 T N 0.125 114.666 114.554 -0.022 0.000 2.841 259 T HA 0.598 4.947 4.350 -0.001 0.000 0.285 259 T C -0.187 174.498 174.700 -0.026 0.000 0.991 259 T CA -0.380 61.705 62.100 -0.025 0.000 0.966 259 T CB 1.927 70.774 68.868 -0.035 0.000 0.962 259 T HN 1.033 nan 8.240 nan 0.000 0.438 260 V N 3.913 123.820 119.914 -0.012 0.000 2.448 260 V HA 0.542 4.661 4.120 -0.001 0.000 0.295 260 V C -0.043 176.046 176.094 -0.007 0.000 1.025 260 V CA -0.872 61.425 62.300 -0.004 0.000 0.859 260 V CB 1.804 33.656 31.823 0.048 0.000 0.988 260 V HN 0.732 nan 8.190 nan 0.000 0.431 261 K N 4.396 124.774 120.400 -0.036 0.000 2.244 261 K HA 0.769 5.088 4.320 -0.001 0.000 0.260 261 K C -0.962 175.635 176.600 -0.005 0.000 0.951 261 K CA -0.535 55.733 56.287 -0.032 0.000 0.826 261 K CB 2.030 34.452 32.500 -0.130 0.000 1.108 261 K HN 0.592 nan 8.250 nan 0.000 0.433 262 V N 0.443 120.388 119.914 0.052 0.000 2.513 262 V HA 0.606 4.726 4.120 -0.001 0.000 0.299 262 V C -0.264 175.882 176.094 0.086 0.000 1.035 262 V CA -0.599 61.737 62.300 0.060 0.000 0.889 262 V CB 1.082 32.972 31.823 0.112 0.000 0.988 262 V HN 0.907 nan 8.190 nan 0.000 0.440 263 T N 0.362 114.950 114.554 0.057 0.000 2.918 263 T HA 0.819 5.169 4.350 -0.001 0.000 0.286 263 T C 0.891 175.621 174.700 0.050 0.000 1.026 263 T CA 0.089 62.235 62.100 0.077 0.000 1.031 263 T CB 1.374 70.273 68.868 0.051 0.000 1.046 263 T HN 2.422 nan 8.240 nan 0.000 0.479 264 G N 1.126 109.956 108.800 0.050 0.000 2.231 264 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.206 264 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.206 264 G C -0.028 174.887 174.900 0.026 0.000 0.996 264 G CA -0.054 45.060 45.100 0.023 0.000 0.645 264 G HN 1.486 nan 8.290 nan 0.000 0.498 265 I N -2.435 118.163 120.570 0.047 0.000 2.969 265 I HA 0.957 5.127 4.170 -0.001 0.000 0.307 265 I C 0.280 176.440 176.117 0.071 0.000 1.149 265 I CA -0.722 60.611 61.300 0.056 0.000 1.008 265 I CB 2.038 40.076 38.000 0.064 0.000 1.232 265 I HN 0.674 nan 8.210 nan 0.000 0.435 266 G N 3.116 111.976 108.800 0.099 0.000 2.650 266 G HA2 0.285 4.245 3.960 -0.001 0.000 0.310 266 G HA3 0.285 4.245 3.960 -0.001 0.000 0.310 266 G C 0.068 175.105 174.900 0.228 0.000 1.270 266 G CA -0.405 44.769 45.100 0.123 0.000 0.810 266 G HN 0.906 nan 8.290 nan 0.000 0.493 267 R N -0.396 120.222 120.500 0.196 0.000 2.193 267 R HA -0.014 4.326 4.340 -0.001 0.000 0.229 267 R C 0.754 177.019 176.300 -0.059 0.000 1.110 267 R CA 1.610 57.717 56.100 0.012 0.000 0.988 267 R CB -0.214 30.021 30.300 -0.108 0.000 0.871 267 R HN 0.326 nan 8.270 nan 0.000 0.458 268 N N 0.839 119.533 118.700 -0.010 0.000 2.336 268 N HA 0.041 4.781 4.740 -0.001 0.000 0.189 268 N C -0.320 175.192 175.510 0.004 0.000 1.113 268 N CA 0.134 53.173 53.050 -0.018 0.000 0.858 268 N CB 0.522 39.001 38.487 -0.014 0.000 0.970 268 N HN 0.091 nan 8.380 nan 0.000 0.471 269 S N 1.439 117.158 115.700 0.031 0.000 2.563 269 S HA 0.013 4.482 4.470 -0.001 0.000 0.284 269 S C 1.770 176.386 174.600 0.027 0.000 1.331 269 S CA -0.166 58.058 58.200 0.039 0.000 1.047 269 S CB 0.671 63.911 63.200 0.068 0.000 0.859 269 S HN 0.345 nan 8.310 nan 0.000 0.514 270 M N 0.840 120.458 119.600 0.030 0.000 2.541 270 M HA 0.165 4.645 4.480 -0.001 0.000 0.252 270 M C 0.169 176.467 176.300 -0.002 0.000 1.125 270 M CA 0.618 55.933 55.300 0.026 0.000 1.091 270 M CB -0.186 32.445 32.600 0.051 0.000 1.420 270 M HN 0.447 nan 8.290 nan 0.000 0.486 271 Q N 1.593 121.389 119.800 -0.006 0.000 2.304 271 Q HA 0.255 4.595 4.340 -0.001 0.000 0.260 271 Q C 1.226 177.181 176.000 -0.076 0.000 0.965 271 Q CA 0.039 55.806 55.803 -0.060 0.000 0.898 271 Q CB 1.412 30.135 28.738 -0.025 0.000 1.196 271 Q HN 0.535 nan 8.270 nan 0.000 0.402 272 G N 2.583 111.269 108.800 -0.190 0.000 2.471 272 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.219 272 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.219 272 G C 0.553 175.428 174.900 -0.041 0.000 1.125 272 G CA 0.319 45.345 45.100 -0.123 0.000 0.775 272 G HN 0.577 nan 8.290 nan 0.000 0.548 273 D N 0.441 120.806 120.400 -0.060 0.000 2.378 273 D HA -0.059 4.581 4.640 -0.001 0.000 0.227 273 D C 2.549 178.912 176.300 0.105 0.000 1.012 273 D CA 0.176 54.184 54.000 0.015 0.000 0.905 273 D CB -0.124 40.660 40.800 -0.027 0.000 0.895 273 D HN 0.624 nan 8.370 nan 0.000 0.532 274 I N -2.155 118.493 120.570 0.130 0.000 2.756 274 I HA -0.080 4.089 4.170 -0.001 0.000 0.262 274 I C 1.575 177.894 176.117 0.337 0.000 1.225 274 I CA 0.649 62.097 61.300 0.247 0.000 1.472 274 I CB -0.069 38.126 38.000 0.326 0.000 1.094 274 I HN -0.206 nan 8.210 nan 0.000 0.454 275 R N 0.724 121.373 120.500 0.248 0.000 2.328 275 R HA -0.072 4.268 4.340 -0.001 0.000 0.207 275 R C 1.875 178.313 176.300 0.229 0.000 1.056 275 R CA 0.828 57.079 56.100 0.251 0.000 1.016 275 R CB -0.916 29.530 30.300 0.243 0.000 0.872 275 R HN 0.504 nan 8.270 nan 0.000 0.471 276 F N 1.650 121.637 119.950 0.062 0.000 2.216 276 F HA -0.166 4.360 4.527 -0.001 0.000 0.300 276 F C 2.143 177.959 175.800 0.026 0.000 1.085 276 F CA 1.204 59.209 58.000 0.008 0.000 1.326 276 F CB -0.127 38.841 39.000 -0.054 0.000 1.027 276 F HN 0.018 nan 8.300 nan 0.000 0.497 277 A N 0.055 122.930 122.820 0.092 0.000 1.933 277 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 277 A C 2.048 179.616 177.584 -0.027 0.000 1.175 277 A CA 1.947 53.954 52.037 -0.050 0.000 0.628 277 A CB -0.988 17.928 19.000 -0.140 0.000 0.814 277 A HN 0.517 nan 8.150 nan 0.000 0.444 278 D N -0.202 120.264 120.400 0.110 0.000 2.178 278 D HA -0.097 4.543 4.640 -0.001 0.000 0.201 278 D C 1.981 178.270 176.300 -0.017 0.000 0.980 278 D CA 1.502 55.562 54.000 0.101 0.000 0.842 278 D CB -0.088 40.800 40.800 0.145 0.000 0.948 278 D HN 0.300 nan 8.370 nan 0.000 0.472 279 V N 1.608 121.456 119.914 -0.111 0.000 2.358 279 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 279 V C 2.652 178.613 176.094 -0.223 0.000 1.047 279 V CA 0.995 63.197 62.300 -0.164 0.000 1.035 279 V CB -0.446 31.233 31.823 -0.240 0.000 0.658 279 V HN 0.185 nan 8.190 nan 0.000 0.452 280 L N -0.048 120.962 121.223 -0.356 0.000 2.083 280 L HA -0.210 4.130 4.340 -0.001 0.000 0.209 280 L C 2.607 179.401 176.870 -0.127 0.000 1.083 280 L CA 1.980 56.660 54.840 -0.267 0.000 0.752 280 L CB -0.563 41.317 42.059 -0.298 0.000 0.899 280 L HN 0.447 nan 8.230 nan 0.000 0.433 281 E N 0.758 120.907 120.200 -0.086 0.000 2.077 281 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 281 E C 2.090 178.677 176.600 -0.021 0.000 0.989 281 E CA 1.136 57.520 56.400 -0.027 0.000 0.800 281 E CB 0.152 29.866 29.700 0.025 0.000 0.746 281 E HN 0.403 nan 8.360 nan 0.000 0.452 282 K N -0.202 120.181 120.400 -0.028 0.000 2.209 282 K HA -0.091 4.229 4.320 -0.001 0.000 0.204 282 K C 2.016 178.602 176.600 -0.023 0.000 1.048 282 K CA 1.329 57.605 56.287 -0.019 0.000 0.940 282 K CB -0.053 32.437 32.500 -0.017 0.000 0.729 282 K HN 0.266 nan 8.250 nan 0.000 0.451 283 M N -0.919 118.658 119.600 -0.039 0.000 2.562 283 M HA 0.025 4.505 4.480 -0.001 0.000 0.257 283 M C 0.969 177.258 176.300 -0.017 0.000 1.099 283 M CA 0.969 56.252 55.300 -0.029 0.000 1.099 283 M CB 0.675 33.250 32.600 -0.042 0.000 1.427 283 M HN 0.459 nan 8.290 nan 0.000 0.489 284 G N -0.101 108.688 108.800 -0.019 0.000 2.227 284 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.168 284 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.168 284 G C 0.074 174.967 174.900 -0.013 0.000 1.006 284 G CA -0.211 44.883 45.100 -0.010 0.000 0.684 284 G HN 0.601 nan 8.290 nan 0.000 0.489 285 A N 0.005 122.810 122.820 -0.026 0.000 2.271 285 A HA 0.807 5.126 4.320 -0.001 0.000 0.288 285 A C 0.455 178.026 177.584 -0.021 0.000 1.094 285 A CA 0.635 52.656 52.037 -0.028 0.000 0.828 285 A CB 0.660 19.633 19.000 -0.046 0.000 1.091 285 A HN 0.615 nan 8.150 nan 0.000 0.493 286 T N 2.046 116.589 114.554 -0.019 0.000 2.795 286 T HA 0.519 4.869 4.350 -0.001 0.000 0.282 286 T C -0.324 174.358 174.700 -0.030 0.000 0.980 286 T CA -0.045 62.049 62.100 -0.009 0.000 1.012 286 T CB 0.339 69.207 68.868 -0.001 0.000 0.936 286 T HN 0.362 nan 8.240 nan 0.000 0.457 287 I N 2.110 122.662 120.570 -0.030 0.000 2.474 287 I HA 0.422 4.592 4.170 -0.001 0.000 0.294 287 I C -0.008 176.054 176.117 -0.091 0.000 1.005 287 I CA -0.789 60.440 61.300 -0.119 0.000 1.113 287 I CB 1.584 39.475 38.000 -0.181 0.000 1.289 287 I HN 0.671 nan 8.210 nan 0.000 0.436 288 C N 6.544 125.758 119.300 -0.143 0.000 2.455 288 C HA 0.686 5.146 4.460 -0.001 0.000 0.320 288 C C -1.097 173.809 174.990 -0.139 0.000 1.226 288 C CA -0.462 58.560 59.018 0.006 0.000 1.569 288 C CB 0.542 28.373 27.740 0.151 0.000 2.200 288 C HN 0.764 nan 8.230 nan 0.000 0.491 289 W N 4.112 125.392 121.300 -0.033 0.000 2.573 289 W HA 0.636 5.296 4.660 -0.001 0.000 0.326 289 W C 0.438 176.670 176.519 -0.478 0.000 1.049 289 W CA 0.014 57.233 57.345 -0.209 0.000 1.220 289 W CB 1.861 31.247 29.460 -0.125 0.000 1.373 289 W HN 1.057 nan 8.180 nan 0.000 0.507 290 G N 0.800 109.183 108.800 -0.695 0.000 3.042 290 G HA2 0.201 4.161 3.960 -0.001 0.000 0.278 290 G HA3 0.201 4.161 3.960 -0.001 0.000 0.278 290 G C -0.609 174.081 174.900 -0.349 0.000 1.371 290 G CA -0.462 44.106 45.100 -0.888 0.000 1.009 290 G HN 0.410 nan 8.290 nan 0.000 0.523 291 D N -1.621 118.669 120.400 -0.183 0.000 2.149 291 D HA -0.022 4.617 4.640 -0.001 0.000 0.201 291 D C 0.794 177.074 176.300 -0.034 0.000 0.972 291 D CA 1.126 55.089 54.000 -0.062 0.000 0.835 291 D CB 0.405 41.197 40.800 -0.013 0.000 0.966 291 D HN 0.279 nan 8.370 nan 0.000 0.476 292 D N -1.561 118.832 120.400 -0.011 0.000 2.599 292 D HA 0.107 4.747 4.640 -0.001 0.000 0.249 292 D C -1.240 175.140 176.300 0.134 0.000 1.313 292 D CA -0.422 53.611 54.000 0.055 0.000 0.815 292 D CB 0.161 41.005 40.800 0.074 0.000 1.077 292 D HN 0.262 nan 8.370 nan 0.000 0.492 293 Y N -1.676 118.651 120.300 0.044 0.000 2.638 293 Y HA 0.633 5.182 4.550 -0.001 0.000 0.335 293 Y C -1.692 174.206 175.900 -0.003 0.000 1.155 293 Y CA -1.485 56.623 58.100 0.014 0.000 1.046 293 Y CB 0.978 39.435 38.460 -0.004 0.000 1.303 293 Y HN -0.223 nan 8.280 nan 0.000 0.460 294 I N 2.768 123.424 120.570 0.144 0.000 2.619 294 I HA 0.619 4.789 4.170 -0.001 0.000 0.292 294 I C -0.878 175.272 176.117 0.055 0.000 1.100 294 I CA -0.823 60.416 61.300 -0.103 0.000 1.043 294 I CB 2.504 40.302 38.000 -0.336 0.000 1.239 294 I HN 0.839 nan 8.210 nan 0.000 0.420 295 S N 4.287 119.993 115.700 0.010 0.000 2.568 295 S HA 0.711 5.181 4.470 -0.001 0.000 0.293 295 S C -1.080 173.476 174.600 -0.073 0.000 1.089 295 S CA -0.708 57.494 58.200 0.003 0.000 0.945 295 S CB 2.114 65.328 63.200 0.024 0.000 1.077 295 S HN 0.764 nan 8.310 nan 0.000 0.485 296 C N 2.231 121.506 119.300 -0.042 0.000 2.498 296 C HA 0.852 5.311 4.460 -0.001 0.000 0.316 296 C C -0.414 174.561 174.990 -0.025 0.000 1.209 296 C CA 0.111 59.103 59.018 -0.045 0.000 1.518 296 C CB 0.582 28.306 27.740 -0.027 0.000 2.147 296 C HN 1.004 nan 8.230 nan 0.000 0.483 297 T N 4.368 118.906 114.554 -0.025 0.000 2.841 297 T HA 0.440 4.790 4.350 -0.001 0.000 0.283 297 T C -0.440 174.249 174.700 -0.018 0.000 1.000 297 T CA -0.425 61.664 62.100 -0.018 0.000 0.977 297 T CB 1.212 70.072 68.868 -0.014 0.000 0.979 297 T HN 0.815 nan 8.240 nan 0.000 0.446 298 R N 1.739 122.229 120.500 -0.017 0.000 2.538 298 R HA 0.405 4.744 4.340 -0.001 0.000 0.282 298 R C 0.787 177.080 176.300 -0.011 0.000 1.009 298 R CA 0.794 56.883 56.100 -0.017 0.000 1.063 298 R CB -0.280 30.009 30.300 -0.019 0.000 0.945 298 R HN 0.837 nan 8.270 nan 0.000 0.414 299 G N 3.412 112.206 108.800 -0.010 0.000 2.710 299 G HA2 0.226 4.186 3.960 -0.001 0.000 0.198 299 G HA3 0.226 4.186 3.960 -0.001 0.000 0.198 299 G C -0.820 174.080 174.900 -0.000 0.000 1.797 299 G CA 0.154 45.252 45.100 -0.004 0.000 0.759 299 G HN 0.698 nan 8.290 nan 0.000 0.808 300 E N -1.249 118.952 120.200 0.001 0.000 2.431 300 E HA 0.728 5.078 4.350 -0.001 0.000 0.268 300 E C -2.010 174.596 176.600 0.009 0.000 0.953 300 E CA -0.930 55.476 56.400 0.009 0.000 0.810 300 E CB 2.513 32.219 29.700 0.011 0.000 1.369 300 E HN 0.253 nan 8.360 nan 0.000 0.440 301 L N 1.778 123.015 121.223 0.022 0.000 2.504 301 L HA 0.429 4.769 4.340 -0.001 0.000 0.265 301 L C -1.763 175.125 176.870 0.031 0.000 0.975 301 L CA -0.313 54.544 54.840 0.027 0.000 0.864 301 L CB 1.383 43.472 42.059 0.050 0.000 1.212 301 L HN 0.496 nan 8.230 nan 0.000 0.416 302 N N 2.807 121.518 118.700 0.018 0.000 2.370 302 N HA 0.687 5.426 4.740 -0.001 0.000 0.303 302 N C -0.286 175.232 175.510 0.013 0.000 1.103 302 N CA -0.486 52.574 53.050 0.016 0.000 0.848 302 N CB 2.256 40.748 38.487 0.009 0.000 1.235 302 N HN 0.647 nan 8.380 nan 0.000 0.496 303 A N 1.219 124.048 122.820 0.015 0.000 2.466 303 A HA 0.428 4.748 4.320 -0.001 0.000 0.238 303 A C 0.248 177.836 177.584 0.006 0.000 1.074 303 A CA 0.124 52.169 52.037 0.013 0.000 0.774 303 A CB -0.302 18.706 19.000 0.013 0.000 1.015 303 A HN 0.668 nan 8.150 nan 0.000 0.498 304 I N -2.034 118.540 120.570 0.006 0.000 3.042 304 I HA 0.730 4.900 4.170 -0.001 0.000 0.310 304 I C -0.967 175.152 176.117 0.003 0.000 1.117 304 I CA -0.927 60.373 61.300 0.001 0.000 1.003 304 I CB 2.366 40.364 38.000 -0.003 0.000 1.228 304 I HN 0.378 nan 8.210 nan 0.000 0.443 305 D N 4.199 124.597 120.400 -0.003 0.000 2.421 305 D HA 0.614 5.254 4.640 -0.001 0.000 0.254 305 D C -1.383 174.913 176.300 -0.007 0.000 1.238 305 D CA -0.100 53.895 54.000 -0.010 0.000 0.919 305 D CB 0.963 41.750 40.800 -0.022 0.000 1.152 305 D HN 0.696 nan 8.370 nan 0.000 0.552 306 M N 1.433 121.035 119.600 0.003 0.000 2.531 306 M HA 0.223 4.703 4.480 -0.001 0.000 0.286 306 M C -0.851 175.467 176.300 0.029 0.000 1.232 306 M CA -1.021 54.292 55.300 0.021 0.000 0.877 306 M CB 2.595 35.225 32.600 0.050 0.000 1.726 306 M HN 0.124 nan 8.290 nan 0.000 0.463 307 D N 2.790 123.216 120.400 0.044 0.000 2.343 307 D HA 0.182 4.822 4.640 -0.001 0.000 0.255 307 D C -0.213 176.179 176.300 0.153 0.000 1.187 307 D CA 0.157 54.192 54.000 0.059 0.000 0.875 307 D CB 0.939 41.765 40.800 0.043 0.000 1.136 307 D HN 0.480 nan 8.370 nan 0.000 0.469 308 M N 3.412 123.070 119.600 0.096 0.000 2.484 308 M HA 0.025 4.505 4.480 -0.001 0.000 0.307 308 M C 1.334 177.667 176.300 0.056 0.000 1.149 308 M CA -0.240 55.100 55.300 0.067 0.000 0.972 308 M CB -0.707 31.894 32.600 0.001 0.000 1.400 308 M HN 0.469 nan 8.290 nan 0.000 0.508 309 N N 1.517 120.306 118.700 0.148 0.000 2.348 309 N HA -0.199 4.540 4.740 -0.001 0.000 0.185 309 N C 1.452 177.064 175.510 0.171 0.000 1.019 309 N CA 1.223 54.353 53.050 0.133 0.000 0.880 309 N CB 0.077 38.637 38.487 0.121 0.000 0.965 309 N HN 0.537 nan 8.380 nan 0.000 0.437 310 H N 0.090 119.198 119.070 0.064 0.000 2.548 310 H HA 0.042 4.597 4.556 -0.001 0.000 0.268 310 H C 1.033 176.413 175.328 0.086 0.000 0.975 310 H CA 0.390 56.473 56.048 0.058 0.000 1.195 310 H CB -0.213 29.561 29.762 0.021 0.000 1.397 310 H HN 0.339 nan 8.280 nan 0.000 0.572 311 I N -1.549 118.840 120.570 -0.302 0.000 2.908 311 I HA 0.285 4.454 4.170 -0.001 0.000 0.319 311 I C -2.322 173.816 176.117 0.037 0.000 1.471 311 I CA -2.003 59.212 61.300 -0.141 0.000 0.809 311 I CB 1.780 39.633 38.000 -0.246 0.000 2.186 311 I HN -0.264 nan 8.210 nan 0.000 0.607 312 P HA -0.149 nan 4.420 nan 0.000 0.216 312 P C 0.477 177.960 177.300 0.304 0.000 1.150 312 P CA 1.485 64.767 63.100 0.303 0.000 0.837 312 P CB 0.446 32.314 31.700 0.281 0.000 0.786 313 D N 0.374 120.851 120.400 0.129 0.000 2.106 313 D HA -0.015 4.625 4.640 -0.001 0.000 0.203 313 D C 2.266 178.514 176.300 -0.088 0.000 0.977 313 D CA 1.548 55.535 54.000 -0.021 0.000 0.844 313 D CB -1.114 39.684 40.800 -0.004 0.000 1.002 313 D HN 0.072 nan 8.370 nan 0.000 0.461 314 A N 0.984 123.744 122.820 -0.100 0.000 2.070 314 A HA -0.009 4.311 4.320 -0.001 0.000 0.220 314 A C 2.205 179.760 177.584 -0.048 0.000 1.159 314 A CA 1.832 53.701 52.037 -0.281 0.000 0.656 314 A CB -0.642 18.161 19.000 -0.329 0.000 0.800 314 A HN 0.215 nan 8.150 nan 0.000 0.453 315 A N -0.271 122.636 122.820 0.146 0.000 2.024 315 A HA -0.147 4.172 4.320 -0.001 0.000 0.220 315 A C 2.137 179.923 177.584 0.338 0.000 1.164 315 A CA 1.710 53.919 52.037 0.288 0.000 0.643 315 A CB -0.584 18.614 19.000 0.331 0.000 0.806 315 A HN 0.570 nan 8.150 nan 0.000 0.451 316 M N -0.764 118.942 119.600 0.178 0.000 2.213 316 M HA -0.124 4.355 4.480 -0.001 0.000 0.263 316 M C 2.010 178.318 176.300 0.013 0.000 1.062 316 M CA 1.814 57.104 55.300 -0.017 0.000 1.105 316 M CB -0.710 31.648 32.600 -0.402 0.000 1.385 316 M HN 0.402 nan 8.290 nan 0.000 0.417 317 T N 0.955 115.498 114.554 -0.017 0.000 2.867 317 T HA -0.041 4.308 4.350 -0.001 0.000 0.268 317 T C 1.768 176.561 174.700 0.155 0.000 1.057 317 T CA 0.887 62.986 62.100 -0.003 0.000 1.136 317 T CB -0.099 68.587 68.868 -0.304 0.000 0.874 317 T HN 0.228 nan 8.240 nan 0.000 0.466 318 I N 1.715 122.439 120.570 0.258 0.000 2.394 318 I HA -0.042 4.128 4.170 -0.001 0.000 0.251 318 I C 2.873 179.067 176.117 0.129 0.000 1.136 318 I CA 0.695 62.113 61.300 0.197 0.000 1.425 318 I CB -1.600 36.501 38.000 0.168 0.000 1.079 318 I HN 0.183 nan 8.210 nan 0.000 0.425 319 A N 1.211 124.115 122.820 0.140 0.000 1.940 319 A HA -0.215 4.105 4.320 -0.001 0.000 0.219 319 A C 2.410 179.990 177.584 -0.007 0.000 1.176 319 A CA 2.601 54.699 52.037 0.102 0.000 0.631 319 A CB -1.005 18.109 19.000 0.190 0.000 0.814 319 A HN 0.541 nan 8.150 nan 0.000 0.446 320 T N -2.923 111.578 114.554 -0.088 0.000 3.009 320 T HA 0.315 4.665 4.350 -0.001 0.000 0.258 320 T C 1.935 176.663 174.700 0.047 0.000 1.063 320 T CA 1.084 63.080 62.100 -0.172 0.000 1.139 320 T CB -0.359 68.262 68.868 -0.411 0.000 0.890 320 T HN 0.509 nan 8.240 nan 0.000 0.471 321 A N 1.868 124.760 122.820 0.120 0.000 2.019 321 A HA 0.337 4.657 4.320 -0.001 0.000 0.219 321 A C 2.720 180.433 177.584 0.214 0.000 1.164 321 A CA 1.564 53.739 52.037 0.229 0.000 0.644 321 A CB -1.280 17.814 19.000 0.157 0.000 0.805 321 A HN 0.716 nan 8.150 nan 0.000 0.449 322 A N -0.165 122.716 122.820 0.101 0.000 2.076 322 A HA -0.049 4.271 4.320 -0.001 0.000 0.220 322 A C 1.988 179.572 177.584 0.001 0.000 1.160 322 A CA 1.359 53.429 52.037 0.055 0.000 0.653 322 A CB -0.598 18.424 19.000 0.037 0.000 0.801 322 A HN 0.511 nan 8.150 nan 0.000 0.455 323 L N -2.277 118.899 121.223 -0.078 0.000 2.265 323 L HA -0.115 4.225 4.340 -0.001 0.000 0.215 323 L C 1.532 178.137 176.870 -0.442 0.000 1.117 323 L CA 0.928 55.584 54.840 -0.307 0.000 0.782 323 L CB -0.332 41.417 42.059 -0.517 0.000 0.914 323 L HN 0.456 nan 8.230 nan 0.000 0.441 324 F N -0.598 119.354 119.950 0.003 0.000 2.678 324 F HA 0.330 4.857 4.527 -0.001 0.000 0.305 324 F C 1.288 177.092 175.800 0.007 0.000 1.090 324 F CA -0.428 57.576 58.000 0.008 0.000 1.272 324 F CB -0.031 38.974 39.000 0.010 0.000 1.060 324 F HN -0.122 nan 8.300 nan 0.000 0.576 325 A N 0.848 123.745 122.820 0.129 0.000 2.279 325 A HA 0.405 4.724 4.320 -0.001 0.000 0.303 325 A C 0.037 177.649 177.584 0.047 0.000 1.108 325 A CA -0.627 51.459 52.037 0.083 0.000 0.830 325 A CB 0.510 19.547 19.000 0.061 0.000 1.106 325 A HN 0.165 nan 8.150 nan 0.000 0.493 326 K N 0.942 121.365 120.400 0.038 0.000 2.284 326 K HA 0.488 4.808 4.320 -0.001 0.000 0.287 326 K C 0.349 176.959 176.600 0.017 0.000 1.081 326 K CA 0.825 57.127 56.287 0.025 0.000 0.910 326 K CB -0.077 32.438 32.500 0.024 0.000 1.088 326 K HN 1.705 nan 8.250 nan 0.000 0.478 327 G N 1.937 110.745 108.800 0.012 0.000 2.498 327 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.651 327 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.651 327 G C -0.954 173.951 174.900 0.009 0.000 1.284 327 G CA -0.937 44.168 45.100 0.009 0.000 0.950 327 G HN 0.486 nan 8.290 nan 0.000 0.511 328 T N 1.480 116.039 114.554 0.009 0.000 2.767 328 T HA 0.623 4.973 4.350 -0.001 0.000 0.288 328 T C 0.374 175.083 174.700 0.014 0.000 0.963 328 T CA 0.326 62.433 62.100 0.012 0.000 1.019 328 T CB 1.251 70.127 68.868 0.013 0.000 0.923 328 T HN 0.702 nan 8.240 nan 0.000 0.468 329 T N 3.597 118.164 114.554 0.021 0.000 2.837 329 T HA 0.522 4.872 4.350 -0.001 0.000 0.285 329 T C 0.006 174.725 174.700 0.032 0.000 0.984 329 T CA -0.444 61.670 62.100 0.024 0.000 1.049 329 T CB 0.959 69.845 68.868 0.031 0.000 0.947 329 T HN 0.513 nan 8.240 nan 0.000 0.472 330 T N 4.077 118.645 114.554 0.023 0.000 2.841 330 T HA 0.534 4.884 4.350 -0.001 0.000 0.285 330 T C -0.618 174.091 174.700 0.016 0.000 0.991 330 T CA -0.624 61.493 62.100 0.029 0.000 0.966 330 T CB 0.642 69.507 68.868 -0.004 0.000 0.962 330 T HN 0.332 nan 8.240 nan 0.000 0.438 331 L N 3.859 125.091 121.223 0.015 0.000 2.305 331 L HA 0.622 4.961 4.340 -0.001 0.000 0.284 331 L C 0.329 177.168 176.870 -0.051 0.000 1.013 331 L CA -0.856 53.963 54.840 -0.035 0.000 0.819 331 L CB 1.480 43.490 42.059 -0.082 0.000 1.227 331 L HN 0.384 nan 8.230 nan 0.000 0.417 332 R N 1.731 122.206 120.500 -0.041 0.000 2.873 332 R HA 0.377 4.716 4.340 -0.001 0.000 0.264 332 R C 0.009 176.285 176.300 -0.039 0.000 1.026 332 R CA -1.077 55.014 56.100 -0.015 0.000 1.002 332 R CB 0.968 31.251 30.300 -0.028 0.000 1.174 332 R HN 0.590 nan 8.270 nan 0.000 0.488 333 N N 1.290 119.988 118.700 -0.003 0.000 2.738 333 N HA -0.151 4.589 4.740 -0.001 0.000 0.249 333 N C -0.561 174.921 175.510 -0.047 0.000 1.047 333 N CA 0.694 53.749 53.050 0.008 0.000 0.707 333 N CB -0.836 37.668 38.487 0.029 0.000 0.937 333 N HN 0.630 nan 8.380 nan 0.000 0.545 334 I N -3.248 117.222 120.570 -0.166 0.000 3.424 334 I HA 0.218 4.388 4.170 -0.001 0.000 0.339 334 I C 1.384 177.336 176.117 -0.276 0.000 1.549 334 I CA -0.899 60.186 61.300 -0.357 0.000 1.049 334 I CB -0.231 37.184 38.000 -0.975 0.000 1.439 334 I HN 0.076 nan 8.210 nan 0.000 0.500 335 Y N 4.079 124.280 120.300 -0.164 0.000 2.151 335 Y HA -0.329 4.220 4.550 -0.000 0.000 0.284 335 Y C 2.316 178.198 175.900 -0.029 0.000 1.166 335 Y CA 2.494 60.510 58.100 -0.139 0.000 1.163 335 Y CB -0.176 38.231 38.460 -0.088 0.000 0.974 335 Y HN 0.644 nan 8.280 nan 0.000 0.511 336 N N -1.036 117.604 118.700 -0.100 0.000 2.571 336 N HA -0.196 4.544 4.740 -0.001 0.000 0.189 336 N C 1.100 176.596 175.510 -0.023 0.000 1.154 336 N CA 0.965 53.931 53.050 -0.138 0.000 0.907 336 N CB -1.315 37.202 38.487 0.050 0.000 0.977 336 N HN 0.406 nan 8.380 nan 0.000 0.449 337 W N 1.579 122.738 121.300 -0.234 0.000 2.364 337 W HA 0.051 4.711 4.660 -0.001 0.000 0.281 337 W C 1.934 178.316 176.519 -0.229 0.000 1.219 337 W CA 0.580 57.814 57.345 -0.184 0.000 1.220 337 W CB -0.293 29.075 29.460 -0.152 0.000 1.127 337 W HN 0.214 nan 8.180 nan 0.000 0.556 338 R N -0.164 120.250 120.500 -0.143 0.000 2.235 338 R HA -0.048 4.292 4.340 -0.001 0.000 0.213 338 R C 1.314 177.529 176.300 -0.142 0.000 1.059 338 R CA 1.434 57.413 56.100 -0.201 0.000 0.997 338 R CB -0.479 29.575 30.300 -0.410 0.000 0.884 338 R HN 0.195 nan 8.270 nan 0.000 0.462 339 V N -2.528 117.305 119.914 -0.135 0.000 3.085 339 V HA 0.293 4.413 4.120 -0.001 0.000 0.345 339 V C 0.436 176.518 176.094 -0.021 0.000 1.397 339 V CA -0.362 61.913 62.300 -0.042 0.000 1.165 339 V CB -0.086 31.739 31.823 0.003 0.000 1.153 339 V HN -0.017 nan 8.190 nan 0.000 0.495 340 K N 0.365 120.741 120.400 -0.040 0.000 2.385 340 K HA 0.465 4.784 4.320 -0.001 0.000 0.274 340 K C 1.144 177.729 176.600 -0.025 0.000 0.981 340 K CA -0.160 56.103 56.287 -0.040 0.000 1.400 340 K CB 0.411 32.869 32.500 -0.069 0.000 2.019 340 K HN 0.033 nan 8.250 nan 0.000 0.855 341 E N 0.322 120.511 120.200 -0.018 0.000 2.171 341 E HA -0.139 4.210 4.350 -0.001 0.000 0.197 341 E C 0.483 177.094 176.600 0.020 0.000 0.997 341 E CA 1.271 57.681 56.400 0.017 0.000 0.810 341 E CB 0.090 29.832 29.700 0.070 0.000 0.738 341 E HN 0.301 nan 8.360 nan 0.000 0.467 342 T N -1.627 112.920 114.554 -0.012 0.000 2.731 342 T HA 0.111 4.461 4.350 -0.001 0.000 0.300 342 T C -1.935 172.742 174.700 -0.037 0.000 1.283 342 T CA -0.897 61.206 62.100 0.006 0.000 1.005 342 T CB 1.284 70.178 68.868 0.044 0.000 1.420 342 T HN -0.111 nan 8.240 nan 0.000 0.503 343 D N 1.153 121.544 120.400 -0.015 0.000 2.359 343 D HA 0.228 4.867 4.640 -0.001 0.000 0.250 343 D C 1.125 177.410 176.300 -0.027 0.000 1.264 343 D CA -0.050 53.944 54.000 -0.010 0.000 0.911 343 D CB 0.620 41.432 40.800 0.019 0.000 1.056 343 D HN 0.420 nan 8.370 nan 0.000 0.499 344 R N 2.680 123.148 120.500 -0.054 0.000 2.189 344 R HA 0.017 4.356 4.340 -0.001 0.000 0.218 344 R C 1.956 178.320 176.300 0.107 0.000 1.074 344 R CA 0.549 56.572 56.100 -0.129 0.000 0.991 344 R CB 0.224 30.273 30.300 -0.417 0.000 0.883 344 R HN 0.464 nan 8.270 nan 0.000 0.457 345 L N -0.582 120.801 121.223 0.265 0.000 2.072 345 L HA -0.132 4.208 4.340 -0.001 0.000 0.205 345 L C 2.141 179.075 176.870 0.106 0.000 1.079 345 L CA 1.010 56.002 54.840 0.254 0.000 0.752 345 L CB -0.301 41.816 42.059 0.096 0.000 0.906 345 L HN 0.135 nan 8.230 nan 0.000 0.436 346 F N 0.668 120.593 119.950 -0.041 0.000 2.113 346 F HA -0.189 4.338 4.527 -0.001 0.000 0.297 346 F C 2.376 178.093 175.800 -0.139 0.000 1.103 346 F CA 1.292 59.253 58.000 -0.065 0.000 1.248 346 F CB -0.293 38.673 39.000 -0.056 0.000 0.999 346 F HN -0.013 nan 8.300 nan 0.000 0.475 347 A N 0.282 122.900 122.820 -0.336 0.000 1.873 347 A HA -0.184 4.136 4.320 -0.001 0.000 0.215 347 A C 2.193 179.502 177.584 -0.458 0.000 1.186 347 A CA 1.892 53.461 52.037 -0.780 0.000 0.616 347 A CB -0.937 17.304 19.000 -1.265 0.000 0.823 347 A HN 0.512 nan 8.150 nan 0.000 0.442 348 M N 0.350 119.823 119.600 -0.212 0.000 2.117 348 M HA -0.010 4.469 4.480 -0.001 0.000 0.262 348 M C 2.126 178.437 176.300 0.019 0.000 1.065 348 M CA 1.740 57.049 55.300 0.015 0.000 1.114 348 M CB -0.682 31.995 32.600 0.127 0.000 1.361 348 M HN 0.364 nan 8.290 nan 0.000 0.408 349 A N -1.218 121.563 122.820 -0.065 0.000 1.902 349 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 349 A C 2.203 179.697 177.584 -0.150 0.000 1.181 349 A CA 2.296 54.286 52.037 -0.078 0.000 0.623 349 A CB -1.410 17.534 19.000 -0.094 0.000 0.818 349 A HN 0.567 nan 8.150 nan 0.000 0.443 350 T N 0.091 114.448 114.554 -0.327 0.000 2.708 350 T HA -0.114 4.236 4.350 -0.001 0.000 0.266 350 T C 1.799 176.385 174.700 -0.190 0.000 1.037 350 T CA 1.575 63.480 62.100 -0.325 0.000 1.146 350 T CB -0.222 68.324 68.868 -0.536 0.000 0.865 350 T HN 0.485 nan 8.240 nan 0.000 0.435 351 E N 1.032 121.107 120.200 -0.209 0.000 2.152 351 E HA 0.090 4.439 4.350 -0.001 0.000 0.192 351 E C 2.337 178.892 176.600 -0.076 0.000 0.983 351 E CA 0.425 56.642 56.400 -0.304 0.000 0.818 351 E CB -0.460 28.758 29.700 -0.803 0.000 0.758 351 E HN 0.449 nan 8.360 nan 0.000 0.467 352 L N 0.468 121.786 121.223 0.158 0.000 2.083 352 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 352 L C 2.577 179.492 176.870 0.075 0.000 1.083 352 L CA 1.124 56.102 54.840 0.230 0.000 0.752 352 L CB -0.262 41.895 42.059 0.165 0.000 0.899 352 L HN 0.037 nan 8.230 nan 0.000 0.433 353 R N 0.043 120.550 120.500 0.011 0.000 2.120 353 R HA -0.156 4.184 4.340 -0.001 0.000 0.234 353 R C 2.196 178.486 176.300 -0.016 0.000 1.123 353 R CA 1.041 57.135 56.100 -0.010 0.000 0.975 353 R CB -0.157 30.125 30.300 -0.029 0.000 0.866 353 R HN 0.326 nan 8.270 nan 0.000 0.446 354 K N 0.365 120.743 120.400 -0.036 0.000 2.209 354 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 354 K C 1.727 178.305 176.600 -0.037 0.000 1.048 354 K CA 1.328 57.584 56.287 -0.051 0.000 0.940 354 K CB 0.169 32.606 32.500 -0.104 0.000 0.729 354 K HN 0.167 nan 8.250 nan 0.000 0.451 355 V N -3.832 116.078 119.914 -0.007 0.000 3.647 355 V HA 0.387 4.507 4.120 -0.001 0.000 0.279 355 V C 0.933 177.022 176.094 -0.008 0.000 1.314 355 V CA 0.481 62.779 62.300 -0.003 0.000 1.125 355 V CB 0.061 31.902 31.823 0.030 0.000 0.907 355 V HN 0.362 nan 8.190 nan 0.000 0.434 356 G N -0.453 108.343 108.800 -0.006 0.000 2.211 356 G HA2 0.015 3.974 3.960 -0.001 0.000 0.201 356 G HA3 0.015 3.974 3.960 -0.001 0.000 0.201 356 G C 0.391 175.283 174.900 -0.014 0.000 0.997 356 G CA 0.025 45.118 45.100 -0.010 0.000 0.652 356 G HN 1.446 nan 8.290 nan 0.000 0.500 357 A N 0.213 123.025 122.820 -0.013 0.000 2.351 357 A HA 0.649 4.968 4.320 -0.001 0.000 0.257 357 A C 0.362 177.945 177.584 -0.002 0.000 1.087 357 A CA 0.552 52.581 52.037 -0.013 0.000 0.798 357 A CB 0.543 19.537 19.000 -0.010 0.000 1.033 357 A HN 0.597 nan 8.150 nan 0.000 0.488 358 E N 1.120 121.320 120.200 0.001 0.000 2.146 358 E HA 0.516 4.866 4.350 -0.001 0.000 0.282 358 E C -1.466 175.142 176.600 0.014 0.000 0.989 358 E CA -0.366 56.038 56.400 0.008 0.000 0.799 358 E CB 0.873 30.579 29.700 0.010 0.000 1.088 358 E HN 0.360 nan 8.360 nan 0.000 0.397 359 V N 4.442 124.365 119.914 0.015 0.000 2.638 359 V HA 0.249 4.369 4.120 -0.001 0.000 0.306 359 V C -0.510 175.596 176.094 0.021 0.000 1.052 359 V CA -0.867 61.445 62.300 0.020 0.000 0.885 359 V CB 1.761 33.591 31.823 0.013 0.000 0.999 359 V HN 0.755 nan 8.190 nan 0.000 0.424 360 E N 3.475 123.698 120.200 0.038 0.000 2.109 360 E HA 0.274 4.624 4.350 -0.001 0.000 0.278 360 E C -0.451 176.132 176.600 -0.029 0.000 0.954 360 E CA -0.417 56.004 56.400 0.036 0.000 0.779 360 E CB 1.116 30.880 29.700 0.107 0.000 1.093 360 E HN 0.786 nan 8.360 nan 0.000 0.401 361 E N 4.126 124.287 120.200 -0.066 0.000 1.941 361 E HA 0.238 4.587 4.350 -0.001 0.000 0.275 361 E C -0.254 176.181 176.600 -0.276 0.000 1.113 361 E CA -0.430 55.892 56.400 -0.130 0.000 0.878 361 E CB 0.483 30.157 29.700 -0.043 0.000 1.070 361 E HN 0.668 nan 8.360 nan 0.000 0.399 362 G N 2.120 110.503 108.800 -0.695 0.000 2.599 362 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.264 362 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.264 362 G C 0.509 175.097 174.900 -0.519 0.000 1.200 362 G CA -0.268 44.130 45.100 -1.170 0.000 0.896 362 G HN 0.780 nan 8.290 nan 0.000 0.536 363 H N -0.398 118.492 119.070 -0.299 0.000 2.387 363 H HA -0.098 4.457 4.556 -0.001 0.000 0.299 363 H C 1.043 176.387 175.328 0.026 0.000 1.090 363 H CA 2.214 58.234 56.048 -0.047 0.000 1.332 363 H CB 0.397 30.191 29.762 0.053 0.000 1.386 363 H HN 0.509 nan 8.280 nan 0.000 0.516 364 D N -1.840 118.498 120.400 -0.102 0.000 2.692 364 D HA 0.088 4.728 4.640 -0.001 0.000 0.290 364 D C -0.627 175.664 176.300 -0.016 0.000 1.455 364 D CA -0.503 53.463 54.000 -0.058 0.000 0.796 364 D CB -0.997 39.868 40.800 0.109 0.000 1.131 364 D HN 0.500 nan 8.370 nan 0.000 0.467 365 Y N -1.804 118.417 120.300 -0.131 0.000 2.670 365 Y HA 0.694 5.244 4.550 -0.001 0.000 0.334 365 Y C -1.969 173.846 175.900 -0.142 0.000 1.185 365 Y CA -1.768 56.230 58.100 -0.170 0.000 1.053 365 Y CB 1.339 39.745 38.460 -0.091 0.000 1.298 365 Y HN -0.069 nan 8.280 nan 0.000 0.459 366 I N 1.994 122.576 120.570 0.020 0.000 2.656 366 I HA 0.578 4.747 4.170 -0.001 0.000 0.292 366 I C -1.497 174.705 176.117 0.142 0.000 1.144 366 I CA -1.033 60.268 61.300 0.001 0.000 1.038 366 I CB 1.915 39.893 38.000 -0.036 0.000 1.244 366 I HN 0.893 nan 8.210 nan 0.000 0.420 367 R N 7.868 128.457 120.500 0.147 0.000 2.480 367 R HA 0.700 5.040 4.340 -0.001 0.000 0.306 367 R C -1.900 174.444 176.300 0.074 0.000 0.958 367 R CA -0.521 55.655 56.100 0.127 0.000 0.861 367 R CB 1.347 31.746 30.300 0.164 0.000 1.171 367 R HN 0.626 nan 8.270 nan 0.000 0.445 368 I N 3.384 123.986 120.570 0.054 0.000 2.418 368 I HA 0.268 4.438 4.170 -0.001 0.000 0.287 368 I C -0.571 175.558 176.117 0.021 0.000 1.008 368 I CA -0.630 60.691 61.300 0.035 0.000 1.104 368 I CB 2.459 40.480 38.000 0.035 0.000 1.264 368 I HN 0.533 nan 8.210 nan 0.000 0.438 369 T N 7.347 121.909 114.554 0.013 0.000 2.788 369 T HA 0.366 4.715 4.350 -0.001 0.000 0.296 369 T C -2.456 172.237 174.700 -0.011 0.000 1.009 369 T CA -1.332 60.770 62.100 0.004 0.000 0.949 369 T CB 1.169 70.042 68.868 0.009 0.000 0.946 369 T HN 0.317 nan 8.240 nan 0.000 0.453 370 P HA 0.274 nan 4.420 nan 0.000 0.272 370 P C -2.561 174.712 177.300 -0.045 0.000 1.223 370 P CA -1.388 61.679 63.100 -0.054 0.000 0.784 370 P CB -0.038 31.616 31.700 -0.078 0.000 0.923 371 P HA 0.192 nan 4.420 nan 0.000 0.278 371 P C 0.733 178.011 177.300 -0.038 0.000 1.266 371 P CA -0.201 62.876 63.100 -0.038 0.000 0.807 371 P CB 1.075 32.752 31.700 -0.038 0.000 1.094 372 E N 0.453 120.642 120.200 -0.019 0.000 2.110 372 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 372 E C 0.651 177.244 176.600 -0.012 0.000 0.988 372 E CA 1.590 57.984 56.400 -0.010 0.000 0.804 372 E CB -0.135 29.565 29.700 0.000 0.000 0.745 372 E HN 0.596 nan 8.360 nan 0.000 0.458 373 K N -0.468 119.924 120.400 -0.014 0.000 2.523 373 K HA 0.441 4.761 4.320 -0.001 0.000 0.257 373 K C -0.698 175.890 176.600 -0.021 0.000 0.932 373 K CA -0.625 55.656 56.287 -0.010 0.000 0.812 373 K CB 1.502 34.010 32.500 0.013 0.000 1.326 373 K HN -0.198 nan 8.250 nan 0.000 0.433 374 L N 2.638 123.842 121.223 -0.033 0.000 2.453 374 L HA 0.281 4.620 4.340 -0.001 0.000 0.261 374 L C 0.336 177.219 176.870 0.022 0.000 1.179 374 L CA -0.568 54.253 54.840 -0.031 0.000 0.813 374 L CB 0.460 42.483 42.059 -0.059 0.000 1.110 374 L HN 0.864 nan 8.230 nan 0.000 0.466 375 N N 0.621 119.340 118.700 0.031 0.000 2.381 375 N HA 0.290 5.029 4.740 -0.001 0.000 0.294 375 N C -0.941 174.628 175.510 0.098 0.000 1.216 375 N CA -0.742 52.355 53.050 0.077 0.000 0.803 375 N CB 1.903 40.432 38.487 0.069 0.000 1.372 375 N HN 0.329 nan 8.380 nan 0.000 0.500 376 F N 0.829 120.792 119.950 0.022 0.000 2.518 376 F HA 0.438 4.965 4.527 -0.001 0.000 0.359 376 F C -0.192 175.619 175.800 0.018 0.000 1.118 376 F CA 0.016 58.031 58.000 0.025 0.000 1.287 376 F CB 0.377 39.387 39.000 0.017 0.000 1.132 376 F HN 0.732 nan 8.300 nan 0.000 0.587 377 A N 4.829 127.003 122.820 -1.077 0.000 2.587 377 A HA 0.438 4.757 4.320 -0.001 0.000 0.293 377 A C -1.291 175.673 177.584 -1.033 0.000 1.087 377 A CA -0.846 50.721 52.037 -0.782 0.000 0.692 377 A CB 1.212 20.014 19.000 -0.330 0.000 1.291 377 A HN 0.770 nan 8.150 nan 0.000 0.407 378 E N 1.915 121.815 120.200 -0.500 0.000 2.081 378 E HA 0.423 4.773 4.350 -0.001 0.000 0.281 378 E C -0.881 175.578 176.600 -0.234 0.000 0.986 378 E CA -0.529 55.710 56.400 -0.269 0.000 0.796 378 E CB 0.402 30.072 29.700 -0.051 0.000 1.085 378 E HN 0.473 nan 8.360 nan 0.000 0.398 379 I N 3.613 124.040 120.570 -0.239 0.000 2.371 379 I HA 0.230 4.399 4.170 -0.001 0.000 0.290 379 I C 0.607 176.599 176.117 -0.208 0.000 1.028 379 I CA -0.419 60.716 61.300 -0.275 0.000 1.345 379 I CB 0.615 38.421 38.000 -0.323 0.000 1.407 379 I HN 0.531 nan 8.210 nan 0.000 0.501 380 A N 4.694 127.384 122.820 -0.216 0.000 2.354 380 A HA 0.503 4.823 4.320 -0.001 0.000 0.269 380 A C 0.939 178.456 177.584 -0.112 0.000 1.109 380 A CA -0.199 51.693 52.037 -0.240 0.000 0.800 380 A CB 0.219 18.967 19.000 -0.420 0.000 1.045 380 A HN 0.845 nan 8.150 nan 0.000 0.489 381 T N -2.063 112.442 114.554 -0.082 0.000 3.044 381 T HA 0.219 4.568 4.350 -0.001 0.000 0.260 381 T C 0.113 174.972 174.700 0.264 0.000 1.019 381 T CA 0.447 62.619 62.100 0.121 0.000 0.921 381 T CB -0.658 68.241 68.868 0.053 0.000 1.053 381 T HN 0.826 nan 8.240 nan 0.000 0.533 382 Y N 2.418 122.700 120.300 -0.030 0.000 3.721 382 Y HA -0.275 4.274 4.550 -0.001 0.000 0.218 382 Y C 0.541 176.443 175.900 0.004 0.000 1.188 382 Y CA 0.374 58.470 58.100 -0.007 0.000 1.607 382 Y CB -3.056 35.403 38.460 -0.002 0.000 1.496 382 Y HN 0.365 nan 8.280 nan 0.000 0.626 383 N N -0.295 118.469 118.700 0.107 0.000 2.721 383 N HA -0.213 4.527 4.740 -0.001 0.000 0.249 383 N C -0.722 174.857 175.510 0.115 0.000 1.072 383 N CA 1.580 54.683 53.050 0.089 0.000 0.710 383 N CB -0.565 37.964 38.487 0.071 0.000 0.993 383 N HN 0.679 nan 8.380 nan 0.000 0.547 384 D N -0.617 119.863 120.400 0.133 0.000 2.440 384 D HA 0.161 4.800 4.640 -0.001 0.000 0.252 384 D C 1.415 177.786 176.300 0.119 0.000 1.180 384 D CA -0.585 53.501 54.000 0.143 0.000 0.894 384 D CB 0.320 41.154 40.800 0.057 0.000 1.111 384 D HN 0.425 nan 8.370 nan 0.000 0.544 385 H N 2.607 121.651 119.070 -0.043 0.000 2.362 385 H HA -0.173 4.383 4.556 -0.001 0.000 0.294 385 H C 1.273 176.490 175.328 -0.184 0.000 1.113 385 H CA 1.245 57.239 56.048 -0.091 0.000 1.253 385 H CB 0.126 29.849 29.762 -0.066 0.000 1.363 385 H HN 0.214 nan 8.280 nan 0.000 0.494 386 R N -0.161 119.973 120.500 -0.609 0.000 2.189 386 R HA -0.012 4.328 4.340 -0.001 0.000 0.218 386 R C 2.126 178.253 176.300 -0.289 0.000 1.074 386 R CA 1.012 56.802 56.100 -0.517 0.000 0.991 386 R CB 0.000 29.972 30.300 -0.547 0.000 0.883 386 R HN 0.408 nan 8.270 nan 0.000 0.457 387 M N 0.181 119.687 119.600 -0.156 0.000 2.132 387 M HA -0.052 4.427 4.480 -0.001 0.000 0.263 387 M C 2.409 178.759 176.300 0.083 0.000 1.065 387 M CA 1.391 56.706 55.300 0.025 0.000 1.122 387 M CB -0.862 31.764 32.600 0.044 0.000 1.365 387 M HN 0.134 nan 8.290 nan 0.000 0.411 388 A N 0.119 122.925 122.820 -0.022 0.000 1.877 388 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 388 A C 2.226 179.704 177.584 -0.176 0.000 1.186 388 A CA 1.581 53.629 52.037 0.019 0.000 0.620 388 A CB -0.538 18.506 19.000 0.074 0.000 0.822 388 A HN 0.477 nan 8.150 nan 0.000 0.443 389 M N -1.188 118.034 119.600 -0.630 0.000 2.132 389 M HA -0.150 4.330 4.480 -0.001 0.000 0.263 389 M C 2.386 178.221 176.300 -0.774 0.000 1.065 389 M CA 1.172 55.687 55.300 -1.309 0.000 1.122 389 M CB -0.644 30.537 32.600 -2.365 0.000 1.365 389 M HN 0.537 nan 8.290 nan 0.000 0.411 390 C N -0.153 118.903 119.300 -0.407 0.000 2.429 390 C HA -0.143 4.317 4.460 -0.001 0.000 0.277 390 C C 2.431 177.272 174.990 -0.248 0.000 1.262 390 C CA 0.768 59.673 59.018 -0.189 0.000 1.733 390 C CB -1.077 26.550 27.740 -0.188 0.000 2.010 390 C HN 0.441 nan 8.230 nan 0.000 0.483 391 F N 1.887 121.800 119.950 -0.062 0.000 2.661 391 F HA -0.058 4.469 4.527 -0.001 0.000 0.298 391 F C 2.568 178.406 175.800 0.063 0.000 1.137 391 F CA 1.123 59.127 58.000 0.006 0.000 1.454 391 F CB -0.378 38.613 39.000 -0.015 0.000 1.103 391 F HN 0.270 nan 8.300 nan 0.000 0.577 392 S N 0.190 115.991 115.700 0.168 0.000 2.419 392 S HA -0.175 4.295 4.470 -0.001 0.000 0.233 392 S C 1.850 176.560 174.600 0.183 0.000 1.016 392 S CA 0.912 59.263 58.200 0.251 0.000 0.974 392 S CB -0.852 62.559 63.200 0.353 0.000 0.786 392 S HN 0.476 nan 8.310 nan 0.000 0.492 393 L N 1.095 122.389 121.223 0.119 0.000 2.362 393 L HA 0.016 4.355 4.340 -0.001 0.000 0.219 393 L C 2.374 179.389 176.870 0.240 0.000 1.134 393 L CA 0.381 55.297 54.840 0.127 0.000 0.807 393 L CB -0.700 41.421 42.059 0.103 0.000 0.927 393 L HN 0.247 nan 8.230 nan 0.000 0.447 394 V N 0.556 120.612 119.914 0.237 0.000 2.594 394 V HA -0.268 3.851 4.120 -0.001 0.000 0.253 394 V C 2.626 178.897 176.094 0.296 0.000 1.069 394 V CA 1.695 64.170 62.300 0.292 0.000 1.082 394 V CB -0.734 31.202 31.823 0.189 0.000 0.680 394 V HN 0.523 nan 8.190 nan 0.000 0.469 395 A N -0.533 122.413 122.820 0.210 0.000 2.248 395 A HA 0.039 4.359 4.320 -0.001 0.000 0.210 395 A C 1.846 179.511 177.584 0.136 0.000 1.174 395 A CA 0.766 52.903 52.037 0.166 0.000 0.750 395 A CB -0.496 18.588 19.000 0.139 0.000 0.780 395 A HN 0.566 nan 8.150 nan 0.000 0.478 396 L N 0.646 121.938 121.223 0.116 0.000 2.645 396 L HA 0.046 4.386 4.340 -0.001 0.000 0.235 396 L C 1.319 178.230 176.870 0.067 0.000 1.150 396 L CA 0.205 55.023 54.840 -0.037 0.000 0.911 396 L CB -0.499 41.364 42.059 -0.327 0.000 1.077 396 L HN 0.544 nan 8.230 nan 0.000 0.438 397 S N -2.651 113.213 115.700 0.272 0.000 2.667 397 S HA 0.265 4.734 4.470 -0.001 0.000 0.292 397 S C 0.582 175.287 174.600 0.175 0.000 1.108 397 S CA -0.738 57.657 58.200 0.325 0.000 0.992 397 S CB 0.990 64.403 63.200 0.356 0.000 1.269 397 S HN 0.017 nan 8.310 nan 0.000 0.528 398 D N 0.590 121.078 120.400 0.146 0.000 2.349 398 D HA 0.168 4.807 4.640 -0.001 0.000 0.224 398 D C 0.334 176.697 176.300 0.106 0.000 1.029 398 D CA 0.675 54.738 54.000 0.104 0.000 0.879 398 D CB 0.184 41.034 40.800 0.083 0.000 0.906 398 D HN 0.500 nan 8.370 nan 0.000 0.528 399 T N 1.220 115.852 114.554 0.130 0.000 2.888 399 T HA 0.403 4.753 4.350 -0.001 0.000 0.284 399 T C -2.693 172.112 174.700 0.176 0.000 1.017 399 T CA -2.271 59.919 62.100 0.150 0.000 1.022 399 T CB 2.170 71.135 68.868 0.162 0.000 1.013 399 T HN -0.222 nan 8.240 nan 0.000 0.465 400 P HA 0.450 nan 4.420 nan 0.000 0.277 400 P C -1.172 176.296 177.300 0.280 0.000 1.271 400 P CA -0.513 62.724 63.100 0.228 0.000 0.795 400 P CB 0.956 32.788 31.700 0.221 0.000 1.101 401 V N -0.469 119.559 119.914 0.191 0.000 2.888 401 V HA 0.431 4.551 4.120 -0.001 0.000 0.309 401 V C -1.000 175.119 176.094 0.042 0.000 1.114 401 V CA -0.344 61.961 62.300 0.008 0.000 0.940 401 V CB 2.395 34.234 31.823 0.027 0.000 1.021 401 V HN 0.541 nan 8.190 nan 0.000 0.426 402 T N 7.461 121.955 114.554 -0.099 0.000 2.771 402 T HA 0.598 4.947 4.350 -0.001 0.000 0.281 402 T C -0.580 174.077 174.700 -0.071 0.000 0.982 402 T CA -0.246 61.857 62.100 0.005 0.000 0.978 402 T CB 0.833 69.794 68.868 0.155 0.000 0.930 402 T HN 0.445 nan 8.240 nan 0.000 0.447 403 I N 4.489 125.026 120.570 -0.055 0.000 2.330 403 I HA 0.338 4.508 4.170 -0.001 0.000 0.289 403 I C 0.247 176.328 176.117 -0.060 0.000 1.001 403 I CA -0.740 60.533 61.300 -0.045 0.000 1.193 403 I CB 1.077 39.079 38.000 0.002 0.000 1.345 403 I HN 0.490 nan 8.210 nan 0.000 0.461 404 L N 5.182 126.370 121.223 -0.059 0.000 2.417 404 L HA 0.154 4.493 4.340 -0.001 0.000 0.268 404 L C 0.695 177.547 176.870 -0.031 0.000 1.158 404 L CA -0.103 54.704 54.840 -0.055 0.000 0.819 404 L CB 0.091 42.104 42.059 -0.077 0.000 1.112 404 L HN 0.620 nan 8.230 nan 0.000 0.458 405 D N 1.671 122.056 120.400 -0.025 0.000 2.697 405 D HA -0.134 4.505 4.640 -0.001 0.000 0.235 405 D C -1.349 174.973 176.300 0.037 0.000 1.167 405 D CA 0.301 54.301 54.000 0.001 0.000 0.656 405 D CB 0.029 40.829 40.800 0.001 0.000 1.025 405 D HN 0.364 nan 8.370 nan 0.000 0.419 406 P HA -0.199 nan 4.420 nan 0.000 0.221 406 P C 1.086 178.510 177.300 0.206 0.000 1.145 406 P CA 0.784 63.954 63.100 0.117 0.000 0.795 406 P CB 0.181 31.805 31.700 -0.126 0.000 0.775 407 K N 0.114 120.584 120.400 0.116 0.000 2.515 407 K HA -0.050 4.269 4.320 -0.001 0.000 0.196 407 K C 2.076 178.740 176.600 0.108 0.000 1.038 407 K CA 0.917 57.274 56.287 0.116 0.000 0.967 407 K CB -1.352 31.192 32.500 0.074 0.000 0.780 407 K HN 0.387 nan 8.250 nan 0.000 0.483 408 C N 0.444 119.807 119.300 0.104 0.000 2.422 408 C HA -0.033 4.427 4.460 -0.001 0.000 0.286 408 C C 2.562 177.617 174.990 0.108 0.000 1.412 408 C CA 0.844 59.918 59.018 0.093 0.000 1.786 408 C CB -1.730 26.064 27.740 0.089 0.000 1.835 408 C HN 0.492 nan 8.230 nan 0.000 0.533 409 T N -0.857 113.767 114.554 0.116 0.000 3.007 409 T HA 0.055 4.405 4.350 -0.001 0.000 0.270 409 T C 1.856 176.626 174.700 0.116 0.000 1.107 409 T CA 1.351 63.502 62.100 0.084 0.000 1.118 409 T CB -0.569 68.278 68.868 -0.034 0.000 0.889 409 T HN 0.787 nan 8.240 nan 0.000 0.506 410 A N 1.571 124.451 122.820 0.100 0.000 2.178 410 A HA -0.003 4.316 4.320 -0.001 0.000 0.218 410 A C 2.325 179.923 177.584 0.023 0.000 1.157 410 A CA 1.546 53.633 52.037 0.083 0.000 0.689 410 A CB -0.761 18.280 19.000 0.068 0.000 0.787 410 A HN 0.617 nan 8.150 nan 0.000 0.465 411 K N -0.451 119.921 120.400 -0.047 0.000 2.103 411 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 411 K C 1.542 178.035 176.600 -0.179 0.000 1.048 411 K CA 1.967 58.141 56.287 -0.189 0.000 0.930 411 K CB -0.049 32.157 32.500 -0.489 0.000 0.716 411 K HN 0.650 nan 8.250 nan 0.000 0.444 412 T N -4.017 110.492 114.554 -0.075 0.000 3.080 412 T HA 0.159 4.509 4.350 -0.001 0.000 0.280 412 T C -0.142 174.666 174.700 0.181 0.000 0.926 412 T CA -0.617 61.510 62.100 0.045 0.000 0.883 412 T CB 0.444 69.392 68.868 0.133 0.000 1.194 412 T HN 0.037 nan 8.240 nan 0.000 0.541 413 F N 1.899 121.881 119.950 0.054 0.000 3.020 413 F HA 0.466 4.992 4.527 -0.001 0.000 0.389 413 F C -2.816 173.041 175.800 0.094 0.000 1.265 413 F CA -2.949 55.106 58.000 0.092 0.000 1.195 413 F CB 1.660 40.732 39.000 0.120 0.000 2.250 413 F HN -0.197 nan 8.300 nan 0.000 0.627 414 P HA -0.135 nan 4.420 nan 0.000 0.216 414 P C 0.629 178.051 177.300 0.204 0.000 1.153 414 P CA 1.639 64.870 63.100 0.219 0.000 0.858 414 P CB 0.358 32.154 31.700 0.159 0.000 0.789 415 D N -2.793 117.778 120.400 0.285 0.000 2.336 415 D HA -0.014 4.626 4.640 -0.001 0.000 0.228 415 D C 1.308 177.544 176.300 -0.106 0.000 1.120 415 D CA -0.180 53.913 54.000 0.155 0.000 0.839 415 D CB -0.817 40.113 40.800 0.216 0.000 0.932 415 D HN 0.175 nan 8.370 nan 0.000 0.509 416 Y N 0.819 120.753 120.300 -0.609 0.000 2.069 416 Y HA -0.337 4.213 4.550 -0.001 0.000 0.278 416 Y C 1.574 177.100 175.900 -0.623 0.000 1.175 416 Y CA 1.760 59.145 58.100 -1.193 0.000 1.134 416 Y CB -0.448 37.215 38.460 -1.328 0.000 0.965 416 Y HN -0.081 nan 8.280 nan 0.000 0.498 417 F N 0.541 120.286 119.950 -0.341 0.000 2.216 417 F HA -0.146 4.380 4.527 -0.001 0.000 0.300 417 F C 2.632 178.279 175.800 -0.255 0.000 1.085 417 F CA 1.766 59.578 58.000 -0.314 0.000 1.326 417 F CB -0.662 38.292 39.000 -0.078 0.000 1.027 417 F HN 0.167 nan 8.300 nan 0.000 0.497 418 E N 0.353 120.536 120.200 -0.029 0.000 2.106 418 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 418 E C 1.963 178.497 176.600 -0.109 0.000 0.984 418 E CA 0.970 57.349 56.400 -0.035 0.000 0.806 418 E CB -0.031 29.669 29.700 0.002 0.000 0.750 418 E HN 0.392 nan 8.360 nan 0.000 0.458 419 Q N 0.364 120.052 119.800 -0.188 0.000 2.119 419 Q HA -0.127 4.212 4.340 -0.001 0.000 0.201 419 Q C 2.363 178.193 176.000 -0.282 0.000 0.972 419 Q CA 0.690 56.352 55.803 -0.236 0.000 0.847 419 Q CB -0.470 28.165 28.738 -0.172 0.000 0.903 419 Q HN 0.266 nan 8.270 nan 0.000 0.433 420 L N 0.845 121.899 121.223 -0.282 0.000 2.046 420 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 420 L C 2.136 178.962 176.870 -0.072 0.000 1.077 420 L CA 2.091 56.860 54.840 -0.118 0.000 0.747 420 L CB -0.827 41.048 42.059 -0.307 0.000 0.896 420 L HN 0.117 nan 8.230 nan 0.000 0.432 421 A N -0.457 122.319 122.820 -0.074 0.000 1.972 421 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 421 A C 2.518 180.073 177.584 -0.049 0.000 1.169 421 A CA 1.690 53.708 52.037 -0.032 0.000 0.635 421 A CB -0.681 18.311 19.000 -0.013 0.000 0.810 421 A HN 0.528 nan 8.150 nan 0.000 0.446 422 R N 0.274 120.724 120.500 -0.083 0.000 2.105 422 R HA -0.123 4.217 4.340 -0.001 0.000 0.239 422 R C 1.743 177.994 176.300 -0.083 0.000 1.135 422 R CA 1.926 57.973 56.100 -0.088 0.000 0.967 422 R CB -0.419 29.807 30.300 -0.123 0.000 0.861 422 R HN 0.735 nan 8.270 nan 0.000 0.442 423 I N -2.129 118.387 120.570 -0.090 0.000 3.883 423 I HA 0.235 4.405 4.170 -0.001 0.000 0.326 423 I C -0.321 175.781 176.117 -0.025 0.000 1.283 423 I CA -0.263 61.000 61.300 -0.061 0.000 1.161 423 I CB 0.724 38.686 38.000 -0.064 0.000 1.012 423 I HN -0.158 nan 8.210 nan 0.000 0.421 424 S N 2.771 118.461 115.700 -0.018 0.000 2.499 424 S HA 0.375 4.845 4.470 -0.001 0.000 0.275 424 S C -0.105 174.491 174.600 -0.007 0.000 1.257 424 S CA -0.489 57.710 58.200 -0.002 0.000 1.050 424 S CB 0.669 63.874 63.200 0.009 0.000 0.937 424 S HN 0.313 nan 8.310 nan 0.000 0.490 425 Q N 1.222 121.019 119.800 -0.005 0.000 2.387 425 Q HA 0.570 4.909 4.340 -0.001 0.000 0.273 425 Q C 0.366 176.365 176.000 -0.001 0.000 1.089 425 Q CA -0.738 55.061 55.803 -0.007 0.000 0.824 425 Q CB 1.786 30.517 28.738 -0.011 0.000 1.367 425 Q HN 0.639 nan 8.270 nan 0.000 0.443 426 A N 0.162 122.981 122.820 -0.001 0.000 2.147 426 A HA 0.519 4.839 4.320 -0.001 0.000 0.211 426 A C 0.609 178.194 177.584 0.002 0.000 1.160 426 A CA 1.183 53.221 52.037 0.003 0.000 0.781 426 A CB 0.273 19.274 19.000 0.003 0.000 0.842 426 A HN 0.653 nan 8.150 nan 0.000 0.475 427 A N 0.000 122.819 122.820 -0.001 0.000 2.254 427 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 427 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486