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 3ee6_1_A DATA FIRST_RESID 20 DATA SEQUENCE SYSPEPDQRR TLPPGWVSLG RADPEEELSL TFALRQQNVE RLSELVQAVS DATA SEQUENCE DPSSPQYGKY LTLENVADLV RPSPLTLHTV QKWLLAAGAQ KcHSVITQDF DATA SEQUENCE LTcWLSIRQA ELLLPGAEFH HYVGGPTETH VVRSPHPYQL PQALAPHVDF DATA SEQUENCE VGGLHRFPPT SXXXXXXXXX XXXXXXXHLG VTPSVIRKRY NLTSQDVGSG DATA SEQUENCE TSNNSQACAQ FLEQYFHDSD LAQFMRLFGG NFAHQASVAR VVGQQGRGRA DATA SEQUENCE GIEASLDVQY LMSAGANIST WVYSSPGRHE GQEPFLQWLM LLSNESALPH DATA SEQUENCE VHTVSYGDDE DSLSSAYIQR VNTELMKAAA RGLTLLFASG DSGAGcWSVS DATA SEQUENCE GRHQFRPTFP ASSPYVTTVG GTSFQEPFLI TNEIVDYISG GGFSNVFPRP DATA SEQUENCE SYQEEAVTKF LSSSPHLPPS SYFNASGRAY PDVAALSDGY WVVSNRVPIP DATA SEQUENCE WVSGTSASTP VFGGILSLIN EHRILSGRPP LGFLNPRLYQ QHGAGLFDVT DATA SEQUENCE RGcHEScLDE EVEGQGFcSG PGWDPVTGWG TPNFPALLKT LLNPR 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.687 174.600 0.145 0.000 1.055 20 S CA 0.000 58.258 58.200 0.097 0.000 1.107 20 S CB 0.000 63.242 63.200 0.071 0.000 0.593 21 Y N 3.268 123.567 120.300 -0.002 0.000 2.406 21 Y HA 0.690 5.240 4.550 0.000 0.000 0.340 21 Y C -0.422 175.457 175.900 -0.035 0.000 0.975 21 Y CA -0.646 57.441 58.100 -0.021 0.000 1.056 21 Y CB 2.088 40.531 38.460 -0.028 0.000 1.210 21 Y HN 0.524 nan 8.280 nan 0.000 0.448 22 S N 8.086 123.339 115.700 -0.745 0.000 2.434 22 S HA 0.376 4.846 4.470 0.000 0.000 0.318 22 S C -2.038 171.953 174.600 -1.015 0.000 1.062 22 S CA -1.540 56.235 58.200 -0.709 0.000 1.116 22 S CB 0.673 63.617 63.200 -0.427 0.000 0.977 22 S HN 0.652 nan 8.310 nan 0.000 0.480 23 P HA 0.152 nan 4.420 nan 0.000 0.235 23 P C -0.166 177.013 177.300 -0.201 0.000 1.177 23 P CA 0.526 63.380 63.100 -0.410 0.000 0.785 23 P CB 0.219 31.931 31.700 0.020 0.000 0.885 24 E N 0.341 120.365 120.200 -0.293 0.000 4.129 24 E HA 0.151 4.501 4.350 0.000 0.000 0.222 24 E C -1.916 174.567 176.600 -0.195 0.000 1.179 24 E CA -1.241 55.064 56.400 -0.158 0.000 1.334 24 E CB 0.966 30.654 29.700 -0.020 0.000 1.202 24 E HN 0.271 nan 8.360 nan 0.000 0.428 25 P HA -0.091 nan 4.420 nan 0.000 0.233 25 P C 0.338 177.557 177.300 -0.136 0.000 1.167 25 P CA 0.903 63.898 63.100 -0.175 0.000 0.770 25 P CB 0.275 31.879 31.700 -0.159 0.000 0.837 26 D N -1.262 119.068 120.400 -0.116 0.000 2.424 26 D HA 0.069 4.709 4.640 0.000 0.000 0.220 26 D C 0.394 176.631 176.300 -0.104 0.000 1.150 26 D CA -0.230 53.715 54.000 -0.092 0.000 0.831 26 D CB -0.308 40.451 40.800 -0.068 0.000 0.981 26 D HN 0.086 nan 8.370 nan 0.000 0.500 27 Q N 1.618 121.336 119.800 -0.135 0.000 2.278 27 Q HA 0.218 4.558 4.340 0.000 0.000 0.257 27 Q C -0.367 175.515 176.000 -0.197 0.000 0.928 27 Q CA -0.611 55.100 55.803 -0.154 0.000 0.932 27 Q CB 1.189 29.859 28.738 -0.113 0.000 1.221 27 Q HN 0.077 nan 8.270 nan 0.000 0.434 28 R N 3.496 123.903 120.500 -0.155 0.000 2.484 28 R HA 0.078 4.418 4.340 0.000 0.000 0.293 28 R C 0.002 176.206 176.300 -0.160 0.000 1.023 28 R CA 0.505 56.521 56.100 -0.140 0.000 1.037 28 R CB 0.450 30.682 30.300 -0.112 0.000 0.951 28 R HN 0.786 nan 8.270 nan 0.000 0.418 29 R N 1.463 121.859 120.500 -0.173 0.000 2.437 29 R HA 0.057 4.397 4.340 0.000 0.000 0.257 29 R C 0.095 176.350 176.300 -0.074 0.000 0.927 29 R CA 0.279 56.276 56.100 -0.171 0.000 1.078 29 R CB 0.752 30.895 30.300 -0.262 0.000 1.161 29 R HN 0.697 nan 8.270 nan 0.000 0.529 30 T N -0.286 114.211 114.554 -0.095 0.000 2.918 30 T HA 0.182 4.532 4.350 0.000 0.000 0.302 30 T C 0.228 174.795 174.700 -0.220 0.000 1.045 30 T CA -0.709 61.316 62.100 -0.124 0.000 1.114 30 T CB 1.168 69.972 68.868 -0.107 0.000 0.965 30 T HN -0.098 nan 8.240 nan 0.000 0.540 31 L N 4.340 125.380 121.223 -0.306 0.000 2.462 31 L HA 0.375 4.715 4.340 0.000 0.000 0.272 31 L C -2.131 174.446 176.870 -0.488 0.000 1.166 31 L CA -1.425 53.059 54.840 -0.593 0.000 0.880 31 L CB -0.281 41.529 42.059 -0.414 0.000 1.142 31 L HN 0.593 nan 8.230 nan 0.000 0.473 32 P HA 0.418 nan 4.420 nan 0.000 0.276 32 P C -2.732 174.538 177.300 -0.050 0.000 1.261 32 P CA -1.493 61.438 63.100 -0.282 0.000 0.800 32 P CB -0.192 31.361 31.700 -0.246 0.000 1.066 33 P HA 0.221 nan 4.420 nan 0.000 0.277 33 P C 0.581 177.906 177.300 0.041 0.000 1.240 33 P CA 0.281 63.394 63.100 0.021 0.000 0.798 33 P CB 0.296 31.989 31.700 -0.011 0.000 0.979 34 G N -0.483 108.304 108.800 -0.022 0.000 2.132 34 G HA2 -0.196 3.764 3.960 0.000 0.000 0.234 34 G HA3 -0.196 3.764 3.960 0.000 0.000 0.234 34 G C -0.850 173.864 174.900 -0.311 0.000 0.989 34 G CA -0.573 44.437 45.100 -0.149 0.000 0.676 34 G HN 0.401 nan 8.290 nan 0.000 0.522 35 W N -0.528 120.713 121.300 -0.097 0.000 2.587 35 W HA 0.641 5.301 4.660 0.000 0.000 0.324 35 W C 0.016 176.528 176.519 -0.011 0.000 1.040 35 W CA -1.033 56.266 57.345 -0.077 0.000 1.222 35 W CB 1.998 31.307 29.460 -0.251 0.000 1.381 35 W HN 0.144 nan 8.180 nan 0.000 0.483 36 V N 2.715 122.798 119.914 0.283 0.000 2.427 36 V HA 0.381 4.501 4.120 0.000 0.000 0.286 36 V C 0.096 176.377 176.094 0.311 0.000 1.034 36 V CA -0.900 61.530 62.300 0.216 0.000 0.893 36 V CB 1.484 33.379 31.823 0.120 0.000 0.982 36 V HN 0.497 nan 8.190 nan 0.000 0.452 37 S N 4.763 120.606 115.700 0.239 0.000 2.452 37 S HA 0.568 5.038 4.470 0.000 0.000 0.284 37 S C -0.164 174.405 174.600 -0.052 0.000 1.171 37 S CA -0.548 57.739 58.200 0.144 0.000 1.064 37 S CB 0.276 63.573 63.200 0.161 0.000 0.967 37 S HN 0.425 nan 8.310 nan 0.000 0.484 38 L N 4.387 125.461 121.223 -0.248 0.000 2.859 38 L HA 0.583 4.923 4.340 0.000 0.000 0.181 38 L C 1.787 178.447 176.870 -0.350 0.000 1.196 38 L CA 0.422 55.072 54.840 -0.315 0.000 1.062 38 L CB -0.905 40.851 42.059 -0.504 0.000 1.961 38 L HN 0.799 nan 8.230 nan 0.000 0.507 39 G N -1.003 107.571 108.800 -0.376 0.000 2.485 39 G HA2 0.282 4.242 3.960 0.000 0.000 0.260 39 G HA3 0.282 4.242 3.960 0.000 0.000 0.260 39 G C -0.388 174.383 174.900 -0.215 0.000 1.459 39 G CA -0.363 44.623 45.100 -0.189 0.000 1.060 39 G HN 0.460 nan 8.290 nan 0.000 0.546 40 R N -0.376 120.035 120.500 -0.148 0.000 2.390 40 R HA 0.509 4.849 4.340 0.000 0.000 0.291 40 R C 0.453 176.795 176.300 0.069 0.000 1.070 40 R CA 0.152 56.093 56.100 -0.265 0.000 1.014 40 R CB 0.476 30.633 30.300 -0.239 0.000 1.007 40 R HN 0.569 nan 8.270 nan 0.000 0.466 41 A N 3.762 126.669 122.820 0.144 0.000 2.462 41 A HA 0.045 4.365 4.320 0.000 0.000 0.243 41 A C -0.254 177.355 177.584 0.042 0.000 1.076 41 A CA -0.148 51.976 52.037 0.145 0.000 0.773 41 A CB 0.124 19.190 19.000 0.111 0.000 1.010 41 A HN 0.891 nan 8.150 nan 0.000 0.493 42 D N 2.662 123.049 120.400 -0.022 0.000 2.389 42 D HA 0.127 4.767 4.640 0.000 0.000 0.247 42 D C -1.591 174.701 176.300 -0.014 0.000 1.128 42 D CA -1.417 52.578 54.000 -0.009 0.000 0.884 42 D CB 1.103 41.889 40.800 -0.022 0.000 1.194 42 D HN 0.132 nan 8.370 nan 0.000 0.441 43 P HA -0.161 nan 4.420 nan 0.000 0.214 43 P C 0.786 178.080 177.300 -0.010 0.000 1.163 43 P CA 1.218 64.323 63.100 0.008 0.000 0.889 43 P CB 0.256 31.965 31.700 0.015 0.000 0.790 44 E N -0.378 119.813 120.200 -0.015 0.000 2.418 44 E HA -0.091 4.259 4.350 0.000 0.000 0.197 44 E C 0.690 177.271 176.600 -0.033 0.000 1.026 44 E CA 0.310 56.698 56.400 -0.021 0.000 0.862 44 E CB -0.790 28.898 29.700 -0.020 0.000 0.799 44 E HN 0.497 nan 8.360 nan 0.000 0.518 45 E N 2.181 122.355 120.200 -0.044 0.000 2.415 45 E HA -0.049 4.301 4.350 0.000 0.000 0.260 45 E C -0.097 176.483 176.600 -0.034 0.000 1.016 45 E CA -0.153 56.214 56.400 -0.055 0.000 0.924 45 E CB 0.484 30.128 29.700 -0.094 0.000 0.961 45 E HN -0.073 nan 8.360 nan 0.000 0.459 46 E N 3.301 123.504 120.200 0.004 0.000 2.410 46 E HA 0.256 4.606 4.350 0.000 0.000 0.255 46 E C -0.142 176.573 176.600 0.191 0.000 1.194 46 E CA -0.061 56.404 56.400 0.110 0.000 0.955 46 E CB 0.895 30.660 29.700 0.109 0.000 0.988 46 E HN 0.484 nan 8.360 nan 0.000 0.461 47 L N 0.432 121.826 121.223 0.286 0.000 2.591 47 L HA 0.150 4.490 4.340 0.000 0.000 0.257 47 L C -1.129 175.527 176.870 -0.355 0.000 0.935 47 L CA -0.370 54.456 54.840 -0.024 0.000 0.873 47 L CB 2.264 44.153 42.059 -0.284 0.000 1.397 47 L HN 0.538 nan 8.230 nan 0.000 0.414 48 S N 4.605 119.867 115.700 -0.730 0.000 2.438 48 S HA 0.703 5.173 4.470 0.000 0.000 0.316 48 S C -1.121 173.149 174.600 -0.550 0.000 1.084 48 S CA -0.659 56.928 58.200 -1.022 0.000 1.107 48 S CB 0.767 63.127 63.200 -1.400 0.000 0.981 48 S HN 0.366 nan 8.310 nan 0.000 0.466 49 L N 4.002 124.957 121.223 -0.447 0.000 2.334 49 L HA 0.587 4.927 4.340 0.000 0.000 0.276 49 L C 0.352 177.007 176.870 -0.359 0.000 1.014 49 L CA -0.235 54.352 54.840 -0.422 0.000 0.815 49 L CB 1.540 43.291 42.059 -0.514 0.000 1.268 49 L HN 0.717 nan 8.230 nan 0.000 0.428 50 T N 3.450 117.784 114.554 -0.367 0.000 2.791 50 T HA 0.540 4.890 4.350 0.000 0.000 0.288 50 T C -0.520 174.054 174.700 -0.209 0.000 0.999 50 T CA -0.110 61.897 62.100 -0.154 0.000 0.952 50 T CB 0.159 68.994 68.868 -0.055 0.000 0.938 50 T HN 0.094 nan 8.240 nan 0.000 0.444 51 F N 2.360 122.348 119.950 0.062 0.000 2.385 51 F HA 0.569 5.096 4.527 0.000 0.000 0.360 51 F C 0.793 176.589 175.800 -0.007 0.000 1.122 51 F CA -1.038 56.984 58.000 0.037 0.000 1.090 51 F CB 0.943 39.980 39.000 0.062 0.000 1.150 51 F HN 0.566 nan 8.300 nan 0.000 0.472 52 A N 6.147 128.902 122.820 -0.107 0.000 2.350 52 A HA 0.574 4.894 4.320 0.000 0.000 0.293 52 A C -0.329 177.107 177.584 -0.246 0.000 1.231 52 A CA -0.452 51.359 52.037 -0.376 0.000 0.883 52 A CB -0.178 18.276 19.000 -0.911 0.000 1.133 52 A HN 0.799 nan 8.150 nan 0.000 0.533 53 L N 1.859 122.933 121.223 -0.249 0.000 2.357 53 L HA 0.457 4.797 4.340 0.000 0.000 0.273 53 L C 0.847 177.631 176.870 -0.143 0.000 1.080 53 L CA -1.074 53.694 54.840 -0.119 0.000 0.803 53 L CB 0.784 42.792 42.059 -0.085 0.000 1.174 53 L HN 0.742 nan 8.230 nan 0.000 0.443 54 R N 2.043 122.513 120.500 -0.050 0.000 2.484 54 R HA 0.047 4.387 4.340 0.000 0.000 0.293 54 R C -0.575 175.693 176.300 -0.053 0.000 1.023 54 R CA 0.477 56.553 56.100 -0.039 0.000 1.037 54 R CB 0.146 30.452 30.300 0.010 0.000 0.951 54 R HN 0.489 nan 8.270 nan 0.000 0.418 55 Q N 2.593 122.352 119.800 -0.069 0.000 2.227 55 Q HA 0.253 4.593 4.340 0.000 0.000 0.245 55 Q C -0.416 175.562 176.000 -0.036 0.000 0.926 55 Q CA -0.555 55.208 55.803 -0.067 0.000 0.895 55 Q CB 1.713 30.400 28.738 -0.084 0.000 1.230 55 Q HN 0.566 nan 8.270 nan 0.000 0.450 56 Q N 0.662 120.443 119.800 -0.032 0.000 2.205 56 Q HA 0.262 4.602 4.340 0.000 0.000 0.249 56 Q C -0.604 175.384 176.000 -0.021 0.000 0.948 56 Q CA -0.437 55.354 55.803 -0.020 0.000 0.895 56 Q CB 0.971 29.700 28.738 -0.015 0.000 1.249 56 Q HN 0.651 nan 8.270 nan 0.000 0.458 57 N N -0.692 118.000 118.700 -0.013 0.000 2.725 57 N HA -0.213 4.527 4.740 0.000 0.000 0.249 57 N C 0.435 175.937 175.510 -0.013 0.000 1.103 57 N CA 0.142 53.186 53.050 -0.010 0.000 0.707 57 N CB -1.122 37.359 38.487 -0.011 0.000 1.043 57 N HN 0.277 nan 8.380 nan 0.000 0.553 58 V N -0.125 119.782 119.914 -0.013 0.000 2.469 58 V HA -0.258 3.862 4.120 0.000 0.000 0.251 58 V C 2.225 178.316 176.094 -0.004 0.000 1.064 58 V CA 2.386 64.677 62.300 -0.014 0.000 1.066 58 V CB -0.261 31.559 31.823 -0.006 0.000 0.667 58 V HN 0.491 nan 8.190 nan 0.000 0.461 59 E N -0.319 119.885 120.200 0.008 0.000 2.216 59 E HA -0.176 4.174 4.350 0.000 0.000 0.192 59 E C 2.337 178.948 176.600 0.018 0.000 0.988 59 E CA 0.471 56.883 56.400 0.021 0.000 0.834 59 E CB 0.074 29.789 29.700 0.025 0.000 0.772 59 E HN 0.277 nan 8.360 nan 0.000 0.479 60 R N 0.379 120.884 120.500 0.008 0.000 2.075 60 R HA -0.063 4.277 4.340 0.000 0.000 0.232 60 R C 2.269 178.570 176.300 0.001 0.000 1.126 60 R CA 0.737 56.841 56.100 0.008 0.000 0.963 60 R CB -1.057 29.245 30.300 0.003 0.000 0.858 60 R HN 0.268 nan 8.270 nan 0.000 0.435 61 L N 0.434 121.648 121.223 -0.015 0.000 2.042 61 L HA -0.141 4.199 4.340 0.000 0.000 0.210 61 L C 2.174 179.018 176.870 -0.044 0.000 1.076 61 L CA 2.237 57.055 54.840 -0.037 0.000 0.749 61 L CB -1.038 40.983 42.059 -0.064 0.000 0.893 61 L HN 0.232 nan 8.230 nan 0.000 0.432 62 S N -0.884 114.799 115.700 -0.028 0.000 2.368 62 S HA -0.227 4.243 4.470 0.000 0.000 0.225 62 S C 1.891 176.525 174.600 0.057 0.000 1.030 62 S CA 1.604 59.805 58.200 0.003 0.000 0.999 62 S CB -0.388 62.848 63.200 0.060 0.000 0.844 62 S HN 0.678 nan 8.310 nan 0.000 0.459 63 E N 0.046 120.276 120.200 0.051 0.000 2.106 63 E HA -0.065 4.285 4.350 0.000 0.000 0.192 63 E C 1.969 178.607 176.600 0.063 0.000 0.984 63 E CA 0.960 57.398 56.400 0.063 0.000 0.806 63 E CB -0.145 29.583 29.700 0.046 0.000 0.750 63 E HN 0.339 nan 8.360 nan 0.000 0.458 64 L N 0.320 121.568 121.223 0.043 0.000 2.093 64 L HA -0.139 4.201 4.340 0.000 0.000 0.208 64 L C 2.241 179.153 176.870 0.070 0.000 1.085 64 L CA 1.178 56.044 54.840 0.043 0.000 0.755 64 L CB -0.675 41.398 42.059 0.024 0.000 0.904 64 L HN 0.037 nan 8.230 nan 0.000 0.435 65 V N -0.803 119.151 119.914 0.067 0.000 2.343 65 V HA -0.320 3.800 4.120 0.000 0.000 0.247 65 V C 2.529 178.749 176.094 0.211 0.000 1.051 65 V CA 1.804 64.174 62.300 0.116 0.000 1.036 65 V CB -0.526 31.312 31.823 0.025 0.000 0.654 65 V HN 0.556 nan 8.190 nan 0.000 0.451 66 Q N -0.333 119.587 119.800 0.200 0.000 2.167 66 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 66 Q C 2.192 178.290 176.000 0.164 0.000 0.970 66 Q CA 1.545 57.478 55.803 0.216 0.000 0.855 66 Q CB -0.178 28.675 28.738 0.192 0.000 0.911 66 Q HN 0.643 nan 8.270 nan 0.000 0.438 67 A N -0.324 122.570 122.820 0.123 0.000 2.014 67 A HA -0.052 4.268 4.320 0.000 0.000 0.218 67 A C 1.901 179.538 177.584 0.089 0.000 1.163 67 A CA 1.053 53.145 52.037 0.092 0.000 0.652 67 A CB -0.040 18.996 19.000 0.061 0.000 0.808 67 A HN 0.303 nan 8.150 nan 0.000 0.449 68 V N -0.057 119.915 119.914 0.096 0.000 3.644 68 V HA 0.008 4.128 4.120 0.000 0.000 0.267 68 V C 2.019 178.154 176.094 0.069 0.000 1.277 68 V CA 1.608 63.922 62.300 0.024 0.000 1.096 68 V CB 0.491 32.352 31.823 0.064 0.000 0.828 68 V HN 0.750 nan 8.190 nan 0.000 0.446 69 S N -2.519 113.309 115.700 0.214 0.000 2.632 69 S HA 0.169 4.639 4.470 0.000 0.000 0.237 69 S C 0.408 175.180 174.600 0.287 0.000 1.037 69 S CA -0.294 58.070 58.200 0.273 0.000 1.009 69 S CB 0.242 63.645 63.200 0.339 0.000 0.974 69 S HN 0.437 nan 8.310 nan 0.000 0.544 70 D N 3.349 123.907 120.400 0.263 0.000 2.317 70 D HA 0.303 4.943 4.640 0.000 0.000 0.234 70 D C -1.931 174.424 176.300 0.093 0.000 1.112 70 D CA -1.943 52.143 54.000 0.142 0.000 0.840 70 D CB 2.081 42.944 40.800 0.105 0.000 1.078 70 D HN 0.060 nan 8.370 nan 0.000 0.486 71 P HA -0.065 nan 4.420 nan 0.000 0.239 71 P C 0.852 177.979 177.300 -0.287 0.000 1.184 71 P CA 0.458 63.219 63.100 -0.565 0.000 0.760 71 P CB 0.129 31.454 31.700 -0.625 0.000 0.884 72 S N -2.814 112.813 115.700 -0.121 0.000 2.556 72 S HA 0.124 4.594 4.470 0.000 0.000 0.216 72 S C 0.971 175.562 174.600 -0.016 0.000 0.970 72 S CA -0.347 57.812 58.200 -0.067 0.000 0.912 72 S CB -0.548 62.627 63.200 -0.043 0.000 0.790 72 S HN -0.004 nan 8.310 nan 0.000 0.504 73 S N 3.136 118.849 115.700 0.021 0.000 2.565 73 S HA 0.399 4.869 4.470 0.000 0.000 0.274 73 S C -1.648 172.992 174.600 0.066 0.000 1.309 73 S CA -1.505 56.731 58.200 0.059 0.000 1.043 73 S CB 1.072 64.334 63.200 0.103 0.000 0.939 73 S HN 0.218 nan 8.310 nan 0.000 0.504 74 P HA 0.066 nan 4.420 nan 0.000 0.249 74 P C 0.213 177.533 177.300 0.033 0.000 1.229 74 P CA 0.449 63.570 63.100 0.035 0.000 0.788 74 P CB 0.218 31.928 31.700 0.018 0.000 1.072 75 Q N -1.167 118.656 119.800 0.037 0.000 2.280 75 Q HA 0.036 4.376 4.340 0.000 0.000 0.201 75 Q C 0.121 176.101 176.000 -0.033 0.000 0.890 75 Q CA -0.522 55.279 55.803 -0.003 0.000 0.947 75 Q CB -0.287 28.450 28.738 -0.001 0.000 1.081 75 Q HN 0.345 nan 8.270 nan 0.000 0.502 76 Y N 1.574 121.822 120.300 -0.086 0.000 2.729 76 Y HA 0.179 4.729 4.550 0.000 0.000 0.331 76 Y C 1.308 177.082 175.900 -0.209 0.000 1.208 76 Y CA 1.651 59.685 58.100 -0.110 0.000 1.521 76 Y CB 0.104 38.522 38.460 -0.069 0.000 1.233 76 Y HN 0.448 nan 8.280 nan 0.000 0.539 77 G N 4.345 112.498 108.800 -1.078 0.000 2.176 77 G HA2 -0.320 3.640 3.960 0.000 0.000 0.253 77 G HA3 -0.320 3.640 3.960 0.000 0.000 0.253 77 G C 0.263 174.462 174.900 -1.167 0.000 0.979 77 G CA 0.119 44.431 45.100 -1.315 0.000 0.641 77 G HN 0.589 nan 8.290 nan 0.000 0.530 78 K N 1.115 121.070 120.400 -0.741 0.000 2.222 78 K HA 0.473 4.793 4.320 0.000 0.000 0.243 78 K C -0.157 176.247 176.600 -0.327 0.000 1.160 78 K CA -0.474 55.563 56.287 -0.416 0.000 1.090 78 K CB -0.111 32.269 32.500 -0.200 0.000 1.694 78 K HN 0.356 nan 8.250 nan 0.000 0.361 79 Y N 0.988 121.249 120.300 -0.065 0.000 2.336 79 Y HA 0.100 4.650 4.550 0.000 0.000 0.331 79 Y C 0.627 176.512 175.900 -0.025 0.000 1.211 79 Y CA -0.902 57.170 58.100 -0.046 0.000 1.346 79 Y CB 0.270 38.704 38.460 -0.044 0.000 1.271 79 Y HN 0.168 nan 8.280 nan 0.000 0.538 80 L N 1.440 122.762 121.223 0.166 0.000 2.452 80 L HA 0.166 4.506 4.340 0.000 0.000 0.267 80 L C 0.852 177.767 176.870 0.075 0.000 1.188 80 L CA 0.415 55.305 54.840 0.083 0.000 0.821 80 L CB 0.340 42.429 42.059 0.050 0.000 1.102 80 L HN 0.674 nan 8.230 nan 0.000 0.470 81 T N 0.938 115.521 114.554 0.048 0.000 2.874 81 T HA 0.168 4.518 4.350 0.000 0.000 0.281 81 T C 1.060 175.771 174.700 0.018 0.000 0.994 81 T CA -0.514 61.608 62.100 0.036 0.000 1.015 81 T CB 0.633 69.519 68.868 0.031 0.000 1.028 81 T HN 0.517 nan 8.240 nan 0.000 0.523 82 L N 2.334 123.564 121.223 0.011 0.000 2.131 82 L HA 0.068 4.408 4.340 0.000 0.000 0.210 82 L C 2.165 179.036 176.870 0.001 0.000 1.092 82 L CA 1.919 56.758 54.840 -0.002 0.000 0.759 82 L CB -0.710 41.347 42.059 -0.003 0.000 0.903 82 L HN 0.671 nan 8.230 nan 0.000 0.435 83 E N -0.585 119.620 120.200 0.008 0.000 2.208 83 E HA -0.122 4.228 4.350 0.000 0.000 0.193 83 E C 1.901 178.504 176.600 0.005 0.000 0.988 83 E CA 0.678 57.083 56.400 0.007 0.000 0.828 83 E CB -0.113 29.594 29.700 0.010 0.000 0.763 83 E HN 0.507 nan 8.360 nan 0.000 0.478 84 N N -0.309 118.396 118.700 0.007 0.000 2.080 84 N HA -0.122 4.618 4.740 0.000 0.000 0.189 84 N C 1.839 177.349 175.510 -0.000 0.000 1.036 84 N CA 1.360 54.414 53.050 0.006 0.000 0.846 84 N CB -0.508 37.986 38.487 0.012 0.000 1.015 84 N HN 0.063 nan 8.380 nan 0.000 0.423 85 V N 1.889 121.801 119.914 -0.003 0.000 2.332 85 V HA -0.234 3.886 4.120 0.000 0.000 0.248 85 V C 2.422 178.505 176.094 -0.017 0.000 1.055 85 V CA 1.925 64.217 62.300 -0.014 0.000 1.038 85 V CB -0.967 30.843 31.823 -0.023 0.000 0.651 85 V HN 0.318 nan 8.190 nan 0.000 0.450 86 A N -0.374 122.440 122.820 -0.011 0.000 1.930 86 A HA -0.227 4.093 4.320 0.000 0.000 0.217 86 A C 1.972 179.549 177.584 -0.011 0.000 1.175 86 A CA 1.904 53.934 52.037 -0.011 0.000 0.627 86 A CB -0.571 18.427 19.000 -0.003 0.000 0.815 86 A HN 0.533 nan 8.150 nan 0.000 0.443 87 D N -0.362 120.034 120.400 -0.007 0.000 2.178 87 D HA -0.094 4.546 4.640 0.000 0.000 0.202 87 D C 1.825 178.119 176.300 -0.009 0.000 0.974 87 D CA 0.578 54.575 54.000 -0.006 0.000 0.841 87 D CB -0.196 40.603 40.800 -0.002 0.000 0.953 87 D HN 0.403 nan 8.370 nan 0.000 0.478 88 L N -0.089 121.128 121.223 -0.011 0.000 2.095 88 L HA -0.041 4.299 4.340 0.000 0.000 0.204 88 L C 1.930 178.789 176.870 -0.020 0.000 1.080 88 L CA 0.984 55.816 54.840 -0.013 0.000 0.759 88 L CB 0.103 42.153 42.059 -0.014 0.000 0.914 88 L HN -0.093 nan 8.230 nan 0.000 0.439 89 V N 0.146 120.044 119.914 -0.027 0.000 3.621 89 V HA 0.045 4.165 4.120 0.000 0.000 0.263 89 V C 1.169 177.237 176.094 -0.044 0.000 1.272 89 V CA -0.182 62.095 62.300 -0.038 0.000 1.080 89 V CB 0.032 31.827 31.823 -0.048 0.000 0.816 89 V HN 0.487 nan 8.190 nan 0.000 0.451 90 R N 1.982 122.461 120.500 -0.035 0.000 2.698 90 R HA 0.124 4.464 4.340 0.000 0.000 0.266 90 R C -2.516 173.763 176.300 -0.035 0.000 1.026 90 R CA -0.959 55.118 56.100 -0.037 0.000 1.102 90 R CB -0.931 29.355 30.300 -0.023 0.000 0.978 90 R HN 0.134 nan 8.270 nan 0.000 0.436 91 P HA -0.060 nan 4.420 nan 0.000 0.269 91 P C -0.377 176.915 177.300 -0.014 0.000 1.217 91 P CA -0.070 63.014 63.100 -0.027 0.000 0.783 91 P CB 0.690 32.371 31.700 -0.031 0.000 0.898 92 S N 2.279 117.978 115.700 -0.002 0.000 2.576 92 S HA 0.127 4.597 4.470 0.000 0.000 0.272 92 S C -1.637 172.955 174.600 -0.014 0.000 1.352 92 S CA -0.566 57.633 58.200 -0.003 0.000 1.021 92 S CB -0.364 62.844 63.200 0.013 0.000 0.887 92 S HN 0.274 nan 8.310 nan 0.000 0.542 93 P HA -0.034 nan 4.420 nan 0.000 0.220 93 P C 1.485 178.770 177.300 -0.025 0.000 1.148 93 P CA 0.342 63.432 63.100 -0.017 0.000 0.803 93 P CB -0.030 31.656 31.700 -0.024 0.000 0.782 94 L N -0.015 121.179 121.223 -0.049 0.000 2.027 94 L HA -0.120 4.220 4.340 0.000 0.000 0.206 94 L C 2.240 178.979 176.870 -0.219 0.000 1.074 94 L CA 2.531 57.314 54.840 -0.094 0.000 0.745 94 L CB -1.707 40.315 42.059 -0.063 0.000 0.898 94 L HN 0.054 nan 8.230 nan 0.000 0.433 95 T N -2.880 111.538 114.554 -0.226 0.000 2.812 95 T HA -0.160 4.190 4.350 0.000 0.000 0.264 95 T C 2.058 176.667 174.700 -0.152 0.000 1.042 95 T CA 1.449 63.361 62.100 -0.314 0.000 1.140 95 T CB -0.882 67.972 68.868 -0.023 0.000 0.870 95 T HN 0.339 nan 8.240 nan 0.000 0.445 96 L N 0.522 121.707 121.223 -0.064 0.000 2.042 96 L HA -0.130 4.210 4.340 0.000 0.000 0.210 96 L C 2.875 179.735 176.870 -0.016 0.000 1.076 96 L CA 2.253 57.077 54.840 -0.026 0.000 0.749 96 L CB -0.721 41.336 42.059 -0.003 0.000 0.893 96 L HN 0.465 nan 8.230 nan 0.000 0.432 97 H N -0.535 118.479 119.070 -0.093 0.000 2.363 97 H HA -0.109 4.447 4.556 0.000 0.000 0.301 97 H C 2.158 177.441 175.328 -0.075 0.000 1.074 97 H CA 1.921 57.926 56.048 -0.072 0.000 1.354 97 H CB 0.079 29.799 29.762 -0.069 0.000 1.397 97 H HN 0.060 nan 8.280 nan 0.000 0.516 98 T N -0.216 114.280 114.554 -0.097 0.000 2.867 98 T HA -0.084 4.266 4.350 0.000 0.000 0.268 98 T C 2.073 176.717 174.700 -0.094 0.000 1.057 98 T CA 1.184 63.197 62.100 -0.144 0.000 1.136 98 T CB -0.257 68.445 68.868 -0.276 0.000 0.874 98 T HN 0.151 nan 8.240 nan 0.000 0.466 99 V N 1.183 121.053 119.914 -0.072 0.000 2.591 99 V HA -0.090 4.030 4.120 0.000 0.000 0.249 99 V C 2.439 178.542 176.094 0.015 0.000 1.053 99 V CA 1.403 63.734 62.300 0.052 0.000 1.068 99 V CB -0.445 31.389 31.823 0.018 0.000 0.689 99 V HN 0.479 nan 8.190 nan 0.000 0.462 100 Q N -0.807 118.943 119.800 -0.083 0.000 2.163 100 Q HA -0.067 4.273 4.340 0.000 0.000 0.198 100 Q C 2.358 178.282 176.000 -0.127 0.000 0.954 100 Q CA 0.710 56.445 55.803 -0.114 0.000 0.851 100 Q CB -0.062 28.609 28.738 -0.111 0.000 0.928 100 Q HN 0.399 nan 8.270 nan 0.000 0.459 101 K N 0.308 120.596 120.400 -0.187 0.000 2.032 101 K HA -0.196 4.124 4.320 0.000 0.000 0.209 101 K C 1.677 178.278 176.600 0.001 0.000 1.048 101 K CA 1.148 57.349 56.287 -0.143 0.000 0.927 101 K CB -0.463 31.917 32.500 -0.201 0.000 0.712 101 K HN 0.321 nan 8.250 nan 0.000 0.441 102 W N 1.769 122.972 121.300 -0.161 0.000 2.358 102 W HA -0.127 4.533 4.660 0.000 0.000 0.303 102 W C 1.776 178.223 176.519 -0.121 0.000 1.208 102 W CA 1.198 58.474 57.345 -0.115 0.000 1.274 102 W CB -0.470 28.926 29.460 -0.107 0.000 1.138 102 W HN -0.034 nan 8.180 nan 0.000 0.515 103 L N -0.167 120.897 121.223 -0.265 0.000 2.179 103 L HA -0.156 4.184 4.340 0.000 0.000 0.208 103 L C 2.509 179.224 176.870 -0.258 0.000 1.096 103 L CA 0.277 54.855 54.840 -0.437 0.000 0.779 103 L CB -0.920 40.886 42.059 -0.421 0.000 0.922 103 L HN 0.014 nan 8.230 nan 0.000 0.443 104 L N 0.473 121.599 121.223 -0.162 0.000 2.012 104 L HA -0.190 4.150 4.340 0.000 0.000 0.210 104 L C 2.542 179.354 176.870 -0.096 0.000 1.073 104 L CA 2.332 57.108 54.840 -0.107 0.000 0.748 104 L CB -0.801 41.211 42.059 -0.078 0.000 0.891 104 L HN 0.241 nan 8.230 nan 0.000 0.431 105 A N -1.046 121.719 122.820 -0.092 0.000 2.119 105 A HA 0.110 4.430 4.320 0.000 0.000 0.216 105 A C 2.257 179.789 177.584 -0.086 0.000 1.152 105 A CA 1.069 53.070 52.037 -0.059 0.000 0.708 105 A CB -0.458 18.535 19.000 -0.011 0.000 0.805 105 A HN 0.509 nan 8.150 nan 0.000 0.460 106 A N -1.741 120.978 122.820 -0.168 0.000 2.123 106 A HA 0.404 4.724 4.320 0.000 0.000 0.214 106 A C 1.793 179.304 177.584 -0.120 0.000 1.152 106 A CA 1.341 53.267 52.037 -0.184 0.000 0.728 106 A CB -0.559 18.228 19.000 -0.355 0.000 0.814 106 A HN 1.737 nan 8.150 nan 0.000 0.464 107 G N -2.116 106.620 108.800 -0.107 0.000 2.163 107 G HA2 0.151 4.111 3.960 0.000 0.000 0.213 107 G HA3 0.151 4.111 3.960 0.000 0.000 0.213 107 G C 0.393 175.255 174.900 -0.062 0.000 0.991 107 G CA 0.101 45.160 45.100 -0.068 0.000 0.653 107 G HN 1.563 nan 8.290 nan 0.000 0.518 108 A N 0.611 123.373 122.820 -0.097 0.000 2.561 108 A HA 0.493 4.813 4.320 0.000 0.000 0.251 108 A C 0.787 178.352 177.584 -0.031 0.000 1.062 108 A CA 0.734 52.729 52.037 -0.070 0.000 0.761 108 A CB 0.133 19.052 19.000 -0.136 0.000 0.986 108 A HN 0.566 nan 8.150 nan 0.000 0.510 109 Q N 1.252 121.066 119.800 0.024 0.000 2.193 109 Q HA 0.302 4.642 4.340 0.000 0.000 0.246 109 Q C -0.273 175.760 176.000 0.055 0.000 0.959 109 Q CA -1.186 54.637 55.803 0.034 0.000 0.904 109 Q CB 0.818 29.579 28.738 0.038 0.000 1.238 109 Q HN 0.625 nan 8.270 nan 0.000 0.469 110 K N 0.631 121.052 120.400 0.034 0.000 2.510 110 K HA -0.104 4.216 4.320 0.000 0.000 0.272 110 K C -1.203 175.374 176.600 -0.038 0.000 1.025 110 K CA 0.472 56.772 56.287 0.023 0.000 1.134 110 K CB -0.100 32.429 32.500 0.049 0.000 0.827 110 K HN 0.523 nan 8.250 nan 0.000 0.485 111 c N 4.803 123.380 118.600 -0.038 0.000 2.435 111 c HA 0.460 5.030 4.570 0.000 0.000 0.333 111 c C -0.753 173.353 174.090 0.026 0.000 1.202 111 c CA -0.989 55.285 56.329 -0.092 0.000 1.830 111 c CB 0.724 43.218 42.510 -0.027 0.000 2.326 111 c HN 0.747 nan 8.230 nan 0.000 0.507 112 H N 0.737 119.852 119.070 0.075 0.000 2.466 112 H HA 0.599 5.155 4.556 0.000 0.000 0.338 112 H C 0.035 175.405 175.328 0.069 0.000 1.091 112 H CA -0.027 56.061 56.048 0.067 0.000 1.207 112 H CB 1.805 31.609 29.762 0.070 0.000 1.466 112 H HN 0.598 nan 8.280 nan 0.000 0.493 113 S N 1.058 116.873 115.700 0.191 0.000 2.776 113 S HA 0.742 5.212 4.470 0.000 0.000 0.306 113 S C -0.105 174.568 174.600 0.121 0.000 1.114 113 S CA -0.367 57.919 58.200 0.143 0.000 0.973 113 S CB 0.883 64.143 63.200 0.100 0.000 1.250 113 S HN 0.479 nan 8.310 nan 0.000 0.549 114 V N -0.603 119.379 119.914 0.112 0.000 3.164 114 V HA 0.597 4.717 4.120 0.000 0.000 0.313 114 V C 0.949 177.079 176.094 0.061 0.000 1.188 114 V CA -0.705 61.645 62.300 0.084 0.000 1.058 114 V CB 0.799 32.683 31.823 0.102 0.000 1.110 114 V HN 0.930 nan 8.190 nan 0.000 0.453 115 I N 0.876 121.471 120.570 0.042 0.000 2.286 115 I HA -0.174 3.996 4.170 0.000 0.000 0.248 115 I C 2.533 178.664 176.117 0.023 0.000 1.115 115 I CA 2.300 63.617 61.300 0.027 0.000 1.392 115 I CB -0.204 37.807 38.000 0.018 0.000 1.065 115 I HN 1.020 nan 8.210 nan 0.000 0.418 116 T N -2.174 112.396 114.554 0.028 0.000 3.118 116 T HA -0.055 4.295 4.350 0.000 0.000 0.260 116 T C 1.041 175.739 174.700 -0.004 0.000 1.139 116 T CA 0.179 62.284 62.100 0.009 0.000 1.085 116 T CB -0.043 68.829 68.868 0.006 0.000 0.934 116 T HN 0.444 nan 8.240 nan 0.000 0.518 117 Q N 0.589 120.400 119.800 0.019 0.000 2.452 117 Q HA -0.192 4.148 4.340 0.000 0.000 0.248 117 Q C -0.201 175.779 176.000 -0.033 0.000 0.874 117 Q CA 1.177 56.986 55.803 0.009 0.000 1.208 117 Q CB -1.570 27.168 28.738 0.000 0.000 1.569 117 Q HN 0.911 nan 8.270 nan 0.000 0.579 118 D N -0.918 119.430 120.400 -0.087 0.000 2.395 118 D HA 0.215 4.855 4.640 0.000 0.000 0.213 118 D C -0.021 175.964 176.300 -0.525 0.000 1.110 118 D CA 0.162 53.994 54.000 -0.280 0.000 0.835 118 D CB 0.067 40.654 40.800 -0.355 0.000 0.965 118 D HN 0.156 nan 8.370 nan 0.000 0.505 119 F N -0.130 119.819 119.950 -0.002 0.000 2.576 119 F HA 0.554 5.081 4.527 0.000 0.000 0.313 119 F C -0.960 174.867 175.800 0.044 0.000 1.078 119 F CA -1.375 56.631 58.000 0.011 0.000 0.921 119 F CB 2.531 41.527 39.000 -0.005 0.000 1.232 119 F HN -0.269 nan 8.300 nan 0.000 0.459 120 L N 2.228 123.633 121.223 0.303 0.000 2.528 120 L HA 0.503 4.843 4.340 0.000 0.000 0.267 120 L C -0.998 176.018 176.870 0.244 0.000 0.961 120 L CA -0.095 54.874 54.840 0.215 0.000 0.866 120 L CB 1.789 43.931 42.059 0.139 0.000 1.248 120 L HN 0.529 nan 8.230 nan 0.000 0.404 121 T N 4.183 118.819 114.554 0.137 0.000 2.758 121 T HA 0.648 4.999 4.350 0.000 0.000 0.285 121 T C -0.610 174.046 174.700 -0.074 0.000 0.981 121 T CA -0.150 61.967 62.100 0.028 0.000 0.965 121 T CB 0.509 69.364 68.868 -0.021 0.000 0.927 121 T HN 0.657 nan 8.240 nan 0.000 0.448 122 c N 2.640 121.191 118.600 -0.081 0.000 2.779 122 c HA 0.620 5.190 4.570 0.000 0.000 0.314 122 c C -0.851 173.090 174.090 -0.248 0.000 1.231 122 c CA -1.321 54.947 56.329 -0.102 0.000 1.652 122 c CB 1.141 43.657 42.510 0.011 0.000 2.198 122 c HN 0.948 nan 8.230 nan 0.000 0.483 123 W N 1.816 123.071 121.300 -0.075 0.000 2.391 123 W HA 0.755 5.415 4.660 0.000 0.000 0.311 123 W C -0.449 176.025 176.519 -0.076 0.000 1.087 123 W CA -0.299 57.000 57.345 -0.078 0.000 1.209 123 W CB 0.695 30.104 29.460 -0.084 0.000 1.273 123 W HN 0.293 nan 8.180 nan 0.000 0.482 124 L N 2.918 124.224 121.223 0.138 0.000 2.422 124 L HA 0.400 4.740 4.340 0.000 0.000 0.264 124 L C 0.216 177.101 176.870 0.024 0.000 0.984 124 L CA -0.900 53.963 54.840 0.039 0.000 0.819 124 L CB 2.137 44.177 42.059 -0.032 0.000 1.330 124 L HN 0.275 nan 8.230 nan 0.000 0.410 125 S N 1.483 117.186 115.700 0.004 0.000 2.569 125 S HA 0.106 4.576 4.470 0.000 0.000 0.274 125 S C 1.342 175.901 174.600 -0.067 0.000 1.353 125 S CA -0.236 57.953 58.200 -0.020 0.000 1.023 125 S CB 0.782 63.974 63.200 -0.015 0.000 0.876 125 S HN 0.480 nan 8.310 nan 0.000 0.540 126 I N 1.276 121.794 120.570 -0.087 0.000 2.315 126 I HA -0.172 3.998 4.170 0.000 0.000 0.248 126 I C 2.753 178.872 176.117 0.003 0.000 1.117 126 I CA 1.167 62.389 61.300 -0.129 0.000 1.404 126 I CB -0.180 37.765 38.000 -0.092 0.000 1.071 126 I HN 0.653 nan 8.210 nan 0.000 0.419 127 R N 0.780 121.290 120.500 0.017 0.000 2.091 127 R HA -0.235 4.105 4.340 0.000 0.000 0.238 127 R C 2.158 178.485 176.300 0.045 0.000 1.136 127 R CA 1.786 57.912 56.100 0.044 0.000 0.959 127 R CB -0.179 30.136 30.300 0.026 0.000 0.856 127 R HN 0.432 nan 8.270 nan 0.000 0.437 128 Q N -0.433 119.376 119.800 0.014 0.000 2.172 128 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 128 Q C 2.104 178.112 176.000 0.014 0.000 0.964 128 Q CA 1.298 57.101 55.803 0.001 0.000 0.855 128 Q CB 0.017 28.738 28.738 -0.027 0.000 0.918 128 Q HN 0.461 nan 8.270 nan 0.000 0.444 129 A N 1.219 124.054 122.820 0.024 0.000 1.969 129 A HA -0.210 4.110 4.320 0.000 0.000 0.218 129 A C 1.771 179.486 177.584 0.217 0.000 1.169 129 A CA 1.306 53.393 52.037 0.082 0.000 0.635 129 A CB -0.223 18.756 19.000 -0.036 0.000 0.810 129 A HN 0.305 nan 8.150 nan 0.000 0.445 130 E N -0.210 120.123 120.200 0.221 0.000 2.046 130 E HA -0.060 4.290 4.350 0.000 0.000 0.190 130 E C 1.982 178.675 176.600 0.156 0.000 0.982 130 E CA 0.756 57.287 56.400 0.218 0.000 0.800 130 E CB -0.237 29.584 29.700 0.200 0.000 0.756 130 E HN 0.563 nan 8.360 nan 0.000 0.449 131 L N 1.173 122.466 121.223 0.116 0.000 1.989 131 L HA -0.220 4.120 4.340 0.000 0.000 0.211 131 L C 2.646 179.593 176.870 0.129 0.000 1.071 131 L CA 0.934 55.837 54.840 0.104 0.000 0.749 131 L CB -0.514 41.585 42.059 0.066 0.000 0.890 131 L HN 0.300 nan 8.230 nan 0.000 0.431 132 L N 0.139 121.414 121.223 0.086 0.000 2.051 132 L HA -0.208 4.132 4.340 0.000 0.000 0.214 132 L C 0.962 177.992 176.870 0.266 0.000 1.076 132 L CA 1.671 56.547 54.840 0.060 0.000 0.758 132 L CB -0.118 41.893 42.059 -0.079 0.000 0.890 132 L HN 0.278 nan 8.230 nan 0.000 0.433 133 L N 0.607 121.983 121.223 0.255 0.000 2.495 133 L HA 0.321 4.661 4.340 0.000 0.000 0.248 133 L C -2.318 174.709 176.870 0.261 0.000 1.229 133 L CA -1.686 53.348 54.840 0.322 0.000 0.942 133 L CB 0.912 43.140 42.059 0.282 0.000 1.242 133 L HN -0.049 nan 8.230 nan 0.000 0.484 134 P HA 0.057 nan 4.420 nan 0.000 0.261 134 P C 1.035 178.429 177.300 0.155 0.000 1.173 134 P CA 1.090 64.290 63.100 0.167 0.000 0.760 134 P CB 0.973 32.760 31.700 0.145 0.000 0.783 135 G N 2.236 111.109 108.800 0.122 0.000 2.345 135 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 135 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 135 G C 0.431 175.402 174.900 0.118 0.000 1.058 135 G CA -0.054 45.110 45.100 0.107 0.000 0.632 135 G HN 0.833 nan 8.290 nan 0.000 0.508 136 A N 0.958 123.837 122.820 0.097 0.000 2.566 136 A HA 0.445 4.765 4.320 0.000 0.000 0.245 136 A C 0.427 177.943 177.584 -0.113 0.000 1.056 136 A CA 1.545 53.521 52.037 -0.102 0.000 0.757 136 A CB 0.088 18.926 19.000 -0.270 0.000 0.979 136 A HN 0.764 nan 8.150 nan 0.000 0.508 137 E N 3.103 123.218 120.200 -0.142 0.000 2.220 137 E HA 0.447 4.797 4.350 0.000 0.000 0.256 137 E C -1.634 174.907 176.600 -0.099 0.000 0.881 137 E CA -0.455 55.930 56.400 -0.025 0.000 0.766 137 E CB 0.552 30.362 29.700 0.184 0.000 1.187 137 E HN 0.497 nan 8.360 nan 0.000 0.419 138 F N 3.792 123.792 119.950 0.083 0.000 2.438 138 F HA 0.273 4.800 4.527 0.000 0.000 0.356 138 F C 0.990 176.811 175.800 0.034 0.000 1.099 138 F CA -0.053 58.000 58.000 0.089 0.000 1.185 138 F CB 0.655 39.679 39.000 0.039 0.000 1.115 138 F HN 0.389 nan 8.300 nan 0.000 0.526 139 H N 2.098 121.298 119.070 0.216 0.000 2.676 139 H HA 0.416 4.972 4.556 0.000 0.000 0.352 139 H C -0.556 174.767 175.328 -0.009 0.000 1.193 139 H CA -0.829 55.231 56.048 0.020 0.000 1.243 139 H CB 2.024 31.669 29.762 -0.196 0.000 1.751 139 H HN 0.563 nan 8.280 nan 0.000 0.567 140 H N -0.651 118.213 119.070 -0.343 0.000 2.747 140 H HA 0.412 4.968 4.556 0.000 0.000 0.371 140 H C -1.579 173.370 175.328 -0.631 0.000 1.161 140 H CA -0.864 54.970 56.048 -0.357 0.000 1.167 140 H CB 1.147 30.825 29.762 -0.139 0.000 1.732 140 H HN 0.535 nan 8.280 nan 0.000 0.544 141 Y N -0.223 120.117 120.300 0.068 0.000 2.562 141 Y HA 0.436 4.986 4.550 0.000 0.000 0.345 141 Y C -0.159 175.879 175.900 0.229 0.000 1.045 141 Y CA -1.229 56.980 58.100 0.181 0.000 1.028 141 Y CB 2.421 41.087 38.460 0.344 0.000 1.297 141 Y HN 0.675 nan 8.280 nan 0.000 0.463 142 V N -0.864 119.308 119.914 0.429 0.000 2.715 142 V HA 0.956 5.076 4.120 0.000 0.000 0.310 142 V C 0.373 176.545 176.094 0.131 0.000 1.054 142 V CA -0.037 62.442 62.300 0.299 0.000 0.928 142 V CB 1.287 33.215 31.823 0.175 0.000 1.007 142 V HN 0.955 nan 8.190 nan 0.000 0.437 143 G N 2.628 111.293 108.800 -0.225 0.000 2.622 143 G HA2 0.559 4.519 3.960 0.000 0.000 0.206 143 G HA3 0.559 4.519 3.960 0.000 0.000 0.206 143 G C 0.458 174.688 174.900 -1.118 0.000 1.458 143 G CA 0.399 44.777 45.100 -1.203 0.000 0.919 143 G HN 1.473 nan 8.290 nan 0.000 0.508 144 G N -1.640 106.785 108.800 -0.625 0.000 3.058 144 G HA2 0.491 4.451 3.960 0.000 0.000 0.282 144 G HA3 0.491 4.451 3.960 0.000 0.000 0.282 144 G C -2.249 172.525 174.900 -0.210 0.000 1.248 144 G CA -0.021 44.820 45.100 -0.431 0.000 0.822 144 G HN 0.073 nan 8.290 nan 0.000 0.579 145 P HA 0.029 nan 4.420 nan 0.000 0.219 145 P C 0.897 178.173 177.300 -0.041 0.000 1.145 145 P CA 2.330 65.389 63.100 -0.067 0.000 0.813 145 P CB -0.123 31.552 31.700 -0.042 0.000 0.771 146 T N -0.613 113.909 114.554 -0.054 0.000 2.794 146 T HA 0.274 4.624 4.350 0.000 0.000 0.280 146 T C -0.078 174.595 174.700 -0.045 0.000 0.987 146 T CA -0.737 61.356 62.100 -0.012 0.000 0.993 146 T CB 0.408 69.293 68.868 0.028 0.000 0.939 146 T HN -0.083 nan 8.240 nan 0.000 0.449 147 E N 3.077 123.280 120.200 0.006 0.000 1.881 147 E HA 0.270 4.620 4.350 0.000 0.000 0.264 147 E C -0.337 176.310 176.600 0.079 0.000 1.243 147 E CA -0.145 56.269 56.400 0.023 0.000 0.965 147 E CB -0.095 29.642 29.700 0.061 0.000 1.055 147 E HN 0.561 nan 8.360 nan 0.000 0.412 148 T N 2.344 116.927 114.554 0.049 0.000 2.824 148 T HA 0.131 4.481 4.350 0.000 0.000 0.280 148 T C -0.381 174.515 174.700 0.327 0.000 0.995 148 T CA -0.644 61.554 62.100 0.163 0.000 1.009 148 T CB 1.154 70.101 68.868 0.132 0.000 0.955 148 T HN 0.371 nan 8.240 nan 0.000 0.452 149 H N 2.821 122.055 119.070 0.273 0.000 2.517 149 H HA 0.591 5.148 4.556 0.000 0.000 0.317 149 H C -0.601 174.931 175.328 0.340 0.000 1.080 149 H CA -0.361 55.878 56.048 0.318 0.000 1.301 149 H CB 0.902 30.804 29.762 0.233 0.000 1.425 149 H HN 0.525 nan 8.280 nan 0.000 0.471 150 V N 2.568 122.609 119.914 0.213 0.000 3.040 150 V HA 0.573 4.693 4.120 0.000 0.000 0.312 150 V C -0.937 175.230 176.094 0.122 0.000 1.115 150 V CA -0.909 61.500 62.300 0.181 0.000 0.998 150 V CB 1.904 33.766 31.823 0.066 0.000 1.042 150 V HN 0.408 nan 8.190 nan 0.000 0.433 151 V N 3.697 123.696 119.914 0.142 0.000 2.378 151 V HA 0.751 4.871 4.120 0.000 0.000 0.288 151 V C -0.158 176.063 176.094 0.211 0.000 1.016 151 V CA -0.412 62.008 62.300 0.202 0.000 0.840 151 V CB 1.249 33.141 31.823 0.116 0.000 0.994 151 V HN 0.981 nan 8.190 nan 0.000 0.431 152 R N 2.263 122.973 120.500 0.351 0.000 2.774 152 R HA 0.582 4.922 4.340 0.000 0.000 0.272 152 R C -0.801 175.642 176.300 0.239 0.000 1.000 152 R CA -0.723 55.474 56.100 0.162 0.000 0.906 152 R CB 2.188 32.285 30.300 -0.340 0.000 1.227 152 R HN 0.556 nan 8.270 nan 0.000 0.468 153 S N 2.076 117.752 115.700 -0.040 0.000 2.429 153 S HA 0.358 4.828 4.470 0.000 0.000 0.302 153 S C -1.638 172.994 174.600 0.054 0.000 1.115 153 S CA -1.739 56.397 58.200 -0.107 0.000 1.095 153 S CB 0.960 63.910 63.200 -0.417 0.000 0.987 153 S HN 0.317 nan 8.310 nan 0.000 0.474 154 P HA 0.069 nan 4.420 nan 0.000 0.236 154 P C -0.202 177.003 177.300 -0.158 0.000 1.177 154 P CA 0.512 63.512 63.100 -0.167 0.000 0.773 154 P CB 0.061 31.546 31.700 -0.360 0.000 0.878 155 H N 0.913 120.020 119.070 0.061 0.000 2.496 155 H HA 0.368 4.924 4.556 0.000 0.000 0.342 155 H C -2.055 173.341 175.328 0.114 0.000 1.170 155 H CA -2.845 53.230 56.048 0.045 0.000 1.274 155 H CB 0.167 29.955 29.762 0.043 0.000 1.538 155 H HN 0.049 nan 8.280 nan 0.000 0.542 156 P HA 0.113 nan 4.420 nan 0.000 0.276 156 P C -0.973 176.448 177.300 0.201 0.000 1.244 156 P CA -0.253 62.938 63.100 0.151 0.000 0.801 156 P CB 0.741 32.427 31.700 -0.023 0.000 1.006 157 Y N -0.703 119.663 120.300 0.110 0.000 2.485 157 Y HA 0.640 5.190 4.550 0.000 0.000 0.345 157 Y C -0.314 175.625 175.900 0.065 0.000 0.998 157 Y CA -1.102 57.044 58.100 0.077 0.000 1.059 157 Y CB 1.604 40.100 38.460 0.060 0.000 1.234 157 Y HN 0.452 nan 8.280 nan 0.000 0.461 158 Q N 2.989 122.866 119.800 0.127 0.000 2.496 158 Q HA 0.728 5.068 4.340 0.000 0.000 0.286 158 Q C -1.750 174.410 176.000 0.266 0.000 1.103 158 Q CA -1.206 54.624 55.803 0.045 0.000 0.813 158 Q CB 2.882 31.613 28.738 -0.013 0.000 1.444 158 Q HN 0.819 nan 8.270 nan 0.000 0.443 159 L N 1.555 122.913 121.223 0.225 0.000 2.331 159 L HA 0.542 4.882 4.340 0.000 0.000 0.275 159 L C -2.215 174.754 176.870 0.166 0.000 1.022 159 L CA -2.490 52.512 54.840 0.271 0.000 0.812 159 L CB 1.744 43.959 42.059 0.259 0.000 1.257 159 L HN 0.496 nan 8.230 nan 0.000 0.435 160 P HA -0.084 nan 4.420 nan 0.000 0.265 160 P C -0.217 177.067 177.300 -0.027 0.000 1.187 160 P CA -0.029 63.089 63.100 0.030 0.000 0.766 160 P CB 0.812 32.492 31.700 -0.032 0.000 0.820 161 Q N 3.423 123.220 119.800 -0.005 0.000 2.291 161 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 161 Q C 2.028 177.964 176.000 -0.107 0.000 0.976 161 Q CA 2.145 57.928 55.803 -0.035 0.000 0.875 161 Q CB -1.024 27.698 28.738 -0.026 0.000 0.927 161 Q HN 0.558 nan 8.270 nan 0.000 0.450 162 A N -0.349 122.403 122.820 -0.114 0.000 2.019 162 A HA -0.086 4.234 4.320 0.000 0.000 0.219 162 A C 1.576 179.075 177.584 -0.142 0.000 1.164 162 A CA 1.061 53.026 52.037 -0.120 0.000 0.644 162 A CB -0.251 18.681 19.000 -0.113 0.000 0.805 162 A HN 0.424 nan 8.150 nan 0.000 0.449 163 L N -1.280 119.795 121.223 -0.247 0.000 2.585 163 L HA 0.141 4.481 4.340 0.000 0.000 0.226 163 L C 2.644 179.409 176.870 -0.176 0.000 1.113 163 L CA 1.129 55.811 54.840 -0.264 0.000 0.876 163 L CB -1.283 40.383 42.059 -0.655 0.000 1.072 163 L HN 0.440 nan 8.230 nan 0.000 0.468 164 A N 1.526 124.225 122.820 -0.203 0.000 1.908 164 A HA -0.117 4.203 4.320 0.000 0.000 0.218 164 A C -0.130 177.272 177.584 -0.304 0.000 1.181 164 A CA 1.545 53.433 52.037 -0.249 0.000 0.627 164 A CB -1.555 17.163 19.000 -0.470 0.000 0.818 164 A HN 0.312 nan 8.150 nan 0.000 0.445 165 P HA -0.053 nan 4.420 nan 0.000 0.229 165 P C 0.630 177.648 177.300 -0.471 0.000 1.160 165 P CA 1.065 63.834 63.100 -0.552 0.000 0.777 165 P CB -0.032 31.176 31.700 -0.819 0.000 0.814 166 H N -2.407 116.618 119.070 -0.076 0.000 2.885 166 H HA 0.300 4.856 4.556 0.000 0.000 0.260 166 H C 0.166 175.477 175.328 -0.029 0.000 0.985 166 H CA 0.223 56.236 56.048 -0.059 0.000 1.210 166 H CB 0.816 30.531 29.762 -0.077 0.000 1.466 166 H HN -0.074 nan 8.280 nan 0.000 0.493 167 V N 2.178 122.140 119.914 0.079 0.000 2.483 167 V HA 0.100 4.220 4.120 0.000 0.000 0.297 167 V C 0.214 176.380 176.094 0.121 0.000 1.027 167 V CA -0.609 61.762 62.300 0.117 0.000 0.855 167 V CB 2.548 34.502 31.823 0.217 0.000 0.995 167 V HN 0.023 nan 8.190 nan 0.000 0.424 168 D N 3.321 123.755 120.400 0.056 0.000 2.091 168 D HA 0.091 4.731 4.640 0.000 0.000 0.199 168 D C 0.159 176.653 176.300 0.322 0.000 0.980 168 D CA 2.089 56.162 54.000 0.122 0.000 0.831 168 D CB 0.194 41.003 40.800 0.015 0.000 0.987 168 D HN 0.560 nan 8.370 nan 0.000 0.460 169 F N -2.819 117.281 119.950 0.250 0.000 2.900 169 F HA 0.464 4.991 4.527 0.000 0.000 0.321 169 F C -1.824 174.124 175.800 0.246 0.000 1.160 169 F CA -1.491 56.692 58.000 0.305 0.000 0.890 169 F CB 0.925 40.105 39.000 0.300 0.000 1.334 169 F HN -0.357 nan 8.300 nan 0.000 0.459 170 V N 1.936 122.156 119.914 0.509 0.000 2.384 170 V HA 0.724 4.844 4.120 0.000 0.000 0.287 170 V C 0.578 176.761 176.094 0.148 0.000 1.020 170 V CA -0.311 62.016 62.300 0.045 0.000 0.850 170 V CB 0.863 32.473 31.823 -0.355 0.000 0.987 170 V HN 1.163 nan 8.190 nan 0.000 0.436 171 G N 2.441 111.328 108.800 0.145 0.000 2.467 171 G HA2 0.496 4.456 3.960 0.000 0.000 0.257 171 G HA3 0.496 4.456 3.960 0.000 0.000 0.257 171 G C 0.890 175.712 174.900 -0.130 0.000 1.227 171 G CA 0.396 45.568 45.100 0.121 0.000 0.835 171 G HN 1.830 nan 8.290 nan 0.000 0.556 172 G N 0.230 108.942 108.800 -0.146 0.000 2.130 172 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 172 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 172 G C 0.699 175.470 174.900 -0.216 0.000 0.999 172 G CA 0.437 45.423 45.100 -0.190 0.000 0.686 172 G HN 0.632 nan 8.290 nan 0.000 0.515 173 L N -1.531 119.489 121.223 -0.338 0.000 2.425 173 L HA 0.420 4.760 4.340 0.000 0.000 0.215 173 L C 1.923 178.383 176.870 -0.683 0.000 1.065 173 L CA 2.115 56.633 54.840 -0.536 0.000 0.842 173 L CB 0.070 41.587 42.059 -0.903 0.000 1.033 173 L HN 0.458 nan 8.230 nan 0.000 0.474 174 H N -3.018 115.904 119.070 -0.247 0.000 3.580 174 H HA 0.314 4.871 4.556 0.000 0.000 0.245 174 H C 0.285 175.370 175.328 -0.406 0.000 1.015 174 H CA -0.489 55.383 56.048 -0.294 0.000 1.113 174 H CB 0.608 30.280 29.762 -0.150 0.000 1.469 174 H HN -0.082 nan 8.280 nan 0.000 0.554 175 R N 1.413 121.750 120.500 -0.272 0.000 2.298 175 R HA 0.255 4.595 4.340 0.000 0.000 0.310 175 R C -1.188 174.898 176.300 -0.356 0.000 1.068 175 R CA -0.294 55.662 56.100 -0.240 0.000 0.957 175 R CB 0.584 30.732 30.300 -0.253 0.000 1.003 175 R HN -0.005 nan 8.270 nan 0.000 0.454 176 F N 3.790 123.595 119.950 -0.242 0.000 2.379 176 F HA 0.322 4.849 4.527 0.000 0.000 0.332 176 F C -1.333 174.459 175.800 -0.013 0.000 1.096 176 F CA -2.224 55.595 58.000 -0.302 0.000 1.105 176 F CB 0.559 39.150 39.000 -0.681 0.000 1.189 176 F HN 0.339 nan 8.300 nan 0.000 0.515 177 P HA 0.163 nan 4.420 nan 0.000 0.271 177 P C -2.613 174.944 177.300 0.429 0.000 1.244 177 P CA -1.040 62.290 63.100 0.384 0.000 0.793 177 P CB -0.276 31.660 31.700 0.393 0.000 0.984 178 P HA 0.213 nan 4.420 nan 0.000 0.274 178 P C 0.130 177.543 177.300 0.189 0.000 1.231 178 P CA 0.069 63.295 63.100 0.211 0.000 0.790 178 P CB 0.444 32.231 31.700 0.145 0.000 0.951 179 T N -1.892 112.726 114.554 0.107 0.000 2.958 179 T HA 0.064 4.415 4.350 0.000 0.000 0.256 179 T C 0.937 175.633 174.700 -0.006 0.000 0.983 179 T CA 0.123 62.230 62.100 0.012 0.000 0.924 179 T CB -0.179 68.642 68.868 -0.078 0.000 1.136 179 T HN 0.617 nan 8.240 nan 0.000 0.506 198 L N 1.089 122.390 121.223 0.131 0.000 2.400 198 L HA 0.637 4.977 4.340 0.000 0.000 0.264 198 L C 1.119 178.098 176.870 0.181 0.000 1.061 198 L CA -0.435 54.450 54.840 0.075 0.000 0.799 198 L CB 1.155 43.120 42.059 -0.158 0.000 1.240 198 L HN 0.741 nan 8.230 nan 0.000 0.461 199 G N 0.554 109.401 108.800 0.079 0.000 2.664 199 G HA2 0.357 4.317 3.960 0.000 0.000 0.242 199 G HA3 0.357 4.317 3.960 0.000 0.000 0.242 199 G C -0.826 174.118 174.900 0.073 0.000 1.225 199 G CA -0.398 44.707 45.100 0.008 0.000 0.849 199 G HN 0.356 nan 8.290 nan 0.000 0.581 200 V N 0.843 120.741 119.914 -0.026 0.000 2.435 200 V HA 0.559 4.679 4.120 0.000 0.000 0.290 200 V C 0.406 176.427 176.094 -0.121 0.000 1.030 200 V CA -0.340 61.857 62.300 -0.172 0.000 0.881 200 V CB 1.594 33.055 31.823 -0.604 0.000 0.983 200 V HN 0.874 nan 8.190 nan 0.000 0.445 201 T N 6.280 120.776 114.554 -0.096 0.000 2.916 201 T HA 0.388 4.738 4.350 0.000 0.000 0.292 201 T C -2.043 172.670 174.700 0.022 0.000 1.064 201 T CA -1.292 60.723 62.100 -0.142 0.000 1.011 201 T CB 2.209 70.975 68.868 -0.169 0.000 1.152 201 T HN 0.314 nan 8.240 nan 0.000 0.510 202 P HA -0.173 nan 4.420 nan 0.000 0.215 202 P C 1.893 179.235 177.300 0.070 0.000 1.157 202 P CA 1.229 64.398 63.100 0.116 0.000 0.874 202 P CB -0.005 31.808 31.700 0.189 0.000 0.790 203 S N -0.772 114.986 115.700 0.097 0.000 2.378 203 S HA -0.222 4.248 4.470 0.000 0.000 0.229 203 S C 1.941 176.550 174.600 0.016 0.000 1.052 203 S CA 2.336 60.582 58.200 0.076 0.000 1.084 203 S CB -1.294 61.947 63.200 0.069 0.000 0.950 203 S HN -0.105 nan 8.310 nan 0.000 0.440 204 V N 1.776 121.688 119.914 -0.005 0.000 2.307 204 V HA -0.113 4.007 4.120 0.000 0.000 0.245 204 V C 2.415 178.479 176.094 -0.051 0.000 1.045 204 V CA 2.010 64.296 62.300 -0.024 0.000 1.024 204 V CB -0.686 31.135 31.823 -0.003 0.000 0.651 204 V HN 0.540 nan 8.190 nan 0.000 0.449 205 I N -0.401 120.126 120.570 -0.070 0.000 2.208 205 I HA -0.283 3.888 4.170 0.000 0.000 0.245 205 I C 2.775 178.808 176.117 -0.141 0.000 1.097 205 I CA 1.697 62.903 61.300 -0.157 0.000 1.363 205 I CB -0.412 37.591 38.000 0.005 0.000 1.051 205 I HN 0.233 nan 8.210 nan 0.000 0.413 206 R N 0.210 120.672 120.500 -0.063 0.000 2.115 206 R HA -0.135 4.205 4.340 0.000 0.000 0.230 206 R C 2.346 178.625 176.300 -0.036 0.000 1.111 206 R CA 0.777 56.843 56.100 -0.057 0.000 0.976 206 R CB -0.193 30.058 30.300 -0.082 0.000 0.870 206 R HN 0.189 nan 8.270 nan 0.000 0.445 207 K N 1.000 121.374 120.400 -0.043 0.000 2.001 207 K HA -0.135 4.185 4.320 0.000 0.000 0.208 207 K C 2.063 178.639 176.600 -0.041 0.000 1.048 207 K CA 1.358 57.625 56.287 -0.033 0.000 0.932 207 K CB -0.154 32.319 32.500 -0.044 0.000 0.715 207 K HN -0.083 nan 8.250 nan 0.000 0.437 208 R N 0.109 120.548 120.500 -0.101 0.000 2.073 208 R HA -0.093 4.247 4.340 0.000 0.000 0.234 208 R C 1.652 177.920 176.300 -0.054 0.000 1.134 208 R CA 1.638 57.663 56.100 -0.124 0.000 0.952 208 R CB -0.822 29.376 30.300 -0.170 0.000 0.850 208 R HN 0.336 nan 8.270 nan 0.000 0.433 209 Y N 0.912 121.236 120.300 0.040 0.000 2.470 209 Y HA 0.166 4.716 4.550 0.000 0.000 0.302 209 Y C 0.075 176.008 175.900 0.056 0.000 1.194 209 Y CA -0.469 57.652 58.100 0.035 0.000 1.271 209 Y CB 0.007 38.470 38.460 0.004 0.000 1.092 209 Y HN 0.135 nan 8.280 nan 0.000 0.513 210 N N 0.342 119.136 118.700 0.156 0.000 2.708 210 N HA -0.194 4.547 4.740 0.000 0.000 0.249 210 N C -0.747 174.830 175.510 0.112 0.000 1.097 210 N CA 0.606 53.731 53.050 0.126 0.000 0.710 210 N CB -1.062 37.516 38.487 0.153 0.000 1.032 210 N HN 0.259 nan 8.380 nan 0.000 0.551 211 L N 0.423 121.659 121.223 0.021 0.000 2.416 211 L HA 0.226 4.567 4.340 0.000 0.000 0.272 211 L C 1.355 178.190 176.870 -0.058 0.000 1.161 211 L CA 0.894 55.657 54.840 -0.128 0.000 0.845 211 L CB 0.893 42.820 42.059 -0.221 0.000 1.119 211 L HN 0.036 nan 8.230 nan 0.000 0.464 212 T N 0.512 115.032 114.554 -0.057 0.000 2.952 212 T HA 0.234 4.584 4.350 0.000 0.000 0.286 212 T C 1.205 175.909 174.700 0.007 0.000 1.024 212 T CA -0.120 61.983 62.100 0.004 0.000 1.029 212 T CB 1.302 70.195 68.868 0.042 0.000 1.094 212 T HN 0.766 nan 8.240 nan 0.000 0.515 213 S N 1.591 117.320 115.700 0.048 0.000 2.469 213 S HA -0.114 4.356 4.470 0.000 0.000 0.238 213 S C 1.482 176.131 174.600 0.081 0.000 0.998 213 S CA 0.923 59.176 58.200 0.088 0.000 0.957 213 S CB -0.233 63.020 63.200 0.089 0.000 0.764 213 S HN 0.610 nan 8.310 nan 0.000 0.514 214 Q N 1.054 120.889 119.800 0.057 0.000 2.402 214 Q HA 0.233 4.574 4.340 0.000 0.000 0.206 214 Q C -0.272 175.761 176.000 0.055 0.000 0.919 214 Q CA 0.396 56.235 55.803 0.060 0.000 0.923 214 Q CB 0.084 28.861 28.738 0.064 0.000 1.048 214 Q HN 0.456 nan 8.270 nan 0.000 0.515 215 D N 0.730 121.138 120.400 0.013 0.000 2.545 215 D HA 0.126 4.766 4.640 0.000 0.000 0.227 215 D C -0.675 175.572 176.300 -0.088 0.000 1.150 215 D CA 0.275 54.243 54.000 -0.054 0.000 1.046 215 D CB 0.140 40.778 40.800 -0.269 0.000 1.098 215 D HN -0.111 nan 8.370 nan 0.000 0.502 216 V N -0.358 119.562 119.914 0.011 0.000 3.206 216 V HA 0.575 4.695 4.120 0.000 0.000 0.305 216 V C 0.557 176.677 176.094 0.044 0.000 1.257 216 V CA -1.261 61.053 62.300 0.023 0.000 1.057 216 V CB 2.321 34.186 31.823 0.071 0.000 1.075 216 V HN 0.350 nan 8.190 nan 0.000 0.443 217 G N 0.776 109.605 108.800 0.048 0.000 2.380 217 G HA2 0.434 4.394 3.960 0.000 0.000 0.262 217 G HA3 0.434 4.394 3.960 0.000 0.000 0.262 217 G C 0.267 175.185 174.900 0.029 0.000 1.243 217 G CA 0.366 45.489 45.100 0.039 0.000 0.865 217 G HN 1.002 nan 8.290 nan 0.000 0.513 218 S N 1.717 117.422 115.700 0.007 0.000 3.700 218 S HA 0.299 4.769 4.470 0.000 0.000 0.192 218 S C 1.069 175.675 174.600 0.010 0.000 1.430 218 S CA -0.162 58.040 58.200 0.004 0.000 0.999 218 S CB 0.736 63.927 63.200 -0.015 0.000 1.411 218 S HN 0.930 nan 8.310 nan 0.000 0.491 219 G N 1.928 110.741 108.800 0.022 0.000 2.641 219 G HA2 0.254 4.214 3.960 0.000 0.000 0.278 219 G HA3 0.254 4.214 3.960 0.000 0.000 0.278 219 G C 0.459 175.374 174.900 0.025 0.000 0.655 219 G CA -0.059 45.058 45.100 0.029 0.000 2.105 219 G HN 0.694 nan 8.290 nan 0.000 0.558 220 T N -2.072 112.494 114.554 0.020 0.000 3.460 220 T HA 0.410 4.760 4.350 0.000 0.000 0.304 220 T C 0.514 175.228 174.700 0.022 0.000 0.991 220 T CA -0.054 62.058 62.100 0.020 0.000 0.975 220 T CB 0.618 69.495 68.868 0.015 0.000 1.196 220 T HN 0.372 nan 8.240 nan 0.000 0.490 221 S N 0.415 116.131 115.700 0.026 0.000 2.798 221 S HA 0.473 4.943 4.470 0.000 0.000 0.312 221 S C 0.362 174.984 174.600 0.037 0.000 1.122 221 S CA -0.728 57.492 58.200 0.033 0.000 0.949 221 S CB 1.421 64.642 63.200 0.035 0.000 1.235 221 S HN 0.129 nan 8.310 nan 0.000 0.552 222 N N 1.379 120.106 118.700 0.045 0.000 2.322 222 N HA 0.097 4.837 4.740 0.000 0.000 0.194 222 N C -0.383 175.129 175.510 0.004 0.000 1.126 222 N CA -0.004 53.063 53.050 0.029 0.000 0.845 222 N CB -0.473 38.035 38.487 0.034 0.000 0.976 222 N HN 0.497 nan 8.380 nan 0.000 0.475 223 N N 0.931 119.660 118.700 0.047 0.000 2.440 223 N HA -0.038 4.702 4.740 0.000 0.000 0.265 223 N C -0.782 174.707 175.510 -0.035 0.000 1.239 223 N CA 0.345 53.430 53.050 0.058 0.000 0.909 223 N CB 0.464 39.012 38.487 0.102 0.000 1.066 223 N HN 0.091 nan 8.380 nan 0.000 0.474 224 S N 1.881 117.489 115.700 -0.153 0.000 2.661 224 S HA 0.666 5.136 4.470 0.000 0.000 0.285 224 S C -0.988 173.463 174.600 -0.248 0.000 1.138 224 S CA -0.975 57.097 58.200 -0.213 0.000 0.855 224 S CB 1.914 64.894 63.200 -0.367 0.000 1.136 224 S HN 0.666 nan 8.310 nan 0.000 0.484 225 Q N -0.001 119.661 119.800 -0.230 0.000 2.544 225 Q HA 0.878 5.218 4.340 0.000 0.000 0.291 225 Q C -1.402 174.454 176.000 -0.240 0.000 1.068 225 Q CA -1.637 54.041 55.803 -0.208 0.000 0.785 225 Q CB 2.047 30.739 28.738 -0.077 0.000 1.481 225 Q HN 1.219 nan 8.270 nan 0.000 0.430 226 A N 0.216 122.903 122.820 -0.222 0.000 2.589 226 A HA 0.716 5.036 4.320 0.000 0.000 0.296 226 A C -0.939 176.634 177.584 -0.018 0.000 1.062 226 A CA -0.494 51.472 52.037 -0.118 0.000 0.686 226 A CB 1.231 20.117 19.000 -0.191 0.000 1.282 226 A HN 1.138 nan 8.150 nan 0.000 0.404 227 C N 0.297 119.620 119.300 0.038 0.000 2.634 227 C HA 1.008 5.468 4.460 0.000 0.000 0.313 227 C C 0.148 175.160 174.990 0.036 0.000 1.198 227 C CA -0.165 58.856 59.018 0.006 0.000 1.605 227 C CB 0.682 28.379 27.740 -0.071 0.000 2.196 227 C HN 2.046 nan 8.230 nan 0.000 0.486 228 A N 2.673 125.420 122.820 -0.121 0.000 2.371 228 A HA 0.849 5.169 4.320 0.000 0.000 0.311 228 A C -0.895 176.364 177.584 -0.542 0.000 1.068 228 A CA -0.220 51.582 52.037 -0.392 0.000 0.744 228 A CB 1.571 20.100 19.000 -0.785 0.000 1.239 228 A HN 1.007 nan 8.150 nan 0.000 0.435 229 Q N 1.381 120.725 119.800 -0.759 0.000 2.416 229 Q HA 0.609 4.949 4.340 0.000 0.000 0.281 229 Q C -1.742 173.769 176.000 -0.814 0.000 1.067 229 Q CA -0.410 55.074 55.803 -0.532 0.000 0.809 229 Q CB 1.650 30.258 28.738 -0.217 0.000 1.418 229 Q HN 0.713 nan 8.270 nan 0.000 0.411 230 F N 0.697 120.678 119.950 0.052 0.000 2.825 230 F HA 0.317 4.844 4.527 0.000 0.000 0.322 230 F C 0.359 176.217 175.800 0.098 0.000 1.127 230 F CA -0.044 58.012 58.000 0.093 0.000 1.164 230 F CB 0.782 39.891 39.000 0.181 0.000 1.101 230 F HN 0.185 nan 8.300 nan 0.000 0.529 231 L N 0.356 121.679 121.223 0.167 0.000 2.490 231 L HA 0.231 4.571 4.340 0.000 0.000 0.245 231 L C 1.255 178.165 176.870 0.067 0.000 1.185 231 L CA -0.369 54.543 54.840 0.120 0.000 0.813 231 L CB 0.553 42.664 42.059 0.087 0.000 1.233 231 L HN 0.033 nan 8.230 nan 0.000 0.489 232 E N -1.150 119.089 120.200 0.065 0.000 2.485 232 E HA 0.009 4.359 4.350 0.000 0.000 0.194 232 E C -0.554 176.121 176.600 0.125 0.000 1.098 232 E CA 0.177 56.616 56.400 0.066 0.000 0.878 232 E CB -0.348 29.399 29.700 0.079 0.000 0.939 232 E HN 0.414 nan 8.360 nan 0.000 0.503 233 Q N 0.073 119.933 119.800 0.100 0.000 2.214 233 Q HA 0.436 4.776 4.340 0.000 0.000 0.251 233 Q C -0.776 175.317 176.000 0.156 0.000 0.936 233 Q CA -0.663 55.246 55.803 0.176 0.000 0.894 233 Q CB 1.098 29.903 28.738 0.110 0.000 1.252 233 Q HN 0.257 nan 8.270 nan 0.000 0.448 234 Y N 0.553 120.906 120.300 0.089 0.000 2.457 234 Y HA 0.436 4.987 4.550 0.000 0.000 0.333 234 Y C -0.342 175.606 175.900 0.081 0.000 1.119 234 Y CA -1.261 56.919 58.100 0.133 0.000 1.143 234 Y CB 1.127 39.702 38.460 0.193 0.000 1.230 234 Y HN 0.576 nan 8.280 nan 0.000 0.469 235 F N 0.574 120.628 119.950 0.174 0.000 2.422 235 F HA 0.579 5.106 4.527 0.000 0.000 0.333 235 F C -1.041 174.914 175.800 0.259 0.000 1.095 235 F CA -0.950 57.102 58.000 0.086 0.000 1.038 235 F CB 0.682 39.710 39.000 0.047 0.000 1.156 235 F HN 0.470 nan 8.300 nan 0.000 0.483 236 H N 3.191 122.050 119.070 -0.351 0.000 2.492 236 H HA 0.209 4.765 4.556 0.000 0.000 0.345 236 H C -0.148 174.957 175.328 -0.371 0.000 1.136 236 H CA -0.874 54.908 56.048 -0.442 0.000 1.202 236 H CB 1.663 31.331 29.762 -0.158 0.000 1.524 236 H HN 0.676 nan 8.280 nan 0.000 0.506 237 D N 0.976 121.223 120.400 -0.255 0.000 2.144 237 D HA -0.178 4.462 4.640 0.000 0.000 0.199 237 D C 2.056 178.390 176.300 0.057 0.000 0.984 237 D CA 1.704 55.686 54.000 -0.031 0.000 0.834 237 D CB -0.120 40.656 40.800 -0.041 0.000 0.955 237 D HN 0.533 nan 8.370 nan 0.000 0.465 238 S N 0.658 116.378 115.700 0.034 0.000 2.370 238 S HA -0.186 4.284 4.470 0.000 0.000 0.226 238 S C 1.552 176.209 174.600 0.095 0.000 1.033 238 S CA 1.199 59.431 58.200 0.053 0.000 1.011 238 S CB -0.362 62.859 63.200 0.035 0.000 0.852 238 S HN 0.087 nan 8.310 nan 0.000 0.457 239 D N 1.384 121.862 120.400 0.130 0.000 2.144 239 D HA 0.011 4.651 4.640 0.000 0.000 0.200 239 D C 1.871 178.288 176.300 0.194 0.000 0.978 239 D CA 0.652 54.744 54.000 0.153 0.000 0.833 239 D CB -0.483 40.403 40.800 0.144 0.000 0.961 239 D HN 0.330 nan 8.370 nan 0.000 0.470 240 L N 0.900 122.242 121.223 0.198 0.000 2.056 240 L HA -0.035 4.305 4.340 0.000 0.000 0.207 240 L C 2.082 179.072 176.870 0.198 0.000 1.078 240 L CA 1.633 56.599 54.840 0.210 0.000 0.749 240 L CB -0.742 41.463 42.059 0.242 0.000 0.901 240 L HN -0.038 nan 8.230 nan 0.000 0.433 241 A N -1.104 121.803 122.820 0.144 0.000 1.898 241 A HA -0.264 4.056 4.320 0.000 0.000 0.216 241 A C 2.326 179.950 177.584 0.068 0.000 1.181 241 A CA 1.701 53.797 52.037 0.098 0.000 0.620 241 A CB -0.673 18.369 19.000 0.069 0.000 0.819 241 A HN 0.650 nan 8.150 nan 0.000 0.442 242 Q N -1.682 118.165 119.800 0.079 0.000 2.079 242 Q HA -0.174 4.166 4.340 0.000 0.000 0.200 242 Q C 1.846 177.850 176.000 0.006 0.000 0.974 242 Q CA 1.723 57.542 55.803 0.027 0.000 0.840 242 Q CB -0.262 28.502 28.738 0.043 0.000 0.898 242 Q HN 0.670 nan 8.270 nan 0.000 0.430 243 F N 0.246 120.186 119.950 -0.017 0.000 2.102 243 F HA -0.215 4.312 4.527 0.000 0.000 0.298 243 F C 1.933 177.702 175.800 -0.052 0.000 1.105 243 F CA 1.229 59.246 58.000 0.027 0.000 1.239 243 F CB 0.007 39.075 39.000 0.113 0.000 0.991 243 F HN 0.128 nan 8.300 nan 0.000 0.474 244 M N -0.009 119.626 119.600 0.058 0.000 2.319 244 M HA -0.082 4.398 4.480 0.000 0.000 0.265 244 M C 2.136 178.251 176.300 -0.309 0.000 1.068 244 M CA 1.276 56.441 55.300 -0.225 0.000 1.118 244 M CB -1.113 31.319 32.600 -0.280 0.000 1.395 244 M HN 0.174 nan 8.290 nan 0.000 0.435 245 R N -0.601 119.779 120.500 -0.200 0.000 2.148 245 R HA -0.051 4.289 4.340 0.000 0.000 0.227 245 R C 1.892 178.005 176.300 -0.311 0.000 1.103 245 R CA 0.772 56.757 56.100 -0.192 0.000 0.983 245 R CB 0.055 30.273 30.300 -0.136 0.000 0.874 245 R HN 0.242 nan 8.270 nan 0.000 0.451 246 L N -1.253 119.671 121.223 -0.498 0.000 2.357 246 L HA 0.119 4.459 4.340 0.000 0.000 0.211 246 L C 0.817 177.142 176.870 -0.908 0.000 1.075 246 L CA 1.519 55.892 54.840 -0.778 0.000 0.830 246 L CB 0.055 41.446 42.059 -1.113 0.000 0.996 246 L HN 0.055 nan 8.230 nan 0.000 0.467 247 F N -1.561 118.087 119.950 -0.503 0.000 2.789 247 F HA 0.351 4.878 4.527 0.000 0.000 0.320 247 F C 2.030 177.611 175.800 -0.364 0.000 1.079 247 F CA 0.246 57.964 58.000 -0.471 0.000 1.205 247 F CB -0.411 38.136 39.000 -0.755 0.000 1.046 247 F HN -0.015 nan 8.300 nan 0.000 0.586 248 G N -0.099 108.472 108.800 -0.381 0.000 3.233 248 G HA2 0.198 4.158 3.960 0.000 0.000 0.227 248 G HA3 0.198 4.158 3.960 0.000 0.000 0.227 248 G C 1.791 176.323 174.900 -0.614 0.000 1.175 248 G CA 0.512 45.105 45.100 -0.845 0.000 0.781 248 G HN 0.418 nan 8.290 nan 0.000 0.542 249 G N 1.539 110.156 108.800 -0.304 0.000 2.529 249 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 249 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 249 G C 1.056 175.871 174.900 -0.141 0.000 1.177 249 G CA 0.979 45.977 45.100 -0.169 0.000 0.773 249 G HN 0.510 nan 8.290 nan 0.000 0.573 250 N N -0.448 118.189 118.700 -0.106 0.000 2.467 250 N HA 0.413 5.153 4.740 0.000 0.000 0.278 250 N C -0.947 174.658 175.510 0.159 0.000 1.306 250 N CA -0.440 52.622 53.050 0.020 0.000 0.905 250 N CB 0.525 39.048 38.487 0.061 0.000 1.236 250 N HN 0.477 nan 8.380 nan 0.000 0.509 251 F N -2.387 117.616 119.950 0.089 0.000 2.635 251 F HA 0.756 5.283 4.527 0.000 0.000 0.314 251 F C -0.726 175.151 175.800 0.127 0.000 1.119 251 F CA -1.979 56.075 58.000 0.089 0.000 1.000 251 F CB 0.593 39.641 39.000 0.080 0.000 1.278 251 F HN -0.099 nan 8.300 nan 0.000 0.446 252 A N 3.800 126.744 122.820 0.206 0.000 2.520 252 A HA 0.501 4.821 4.320 0.000 0.000 0.245 252 A C -0.334 177.366 177.584 0.193 0.000 1.072 252 A CA 0.317 52.374 52.037 0.033 0.000 0.761 252 A CB -0.416 18.600 19.000 0.027 0.000 1.004 252 A HN 1.120 nan 8.150 nan 0.000 0.499 253 H N 0.510 119.637 119.070 0.096 0.000 2.977 253 H HA 0.511 5.067 4.556 0.000 0.000 0.350 253 H C -1.097 174.283 175.328 0.087 0.000 1.238 253 H CA -0.880 55.258 56.048 0.151 0.000 1.124 253 H CB 0.883 30.749 29.762 0.173 0.000 1.866 253 H HN 0.652 nan 8.280 nan 0.000 0.550 254 Q N -0.203 119.758 119.800 0.268 0.000 2.235 254 Q HA 0.477 4.817 4.340 0.000 0.000 0.250 254 Q C 0.586 176.713 176.000 0.211 0.000 0.909 254 Q CA -0.139 55.766 55.803 0.170 0.000 0.910 254 Q CB 1.986 30.804 28.738 0.134 0.000 1.223 254 Q HN 0.772 nan 8.270 nan 0.000 0.432 255 A N 2.361 125.268 122.820 0.145 0.000 1.873 255 A HA -0.056 4.264 4.320 0.000 0.000 0.215 255 A C 0.701 178.369 177.584 0.140 0.000 1.186 255 A CA 1.683 53.805 52.037 0.142 0.000 0.616 255 A CB -0.037 19.013 19.000 0.084 0.000 0.823 255 A HN 0.745 nan 8.150 nan 0.000 0.442 256 S N -2.957 112.817 115.700 0.124 0.000 2.720 256 S HA 0.583 5.053 4.470 0.000 0.000 0.287 256 S C -0.687 173.990 174.600 0.129 0.000 1.168 256 S CA -0.583 57.699 58.200 0.137 0.000 0.832 256 S CB 1.068 64.336 63.200 0.114 0.000 1.166 256 S HN 0.340 nan 8.310 nan 0.000 0.493 257 V N 2.082 122.090 119.914 0.158 0.000 2.572 257 V HA 0.439 4.559 4.120 0.000 0.000 0.291 257 V C 1.658 177.794 176.094 0.070 0.000 1.039 257 V CA 0.361 62.726 62.300 0.108 0.000 1.055 257 V CB 0.601 32.500 31.823 0.127 0.000 0.969 257 V HN 1.157 nan 8.190 nan 0.000 0.482 258 A N 5.403 128.257 122.820 0.057 0.000 1.969 258 A HA 0.035 4.355 4.320 0.000 0.000 0.218 258 A C 1.241 178.742 177.584 -0.138 0.000 1.169 258 A CA 1.110 53.158 52.037 0.019 0.000 0.635 258 A CB 0.026 19.102 19.000 0.127 0.000 0.810 258 A HN 0.746 nan 8.150 nan 0.000 0.445 259 R N -2.073 118.269 120.500 -0.263 0.000 2.629 259 R HA 0.520 4.861 4.340 0.000 0.000 0.266 259 R C -2.432 173.650 176.300 -0.363 0.000 1.051 259 R CA -0.407 55.401 56.100 -0.488 0.000 0.895 259 R CB 1.969 31.584 30.300 -1.143 0.000 1.246 259 R HN -0.006 nan 8.270 nan 0.000 0.459 260 V N 4.333 124.089 119.914 -0.264 0.000 2.419 260 V HA 0.344 4.464 4.120 0.000 0.000 0.287 260 V C -0.717 175.285 176.094 -0.154 0.000 1.017 260 V CA -0.686 61.539 62.300 -0.125 0.000 0.844 260 V CB 1.860 33.727 31.823 0.073 0.000 1.011 260 V HN 0.480 nan 8.190 nan 0.000 0.429 261 V N 3.512 123.312 119.914 -0.190 0.000 2.347 261 V HA 0.826 4.946 4.120 0.000 0.000 0.280 261 V C 0.821 176.942 176.094 0.045 0.000 1.021 261 V CA 0.245 62.486 62.300 -0.097 0.000 0.847 261 V CB 0.955 32.701 31.823 -0.129 0.000 0.990 261 V HN 1.184 nan 8.190 nan 0.000 0.444 262 G N 4.133 112.962 108.800 0.049 0.000 2.919 262 G HA2 -0.115 3.845 3.960 0.000 0.000 0.225 262 G HA3 -0.115 3.845 3.960 0.000 0.000 0.225 262 G C -0.602 174.316 174.900 0.030 0.000 1.117 262 G CA -0.448 44.702 45.100 0.083 0.000 1.033 262 G HN 0.657 nan 8.290 nan 0.000 0.532 263 Q N -1.131 118.660 119.800 -0.015 0.000 2.313 263 Q HA 0.449 4.789 4.340 0.000 0.000 0.260 263 Q C -0.314 175.670 176.000 -0.028 0.000 0.972 263 Q CA -0.596 55.182 55.803 -0.043 0.000 0.886 263 Q CB 1.444 30.200 28.738 0.030 0.000 1.373 263 Q HN 0.370 nan 8.270 nan 0.000 0.416 264 Q N 0.357 120.128 119.800 -0.049 0.000 2.110 264 Q HA 0.498 4.838 4.340 0.000 0.000 0.232 264 Q C 0.080 176.094 176.000 0.023 0.000 0.810 264 Q CA 0.012 55.798 55.803 -0.029 0.000 1.083 264 Q CB 2.021 30.712 28.738 -0.079 0.000 1.193 264 Q HN 0.694 nan 8.270 nan 0.000 0.471 265 G N -0.631 108.234 108.800 0.109 0.000 2.348 265 G HA2 0.357 4.317 3.960 0.000 0.000 0.296 265 G HA3 0.357 4.317 3.960 0.000 0.000 0.296 265 G C -1.470 173.446 174.900 0.028 0.000 1.258 265 G CA -1.021 44.120 45.100 0.069 0.000 0.868 265 G HN 0.026 nan 8.290 nan 0.000 0.488 266 R N -1.159 119.255 120.500 -0.142 0.000 2.519 266 R HA 0.711 5.051 4.340 0.000 0.000 0.244 266 R C 0.642 176.493 176.300 -0.748 0.000 1.241 266 R CA 1.006 56.895 56.100 -0.352 0.000 1.120 266 R CB 0.969 31.128 30.300 -0.235 0.000 1.333 266 R HN 1.595 nan 8.270 nan 0.000 0.587 267 G N -0.531 107.890 108.800 -0.632 0.000 2.327 267 G HA2 0.120 4.080 3.960 0.000 0.000 0.291 267 G HA3 0.120 4.080 3.960 0.000 0.000 0.291 267 G C -1.645 173.165 174.900 -0.150 0.000 1.290 267 G CA -0.897 43.847 45.100 -0.592 0.000 0.857 267 G HN 0.390 nan 8.290 nan 0.000 0.520 268 R N -0.160 120.324 120.500 -0.027 0.000 2.474 268 R HA 0.685 5.025 4.340 0.000 0.000 0.295 268 R C 0.304 176.599 176.300 -0.009 0.000 0.980 268 R CA -0.143 55.985 56.100 0.048 0.000 0.934 268 R CB 1.838 32.162 30.300 0.040 0.000 1.101 268 R HN 0.861 nan 8.270 nan 0.000 0.469 269 A N 1.453 124.133 122.820 -0.234 0.000 2.401 269 A HA 0.489 4.809 4.320 0.000 0.000 0.259 269 A C 0.289 177.832 177.584 -0.068 0.000 1.103 269 A CA -0.089 51.751 52.037 -0.329 0.000 0.789 269 A CB 0.677 19.374 19.000 -0.504 0.000 1.035 269 A HN 0.783 nan 8.150 nan 0.000 0.491 270 G N 0.375 109.175 108.800 -0.001 0.000 2.441 270 G HA2 0.485 4.445 3.960 0.000 0.000 0.334 270 G HA3 0.485 4.445 3.960 0.000 0.000 0.334 270 G C 0.695 175.616 174.900 0.036 0.000 1.161 270 G CA -0.704 44.416 45.100 0.034 0.000 0.935 270 G HN 0.636 nan 8.290 nan 0.000 0.488 271 I N -0.223 120.371 120.570 0.039 0.000 2.286 271 I HA -0.132 4.038 4.170 0.000 0.000 0.248 271 I C 2.577 178.717 176.117 0.038 0.000 1.115 271 I CA 1.100 62.428 61.300 0.047 0.000 1.392 271 I CB 0.046 38.072 38.000 0.043 0.000 1.065 271 I HN 0.575 nan 8.210 nan 0.000 0.418 272 E N 0.994 121.210 120.200 0.026 0.000 2.072 272 E HA -0.149 4.201 4.350 0.000 0.000 0.190 272 E C 2.328 178.932 176.600 0.008 0.000 0.982 272 E CA 1.181 57.586 56.400 0.008 0.000 0.803 272 E CB 0.051 29.756 29.700 0.008 0.000 0.755 272 E HN 0.439 nan 8.360 nan 0.000 0.453 273 A N 0.678 123.515 122.820 0.028 0.000 1.972 273 A HA -0.140 4.180 4.320 0.000 0.000 0.219 273 A C 2.356 179.974 177.584 0.056 0.000 1.169 273 A CA 1.672 53.734 52.037 0.042 0.000 0.635 273 A CB -0.310 18.750 19.000 0.099 0.000 0.810 273 A HN 0.154 nan 8.150 nan 0.000 0.446 274 S N -0.615 115.124 115.700 0.064 0.000 2.371 274 S HA -0.084 4.386 4.470 0.000 0.000 0.224 274 S C 1.848 176.456 174.600 0.013 0.000 1.029 274 S CA 1.256 59.496 58.200 0.066 0.000 0.978 274 S CB -0.368 62.880 63.200 0.079 0.000 0.833 274 S HN 0.537 nan 8.310 nan 0.000 0.466 275 L N 2.376 123.618 121.223 0.032 0.000 2.027 275 L HA -0.079 4.261 4.340 0.000 0.000 0.206 275 L C 1.561 178.461 176.870 0.050 0.000 1.074 275 L CA 1.873 56.755 54.840 0.068 0.000 0.745 275 L CB -0.678 41.387 42.059 0.010 0.000 0.898 275 L HN 0.074 nan 8.230 nan 0.000 0.433 276 D N -0.564 119.825 120.400 -0.018 0.000 2.117 276 D HA -0.147 4.493 4.640 0.000 0.000 0.197 276 D C 2.249 178.515 176.300 -0.057 0.000 0.987 276 D CA 1.830 55.807 54.000 -0.039 0.000 0.829 276 D CB -0.204 40.552 40.800 -0.073 0.000 0.961 276 D HN 0.351 nan 8.370 nan 0.000 0.460 277 V N 0.846 120.690 119.914 -0.117 0.000 2.407 277 V HA -0.190 3.930 4.120 0.000 0.000 0.245 277 V C 2.451 178.443 176.094 -0.170 0.000 1.041 277 V CA 1.341 63.531 62.300 -0.183 0.000 1.040 277 V CB -0.605 31.018 31.823 -0.332 0.000 0.671 277 V HN 0.101 nan 8.190 nan 0.000 0.455 278 Q N -1.112 118.536 119.800 -0.253 0.000 2.119 278 Q HA -0.160 4.180 4.340 0.000 0.000 0.201 278 Q C 2.060 177.732 176.000 -0.547 0.000 0.972 278 Q CA 1.920 57.359 55.803 -0.606 0.000 0.847 278 Q CB -0.142 27.855 28.738 -1.234 0.000 0.903 278 Q HN 0.722 nan 8.270 nan 0.000 0.433 279 Y N -0.770 119.427 120.300 -0.171 0.000 2.503 279 Y HA -0.038 4.513 4.550 0.000 0.000 0.278 279 Y C 1.729 177.642 175.900 0.021 0.000 1.111 279 Y CA 0.053 58.158 58.100 0.009 0.000 1.270 279 Y CB 0.268 38.796 38.460 0.114 0.000 1.063 279 Y HN 0.107 nan 8.280 nan 0.000 0.548 280 L N -0.073 121.197 121.223 0.079 0.000 2.093 280 L HA -0.160 4.180 4.340 0.000 0.000 0.208 280 L C 1.716 178.602 176.870 0.028 0.000 1.085 280 L CA 1.921 56.788 54.840 0.045 0.000 0.755 280 L CB -0.447 41.613 42.059 0.002 0.000 0.904 280 L HN 0.186 nan 8.230 nan 0.000 0.435 281 M N -1.871 117.737 119.600 0.013 0.000 2.561 281 M HA 0.022 4.503 4.480 0.000 0.000 0.238 281 M C 1.487 177.846 176.300 0.098 0.000 1.131 281 M CA 0.340 55.675 55.300 0.058 0.000 1.046 281 M CB 0.015 32.655 32.600 0.067 0.000 1.532 281 M HN 0.174 nan 8.290 nan 0.000 0.497 282 S N -0.010 115.706 115.700 0.027 0.000 2.527 282 S HA 0.226 4.696 4.470 0.000 0.000 0.227 282 S C 1.948 176.396 174.600 -0.252 0.000 1.059 282 S CA 0.486 58.624 58.200 -0.103 0.000 0.919 282 S CB 0.282 63.473 63.200 -0.016 0.000 0.805 282 S HN 0.500 nan 8.310 nan 0.000 0.500 283 A N 1.530 124.309 122.820 -0.068 0.000 1.887 283 A HA 0.440 4.761 4.320 0.000 0.000 0.212 283 A C 1.501 179.030 177.584 -0.092 0.000 1.198 283 A CA 0.903 52.906 52.037 -0.057 0.000 0.628 283 A CB -0.676 18.358 19.000 0.056 0.000 0.847 283 A HN 0.424 nan 8.150 nan 0.000 0.449 284 G N 0.360 109.138 108.800 -0.037 0.000 3.444 284 G HA2 0.530 4.490 3.960 0.000 0.000 0.315 284 G HA3 0.530 4.490 3.960 0.000 0.000 0.315 284 G C -0.032 174.872 174.900 0.006 0.000 1.079 284 G CA 0.412 45.502 45.100 -0.017 0.000 1.500 284 G HN 0.628 nan 8.290 nan 0.000 0.518 285 A N 2.117 124.928 122.820 -0.016 0.000 2.327 285 A HA 0.597 4.917 4.320 0.000 0.000 0.283 285 A C 1.099 178.760 177.584 0.129 0.000 1.127 285 A CA -0.311 51.778 52.037 0.087 0.000 0.810 285 A CB 0.181 19.216 19.000 0.059 0.000 1.066 285 A HN 0.925 nan 8.150 nan 0.000 0.492 286 N N -0.996 117.814 118.700 0.183 0.000 2.741 286 N HA -0.150 4.590 4.740 0.000 0.000 0.250 286 N C -0.761 174.803 175.510 0.089 0.000 1.115 286 N CA 1.193 54.323 53.050 0.134 0.000 0.724 286 N CB -1.534 37.018 38.487 0.108 0.000 1.090 286 N HN 0.638 nan 8.380 nan 0.000 0.558 287 I N 0.154 120.775 120.570 0.084 0.000 2.404 287 I HA 0.204 4.374 4.170 0.000 0.000 0.293 287 I C 0.680 176.835 176.117 0.062 0.000 0.992 287 I CA -0.770 60.566 61.300 0.060 0.000 1.149 287 I CB 1.711 39.738 38.000 0.046 0.000 1.315 287 I HN 0.072 nan 8.210 nan 0.000 0.446 288 S N 3.878 119.614 115.700 0.060 0.000 2.546 288 S HA 0.144 4.614 4.470 0.000 0.000 0.290 288 S C -0.149 174.503 174.600 0.087 0.000 1.290 288 S CA 0.232 58.486 58.200 0.089 0.000 1.069 288 S CB -0.076 63.186 63.200 0.104 0.000 0.846 288 S HN 0.634 nan 8.310 nan 0.000 0.495 289 T N 5.680 120.323 114.554 0.150 0.000 2.881 289 T HA 0.468 4.819 4.350 0.000 0.000 0.290 289 T C -1.374 173.494 174.700 0.280 0.000 1.000 289 T CA -0.436 61.743 62.100 0.132 0.000 0.978 289 T CB 0.483 69.379 68.868 0.047 0.000 0.997 289 T HN 0.619 nan 8.240 nan 0.000 0.443 290 W N 1.853 123.063 121.300 -0.151 0.000 2.606 290 W HA 0.697 5.357 4.660 0.000 0.000 0.332 290 W C -0.793 175.570 176.519 -0.259 0.000 1.052 290 W CA -1.081 56.135 57.345 -0.216 0.000 1.223 290 W CB 1.053 30.355 29.460 -0.263 0.000 1.383 290 W HN 0.285 nan 8.180 nan 0.000 0.524 291 V N 3.875 123.717 119.914 -0.120 0.000 2.409 291 V HA 0.310 4.431 4.120 0.000 0.000 0.291 291 V C -1.080 174.904 176.094 -0.184 0.000 1.020 291 V CA -1.169 61.017 62.300 -0.190 0.000 0.848 291 V CB 0.715 32.285 31.823 -0.422 0.000 0.990 291 V HN 0.286 nan 8.190 nan 0.000 0.430 292 Y N 2.658 122.961 120.300 0.004 0.000 2.326 292 Y HA 0.468 5.018 4.550 0.000 0.000 0.337 292 Y C 0.825 176.641 175.900 -0.140 0.000 1.023 292 Y CA -0.436 57.674 58.100 0.018 0.000 1.143 292 Y CB 1.820 40.363 38.460 0.138 0.000 1.183 292 Y HN 0.631 nan 8.280 nan 0.000 0.485 293 S N 1.482 117.217 115.700 0.059 0.000 2.577 293 S HA 0.305 4.775 4.470 0.000 0.000 0.294 293 S C 0.049 174.647 174.600 -0.004 0.000 1.161 293 S CA -0.779 57.406 58.200 -0.025 0.000 1.143 293 S CB 0.981 64.193 63.200 0.020 0.000 0.991 293 S HN 0.784 nan 8.310 nan 0.000 0.475 294 S N 3.312 118.932 115.700 -0.133 0.000 3.247 294 S HA -0.084 4.386 4.470 0.000 0.000 0.341 294 S C -2.248 172.458 174.600 0.176 0.000 0.924 294 S CA -0.237 57.979 58.200 0.026 0.000 1.323 294 S CB -1.206 62.014 63.200 0.032 0.000 0.918 294 S HN 0.688 nan 8.310 nan 0.000 0.523 295 P HA 0.333 nan 4.420 nan 0.000 0.268 295 P C 1.207 178.654 177.300 0.246 0.000 1.204 295 P CA 1.298 64.558 63.100 0.267 0.000 0.768 295 P CB 0.227 32.110 31.700 0.305 0.000 0.842 296 G N 3.221 112.173 108.800 0.253 0.000 2.225 296 G HA2 -0.370 3.590 3.960 0.000 0.000 0.254 296 G HA3 -0.370 3.590 3.960 0.000 0.000 0.254 296 G C 1.356 176.369 174.900 0.188 0.000 0.988 296 G CA 0.457 45.685 45.100 0.213 0.000 0.625 296 G HN 0.628 nan 8.290 nan 0.000 0.527 297 R N 0.624 121.177 120.500 0.089 0.000 2.127 297 R HA -0.120 4.221 4.340 0.000 0.000 0.238 297 R C 1.918 178.166 176.300 -0.088 0.000 1.134 297 R CA 1.860 57.915 56.100 -0.075 0.000 0.975 297 R CB -0.555 29.599 30.300 -0.244 0.000 0.865 297 R HN 0.690 nan 8.270 nan 0.000 0.447 298 H N -0.850 118.315 119.070 0.159 0.000 2.553 298 H HA 0.118 4.674 4.556 0.000 0.000 0.269 298 H C -0.056 175.379 175.328 0.178 0.000 1.011 298 H CA 0.265 56.412 56.048 0.165 0.000 1.150 298 H CB 0.255 30.100 29.762 0.139 0.000 1.339 298 H HN 0.314 nan 8.280 nan 0.000 0.604 299 E N -0.134 120.222 120.200 0.260 0.000 2.447 299 E HA 0.363 4.713 4.350 0.000 0.000 0.251 299 E C 0.808 177.511 176.600 0.171 0.000 0.910 299 E CA -0.692 55.851 56.400 0.238 0.000 0.841 299 E CB 0.386 30.233 29.700 0.246 0.000 1.403 299 E HN 0.159 nan 8.360 nan 0.000 0.400 300 G N 0.325 109.185 108.800 0.099 0.000 3.471 300 G HA2 0.058 4.018 3.960 0.000 0.000 0.254 300 G HA3 0.058 4.018 3.960 0.000 0.000 0.254 300 G C -0.433 174.431 174.900 -0.060 0.000 1.199 300 G CA 0.156 45.272 45.100 0.026 0.000 1.683 300 G HN 0.062 nan 8.290 nan 0.000 0.625 301 Q N 0.009 119.803 119.800 -0.010 0.000 2.345 301 Q HA 0.277 4.617 4.340 0.000 0.000 0.268 301 Q C -0.588 175.419 176.000 0.012 0.000 1.054 301 Q CA -0.593 55.194 55.803 -0.028 0.000 0.835 301 Q CB 2.122 30.858 28.738 -0.003 0.000 1.339 301 Q HN 0.368 nan 8.270 nan 0.000 0.447 302 E N 2.913 123.115 120.200 0.002 0.000 2.070 302 E HA 0.048 4.398 4.350 0.000 0.000 0.282 302 E C -1.826 174.816 176.600 0.071 0.000 1.104 302 E CA -1.641 54.781 56.400 0.036 0.000 0.876 302 E CB 0.690 30.414 29.700 0.039 0.000 1.055 302 E HN 0.340 nan 8.360 nan 0.000 0.401 303 P HA -0.212 nan 4.420 nan 0.000 0.216 303 P C 0.882 178.269 177.300 0.146 0.000 1.150 303 P CA 1.011 64.242 63.100 0.217 0.000 0.843 303 P CB 0.110 32.031 31.700 0.368 0.000 0.787 304 F N -0.188 119.517 119.950 -0.408 0.000 2.206 304 F HA -0.082 4.445 4.527 0.000 0.000 0.298 304 F C 1.947 177.658 175.800 -0.147 0.000 1.090 304 F CA 0.864 58.395 58.000 -0.783 0.000 1.323 304 F CB -0.851 37.227 39.000 -1.537 0.000 1.028 304 F HN -0.245 nan 8.300 nan 0.000 0.492 305 L N 0.585 121.797 121.223 -0.020 0.000 2.056 305 L HA -0.172 4.168 4.340 0.000 0.000 0.207 305 L C 2.322 179.072 176.870 -0.199 0.000 1.078 305 L CA 1.833 56.653 54.840 -0.034 0.000 0.749 305 L CB -1.194 40.958 42.059 0.155 0.000 0.901 305 L HN 0.200 nan 8.230 nan 0.000 0.433 306 Q N -1.522 118.230 119.800 -0.081 0.000 2.119 306 Q HA -0.255 4.085 4.340 0.000 0.000 0.201 306 Q C 1.926 177.893 176.000 -0.055 0.000 0.972 306 Q CA 2.157 57.920 55.803 -0.066 0.000 0.847 306 Q CB -0.644 28.123 28.738 0.049 0.000 0.903 306 Q HN 0.652 nan 8.270 nan 0.000 0.433 307 W N -0.555 120.643 121.300 -0.171 0.000 2.363 307 W HA -0.168 4.492 4.660 0.000 0.000 0.296 307 W C 1.340 177.637 176.519 -0.369 0.000 1.212 307 W CA 0.928 58.151 57.345 -0.203 0.000 1.260 307 W CB -0.292 29.141 29.460 -0.045 0.000 1.131 307 W HN 0.248 nan 8.180 nan 0.000 0.530 308 L N 0.605 121.508 121.223 -0.533 0.000 2.093 308 L HA -0.157 4.183 4.340 0.000 0.000 0.208 308 L C 2.481 178.985 176.870 -0.610 0.000 1.085 308 L CA 1.919 56.321 54.840 -0.730 0.000 0.755 308 L CB -1.074 40.675 42.059 -0.516 0.000 0.904 308 L HN 0.061 nan 8.230 nan 0.000 0.435 309 M N -1.965 117.282 119.600 -0.588 0.000 2.086 309 M HA -0.245 4.236 4.480 0.000 0.000 0.261 309 M C 2.026 178.147 176.300 -0.297 0.000 1.067 309 M CA 1.441 56.436 55.300 -0.508 0.000 1.116 309 M CB -0.360 31.947 32.600 -0.488 0.000 1.348 309 M HN 0.180 nan 8.290 nan 0.000 0.407 310 L N -0.019 121.025 121.223 -0.299 0.000 2.079 310 L HA -0.205 4.135 4.340 0.000 0.000 0.210 310 L C 2.212 178.939 176.870 -0.238 0.000 1.081 310 L CA 1.487 56.213 54.840 -0.189 0.000 0.752 310 L CB -1.177 40.824 42.059 -0.096 0.000 0.896 310 L HN 0.229 nan 8.230 nan 0.000 0.433 311 L N -0.984 119.949 121.223 -0.484 0.000 2.043 311 L HA -0.215 4.126 4.340 0.000 0.000 0.212 311 L C 2.163 178.893 176.870 -0.232 0.000 1.075 311 L CA 1.601 56.163 54.840 -0.463 0.000 0.752 311 L CB -0.976 40.648 42.059 -0.725 0.000 0.891 311 L HN 0.175 nan 8.230 nan 0.000 0.432 312 S N -1.020 114.571 115.700 -0.181 0.000 2.660 312 S HA 0.067 4.537 4.470 0.000 0.000 0.227 312 S C 1.096 175.679 174.600 -0.028 0.000 0.948 312 S CA 0.109 58.265 58.200 -0.073 0.000 0.948 312 S CB -0.360 62.838 63.200 -0.003 0.000 0.779 312 S HN 0.378 nan 8.310 nan 0.000 0.487 313 N N 1.681 120.360 118.700 -0.035 0.000 2.170 313 N HA 0.162 4.902 4.740 0.000 0.000 0.222 313 N C -0.545 174.978 175.510 0.021 0.000 1.218 313 N CA 0.071 53.122 53.050 0.000 0.000 0.889 313 N CB 0.718 39.206 38.487 0.002 0.000 1.083 313 N HN 0.357 nan 8.380 nan 0.000 0.520 314 E N -1.155 119.061 120.200 0.025 0.000 2.278 314 E HA 0.333 4.683 4.350 0.000 0.000 0.272 314 E C -0.167 176.460 176.600 0.046 0.000 0.890 314 E CA -0.288 56.151 56.400 0.063 0.000 0.770 314 E CB 1.263 31.045 29.700 0.136 0.000 1.212 314 E HN -0.093 nan 8.360 nan 0.000 0.415 315 S N 2.758 118.486 115.700 0.047 0.000 2.388 315 S HA 0.200 4.670 4.470 0.000 0.000 0.223 315 S C 0.587 175.203 174.600 0.026 0.000 1.034 315 S CA 0.743 58.960 58.200 0.029 0.000 0.963 315 S CB 0.043 63.261 63.200 0.030 0.000 0.827 315 S HN 0.569 nan 8.310 nan 0.000 0.481 316 A N 2.012 124.859 122.820 0.044 0.000 2.366 316 A HA 0.655 4.975 4.320 0.000 0.000 0.322 316 A C -0.672 176.896 177.584 -0.027 0.000 1.397 316 A CA -0.429 51.618 52.037 0.017 0.000 0.984 316 A CB -0.087 18.942 19.000 0.047 0.000 1.149 316 A HN 0.519 nan 8.150 nan 0.000 0.540 317 L N 2.978 124.125 121.223 -0.126 0.000 2.341 317 L HA 0.480 4.820 4.340 0.000 0.000 0.267 317 L C -2.249 174.357 176.870 -0.440 0.000 1.009 317 L CA -2.427 52.265 54.840 -0.247 0.000 0.819 317 L CB 2.350 44.388 42.059 -0.036 0.000 1.323 317 L HN 0.384 nan 8.230 nan 0.000 0.425 318 P HA 0.009 nan 4.420 nan 0.000 0.266 318 P C -0.234 176.870 177.300 -0.327 0.000 1.193 318 P CA 0.229 62.926 63.100 -0.672 0.000 0.770 318 P CB 0.440 31.631 31.700 -0.849 0.000 0.836 319 H N -0.635 118.355 119.070 -0.133 0.000 2.415 319 H HA 0.096 4.652 4.556 0.000 0.000 0.297 319 H C 0.283 175.635 175.328 0.039 0.000 1.048 319 H CA 0.272 56.300 56.048 -0.034 0.000 1.365 319 H CB 0.317 30.057 29.762 -0.036 0.000 1.421 319 H HN 0.069 nan 8.280 nan 0.000 0.533 320 V N 1.608 121.577 119.914 0.091 0.000 2.417 320 V HA 0.186 4.306 4.120 0.000 0.000 0.291 320 V C -0.952 175.138 176.094 -0.007 0.000 1.024 320 V CA -0.680 61.683 62.300 0.104 0.000 0.861 320 V CB 1.230 33.106 31.823 0.088 0.000 0.985 320 V HN 0.349 nan 8.190 nan 0.000 0.436 321 H N 1.603 120.724 119.070 0.084 0.000 2.589 321 H HA 0.576 5.132 4.556 0.000 0.000 0.335 321 H C 0.202 175.548 175.328 0.029 0.000 1.019 321 H CA -0.415 55.693 56.048 0.100 0.000 1.213 321 H CB 1.671 31.549 29.762 0.194 0.000 1.472 321 H HN 0.717 nan 8.280 nan 0.000 0.508 322 T N 1.000 115.593 114.554 0.066 0.000 2.758 322 T HA 0.629 4.979 4.350 0.000 0.000 0.285 322 T C -0.479 174.124 174.700 -0.161 0.000 0.981 322 T CA -0.790 61.287 62.100 -0.039 0.000 0.965 322 T CB 0.447 69.310 68.868 -0.009 0.000 0.927 322 T HN 0.247 nan 8.240 nan 0.000 0.448 323 V N 2.788 122.493 119.914 -0.348 0.000 2.531 323 V HA 0.704 4.824 4.120 0.000 0.000 0.301 323 V C 0.087 175.978 176.094 -0.339 0.000 1.034 323 V CA -0.951 61.044 62.300 -0.508 0.000 0.865 323 V CB 1.812 32.991 31.823 -1.072 0.000 0.995 323 V HN 1.027 nan 8.190 nan 0.000 0.424 324 S N 5.027 120.672 115.700 -0.092 0.000 2.516 324 S HA 0.711 5.181 4.470 0.000 0.000 0.268 324 S C -1.316 173.420 174.600 0.227 0.000 1.251 324 S CA -0.373 57.848 58.200 0.036 0.000 1.153 324 S CB 0.140 63.342 63.200 0.003 0.000 1.009 324 S HN 0.789 nan 8.310 nan 0.000 0.479 325 Y N 2.077 122.406 120.300 0.048 0.000 2.521 325 Y HA 0.614 5.164 4.550 0.000 0.000 0.332 325 Y C -0.468 175.368 175.900 -0.108 0.000 1.121 325 Y CA -0.123 57.948 58.100 -0.048 0.000 1.037 325 Y CB 1.736 40.038 38.460 -0.263 0.000 1.330 325 Y HN 0.838 nan 8.280 nan 0.000 0.452 326 G N 4.419 112.697 108.800 -0.871 0.000 2.752 326 G HA2 0.456 4.416 3.960 0.000 0.000 0.298 326 G HA3 0.456 4.416 3.960 0.000 0.000 0.298 326 G C -2.357 172.220 174.900 -0.538 0.000 1.434 326 G CA -0.819 43.959 45.100 -0.536 0.000 1.004 326 G HN 0.459 nan 8.290 nan 0.000 0.560 327 D N 0.723 120.943 120.400 -0.301 0.000 2.419 327 D HA 0.326 4.966 4.640 0.000 0.000 0.234 327 D C -0.753 175.482 176.300 -0.107 0.000 1.014 327 D CA -0.461 53.428 54.000 -0.185 0.000 0.919 327 D CB 2.211 42.950 40.800 -0.101 0.000 1.366 327 D HN 0.265 nan 8.370 nan 0.000 0.490 328 D N 1.284 121.603 120.400 -0.136 0.000 2.487 328 D HA -0.062 4.578 4.640 0.000 0.000 0.243 328 D C 1.211 177.423 176.300 -0.146 0.000 1.154 328 D CA 0.424 54.324 54.000 -0.166 0.000 0.876 328 D CB 1.225 41.867 40.800 -0.263 0.000 1.161 328 D HN 0.496 nan 8.370 nan 0.000 0.478 329 E N 2.189 122.328 120.200 -0.101 0.000 2.097 329 E HA -0.233 4.117 4.350 0.000 0.000 0.196 329 E C 1.145 177.639 176.600 -0.178 0.000 1.000 329 E CA 1.332 57.691 56.400 -0.069 0.000 0.804 329 E CB 0.226 29.935 29.700 0.014 0.000 0.740 329 E HN 0.558 nan 8.360 nan 0.000 0.454 330 D N -0.086 120.125 120.400 -0.315 0.000 2.312 330 D HA -0.125 4.515 4.640 0.000 0.000 0.211 330 D C 1.819 177.972 176.300 -0.244 0.000 0.964 330 D CA 1.168 54.959 54.000 -0.349 0.000 0.877 330 D CB -0.105 40.198 40.800 -0.828 0.000 0.924 330 D HN 0.205 nan 8.370 nan 0.000 0.515 331 S N 0.001 115.557 115.700 -0.239 0.000 2.522 331 S HA 0.053 4.523 4.470 0.000 0.000 0.227 331 S C 1.094 175.606 174.600 -0.148 0.000 0.986 331 S CA -0.353 57.741 58.200 -0.177 0.000 0.929 331 S CB -0.372 62.725 63.200 -0.172 0.000 0.769 331 S HN 0.193 nan 8.310 nan 0.000 0.529 332 L N 2.937 124.075 121.223 -0.141 0.000 2.307 332 L HA 0.446 4.786 4.340 0.000 0.000 0.282 332 L C 0.636 177.443 176.870 -0.106 0.000 1.051 332 L CA -0.765 54.002 54.840 -0.122 0.000 0.804 332 L CB 1.565 43.584 42.059 -0.066 0.000 1.197 332 L HN 0.269 nan 8.230 nan 0.000 0.431 333 S N 0.788 116.432 115.700 -0.093 0.000 2.573 333 S HA -0.019 4.451 4.470 0.000 0.000 0.277 333 S C 1.197 175.777 174.600 -0.035 0.000 1.346 333 S CA -0.046 58.118 58.200 -0.060 0.000 1.034 333 S CB 1.442 64.615 63.200 -0.045 0.000 0.879 333 S HN 0.692 nan 8.310 nan 0.000 0.528 334 S N 2.527 118.202 115.700 -0.041 0.000 2.370 334 S HA -0.131 4.339 4.470 0.000 0.000 0.226 334 S C 2.140 176.756 174.600 0.027 0.000 1.033 334 S CA 1.418 59.593 58.200 -0.042 0.000 1.011 334 S CB -1.167 62.014 63.200 -0.032 0.000 0.852 334 S HN 1.018 nan 8.310 nan 0.000 0.457 335 A N -0.211 122.663 122.820 0.091 0.000 1.933 335 A HA -0.064 4.256 4.320 0.000 0.000 0.218 335 A C 2.024 179.775 177.584 0.279 0.000 1.175 335 A CA 1.693 53.858 52.037 0.214 0.000 0.628 335 A CB -1.067 18.119 19.000 0.309 0.000 0.814 335 A HN 0.767 nan 8.150 nan 0.000 0.444 336 Y N -0.361 119.908 120.300 -0.051 0.000 2.200 336 Y HA -0.058 4.492 4.550 0.000 0.000 0.290 336 Y C 2.000 177.918 175.900 0.030 0.000 1.137 336 Y CA 1.687 59.673 58.100 -0.189 0.000 1.163 336 Y CB -0.146 38.050 38.460 -0.440 0.000 0.988 336 Y HN 0.271 nan 8.280 nan 0.000 0.518 337 I N -0.358 120.199 120.570 -0.022 0.000 2.406 337 I HA -0.245 3.925 4.170 0.000 0.000 0.249 337 I C 1.924 178.020 176.117 -0.036 0.000 1.122 337 I CA 0.945 62.097 61.300 -0.247 0.000 1.431 337 I CB -0.150 37.580 38.000 -0.451 0.000 1.087 337 I HN 0.298 nan 8.210 nan 0.000 0.424 338 Q N 0.280 120.108 119.800 0.046 0.000 2.079 338 Q HA -0.223 4.117 4.340 0.000 0.000 0.200 338 Q C 2.221 178.323 176.000 0.169 0.000 0.974 338 Q CA 1.258 57.157 55.803 0.160 0.000 0.840 338 Q CB -0.435 28.368 28.738 0.108 0.000 0.898 338 Q HN 0.339 nan 8.270 nan 0.000 0.430 339 R N 0.542 121.135 120.500 0.154 0.000 2.092 339 R HA -0.048 4.292 4.340 0.000 0.000 0.231 339 R C 2.047 178.434 176.300 0.146 0.000 1.119 339 R CA 1.022 57.223 56.100 0.168 0.000 0.970 339 R CB -0.599 29.887 30.300 0.309 0.000 0.864 339 R HN 0.069 nan 8.270 nan 0.000 0.440 340 V N 1.248 121.220 119.914 0.096 0.000 2.427 340 V HA -0.179 3.941 4.120 0.000 0.000 0.248 340 V C 2.030 178.247 176.094 0.206 0.000 1.051 340 V CA 2.003 64.390 62.300 0.145 0.000 1.048 340 V CB -0.836 31.072 31.823 0.142 0.000 0.666 340 V HN 0.437 nan 8.190 nan 0.000 0.456 341 N N 0.380 119.241 118.700 0.269 0.000 2.104 341 N HA -0.177 4.563 4.740 0.000 0.000 0.190 341 N C 1.784 177.329 175.510 0.058 0.000 1.024 341 N CA 2.151 55.316 53.050 0.191 0.000 0.853 341 N CB -0.296 38.332 38.487 0.236 0.000 1.008 341 N HN 0.460 nan 8.380 nan 0.000 0.424 342 T N 0.656 115.246 114.554 0.061 0.000 2.746 342 T HA -0.086 4.264 4.350 0.000 0.000 0.267 342 T C 1.378 176.043 174.700 -0.058 0.000 1.039 342 T CA 1.099 63.185 62.100 -0.023 0.000 1.142 342 T CB -0.247 68.624 68.868 0.005 0.000 0.866 342 T HN 0.283 nan 8.240 nan 0.000 0.444 343 E N 0.887 121.090 120.200 0.004 0.000 2.153 343 E HA -0.036 4.314 4.350 0.000 0.000 0.194 343 E C 2.136 178.694 176.600 -0.070 0.000 0.988 343 E CA 0.588 56.981 56.400 -0.011 0.000 0.811 343 E CB -0.332 29.398 29.700 0.050 0.000 0.746 343 E HN 0.309 nan 8.360 nan 0.000 0.466 344 L N 0.294 121.488 121.223 -0.048 0.000 2.093 344 L HA -0.036 4.304 4.340 0.000 0.000 0.208 344 L C 2.339 179.090 176.870 -0.198 0.000 1.085 344 L CA 1.333 56.132 54.840 -0.068 0.000 0.755 344 L CB -0.822 41.221 42.059 -0.026 0.000 0.904 344 L HN 0.148 nan 8.230 nan 0.000 0.435 345 M N -1.086 118.321 119.600 -0.322 0.000 2.159 345 M HA -0.218 4.262 4.480 0.000 0.000 0.263 345 M C 2.101 178.233 176.300 -0.281 0.000 1.063 345 M CA 1.458 56.450 55.300 -0.514 0.000 1.110 345 M CB -0.295 31.942 32.600 -0.604 0.000 1.374 345 M HN 0.173 nan 8.290 nan 0.000 0.411 346 K N 0.257 120.544 120.400 -0.188 0.000 2.097 346 K HA -0.094 4.226 4.320 0.000 0.000 0.206 346 K C 2.077 178.600 176.600 -0.128 0.000 1.049 346 K CA 1.500 57.709 56.287 -0.129 0.000 0.933 346 K CB -0.280 32.160 32.500 -0.099 0.000 0.717 346 K HN 0.292 nan 8.250 nan 0.000 0.442 347 A N 1.707 124.438 122.820 -0.147 0.000 1.898 347 A HA -0.032 4.288 4.320 0.000 0.000 0.216 347 A C 2.426 179.937 177.584 -0.120 0.000 1.181 347 A CA 1.600 53.549 52.037 -0.147 0.000 0.620 347 A CB -0.568 18.339 19.000 -0.155 0.000 0.819 347 A HN 0.306 nan 8.150 nan 0.000 0.442 348 A N -0.057 122.692 122.820 -0.118 0.000 1.933 348 A HA 0.161 4.481 4.320 0.000 0.000 0.218 348 A C 2.429 180.000 177.584 -0.022 0.000 1.175 348 A CA 1.945 53.954 52.037 -0.047 0.000 0.628 348 A CB -0.898 18.049 19.000 -0.089 0.000 0.814 348 A HN 1.057 nan 8.150 nan 0.000 0.444 349 A N -0.355 122.441 122.820 -0.040 0.000 2.019 349 A HA -0.106 4.215 4.320 0.000 0.000 0.219 349 A C 2.092 179.713 177.584 0.063 0.000 1.164 349 A CA 1.356 53.414 52.037 0.036 0.000 0.644 349 A CB -0.319 18.677 19.000 -0.008 0.000 0.805 349 A HN 0.546 nan 8.150 nan 0.000 0.449 350 R N -1.465 118.996 120.500 -0.066 0.000 2.334 350 R HA 0.261 4.601 4.340 0.000 0.000 0.216 350 R C 1.075 177.154 176.300 -0.367 0.000 0.905 350 R CA 0.467 56.509 56.100 -0.097 0.000 1.064 350 R CB 0.070 30.322 30.300 -0.080 0.000 1.046 350 R HN 0.604 nan 8.270 nan 0.000 0.508 351 G N 1.221 109.572 108.800 -0.750 0.000 2.160 351 G HA2 -0.241 3.719 3.960 0.000 0.000 0.251 351 G HA3 -0.241 3.719 3.960 0.000 0.000 0.251 351 G C -0.273 174.339 174.900 -0.479 0.000 1.008 351 G CA -0.315 43.958 45.100 -1.378 0.000 0.724 351 G HN 0.039 nan 8.290 nan 0.000 0.514 352 L N 1.249 122.339 121.223 -0.221 0.000 2.349 352 L HA 0.506 4.846 4.340 0.000 0.000 0.275 352 L C 0.956 177.850 176.870 0.040 0.000 1.115 352 L CA 0.175 54.997 54.840 -0.031 0.000 0.820 352 L CB 1.229 43.253 42.059 -0.058 0.000 1.135 352 L HN 0.129 nan 8.230 nan 0.000 0.445 353 T N 4.722 119.354 114.554 0.130 0.000 2.753 353 T HA 0.511 4.861 4.350 0.000 0.000 0.297 353 T C -0.290 174.542 174.700 0.220 0.000 0.981 353 T CA -0.390 61.816 62.100 0.177 0.000 0.956 353 T CB 0.402 69.370 68.868 0.166 0.000 0.936 353 T HN 0.074 nan 8.240 nan 0.000 0.463 354 L N 4.699 126.060 121.223 0.229 0.000 2.287 354 L HA 0.571 4.911 4.340 0.000 0.000 0.287 354 L C -0.636 176.391 176.870 0.262 0.000 1.022 354 L CA -0.401 54.593 54.840 0.257 0.000 0.814 354 L CB 1.119 43.370 42.059 0.319 0.000 1.217 354 L HN 0.522 nan 8.230 nan 0.000 0.420 355 L N 4.272 125.580 121.223 0.142 0.000 2.346 355 L HA 0.604 4.944 4.340 0.000 0.000 0.276 355 L C -0.842 175.983 176.870 -0.075 0.000 1.006 355 L CA -0.080 54.825 54.840 0.108 0.000 0.817 355 L CB 1.472 43.575 42.059 0.074 0.000 1.272 355 L HN 0.257 nan 8.230 nan 0.000 0.421 356 F N 1.109 121.056 119.950 -0.006 0.000 2.540 356 F HA 0.713 5.240 4.527 0.000 0.000 0.317 356 F C 0.493 176.254 175.800 -0.065 0.000 1.104 356 F CA -0.942 57.032 58.000 -0.044 0.000 0.913 356 F CB 1.847 40.783 39.000 -0.106 0.000 1.170 356 F HN 0.523 nan 8.300 nan 0.000 0.450 357 A N 1.148 124.018 122.820 0.084 0.000 2.511 357 A HA 0.281 4.601 4.320 0.000 0.000 0.242 357 A C 1.078 178.679 177.584 0.028 0.000 1.069 357 A CA 0.362 52.418 52.037 0.032 0.000 0.763 357 A CB 0.029 19.029 19.000 -0.001 0.000 1.001 357 A HN 0.946 nan 8.150 nan 0.000 0.498 358 S N 1.958 117.672 115.700 0.024 0.000 2.603 358 S HA 0.434 4.904 4.470 0.000 0.000 0.220 358 S C 0.999 175.640 174.600 0.069 0.000 0.967 358 S CA 0.652 58.885 58.200 0.055 0.000 0.920 358 S CB -0.978 62.308 63.200 0.144 0.000 0.773 358 S HN 2.668 nan 8.310 nan 0.000 0.529 359 G N 0.649 109.458 108.800 0.016 0.000 2.661 359 G HA2 -0.030 3.930 3.960 0.000 0.000 0.685 359 G HA3 -0.030 3.930 3.960 0.000 0.000 0.685 359 G C -1.008 173.881 174.900 -0.019 0.000 1.298 359 G CA -0.187 44.908 45.100 -0.008 0.000 0.855 359 G HN 0.242 nan 8.290 nan 0.000 0.560 360 D N -0.144 120.230 120.400 -0.043 0.000 2.650 360 D HA 0.384 5.024 4.640 0.000 0.000 0.265 360 D C 0.945 177.196 176.300 -0.082 0.000 1.339 360 D CA 0.532 54.500 54.000 -0.054 0.000 0.816 360 D CB 0.642 41.414 40.800 -0.047 0.000 1.091 360 D HN 0.336 nan 8.370 nan 0.000 0.483 361 S N -0.188 115.447 115.700 -0.109 0.000 2.902 361 S HA 0.463 4.933 4.470 0.000 0.000 0.250 361 S C 1.089 175.527 174.600 -0.270 0.000 1.046 361 S CA -0.189 57.915 58.200 -0.160 0.000 1.069 361 S CB 1.397 64.527 63.200 -0.118 0.000 0.967 361 S HN 0.441 nan 8.310 nan 0.000 0.530 362 G N 2.772 111.385 108.800 -0.311 0.000 2.634 362 G HA2 -0.320 3.640 3.960 0.000 0.000 0.309 362 G HA3 -0.320 3.640 3.960 0.000 0.000 0.309 362 G C 1.104 175.597 174.900 -0.678 0.000 1.265 362 G CA 0.285 45.026 45.100 -0.599 0.000 0.998 362 G HN 0.942 nan 8.290 nan 0.000 0.551 363 A N 0.366 122.498 122.820 -1.147 0.000 2.168 363 A HA 0.541 4.861 4.320 0.000 0.000 0.215 363 A C 2.391 179.797 177.584 -0.298 0.000 1.152 363 A CA 1.975 53.570 52.037 -0.736 0.000 0.716 363 A CB -0.949 17.177 19.000 -1.457 0.000 0.794 363 A HN 2.952 nan 8.150 nan 0.000 0.465 364 G N -2.372 106.271 108.800 -0.262 0.000 2.760 364 G HA2 -0.026 3.934 3.960 0.000 0.000 0.246 364 G HA3 -0.026 3.934 3.960 0.000 0.000 0.246 364 G C -0.361 174.570 174.900 0.052 0.000 1.359 364 G CA -0.259 44.798 45.100 -0.072 0.000 0.861 364 G HN 1.517 nan 8.290 nan 0.000 0.541 365 c N -0.317 118.330 118.600 0.078 0.000 2.607 365 c HA 0.732 5.302 4.570 0.000 0.000 0.350 365 c C -1.401 172.780 174.090 0.152 0.000 1.101 365 c CA -0.520 55.876 56.329 0.111 0.000 1.282 365 c CB 0.767 43.280 42.510 0.005 0.000 1.825 365 c HN 1.296 nan 8.230 nan 0.000 0.460 366 W N 5.084 126.339 121.300 -0.075 0.000 2.587 366 W HA 0.566 5.226 4.660 0.000 0.000 0.324 366 W C -0.804 175.645 176.519 -0.117 0.000 1.008 366 W CA -0.608 56.691 57.345 -0.077 0.000 1.265 366 W CB 1.786 31.237 29.460 -0.016 0.000 1.328 366 W HN 0.646 nan 8.180 nan 0.000 0.432 367 S N 4.648 120.367 115.700 0.032 0.000 2.409 367 S HA 0.275 4.745 4.470 0.000 0.000 0.308 367 S C 0.762 175.208 174.600 -0.257 0.000 1.080 367 S CA -0.583 57.569 58.200 -0.080 0.000 1.081 367 S CB 0.945 64.166 63.200 0.035 0.000 1.009 367 S HN 0.333 nan 8.310 nan 0.000 0.502 368 V N 3.315 122.911 119.914 -0.531 0.000 2.337 368 V HA -0.046 4.074 4.120 0.000 0.000 0.182 368 V C 1.988 177.910 176.094 -0.287 0.000 1.020 368 V CA 0.980 62.901 62.300 -0.631 0.000 1.223 368 V CB -0.722 30.606 31.823 -0.825 0.000 0.750 368 V HN 0.744 nan 8.190 nan 0.000 0.463 369 S N 0.834 116.377 115.700 -0.261 0.000 2.341 369 S HA 0.011 4.481 4.470 0.000 0.000 0.204 369 S C 1.410 175.936 174.600 -0.123 0.000 1.038 369 S CA 1.173 59.276 58.200 -0.160 0.000 1.013 369 S CB -0.714 62.394 63.200 -0.153 0.000 0.994 369 S HN 0.792 nan 8.310 nan 0.000 0.430 370 G N 1.066 109.788 108.800 -0.131 0.000 3.651 370 G HA2 0.435 4.395 3.960 0.000 0.000 0.279 370 G HA3 0.435 4.395 3.960 0.000 0.000 0.279 370 G C 0.119 174.938 174.900 -0.136 0.000 1.024 370 G CA -0.401 44.633 45.100 -0.110 0.000 0.813 370 G HN 0.230 nan 8.290 nan 0.000 0.518 371 R N -0.773 119.634 120.500 -0.155 0.000 2.885 371 R HA 0.543 4.883 4.340 0.000 0.000 0.260 371 R C -1.213 175.041 176.300 -0.077 0.000 1.107 371 R CA -0.907 55.081 56.100 -0.187 0.000 0.978 371 R CB 1.339 31.488 30.300 -0.253 0.000 1.227 371 R HN 0.227 nan 8.270 nan 0.000 0.473 372 H N 0.587 119.423 119.070 -0.390 0.000 2.489 372 H HA 0.337 4.893 4.556 0.000 0.000 0.343 372 H C -0.707 174.138 175.328 -0.804 0.000 1.086 372 H CA -0.788 55.002 56.048 -0.430 0.000 1.198 372 H CB 2.098 31.706 29.762 -0.256 0.000 1.490 372 H HN 0.308 nan 8.280 nan 0.000 0.504 373 Q N 1.735 121.321 119.800 -0.356 0.000 2.501 373 Q HA 0.280 4.620 4.340 0.000 0.000 0.288 373 Q C -0.988 175.139 176.000 0.213 0.000 1.051 373 Q CA -1.089 54.541 55.803 -0.289 0.000 0.788 373 Q CB 2.045 30.685 28.738 -0.163 0.000 1.469 373 Q HN 0.333 nan 8.270 nan 0.000 0.416 374 F N 0.984 121.108 119.950 0.291 0.000 2.535 374 F HA 0.204 4.732 4.527 0.000 0.000 0.332 374 F C 0.714 176.697 175.800 0.305 0.000 1.208 374 F CA -0.137 58.028 58.000 0.274 0.000 1.330 374 F CB 0.255 39.419 39.000 0.273 0.000 1.167 374 F HN 0.347 nan 8.300 nan 0.000 0.597 375 R N 2.094 122.835 120.500 0.402 0.000 2.487 375 R HA 0.364 4.704 4.340 0.000 0.000 0.288 375 R C -2.782 173.609 176.300 0.152 0.000 1.394 375 R CA -1.691 54.540 56.100 0.218 0.000 1.155 375 R CB 0.915 31.266 30.300 0.085 0.000 1.156 375 R HN 0.254 nan 8.270 nan 0.000 0.553 376 P HA 0.185 nan 4.420 nan 0.000 0.274 376 P C -0.686 176.714 177.300 0.167 0.000 1.246 376 P CA -0.235 63.034 63.100 0.282 0.000 0.795 376 P CB 1.089 33.016 31.700 0.377 0.000 1.006 377 T N 0.805 115.489 114.554 0.218 0.000 2.908 377 T HA 0.630 4.980 4.350 0.000 0.000 0.290 377 T C -1.551 173.182 174.700 0.055 0.000 1.034 377 T CA -0.198 61.944 62.100 0.070 0.000 1.010 377 T CB 0.428 69.308 68.868 0.020 0.000 1.068 377 T HN 0.239 nan 8.240 nan 0.000 0.481 378 F N 4.396 124.265 119.950 -0.136 0.000 2.562 378 F HA 0.550 5.077 4.527 0.000 0.000 0.319 378 F C -2.650 173.020 175.800 -0.215 0.000 1.154 378 F CA -2.078 55.828 58.000 -0.156 0.000 0.931 378 F CB 2.598 41.582 39.000 -0.027 0.000 1.198 378 F HN 0.360 nan 8.300 nan 0.000 0.444 379 P HA 0.266 nan 4.420 nan 0.000 0.289 379 P C 1.002 177.595 177.300 -1.179 0.000 1.303 379 P CA 0.622 62.485 63.100 -2.061 0.000 0.946 379 P CB 0.926 31.456 31.700 -1.950 0.000 1.454 380 A N 0.981 123.332 122.820 -0.782 0.000 1.971 380 A HA -0.265 4.055 4.320 0.000 0.000 0.222 380 A C 2.145 179.274 177.584 -0.759 0.000 1.182 380 A CA 2.726 54.362 52.037 -0.669 0.000 0.649 380 A CB -1.551 17.044 19.000 -0.674 0.000 0.818 380 A HN 0.347 nan 8.150 nan 0.000 0.458 381 S N -0.872 114.523 115.700 -0.508 0.000 2.562 381 S HA 0.138 4.609 4.470 0.000 0.000 0.221 381 S C 0.998 175.610 174.600 0.020 0.000 0.975 381 S CA 0.544 58.684 58.200 -0.099 0.000 0.918 381 S CB -0.616 62.765 63.200 0.301 0.000 0.772 381 S HN 0.572 nan 8.310 nan 0.000 0.531 382 S N 3.193 118.783 115.700 -0.184 0.000 2.549 382 S HA 0.215 4.685 4.470 0.000 0.000 0.286 382 S C -1.783 172.609 174.600 -0.346 0.000 1.314 382 S CA -1.109 56.859 58.200 -0.386 0.000 1.062 382 S CB 0.766 63.712 63.200 -0.423 0.000 0.865 382 S HN 0.173 nan 8.310 nan 0.000 0.498 383 P HA 0.111 nan 4.420 nan 0.000 0.241 383 P C -0.378 176.670 177.300 -0.420 0.000 1.191 383 P CA 0.637 63.516 63.100 -0.369 0.000 0.771 383 P CB -0.065 31.312 31.700 -0.538 0.000 0.929 384 Y N -1.405 118.713 120.300 -0.303 0.000 2.658 384 Y HA 0.327 4.877 4.550 0.000 0.000 0.276 384 Y C 0.706 176.302 175.900 -0.506 0.000 1.167 384 Y CA -0.372 57.312 58.100 -0.694 0.000 1.230 384 Y CB 0.408 38.506 38.460 -0.603 0.000 1.144 384 Y HN -0.265 nan 8.280 nan 0.000 0.529 385 V N -0.380 119.495 119.914 -0.065 0.000 3.040 385 V HA 0.418 4.538 4.120 0.000 0.000 0.312 385 V C -0.238 175.994 176.094 0.230 0.000 1.115 385 V CA -0.761 61.602 62.300 0.105 0.000 0.998 385 V CB 2.553 34.356 31.823 -0.034 0.000 1.042 385 V HN 0.091 nan 8.190 nan 0.000 0.433 386 T N 2.605 117.315 114.554 0.259 0.000 2.738 386 T HA 0.350 4.700 4.350 0.000 0.000 0.298 386 T C -0.122 174.645 174.700 0.111 0.000 0.962 386 T CA -0.110 62.098 62.100 0.179 0.000 0.972 386 T CB 0.549 69.490 68.868 0.122 0.000 0.928 386 T HN 0.701 nan 8.240 nan 0.000 0.474 387 T N 3.530 118.132 114.554 0.080 0.000 2.767 387 T HA 0.447 4.797 4.350 0.000 0.000 0.288 387 T C 0.081 174.777 174.700 -0.007 0.000 0.963 387 T CA -0.532 61.593 62.100 0.042 0.000 1.019 387 T CB 0.865 69.730 68.868 -0.006 0.000 0.923 387 T HN 0.302 nan 8.240 nan 0.000 0.468 388 V N 3.439 123.339 119.914 -0.023 0.000 2.384 388 V HA 0.653 4.773 4.120 0.000 0.000 0.287 388 V C 0.908 176.997 176.094 -0.010 0.000 1.020 388 V CA -0.686 61.574 62.300 -0.066 0.000 0.850 388 V CB 1.282 33.060 31.823 -0.075 0.000 0.987 388 V HN 1.016 nan 8.190 nan 0.000 0.436 389 G N 3.066 111.857 108.800 -0.015 0.000 2.543 389 G HA2 0.694 4.654 3.960 0.000 0.000 0.267 389 G HA3 0.694 4.654 3.960 0.000 0.000 0.267 389 G C -0.046 174.859 174.900 0.009 0.000 1.406 389 G CA -0.266 44.832 45.100 -0.003 0.000 1.048 389 G HN 1.049 nan 8.290 nan 0.000 0.548 390 G N -1.585 107.219 108.800 0.007 0.000 2.643 390 G HA2 0.525 4.485 3.960 0.000 0.000 0.305 390 G HA3 0.525 4.485 3.960 0.000 0.000 0.305 390 G C -1.118 173.801 174.900 0.031 0.000 1.387 390 G CA -0.153 44.961 45.100 0.023 0.000 0.982 390 G HN 0.589 nan 8.290 nan 0.000 0.501 391 T N -0.110 114.470 114.554 0.043 0.000 2.907 391 T HA 0.767 5.117 4.350 0.000 0.000 0.292 391 T C -0.524 174.168 174.700 -0.014 0.000 1.043 391 T CA -0.409 61.707 62.100 0.028 0.000 1.003 391 T CB 1.818 70.716 68.868 0.050 0.000 1.084 391 T HN 0.795 nan 8.240 nan 0.000 0.483 392 S N 1.508 117.190 115.700 -0.030 0.000 2.595 392 S HA 0.730 5.200 4.470 0.000 0.000 0.281 392 S C -1.288 173.270 174.600 -0.069 0.000 1.117 392 S CA -0.683 57.498 58.200 -0.032 0.000 0.873 392 S CB 0.672 63.940 63.200 0.112 0.000 1.108 392 S HN 0.537 nan 8.310 nan 0.000 0.477 393 F N 2.272 122.254 119.950 0.052 0.000 2.418 393 F HA 0.286 4.813 4.527 0.000 0.000 0.341 393 F C 1.841 177.609 175.800 -0.053 0.000 1.120 393 F CA -0.091 57.896 58.000 -0.022 0.000 1.232 393 F CB 1.076 40.040 39.000 -0.060 0.000 1.175 393 F HN 0.799 nan 8.300 nan 0.000 0.569 394 Q N 1.661 121.578 119.800 0.196 0.000 2.089 394 Q HA -0.049 4.291 4.340 0.000 0.000 0.195 394 Q C -0.149 175.850 176.000 -0.001 0.000 0.963 394 Q CA 0.851 56.703 55.803 0.080 0.000 0.834 394 Q CB 0.236 29.029 28.738 0.091 0.000 0.906 394 Q HN 0.725 nan 8.270 nan 0.000 0.452 395 E N -0.435 119.760 120.200 -0.008 0.000 2.227 395 E HA 0.205 4.555 4.350 0.000 0.000 0.268 395 E C -2.187 174.356 176.600 -0.096 0.000 0.990 395 E CA -2.151 54.224 56.400 -0.041 0.000 0.856 395 E CB 1.044 30.738 29.700 -0.010 0.000 1.159 395 E HN -0.008 nan 8.360 nan 0.000 0.401 396 P HA -0.053 nan 4.420 nan 0.000 0.216 396 P C 0.358 177.576 177.300 -0.137 0.000 1.153 396 P CA 1.101 64.141 63.100 -0.100 0.000 0.844 396 P CB 0.093 31.816 31.700 0.037 0.000 0.787 397 F N -2.092 117.804 119.950 -0.089 0.000 2.706 397 F HA 0.191 4.718 4.527 0.000 0.000 0.308 397 F C 0.516 176.222 175.800 -0.157 0.000 1.095 397 F CA -0.088 57.858 58.000 -0.090 0.000 1.244 397 F CB 0.680 39.647 39.000 -0.055 0.000 1.063 397 F HN -0.272 nan 8.300 nan 0.000 0.582 398 L N 0.684 121.868 121.223 -0.065 0.000 2.341 398 L HA 0.400 4.740 4.340 0.000 0.000 0.267 398 L C 0.640 177.229 176.870 -0.470 0.000 1.009 398 L CA -0.504 54.229 54.840 -0.179 0.000 0.819 398 L CB 1.520 43.526 42.059 -0.088 0.000 1.323 398 L HN 0.071 nan 8.230 nan 0.000 0.425 399 I N -2.759 117.469 120.570 -0.570 0.000 3.889 399 I HA 0.152 4.322 4.170 0.000 0.000 0.332 399 I C 0.922 176.844 176.117 -0.326 0.000 1.493 399 I CA 0.026 60.715 61.300 -1.017 0.000 1.158 399 I CB 0.318 37.776 38.000 -0.905 0.000 1.117 399 I HN 0.514 nan 8.210 nan 0.000 0.411 400 T N 0.934 115.381 114.554 -0.179 0.000 2.915 400 T HA -0.007 4.344 4.350 0.000 0.000 0.269 400 T C 0.803 175.487 174.700 -0.026 0.000 1.071 400 T CA 1.106 63.167 62.100 -0.064 0.000 1.132 400 T CB -0.349 68.500 68.868 -0.032 0.000 0.878 400 T HN 0.509 nan 8.240 nan 0.000 0.479 401 N N 0.523 119.251 118.700 0.046 0.000 2.367 401 N HA 0.205 4.945 4.740 0.000 0.000 0.278 401 N C -1.854 173.742 175.510 0.142 0.000 1.117 401 N CA -0.287 52.790 53.050 0.045 0.000 0.867 401 N CB 2.413 40.966 38.487 0.109 0.000 1.649 401 N HN 0.167 nan 8.380 nan 0.000 0.479 402 E N 1.266 121.487 120.200 0.035 0.000 2.214 402 E HA 0.541 4.891 4.350 0.000 0.000 0.274 402 E C -0.704 176.002 176.600 0.176 0.000 0.977 402 E CA -0.632 55.814 56.400 0.076 0.000 0.827 402 E CB 2.048 31.761 29.700 0.022 0.000 1.130 402 E HN 0.344 nan 8.360 nan 0.000 0.394 403 I N 1.251 121.890 120.570 0.116 0.000 3.042 403 I HA 0.172 4.342 4.170 0.000 0.000 0.310 403 I C -0.757 175.408 176.117 0.081 0.000 1.117 403 I CA -1.028 60.338 61.300 0.109 0.000 1.003 403 I CB 2.045 40.104 38.000 0.098 0.000 1.228 403 I HN 0.329 nan 8.210 nan 0.000 0.443 404 V N 1.663 121.615 119.914 0.064 0.000 2.811 404 V HA 0.319 4.439 4.120 0.000 0.000 0.302 404 V C -0.229 175.911 176.094 0.077 0.000 1.063 404 V CA -0.298 62.028 62.300 0.044 0.000 1.088 404 V CB 1.057 32.881 31.823 0.002 0.000 0.982 404 V HN 0.729 nan 8.190 nan 0.000 0.485 405 D N 3.543 123.986 120.400 0.072 0.000 2.316 405 D HA 0.137 4.777 4.640 0.000 0.000 0.245 405 D C 0.557 176.939 176.300 0.135 0.000 1.171 405 D CA -0.156 53.905 54.000 0.101 0.000 0.856 405 D CB 0.675 41.518 40.800 0.071 0.000 1.090 405 D HN 0.726 nan 8.370 nan 0.000 0.476 406 Y N 4.506 124.819 120.300 0.022 0.000 2.181 406 Y HA -0.298 4.252 4.550 0.000 0.000 0.279 406 Y C 1.756 177.673 175.900 0.028 0.000 1.228 406 Y CA 2.206 60.320 58.100 0.024 0.000 1.164 406 Y CB -0.273 38.188 38.460 0.001 0.000 0.959 406 Y HN 0.647 nan 8.280 nan 0.000 0.521 407 I N -2.695 117.889 120.570 0.022 0.000 3.793 407 I HA 0.138 4.308 4.170 0.000 0.000 0.315 407 I C 1.098 177.184 176.117 -0.052 0.000 1.275 407 I CA 0.412 61.664 61.300 -0.081 0.000 1.214 407 I CB -0.446 37.542 38.000 -0.020 0.000 1.018 407 I HN 0.034 nan 8.210 nan 0.000 0.439 408 S N 2.559 118.264 115.700 0.009 0.000 2.555 408 S HA 0.279 4.749 4.470 0.000 0.000 0.293 408 S C 0.868 175.524 174.600 0.093 0.000 1.248 408 S CA -0.029 58.192 58.200 0.035 0.000 1.096 408 S CB -0.374 62.838 63.200 0.020 0.000 0.881 408 S HN 0.579 nan 8.310 nan 0.000 0.498 409 G N 3.319 112.159 108.800 0.066 0.000 2.491 409 G HA2 0.544 4.504 3.960 0.000 0.000 0.242 409 G HA3 0.544 4.504 3.960 0.000 0.000 0.242 409 G C 0.276 175.282 174.900 0.176 0.000 1.266 409 G CA -0.009 45.155 45.100 0.108 0.000 0.844 409 G HN 1.108 nan 8.290 nan 0.000 0.571 410 G N -1.176 107.699 108.800 0.125 0.000 2.466 410 G HA2 0.831 4.791 3.960 0.000 0.000 0.291 410 G HA3 0.831 4.791 3.960 0.000 0.000 0.291 410 G C -0.299 174.338 174.900 -0.439 0.000 1.460 410 G CA 0.362 45.315 45.100 -0.246 0.000 0.791 410 G HN 2.013 nan 8.290 nan 0.000 0.505 411 G N -1.569 106.650 108.800 -0.968 0.000 2.356 411 G HA2 0.499 4.459 3.960 0.000 0.000 0.266 411 G HA3 0.499 4.459 3.960 0.000 0.000 0.266 411 G C -1.878 172.695 174.900 -0.545 0.000 1.312 411 G CA -0.699 44.171 45.100 -0.383 0.000 0.922 411 G HN 0.978 nan 8.290 nan 0.000 0.480 412 F N 1.134 121.118 119.950 0.057 0.000 2.493 412 F HA 0.671 5.198 4.527 0.000 0.000 0.329 412 F C 0.854 176.839 175.800 0.308 0.000 1.126 412 F CA -0.557 57.565 58.000 0.204 0.000 0.937 412 F CB 2.418 41.619 39.000 0.334 0.000 1.146 412 F HN 0.456 nan 8.300 nan 0.000 0.442 413 S N 1.720 117.687 115.700 0.444 0.000 2.558 413 S HA 0.035 4.505 4.470 0.000 0.000 0.288 413 S C 0.903 175.694 174.600 0.319 0.000 1.318 413 S CA -0.257 58.177 58.200 0.389 0.000 1.056 413 S CB 0.266 63.700 63.200 0.389 0.000 0.853 413 S HN 0.648 nan 8.310 nan 0.000 0.505 414 N N 2.834 121.674 118.700 0.233 0.000 2.236 414 N HA 0.110 4.850 4.740 0.000 0.000 0.196 414 N C 0.811 176.347 175.510 0.042 0.000 1.114 414 N CA 0.270 53.418 53.050 0.163 0.000 0.859 414 N CB 0.565 39.164 38.487 0.187 0.000 0.982 414 N HN 0.347 nan 8.380 nan 0.000 0.493 415 V N -0.485 119.408 119.914 -0.036 0.000 2.911 415 V HA 0.260 4.380 4.120 0.000 0.000 0.237 415 V C -0.183 175.675 176.094 -0.393 0.000 1.156 415 V CA 0.535 62.651 62.300 -0.306 0.000 1.180 415 V CB 0.286 31.750 31.823 -0.599 0.000 0.932 415 V HN -0.096 nan 8.190 nan 0.000 0.483 416 F N 2.579 122.567 119.950 0.063 0.000 2.420 416 F HA 0.601 5.128 4.527 0.000 0.000 0.342 416 F C -2.237 173.590 175.800 0.045 0.000 1.113 416 F CA -3.082 54.946 58.000 0.047 0.000 1.059 416 F CB 0.921 39.950 39.000 0.049 0.000 1.128 416 F HN -0.008 nan 8.300 nan 0.000 0.475 417 P HA 0.183 nan 4.420 nan 0.000 0.278 417 P C -0.642 176.688 177.300 0.050 0.000 1.258 417 P CA -0.822 62.345 63.100 0.112 0.000 0.811 417 P CB 0.848 32.590 31.700 0.071 0.000 1.063 418 R N 2.188 122.700 120.500 0.019 0.000 2.485 418 R HA 0.045 4.385 4.340 0.000 0.000 0.304 418 R C -1.851 174.331 176.300 -0.197 0.000 0.934 418 R CA -0.581 55.463 56.100 -0.093 0.000 1.102 418 R CB -0.700 29.566 30.300 -0.058 0.000 0.906 418 R HN 0.365 nan 8.270 nan 0.000 0.407 419 P HA 0.057 nan 4.420 nan 0.000 0.278 419 P C 0.106 177.094 177.300 -0.520 0.000 1.238 419 P CA -0.391 62.410 63.100 -0.497 0.000 0.794 419 P CB 1.623 32.797 31.700 -0.877 0.000 0.955 420 S N 2.347 117.878 115.700 -0.281 0.000 2.387 420 S HA -0.292 4.178 4.470 0.000 0.000 0.230 420 S C 1.875 176.371 174.600 -0.174 0.000 1.035 420 S CA 1.520 59.621 58.200 -0.164 0.000 1.014 420 S CB -1.939 61.231 63.200 -0.049 0.000 0.836 420 S HN 0.643 nan 8.310 nan 0.000 0.466 421 Y N 2.469 122.687 120.300 -0.137 0.000 2.465 421 Y HA -0.059 4.491 4.550 0.000 0.000 0.289 421 Y C 2.161 177.868 175.900 -0.322 0.000 1.150 421 Y CA 0.862 58.853 58.100 -0.182 0.000 1.293 421 Y CB -0.695 37.654 38.460 -0.186 0.000 0.977 421 Y HN 0.592 nan 8.280 nan 0.000 0.556 422 Q N 0.126 119.621 119.800 -0.509 0.000 2.171 422 Q HA 0.105 4.445 4.340 0.000 0.000 0.218 422 Q C 1.208 177.021 176.000 -0.310 0.000 0.822 422 Q CA 0.239 55.718 55.803 -0.539 0.000 0.987 422 Q CB 0.170 28.334 28.738 -0.955 0.000 1.144 422 Q HN 0.375 nan 8.270 nan 0.000 0.494 423 E N 2.345 122.423 120.200 -0.204 0.000 2.097 423 E HA -0.267 4.083 4.350 0.000 0.000 0.196 423 E C 1.752 178.330 176.600 -0.037 0.000 1.000 423 E CA 2.017 58.353 56.400 -0.106 0.000 0.804 423 E CB 0.045 29.709 29.700 -0.060 0.000 0.740 423 E HN 0.568 nan 8.360 nan 0.000 0.454 424 E N -0.853 119.359 120.200 0.019 0.000 2.072 424 E HA -0.149 4.201 4.350 0.000 0.000 0.190 424 E C 1.917 178.576 176.600 0.097 0.000 0.982 424 E CA 0.960 57.414 56.400 0.091 0.000 0.803 424 E CB -0.168 29.633 29.700 0.168 0.000 0.755 424 E HN 0.322 nan 8.360 nan 0.000 0.453 425 A N 0.578 123.437 122.820 0.065 0.000 1.897 425 A HA -0.087 4.233 4.320 0.000 0.000 0.215 425 A C 2.376 179.911 177.584 -0.081 0.000 1.181 425 A CA 1.197 53.236 52.037 0.004 0.000 0.620 425 A CB -0.516 18.384 19.000 -0.166 0.000 0.821 425 A HN 0.198 nan 8.150 nan 0.000 0.443 426 V N -0.352 119.396 119.914 -0.277 0.000 2.427 426 V HA -0.179 3.941 4.120 0.000 0.000 0.248 426 V C 2.664 178.867 176.094 0.182 0.000 1.051 426 V CA 2.319 64.544 62.300 -0.125 0.000 1.048 426 V CB -1.162 30.536 31.823 -0.208 0.000 0.666 426 V HN 0.569 nan 8.190 nan 0.000 0.456 427 T N -0.539 114.076 114.554 0.101 0.000 2.788 427 T HA -0.172 4.178 4.350 0.000 0.000 0.268 427 T C 1.976 176.760 174.700 0.140 0.000 1.044 427 T CA 1.248 63.420 62.100 0.118 0.000 1.139 427 T CB -0.162 68.750 68.868 0.074 0.000 0.867 427 T HN 0.424 nan 8.240 nan 0.000 0.454 428 K N 0.112 120.607 120.400 0.158 0.000 2.057 428 K HA -0.042 4.278 4.320 0.000 0.000 0.207 428 K C 2.024 178.744 176.600 0.200 0.000 1.049 428 K CA 1.151 57.536 56.287 0.164 0.000 0.931 428 K CB -0.316 32.293 32.500 0.183 0.000 0.714 428 K HN 0.338 nan 8.250 nan 0.000 0.440 429 F N 1.447 121.496 119.950 0.165 0.000 2.146 429 F HA -0.160 4.367 4.527 0.000 0.000 0.298 429 F C 1.760 177.664 175.800 0.174 0.000 1.096 429 F CA 0.893 59.012 58.000 0.198 0.000 1.275 429 F CB -0.082 39.132 39.000 0.357 0.000 1.008 429 F HN -0.129 nan 8.300 nan 0.000 0.480 430 L N 0.397 121.726 121.223 0.176 0.000 2.056 430 L HA -0.153 4.187 4.340 0.000 0.000 0.207 430 L C 2.782 179.642 176.870 -0.017 0.000 1.078 430 L CA 2.111 57.002 54.840 0.085 0.000 0.749 430 L CB -1.601 40.581 42.059 0.205 0.000 0.901 430 L HN 0.395 nan 8.230 nan 0.000 0.433 431 S N -2.445 113.264 115.700 0.014 0.000 2.470 431 S HA -0.026 4.444 4.470 0.000 0.000 0.225 431 S C 1.627 176.209 174.600 -0.030 0.000 1.006 431 S CA 0.638 58.840 58.200 0.003 0.000 0.934 431 S CB -0.213 63.004 63.200 0.029 0.000 0.778 431 S HN 0.456 nan 8.310 nan 0.000 0.517 432 S N 0.028 115.693 115.700 -0.059 0.000 2.666 432 S HA 0.351 4.821 4.470 0.000 0.000 0.239 432 S C 0.278 174.810 174.600 -0.114 0.000 1.031 432 S CA -0.321 57.845 58.200 -0.056 0.000 1.015 432 S CB 0.124 63.323 63.200 -0.002 0.000 0.981 432 S HN 0.290 nan 8.310 nan 0.000 0.547 433 S N 2.543 118.100 115.700 -0.238 0.000 2.513 433 S HA 0.529 4.999 4.470 0.000 0.000 0.276 433 S C -1.530 172.960 174.600 -0.184 0.000 1.254 433 S CA -1.263 56.764 58.200 -0.288 0.000 1.053 433 S CB 0.945 63.732 63.200 -0.689 0.000 0.958 433 S HN 0.217 nan 8.310 nan 0.000 0.491 434 P HA 0.046 nan 4.420 nan 0.000 0.212 434 P C -0.334 176.816 177.300 -0.249 0.000 1.179 434 P CA 1.072 64.011 63.100 -0.268 0.000 0.898 434 P CB -0.085 31.323 31.700 -0.486 0.000 0.775 435 H N -0.620 118.448 119.070 -0.004 0.000 3.001 435 H HA 0.226 4.782 4.556 0.000 0.000 0.248 435 H C -0.208 175.154 175.328 0.057 0.000 1.663 435 H CA -0.508 55.556 56.048 0.027 0.000 1.258 435 H CB -1.316 28.471 29.762 0.042 0.000 1.547 435 H HN -0.012 nan 8.280 nan 0.000 0.557 436 L N 2.962 124.246 121.223 0.102 0.000 2.281 436 L HA 0.295 4.635 4.340 0.000 0.000 0.285 436 L C -1.950 175.026 176.870 0.176 0.000 1.074 436 L CA -2.392 52.542 54.840 0.156 0.000 0.817 436 L CB 0.463 42.581 42.059 0.099 0.000 1.168 436 L HN 0.214 nan 8.230 nan 0.000 0.434 437 P HA 0.221 nan 4.420 nan 0.000 0.271 437 P C -2.594 174.796 177.300 0.151 0.000 1.244 437 P CA -1.163 61.999 63.100 0.104 0.000 0.793 437 P CB -0.456 31.269 31.700 0.041 0.000 0.984 438 P HA -0.063 nan 4.420 nan 0.000 0.261 438 P C 0.939 178.265 177.300 0.044 0.000 1.173 438 P CA 0.532 63.641 63.100 0.015 0.000 0.760 438 P CB 0.077 31.776 31.700 -0.001 0.000 0.783 439 S N 1.379 117.030 115.700 -0.083 0.000 2.474 439 S HA -0.144 4.326 4.470 0.000 0.000 0.235 439 S C 1.997 176.351 174.600 -0.411 0.000 0.997 439 S CA 1.215 59.156 58.200 -0.433 0.000 0.949 439 S CB -0.831 62.153 63.200 -0.361 0.000 0.766 439 S HN 0.422 nan 8.310 nan 0.000 0.517 440 S N 0.080 115.687 115.700 -0.156 0.000 2.400 440 S HA -0.102 4.368 4.470 0.000 0.000 0.232 440 S C 1.361 175.862 174.600 -0.164 0.000 1.025 440 S CA 0.943 59.064 58.200 -0.132 0.000 0.993 440 S CB -0.634 62.535 63.200 -0.053 0.000 0.808 440 S HN 0.713 nan 8.310 nan 0.000 0.478 441 Y N 0.937 121.055 120.300 -0.304 0.000 2.544 441 Y HA 0.285 4.835 4.550 0.000 0.000 0.286 441 Y C 0.554 176.331 175.900 -0.204 0.000 1.141 441 Y CA -0.190 57.654 58.100 -0.428 0.000 1.299 441 Y CB -0.019 37.842 38.460 -0.998 0.000 1.030 441 Y HN 0.497 nan 8.280 nan 0.000 0.543 442 F N -3.139 116.761 119.950 -0.084 0.000 2.745 442 F HA 0.501 5.028 4.527 0.000 0.000 0.316 442 F C -1.270 174.557 175.800 0.046 0.000 1.155 442 F CA -1.871 56.189 58.000 0.101 0.000 0.937 442 F CB 0.988 40.198 39.000 0.350 0.000 1.361 442 F HN -0.422 nan 8.300 nan 0.000 0.472 443 N N 0.807 119.633 118.700 0.210 0.000 2.518 443 N HA 0.479 5.219 4.740 0.000 0.000 0.254 443 N C 0.385 175.969 175.510 0.124 0.000 0.979 443 N CA 0.158 53.249 53.050 0.067 0.000 0.930 443 N CB 1.816 40.400 38.487 0.163 0.000 1.152 443 N HN 0.961 nan 8.380 nan 0.000 0.505 444 A N 2.220 124.999 122.820 -0.068 0.000 2.070 444 A HA -0.114 4.206 4.320 0.000 0.000 0.220 444 A C 1.728 179.417 177.584 0.175 0.000 1.159 444 A CA 1.706 53.718 52.037 -0.042 0.000 0.656 444 A CB -0.298 18.681 19.000 -0.035 0.000 0.800 444 A HN 0.669 nan 8.150 nan 0.000 0.453 445 S N -0.871 114.922 115.700 0.154 0.000 2.593 445 S HA 0.358 4.828 4.470 0.000 0.000 0.217 445 S C 0.933 175.655 174.600 0.202 0.000 0.966 445 S CA 0.196 58.485 58.200 0.150 0.000 0.914 445 S CB -0.404 62.844 63.200 0.081 0.000 0.776 445 S HN 0.618 nan 8.310 nan 0.000 0.523 446 G N 1.194 110.197 108.800 0.339 0.000 2.451 446 G HA2 0.437 4.397 3.960 0.000 0.000 0.303 446 G HA3 0.437 4.397 3.960 0.000 0.000 0.303 446 G C -0.378 174.689 174.900 0.278 0.000 1.166 446 G CA -1.019 44.278 45.100 0.329 0.000 0.884 446 G HN 0.297 nan 8.290 nan 0.000 0.514 447 R N 0.701 121.307 120.500 0.177 0.000 2.501 447 R HA 0.116 4.456 4.340 0.000 0.000 0.319 447 R C 0.186 176.495 176.300 0.015 0.000 0.913 447 R CA 0.293 56.429 56.100 0.060 0.000 1.104 447 R CB -0.460 29.903 30.300 0.105 0.000 0.901 447 R HN 0.508 nan 8.270 nan 0.000 0.407 448 A N 5.790 128.481 122.820 -0.214 0.000 2.309 448 A HA 0.529 4.849 4.320 0.000 0.000 0.298 448 A C -1.173 176.380 177.584 -0.052 0.000 1.165 448 A CA -0.546 51.166 52.037 -0.541 0.000 0.821 448 A CB 0.620 19.145 19.000 -0.791 0.000 1.102 448 A HN 0.774 nan 8.150 nan 0.000 0.500 449 Y N 0.490 120.687 120.300 -0.171 0.000 2.519 449 Y HA 0.811 5.361 4.550 0.000 0.000 0.336 449 Y C -3.469 172.340 175.900 -0.152 0.000 1.089 449 Y CA -2.641 55.443 58.100 -0.027 0.000 1.025 449 Y CB 1.583 40.038 38.460 -0.010 0.000 1.318 449 Y HN 0.478 nan 8.280 nan 0.000 0.452 450 P HA 0.447 nan 4.420 nan 0.000 0.296 450 P C -0.774 176.626 177.300 0.167 0.000 1.297 450 P CA -0.400 62.819 63.100 0.198 0.000 0.947 450 P CB 2.784 34.518 31.700 0.056 0.000 1.366 451 D N -1.318 119.189 120.400 0.179 0.000 2.380 451 D HA 0.133 4.773 4.640 0.000 0.000 0.212 451 D C 0.758 177.123 176.300 0.108 0.000 1.021 451 D CA 0.957 55.122 54.000 0.275 0.000 0.884 451 D CB 0.870 41.865 40.800 0.326 0.000 1.001 451 D HN 0.259 nan 8.370 nan 0.000 0.506 452 V N -2.759 117.126 119.914 -0.048 0.000 3.112 452 V HA 0.930 5.050 4.120 0.000 0.000 0.310 452 V C -1.462 174.570 176.094 -0.103 0.000 1.364 452 V CA -0.919 61.313 62.300 -0.114 0.000 1.058 452 V CB 1.757 33.281 31.823 -0.497 0.000 1.079 452 V HN 0.039 nan 8.190 nan 0.000 0.463 453 A N -0.497 122.333 122.820 0.017 0.000 2.581 453 A HA 1.135 5.455 4.320 0.000 0.000 0.290 453 A C -0.485 177.229 177.584 0.217 0.000 1.119 453 A CA -0.278 51.806 52.037 0.080 0.000 0.670 453 A CB 1.174 20.203 19.000 0.048 0.000 1.280 453 A HN 2.874 nan 8.150 nan 0.000 0.425 454 A N -0.548 122.380 122.820 0.180 0.000 2.586 454 A HA 0.652 4.972 4.320 0.000 0.000 0.290 454 A C -1.149 176.560 177.584 0.208 0.000 1.086 454 A CA -0.656 51.520 52.037 0.232 0.000 0.665 454 A CB 0.092 19.242 19.000 0.249 0.000 1.279 454 A HN 1.286 nan 8.150 nan 0.000 0.423 455 L N 1.437 122.818 121.223 0.265 0.000 2.578 455 L HA 0.090 4.430 4.340 0.000 0.000 0.279 455 L C 1.290 178.305 176.870 0.241 0.000 1.227 455 L CA 0.882 55.809 54.840 0.144 0.000 0.900 455 L CB 0.632 42.689 42.059 -0.004 0.000 1.144 455 L HN 0.888 nan 8.230 nan 0.000 0.496 456 S N -1.182 114.609 115.700 0.152 0.000 2.733 456 S HA 0.142 4.612 4.470 0.000 0.000 0.247 456 S C -0.144 174.514 174.600 0.097 0.000 1.043 456 S CA -0.626 57.600 58.200 0.044 0.000 1.066 456 S CB 0.296 63.493 63.200 -0.004 0.000 1.045 456 S HN 0.641 nan 8.310 nan 0.000 0.586 457 D N 1.120 121.645 120.400 0.207 0.000 2.425 457 D HA 0.541 5.181 4.640 0.000 0.000 0.240 457 D C 0.570 177.011 176.300 0.236 0.000 1.080 457 D CA 0.625 54.727 54.000 0.171 0.000 0.836 457 D CB 0.953 41.824 40.800 0.118 0.000 1.125 457 D HN 0.368 nan 8.370 nan 0.000 0.525 458 G N 2.783 111.737 108.800 0.256 0.000 2.203 458 G HA2 -0.249 3.711 3.960 0.000 0.000 0.231 458 G HA3 -0.249 3.711 3.960 0.000 0.000 0.231 458 G C -0.302 174.645 174.900 0.078 0.000 1.058 458 G CA -0.415 44.838 45.100 0.256 0.000 0.781 458 G HN 0.474 nan 8.290 nan 0.000 0.496 459 Y N -1.138 119.100 120.300 -0.103 0.000 2.359 459 Y HA 0.449 4.999 4.550 0.000 0.000 0.330 459 Y C 0.973 176.804 175.900 -0.115 0.000 1.143 459 Y CA -0.667 57.344 58.100 -0.148 0.000 1.318 459 Y CB 0.644 38.934 38.460 -0.284 0.000 1.234 459 Y HN 0.280 nan 8.280 nan 0.000 0.522 460 W N 3.350 124.696 121.300 0.077 0.000 2.316 460 W HA 0.525 5.185 4.660 0.000 0.000 0.311 460 W C -0.969 175.790 176.519 0.400 0.000 1.217 460 W CA -0.261 57.158 57.345 0.124 0.000 1.199 460 W CB 0.902 30.337 29.460 -0.041 0.000 1.202 460 W HN 0.086 nan 8.180 nan 0.000 0.528 461 V N 4.188 124.485 119.914 0.639 0.000 2.876 461 V HA 0.422 4.542 4.120 0.000 0.000 0.312 461 V C -0.729 175.678 176.094 0.522 0.000 1.085 461 V CA -1.155 61.481 62.300 0.560 0.000 0.945 461 V CB 2.292 34.309 31.823 0.325 0.000 1.017 461 V HN 0.132 nan 8.190 nan 0.000 0.428 462 V N 2.855 123.060 119.914 0.485 0.000 2.350 462 V HA 0.575 4.695 4.120 0.000 0.000 0.276 462 V C 0.073 176.294 176.094 0.211 0.000 1.028 462 V CA -0.086 62.419 62.300 0.343 0.000 0.860 462 V CB 1.375 33.407 31.823 0.348 0.000 0.990 462 V HN 0.809 nan 8.190 nan 0.000 0.453 463 S N 4.555 120.351 115.700 0.160 0.000 2.672 463 S HA 0.442 4.912 4.470 0.000 0.000 0.291 463 S C 0.194 174.834 174.600 0.067 0.000 1.145 463 S CA -0.627 57.626 58.200 0.088 0.000 1.013 463 S CB 0.410 63.657 63.200 0.078 0.000 1.017 463 S HN 0.889 nan 8.310 nan 0.000 0.487 464 N N 3.161 121.882 118.700 0.035 0.000 2.740 464 N HA -0.170 4.570 4.740 0.000 0.000 0.248 464 N C 0.003 175.560 175.510 0.078 0.000 1.062 464 N CA 1.018 54.105 53.050 0.062 0.000 0.704 464 N CB -0.791 37.725 38.487 0.049 0.000 0.968 464 N HN 0.876 nan 8.380 nan 0.000 0.547 465 R N -3.654 116.899 120.500 0.089 0.000 3.994 465 R HA -0.192 4.148 4.340 0.000 0.000 0.403 465 R C -0.118 176.225 176.300 0.072 0.000 1.126 465 R CA 1.294 57.440 56.100 0.077 0.000 1.143 465 R CB -1.551 28.784 30.300 0.058 0.000 1.695 465 R HN 0.249 nan 8.270 nan 0.000 0.555 466 V N 1.159 121.128 119.914 0.092 0.000 2.495 466 V HA 0.551 4.671 4.120 0.000 0.000 0.298 466 V C -2.294 173.896 176.094 0.160 0.000 1.031 466 V CA -2.594 59.768 62.300 0.103 0.000 0.871 466 V CB 1.913 33.791 31.823 0.093 0.000 0.988 466 V HN -0.149 nan 8.190 nan 0.000 0.432 467 P HA 0.380 nan 4.420 nan 0.000 0.282 467 P C -1.106 176.447 177.300 0.422 0.000 1.262 467 P CA -0.173 63.132 63.100 0.342 0.000 0.773 467 P CB 0.475 32.338 31.700 0.270 0.000 0.879 468 I N 6.335 127.138 120.570 0.388 0.000 2.378 468 I HA 0.266 4.436 4.170 0.000 0.000 0.291 468 I C -1.820 174.209 176.117 -0.147 0.000 0.992 468 I CA -3.065 58.325 61.300 0.150 0.000 1.154 468 I CB 1.442 39.511 38.000 0.114 0.000 1.315 468 I HN 0.193 nan 8.210 nan 0.000 0.448 469 P HA 0.029 nan 4.420 nan 0.000 0.224 469 P C 0.297 176.741 177.300 -1.427 0.000 1.159 469 P CA 1.069 62.990 63.100 -1.966 0.000 0.824 469 P CB 0.242 30.740 31.700 -2.004 0.000 0.833 470 W N -0.450 120.595 121.300 -0.425 0.000 2.145 470 W HA 0.293 4.953 4.660 0.000 0.000 0.370 470 W C -0.603 175.831 176.519 -0.142 0.000 0.850 470 W CA -0.520 56.662 57.345 -0.272 0.000 2.615 470 W CB 0.399 29.730 29.460 -0.214 0.000 1.376 470 W HN -0.413 nan 8.180 nan 0.000 0.654 471 V N 2.195 122.144 119.914 0.057 0.000 2.450 471 V HA 0.115 4.235 4.120 0.000 0.000 0.281 471 V C 0.589 176.712 176.094 0.049 0.000 1.019 471 V CA 0.638 62.970 62.300 0.053 0.000 1.062 471 V CB 0.265 32.115 31.823 0.046 0.000 0.979 471 V HN 0.066 nan 8.190 nan 0.000 0.477 472 S N 2.865 118.572 115.700 0.011 0.000 2.536 472 S HA 0.956 5.426 4.470 0.000 0.000 0.298 472 S C 0.267 174.824 174.600 -0.072 0.000 1.083 472 S CA 0.006 58.198 58.200 -0.013 0.000 0.995 472 S CB 1.937 65.144 63.200 0.011 0.000 1.058 472 S HN 1.353 nan 8.310 nan 0.000 0.488 473 G N 0.328 109.065 108.800 -0.105 0.000 2.350 473 G HA2 0.220 4.180 3.960 0.000 0.000 0.304 473 G HA3 0.220 4.180 3.960 0.000 0.000 0.304 473 G C 0.000 174.818 174.900 -0.136 0.000 1.421 473 G CA -0.263 44.773 45.100 -0.106 0.000 0.934 473 G HN 0.463 nan 8.290 nan 0.000 0.632 474 T N -0.028 114.472 114.554 -0.089 0.000 3.081 474 T HA 0.122 4.472 4.350 0.000 0.000 0.255 474 T C 2.402 177.051 174.700 -0.085 0.000 1.113 474 T CA 1.795 63.853 62.100 -0.069 0.000 1.082 474 T CB -0.231 68.619 68.868 -0.029 0.000 0.939 474 T HN 0.437 nan 8.240 nan 0.000 0.506 475 S N 0.901 116.539 115.700 -0.104 0.000 2.507 475 S HA 0.098 4.568 4.470 0.000 0.000 0.235 475 S C 2.207 176.699 174.600 -0.180 0.000 0.988 475 S CA 0.672 58.806 58.200 -0.110 0.000 0.944 475 S CB -0.142 63.005 63.200 -0.089 0.000 0.762 475 S HN 0.606 nan 8.310 nan 0.000 0.526 476 A N 1.730 124.365 122.820 -0.308 0.000 1.878 476 A HA -0.007 4.313 4.320 0.000 0.000 0.213 476 A C 2.291 179.662 177.584 -0.355 0.000 1.192 476 A CA 1.408 53.086 52.037 -0.598 0.000 0.619 476 A CB -0.746 17.501 19.000 -1.255 0.000 0.837 476 A HN 0.567 nan 8.150 nan 0.000 0.446 477 S N -0.591 114.997 115.700 -0.187 0.000 2.406 477 S HA -0.112 4.358 4.470 0.000 0.000 0.228 477 S C 1.821 176.468 174.600 0.078 0.000 1.020 477 S CA 1.602 59.807 58.200 0.009 0.000 0.965 477 S CB -0.996 62.234 63.200 0.049 0.000 0.798 477 S HN 0.471 nan 8.310 nan 0.000 0.488 478 T N 3.674 118.243 114.554 0.025 0.000 2.652 478 T HA -0.024 4.326 4.350 0.000 0.000 0.267 478 T C -0.647 174.108 174.700 0.092 0.000 1.039 478 T CA 1.623 63.755 62.100 0.054 0.000 1.153 478 T CB -1.453 67.411 68.868 -0.007 0.000 0.863 478 T HN 0.428 nan 8.240 nan 0.000 0.428 479 P HA 0.047 nan 4.420 nan 0.000 0.218 479 P C 1.638 179.014 177.300 0.126 0.000 1.149 479 P CA 0.590 63.735 63.100 0.075 0.000 0.817 479 P CB -0.239 31.494 31.700 0.056 0.000 0.785 480 V N -0.894 119.115 119.914 0.160 0.000 2.307 480 V HA -0.198 3.922 4.120 0.000 0.000 0.245 480 V C 2.352 178.516 176.094 0.116 0.000 1.045 480 V CA 1.572 63.986 62.300 0.189 0.000 1.024 480 V CB -1.284 30.708 31.823 0.281 0.000 0.651 480 V HN -0.045 nan 8.190 nan 0.000 0.449 481 F N 1.389 121.362 119.950 0.038 0.000 2.134 481 F HA -0.055 4.472 4.527 0.000 0.000 0.299 481 F C 2.260 178.079 175.800 0.031 0.000 1.097 481 F CA 1.690 59.694 58.000 0.006 0.000 1.264 481 F CB -0.585 38.416 39.000 0.002 0.000 1.001 481 F HN 0.184 nan 8.300 nan 0.000 0.479 482 G N -0.649 108.315 108.800 0.274 0.000 2.418 482 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 482 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 482 G C 1.909 176.876 174.900 0.112 0.000 1.158 482 G CA 0.706 45.922 45.100 0.195 0.000 0.771 482 G HN 0.555 nan 8.290 nan 0.000 0.545 483 G N 0.847 109.692 108.800 0.075 0.000 2.422 483 G HA2 -0.143 3.817 3.960 0.000 0.000 0.218 483 G HA3 -0.143 3.817 3.960 0.000 0.000 0.218 483 G C 1.754 176.667 174.900 0.021 0.000 1.146 483 G CA 0.712 45.837 45.100 0.040 0.000 0.769 483 G HN 0.440 nan 8.290 nan 0.000 0.547 484 I N -0.280 120.280 120.570 -0.017 0.000 2.439 484 I HA -0.042 4.128 4.170 0.000 0.000 0.251 484 I C 2.448 178.597 176.117 0.054 0.000 1.139 484 I CA 0.191 61.472 61.300 -0.031 0.000 1.438 484 I CB 0.023 37.925 38.000 -0.162 0.000 1.085 484 I HN 0.091 nan 8.210 nan 0.000 0.427 485 L N -0.185 121.065 121.223 0.046 0.000 2.109 485 L HA -0.136 4.204 4.340 0.000 0.000 0.207 485 L C 2.605 179.548 176.870 0.122 0.000 1.086 485 L CA 1.626 56.532 54.840 0.110 0.000 0.760 485 L CB -0.795 41.381 42.059 0.195 0.000 0.910 485 L HN 0.113 nan 8.230 nan 0.000 0.437 486 S N -1.219 114.546 115.700 0.108 0.000 2.423 486 S HA -0.117 4.353 4.470 0.000 0.000 0.231 486 S C 1.907 176.581 174.600 0.123 0.000 1.014 486 S CA 0.869 59.131 58.200 0.103 0.000 0.965 486 S CB -0.219 63.023 63.200 0.069 0.000 0.785 486 S HN 0.324 nan 8.310 nan 0.000 0.495 487 L N 1.578 122.885 121.223 0.142 0.000 2.109 487 L HA 0.204 4.544 4.340 0.000 0.000 0.207 487 L C 1.901 178.969 176.870 0.330 0.000 1.086 487 L CA 1.546 56.511 54.840 0.208 0.000 0.760 487 L CB -0.580 41.583 42.059 0.173 0.000 0.910 487 L HN 0.366 nan 8.230 nan 0.000 0.437 488 I N -0.503 120.227 120.570 0.266 0.000 2.394 488 I HA -0.258 3.913 4.170 0.000 0.000 0.251 488 I C 1.931 178.149 176.117 0.169 0.000 1.136 488 I CA 0.754 62.167 61.300 0.189 0.000 1.425 488 I CB -0.401 37.645 38.000 0.076 0.000 1.079 488 I HN 0.342 nan 8.210 nan 0.000 0.425 489 N N 0.823 119.608 118.700 0.141 0.000 2.166 489 N HA -0.182 4.558 4.740 0.000 0.000 0.186 489 N C 1.743 177.316 175.510 0.105 0.000 1.019 489 N CA 1.161 54.269 53.050 0.098 0.000 0.856 489 N CB -0.140 38.398 38.487 0.085 0.000 0.993 489 N HN 0.345 nan 8.380 nan 0.000 0.426 490 E N -0.356 119.925 120.200 0.134 0.000 2.077 490 E HA -0.166 4.184 4.350 0.000 0.000 0.193 490 E C 1.472 178.100 176.600 0.047 0.000 0.989 490 E CA 0.978 57.426 56.400 0.080 0.000 0.800 490 E CB -0.166 29.564 29.700 0.049 0.000 0.746 490 E HN 0.548 nan 8.360 nan 0.000 0.452 491 H N -0.110 119.000 119.070 0.066 0.000 2.457 491 H HA 0.017 4.573 4.556 0.000 0.000 0.294 491 H C 2.100 177.449 175.328 0.035 0.000 1.064 491 H CA 1.140 57.220 56.048 0.054 0.000 1.330 491 H CB 0.185 29.981 29.762 0.056 0.000 1.395 491 H HN 0.002 nan 8.280 nan 0.000 0.541 492 R N -0.386 120.202 120.500 0.146 0.000 2.066 492 R HA 0.031 4.371 4.340 0.000 0.000 0.224 492 R C 2.080 178.411 176.300 0.051 0.000 1.122 492 R CA 1.176 57.327 56.100 0.084 0.000 0.974 492 R CB -0.052 30.288 30.300 0.067 0.000 0.871 492 R HN 0.251 nan 8.270 nan 0.000 0.435 493 I N 1.268 121.861 120.570 0.038 0.000 2.202 493 I HA -0.174 3.996 4.170 0.000 0.000 0.242 493 I C 0.660 176.792 176.117 0.026 0.000 1.091 493 I CA 0.696 62.011 61.300 0.024 0.000 1.368 493 I CB -0.099 37.918 38.000 0.029 0.000 1.058 493 I HN 0.009 nan 8.210 nan 0.000 0.410 494 L N 1.455 122.690 121.223 0.020 0.000 2.455 494 L HA 0.017 4.357 4.340 0.000 0.000 0.272 494 L C 1.185 178.067 176.870 0.020 0.000 1.174 494 L CA 0.639 55.483 54.840 0.008 0.000 0.869 494 L CB 0.538 42.583 42.059 -0.024 0.000 1.130 494 L HN 0.473 nan 8.230 nan 0.000 0.474 495 S N 1.182 116.894 115.700 0.020 0.000 2.990 495 S HA -0.155 4.315 4.470 0.000 0.000 0.273 495 S C 0.918 175.533 174.600 0.025 0.000 1.323 495 S CA 0.882 59.097 58.200 0.026 0.000 1.084 495 S CB -2.104 61.119 63.200 0.038 0.000 1.323 495 S HN 1.974 nan 8.310 nan 0.000 0.682 496 G N 0.543 109.357 108.800 0.022 0.000 2.168 496 G HA2 -0.334 3.626 3.960 0.000 0.000 0.257 496 G HA3 -0.334 3.626 3.960 0.000 0.000 0.257 496 G C -0.011 174.899 174.900 0.017 0.000 0.997 496 G CA 0.735 45.846 45.100 0.019 0.000 0.708 496 G HN 0.985 nan 8.290 nan 0.000 0.520 497 R N 0.282 120.795 120.500 0.022 0.000 2.549 497 R HA 0.520 4.860 4.340 0.000 0.000 0.267 497 R C -2.216 174.088 176.300 0.008 0.000 1.045 497 R CA -1.776 54.337 56.100 0.022 0.000 1.115 497 R CB 0.737 31.061 30.300 0.041 0.000 1.121 497 R HN 0.087 nan 8.270 nan 0.000 0.543 498 P HA 0.156 nan 4.420 nan 0.000 0.274 498 P C -2.501 174.804 177.300 0.008 0.000 1.237 498 P CA -1.462 61.633 63.100 -0.009 0.000 0.793 498 P CB -0.027 31.615 31.700 -0.097 0.000 0.977 499 P HA 0.082 nan 4.420 nan 0.000 0.268 499 P C 0.876 178.206 177.300 0.049 0.000 1.208 499 P CA 0.129 63.169 63.100 -0.101 0.000 0.777 499 P CB 0.315 31.785 31.700 -0.382 0.000 0.875 500 L N 0.708 121.955 121.223 0.040 0.000 2.275 500 L HA -0.056 4.284 4.340 0.000 0.000 0.215 500 L C 1.789 178.718 176.870 0.099 0.000 1.119 500 L CA 1.295 56.194 54.840 0.099 0.000 0.790 500 L CB -1.204 40.910 42.059 0.091 0.000 0.919 500 L HN 0.731 nan 8.230 nan 0.000 0.443 501 G N 0.488 109.288 108.800 0.001 0.000 2.594 501 G HA2 -0.413 3.547 3.960 0.000 0.000 0.297 501 G HA3 -0.413 3.547 3.960 0.000 0.000 0.297 501 G C -0.086 174.886 174.900 0.121 0.000 1.273 501 G CA 0.311 45.373 45.100 -0.064 0.000 0.974 501 G HN 0.161 nan 8.290 nan 0.000 0.552 502 F N 1.382 121.337 119.950 0.008 0.000 2.557 502 F HA 0.463 4.990 4.527 0.000 0.000 0.384 502 F C 1.259 177.100 175.800 0.067 0.000 1.057 502 F CA -0.244 57.790 58.000 0.057 0.000 1.169 502 F CB 0.823 39.873 39.000 0.085 0.000 1.070 502 F HN 0.496 nan 8.300 nan 0.000 0.554 503 L N 5.963 127.051 121.223 -0.225 0.000 2.354 503 L HA 0.106 4.446 4.340 0.000 0.000 0.212 503 L C 1.728 178.345 176.870 -0.422 0.000 1.091 503 L CA 1.159 55.868 54.840 -0.219 0.000 0.828 503 L CB -0.733 41.315 42.059 -0.018 0.000 0.973 503 L HN 0.702 nan 8.230 nan 0.000 0.461 504 N N 0.273 118.523 118.700 -0.750 0.000 2.104 504 N HA -0.168 4.572 4.740 0.000 0.000 0.190 504 N C -1.078 174.095 175.510 -0.562 0.000 1.024 504 N CA 1.467 54.188 53.050 -0.549 0.000 0.853 504 N CB -0.891 37.177 38.487 -0.697 0.000 1.008 504 N HN 0.333 nan 8.380 nan 0.000 0.424 505 P HA -0.162 nan 4.420 nan 0.000 0.215 505 P C 1.218 178.403 177.300 -0.193 0.000 1.153 505 P CA 1.163 64.014 63.100 -0.415 0.000 0.853 505 P CB 0.012 31.532 31.700 -0.301 0.000 0.788 506 R N -0.466 119.911 120.500 -0.205 0.000 2.075 506 R HA -0.110 4.230 4.340 0.000 0.000 0.232 506 R C 2.122 178.316 176.300 -0.177 0.000 1.126 506 R CA 1.059 57.059 56.100 -0.167 0.000 0.963 506 R CB -0.964 29.261 30.300 -0.125 0.000 0.858 506 R HN 0.093 nan 8.270 nan 0.000 0.435 507 L N 0.032 121.160 121.223 -0.159 0.000 2.017 507 L HA -0.158 4.182 4.340 0.000 0.000 0.208 507 L C 1.660 178.301 176.870 -0.383 0.000 1.073 507 L CA 1.786 56.491 54.840 -0.224 0.000 0.745 507 L CB -0.673 41.310 42.059 -0.128 0.000 0.894 507 L HN 0.149 nan 8.230 nan 0.000 0.432 508 Y N -0.324 119.857 120.300 -0.198 0.000 2.263 508 Y HA -0.205 4.345 4.550 0.000 0.000 0.292 508 Y C 2.830 178.565 175.900 -0.275 0.000 1.130 508 Y CA 1.739 59.807 58.100 -0.053 0.000 1.179 508 Y CB -0.255 38.337 38.460 0.220 0.000 0.998 508 Y HN 0.407 nan 8.280 nan 0.000 0.532 509 Q N 0.412 120.133 119.800 -0.132 0.000 2.124 509 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 509 Q C 1.143 176.845 176.000 -0.498 0.000 0.977 509 Q CA 1.443 57.088 55.803 -0.264 0.000 0.850 509 Q CB -0.024 28.612 28.738 -0.170 0.000 0.901 509 Q HN 0.491 nan 8.270 nan 0.000 0.429 510 Q N -0.226 119.318 119.800 -0.427 0.000 2.228 510 Q HA 0.021 4.361 4.340 0.000 0.000 0.211 510 Q C -0.920 174.824 176.000 -0.426 0.000 0.890 510 Q CA 0.001 55.585 55.803 -0.365 0.000 0.953 510 Q CB 0.194 28.777 28.738 -0.259 0.000 1.053 510 Q HN 0.555 nan 8.270 nan 0.000 0.471 511 H N -0.516 118.265 119.070 -0.482 0.000 2.655 511 H HA -0.241 4.315 4.556 0.000 0.000 0.313 511 H C 1.287 175.827 175.328 -1.313 0.000 1.141 511 H CA 0.413 55.982 56.048 -0.799 0.000 1.138 511 H CB -1.733 27.852 29.762 -0.295 0.000 1.446 511 H HN 0.675 nan 8.280 nan 0.000 0.415 512 G N -1.470 106.414 108.800 -1.527 0.000 2.228 512 G HA2 -0.312 3.648 3.960 0.000 0.000 0.270 512 G HA3 -0.312 3.648 3.960 0.000 0.000 0.270 512 G C 0.808 175.415 174.900 -0.488 0.000 0.976 512 G CA 0.473 44.760 45.100 -1.355 0.000 0.636 512 G HN 1.378 nan 8.290 nan 0.000 0.542 513 A N -0.404 122.199 122.820 -0.362 0.000 2.586 513 A HA 0.544 4.864 4.320 0.000 0.000 0.231 513 A C 2.145 179.660 177.584 -0.115 0.000 1.055 513 A CA 2.238 54.179 52.037 -0.160 0.000 0.756 513 A CB -0.275 18.657 19.000 -0.113 0.000 0.988 513 A HN 2.472 nan 8.150 nan 0.000 0.509 514 G N 0.158 108.926 108.800 -0.053 0.000 2.175 514 G HA2 -0.169 3.792 3.960 0.000 0.000 0.244 514 G HA3 -0.169 3.792 3.960 0.000 0.000 0.244 514 G C -0.076 174.830 174.900 0.010 0.000 0.982 514 G CA 0.294 45.372 45.100 -0.036 0.000 0.641 514 G HN 0.918 nan 8.290 nan 0.000 0.527 515 L N 0.258 121.506 121.223 0.041 0.000 2.329 515 L HA 0.662 5.002 4.340 0.000 0.000 0.279 515 L C 0.463 177.432 176.870 0.165 0.000 1.014 515 L CA -1.369 53.544 54.840 0.122 0.000 0.814 515 L CB 1.495 43.653 42.059 0.165 0.000 1.257 515 L HN 0.129 nan 8.230 nan 0.000 0.424 516 F N 2.550 122.555 119.950 0.093 0.000 2.541 516 F HA 0.066 4.593 4.527 0.000 0.000 0.378 516 F C 0.476 176.344 175.800 0.113 0.000 1.068 516 F CA -0.370 57.694 58.000 0.108 0.000 1.199 516 F CB 0.451 39.531 39.000 0.133 0.000 1.091 516 F HN 0.454 nan 8.300 nan 0.000 0.555 517 D N 6.009 126.023 120.400 -0.643 0.000 2.316 517 D HA 0.253 4.893 4.640 0.000 0.000 0.245 517 D C -0.939 174.973 176.300 -0.646 0.000 1.171 517 D CA -0.219 53.516 54.000 -0.441 0.000 0.856 517 D CB 0.968 41.628 40.800 -0.233 0.000 1.090 517 D HN 0.304 nan 8.370 nan 0.000 0.476 518 V N 4.040 123.816 119.914 -0.231 0.000 2.498 518 V HA 0.312 4.432 4.120 0.000 0.000 0.279 518 V C 1.082 177.138 176.094 -0.064 0.000 1.048 518 V CA -0.173 62.103 62.300 -0.040 0.000 0.967 518 V CB 1.497 33.371 31.823 0.085 0.000 0.988 518 V HN 0.801 nan 8.190 nan 0.000 0.473 519 T N 3.264 117.812 114.554 -0.010 0.000 3.028 519 T HA 0.229 4.579 4.350 0.000 0.000 0.262 519 T C 0.573 175.287 174.700 0.023 0.000 0.916 519 T CA -0.140 61.957 62.100 -0.005 0.000 0.873 519 T CB 0.254 69.117 68.868 -0.008 0.000 1.232 519 T HN 0.495 nan 8.240 nan 0.000 0.529 520 R N 1.238 121.764 120.500 0.043 0.000 2.514 520 R HA 0.630 4.970 4.340 0.000 0.000 0.301 520 R C -0.083 176.234 176.300 0.029 0.000 0.962 520 R CA -0.254 55.868 56.100 0.038 0.000 0.882 520 R CB 1.780 32.113 30.300 0.055 0.000 1.143 520 R HN 0.348 nan 8.270 nan 0.000 0.452 521 G N 1.103 109.908 108.800 0.008 0.000 2.617 521 G HA2 -0.118 3.842 3.960 0.000 0.000 0.686 521 G HA3 -0.118 3.842 3.960 0.000 0.000 0.686 521 G C -0.866 174.032 174.900 -0.004 0.000 1.214 521 G CA -1.079 44.031 45.100 0.016 0.000 0.796 521 G HN 0.693 nan 8.290 nan 0.000 0.654 522 c N 1.615 120.234 118.600 0.031 0.000 2.779 522 c HA 0.941 5.511 4.570 0.000 0.000 0.314 522 c C 0.349 174.503 174.090 0.108 0.000 1.231 522 c CA -0.760 55.584 56.329 0.025 0.000 1.652 522 c CB 1.323 43.856 42.510 0.039 0.000 2.198 522 c HN 1.212 nan 8.230 nan 0.000 0.483 523 H N -0.010 119.016 119.070 -0.073 0.000 2.500 523 H HA 0.602 5.158 4.556 0.000 0.000 0.351 523 H C -0.099 175.020 175.328 -0.348 0.000 1.281 523 H CA -0.855 55.068 56.048 -0.209 0.000 1.368 523 H CB 0.012 29.644 29.762 -0.217 0.000 1.616 523 H HN 0.789 nan 8.280 nan 0.000 0.591 524 E N 0.152 119.971 120.200 -0.635 0.000 2.345 524 E HA 0.478 4.828 4.350 0.000 0.000 0.259 524 E C -0.489 175.803 176.600 -0.513 0.000 1.117 524 E CA -0.861 55.116 56.400 -0.704 0.000 0.913 524 E CB 1.272 30.301 29.700 -1.117 0.000 1.057 524 E HN 0.525 nan 8.360 nan 0.000 0.432 525 S N -0.061 115.474 115.700 -0.276 0.000 2.930 525 S HA 0.245 4.715 4.470 0.000 0.000 0.306 525 S C -1.018 173.582 174.600 0.000 0.000 1.238 525 S CA -0.594 57.515 58.200 -0.152 0.000 1.000 525 S CB 0.298 63.449 63.200 -0.081 0.000 1.342 525 S HN 0.758 nan 8.310 nan 0.000 0.575 526 c N 2.610 121.281 118.600 0.118 0.000 2.597 526 c HA 0.226 4.796 4.570 0.000 0.000 0.412 526 c C 0.989 175.156 174.090 0.129 0.000 1.348 526 c CA -0.114 56.293 56.329 0.129 0.000 1.769 526 c CB -1.454 41.199 42.510 0.238 0.000 2.641 526 c HN 0.587 nan 8.230 nan 0.000 0.612 527 L N 4.111 125.399 121.223 0.108 0.000 2.437 527 L HA 0.190 4.530 4.340 0.000 0.000 0.243 527 L C 0.129 177.086 176.870 0.145 0.000 1.346 527 L CA 0.441 55.346 54.840 0.108 0.000 1.233 527 L CB -1.169 40.939 42.059 0.080 0.000 1.436 527 L HN 0.830 nan 8.230 nan 0.000 0.416 528 D N -1.747 118.759 120.400 0.176 0.000 2.566 528 D HA 0.094 4.734 4.640 0.000 0.000 0.254 528 D C 0.551 176.914 176.300 0.105 0.000 1.090 528 D CA -0.822 53.282 54.000 0.174 0.000 1.034 528 D CB 0.734 41.712 40.800 0.297 0.000 1.434 528 D HN 0.208 nan 8.370 nan 0.000 0.509 529 E N -0.871 119.367 120.200 0.064 0.000 2.502 529 E HA -0.071 4.279 4.350 0.000 0.000 0.194 529 E C 0.805 177.422 176.600 0.028 0.000 1.062 529 E CA 0.471 56.892 56.400 0.035 0.000 0.867 529 E CB 0.071 29.780 29.700 0.015 0.000 0.888 529 E HN 0.622 nan 8.360 nan 0.000 0.510 530 E N 0.049 120.275 120.200 0.043 0.000 2.413 530 E HA 0.049 4.399 4.350 0.000 0.000 0.203 530 E C 1.392 177.958 176.600 -0.056 0.000 0.957 530 E CA 0.124 56.533 56.400 0.016 0.000 0.950 530 E CB 0.947 30.691 29.700 0.073 0.000 0.957 530 E HN 0.154 nan 8.360 nan 0.000 0.497 531 V N 0.158 120.041 119.914 -0.052 0.000 3.250 531 V HA 0.064 4.184 4.120 0.000 0.000 0.240 531 V C 0.018 176.109 176.094 -0.004 0.000 1.275 531 V CA 0.413 62.647 62.300 -0.111 0.000 1.206 531 V CB 0.530 32.193 31.823 -0.267 0.000 0.976 531 V HN 0.305 nan 8.190 nan 0.000 0.467 532 E N 0.219 120.445 120.200 0.043 0.000 2.240 532 E HA -0.254 4.096 4.350 0.000 0.000 0.194 532 E C 0.940 177.582 176.600 0.070 0.000 1.385 532 E CA 0.442 56.877 56.400 0.058 0.000 0.686 532 E CB -1.271 28.454 29.700 0.042 0.000 1.125 532 E HN 1.003 nan 8.360 nan 0.000 0.359 533 G N 0.976 109.826 108.800 0.082 0.000 2.184 533 G HA2 -0.388 3.572 3.960 0.000 0.000 0.264 533 G HA3 -0.388 3.572 3.960 0.000 0.000 0.264 533 G C -0.012 174.938 174.900 0.083 0.000 0.975 533 G CA 0.712 45.871 45.100 0.100 0.000 0.642 533 G HN 0.532 nan 8.290 nan 0.000 0.536 534 Q N -0.157 119.672 119.800 0.050 0.000 2.340 534 Q HA 0.629 4.969 4.340 0.000 0.000 0.268 534 Q C 0.710 176.699 176.000 -0.019 0.000 1.031 534 Q CA -0.068 55.755 55.803 0.034 0.000 0.804 534 Q CB 1.319 30.092 28.738 0.059 0.000 1.286 534 Q HN 0.439 nan 8.270 nan 0.000 0.448 535 G N 2.016 110.768 108.800 -0.080 0.000 2.945 535 G HA2 0.356 4.316 3.960 0.000 0.000 0.156 535 G HA3 0.356 4.316 3.960 0.000 0.000 0.156 535 G C -0.704 174.153 174.900 -0.071 0.000 1.375 535 G CA -0.717 44.219 45.100 -0.273 0.000 1.039 535 G HN 0.551 nan 8.290 nan 0.000 0.586 536 F N -0.298 119.715 119.950 0.106 0.000 2.586 536 F HA 0.359 4.886 4.527 0.000 0.000 0.344 536 F C 0.927 176.664 175.800 -0.105 0.000 1.188 536 F CA -0.300 57.706 58.000 0.011 0.000 1.359 536 F CB 0.229 39.156 39.000 -0.122 0.000 1.129 536 F HN 0.095 nan 8.300 nan 0.000 0.609 537 c N 1.121 119.852 118.600 0.219 0.000 2.561 537 c HA 0.565 5.135 4.570 0.000 0.000 0.319 537 c C -0.128 174.009 174.090 0.077 0.000 1.198 537 c CA -1.180 55.197 56.329 0.080 0.000 1.665 537 c CB 1.290 43.854 42.510 0.091 0.000 2.258 537 c HN 0.905 nan 8.230 nan 0.000 0.493 538 S N 1.489 117.170 115.700 -0.031 0.000 2.576 538 S HA 0.678 5.148 4.470 0.000 0.000 0.276 538 S C 0.004 174.631 174.600 0.046 0.000 1.339 538 S CA -0.006 58.156 58.200 -0.063 0.000 1.039 538 S CB 0.941 64.087 63.200 -0.090 0.000 0.902 538 S HN 1.277 nan 8.310 nan 0.000 0.516 539 G N 0.756 109.583 108.800 0.044 0.000 2.766 539 G HA2 0.605 4.565 3.960 0.000 0.000 0.288 539 G HA3 0.605 4.565 3.960 0.000 0.000 0.288 539 G C -2.758 172.169 174.900 0.044 0.000 1.408 539 G CA -1.601 43.558 45.100 0.098 0.000 0.852 539 G HN 0.434 nan 8.290 nan 0.000 0.487 540 P HA 0.055 nan 4.420 nan 0.000 0.219 540 P C 1.202 178.529 177.300 0.044 0.000 1.146 540 P CA 1.728 64.850 63.100 0.036 0.000 0.808 540 P CB 0.327 32.057 31.700 0.049 0.000 0.779 541 G N -2.188 106.659 108.800 0.078 0.000 3.247 541 G HA2 0.253 4.213 3.960 0.000 0.000 0.163 541 G HA3 0.253 4.213 3.960 0.000 0.000 0.163 541 G C -1.371 173.507 174.900 -0.037 0.000 1.206 541 G CA -0.595 44.572 45.100 0.113 0.000 0.918 541 G HN 0.108 nan 8.290 nan 0.000 0.625 542 W N 2.433 123.485 121.300 -0.414 0.000 2.193 542 W HA 0.424 5.084 4.660 0.000 0.000 0.338 542 W C -0.392 175.829 176.519 -0.496 0.000 1.310 542 W CA 0.726 57.598 57.345 -0.788 0.000 1.243 542 W CB 0.514 29.172 29.460 -1.336 0.000 1.165 542 W HN 0.657 nan 8.180 nan 0.000 0.566 543 D N 4.132 123.430 120.400 -1.835 0.000 2.599 543 D HA 0.319 4.959 4.640 0.000 0.000 0.252 543 D C -2.670 172.175 176.300 -2.425 0.000 1.232 543 D CA -1.784 50.984 54.000 -2.053 0.000 0.819 543 D CB 1.816 42.039 40.800 -0.962 0.000 1.401 543 D HN 0.123 nan 8.370 nan 0.000 0.429 544 P HA 0.167 nan 4.420 nan 0.000 0.243 544 P C 0.040 176.801 177.300 -0.898 0.000 1.672 544 P CA -0.165 62.111 63.100 -1.375 0.000 1.000 544 P CB 0.370 31.245 31.700 -1.376 0.000 1.562 545 V N -0.858 118.563 119.914 -0.821 0.000 3.251 545 V HA 0.054 4.174 4.120 0.000 0.000 0.239 545 V C 1.860 177.724 176.094 -0.382 0.000 1.332 545 V CA 1.575 63.526 62.300 -0.580 0.000 1.224 545 V CB 0.099 31.568 31.823 -0.591 0.000 1.004 545 V HN 0.267 nan 8.190 nan 0.000 0.464 546 T N -2.977 111.311 114.554 -0.443 0.000 3.087 546 T HA 0.517 4.867 4.350 0.000 0.000 0.283 546 T C 1.160 175.663 174.700 -0.327 0.000 0.956 546 T CA 0.890 62.820 62.100 -0.284 0.000 0.894 546 T CB 0.971 69.734 68.868 -0.176 0.000 1.160 546 T HN 0.972 nan 8.240 nan 0.000 0.532 547 G N 1.465 109.897 108.800 -0.613 0.000 2.583 547 G HA2 -0.318 3.642 3.960 0.000 0.000 0.292 547 G HA3 -0.318 3.642 3.960 0.000 0.000 0.292 547 G C 0.391 174.924 174.900 -0.612 0.000 1.203 547 G CA 0.273 44.977 45.100 -0.660 0.000 0.987 547 G HN 0.456 nan 8.290 nan 0.000 0.554 548 W N 2.093 123.325 121.300 -0.113 0.000 2.905 548 W HA 0.397 5.057 4.660 0.000 0.000 0.251 548 W C 1.843 178.330 176.519 -0.054 0.000 1.305 548 W CA 1.526 58.836 57.345 -0.059 0.000 1.465 548 W CB -0.023 29.401 29.460 -0.060 0.000 1.122 548 W HN 1.722 nan 8.180 nan 0.000 0.659 549 G N -0.164 108.718 108.800 0.138 0.000 2.445 549 G HA2 -0.194 3.766 3.960 0.000 0.000 0.212 549 G HA3 -0.194 3.766 3.960 0.000 0.000 0.212 549 G C -0.458 174.588 174.900 0.243 0.000 1.217 549 G CA -0.355 44.834 45.100 0.149 0.000 1.002 549 G HN -0.144 nan 8.290 nan 0.000 0.574 550 T N 4.175 118.898 114.554 0.283 0.000 2.867 550 T HA 0.665 5.015 4.350 0.000 0.000 0.282 550 T C -2.449 172.298 174.700 0.079 0.000 1.000 550 T CA -0.613 61.618 62.100 0.219 0.000 1.042 550 T CB 2.122 71.188 68.868 0.330 0.000 0.973 550 T HN 0.501 nan 8.240 nan 0.000 0.465 551 P HA 0.189 nan 4.420 nan 0.000 0.277 551 P C -0.720 176.487 177.300 -0.154 0.000 1.354 551 P CA -0.448 62.446 63.100 -0.343 0.000 0.891 551 P CB 0.004 31.224 31.700 -0.801 0.000 1.058 552 N N 3.426 122.149 118.700 0.037 0.000 2.555 552 N HA 0.026 4.766 4.740 0.000 0.000 0.244 552 N C 0.703 176.266 175.510 0.088 0.000 1.114 552 N CA -0.511 52.616 53.050 0.129 0.000 0.963 552 N CB -0.502 38.077 38.487 0.152 0.000 1.276 552 N HN 0.134 nan 8.380 nan 0.000 0.510 553 F N 6.182 126.124 119.950 -0.014 0.000 2.043 553 F HA -0.081 4.446 4.527 0.000 0.000 0.297 553 F C -0.895 174.874 175.800 -0.052 0.000 1.118 553 F CA 1.546 59.513 58.000 -0.055 0.000 1.202 553 F CB -0.987 37.992 39.000 -0.036 0.000 0.965 553 F HN 0.444 nan 8.300 nan 0.000 0.482 554 P HA -0.241 nan 4.420 nan 0.000 0.215 554 P C 1.587 178.747 177.300 -0.233 0.000 1.157 554 P CA 2.777 65.767 63.100 -0.183 0.000 0.874 554 P CB -0.441 31.259 31.700 0.001 0.000 0.790 555 A N -0.846 121.896 122.820 -0.128 0.000 1.873 555 A HA -0.164 4.156 4.320 0.000 0.000 0.215 555 A C 2.329 179.816 177.584 -0.161 0.000 1.186 555 A CA 1.346 53.319 52.037 -0.106 0.000 0.616 555 A CB -1.646 17.332 19.000 -0.037 0.000 0.823 555 A HN 0.093 nan 8.150 nan 0.000 0.442 556 L N -0.653 120.458 121.223 -0.187 0.000 1.990 556 L HA -0.220 4.120 4.340 0.000 0.000 0.213 556 L C 2.653 179.345 176.870 -0.297 0.000 1.072 556 L CA 1.557 56.272 54.840 -0.208 0.000 0.755 556 L CB -0.385 41.557 42.059 -0.195 0.000 0.889 556 L HN 0.500 nan 8.230 nan 0.000 0.432 557 L N 0.108 121.018 121.223 -0.523 0.000 1.978 557 L HA -0.371 3.969 4.340 0.000 0.000 0.218 557 L C 2.723 179.399 176.870 -0.322 0.000 1.075 557 L CA 2.160 56.651 54.840 -0.582 0.000 0.767 557 L CB -0.397 41.139 42.059 -0.873 0.000 0.890 557 L HN 0.331 nan 8.230 nan 0.000 0.434 558 K N -0.951 119.292 120.400 -0.262 0.000 2.074 558 K HA -0.232 4.088 4.320 0.000 0.000 0.209 558 K C 1.901 178.424 176.600 -0.128 0.000 1.048 558 K CA 2.247 58.436 56.287 -0.163 0.000 0.926 558 K CB -0.093 32.332 32.500 -0.125 0.000 0.713 558 K HN 0.618 nan 8.250 nan 0.000 0.444 559 T N -1.643 112.830 114.554 -0.134 0.000 2.978 559 T HA 0.012 4.363 4.350 0.000 0.000 0.262 559 T C 1.749 176.386 174.700 -0.104 0.000 1.063 559 T CA 0.564 62.597 62.100 -0.112 0.000 1.140 559 T CB -0.054 68.743 68.868 -0.118 0.000 0.886 559 T HN 0.181 nan 8.240 nan 0.000 0.470 560 L N -0.234 120.925 121.223 -0.107 0.000 2.592 560 L HA 0.407 4.747 4.340 0.000 0.000 0.227 560 L C 1.867 178.709 176.870 -0.048 0.000 1.127 560 L CA 0.016 54.814 54.840 -0.071 0.000 0.884 560 L CB 0.102 42.125 42.059 -0.059 0.000 1.065 560 L HN 0.219 nan 8.230 nan 0.000 0.457 561 L N -1.062 120.120 121.223 -0.069 0.000 2.609 561 L HA 0.308 4.649 4.340 0.000 0.000 0.230 561 L C 0.928 177.781 176.870 -0.028 0.000 1.087 561 L CA 0.553 55.370 54.840 -0.040 0.000 0.874 561 L CB -0.210 41.808 42.059 -0.068 0.000 1.114 561 L HN 0.111 nan 8.230 nan 0.000 0.488 562 N N 0.044 118.715 118.700 -0.048 0.000 2.328 562 N HA 0.200 4.940 4.740 0.000 0.000 0.277 562 N C -1.621 173.865 175.510 -0.040 0.000 1.286 562 N CA -1.006 52.018 53.050 -0.042 0.000 0.949 562 N CB -0.616 37.839 38.487 -0.053 0.000 1.136 562 N HN -0.089 nan 8.380 nan 0.000 0.550 563 P HA 0.036 nan 4.420 nan 0.000 0.205 563 P C -0.518 176.730 177.300 -0.086 0.000 1.203 563 P CA 1.130 64.202 63.100 -0.048 0.000 0.926 563 P CB 0.322 31.994 31.700 -0.046 0.000 0.767 564 R N 0.000 120.428 120.500 -0.120 0.000 2.786 564 R HA 0.000 4.340 4.340 0.000 0.000 0.208 564 R CA 0.000 55.986 56.100 -0.190 0.000 0.921 564 R CB 0.000 30.134 30.300 -0.277 0.000 0.687 564 R HN 0.000 nan 8.270 nan 0.000 0.535