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 2w00_1_B DATA FIRST_RESID 13 DATA SEQUENCE NFIVLDKYIK AEPTGDSYQS ESDLERELIQ DLRNQGYEFI SVKSQSAXLA DATA SEQUENCE NVREQLQNLN GVVFNDSEWR RFTEQYLDNP SDGILDKTRK IHIDYICDFI DATA SEQUENCE FDDERLENIY LIDKKNLXRN KVQIIQQFEX XXXXXNRYDV TILVNGLPLV DATA SEQUENCE QIELKKRGVA IREAFNQIHX XXXXXXXXEN SLFKYLQLFV ISNGTDTRYF DATA SEQUENCE ANTTKRDKNS FDFTXNWAKS DNTLIKDLKD FTATCFQKHT LLNVLVNYSV DATA SEQUENCE FDSSQTLLVX RPYQIAATER ILWKIKSSFT AKNWSKPESG GYIWHTTGSG DATA SEQUENCE KTLTSFKAAR LATELDFIDK VFFVVDRKDL DYQTXKEYQR FSPDSVNGSE DATA SEQUENCE NTAGLKRNLD KDDNKIIVTT IQKLNNLXKA ESDLPVYNQQ VVFIFDECHR DATA SEQUENCE SQFGEAQKNL KKKFKRYYQF GFTGTPIFPE NALGSETTAS VFGRELHSYV DATA SEQUENCE ITDAIRDEKV LKFKVDYNDV RPQFKSLETE TDEKKLSAAE NQQAFLHPXR DATA SEQUENCE IQEITQYILN NFRQKTHRTF PGSKGFNAXL AVSSVDAAKA YYATFKRLQE DATA SEQUENCE EAANKSATYK PLRIATIFSF AAXXXXXXIG EISDETFDTS AXDSSAKEFL DATA SEQUENCE DAAIREYNSH FKTNFSTDSN GFQNYYRDLA QRVKNQDIDL LIVVGXFLTG DATA SEQUENCE FDAPTLNTLF VDKNLRYHGL XQAFSRTNRI YDATKTFGNI VTFRDLERST DATA SEQUENCE IDAITLFGDK NTKNVVLEKS YTEYXEGFTD AATGEAKRGF XTVVSELEQR DATA SEQUENCE FPDPTSIESE KEKKDFVKLF GEYLRAENIL QNYDEFATLK ALQQIDLSDP DATA SEQUENCE VAVEKFKAEH YVDDEKFAEL QTIRLPADRK IQDYRSAYND IRDWQRREKE DATA SEQUENCE XXXXXXXTTD WDDVVFEVDL LKSQEINLDY 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 13 N HA 0.000 nan 4.740 nan 0.000 0.220 13 N C 0.000 175.527 175.510 0.028 0.000 1.280 13 N CA 0.000 52.944 53.050 -0.177 0.000 0.885 13 N CB 0.000 38.388 38.487 -0.165 0.000 1.341 14 F N 1.051 121.004 119.950 0.006 0.000 2.471 14 F HA 0.254 4.738 4.527 -0.072 0.000 0.353 14 F C 2.159 178.002 175.800 0.071 0.000 1.113 14 F CA -0.821 57.185 58.000 0.011 0.000 1.262 14 F CB 1.177 40.127 39.000 -0.085 0.000 1.146 14 F HN 0.422 nan 8.300 nan 0.000 0.578 15 I N -0.244 120.504 120.570 0.297 0.000 3.783 15 I HA 0.176 4.305 4.170 -0.068 0.000 0.310 15 I C -0.312 175.914 176.117 0.181 0.000 1.274 15 I CA 0.243 61.691 61.300 0.246 0.000 1.294 15 I CB 0.245 38.386 38.000 0.234 0.000 1.051 15 I HN 0.096 nan 8.210 nan 0.000 0.435 16 V N 4.126 124.028 119.914 -0.020 0.000 2.334 16 V HA 0.356 4.435 4.120 -0.068 0.000 0.267 16 V C 0.153 176.186 176.094 -0.101 0.000 1.040 16 V CA -0.428 61.742 62.300 -0.217 0.000 0.866 16 V CB 0.919 32.489 31.823 -0.422 0.000 1.019 16 V HN 0.213 nan 8.190 nan 0.000 0.468 17 L N 3.777 124.972 121.223 -0.046 0.000 2.395 17 L HA 0.382 4.681 4.340 -0.068 0.000 0.269 17 L C 1.127 178.014 176.870 0.027 0.000 1.133 17 L CA -0.329 54.538 54.840 0.045 0.000 0.812 17 L CB 0.708 42.820 42.059 0.087 0.000 1.125 17 L HN 0.507 nan 8.230 nan 0.000 0.452 18 D N 0.755 121.193 120.400 0.063 0.000 2.234 18 D HA 0.010 4.609 4.640 -0.068 0.000 0.205 18 D C 0.402 176.740 176.300 0.062 0.000 0.962 18 D CA 1.227 55.258 54.000 0.051 0.000 0.855 18 D CB 0.351 41.187 40.800 0.060 0.000 0.951 18 D HN 0.325 nan 8.370 nan 0.000 0.500 19 K N -0.614 119.839 120.400 0.089 0.000 2.525 19 K HA 0.324 4.603 4.320 -0.068 0.000 0.254 19 K C -2.029 174.680 176.600 0.182 0.000 0.934 19 K CA -0.734 55.613 56.287 0.100 0.000 0.802 19 K CB 2.266 34.801 32.500 0.060 0.000 1.295 19 K HN -0.112 nan 8.250 nan 0.000 0.433 20 Y N 4.434 124.749 120.300 0.025 0.000 2.442 20 Y HA 0.402 4.911 4.550 -0.069 0.000 0.330 20 Y C -1.571 174.347 175.900 0.030 0.000 1.100 20 Y CA -1.084 57.036 58.100 0.033 0.000 1.034 20 Y CB 0.983 39.470 38.460 0.045 0.000 1.285 20 Y HN 0.539 nan 8.280 nan 0.000 0.440 21 I N 2.927 123.007 120.570 -0.817 0.000 2.354 21 I HA 0.529 4.658 4.170 -0.068 0.000 0.292 21 I C -0.674 174.875 176.117 -0.946 0.000 0.989 21 I CA -0.876 60.036 61.300 -0.647 0.000 1.188 21 I CB 1.400 39.223 38.000 -0.296 0.000 1.342 21 I HN 0.520 nan 8.210 nan 0.000 0.457 22 K N 5.095 125.202 120.400 -0.490 0.000 2.511 22 K HA 0.176 4.455 4.320 -0.068 0.000 0.277 22 K C 0.604 177.132 176.600 -0.119 0.000 1.025 22 K CA 0.278 56.456 56.287 -0.181 0.000 1.112 22 K CB 0.330 32.820 32.500 -0.017 0.000 0.859 22 K HN 0.854 nan 8.250 nan 0.000 0.485 23 A N 3.321 126.156 122.820 0.025 0.000 2.536 23 A HA -0.053 4.226 4.320 -0.068 0.000 0.234 23 A C 0.121 177.707 177.584 0.004 0.000 1.076 23 A CA 0.059 52.120 52.037 0.040 0.000 0.769 23 A CB 0.242 19.309 19.000 0.111 0.000 1.020 23 A HN 0.743 nan 8.150 nan 0.000 0.508 24 E N 1.286 121.478 120.200 -0.013 0.000 2.197 24 E HA 0.515 4.824 4.350 -0.068 0.000 0.281 24 E C -2.163 174.405 176.600 -0.053 0.000 0.995 24 E CA -1.741 54.642 56.400 -0.029 0.000 0.808 24 E CB 0.659 30.343 29.700 -0.028 0.000 1.093 24 E HN 0.530 nan 8.360 nan 0.000 0.394 25 P HA 0.081 nan 4.420 nan 0.000 0.272 25 P C -0.004 177.227 177.300 -0.115 0.000 1.223 25 P CA -0.237 62.771 63.100 -0.154 0.000 0.784 25 P CB 1.058 32.658 31.700 -0.167 0.000 0.923 26 T N -1.373 113.099 114.554 -0.138 0.000 3.023 26 T HA 0.113 4.422 4.350 -0.068 0.000 0.266 26 T C 1.194 175.869 174.700 -0.041 0.000 1.093 26 T CA 0.617 62.674 62.100 -0.071 0.000 1.129 26 T CB -0.352 68.484 68.868 -0.054 0.000 0.899 26 T HN 0.638 nan 8.240 nan 0.000 0.491 27 G N 0.816 109.590 108.800 -0.044 0.000 2.603 27 G HA2 0.479 4.398 3.960 -0.068 0.000 0.324 27 G HA3 0.479 4.398 3.960 -0.068 0.000 0.324 27 G C -0.318 174.583 174.900 0.001 0.000 1.178 27 G CA 0.008 45.085 45.100 -0.038 0.000 1.023 27 G HN 0.613 nan 8.290 nan 0.000 0.482 28 D N 0.760 121.169 120.400 0.016 0.000 4.353 28 D HA 0.085 4.684 4.640 -0.068 0.000 0.242 28 D C 0.637 176.977 176.300 0.068 0.000 1.063 28 D CA 0.903 54.920 54.000 0.029 0.000 1.224 28 D CB -1.526 nan 40.800 nan 0.000 0.831 28 D HN 1.662 nan 8.370 nan 0.000 0.405 29 S N 0.890 116.640 115.700 0.084 0.000 2.566 29 S HA 0.453 4.882 4.470 -0.068 0.000 0.280 29 S C 0.379 175.111 174.600 0.220 0.000 1.343 29 S CA 1.019 59.288 58.200 0.115 0.000 1.036 29 S CB 0.709 63.950 63.200 0.069 0.000 0.866 29 S HN 1.478 nan 8.310 nan 0.000 0.526 30 Y N 1.796 122.094 120.300 -0.003 0.000 2.926 30 Y HA 0.221 4.730 4.550 -0.068 0.000 0.258 30 Y C 1.377 177.271 175.900 -0.010 0.000 1.110 30 Y CA -0.452 57.645 58.100 -0.004 0.000 1.224 30 Y CB 0.139 38.603 38.460 0.007 0.000 1.276 30 Y HN 0.756 nan 8.280 nan 0.000 0.595 31 Q N 0.762 120.555 119.800 -0.013 0.000 2.096 31 Q HA 0.028 4.327 4.340 -0.068 0.000 0.197 31 Q C 1.030 176.944 176.000 -0.144 0.000 0.964 31 Q CA 1.179 56.947 55.803 -0.060 0.000 0.838 31 Q CB 0.265 28.991 28.738 -0.021 0.000 0.906 31 Q HN 0.317 nan 8.270 nan 0.000 0.444 32 S N -0.576 115.030 115.700 -0.157 0.000 2.654 32 S HA 0.109 4.538 4.470 -0.068 0.000 0.283 32 S C 0.899 175.322 174.600 -0.295 0.000 1.180 32 S CA -0.373 57.715 58.200 -0.185 0.000 1.021 32 S CB 0.922 64.043 63.200 -0.133 0.000 1.018 32 S HN 0.383 nan 8.310 nan 0.000 0.532 33 E N 1.858 121.815 120.200 -0.405 0.000 2.153 33 E HA -0.138 4.171 4.350 -0.068 0.000 0.194 33 E C 1.850 178.084 176.600 -0.609 0.000 0.988 33 E CA 1.481 57.541 56.400 -0.568 0.000 0.811 33 E CB -0.485 28.732 29.700 -0.805 0.000 0.746 33 E HN 0.743 nan 8.360 nan 0.000 0.466 34 S N 0.902 116.263 115.700 -0.566 0.000 2.461 34 S HA -0.106 4.323 4.470 -0.068 0.000 0.228 34 S C 1.421 175.965 174.600 -0.092 0.000 1.005 34 S CA 0.711 58.778 58.200 -0.222 0.000 0.942 34 S CB 0.035 63.233 63.200 -0.005 0.000 0.776 34 S HN 0.042 nan 8.310 nan 0.000 0.514 35 D N 2.091 122.415 120.400 -0.126 0.000 2.087 35 D HA -0.051 4.548 4.640 -0.068 0.000 0.192 35 D C 1.864 178.129 176.300 -0.058 0.000 0.993 35 D CA 1.166 55.131 54.000 -0.059 0.000 0.828 35 D CB -0.487 40.260 40.800 -0.088 0.000 0.968 35 D HN 0.313 nan 8.370 nan 0.000 0.448 36 L N 1.019 122.102 121.223 -0.234 0.000 2.042 36 L HA -0.134 4.165 4.340 -0.068 0.000 0.210 36 L C 2.326 179.195 176.870 -0.002 0.000 1.076 36 L CA 1.400 56.120 54.840 -0.200 0.000 0.749 36 L CB -0.837 41.038 42.059 -0.308 0.000 0.893 36 L HN 0.102 nan 8.230 nan 0.000 0.432 37 E N -0.178 120.013 120.200 -0.015 0.000 2.051 37 E HA -0.262 4.047 4.350 -0.068 0.000 0.192 37 E C 2.458 179.107 176.600 0.082 0.000 0.991 37 E CA 0.982 57.419 56.400 0.062 0.000 0.799 37 E CB -0.082 29.683 29.700 0.108 0.000 0.748 37 E HN 0.310 nan 8.360 nan 0.000 0.449 38 R N 0.447 120.987 120.500 0.067 0.000 2.119 38 R HA -0.219 4.080 4.340 -0.068 0.000 0.246 38 R C 1.893 178.238 176.300 0.075 0.000 1.146 38 R CA 2.120 58.256 56.100 0.060 0.000 0.962 38 R CB -0.095 30.237 30.300 0.054 0.000 0.863 38 R HN 0.309 nan 8.270 nan 0.000 0.442 39 E N 0.365 120.636 120.200 0.117 0.000 2.122 39 E HA -0.113 4.196 4.350 -0.068 0.000 0.190 39 E C 2.157 178.835 176.600 0.129 0.000 0.977 39 E CA 0.408 56.890 56.400 0.136 0.000 0.820 39 E CB -0.108 29.724 29.700 0.220 0.000 0.770 39 E HN 0.340 nan 8.360 nan 0.000 0.462 40 L N 1.340 122.647 121.223 0.140 0.000 1.990 40 L HA -0.250 4.049 4.340 -0.068 0.000 0.213 40 L C 2.420 179.347 176.870 0.094 0.000 1.072 40 L CA 1.535 56.453 54.840 0.131 0.000 0.755 40 L CB -0.281 41.854 42.059 0.128 0.000 0.889 40 L HN 0.180 nan 8.230 nan 0.000 0.432 41 I N -0.598 120.025 120.570 0.089 0.000 2.163 41 I HA -0.350 3.779 4.170 -0.068 0.000 0.243 41 I C 2.598 178.755 176.117 0.066 0.000 1.085 41 I CA 1.315 62.667 61.300 0.087 0.000 1.347 41 I CB -0.228 37.828 38.000 0.093 0.000 1.044 41 I HN 0.398 nan 8.210 nan 0.000 0.408 42 Q N 1.146 120.977 119.800 0.052 0.000 2.061 42 Q HA -0.239 4.060 4.340 -0.068 0.000 0.204 42 Q C 1.701 177.741 176.000 0.068 0.000 0.984 42 Q CA 2.004 57.834 55.803 0.045 0.000 0.846 42 Q CB -0.195 28.566 28.738 0.039 0.000 0.902 42 Q HN 0.405 nan 8.270 nan 0.000 0.421 43 D N -0.416 120.033 120.400 0.081 0.000 2.117 43 D HA -0.120 4.479 4.640 -0.068 0.000 0.198 43 D C 1.929 178.292 176.300 0.105 0.000 0.982 43 D CA 0.944 55.001 54.000 0.096 0.000 0.828 43 D CB -0.204 40.663 40.800 0.111 0.000 0.967 43 D HN 0.285 nan 8.370 nan 0.000 0.464 44 L N 0.376 121.641 121.223 0.069 0.000 2.079 44 L HA -0.163 4.136 4.340 -0.068 0.000 0.210 44 L C 2.540 179.531 176.870 0.202 0.000 1.081 44 L CA 1.217 56.068 54.840 0.020 0.000 0.752 44 L CB -0.176 41.739 42.059 -0.240 0.000 0.896 44 L HN -0.044 nan 8.230 nan 0.000 0.433 45 R N -0.503 120.090 120.500 0.156 0.000 2.090 45 R HA -0.089 4.210 4.340 -0.068 0.000 0.228 45 R C 2.035 178.416 176.300 0.136 0.000 1.110 45 R CA 1.143 57.341 56.100 0.164 0.000 0.973 45 R CB -0.340 30.030 30.300 0.117 0.000 0.869 45 R HN 0.345 nan 8.270 nan 0.000 0.440 46 N N 1.106 119.875 118.700 0.114 0.000 2.205 46 N HA -0.162 4.537 4.740 -0.068 0.000 0.186 46 N C 0.988 176.566 175.510 0.115 0.000 1.015 46 N CA 1.219 54.327 53.050 0.096 0.000 0.862 46 N CB -0.003 38.534 38.487 0.082 0.000 0.986 46 N HN 0.342 nan 8.380 nan 0.000 0.429 47 Q N -0.755 119.149 119.800 0.174 0.000 2.280 47 Q HA 0.273 4.572 4.340 -0.068 0.000 0.202 47 Q C 0.332 176.426 176.000 0.157 0.000 0.903 47 Q CA 0.073 55.992 55.803 0.193 0.000 0.948 47 Q CB 0.434 29.340 28.738 0.280 0.000 1.058 47 Q HN 0.371 nan 8.270 nan 0.000 0.493 48 G N 0.554 109.432 108.800 0.130 0.000 2.149 48 G HA2 -0.280 3.639 3.960 -0.068 0.000 0.235 48 G HA3 -0.280 3.639 3.960 -0.068 0.000 0.235 48 G C -0.644 174.225 174.900 -0.052 0.000 1.018 48 G CA -0.394 44.720 45.100 0.024 0.000 0.728 48 G HN 0.321 nan 8.290 nan 0.000 0.508 49 Y N 0.764 121.076 120.300 0.020 0.000 2.425 49 Y HA 0.431 4.940 4.550 -0.069 0.000 0.347 49 Y C 0.927 176.854 175.900 0.045 0.000 0.976 49 Y CA -0.865 57.242 58.100 0.012 0.000 1.190 49 Y CB 0.907 39.365 38.460 -0.002 0.000 1.136 49 Y HN 0.291 nan 8.280 nan 0.000 0.517 50 E N 4.629 124.910 120.200 0.135 0.000 2.351 50 E HA -0.012 4.297 4.350 -0.068 0.000 0.266 50 E C -1.101 175.596 176.600 0.162 0.000 1.031 50 E CA -0.260 56.216 56.400 0.127 0.000 0.911 50 E CB 0.386 30.119 29.700 0.055 0.000 0.986 50 E HN 0.582 nan 8.360 nan 0.000 0.446 51 F N 6.768 126.751 119.950 0.055 0.000 2.427 51 F HA 0.331 4.817 4.527 -0.069 0.000 0.352 51 F C -0.200 175.620 175.800 0.032 0.000 1.100 51 F CA -0.520 57.508 58.000 0.047 0.000 1.191 51 F CB 0.394 39.421 39.000 0.045 0.000 1.128 51 F HN 0.345 nan 8.300 nan 0.000 0.533 52 I N 2.165 122.340 120.570 -0.658 0.000 3.002 52 I HA 0.535 4.664 4.170 -0.068 0.000 0.310 52 I C -0.869 174.865 176.117 -0.638 0.000 1.087 52 I CA -1.023 60.031 61.300 -0.409 0.000 1.017 52 I CB 1.861 39.735 38.000 -0.210 0.000 1.226 52 I HN 0.468 nan 8.210 nan 0.000 0.443 53 S N 2.458 118.040 115.700 -0.197 0.000 2.457 53 S HA 0.702 5.131 4.470 -0.068 0.000 0.289 53 S C -0.686 173.845 174.600 -0.116 0.000 1.163 53 S CA -0.363 57.772 58.200 -0.108 0.000 1.078 53 S CB 0.734 63.970 63.200 0.061 0.000 0.987 53 S HN 0.456 nan 8.310 nan 0.000 0.482 54 V N 5.630 125.472 119.914 -0.120 0.000 2.760 54 V HA 0.566 4.645 4.120 -0.068 0.000 0.309 54 V C -0.139 175.769 176.094 -0.310 0.000 1.077 54 V CA -0.721 61.467 62.300 -0.186 0.000 0.910 54 V CB 2.218 33.952 31.823 -0.149 0.000 1.008 54 V HN 0.808 nan 8.190 nan 0.000 0.424 55 K N 1.462 121.561 120.400 -0.501 0.000 2.491 55 K HA 0.366 4.645 4.320 -0.068 0.000 0.211 55 K C 0.128 176.203 176.600 -0.875 0.000 1.210 55 K CA 0.529 56.520 56.287 -0.494 0.000 1.003 55 K CB 1.065 33.443 32.500 -0.204 0.000 1.009 55 K HN 0.888 nan 8.250 nan 0.000 0.577 56 S N -1.616 113.498 115.700 -0.976 0.000 2.567 56 S HA 0.204 4.633 4.470 -0.068 0.000 0.270 56 S C 0.603 174.981 174.600 -0.370 0.000 1.152 56 S CA -0.664 57.183 58.200 -0.588 0.000 0.835 56 S CB 1.711 64.766 63.200 -0.243 0.000 1.115 56 S HN -0.042 nan 8.310 nan 0.000 0.459 57 Q N 1.747 121.509 119.800 -0.063 0.000 2.112 57 Q HA -0.112 4.187 4.340 -0.068 0.000 0.206 57 Q C 2.035 178.036 176.000 0.001 0.000 0.987 57 Q CA 2.639 58.476 55.803 0.057 0.000 0.858 57 Q CB -0.618 28.190 28.738 0.117 0.000 0.905 57 Q HN 0.836 nan 8.270 nan 0.000 0.420 58 S N -0.540 115.149 115.700 -0.019 0.000 2.370 58 S HA -0.058 4.371 4.470 -0.068 0.000 0.226 58 S C 0.933 175.517 174.600 -0.026 0.000 1.033 58 S CA 0.618 58.815 58.200 -0.005 0.000 1.011 58 S CB -0.585 62.607 63.200 -0.012 0.000 0.852 58 S HN 0.586 nan 8.310 nan 0.000 0.457 62 A N 0.810 123.653 122.820 0.038 0.000 1.877 62 A HA -0.247 4.032 4.320 -0.068 0.000 0.216 62 A C 1.684 179.192 177.584 -0.126 0.000 1.186 62 A CA 2.599 54.592 52.037 -0.073 0.000 0.620 62 A CB -0.716 18.244 19.000 -0.066 0.000 0.822 62 A HN 0.562 nan 8.150 nan 0.000 0.443 63 N N 0.044 118.695 118.700 -0.081 0.000 2.120 63 N HA -0.137 4.562 4.740 -0.068 0.000 0.188 63 N C 1.451 176.911 175.510 -0.084 0.000 1.024 63 N CA 1.853 54.850 53.050 -0.088 0.000 0.852 63 N CB -0.434 38.006 38.487 -0.078 0.000 1.003 63 N HN 0.147 nan 8.380 nan 0.000 0.424 64 V N 1.004 120.901 119.914 -0.030 0.000 2.324 64 V HA -0.240 3.839 4.120 -0.068 0.000 0.250 64 V C 2.658 178.715 176.094 -0.062 0.000 1.060 64 V CA 1.777 64.095 62.300 0.030 0.000 1.042 64 V CB -0.613 31.308 31.823 0.164 0.000 0.650 64 V HN 0.392 nan 8.190 nan 0.000 0.450 65 R N -0.329 119.963 120.500 -0.347 0.000 2.080 65 R HA -0.237 4.062 4.340 -0.068 0.000 0.236 65 R C 2.446 178.490 176.300 -0.426 0.000 1.137 65 R CA 2.216 57.762 56.100 -0.925 0.000 0.943 65 R CB -0.345 29.162 30.300 -1.322 0.000 0.846 65 R HN 0.695 nan 8.270 nan 0.000 0.431 66 E N -0.195 119.835 120.200 -0.283 0.000 2.085 66 E HA -0.232 4.077 4.350 -0.068 0.000 0.194 66 E C 1.930 178.455 176.600 -0.125 0.000 0.994 66 E CA 1.326 57.619 56.400 -0.180 0.000 0.801 66 E CB 0.182 29.800 29.700 -0.137 0.000 0.743 66 E HN 0.280 nan 8.360 nan 0.000 0.453 67 Q N 0.131 119.871 119.800 -0.100 0.000 2.083 67 Q HA -0.075 4.224 4.340 -0.068 0.000 0.198 67 Q C 2.458 178.439 176.000 -0.032 0.000 0.969 67 Q CA 0.916 56.682 55.803 -0.061 0.000 0.838 67 Q CB -0.246 28.461 28.738 -0.052 0.000 0.900 67 Q HN 0.409 nan 8.270 nan 0.000 0.436 68 L N 0.540 121.760 121.223 -0.005 0.000 2.109 68 L HA -0.168 4.131 4.340 -0.068 0.000 0.207 68 L C 2.517 179.406 176.870 0.032 0.000 1.086 68 L CA 0.967 55.840 54.840 0.056 0.000 0.760 68 L CB -0.458 41.687 42.059 0.143 0.000 0.910 68 L HN 0.261 nan 8.230 nan 0.000 0.437 69 Q N 0.054 119.848 119.800 -0.010 0.000 2.061 69 Q HA -0.206 4.093 4.340 -0.068 0.000 0.204 69 Q C 2.039 177.993 176.000 -0.077 0.000 0.984 69 Q CA 1.610 57.373 55.803 -0.066 0.000 0.846 69 Q CB -0.206 28.472 28.738 -0.100 0.000 0.902 69 Q HN 0.502 nan 8.270 nan 0.000 0.421 70 N N 0.972 119.631 118.700 -0.069 0.000 2.025 70 N HA -0.159 4.540 4.740 -0.068 0.000 0.194 70 N C 1.785 177.263 175.510 -0.053 0.000 1.044 70 N CA 0.897 53.909 53.050 -0.064 0.000 0.851 70 N CB -0.614 37.836 38.487 -0.062 0.000 1.036 70 N HN 0.165 nan 8.380 nan 0.000 0.422 71 L N 1.112 122.313 121.223 -0.036 0.000 2.034 71 L HA -0.210 4.089 4.340 -0.068 0.000 0.217 71 L C 1.186 178.039 176.870 -0.028 0.000 1.077 71 L CA 1.585 56.410 54.840 -0.025 0.000 0.769 71 L CB -0.265 41.802 42.059 0.015 0.000 0.890 71 L HN 0.321 nan 8.230 nan 0.000 0.435 72 N N -0.928 117.763 118.700 -0.015 0.000 2.325 72 N HA 0.029 4.728 4.740 -0.068 0.000 0.182 72 N C 1.032 176.511 175.510 -0.052 0.000 1.088 72 N CA 0.918 53.965 53.050 -0.005 0.000 0.879 72 N CB 0.786 39.302 38.487 0.048 0.000 0.983 72 N HN 0.438 nan 8.380 nan 0.000 0.471 73 G N 1.217 109.970 108.800 -0.080 0.000 2.212 73 G HA2 -0.203 3.716 3.960 -0.068 0.000 0.255 73 G HA3 -0.203 3.716 3.960 -0.068 0.000 0.255 73 G C -0.550 174.271 174.900 -0.133 0.000 1.062 73 G CA 0.300 45.343 45.100 -0.095 0.000 0.815 73 G HN 0.279 nan 8.290 nan 0.000 0.497 74 V N -0.967 118.844 119.914 -0.172 0.000 3.077 74 V HA 0.671 4.750 4.120 -0.068 0.000 0.299 74 V C -0.626 175.284 176.094 -0.306 0.000 1.276 74 V CA -0.545 61.600 62.300 -0.258 0.000 0.993 74 V CB 2.508 34.153 31.823 -0.298 0.000 1.076 74 V HN 0.678 nan 8.190 nan 0.000 0.434 75 V N 5.695 125.437 119.914 -0.287 0.000 2.448 75 V HA 0.565 4.644 4.120 -0.068 0.000 0.295 75 V C -0.491 175.503 176.094 -0.167 0.000 1.025 75 V CA -0.567 61.608 62.300 -0.208 0.000 0.859 75 V CB 1.508 33.267 31.823 -0.106 0.000 0.988 75 V HN 0.671 nan 8.190 nan 0.000 0.431 76 F N 3.690 123.677 119.950 0.061 0.000 2.375 76 F HA 0.358 4.844 4.527 -0.069 0.000 0.333 76 F C 1.242 177.111 175.800 0.114 0.000 1.104 76 F CA -0.360 57.739 58.000 0.165 0.000 1.149 76 F CB 0.717 39.798 39.000 0.135 0.000 1.190 76 F HN 0.650 nan 8.300 nan 0.000 0.533 77 N N 0.871 119.787 118.700 0.359 0.000 2.347 77 N HA 0.016 4.715 4.740 -0.068 0.000 0.253 77 N C -0.236 175.434 175.510 0.267 0.000 1.274 77 N CA -0.593 52.603 53.050 0.244 0.000 0.941 77 N CB 0.778 39.382 38.487 0.194 0.000 1.200 77 N HN 0.501 nan 8.380 nan 0.000 0.514 78 D N 0.077 120.591 120.400 0.191 0.000 2.144 78 D HA -0.141 4.458 4.640 -0.068 0.000 0.200 78 D C 1.909 178.337 176.300 0.213 0.000 0.978 78 D CA 1.025 55.145 54.000 0.200 0.000 0.833 78 D CB -0.424 40.456 40.800 0.133 0.000 0.961 78 D HN 0.597 nan 8.370 nan 0.000 0.470 79 S N 0.296 116.102 115.700 0.177 0.000 2.356 79 S HA -0.198 4.231 4.470 -0.068 0.000 0.223 79 S C 1.765 176.479 174.600 0.190 0.000 1.032 79 S CA 1.335 59.627 58.200 0.152 0.000 1.005 79 S CB -0.085 63.191 63.200 0.127 0.000 0.867 79 S HN 0.212 nan 8.310 nan 0.000 0.449 80 E N 0.303 120.668 120.200 0.276 0.000 2.038 80 E HA -0.175 4.134 4.350 -0.068 0.000 0.195 80 E C 1.855 178.593 176.600 0.231 0.000 1.000 80 E CA 1.388 58.019 56.400 0.384 0.000 0.803 80 E CB -0.446 29.594 29.700 0.566 0.000 0.750 80 E HN 0.754 nan 8.360 nan 0.000 0.448 81 W N 2.295 123.560 121.300 -0.058 0.000 2.335 81 W HA -0.250 4.369 4.660 -0.069 0.000 0.311 81 W C 2.296 178.749 176.519 -0.110 0.000 1.213 81 W CA 1.484 58.644 57.345 -0.308 0.000 1.274 81 W CB -0.198 29.122 29.460 -0.233 0.000 1.148 81 W HN 0.015 nan 8.180 nan 0.000 0.498 82 R N 0.680 121.155 120.500 -0.041 0.000 2.117 82 R HA -0.242 4.057 4.340 -0.068 0.000 0.243 82 R C 2.495 178.711 176.300 -0.141 0.000 1.143 82 R CA 2.042 58.072 56.100 -0.118 0.000 0.968 82 R CB -0.521 29.783 30.300 0.008 0.000 0.863 82 R HN 0.161 nan 8.270 nan 0.000 0.444 83 R N -0.801 119.680 120.500 -0.031 0.000 2.093 83 R HA -0.098 4.201 4.340 -0.068 0.000 0.224 83 R C 2.084 178.409 176.300 0.042 0.000 1.101 83 R CA 1.108 57.230 56.100 0.037 0.000 0.979 83 R CB -0.343 30.044 30.300 0.145 0.000 0.877 83 R HN 0.203 nan 8.270 nan 0.000 0.441 84 F N 1.293 121.114 119.950 -0.216 0.000 2.069 84 F HA -0.234 4.251 4.527 -0.069 0.000 0.298 84 F C 2.047 177.569 175.800 -0.463 0.000 1.113 84 F CA 2.235 59.975 58.000 -0.432 0.000 1.214 84 F CB -0.577 37.809 39.000 -1.022 0.000 0.978 84 F HN -0.034 nan 8.300 nan 0.000 0.474 85 T N -0.176 114.020 114.554 -0.596 0.000 2.684 85 T HA -0.246 4.063 4.350 -0.068 0.000 0.267 85 T C 1.772 176.260 174.700 -0.353 0.000 1.036 85 T CA 2.020 63.774 62.100 -0.576 0.000 1.148 85 T CB -0.359 68.147 68.868 -0.602 0.000 0.863 85 T HN 0.368 nan 8.240 nan 0.000 0.436 86 E N 0.267 120.315 120.200 -0.252 0.000 2.158 86 E HA -0.028 4.281 4.350 -0.068 0.000 0.191 86 E C 2.366 178.878 176.600 -0.147 0.000 0.982 86 E CA 0.703 57.005 56.400 -0.163 0.000 0.823 86 E CB 0.089 29.726 29.700 -0.106 0.000 0.766 86 E HN 0.513 nan 8.360 nan 0.000 0.468 87 Q N -1.716 117.995 119.800 -0.150 0.000 2.392 87 Q HA 0.021 4.320 4.340 -0.068 0.000 0.219 87 Q C 0.786 176.732 176.000 -0.090 0.000 0.895 87 Q CA 0.385 56.133 55.803 -0.092 0.000 0.929 87 Q CB 0.578 29.299 28.738 -0.029 0.000 1.077 87 Q HN 0.244 nan 8.270 nan 0.000 0.532 88 Y N -0.533 119.521 120.300 -0.409 0.000 3.011 88 Y HA 0.150 4.658 4.550 -0.069 0.000 0.231 88 Y C 1.606 177.232 175.900 -0.457 0.000 0.983 88 Y CA -0.066 57.748 58.100 -0.476 0.000 1.429 88 Y CB -0.146 37.892 38.460 -0.703 0.000 1.491 88 Y HN -0.121 nan 8.280 nan 0.000 0.444 89 L N 0.406 121.237 121.223 -0.653 0.000 2.012 89 L HA -0.163 4.136 4.340 -0.068 0.000 0.210 89 L C 0.206 176.947 176.870 -0.214 0.000 1.073 89 L CA 2.688 57.274 54.840 -0.423 0.000 0.748 89 L CB -0.173 41.651 42.059 -0.392 0.000 0.891 89 L HN 0.383 nan 8.230 nan 0.000 0.431 90 D N -0.785 119.467 120.400 -0.247 0.000 2.865 90 D HA 0.098 4.697 4.640 -0.068 0.000 0.347 90 D C -0.358 175.848 176.300 -0.156 0.000 1.498 90 D CA -0.323 53.583 54.000 -0.156 0.000 0.787 90 D CB 0.039 40.767 40.800 -0.120 0.000 1.190 90 D HN 0.197 nan 8.370 nan 0.000 0.445 91 N N 1.422 120.016 118.700 -0.177 0.000 2.292 91 N HA -0.057 4.642 4.740 -0.068 0.000 0.258 91 N C -1.759 173.685 175.510 -0.109 0.000 1.261 91 N CA -0.643 52.326 53.050 -0.135 0.000 0.845 91 N CB 0.925 39.334 38.487 -0.131 0.000 1.064 91 N HN 0.107 nan 8.380 nan 0.000 0.471 92 P HA -0.152 nan 4.420 nan 0.000 0.218 92 P C 1.070 178.334 177.300 -0.060 0.000 1.148 92 P CA 1.260 64.323 63.100 -0.062 0.000 0.822 92 P CB 0.161 31.832 31.700 -0.048 0.000 0.784 93 S N -2.995 112.666 115.700 -0.065 0.000 2.597 93 S HA 0.114 4.543 4.470 -0.068 0.000 0.224 93 S C 0.452 175.009 174.600 -0.072 0.000 0.955 93 S CA -0.461 57.704 58.200 -0.058 0.000 0.933 93 S CB -0.731 62.441 63.200 -0.047 0.000 0.788 93 S HN -0.070 nan 8.310 nan 0.000 0.488 94 D N 1.957 122.296 120.400 -0.101 0.000 2.372 94 D HA 0.588 5.187 4.640 -0.068 0.000 0.243 94 D C 0.637 176.869 176.300 -0.114 0.000 1.121 94 D CA 0.486 54.408 54.000 -0.130 0.000 0.898 94 D CB 1.276 41.956 40.800 -0.201 0.000 1.202 94 D HN 0.407 nan 8.370 nan 0.000 0.428 95 G N 0.487 109.225 108.800 -0.105 0.000 2.887 95 G HA2 0.349 4.268 3.960 -0.068 0.000 0.277 95 G HA3 0.349 4.268 3.960 -0.068 0.000 0.277 95 G C 1.199 176.028 174.900 -0.118 0.000 1.346 95 G CA -0.609 44.439 45.100 -0.086 0.000 1.058 95 G HN 0.474 nan 8.290 nan 0.000 0.535 96 I N -0.077 120.448 120.570 -0.076 0.000 2.208 96 I HA -0.176 3.953 4.170 -0.068 0.000 0.245 96 I C 2.632 178.691 176.117 -0.096 0.000 1.097 96 I CA 0.968 62.218 61.300 -0.083 0.000 1.363 96 I CB -0.152 37.846 38.000 -0.005 0.000 1.051 96 I HN 0.281 nan 8.210 nan 0.000 0.413 97 L N 0.084 121.286 121.223 -0.035 0.000 2.083 97 L HA -0.238 4.061 4.340 -0.068 0.000 0.209 97 L C 2.181 179.012 176.870 -0.064 0.000 1.083 97 L CA 1.341 56.189 54.840 0.012 0.000 0.752 97 L CB -0.821 41.298 42.059 0.101 0.000 0.899 97 L HN 0.353 nan 8.230 nan 0.000 0.433 98 D N 0.195 120.533 120.400 -0.103 0.000 2.117 98 D HA -0.155 4.444 4.640 -0.068 0.000 0.197 98 D C 2.106 178.252 176.300 -0.255 0.000 0.987 98 D CA 1.075 54.988 54.000 -0.145 0.000 0.829 98 D CB -0.023 40.686 40.800 -0.152 0.000 0.961 98 D HN 0.259 nan 8.370 nan 0.000 0.460 99 K N 0.587 120.759 120.400 -0.378 0.000 2.097 99 K HA -0.026 4.253 4.320 -0.068 0.000 0.205 99 K C 2.181 178.569 176.600 -0.353 0.000 1.050 99 K CA 0.677 56.615 56.287 -0.582 0.000 0.938 99 K CB -0.878 31.024 32.500 -0.997 0.000 0.718 99 K HN 0.112 nan 8.250 nan 0.000 0.442 100 T N 1.391 115.751 114.554 -0.323 0.000 2.788 100 T HA -0.128 4.181 4.350 -0.068 0.000 0.268 100 T C 1.956 176.321 174.700 -0.558 0.000 1.044 100 T CA 1.252 63.125 62.100 -0.379 0.000 1.139 100 T CB -0.068 68.509 68.868 -0.486 0.000 0.867 100 T HN 0.300 nan 8.240 nan 0.000 0.454 101 R N 1.038 121.239 120.500 -0.497 0.000 2.096 101 R HA -0.037 4.262 4.340 -0.068 0.000 0.235 101 R C 2.212 178.466 176.300 -0.077 0.000 1.127 101 R CA 1.349 57.304 56.100 -0.241 0.000 0.968 101 R CB -0.017 30.309 30.300 0.044 0.000 0.861 101 R HN 0.280 nan 8.270 nan 0.000 0.440 102 K N -0.040 120.294 120.400 -0.110 0.000 2.116 102 K HA -0.018 4.261 4.320 -0.068 0.000 0.203 102 K C 1.995 178.627 176.600 0.053 0.000 1.052 102 K CA 0.762 57.033 56.287 -0.026 0.000 0.952 102 K CB 0.073 32.489 32.500 -0.140 0.000 0.729 102 K HN 0.116 nan 8.250 nan 0.000 0.446 103 I N 0.775 121.314 120.570 -0.052 0.000 2.179 103 I HA -0.237 3.892 4.170 -0.068 0.000 0.242 103 I C 1.673 177.597 176.117 -0.322 0.000 1.088 103 I CA 1.941 63.119 61.300 -0.203 0.000 1.357 103 I CB -1.004 36.763 38.000 -0.389 0.000 1.051 103 I HN 0.250 nan 8.210 nan 0.000 0.409 104 H N -1.204 117.827 119.070 -0.064 0.000 2.595 104 H HA 0.272 4.787 4.556 -0.069 0.000 0.265 104 H C 1.864 177.267 175.328 0.125 0.000 0.953 104 H CA 0.514 56.547 56.048 -0.025 0.000 1.197 104 H CB 0.867 30.603 29.762 -0.044 0.000 1.438 104 H HN 0.220 nan 8.280 nan 0.000 0.531 105 I N -1.020 119.721 120.570 0.284 0.000 3.814 105 I HA 0.009 4.138 4.170 -0.068 0.000 0.264 105 I C -0.010 176.276 176.117 0.281 0.000 1.145 105 I CA -0.000 61.481 61.300 0.302 0.000 1.375 105 I CB 0.678 38.832 38.000 0.257 0.000 1.638 105 I HN -0.066 nan 8.210 nan 0.000 0.432 106 D N 2.026 122.546 120.400 0.200 0.000 3.057 106 D HA 0.092 4.691 4.640 -0.068 0.000 0.246 106 D C 0.279 176.699 176.300 0.202 0.000 1.238 106 D CA -0.033 54.047 54.000 0.133 0.000 0.949 106 D CB 0.006 40.882 40.800 0.127 0.000 1.086 106 D HN 0.456 nan 8.370 nan 0.000 0.487 107 Y N -1.195 119.159 120.300 0.090 0.000 2.466 107 Y HA 0.373 4.882 4.550 -0.069 0.000 0.272 107 Y C 0.231 176.171 175.900 0.066 0.000 1.169 107 Y CA -0.569 57.602 58.100 0.118 0.000 1.285 107 Y CB -0.092 38.403 38.460 0.058 0.000 1.078 107 Y HN -0.095 nan 8.280 nan 0.000 0.523 108 I N 1.545 121.845 120.570 -0.449 0.000 2.382 108 I HA 0.222 4.351 4.170 -0.068 0.000 0.286 108 I C -0.842 175.037 176.117 -0.397 0.000 1.002 108 I CA -0.968 59.991 61.300 -0.568 0.000 1.135 108 I CB 1.465 38.929 38.000 -0.893 0.000 1.288 108 I HN 0.179 nan 8.210 nan 0.000 0.448 109 C N 7.147 126.139 119.300 -0.513 0.000 2.265 109 C HA 0.345 4.764 4.460 -0.068 0.000 0.332 109 C C -0.017 174.843 174.990 -0.217 0.000 1.248 109 C CA -0.753 57.880 59.018 -0.642 0.000 1.727 109 C CB -0.597 26.389 27.740 -1.257 0.000 2.348 109 C HN 0.762 nan 8.230 nan 0.000 0.519 110 D N 4.644 124.963 120.400 -0.135 0.000 2.339 110 D HA 0.226 4.825 4.640 -0.068 0.000 0.241 110 D C -0.744 175.593 176.300 0.062 0.000 1.183 110 D CA -0.241 53.748 54.000 -0.017 0.000 0.859 110 D CB 0.399 41.176 40.800 -0.039 0.000 1.067 110 D HN 0.438 nan 8.370 nan 0.000 0.484 111 F N 2.783 122.719 119.950 -0.023 0.000 2.458 111 F HA 0.431 4.917 4.527 -0.069 0.000 0.336 111 F C -0.668 175.107 175.800 -0.041 0.000 1.114 111 F CA -1.384 56.580 58.000 -0.059 0.000 0.987 111 F CB 1.216 40.169 39.000 -0.077 0.000 1.130 111 F HN 0.275 nan 8.300 nan 0.000 0.458 112 I N 7.215 127.325 120.570 -0.767 0.000 2.304 112 I HA 0.179 4.308 4.170 -0.068 0.000 0.291 112 I C -0.594 175.107 176.117 -0.693 0.000 1.018 112 I CA -0.213 60.809 61.300 -0.463 0.000 1.260 112 I CB 0.582 38.399 38.000 -0.305 0.000 1.390 112 I HN 0.488 nan 8.210 nan 0.000 0.475 113 F N 4.992 124.823 119.950 -0.198 0.000 2.352 113 F HA 0.160 4.646 4.527 -0.069 0.000 0.304 113 F C 1.738 177.525 175.800 -0.022 0.000 1.215 113 F CA -0.224 57.777 58.000 0.003 0.000 1.121 113 F CB 0.297 39.370 39.000 0.120 0.000 1.329 113 F HN 0.420 nan 8.300 nan 0.000 0.528 114 D N -0.007 120.545 120.400 0.254 0.000 2.178 114 D HA -0.132 4.467 4.640 -0.068 0.000 0.202 114 D C 1.491 177.855 176.300 0.107 0.000 0.974 114 D CA 1.354 55.436 54.000 0.136 0.000 0.841 114 D CB -0.430 40.458 40.800 0.148 0.000 0.953 114 D HN 0.522 nan 8.370 nan 0.000 0.478 115 D N 0.100 120.580 120.400 0.132 0.000 2.336 115 D HA -0.077 4.522 4.640 -0.068 0.000 0.229 115 D C 0.446 176.783 176.300 0.061 0.000 1.061 115 D CA 0.207 54.251 54.000 0.074 0.000 0.875 115 D CB -0.250 40.578 40.800 0.046 0.000 0.904 115 D HN 0.243 nan 8.370 nan 0.000 0.525 116 E N -0.943 119.306 120.200 0.082 0.000 3.927 116 E HA -0.233 4.076 4.350 -0.068 0.000 0.330 116 E C -0.002 176.634 176.600 0.059 0.000 0.751 116 E CA 0.476 56.904 56.400 0.047 0.000 1.254 116 E CB -0.690 29.022 29.700 0.020 0.000 1.643 116 E HN 0.662 nan 8.360 nan 0.000 0.430 117 R N 1.065 121.620 120.500 0.091 0.000 2.582 117 R HA 0.375 4.674 4.340 -0.068 0.000 0.271 117 R C -0.304 176.111 176.300 0.191 0.000 1.078 117 R CA -0.361 55.785 56.100 0.077 0.000 1.127 117 R CB 0.746 31.030 30.300 -0.025 0.000 1.038 117 R HN 0.095 nan 8.270 nan 0.000 0.500 118 L N 2.440 123.744 121.223 0.135 0.000 2.333 118 L HA 0.474 4.773 4.340 -0.068 0.000 0.280 118 L C -1.081 175.903 176.870 0.189 0.000 1.004 118 L CA -0.314 54.621 54.840 0.159 0.000 0.820 118 L CB 1.525 43.625 42.059 0.069 0.000 1.247 118 L HN 0.923 nan 8.230 nan 0.000 0.416 119 E N 3.802 124.187 120.200 0.309 0.000 2.321 119 E HA 0.308 4.617 4.350 -0.068 0.000 0.278 119 E C -1.110 175.631 176.600 0.236 0.000 0.902 119 E CA -0.885 55.675 56.400 0.267 0.000 0.758 119 E CB 2.053 31.948 29.700 0.326 0.000 1.213 119 E HN 0.529 nan 8.360 nan 0.000 0.426 120 N N 2.869 121.656 118.700 0.146 0.000 2.452 120 N HA 0.148 4.847 4.740 -0.068 0.000 0.266 120 N C -0.500 175.088 175.510 0.130 0.000 1.175 120 N CA 0.220 53.308 53.050 0.063 0.000 0.945 120 N CB 0.678 39.168 38.487 0.005 0.000 1.063 120 N HN 0.374 nan 8.380 nan 0.000 0.472 121 I N 3.715 124.322 120.570 0.061 0.000 2.328 121 I HA 0.194 4.323 4.170 -0.068 0.000 0.287 121 I C -0.165 176.014 176.117 0.102 0.000 1.012 121 I CA -0.660 60.725 61.300 0.143 0.000 1.195 121 I CB -0.342 37.742 38.000 0.139 0.000 1.350 121 I HN 0.251 nan 8.210 nan 0.000 0.464 122 Y N 5.324 125.685 120.300 0.102 0.000 2.319 122 Y HA 0.229 4.737 4.550 -0.069 0.000 0.328 122 Y C 1.416 177.441 175.900 0.207 0.000 1.133 122 Y CA -0.256 57.937 58.100 0.154 0.000 1.265 122 Y CB 1.239 39.786 38.460 0.146 0.000 1.218 122 Y HN 0.440 nan 8.280 nan 0.000 0.508 123 L N 3.003 124.460 121.223 0.390 0.000 2.131 123 L HA 0.020 4.319 4.340 -0.068 0.000 0.206 123 L C -0.098 176.884 176.870 0.187 0.000 1.087 123 L CA 0.934 55.943 54.840 0.281 0.000 0.767 123 L CB 0.035 42.239 42.059 0.242 0.000 0.917 123 L HN 0.467 nan 8.230 nan 0.000 0.441 124 I N -0.738 119.982 120.570 0.250 0.000 2.647 124 I HA 0.226 4.355 4.170 -0.068 0.000 0.295 124 I C -0.853 175.383 176.117 0.197 0.000 1.078 124 I CA -0.786 60.580 61.300 0.109 0.000 1.048 124 I CB 1.825 39.791 38.000 -0.058 0.000 1.239 124 I HN -0.159 nan 8.210 nan 0.000 0.421 125 D N 5.429 125.868 120.400 0.064 0.000 2.365 125 D HA 0.203 4.802 4.640 -0.068 0.000 0.237 125 D C 0.685 176.973 176.300 -0.020 0.000 1.190 125 D CA -0.021 53.984 54.000 0.007 0.000 0.867 125 D CB 1.090 41.843 40.800 -0.079 0.000 1.050 125 D HN 0.422 nan 8.370 nan 0.000 0.491 126 K N 2.755 123.157 120.400 0.003 0.000 2.314 126 K HA -0.012 4.267 4.320 -0.068 0.000 0.198 126 K C 1.315 177.893 176.600 -0.036 0.000 1.045 126 K CA 0.317 56.565 56.287 -0.065 0.000 0.988 126 K CB 0.579 33.004 32.500 -0.125 0.000 0.783 126 K HN 0.118 nan 8.250 nan 0.000 0.484 127 K N 1.136 121.531 120.400 -0.008 0.000 2.116 127 K HA -0.010 4.269 4.320 -0.068 0.000 0.203 127 K C 0.653 177.239 176.600 -0.023 0.000 1.052 127 K CA 0.831 57.111 56.287 -0.012 0.000 0.952 127 K CB 0.140 32.635 32.500 -0.008 0.000 0.729 127 K HN 0.031 nan 8.250 nan 0.000 0.446 128 N N 0.928 119.606 118.700 -0.037 0.000 3.012 128 N HA 0.143 4.842 4.740 -0.068 0.000 0.270 128 N C -0.744 174.745 175.510 -0.036 0.000 1.469 128 N CA -0.197 52.833 53.050 -0.033 0.000 0.928 128 N CB 0.285 38.745 38.487 -0.046 0.000 1.219 128 N HN -0.030 nan 8.380 nan 0.000 0.492 132 N N 2.701 121.363 118.700 -0.063 0.000 2.454 132 N HA -0.028 4.671 4.740 -0.068 0.000 0.254 132 N C -0.223 175.237 175.510 -0.084 0.000 1.228 132 N CA 0.483 53.493 53.050 -0.067 0.000 0.900 132 N CB 0.915 39.360 38.487 -0.069 0.000 1.089 132 N HN -0.082 nan 8.380 nan 0.000 0.449 133 K N 1.659 122.012 120.400 -0.079 0.000 2.297 133 K HA 0.189 4.468 4.320 -0.068 0.000 0.286 133 K C -0.801 175.737 176.600 -0.102 0.000 1.053 133 K CA -0.532 55.702 56.287 -0.089 0.000 0.940 133 K CB 0.352 32.809 32.500 -0.070 0.000 1.019 133 K HN 0.358 nan 8.250 nan 0.000 0.475 134 V N 1.742 121.569 119.914 -0.145 0.000 2.459 134 V HA 0.595 4.674 4.120 -0.068 0.000 0.295 134 V C -0.666 175.413 176.094 -0.025 0.000 1.029 134 V CA -0.616 61.610 62.300 -0.122 0.000 0.874 134 V CB 1.304 32.950 31.823 -0.294 0.000 0.985 134 V HN 0.815 nan 8.190 nan 0.000 0.438 135 Q N 3.927 123.760 119.800 0.055 0.000 2.528 135 Q HA 0.815 5.114 4.340 -0.068 0.000 0.289 135 Q C -0.992 175.053 176.000 0.076 0.000 1.091 135 Q CA -0.932 54.909 55.803 0.063 0.000 0.797 135 Q CB 3.219 31.941 28.738 -0.027 0.000 1.466 135 Q HN 0.949 nan 8.270 nan 0.000 0.436 136 I N -1.276 119.305 120.570 0.017 0.000 2.730 136 I HA 0.741 4.870 4.170 -0.068 0.000 0.298 136 I C -0.735 175.257 176.117 -0.208 0.000 1.089 136 I CA -1.189 60.084 61.300 -0.044 0.000 1.041 136 I CB 1.765 39.770 38.000 0.009 0.000 1.235 136 I HN 0.675 nan 8.210 nan 0.000 0.423 137 I N 1.335 121.815 120.570 -0.150 0.000 3.145 137 I HA 0.610 4.739 4.170 -0.068 0.000 0.313 137 I C -0.843 175.281 176.117 0.012 0.000 1.122 137 I CA -0.824 60.352 61.300 -0.206 0.000 0.987 137 I CB 2.218 40.172 38.000 -0.077 0.000 1.236 137 I HN 0.866 nan 8.210 nan 0.000 0.453 138 Q N 1.624 121.477 119.800 0.088 0.000 2.385 138 Q HA 0.362 4.661 4.340 -0.068 0.000 0.262 138 Q C -1.072 175.008 176.000 0.134 0.000 1.050 138 Q CA -0.996 54.898 55.803 0.151 0.000 0.903 138 Q CB 0.969 29.839 28.738 0.220 0.000 1.325 138 Q HN 0.685 nan 8.270 nan 0.000 0.485 139 Q N 1.136 120.975 119.800 0.065 0.000 2.247 139 Q HA 0.088 4.387 4.340 -0.068 0.000 0.288 139 Q C -1.162 174.857 176.000 0.032 0.000 1.079 139 Q CA 0.217 55.996 55.803 -0.039 0.000 0.932 139 Q CB -0.427 28.253 28.738 -0.097 0.000 1.133 139 Q HN 0.548 nan 8.270 nan 0.000 0.377 140 F N -0.524 119.412 119.950 -0.024 0.000 2.482 140 F HA 0.865 5.351 4.527 -0.068 0.000 0.331 140 F C -0.344 175.427 175.800 -0.049 0.000 1.115 140 F CA -0.076 57.911 58.000 -0.022 0.000 0.955 140 F CB 1.486 40.493 39.000 0.012 0.000 1.136 140 F HN 0.796 nan 8.300 nan 0.000 0.452 149 R N 0.551 120.964 120.500 -0.146 0.000 2.522 149 R HA 0.719 5.018 4.340 -0.068 0.000 0.273 149 R C -1.437 174.811 176.300 -0.086 0.000 1.133 149 R CA -0.678 55.392 56.100 -0.051 0.000 0.969 149 R CB -0.179 30.091 30.300 -0.050 0.000 1.235 149 R HN 0.590 nan 8.270 nan 0.000 0.433 150 Y N 1.401 121.690 120.300 -0.019 0.000 2.319 150 Y HA 0.613 5.122 4.550 -0.068 0.000 0.328 150 Y C 0.046 175.949 175.900 0.006 0.000 1.133 150 Y CA -0.079 58.020 58.100 -0.003 0.000 1.265 150 Y CB 1.439 39.902 38.460 0.005 0.000 1.218 150 Y HN 0.724 nan 8.280 nan 0.000 0.508 151 D N 0.574 121.060 120.400 0.142 0.000 2.717 151 D HA 0.499 5.098 4.640 -0.068 0.000 0.223 151 D C -1.526 174.830 176.300 0.094 0.000 1.240 151 D CA -0.453 53.606 54.000 0.097 0.000 0.801 151 D CB 2.345 43.163 40.800 0.031 0.000 1.556 151 D HN 0.183 nan 8.370 nan 0.000 0.462 152 V N 1.330 121.297 119.914 0.090 0.000 2.540 152 V HA 0.623 4.702 4.120 -0.068 0.000 0.302 152 V C -0.298 175.819 176.094 0.038 0.000 1.035 152 V CA -0.438 61.905 62.300 0.073 0.000 0.873 152 V CB 2.096 33.959 31.823 0.067 0.000 0.992 152 V HN 0.607 nan 8.190 nan 0.000 0.428 153 T N 5.871 120.449 114.554 0.040 0.000 2.823 153 T HA 0.649 4.958 4.350 -0.068 0.000 0.279 153 T C -0.257 174.415 174.700 -0.046 0.000 0.998 153 T CA -0.246 61.873 62.100 0.031 0.000 0.994 153 T CB 1.349 70.312 68.868 0.158 0.000 0.960 153 T HN 0.371 nan 8.240 nan 0.000 0.448 154 I N 3.551 124.058 120.570 -0.105 0.000 2.331 154 I HA 0.350 4.479 4.170 -0.068 0.000 0.292 154 I C -0.353 175.715 176.117 -0.081 0.000 0.998 154 I CA -0.712 60.517 61.300 -0.118 0.000 1.267 154 I CB 0.921 38.789 38.000 -0.220 0.000 1.386 154 I HN 0.334 nan 8.210 nan 0.000 0.476 155 L N 6.982 128.171 121.223 -0.056 0.000 2.307 155 L HA 0.563 4.862 4.340 -0.068 0.000 0.284 155 L C -0.593 176.234 176.870 -0.072 0.000 1.023 155 L CA -0.937 53.852 54.840 -0.085 0.000 0.810 155 L CB 1.723 43.728 42.059 -0.090 0.000 1.231 155 L HN 0.252 nan 8.230 nan 0.000 0.423 156 V N 3.105 122.959 119.914 -0.100 0.000 2.357 156 V HA 0.257 4.336 4.120 -0.068 0.000 0.284 156 V C 0.143 176.178 176.094 -0.098 0.000 1.018 156 V CA -0.658 61.587 62.300 -0.093 0.000 0.841 156 V CB 1.149 32.913 31.823 -0.098 0.000 0.991 156 V HN 0.890 nan 8.190 nan 0.000 0.437 157 N N 4.321 122.974 118.700 -0.077 0.000 2.710 157 N HA -0.239 4.460 4.740 -0.068 0.000 0.249 157 N C 1.224 176.690 175.510 -0.072 0.000 1.059 157 N CA 1.514 54.527 53.050 -0.061 0.000 0.720 157 N CB -1.007 37.460 38.487 -0.034 0.000 0.983 157 N HN 1.479 nan 8.380 nan 0.000 0.544 158 G N -1.781 106.966 108.800 -0.089 0.000 2.195 158 G HA2 -0.318 3.601 3.960 -0.068 0.000 0.246 158 G HA3 -0.318 3.601 3.960 -0.068 0.000 0.246 158 G C 0.016 174.828 174.900 -0.146 0.000 0.984 158 G CA 0.393 45.434 45.100 -0.097 0.000 0.633 158 G HN 0.392 nan 8.290 nan 0.000 0.525 159 L N 2.563 123.671 121.223 -0.192 0.000 2.305 159 L HA 0.432 4.731 4.340 -0.068 0.000 0.281 159 L C -1.789 174.938 176.870 -0.237 0.000 1.085 159 L CA -2.189 52.474 54.840 -0.295 0.000 0.813 159 L CB 1.248 43.036 42.059 -0.452 0.000 1.157 159 L HN -0.070 nan 8.230 nan 0.000 0.436 160 P HA 0.108 nan 4.420 nan 0.000 0.274 160 P C 0.074 177.291 177.300 -0.138 0.000 1.291 160 P CA 0.071 63.031 63.100 -0.233 0.000 0.815 160 P CB 0.714 32.119 31.700 -0.492 0.000 0.897 161 L N 2.708 123.859 121.223 -0.121 0.000 2.781 161 L HA 0.252 4.551 4.340 -0.068 0.000 0.245 161 L C 0.410 177.197 176.870 -0.139 0.000 1.118 161 L CA 0.074 54.849 54.840 -0.109 0.000 0.918 161 L CB 0.589 42.586 42.059 -0.102 0.000 1.246 161 L HN 0.060 nan 8.230 nan 0.000 0.526 162 V N 0.277 120.105 119.914 -0.143 0.000 2.686 162 V HA 0.394 4.473 4.120 -0.068 0.000 0.306 162 V C -0.710 175.304 176.094 -0.134 0.000 1.065 162 V CA -0.613 61.589 62.300 -0.164 0.000 0.894 162 V CB 2.368 34.100 31.823 -0.152 0.000 1.004 162 V HN 0.041 nan 8.190 nan 0.000 0.424 163 Q N 3.680 123.383 119.800 -0.161 0.000 2.333 163 Q HA 0.600 4.899 4.340 -0.068 0.000 0.268 163 Q C -1.301 174.757 176.000 0.097 0.000 1.007 163 Q CA -0.516 55.283 55.803 -0.007 0.000 0.810 163 Q CB 2.620 31.394 28.738 0.059 0.000 1.264 163 Q HN 0.711 nan 8.270 nan 0.000 0.452 164 I N 2.122 122.758 120.570 0.110 0.000 2.328 164 I HA 0.204 4.333 4.170 -0.068 0.000 0.287 164 I C 0.108 176.317 176.117 0.152 0.000 1.012 164 I CA -0.253 61.139 61.300 0.153 0.000 1.195 164 I CB 1.197 39.294 38.000 0.161 0.000 1.350 164 I HN 0.316 nan 8.210 nan 0.000 0.464 165 E N 6.461 126.770 120.200 0.182 0.000 2.200 165 E HA 0.550 4.859 4.350 -0.068 0.000 0.283 165 E C -1.010 175.665 176.600 0.125 0.000 1.015 165 E CA -0.408 56.091 56.400 0.165 0.000 0.819 165 E CB 1.220 31.044 29.700 0.208 0.000 1.081 165 E HN 0.457 nan 8.360 nan 0.000 0.397 166 L N 3.526 124.812 121.223 0.105 0.000 2.329 166 L HA 0.550 4.849 4.340 -0.068 0.000 0.279 166 L C -0.007 176.874 176.870 0.018 0.000 1.014 166 L CA -0.928 53.940 54.840 0.047 0.000 0.814 166 L CB 0.979 43.049 42.059 0.019 0.000 1.257 166 L HN 0.247 nan 8.230 nan 0.000 0.424 167 K N 2.142 122.529 120.400 -0.022 0.000 2.435 167 K HA 0.458 4.737 4.320 -0.068 0.000 0.251 167 K C -0.797 175.752 176.600 -0.086 0.000 0.954 167 K CA -0.995 55.276 56.287 -0.027 0.000 0.820 167 K CB 2.478 34.990 32.500 0.019 0.000 1.292 167 K HN 0.407 nan 8.250 nan 0.000 0.436 168 K N 1.433 121.782 120.400 -0.085 0.000 2.455 168 K HA -0.008 4.271 4.320 -0.068 0.000 0.269 168 K C 1.308 177.861 176.600 -0.078 0.000 0.972 168 K CA -0.037 56.190 56.287 -0.100 0.000 0.938 168 K CB 0.508 32.972 32.500 -0.061 0.000 0.931 168 K HN 0.292 nan 8.250 nan 0.000 0.507 169 R N 1.293 121.739 120.500 -0.090 0.000 2.127 169 R HA -0.135 4.164 4.340 -0.068 0.000 0.238 169 R C 2.050 178.339 176.300 -0.018 0.000 1.134 169 R CA 1.666 57.734 56.100 -0.053 0.000 0.975 169 R CB -0.932 29.344 30.300 -0.040 0.000 0.865 169 R HN 0.925 nan 8.270 nan 0.000 0.447 170 G N 0.509 109.300 108.800 -0.015 0.000 2.432 170 G HA2 -0.135 3.784 3.960 -0.068 0.000 0.219 170 G HA3 -0.135 3.784 3.960 -0.068 0.000 0.219 170 G C 0.595 175.497 174.900 0.004 0.000 1.135 170 G CA 0.193 45.291 45.100 -0.002 0.000 0.767 170 G HN 0.125 nan 8.290 nan 0.000 0.550 171 V N 1.674 121.591 119.914 0.005 0.000 2.508 171 V HA 0.491 4.570 4.120 -0.068 0.000 0.281 171 V C 0.850 176.955 176.094 0.017 0.000 1.041 171 V CA -0.788 61.522 62.300 0.018 0.000 1.016 171 V CB 0.860 32.696 31.823 0.021 0.000 0.984 171 V HN 0.409 nan 8.190 nan 0.000 0.478 172 A N 5.605 128.432 122.820 0.011 0.000 2.505 172 A HA 0.203 4.482 4.320 -0.068 0.000 0.271 172 A C 1.280 178.862 177.584 -0.004 0.000 1.112 172 A CA -0.011 52.021 52.037 -0.009 0.000 0.781 172 A CB -0.341 18.639 19.000 -0.034 0.000 1.059 172 A HN 0.932 nan 8.150 nan 0.000 0.508 173 I N 1.918 122.497 120.570 0.015 0.000 2.264 173 I HA -0.248 3.881 4.170 -0.068 0.000 0.248 173 I C 2.656 178.798 176.117 0.041 0.000 1.111 173 I CA 1.590 62.939 61.300 0.081 0.000 1.382 173 I CB -0.072 38.019 38.000 0.152 0.000 1.060 173 I HN 0.935 nan 8.210 nan 0.000 0.418 174 R N 0.517 120.876 120.500 -0.235 0.000 2.096 174 R HA -0.254 4.045 4.340 -0.068 0.000 0.235 174 R C 2.162 178.346 176.300 -0.193 0.000 1.127 174 R CA 1.825 57.544 56.100 -0.636 0.000 0.968 174 R CB -0.100 29.582 30.300 -1.030 0.000 0.861 174 R HN 0.236 nan 8.270 nan 0.000 0.440 175 E N 0.427 120.582 120.200 -0.074 0.000 2.072 175 E HA -0.085 4.224 4.350 -0.068 0.000 0.191 175 E C 1.654 178.298 176.600 0.074 0.000 0.985 175 E CA 1.590 58.011 56.400 0.034 0.000 0.801 175 E CB -0.184 29.558 29.700 0.070 0.000 0.750 175 E HN 0.411 nan 8.360 nan 0.000 0.452 176 A N 0.188 123.058 122.820 0.082 0.000 1.877 176 A HA -0.157 4.122 4.320 -0.068 0.000 0.216 176 A C 2.270 179.944 177.584 0.150 0.000 1.186 176 A CA 1.513 53.610 52.037 0.100 0.000 0.620 176 A CB -1.166 17.901 19.000 0.111 0.000 0.822 176 A HN 0.486 nan 8.150 nan 0.000 0.443 177 F N 1.508 121.507 119.950 0.082 0.000 2.091 177 F HA -0.288 4.198 4.527 -0.068 0.000 0.299 177 F C 1.999 177.850 175.800 0.084 0.000 1.103 177 F CA 2.215 60.287 58.000 0.120 0.000 1.228 177 F CB -0.236 38.852 39.000 0.147 0.000 0.984 177 F HN 0.219 nan 8.300 nan 0.000 0.477 178 N N 0.412 119.277 118.700 0.275 0.000 2.272 178 N HA -0.196 4.503 4.740 -0.068 0.000 0.185 178 N C 1.673 177.163 175.510 -0.033 0.000 1.014 178 N CA 1.441 54.582 53.050 0.153 0.000 0.870 178 N CB -0.362 38.200 38.487 0.124 0.000 0.975 178 N HN 0.591 nan 8.380 nan 0.000 0.433 179 Q N -0.656 119.107 119.800 -0.061 0.000 2.302 179 Q HA 0.173 4.472 4.340 -0.068 0.000 0.202 179 Q C 1.323 177.200 176.000 -0.205 0.000 0.936 179 Q CA 0.494 56.226 55.803 -0.117 0.000 0.886 179 Q CB 0.503 29.190 28.738 -0.086 0.000 0.986 179 Q HN 0.308 nan 8.270 nan 0.000 0.487 180 I N -0.604 119.786 120.570 -0.299 0.000 3.854 180 I HA 0.091 4.220 4.170 -0.068 0.000 0.312 180 I C 0.756 176.423 176.117 -0.749 0.000 1.273 180 I CA 0.646 61.619 61.300 -0.545 0.000 1.298 180 I CB -0.209 37.374 38.000 -0.694 0.000 1.071 180 I HN 0.132 nan 8.210 nan 0.000 0.428 192 N N 0.142 118.907 118.700 0.109 0.000 2.499 192 N HA 0.368 5.067 4.740 -0.068 0.000 0.281 192 N C 1.142 176.818 175.510 0.278 0.000 1.098 192 N CA 0.389 53.570 53.050 0.219 0.000 0.979 192 N CB 1.278 39.965 38.487 0.333 0.000 1.121 192 N HN 0.618 nan 8.380 nan 0.000 0.466 193 S N 2.188 117.988 115.700 0.167 0.000 2.496 193 S HA 0.024 4.453 4.470 -0.068 0.000 0.224 193 S C 1.514 176.167 174.600 0.089 0.000 0.996 193 S CA 0.213 58.472 58.200 0.098 0.000 0.927 193 S CB -0.117 63.105 63.200 0.037 0.000 0.774 193 S HN 0.519 nan 8.310 nan 0.000 0.524 194 L N -0.296 120.983 121.223 0.093 0.000 2.456 194 L HA 0.140 4.439 4.340 -0.068 0.000 0.224 194 L C 1.491 178.339 176.870 -0.037 0.000 1.148 194 L CA 0.807 55.674 54.840 0.046 0.000 0.825 194 L CB -0.533 41.478 42.059 -0.080 0.000 0.937 194 L HN 0.285 nan 8.230 nan 0.000 0.450 195 F N 0.003 119.998 119.950 0.076 0.000 2.748 195 F HA -0.046 4.440 4.527 -0.068 0.000 0.299 195 F C 2.092 177.898 175.800 0.010 0.000 1.154 195 F CA 0.532 58.554 58.000 0.037 0.000 1.446 195 F CB -0.275 38.726 39.000 0.002 0.000 1.112 195 F HN -0.073 nan 8.300 nan 0.000 0.584 196 K N -0.683 119.774 120.400 0.096 0.000 2.360 196 K HA -0.198 4.081 4.320 -0.068 0.000 0.201 196 K C 1.103 177.614 176.600 -0.148 0.000 1.046 196 K CA 1.214 57.471 56.287 -0.049 0.000 0.940 196 K CB -0.303 32.102 32.500 -0.158 0.000 0.748 196 K HN 0.355 nan 8.250 nan 0.000 0.465 197 Y N 0.887 121.135 120.300 -0.087 0.000 2.544 197 Y HA 0.037 4.546 4.550 -0.069 0.000 0.286 197 Y C 0.690 176.514 175.900 -0.128 0.000 1.141 197 Y CA -0.165 57.858 58.100 -0.128 0.000 1.299 197 Y CB 0.078 38.440 38.460 -0.162 0.000 1.030 197 Y HN -0.059 nan 8.280 nan 0.000 0.543 198 L N 1.403 122.629 121.223 0.005 0.000 2.578 198 L HA -0.162 4.137 4.340 -0.068 0.000 0.279 198 L C 1.102 177.889 176.870 -0.139 0.000 1.227 198 L CA 0.209 54.978 54.840 -0.119 0.000 0.900 198 L CB 0.609 42.526 42.059 -0.236 0.000 1.144 198 L HN 0.263 nan 8.230 nan 0.000 0.496 199 Q N 2.689 122.401 119.800 -0.147 0.000 2.423 199 Q HA 0.279 4.578 4.340 -0.068 0.000 0.231 199 Q C -0.504 175.436 176.000 -0.100 0.000 0.894 199 Q CA 0.386 56.153 55.803 -0.060 0.000 0.938 199 Q CB 0.733 29.474 28.738 0.004 0.000 1.079 199 Q HN 0.466 nan 8.270 nan 0.000 0.552 200 L N 0.200 121.279 121.223 -0.240 0.000 2.464 200 L HA 0.485 4.784 4.340 -0.068 0.000 0.266 200 L C -1.617 174.989 176.870 -0.439 0.000 0.965 200 L CA -0.516 54.214 54.840 -0.183 0.000 0.833 200 L CB 1.491 43.529 42.059 -0.034 0.000 1.296 200 L HN -0.156 nan 8.230 nan 0.000 0.405 201 F N 3.978 123.706 119.950 -0.371 0.000 2.450 201 F HA 0.774 5.260 4.527 -0.068 0.000 0.332 201 F C -0.049 175.511 175.800 -0.400 0.000 1.093 201 F CA -0.691 56.989 58.000 -0.533 0.000 1.003 201 F CB 2.101 40.386 39.000 -1.192 0.000 1.151 201 F HN 0.134 nan 8.300 nan 0.000 0.474 202 V N 4.370 124.337 119.914 0.089 0.000 2.656 202 V HA 0.520 4.599 4.120 -0.068 0.000 0.307 202 V C -0.812 175.391 176.094 0.182 0.000 1.051 202 V CA -0.897 61.484 62.300 0.135 0.000 0.893 202 V CB 2.294 34.195 31.823 0.130 0.000 0.999 202 V HN 0.680 nan 8.190 nan 0.000 0.426 203 I N 2.846 123.541 120.570 0.207 0.000 2.582 203 I HA 0.795 4.924 4.170 -0.068 0.000 0.292 203 I C -0.836 175.342 176.117 0.101 0.000 1.066 203 I CA 0.104 61.532 61.300 0.213 0.000 1.053 203 I CB 2.191 40.408 38.000 0.361 0.000 1.241 203 I HN 0.678 nan 8.210 nan 0.000 0.421 204 S N 4.898 120.636 115.700 0.064 0.000 2.546 204 S HA 0.389 4.818 4.470 -0.068 0.000 0.272 204 S C -0.332 174.276 174.600 0.012 0.000 1.140 204 S CA -0.799 57.407 58.200 0.009 0.000 0.920 204 S CB 1.162 64.333 63.200 -0.047 0.000 1.083 204 S HN 0.841 nan 8.310 nan 0.000 0.476 205 N N 2.838 121.545 118.700 0.011 0.000 2.273 205 N HA 0.351 5.050 4.740 -0.068 0.000 0.231 205 N C 1.087 176.572 175.510 -0.042 0.000 1.134 205 N CA -0.035 53.004 53.050 -0.018 0.000 0.856 205 N CB 0.624 39.114 38.487 0.004 0.000 1.068 205 N HN 0.882 nan 8.380 nan 0.000 0.510 206 G N 1.021 109.807 108.800 -0.024 0.000 2.812 206 G HA2 -0.393 3.526 3.960 -0.068 0.000 0.219 206 G HA3 -0.393 3.526 3.960 -0.068 0.000 0.219 206 G C 1.072 176.057 174.900 0.142 0.000 1.275 206 G CA 0.750 45.871 45.100 0.035 0.000 0.769 206 G HN 0.394 nan 8.290 nan 0.000 0.527 207 T N -0.136 114.477 114.554 0.099 0.000 3.035 207 T HA 0.352 4.661 4.350 -0.068 0.000 0.259 207 T C 0.510 175.266 174.700 0.094 0.000 1.078 207 T CA 1.461 63.626 62.100 0.107 0.000 1.132 207 T CB 0.284 69.202 68.868 0.085 0.000 0.900 207 T HN 0.585 nan 8.240 nan 0.000 0.480 208 D N 0.206 120.651 120.400 0.075 0.000 2.547 208 D HA 0.525 5.124 4.640 -0.068 0.000 0.231 208 D C -1.446 174.876 176.300 0.036 0.000 1.099 208 D CA -0.361 53.684 54.000 0.075 0.000 0.901 208 D CB 2.211 43.061 40.800 0.083 0.000 1.478 208 D HN -0.112 nan 8.370 nan 0.000 0.471 209 T N 2.072 116.633 114.554 0.012 0.000 3.483 209 T HA 0.451 4.760 4.350 -0.068 0.000 0.329 209 T C -0.641 174.014 174.700 -0.075 0.000 1.014 209 T CA -0.716 61.295 62.100 -0.148 0.000 1.056 209 T CB 0.912 69.520 68.868 -0.434 0.000 1.090 209 T HN 0.256 nan 8.240 nan 0.000 0.460 210 R N 1.903 122.409 120.500 0.010 0.000 2.670 210 R HA 0.678 4.977 4.340 -0.068 0.000 0.289 210 R C -1.138 175.322 176.300 0.268 0.000 0.965 210 R CA -1.124 55.050 56.100 0.124 0.000 0.899 210 R CB 1.928 32.251 30.300 0.038 0.000 1.173 210 R HN 0.724 nan 8.270 nan 0.000 0.456 211 Y N 0.521 120.952 120.300 0.219 0.000 2.496 211 Y HA 0.810 5.319 4.550 -0.069 0.000 0.331 211 Y C -0.662 175.477 175.900 0.398 0.000 1.140 211 Y CA -1.588 56.663 58.100 0.251 0.000 1.166 211 Y CB 0.997 39.599 38.460 0.237 0.000 1.249 211 Y HN 0.586 nan 8.280 nan 0.000 0.479 212 F N -0.727 119.369 119.950 0.242 0.000 2.713 212 F HA 0.902 5.388 4.527 -0.069 0.000 0.311 212 F C -1.002 174.966 175.800 0.280 0.000 1.141 212 F CA -1.937 56.154 58.000 0.152 0.000 0.939 212 F CB 0.785 39.842 39.000 0.096 0.000 1.325 212 F HN 0.781 nan 8.300 nan 0.000 0.453 213 A N 1.104 124.143 122.820 0.365 0.000 2.322 213 A HA 0.343 4.622 4.320 -0.068 0.000 0.269 213 A C -0.500 177.285 177.584 0.334 0.000 1.094 213 A CA -0.646 51.545 52.037 0.257 0.000 0.807 213 A CB 0.244 19.367 19.000 0.206 0.000 1.047 213 A HN 0.912 nan 8.150 nan 0.000 0.487 214 N N 1.057 119.907 118.700 0.250 0.000 2.469 214 N HA 0.289 4.988 4.740 -0.068 0.000 0.239 214 N C -0.779 174.874 175.510 0.239 0.000 1.053 214 N CA 0.150 53.410 53.050 0.350 0.000 0.937 214 N CB 0.399 38.986 38.487 0.167 0.000 1.163 214 N HN 0.616 nan 8.380 nan 0.000 0.509 215 T N 0.790 115.489 114.554 0.242 0.000 2.909 215 T HA 0.196 4.505 4.350 -0.068 0.000 0.299 215 T C 1.158 175.937 174.700 0.132 0.000 1.073 215 T CA -0.544 61.652 62.100 0.161 0.000 0.999 215 T CB 1.456 70.397 68.868 0.122 0.000 1.098 215 T HN 0.485 nan 8.240 nan 0.000 0.477 216 T N 0.659 115.274 114.554 0.101 0.000 3.081 216 T HA 0.233 4.542 4.350 -0.068 0.000 0.255 216 T C 0.780 175.512 174.700 0.052 0.000 1.113 216 T CA 0.059 62.204 62.100 0.075 0.000 1.082 216 T CB -0.144 68.762 68.868 0.064 0.000 0.939 216 T HN 0.381 nan 8.240 nan 0.000 0.506 217 K N 2.526 122.952 120.400 0.043 0.000 2.294 217 K HA 0.236 4.515 4.320 -0.068 0.000 0.288 217 K C 1.374 177.968 176.600 -0.011 0.000 1.072 217 K CA -0.401 55.893 56.287 0.012 0.000 0.960 217 K CB 0.313 32.809 32.500 -0.008 0.000 1.043 217 K HN 0.217 nan 8.250 nan 0.000 0.455 218 R N 2.490 122.993 120.500 0.003 0.000 2.152 218 R HA -0.123 4.176 4.340 -0.068 0.000 0.232 218 R C 0.440 176.712 176.300 -0.047 0.000 1.117 218 R CA 1.916 58.016 56.100 -0.002 0.000 0.981 218 R CB 0.099 30.410 30.300 0.017 0.000 0.870 218 R HN 0.715 nan 8.270 nan 0.000 0.451 219 D N -0.448 119.916 120.400 -0.060 0.000 2.324 219 D HA -0.062 4.537 4.640 -0.068 0.000 0.235 219 D C 0.178 176.286 176.300 -0.320 0.000 1.095 219 D CA 0.319 54.234 54.000 -0.141 0.000 0.871 219 D CB 0.299 41.149 40.800 0.083 0.000 0.906 219 D HN 0.091 nan 8.370 nan 0.000 0.522 220 K N -0.156 120.027 120.400 -0.363 0.000 2.469 220 K HA 0.171 4.450 4.320 -0.068 0.000 0.204 220 K C 0.368 176.764 176.600 -0.341 0.000 1.047 220 K CA -0.220 55.621 56.287 -0.744 0.000 1.072 220 K CB 0.564 32.757 32.500 -0.512 0.000 0.863 220 K HN -0.044 nan 8.250 nan 0.000 0.530 221 N N 1.130 119.767 118.700 -0.104 0.000 2.236 221 N HA -0.022 4.677 4.740 -0.068 0.000 0.196 221 N C 0.202 175.846 175.510 0.224 0.000 1.114 221 N CA 0.030 53.127 53.050 0.078 0.000 0.859 221 N CB 0.536 39.061 38.487 0.063 0.000 0.982 221 N HN 0.161 nan 8.380 nan 0.000 0.493 222 S N -0.932 114.887 115.700 0.197 0.000 2.617 222 S HA 0.128 4.557 4.470 -0.068 0.000 0.269 222 S C 1.231 175.790 174.600 -0.069 0.000 1.292 222 S CA -0.655 57.648 58.200 0.171 0.000 1.010 222 S CB 0.619 63.869 63.200 0.083 0.000 0.944 222 S HN 0.130 nan 8.310 nan 0.000 0.536 223 F N 1.808 121.423 119.950 -0.560 0.000 2.184 223 F HA -0.185 4.301 4.527 -0.068 0.000 0.301 223 F C 1.407 176.870 175.800 -0.562 0.000 1.076 223 F CA 2.284 59.665 58.000 -1.031 0.000 1.295 223 F CB -0.776 37.739 39.000 -0.808 0.000 1.026 223 F HN 0.689 nan 8.300 nan 0.000 0.494 224 D N -0.597 119.602 120.400 -0.335 0.000 2.228 224 D HA -0.236 4.363 4.640 -0.068 0.000 0.203 224 D C 1.580 177.484 176.300 -0.659 0.000 0.988 224 D CA 1.489 55.201 54.000 -0.480 0.000 0.864 224 D CB -0.584 39.910 40.800 -0.511 0.000 0.928 224 D HN 0.366 nan 8.370 nan 0.000 0.469 225 F N 0.249 119.999 119.950 -0.333 0.000 2.692 225 F HA 0.167 4.653 4.527 -0.069 0.000 0.303 225 F C 1.346 176.963 175.800 -0.304 0.000 1.114 225 F CA -0.163 57.691 58.000 -0.243 0.000 1.361 225 F CB -0.355 38.573 39.000 -0.120 0.000 1.063 225 F HN -0.174 nan 8.300 nan 0.000 0.550 229 W N 1.775 123.324 121.300 0.415 0.000 2.126 229 W HA 0.656 5.275 4.660 -0.068 0.000 0.346 229 W C -0.466 176.104 176.519 0.085 0.000 1.279 229 W CA 0.124 57.588 57.345 0.199 0.000 1.259 229 W CB 0.930 30.326 29.460 -0.107 0.000 1.133 229 W HN 0.568 nan 8.180 nan 0.000 0.592 230 A N 3.321 125.794 122.820 -0.578 0.000 2.599 230 A HA 0.485 4.764 4.320 -0.068 0.000 0.290 230 A C -1.217 176.072 177.584 -0.493 0.000 1.101 230 A CA -0.866 50.951 52.037 -0.368 0.000 0.674 230 A CB 1.853 20.723 19.000 -0.217 0.000 1.277 230 A HN 0.600 nan 8.150 nan 0.000 0.419 231 K N -0.033 120.235 120.400 -0.220 0.000 2.179 231 K HA 0.389 4.668 4.320 -0.068 0.000 0.238 231 K C 1.342 177.866 176.600 -0.126 0.000 1.033 231 K CA 0.276 56.469 56.287 -0.156 0.000 0.926 231 K CB 0.830 33.312 32.500 -0.030 0.000 1.151 231 K HN 0.773 nan 8.250 nan 0.000 0.492 232 S N -0.110 115.547 115.700 -0.072 0.000 2.453 232 S HA -0.129 4.300 4.470 -0.068 0.000 0.231 232 S C 1.091 175.773 174.600 0.137 0.000 1.005 232 S CA 1.391 59.602 58.200 0.017 0.000 0.949 232 S CB -0.392 62.790 63.200 -0.030 0.000 0.774 232 S HN 0.723 nan 8.310 nan 0.000 0.510 233 D N 1.315 121.739 120.400 0.040 0.000 2.352 233 D HA 0.035 4.634 4.640 -0.068 0.000 0.232 233 D C 0.384 176.694 176.300 0.018 0.000 1.055 233 D CA 0.193 54.198 54.000 0.008 0.000 0.891 233 D CB -0.790 40.005 40.800 -0.008 0.000 0.897 233 D HN 0.320 nan 8.370 nan 0.000 0.529 234 N N -1.533 117.197 118.700 0.050 0.000 2.965 234 N HA -0.174 4.525 4.740 -0.068 0.000 0.232 234 N C -0.435 175.099 175.510 0.040 0.000 0.913 234 N CA 1.215 54.311 53.050 0.076 0.000 0.981 234 N CB -2.296 36.286 38.487 0.158 0.000 1.077 234 N HN 0.287 nan 8.380 nan 0.000 0.589 235 T N 2.532 117.096 114.554 0.017 0.000 2.905 235 T HA 0.125 4.434 4.350 -0.068 0.000 0.299 235 T C 0.718 175.434 174.700 0.027 0.000 1.024 235 T CA -0.004 62.110 62.100 0.023 0.000 1.151 235 T CB 0.382 69.266 68.868 0.028 0.000 0.987 235 T HN 0.032 nan 8.240 nan 0.000 0.535 236 L N 4.248 125.502 121.223 0.051 0.000 2.418 236 L HA 0.435 4.734 4.340 -0.068 0.000 0.265 236 L C 0.370 177.303 176.870 0.105 0.000 1.143 236 L CA 0.178 55.063 54.840 0.075 0.000 0.809 236 L CB 0.708 42.821 42.059 0.089 0.000 1.124 236 L HN 0.584 nan 8.230 nan 0.000 0.456 237 I N 2.970 123.628 120.570 0.146 0.000 2.428 237 I HA 0.230 4.359 4.170 -0.068 0.000 0.279 237 I C 0.663 176.939 176.117 0.265 0.000 1.040 237 I CA -0.213 61.203 61.300 0.193 0.000 1.171 237 I CB 0.779 38.882 38.000 0.171 0.000 1.312 237 I HN 0.630 nan 8.210 nan 0.000 0.470 238 K N 2.652 123.176 120.400 0.208 0.000 2.141 238 K HA 0.030 4.309 4.320 -0.068 0.000 0.202 238 K C 0.633 177.338 176.600 0.175 0.000 1.045 238 K CA 0.416 56.816 56.287 0.187 0.000 0.971 238 K CB 0.229 32.810 32.500 0.136 0.000 0.795 238 K HN 0.660 nan 8.250 nan 0.000 0.459 239 D N 0.857 121.360 120.400 0.172 0.000 2.313 239 D HA -0.066 4.533 4.640 -0.068 0.000 0.247 239 D C 1.033 177.443 176.300 0.183 0.000 1.094 239 D CA -0.115 53.982 54.000 0.162 0.000 0.925 239 D CB 1.506 42.401 40.800 0.158 0.000 1.188 239 D HN -0.023 nan 8.370 nan 0.000 0.430 240 L N 0.952 122.278 121.223 0.172 0.000 2.042 240 L HA -0.227 4.072 4.340 -0.068 0.000 0.210 240 L C 2.367 179.360 176.870 0.205 0.000 1.076 240 L CA 1.306 56.240 54.840 0.157 0.000 0.749 240 L CB -0.159 41.998 42.059 0.164 0.000 0.893 240 L HN 0.412 nan 8.230 nan 0.000 0.432 241 K N -0.350 120.171 120.400 0.200 0.000 2.057 241 K HA -0.174 4.105 4.320 -0.068 0.000 0.207 241 K C 1.624 178.325 176.600 0.169 0.000 1.049 241 K CA 1.435 57.820 56.287 0.164 0.000 0.931 241 K CB -0.399 32.157 32.500 0.092 0.000 0.714 241 K HN 0.456 nan 8.250 nan 0.000 0.440 242 D N 0.309 120.822 120.400 0.189 0.000 2.149 242 D HA -0.105 4.494 4.640 -0.068 0.000 0.201 242 D C 1.813 178.140 176.300 0.045 0.000 0.972 242 D CA 0.587 54.696 54.000 0.181 0.000 0.835 242 D CB -0.248 40.709 40.800 0.262 0.000 0.966 242 D HN 0.054 nan 8.370 nan 0.000 0.476 243 F N 2.160 122.073 119.950 -0.062 0.000 2.095 243 F HA -0.233 4.254 4.527 -0.068 0.000 0.298 243 F C 2.361 177.950 175.800 -0.352 0.000 1.104 243 F CA 1.498 59.374 58.000 -0.207 0.000 1.232 243 F CB -0.506 38.369 39.000 -0.208 0.000 0.987 243 F HN -0.147 nan 8.300 nan 0.000 0.475 244 T N 0.386 114.995 114.554 0.092 0.000 2.684 244 T HA -0.214 4.095 4.350 -0.068 0.000 0.267 244 T C 2.033 176.753 174.700 0.034 0.000 1.036 244 T CA 1.562 63.730 62.100 0.114 0.000 1.148 244 T CB -0.832 68.170 68.868 0.223 0.000 0.863 244 T HN 0.360 nan 8.240 nan 0.000 0.436 245 A N 0.963 123.794 122.820 0.019 0.000 2.206 245 A HA 0.091 4.370 4.320 -0.068 0.000 0.211 245 A C 2.229 179.775 177.584 -0.063 0.000 1.158 245 A CA 1.494 53.557 52.037 0.044 0.000 0.761 245 A CB -0.561 18.524 19.000 0.142 0.000 0.801 245 A HN 0.661 nan 8.150 nan 0.000 0.473 246 T N -4.866 109.547 114.554 -0.235 0.000 3.478 246 T HA -0.061 4.248 4.350 -0.068 0.000 0.223 246 T C 1.828 176.264 174.700 -0.441 0.000 0.958 246 T CA 0.772 62.710 62.100 -0.270 0.000 1.324 246 T CB -0.923 67.773 68.868 -0.286 0.000 1.262 246 T HN 0.260 nan 8.240 nan 0.000 0.379 247 C N 0.728 119.352 119.300 -1.127 0.000 2.411 247 C HA 0.140 4.559 4.460 -0.068 0.000 0.279 247 C C 2.099 176.665 174.990 -0.706 0.000 1.288 247 C CA 0.484 58.484 59.018 -1.698 0.000 1.764 247 C CB -1.930 24.034 27.740 -2.959 0.000 1.974 247 C HN 0.601 nan 8.230 nan 0.000 0.498 248 F N -0.135 119.517 119.950 -0.497 0.000 2.693 248 F HA 0.159 4.644 4.527 -0.069 0.000 0.303 248 F C 1.082 176.889 175.800 0.011 0.000 1.097 248 F CA -0.583 57.296 58.000 -0.202 0.000 1.330 248 F CB -0.108 38.805 39.000 -0.145 0.000 1.067 248 F HN 0.223 nan 8.300 nan 0.000 0.565 249 Q N 2.047 121.934 119.800 0.146 0.000 2.263 249 Q HA -0.105 4.194 4.340 -0.068 0.000 0.289 249 Q C 1.366 177.467 176.000 0.168 0.000 1.061 249 Q CA 0.329 56.234 55.803 0.170 0.000 0.927 249 Q CB 0.844 29.652 28.738 0.116 0.000 1.154 249 Q HN 0.405 nan 8.270 nan 0.000 0.378 250 K N 3.431 123.911 120.400 0.132 0.000 2.077 250 K HA -0.313 3.966 4.320 -0.068 0.000 0.213 250 K C 1.722 178.345 176.600 0.039 0.000 1.051 250 K CA 1.885 58.167 56.287 -0.009 0.000 0.929 250 K CB -0.159 32.225 32.500 -0.194 0.000 0.715 250 K HN 0.695 nan 8.250 nan 0.000 0.451 251 H N -0.221 118.846 119.070 -0.006 0.000 2.421 251 H HA -0.080 4.435 4.556 -0.069 0.000 0.298 251 H C 1.427 176.778 175.328 0.039 0.000 1.087 251 H CA 1.888 57.942 56.048 0.011 0.000 1.330 251 H CB 0.136 29.910 29.762 0.019 0.000 1.388 251 H HN 0.317 nan 8.280 nan 0.000 0.526 252 T N 2.006 116.569 114.554 0.016 0.000 2.698 252 T HA -0.079 4.230 4.350 -0.068 0.000 0.260 252 T C 2.309 176.950 174.700 -0.099 0.000 1.044 252 T CA 0.688 62.764 62.100 -0.039 0.000 1.149 252 T CB -0.452 68.392 68.868 -0.040 0.000 0.864 252 T HN 0.215 nan 8.240 nan 0.000 0.419 253 L N 0.869 122.050 121.223 -0.070 0.000 1.990 253 L HA -0.120 4.179 4.340 -0.068 0.000 0.213 253 L C 2.446 179.285 176.870 -0.052 0.000 1.072 253 L CA 1.731 56.541 54.840 -0.049 0.000 0.755 253 L CB -0.506 41.589 42.059 0.061 0.000 0.889 253 L HN 0.329 nan 8.230 nan 0.000 0.432 254 L N -0.670 120.516 121.223 -0.061 0.000 2.093 254 L HA -0.244 4.055 4.340 -0.068 0.000 0.208 254 L C 2.342 179.156 176.870 -0.093 0.000 1.085 254 L CA 1.163 55.955 54.840 -0.080 0.000 0.755 254 L CB -0.736 41.268 42.059 -0.091 0.000 0.904 254 L HN 0.434 nan 8.230 nan 0.000 0.435 255 N N -0.194 118.441 118.700 -0.109 0.000 2.188 255 N HA -0.137 4.562 4.740 -0.068 0.000 0.184 255 N C 1.859 177.397 175.510 0.048 0.000 1.018 255 N CA 1.137 54.139 53.050 -0.079 0.000 0.858 255 N CB 0.026 38.492 38.487 -0.035 0.000 0.989 255 N HN 0.126 nan 8.380 nan 0.000 0.426 256 V N 1.915 121.898 119.914 0.114 0.000 2.295 256 V HA -0.184 3.895 4.120 -0.068 0.000 0.246 256 V C 2.458 178.611 176.094 0.097 0.000 1.049 256 V CA 1.228 63.629 62.300 0.167 0.000 1.024 256 V CB -0.425 31.405 31.823 0.012 0.000 0.648 256 V HN 0.214 nan 8.190 nan 0.000 0.447 257 L N -0.743 120.497 121.223 0.028 0.000 2.027 257 L HA -0.127 4.172 4.340 -0.068 0.000 0.206 257 L C 2.336 179.229 176.870 0.039 0.000 1.074 257 L CA 1.247 56.108 54.840 0.035 0.000 0.745 257 L CB -0.481 41.563 42.059 -0.026 0.000 0.898 257 L HN 0.184 nan 8.230 nan 0.000 0.433 258 V N -0.816 119.067 119.914 -0.052 0.000 2.575 258 V HA -0.037 4.042 4.120 -0.068 0.000 0.242 258 V C 1.712 177.732 176.094 -0.123 0.000 1.045 258 V CA 1.219 63.458 62.300 -0.103 0.000 1.065 258 V CB -0.229 31.497 31.823 -0.162 0.000 0.717 258 V HN 0.419 nan 8.190 nan 0.000 0.467 259 N N -1.396 117.159 118.700 -0.243 0.000 2.407 259 N HA 0.097 4.796 4.740 -0.068 0.000 0.182 259 N C 0.670 175.844 175.510 -0.559 0.000 1.079 259 N CA 0.510 53.277 53.050 -0.472 0.000 0.882 259 N CB 0.437 38.481 38.487 -0.739 0.000 1.106 259 N HN 0.534 nan 8.380 nan 0.000 0.461 260 Y N 0.087 120.388 120.300 0.001 0.000 2.734 260 Y HA 0.397 4.905 4.550 -0.070 0.000 0.278 260 Y C 0.047 175.962 175.900 0.026 0.000 1.108 260 Y CA -0.417 57.686 58.100 0.005 0.000 1.211 260 Y CB 0.692 39.164 38.460 0.020 0.000 1.182 260 Y HN -0.240 nan 8.280 nan 0.000 0.547 261 S N 0.601 116.361 115.700 0.100 0.000 2.513 261 S HA 0.672 5.101 4.470 -0.068 0.000 0.299 261 S C -0.529 174.050 174.600 -0.035 0.000 1.087 261 S CA -0.676 57.559 58.200 0.058 0.000 1.012 261 S CB 2.106 65.357 63.200 0.084 0.000 1.044 261 S HN -0.048 nan 8.310 nan 0.000 0.485 262 V N 3.264 123.155 119.914 -0.039 0.000 2.628 262 V HA 0.596 4.675 4.120 -0.068 0.000 0.306 262 V C -1.205 174.885 176.094 -0.007 0.000 1.045 262 V CA -0.708 61.569 62.300 -0.039 0.000 0.905 262 V CB 1.500 33.317 31.823 -0.011 0.000 0.997 262 V HN 0.831 nan 8.190 nan 0.000 0.436 263 F N 5.315 125.158 119.950 -0.179 0.000 2.646 263 F HA 0.564 5.050 4.527 -0.069 0.000 0.364 263 F C -0.109 175.672 175.800 -0.032 0.000 1.137 263 F CA -1.283 56.631 58.000 -0.143 0.000 1.085 263 F CB 0.699 39.569 39.000 -0.217 0.000 1.331 263 F HN 0.718 nan 8.300 nan 0.000 0.472 264 D N 1.503 121.666 120.400 -0.396 0.000 2.496 264 D HA 0.224 4.823 4.640 -0.068 0.000 0.283 264 D C 1.003 177.079 176.300 -0.373 0.000 1.214 264 D CA 0.120 53.978 54.000 -0.237 0.000 1.089 264 D CB 0.185 40.925 40.800 -0.101 0.000 1.141 264 D HN 0.259 nan 8.370 nan 0.000 0.580 265 S N -1.556 114.031 115.700 -0.188 0.000 2.496 265 S HA -0.071 4.358 4.470 -0.068 0.000 0.224 265 S C 1.663 176.163 174.600 -0.165 0.000 0.996 265 S CA 0.548 58.647 58.200 -0.168 0.000 0.927 265 S CB -0.790 62.356 63.200 -0.090 0.000 0.774 265 S HN 0.541 nan 8.310 nan 0.000 0.524 266 S N 0.957 116.565 115.700 -0.153 0.000 2.603 266 S HA 0.114 4.543 4.470 -0.068 0.000 0.220 266 S C 0.519 175.019 174.600 -0.166 0.000 0.967 266 S CA -0.103 58.035 58.200 -0.103 0.000 0.920 266 S CB -0.684 62.490 63.200 -0.044 0.000 0.773 266 S HN 0.514 nan 8.310 nan 0.000 0.529 267 Q N 0.257 119.824 119.800 -0.387 0.000 2.481 267 Q HA -0.115 4.184 4.340 -0.068 0.000 0.283 267 Q C -1.064 174.842 176.000 -0.156 0.000 1.292 267 Q CA 0.876 56.332 55.803 -0.578 0.000 0.819 267 Q CB -2.680 25.950 28.738 -0.180 0.000 1.202 267 Q HN 0.591 nan 8.270 nan 0.000 0.446 268 T N 1.327 115.787 114.554 -0.156 0.000 2.758 268 T HA 0.497 4.806 4.350 -0.068 0.000 0.285 268 T C -0.126 174.652 174.700 0.129 0.000 0.981 268 T CA -0.666 61.450 62.100 0.027 0.000 0.965 268 T CB 1.162 70.016 68.868 -0.023 0.000 0.927 268 T HN 0.252 nan 8.240 nan 0.000 0.448 269 L N 5.267 126.637 121.223 0.245 0.000 2.361 269 L HA 0.484 4.783 4.340 -0.068 0.000 0.278 269 L C -1.285 175.647 176.870 0.103 0.000 1.113 269 L CA -0.013 54.947 54.840 0.200 0.000 0.849 269 L CB -0.061 42.089 42.059 0.153 0.000 1.155 269 L HN 0.507 nan 8.230 nan 0.000 0.452 270 L N 6.237 127.503 121.223 0.073 0.000 2.349 270 L HA 0.563 4.862 4.340 -0.068 0.000 0.278 270 L C -0.071 176.856 176.870 0.095 0.000 0.996 270 L CA -0.335 54.551 54.840 0.076 0.000 0.825 270 L CB 1.717 43.810 42.059 0.057 0.000 1.243 270 L HN 0.364 nan 8.230 nan 0.000 0.412 274 P HA -0.222 nan 4.420 nan 0.000 0.216 274 P C 0.903 177.895 177.300 -0.514 0.000 1.153 274 P CA 1.508 64.280 63.100 -0.546 0.000 0.858 274 P CB -0.077 31.265 31.700 -0.597 0.000 0.789 275 Y N -0.432 119.604 120.300 -0.440 0.000 2.293 275 Y HA -0.118 4.390 4.550 -0.070 0.000 0.291 275 Y C 2.079 177.811 175.900 -0.280 0.000 1.137 275 Y CA 0.818 58.670 58.100 -0.413 0.000 1.202 275 Y CB -1.908 36.186 38.460 -0.610 0.000 0.990 275 Y HN 0.014 nan 8.280 nan 0.000 0.537 276 Q N 0.753 120.149 119.800 -0.672 0.000 2.079 276 Q HA -0.055 4.244 4.340 -0.068 0.000 0.200 276 Q C 2.302 178.163 176.000 -0.233 0.000 0.974 276 Q CA 1.917 57.556 55.803 -0.274 0.000 0.840 276 Q CB -0.163 28.353 28.738 -0.370 0.000 0.898 276 Q HN 0.606 nan 8.270 nan 0.000 0.430 277 I N 0.649 120.980 120.570 -0.399 0.000 2.286 277 I HA -0.212 3.917 4.170 -0.068 0.000 0.245 277 I C 2.465 178.275 176.117 -0.513 0.000 1.104 277 I CA 0.734 61.697 61.300 -0.562 0.000 1.397 277 I CB -0.443 37.143 38.000 -0.691 0.000 1.072 277 I HN 0.137 nan 8.210 nan 0.000 0.417 278 A N 1.071 123.566 122.820 -0.542 0.000 1.892 278 A HA -0.247 4.032 4.320 -0.068 0.000 0.218 278 A C 2.545 179.789 177.584 -0.567 0.000 1.188 278 A CA 2.241 53.898 52.037 -0.634 0.000 0.631 278 A CB -0.913 17.569 19.000 -0.862 0.000 0.822 278 A HN 0.443 nan 8.150 nan 0.000 0.447 279 A N -1.304 121.243 122.820 -0.456 0.000 1.898 279 A HA -0.046 4.233 4.320 -0.068 0.000 0.216 279 A C 2.320 179.819 177.584 -0.141 0.000 1.181 279 A CA 2.253 54.147 52.037 -0.239 0.000 0.620 279 A CB -1.234 17.682 19.000 -0.140 0.000 0.819 279 A HN 0.449 nan 8.150 nan 0.000 0.442 280 T N 0.764 115.264 114.554 -0.090 0.000 2.674 280 T HA -0.169 4.140 4.350 -0.068 0.000 0.265 280 T C 1.828 176.537 174.700 0.015 0.000 1.039 280 T CA 1.726 63.834 62.100 0.013 0.000 1.150 280 T CB -0.420 68.504 68.868 0.092 0.000 0.864 280 T HN 0.879 nan 8.240 nan 0.000 0.427 281 E N 1.165 121.341 120.200 -0.039 0.000 2.204 281 E HA -0.124 4.185 4.350 -0.068 0.000 0.194 281 E C 2.245 178.928 176.600 0.137 0.000 0.989 281 E CA 0.863 57.326 56.400 0.106 0.000 0.824 281 E CB -0.193 29.563 29.700 0.094 0.000 0.756 281 E HN 0.336 nan 8.360 nan 0.000 0.477 282 R N 0.374 120.805 120.500 -0.115 0.000 2.119 282 R HA 0.130 4.429 4.340 -0.068 0.000 0.222 282 R C 2.342 178.752 176.300 0.183 0.000 1.088 282 R CA 0.838 56.911 56.100 -0.045 0.000 0.984 282 R CB -0.102 30.045 30.300 -0.255 0.000 0.884 282 R HN 0.220 nan 8.270 nan 0.000 0.447 283 I N 0.667 121.251 120.570 0.023 0.000 2.179 283 I HA -0.328 3.801 4.170 -0.068 0.000 0.242 283 I C 1.895 177.976 176.117 -0.061 0.000 1.088 283 I CA 1.451 62.651 61.300 -0.166 0.000 1.357 283 I CB -0.231 37.522 38.000 -0.411 0.000 1.051 283 I HN 0.162 nan 8.210 nan 0.000 0.409 284 L N -0.975 120.288 121.223 0.066 0.000 2.046 284 L HA -0.225 4.074 4.340 -0.068 0.000 0.208 284 L C 2.462 179.484 176.870 0.253 0.000 1.077 284 L CA 1.502 56.418 54.840 0.126 0.000 0.747 284 L CB -0.705 41.444 42.059 0.150 0.000 0.896 284 L HN 0.402 nan 8.230 nan 0.000 0.432 285 W N 1.491 122.922 121.300 0.217 0.000 2.388 285 W HA -0.220 4.402 4.660 -0.063 0.000 0.294 285 W C 2.639 179.302 176.519 0.240 0.000 1.212 285 W CA 1.577 59.074 57.345 0.254 0.000 1.271 285 W CB 0.123 29.827 29.460 0.407 0.000 1.126 285 W HN -0.081 nan 8.180 nan 0.000 0.535 286 K N 0.585 121.233 120.400 0.414 0.000 2.026 286 K HA -0.158 4.121 4.320 -0.068 0.000 0.208 286 K C 1.852 178.570 176.600 0.197 0.000 1.048 286 K CA 2.214 58.689 56.287 0.312 0.000 0.929 286 K CB -0.820 32.017 32.500 0.561 0.000 0.713 286 K HN 0.271 nan 8.250 nan 0.000 0.439 287 I N 0.848 121.563 120.570 0.242 0.000 2.151 287 I HA -0.348 3.781 4.170 -0.068 0.000 0.243 287 I C 2.537 178.630 176.117 -0.041 0.000 1.080 287 I CA 1.570 62.904 61.300 0.056 0.000 1.339 287 I CB -0.309 37.717 38.000 0.043 0.000 1.039 287 I HN 0.250 nan 8.210 nan 0.000 0.409 288 K N 0.882 121.298 120.400 0.027 0.000 2.002 288 K HA -0.214 4.065 4.320 -0.068 0.000 0.209 288 K C 2.367 178.861 176.600 -0.176 0.000 1.048 288 K CA 2.149 58.438 56.287 0.004 0.000 0.930 288 K CB -0.118 32.392 32.500 0.016 0.000 0.714 288 K HN 0.411 nan 8.250 nan 0.000 0.438 289 S N 0.083 115.534 115.700 -0.415 0.000 2.382 289 S HA -0.107 4.322 4.470 -0.068 0.000 0.228 289 S C 2.084 176.564 174.600 -0.201 0.000 1.027 289 S CA 1.565 59.503 58.200 -0.438 0.000 0.991 289 S CB -0.302 62.390 63.200 -0.847 0.000 0.823 289 S HN 0.244 nan 8.310 nan 0.000 0.469 290 S N 1.759 117.415 115.700 -0.073 0.000 2.353 290 S HA -0.046 4.383 4.470 -0.068 0.000 0.222 290 S C 1.401 176.076 174.600 0.126 0.000 1.035 290 S CA 1.418 59.672 58.200 0.090 0.000 1.025 290 S CB -0.817 62.590 63.200 0.345 0.000 0.902 290 S HN 0.613 nan 8.310 nan 0.000 0.440 291 F N 2.692 122.663 119.950 0.036 0.000 2.120 291 F HA -0.220 4.261 4.527 -0.076 0.000 0.300 291 F C 2.361 178.098 175.800 -0.104 0.000 1.095 291 F CA 1.829 59.861 58.000 0.053 0.000 1.249 291 F CB -1.009 37.781 39.000 -0.349 0.000 0.995 291 F HN 0.125 nan 8.300 nan 0.000 0.480 292 T N 0.277 114.690 114.554 -0.235 0.000 2.746 292 T HA -0.097 4.212 4.350 -0.068 0.000 0.267 292 T C 1.924 176.437 174.700 -0.313 0.000 1.039 292 T CA 1.322 63.240 62.100 -0.302 0.000 1.142 292 T CB -0.676 68.096 68.868 -0.160 0.000 0.866 292 T HN 0.356 nan 8.240 nan 0.000 0.444 293 A N 0.684 123.346 122.820 -0.264 0.000 2.278 293 A HA 0.255 4.534 4.320 -0.068 0.000 0.212 293 A C 0.740 178.083 177.584 -0.401 0.000 1.213 293 A CA -0.035 51.844 52.037 -0.263 0.000 0.840 293 A CB -0.479 18.409 19.000 -0.186 0.000 0.866 293 A HN 0.531 nan 8.150 nan 0.000 0.489 294 K N -0.610 119.455 120.400 -0.560 0.000 3.278 294 K HA -0.198 4.081 4.320 -0.068 0.000 0.270 294 K C -0.289 175.574 176.600 -1.229 0.000 0.955 294 K CA 0.870 56.474 56.287 -1.137 0.000 0.723 294 K CB -1.734 30.204 32.500 -0.936 0.000 1.382 294 K HN 0.495 nan 8.250 nan 0.000 0.461 295 N N 0.967 119.247 118.700 -0.700 0.000 2.806 295 N HA 0.187 4.886 4.740 -0.068 0.000 0.315 295 N C -0.749 174.601 175.510 -0.267 0.000 1.738 295 N CA -0.885 51.887 53.050 -0.463 0.000 0.993 295 N CB 0.405 38.766 38.487 -0.209 0.000 1.324 295 N HN 0.344 nan 8.380 nan 0.000 0.493 296 W N 0.065 121.315 121.300 -0.084 0.000 2.141 296 W HA 0.467 5.050 4.660 -0.129 0.000 0.354 296 W C 0.694 176.953 176.519 -0.434 0.000 1.297 296 W CA -1.026 56.127 57.345 -0.321 0.000 1.380 296 W CB -0.234 28.992 29.460 -0.389 0.000 1.168 296 W HN 0.125 nan 8.180 nan 0.000 0.639 297 S N -0.569 114.810 115.700 -0.536 0.000 3.635 297 S HA -0.229 4.200 4.470 -0.068 0.000 0.328 297 S C -0.397 173.939 174.600 -0.440 0.000 1.135 297 S CA 1.075 58.622 58.200 -1.088 0.000 0.942 297 S CB -2.446 60.391 63.200 -0.605 0.000 0.930 297 S HN 0.634 nan 8.310 nan 0.000 0.512 298 K N -0.695 119.565 120.400 -0.233 0.000 2.433 298 K HA 0.542 4.821 4.320 -0.068 0.000 0.252 298 K C -2.526 174.082 176.600 0.013 0.000 1.015 298 K CA -2.701 53.549 56.287 -0.062 0.000 0.860 298 K CB 0.941 33.411 32.500 -0.050 0.000 1.359 298 K HN -0.233 nan 8.250 nan 0.000 0.452 299 P HA -0.246 nan 4.420 nan 0.000 0.218 299 P C 0.747 178.106 177.300 0.098 0.000 1.148 299 P CA 1.293 64.438 63.100 0.074 0.000 0.822 299 P CB 0.173 31.910 31.700 0.060 0.000 0.784 300 E N -0.136 120.107 120.200 0.072 0.000 2.482 300 E HA -0.047 4.262 4.350 -0.068 0.000 0.196 300 E C 1.154 177.815 176.600 0.102 0.000 1.047 300 E CA 0.953 57.406 56.400 0.089 0.000 0.869 300 E CB -0.738 29.001 29.700 0.065 0.000 0.836 300 E HN 0.277 nan 8.360 nan 0.000 0.520 301 S N 0.282 116.036 115.700 0.090 0.000 2.489 301 S HA 0.156 4.585 4.470 -0.068 0.000 0.228 301 S C 1.280 175.999 174.600 0.198 0.000 0.995 301 S CA 0.312 58.619 58.200 0.177 0.000 0.934 301 S CB 0.274 63.556 63.200 0.137 0.000 0.771 301 S HN 0.433 nan 8.310 nan 0.000 0.522 302 G N 0.277 109.085 108.800 0.013 0.000 3.341 302 G HA2 0.725 4.644 3.960 -0.068 0.000 0.177 302 G HA3 0.725 4.644 3.960 -0.068 0.000 0.177 302 G C -0.116 174.711 174.900 -0.122 0.000 1.236 302 G CA -0.337 44.478 45.100 -0.475 0.000 0.888 302 G HN 0.881 nan 8.290 nan 0.000 0.644 303 G N -2.287 106.497 108.800 -0.027 0.000 2.321 303 G HA2 0.569 4.488 3.960 -0.068 0.000 0.298 303 G HA3 0.569 4.488 3.960 -0.068 0.000 0.298 303 G C -1.593 173.485 174.900 0.296 0.000 1.385 303 G CA -0.048 45.219 45.100 0.279 0.000 0.856 303 G HN 1.478 nan 8.290 nan 0.000 0.584 304 Y N -0.993 119.335 120.300 0.046 0.000 2.602 304 Y HA 0.886 5.390 4.550 -0.075 0.000 0.342 304 Y C -0.745 175.054 175.900 -0.169 0.000 1.029 304 Y CA -2.115 55.867 58.100 -0.196 0.000 1.080 304 Y CB 1.679 39.960 38.460 -0.298 0.000 1.284 304 Y HN 0.476 nan 8.280 nan 0.000 0.485 305 I N 2.285 122.678 120.570 -0.295 0.000 2.418 305 I HA 0.079 4.208 4.170 -0.068 0.000 0.287 305 I C -1.422 174.663 176.117 -0.054 0.000 1.008 305 I CA -0.883 60.163 61.300 -0.423 0.000 1.104 305 I CB 1.365 38.691 38.000 -1.124 0.000 1.264 305 I HN 0.867 nan 8.210 nan 0.000 0.438 306 W N 8.192 129.453 121.300 -0.066 0.000 2.228 306 W HA 0.345 4.964 4.660 -0.067 0.000 0.364 306 W C -0.614 176.081 176.519 0.294 0.000 0.917 306 W CA -0.797 56.627 57.345 0.131 0.000 1.513 306 W CB -0.245 29.321 29.460 0.177 0.000 1.494 306 W HN 0.485 nan 8.180 nan 0.000 0.346 307 H N 3.115 122.442 119.070 0.429 0.000 2.504 307 H HA 0.121 4.637 4.556 -0.065 0.000 0.322 307 H C 0.608 176.123 175.328 0.312 0.000 1.055 307 H CA -0.719 55.524 56.048 0.325 0.000 1.231 307 H CB 1.662 31.671 29.762 0.411 0.000 1.417 307 H HN -0.006 nan 8.280 nan 0.000 0.472 308 T N 2.217 116.910 114.554 0.232 0.000 2.939 308 T HA -0.109 4.200 4.350 -0.068 0.000 0.319 308 T C 0.783 175.596 174.700 0.188 0.000 1.082 308 T CA 0.068 62.264 62.100 0.160 0.000 1.133 308 T CB 0.345 69.184 68.868 -0.048 0.000 1.019 308 T HN 0.727 nan 8.240 nan 0.000 0.548 309 T N 2.300 116.950 114.554 0.159 0.000 2.871 309 T HA 0.379 4.688 4.350 -0.068 0.000 0.296 309 T C 1.368 176.160 174.700 0.152 0.000 0.998 309 T CA 0.729 62.924 62.100 0.159 0.000 1.162 309 T CB -0.469 68.478 68.868 0.132 0.000 0.947 309 T HN 1.402 nan 8.240 nan 0.000 0.536 310 G N 3.088 111.990 108.800 0.171 0.000 2.175 310 G HA2 -0.320 3.599 3.960 -0.068 0.000 0.244 310 G HA3 -0.320 3.599 3.960 -0.068 0.000 0.244 310 G C 0.969 175.972 174.900 0.171 0.000 0.982 310 G CA 0.763 45.956 45.100 0.154 0.000 0.641 310 G HN 1.723 nan 8.290 nan 0.000 0.527 311 S N -0.378 115.452 115.700 0.218 0.000 2.593 311 S HA 0.457 4.886 4.470 -0.068 0.000 0.217 311 S C 1.813 176.622 174.600 0.350 0.000 0.966 311 S CA 1.184 59.550 58.200 0.276 0.000 0.914 311 S CB 0.476 63.826 63.200 0.250 0.000 0.776 311 S HN 2.324 nan 8.310 nan 0.000 0.523 312 G N 1.304 110.278 108.800 0.291 0.000 2.151 312 G HA2 -0.180 3.739 3.960 -0.068 0.000 0.156 312 G HA3 -0.180 3.739 3.960 -0.068 0.000 0.156 312 G C 0.519 175.581 174.900 0.271 0.000 1.017 312 G CA 0.057 45.308 45.100 0.251 0.000 0.686 312 G HN 0.423 nan 8.290 nan 0.000 0.503 313 K N -0.362 120.225 120.400 0.312 0.000 2.074 313 K HA -0.110 4.169 4.320 -0.068 0.000 0.209 313 K C 2.540 179.177 176.600 0.062 0.000 1.048 313 K CA 2.042 58.492 56.287 0.271 0.000 0.926 313 K CB -0.212 32.488 32.500 0.334 0.000 0.713 313 K HN 0.373 nan 8.250 nan 0.000 0.444 314 T N 2.077 116.717 114.554 0.144 0.000 2.857 314 T HA -0.062 4.247 4.350 -0.068 0.000 0.266 314 T C 1.623 176.418 174.700 0.159 0.000 1.048 314 T CA 0.542 62.752 62.100 0.183 0.000 1.139 314 T CB -0.085 68.914 68.868 0.218 0.000 0.874 314 T HN 0.127 nan 8.240 nan 0.000 0.455 315 L N 1.151 122.451 121.223 0.128 0.000 2.012 315 L HA -0.150 4.149 4.340 -0.068 0.000 0.210 315 L C 2.303 179.189 176.870 0.027 0.000 1.073 315 L CA 1.971 56.870 54.840 0.099 0.000 0.748 315 L CB -1.173 40.943 42.059 0.094 0.000 0.891 315 L HN 0.282 nan 8.230 nan 0.000 0.431 316 T N -0.543 114.014 114.554 0.004 0.000 2.851 316 T HA -0.089 4.220 4.350 -0.068 0.000 0.262 316 T C 2.036 176.616 174.700 -0.200 0.000 1.043 316 T CA 1.451 63.541 62.100 -0.017 0.000 1.140 316 T CB -0.051 68.913 68.868 0.160 0.000 0.872 316 T HN 0.631 nan 8.240 nan 0.000 0.446 317 S N 1.138 116.541 115.700 -0.495 0.000 2.387 317 S HA 0.003 4.432 4.470 -0.068 0.000 0.226 317 S C 1.875 176.231 174.600 -0.407 0.000 1.026 317 S CA 0.388 58.140 58.200 -0.746 0.000 0.972 317 S CB -0.974 61.596 63.200 -1.050 0.000 0.814 317 S HN 0.565 nan 8.310 nan 0.000 0.477 318 F N 2.502 122.017 119.950 -0.726 0.000 2.134 318 F HA -0.073 4.411 4.527 -0.071 0.000 0.299 318 F C 2.528 177.949 175.800 -0.631 0.000 1.097 318 F CA 1.451 58.739 58.000 -1.187 0.000 1.264 318 F CB -0.110 38.400 39.000 -0.816 0.000 1.001 318 F HN 0.176 nan 8.300 nan 0.000 0.479 319 K N 1.456 121.599 120.400 -0.428 0.000 2.044 319 K HA -0.185 4.094 4.320 -0.068 0.000 0.210 319 K C 1.947 178.371 176.600 -0.294 0.000 1.049 319 K CA 1.800 57.858 56.287 -0.380 0.000 0.927 319 K CB -0.965 31.439 32.500 -0.159 0.000 0.713 319 K HN 0.304 nan 8.250 nan 0.000 0.443 320 A N 0.296 123.001 122.820 -0.191 0.000 1.930 320 A HA 0.008 4.287 4.320 -0.068 0.000 0.217 320 A C 2.364 179.858 177.584 -0.149 0.000 1.175 320 A CA 1.994 53.971 52.037 -0.099 0.000 0.627 320 A CB -0.984 18.020 19.000 0.007 0.000 0.815 320 A HN 0.420 nan 8.150 nan 0.000 0.443 321 A N 0.016 122.711 122.820 -0.208 0.000 1.883 321 A HA -0.199 4.080 4.320 -0.068 0.000 0.217 321 A C 2.252 179.692 177.584 -0.240 0.000 1.186 321 A CA 1.647 53.582 52.037 -0.171 0.000 0.624 321 A CB -0.505 18.398 19.000 -0.161 0.000 0.822 321 A HN 0.549 nan 8.150 nan 0.000 0.444 322 R N -0.762 119.495 120.500 -0.404 0.000 2.081 322 R HA -0.039 4.260 4.340 -0.068 0.000 0.235 322 R C 2.090 178.252 176.300 -0.230 0.000 1.131 322 R CA 1.419 57.296 56.100 -0.372 0.000 0.960 322 R CB -0.487 29.489 30.300 -0.539 0.000 0.856 322 R HN 0.513 nan 8.270 nan 0.000 0.436 323 L N 0.014 121.113 121.223 -0.208 0.000 2.056 323 L HA -0.122 4.177 4.340 -0.068 0.000 0.207 323 L C 2.650 179.441 176.870 -0.131 0.000 1.078 323 L CA 1.032 55.781 54.840 -0.151 0.000 0.749 323 L CB -0.532 41.455 42.059 -0.119 0.000 0.901 323 L HN 0.244 nan 8.230 nan 0.000 0.433 324 A N 0.204 122.947 122.820 -0.129 0.000 1.986 324 A HA -0.261 4.018 4.320 -0.068 0.000 0.220 324 A C 2.348 179.831 177.584 -0.168 0.000 1.171 324 A CA 2.324 54.282 52.037 -0.131 0.000 0.640 324 A CB -1.074 17.869 19.000 -0.095 0.000 0.811 324 A HN 0.554 nan 8.150 nan 0.000 0.451 325 T N -2.020 112.443 114.554 -0.152 0.000 3.025 325 T HA -0.094 4.215 4.350 -0.068 0.000 0.270 325 T C 1.260 175.867 174.700 -0.155 0.000 1.126 325 T CA 1.455 63.466 62.100 -0.148 0.000 1.105 325 T CB -0.384 68.418 68.868 -0.110 0.000 0.884 325 T HN 0.681 nan 8.240 nan 0.000 0.522 326 E N 0.672 120.782 120.200 -0.151 0.000 2.435 326 E HA 0.182 4.491 4.350 -0.068 0.000 0.195 326 E C 0.087 176.575 176.600 -0.186 0.000 1.029 326 E CA -0.098 56.222 56.400 -0.133 0.000 0.865 326 E CB -0.113 29.528 29.700 -0.098 0.000 0.833 326 E HN 0.565 nan 8.360 nan 0.000 0.510 327 L N 3.343 124.386 121.223 -0.299 0.000 2.485 327 L HA -0.023 4.276 4.340 -0.068 0.000 0.279 327 L C 1.158 177.652 176.870 -0.626 0.000 1.124 327 L CA -0.647 53.871 54.840 -0.536 0.000 0.888 327 L CB 0.248 41.799 42.059 -0.847 0.000 1.217 327 L HN 0.097 nan 8.230 nan 0.000 0.464 328 D N 3.214 123.385 120.400 -0.381 0.000 2.182 328 D HA -0.298 4.301 4.640 -0.068 0.000 0.201 328 D C 1.635 177.796 176.300 -0.231 0.000 0.986 328 D CA 1.476 55.348 54.000 -0.212 0.000 0.847 328 D CB -0.341 40.426 40.800 -0.054 0.000 0.942 328 D HN 0.597 nan 8.370 nan 0.000 0.467 329 F N -0.042 119.766 119.950 -0.237 0.000 2.456 329 F HA 0.220 4.703 4.527 -0.074 0.000 0.298 329 F C 0.873 176.508 175.800 -0.275 0.000 1.104 329 F CA -0.603 57.184 58.000 -0.355 0.000 1.435 329 F CB -0.401 38.067 39.000 -0.886 0.000 1.078 329 F HN -0.259 nan 8.300 nan 0.000 0.546 330 I N 2.622 122.800 120.570 -0.653 0.000 2.634 330 I HA -0.008 4.121 4.170 -0.068 0.000 0.284 330 I C 0.821 176.853 176.117 -0.142 0.000 1.124 330 I CA -0.403 60.734 61.300 -0.272 0.000 1.417 330 I CB 0.472 38.275 38.000 -0.328 0.000 1.396 330 I HN 0.243 nan 8.210 nan 0.000 0.571 331 D N 3.820 124.198 120.400 -0.036 0.000 2.338 331 D HA 0.068 4.667 4.640 -0.068 0.000 0.224 331 D C 0.391 176.651 176.300 -0.067 0.000 0.967 331 D CA 0.898 54.879 54.000 -0.032 0.000 0.896 331 D CB 0.737 41.549 40.800 0.019 0.000 1.028 331 D HN 0.328 nan 8.370 nan 0.000 0.493 332 K N 0.034 120.388 120.400 -0.077 0.000 2.523 332 K HA 0.432 4.711 4.320 -0.068 0.000 0.257 332 K C -1.620 174.840 176.600 -0.232 0.000 0.932 332 K CA -0.439 55.733 56.287 -0.191 0.000 0.812 332 K CB 3.311 35.669 32.500 -0.237 0.000 1.326 332 K HN -0.321 nan 8.250 nan 0.000 0.433 333 V N 4.475 124.213 119.914 -0.294 0.000 2.376 333 V HA 0.446 4.525 4.120 -0.068 0.000 0.287 333 V C -1.022 174.916 176.094 -0.260 0.000 1.015 333 V CA -0.705 61.475 62.300 -0.200 0.000 0.834 333 V CB 0.697 32.454 31.823 -0.109 0.000 1.001 333 V HN 0.601 nan 8.190 nan 0.000 0.428 334 F N 5.147 124.985 119.950 -0.187 0.000 2.421 334 F HA 0.419 4.905 4.527 -0.069 0.000 0.358 334 F C 0.010 175.815 175.800 0.008 0.000 1.115 334 F CA -0.227 57.710 58.000 -0.105 0.000 1.160 334 F CB 0.810 39.708 39.000 -0.170 0.000 1.123 334 F HN 0.445 nan 8.300 nan 0.000 0.508 335 F N 5.894 125.864 119.950 0.034 0.000 2.391 335 F HA 0.549 5.034 4.527 -0.071 0.000 0.359 335 F C -0.748 175.008 175.800 -0.075 0.000 1.122 335 F CA -1.301 56.677 58.000 -0.036 0.000 1.120 335 F CB 0.852 39.816 39.000 -0.060 0.000 1.142 335 F HN 0.139 nan 8.300 nan 0.000 0.483 336 V N 8.649 128.203 119.914 -0.599 0.000 2.483 336 V HA 0.831 4.910 4.120 -0.068 0.000 0.297 336 V C -1.483 174.325 176.094 -0.477 0.000 1.027 336 V CA -0.295 61.741 62.300 -0.441 0.000 0.855 336 V CB 1.399 33.148 31.823 -0.124 0.000 0.995 336 V HN 0.783 nan 8.190 nan 0.000 0.424 337 V N 2.640 122.296 119.914 -0.431 0.000 3.113 337 V HA 0.730 4.809 4.120 -0.068 0.000 0.316 337 V C -0.552 175.481 176.094 -0.102 0.000 1.125 337 V CA -0.668 61.453 62.300 -0.299 0.000 1.026 337 V CB 2.006 33.625 31.823 -0.341 0.000 1.080 337 V HN 0.894 nan 8.190 nan 0.000 0.444 338 D N 1.046 121.428 120.400 -0.030 0.000 2.198 338 D HA 0.274 4.873 4.640 -0.068 0.000 0.245 338 D C 1.385 177.695 176.300 0.016 0.000 1.079 338 D CA -0.436 53.571 54.000 0.012 0.000 0.854 338 D CB 1.975 42.796 40.800 0.035 0.000 1.148 338 D HN 0.806 nan 8.370 nan 0.000 0.456 339 R N 3.858 124.359 120.500 0.001 0.000 2.127 339 R HA -0.148 4.151 4.340 -0.068 0.000 0.238 339 R C 1.176 177.497 176.300 0.036 0.000 1.134 339 R CA 0.899 56.977 56.100 -0.035 0.000 0.975 339 R CB -0.173 30.063 30.300 -0.106 0.000 0.865 339 R HN 0.340 nan 8.270 nan 0.000 0.447 340 K N 0.291 120.746 120.400 0.090 0.000 2.281 340 K HA -0.124 4.155 4.320 -0.068 0.000 0.203 340 K C 0.492 177.173 176.600 0.134 0.000 1.046 340 K CA 1.563 57.922 56.287 0.120 0.000 0.938 340 K CB 0.044 32.602 32.500 0.096 0.000 0.737 340 K HN 0.275 nan 8.250 nan 0.000 0.458 341 D N 0.054 120.536 120.400 0.138 0.000 2.349 341 D HA 0.085 4.684 4.640 -0.068 0.000 0.214 341 D C 0.188 176.633 176.300 0.242 0.000 1.063 341 D CA 0.120 54.230 54.000 0.183 0.000 0.847 341 D CB 0.279 41.167 40.800 0.148 0.000 0.933 341 D HN 0.077 nan 8.370 nan 0.000 0.513 342 L N 1.591 122.958 121.223 0.240 0.000 2.417 342 L HA 0.185 4.484 4.340 -0.068 0.000 0.268 342 L C 0.581 177.709 176.870 0.431 0.000 1.158 342 L CA -0.032 54.979 54.840 0.285 0.000 0.819 342 L CB 0.642 42.817 42.059 0.194 0.000 1.112 342 L HN -0.013 nan 8.230 nan 0.000 0.458 343 D N -0.037 120.585 120.400 0.371 0.000 2.895 343 D HA 0.043 4.642 4.640 -0.068 0.000 0.320 343 D C 0.349 176.816 176.300 0.280 0.000 1.249 343 D CA -0.549 53.710 54.000 0.432 0.000 0.997 343 D CB 0.300 41.455 40.800 0.592 0.000 1.430 343 D HN 0.363 nan 8.370 nan 0.000 0.558 344 Y N -0.022 120.369 120.300 0.152 0.000 2.109 344 Y HA -0.135 4.374 4.550 -0.068 0.000 0.285 344 Y C 2.443 178.353 175.900 0.017 0.000 1.131 344 Y CA 2.333 60.475 58.100 0.069 0.000 1.121 344 Y CB -0.223 38.261 38.460 0.039 0.000 0.987 344 Y HN 0.323 nan 8.280 nan 0.000 0.495 345 Q N 0.862 120.747 119.800 0.142 0.000 2.217 345 Q HA -0.115 4.184 4.340 -0.068 0.000 0.209 345 Q C 0.968 176.850 176.000 -0.198 0.000 0.988 345 Q CA 1.771 57.560 55.803 -0.022 0.000 0.878 345 Q CB -0.824 27.946 28.738 0.054 0.000 0.909 345 Q HN 0.417 nan 8.270 nan 0.000 0.424 349 E N 0.471 120.502 120.200 -0.281 0.000 2.076 349 E HA 0.027 4.336 4.350 -0.068 0.000 0.190 349 E C 1.376 178.045 176.600 0.116 0.000 0.979 349 E CA 1.569 57.891 56.400 -0.131 0.000 0.807 349 E CB -0.103 29.424 29.700 -0.287 0.000 0.761 349 E HN 0.446 nan 8.360 nan 0.000 0.454 350 Y N -0.340 120.004 120.300 0.074 0.000 2.373 350 Y HA -0.120 4.391 4.550 -0.065 0.000 0.293 350 Y C 2.281 178.281 175.900 0.166 0.000 1.129 350 Y CA 0.468 58.643 58.100 0.124 0.000 1.226 350 Y CB -0.005 38.447 38.460 -0.013 0.000 1.000 350 Y HN 0.126 nan 8.280 nan 0.000 0.549 351 Q N 1.595 121.505 119.800 0.184 0.000 2.181 351 Q HA -0.192 4.107 4.340 -0.068 0.000 0.205 351 Q C 1.789 177.829 176.000 0.066 0.000 0.980 351 Q CA 1.621 57.482 55.803 0.096 0.000 0.862 351 Q CB -0.139 28.606 28.738 0.012 0.000 0.905 351 Q HN 0.383 nan 8.270 nan 0.000 0.429 352 R N -1.380 119.139 120.500 0.032 0.000 2.148 352 R HA -0.050 4.249 4.340 -0.068 0.000 0.223 352 R C 1.449 177.579 176.300 -0.284 0.000 1.088 352 R CA 1.294 57.279 56.100 -0.191 0.000 0.985 352 R CB -0.077 29.987 30.300 -0.394 0.000 0.880 352 R HN 0.317 nan 8.270 nan 0.000 0.451 353 F N -0.419 119.608 119.950 0.128 0.000 2.514 353 F HA 0.185 4.672 4.527 -0.066 0.000 0.281 353 F C 0.766 176.619 175.800 0.089 0.000 1.060 353 F CA 0.007 58.083 58.000 0.126 0.000 1.397 353 F CB 0.460 39.584 39.000 0.208 0.000 1.129 353 F HN -0.312 nan 8.300 nan 0.000 0.620 354 S N 1.638 117.513 115.700 0.292 0.000 2.130 354 S HA 0.352 4.781 4.470 -0.068 0.000 0.165 354 S C -2.737 171.936 174.600 0.122 0.000 1.677 354 S CA -1.210 57.089 58.200 0.166 0.000 1.227 354 S CB 0.339 63.622 63.200 0.139 0.000 1.115 354 S HN -0.214 nan 8.310 nan 0.000 0.452 355 P HA 0.125 nan 4.420 nan 0.000 0.264 355 P C -0.226 177.107 177.300 0.055 0.000 1.183 355 P CA 0.435 63.572 63.100 0.061 0.000 0.763 355 P CB -0.085 31.638 31.700 0.038 0.000 0.807 356 D N 0.671 121.100 120.400 0.049 0.000 2.733 356 D HA -0.184 4.415 4.640 -0.068 0.000 0.232 356 D C 0.038 176.360 176.300 0.037 0.000 1.161 356 D CA 1.235 55.258 54.000 0.039 0.000 0.653 356 D CB -2.149 38.672 40.800 0.035 0.000 1.052 356 D HN 0.227 nan 8.370 nan 0.000 0.424 357 S N -1.324 114.403 115.700 0.046 0.000 2.666 357 S HA 0.250 4.679 4.470 -0.068 0.000 0.239 357 S C 0.266 174.880 174.600 0.022 0.000 1.031 357 S CA -0.415 57.808 58.200 0.038 0.000 1.015 357 S CB 1.496 64.728 63.200 0.053 0.000 0.981 357 S HN 0.214 nan 8.310 nan 0.000 0.547 358 V N 4.958 124.888 119.914 0.027 0.000 2.325 358 V HA 0.533 4.612 4.120 -0.068 0.000 0.280 358 V C -0.309 175.776 176.094 -0.016 0.000 1.016 358 V CA -0.684 61.623 62.300 0.011 0.000 0.818 358 V CB 0.451 32.315 31.823 0.068 0.000 1.019 358 V HN 0.559 nan 8.190 nan 0.000 0.434 359 N N 2.455 121.094 118.700 -0.102 0.000 3.378 359 N HA 0.280 4.979 4.740 -0.068 0.000 0.294 359 N C 0.573 175.847 175.510 -0.394 0.000 1.544 359 N CA -0.298 52.618 53.050 -0.223 0.000 0.872 359 N CB 1.845 40.237 38.487 -0.157 0.000 1.670 359 N HN 0.346 nan 8.380 nan 0.000 0.551 360 G N -0.158 108.196 108.800 -0.742 0.000 3.233 360 G HA2 0.113 4.032 3.960 -0.068 0.000 0.227 360 G HA3 0.113 4.032 3.960 -0.068 0.000 0.227 360 G C 0.371 175.070 174.900 -0.334 0.000 1.175 360 G CA 0.299 44.793 45.100 -1.010 0.000 0.781 360 G HN 0.700 nan 8.290 nan 0.000 0.542 361 S N -0.701 114.888 115.700 -0.185 0.000 2.672 361 S HA 0.329 4.758 4.470 -0.068 0.000 0.276 361 S C 0.861 175.449 174.600 -0.019 0.000 1.207 361 S CA -0.473 57.702 58.200 -0.042 0.000 1.002 361 S CB 1.686 64.876 63.200 -0.018 0.000 0.998 361 S HN 0.051 nan 8.310 nan 0.000 0.542 362 E N 0.928 121.136 120.200 0.013 0.000 2.482 362 E HA 0.068 4.377 4.350 -0.068 0.000 0.196 362 E C -0.242 176.369 176.600 0.017 0.000 1.047 362 E CA 0.124 56.535 56.400 0.018 0.000 0.869 362 E CB -0.457 29.259 29.700 0.027 0.000 0.836 362 E HN 0.519 nan 8.360 nan 0.000 0.520 363 N N 1.311 120.019 118.700 0.014 0.000 2.492 363 N HA -0.019 4.680 4.740 -0.068 0.000 0.262 363 N C 1.104 176.628 175.510 0.024 0.000 1.202 363 N CA 0.473 53.534 53.050 0.019 0.000 0.926 363 N CB 1.137 39.635 38.487 0.018 0.000 1.078 363 N HN 0.088 nan 8.380 nan 0.000 0.454 364 T N -2.459 112.114 114.554 0.031 0.000 3.010 364 T HA 0.246 4.555 4.350 -0.068 0.000 0.257 364 T C 1.606 176.331 174.700 0.043 0.000 1.020 364 T CA 0.195 62.320 62.100 0.042 0.000 0.938 364 T CB 0.146 69.042 68.868 0.047 0.000 1.049 364 T HN 0.361 nan 8.240 nan 0.000 0.522 365 A N 2.125 124.966 122.820 0.034 0.000 1.903 365 A HA 0.103 4.382 4.320 -0.068 0.000 0.219 365 A C 2.567 180.174 177.584 0.037 0.000 1.191 365 A CA 2.115 54.172 52.037 0.032 0.000 0.638 365 A CB -1.679 17.337 19.000 0.027 0.000 0.823 365 A HN 0.622 nan 8.150 nan 0.000 0.451 366 G N -0.508 108.315 108.800 0.038 0.000 2.421 366 G HA2 -0.134 3.785 3.960 -0.068 0.000 0.216 366 G HA3 -0.134 3.785 3.960 -0.068 0.000 0.216 366 G C 1.479 176.413 174.900 0.055 0.000 1.171 366 G CA 1.227 46.353 45.100 0.042 0.000 0.775 366 G HN 0.525 nan 8.290 nan 0.000 0.543 367 L N 1.821 123.083 121.223 0.066 0.000 1.989 367 L HA -0.072 4.227 4.340 -0.068 0.000 0.211 367 L C 2.859 179.787 176.870 0.097 0.000 1.071 367 L CA 2.787 57.685 54.840 0.097 0.000 0.749 367 L CB -0.664 41.464 42.059 0.115 0.000 0.890 367 L HN 0.481 nan 8.230 nan 0.000 0.431 368 K N -0.937 119.508 120.400 0.076 0.000 2.439 368 K HA -0.174 4.105 4.320 -0.068 0.000 0.197 368 K C 2.185 178.812 176.600 0.045 0.000 1.041 368 K CA 1.128 57.454 56.287 0.064 0.000 0.970 368 K CB -0.398 32.129 32.500 0.045 0.000 0.773 368 K HN 0.391 nan 8.250 nan 0.000 0.479 369 R N 1.471 121.997 120.500 0.043 0.000 2.100 369 R HA -0.002 4.297 4.340 -0.068 0.000 0.220 369 R C 1.210 177.529 176.300 0.031 0.000 1.091 369 R CA 1.251 57.370 56.100 0.032 0.000 0.986 369 R CB -0.158 30.159 30.300 0.029 0.000 0.888 369 R HN 0.347 nan 8.270 nan 0.000 0.444 370 N N 0.435 119.160 118.700 0.042 0.000 2.244 370 N HA -0.141 4.558 4.740 -0.068 0.000 0.183 370 N C 1.466 176.987 175.510 0.017 0.000 1.016 370 N CA 0.550 53.620 53.050 0.035 0.000 0.866 370 N CB -0.003 38.513 38.487 0.048 0.000 0.980 370 N HN 0.057 nan 8.380 nan 0.000 0.430 371 L N 1.215 122.458 121.223 0.033 0.000 2.187 371 L HA -0.153 4.146 4.340 -0.068 0.000 0.213 371 L C 0.900 177.772 176.870 0.003 0.000 1.100 371 L CA 1.749 56.604 54.840 0.024 0.000 0.765 371 L CB -0.427 41.674 42.059 0.070 0.000 0.904 371 L HN 0.180 nan 8.230 nan 0.000 0.437 372 D N -1.393 119.011 120.400 0.007 0.000 2.350 372 D HA 0.014 4.613 4.640 -0.068 0.000 0.213 372 D C 0.771 177.071 176.300 -0.000 0.000 1.031 372 D CA 0.168 54.168 54.000 0.000 0.000 0.861 372 D CB 0.172 40.974 40.800 0.002 0.000 0.926 372 D HN 0.150 nan 8.370 nan 0.000 0.520 373 K N 1.576 121.977 120.400 0.002 0.000 2.401 373 K HA 0.141 4.420 4.320 -0.068 0.000 0.278 373 K C 0.109 176.705 176.600 -0.006 0.000 1.018 373 K CA -0.009 56.279 56.287 0.001 0.000 0.981 373 K CB 0.724 33.228 32.500 0.007 0.000 0.933 373 K HN 0.082 nan 8.250 nan 0.000 0.477 374 D N 0.244 120.641 120.400 -0.005 0.000 2.627 374 D HA 0.230 4.829 4.640 -0.068 0.000 0.259 374 D C -0.788 175.510 176.300 -0.005 0.000 1.164 374 D CA -0.712 53.283 54.000 -0.008 0.000 1.087 374 D CB 0.427 41.223 40.800 -0.006 0.000 1.217 374 D HN 0.388 nan 8.370 nan 0.000 0.630 375 D N -1.176 119.220 120.400 -0.005 0.000 2.713 375 D HA -0.256 4.343 4.640 -0.068 0.000 0.231 375 D C -0.728 175.571 176.300 -0.002 0.000 1.173 375 D CA 1.097 55.095 54.000 -0.003 0.000 0.628 375 D CB -1.605 39.196 40.800 0.001 0.000 1.033 375 D HN 0.621 nan 8.370 nan 0.000 0.419 376 N N -0.907 117.787 118.700 -0.010 0.000 2.446 376 N HA 0.301 5.000 4.740 -0.068 0.000 0.272 376 N C -0.064 175.425 175.510 -0.036 0.000 1.127 376 N CA -0.677 52.368 53.050 -0.008 0.000 0.896 376 N CB 1.497 39.986 38.487 0.004 0.000 1.658 376 N HN -0.116 nan 8.380 nan 0.000 0.483 377 K N 1.323 121.697 120.400 -0.043 0.000 2.544 377 K HA 0.296 4.575 4.320 -0.068 0.000 0.213 377 K C -0.363 176.164 176.600 -0.122 0.000 1.392 377 K CA -0.260 55.974 56.287 -0.089 0.000 0.980 377 K CB 0.811 33.259 32.500 -0.087 0.000 1.177 377 K HN 0.443 nan 8.250 nan 0.000 0.570 378 I N 1.789 122.321 120.570 -0.063 0.000 2.365 378 I HA 0.284 4.413 4.170 -0.068 0.000 0.291 378 I C -1.014 175.068 176.117 -0.059 0.000 1.004 378 I CA -0.594 60.669 61.300 -0.061 0.000 1.311 378 I CB 0.677 38.674 38.000 -0.005 0.000 1.401 378 I HN 0.000 nan 8.210 nan 0.000 0.491 379 I N 8.016 128.511 120.570 -0.125 0.000 2.476 379 I HA 0.279 4.408 4.170 -0.068 0.000 0.281 379 I C -0.965 175.177 176.117 0.041 0.000 1.040 379 I CA -0.762 60.484 61.300 -0.090 0.000 1.094 379 I CB 1.594 39.398 38.000 -0.327 0.000 1.219 379 I HN 0.172 nan 8.210 nan 0.000 0.450 380 V N 5.058 125.013 119.914 0.069 0.000 2.509 380 V HA 0.609 4.688 4.120 -0.068 0.000 0.284 380 V C 0.205 176.291 176.094 -0.013 0.000 1.047 380 V CA -0.059 62.243 62.300 0.003 0.000 0.952 380 V CB 1.448 33.211 31.823 -0.101 0.000 0.988 380 V HN 0.804 nan 8.190 nan 0.000 0.469 381 T N 2.250 116.764 114.554 -0.067 0.000 2.739 381 T HA 0.536 4.845 4.350 -0.068 0.000 0.303 381 T C -0.420 174.220 174.700 -0.101 0.000 1.389 381 T CA 0.087 62.170 62.100 -0.029 0.000 1.001 381 T CB 1.999 70.926 68.868 0.097 0.000 1.436 381 T HN 0.963 nan 8.240 nan 0.000 0.500 382 T N 0.512 115.032 114.554 -0.057 0.000 2.934 382 T HA 0.497 4.806 4.350 -0.068 0.000 0.283 382 T C 1.389 176.091 174.700 0.004 0.000 1.005 382 T CA -0.617 61.449 62.100 -0.056 0.000 1.041 382 T CB 1.010 69.846 68.868 -0.053 0.000 1.042 382 T HN 0.458 nan 8.240 nan 0.000 0.505 383 I N 1.126 121.716 120.570 0.035 0.000 2.361 383 I HA -0.097 4.032 4.170 -0.068 0.000 0.251 383 I C 2.388 178.534 176.117 0.049 0.000 1.133 383 I CA 1.580 62.933 61.300 0.088 0.000 1.413 383 I CB -0.552 37.532 38.000 0.140 0.000 1.073 383 I HN 0.709 nan 8.210 nan 0.000 0.424 384 Q N 0.488 120.306 119.800 0.030 0.000 2.061 384 Q HA -0.213 4.086 4.340 -0.068 0.000 0.204 384 Q C 2.244 178.256 176.000 0.019 0.000 0.984 384 Q CA 1.956 57.772 55.803 0.022 0.000 0.846 384 Q CB -0.286 28.463 28.738 0.018 0.000 0.902 384 Q HN 0.457 nan 8.270 nan 0.000 0.421 385 K N -0.257 120.155 120.400 0.019 0.000 2.031 385 K HA -0.090 4.189 4.320 -0.068 0.000 0.205 385 K C 1.998 178.624 176.600 0.044 0.000 1.049 385 K CA 0.876 57.180 56.287 0.028 0.000 0.939 385 K CB -0.309 32.207 32.500 0.027 0.000 0.717 385 K HN 0.077 nan 8.250 nan 0.000 0.438 386 L N 2.268 123.519 121.223 0.047 0.000 2.013 386 L HA -0.255 4.044 4.340 -0.068 0.000 0.212 386 L C 1.972 178.858 176.870 0.027 0.000 1.073 386 L CA 1.838 56.704 54.840 0.044 0.000 0.753 386 L CB -0.715 41.358 42.059 0.023 0.000 0.890 386 L HN 0.171 nan 8.230 nan 0.000 0.432 387 N N -0.421 118.283 118.700 0.007 0.000 2.061 387 N HA -0.240 4.459 4.740 -0.068 0.000 0.193 387 N C 1.613 177.125 175.510 0.003 0.000 1.030 387 N CA 1.953 54.992 53.050 -0.017 0.000 0.856 387 N CB -0.249 38.221 38.487 -0.028 0.000 1.023 387 N HN 0.409 nan 8.380 nan 0.000 0.424 388 N N 0.265 118.975 118.700 0.017 0.000 2.084 388 N HA -0.109 4.590 4.740 -0.068 0.000 0.190 388 N C 0.807 176.339 175.510 0.037 0.000 1.030 388 N CA 0.287 53.350 53.050 0.023 0.000 0.849 388 N CB -0.850 37.653 38.487 0.025 0.000 1.012 388 N HN 0.306 nan 8.380 nan 0.000 0.423 392 A N 1.169 124.011 122.820 0.035 0.000 2.169 392 A HA 0.054 4.333 4.320 -0.068 0.000 0.212 392 A C 0.219 177.827 177.584 0.040 0.000 1.153 392 A CA 1.142 53.199 52.037 0.032 0.000 0.756 392 A CB 0.123 19.141 19.000 0.031 0.000 0.813 392 A HN 0.197 nan 8.150 nan 0.000 0.471 393 E N -2.033 118.205 120.200 0.064 0.000 2.287 393 E HA 0.565 4.874 4.350 -0.068 0.000 0.274 393 E C -0.146 176.543 176.600 0.148 0.000 0.896 393 E CA -0.153 56.294 56.400 0.079 0.000 0.788 393 E CB 1.713 31.459 29.700 0.077 0.000 1.244 393 E HN -0.050 nan 8.360 nan 0.000 0.408 394 S N 2.347 118.118 115.700 0.118 0.000 2.593 394 S HA 0.134 4.563 4.470 -0.068 0.000 0.235 394 S C -0.125 174.586 174.600 0.186 0.000 1.059 394 S CA -0.139 58.161 58.200 0.167 0.000 0.953 394 S CB 0.411 63.657 63.200 0.077 0.000 0.897 394 S HN 0.447 nan 8.310 nan 0.000 0.507 395 D N 1.604 122.030 120.400 0.044 0.000 2.804 395 D HA 0.321 4.920 4.640 -0.068 0.000 0.308 395 D C -0.696 175.499 176.300 -0.175 0.000 1.371 395 D CA -0.105 53.886 54.000 -0.015 0.000 0.823 395 D CB 0.249 41.046 40.800 -0.005 0.000 1.126 395 D HN 0.288 nan 8.370 nan 0.000 0.467 396 L N 1.050 121.986 121.223 -0.479 0.000 2.455 396 L HA 0.148 4.447 4.340 -0.068 0.000 0.272 396 L C -0.928 175.644 176.870 -0.497 0.000 1.174 396 L CA -1.195 53.278 54.840 -0.611 0.000 0.869 396 L CB 0.529 41.989 42.059 -0.998 0.000 1.130 396 L HN -0.133 nan 8.230 nan 0.000 0.474 397 P HA -0.195 nan 4.420 nan 0.000 0.216 397 P C 1.695 178.929 177.300 -0.110 0.000 1.157 397 P CA 1.019 64.042 63.100 -0.127 0.000 0.880 397 P CB 0.045 31.699 31.700 -0.077 0.000 0.791 398 V N -2.013 117.823 119.914 -0.131 0.000 2.527 398 V HA -0.287 3.792 4.120 -0.068 0.000 0.255 398 V C 2.195 178.330 176.094 0.069 0.000 1.081 398 V CA 1.759 64.075 62.300 0.025 0.000 1.092 398 V CB -1.881 30.045 31.823 0.172 0.000 0.673 398 V HN 0.047 nan 8.190 nan 0.000 0.470 399 Y N 0.950 121.109 120.300 -0.234 0.000 2.274 399 Y HA -0.051 4.464 4.550 -0.058 0.000 0.290 399 Y C 2.267 178.100 175.900 -0.111 0.000 1.145 399 Y CA 0.749 58.597 58.100 -0.419 0.000 1.203 399 Y CB -0.685 37.537 38.460 -0.396 0.000 0.984 399 Y HN 0.424 nan 8.280 nan 0.000 0.533 400 N N -0.060 118.699 118.700 0.099 0.000 2.280 400 N HA 0.016 4.715 4.740 -0.068 0.000 0.192 400 N C 0.248 175.784 175.510 0.043 0.000 1.109 400 N CA 0.147 53.231 53.050 0.057 0.000 0.855 400 N CB 0.393 38.899 38.487 0.032 0.000 0.974 400 N HN 0.459 nan 8.380 nan 0.000 0.482 401 Q N 0.376 120.234 119.800 0.097 0.000 2.185 401 Q HA 0.226 4.525 4.340 -0.068 0.000 0.225 401 Q C -0.265 175.811 176.000 0.126 0.000 0.983 401 Q CA -0.524 55.337 55.803 0.097 0.000 0.950 401 Q CB 0.937 29.741 28.738 0.111 0.000 1.176 401 Q HN -0.088 nan 8.270 nan 0.000 0.510 402 Q N 1.111 120.988 119.800 0.127 0.000 2.361 402 Q HA 0.321 4.620 4.340 -0.068 0.000 0.250 402 Q C -1.643 174.510 176.000 0.255 0.000 1.023 402 Q CA -0.039 55.886 55.803 0.203 0.000 0.915 402 Q CB 0.698 29.585 28.738 0.248 0.000 1.238 402 Q HN 0.304 nan 8.270 nan 0.000 0.451 403 V N 4.447 124.551 119.914 0.318 0.000 2.735 403 V HA 0.564 4.643 4.120 -0.068 0.000 0.310 403 V C -0.753 175.497 176.094 0.259 0.000 1.061 403 V CA -0.860 61.572 62.300 0.221 0.000 0.913 403 V CB 2.321 34.289 31.823 0.242 0.000 1.005 403 V HN 0.507 nan 8.190 nan 0.000 0.428 404 V N 4.588 124.566 119.914 0.107 0.000 2.459 404 V HA 0.545 4.624 4.120 -0.068 0.000 0.295 404 V C -0.938 175.148 176.094 -0.014 0.000 1.029 404 V CA -0.461 61.983 62.300 0.241 0.000 0.874 404 V CB 1.651 33.638 31.823 0.273 0.000 0.985 404 V HN 0.691 nan 8.190 nan 0.000 0.438 405 F N 5.041 125.211 119.950 0.366 0.000 2.427 405 F HA 0.571 5.050 4.527 -0.080 0.000 0.348 405 F C 0.080 176.030 175.800 0.250 0.000 1.125 405 F CA -0.655 57.418 58.000 0.121 0.000 0.989 405 F CB 1.433 40.402 39.000 -0.052 0.000 1.165 405 F HN 0.196 nan 8.300 nan 0.000 0.442 406 I N 4.743 125.489 120.570 0.294 0.000 2.328 406 I HA 0.246 4.375 4.170 -0.068 0.000 0.287 406 I C -0.739 175.436 176.117 0.097 0.000 1.012 406 I CA -0.554 60.969 61.300 0.371 0.000 1.195 406 I CB 0.560 38.815 38.000 0.426 0.000 1.350 406 I HN 0.378 nan 8.210 nan 0.000 0.464 407 F N 3.884 124.078 119.950 0.407 0.000 2.405 407 F HA 0.219 4.698 4.527 -0.081 0.000 0.355 407 F C 0.728 176.624 175.800 0.160 0.000 1.121 407 F CA -0.638 57.488 58.000 0.211 0.000 1.112 407 F CB 0.888 40.038 39.000 0.250 0.000 1.126 407 F HN 0.397 nan 8.300 nan 0.000 0.481 408 D N 3.630 124.107 120.400 0.129 0.000 2.411 408 D HA 0.115 4.714 4.640 -0.068 0.000 0.225 408 D C 0.085 176.436 176.300 0.086 0.000 1.156 408 D CA -0.137 53.927 54.000 0.107 0.000 0.874 408 D CB 0.334 41.146 40.800 0.019 0.000 1.034 408 D HN 0.555 nan 8.370 nan 0.000 0.502 409 E N 2.149 122.413 120.200 0.106 0.000 2.252 409 E HA -0.217 4.092 4.350 -0.068 0.000 0.218 409 E C -1.224 175.354 176.600 -0.037 0.000 1.253 409 E CA 0.220 56.635 56.400 0.025 0.000 0.705 409 E CB -1.707 28.036 29.700 0.072 0.000 1.172 409 E HN 0.424 nan 8.360 nan 0.000 0.369 410 C N 1.717 120.947 119.300 -0.116 0.000 2.349 410 C HA 0.619 5.038 4.460 -0.068 0.000 0.348 410 C C 1.277 176.143 174.990 -0.207 0.000 1.223 410 C CA 0.053 58.995 59.018 -0.127 0.000 1.746 410 C CB -1.401 26.300 27.740 -0.065 0.000 2.360 410 C HN 0.654 nan 8.230 nan 0.000 0.533 411 H N 1.195 120.213 119.070 -0.087 0.000 2.660 411 H HA 0.614 5.129 4.556 -0.068 0.000 0.374 411 H C 1.151 176.467 175.328 -0.019 0.000 1.291 411 H CA 0.382 56.384 56.048 -0.077 0.000 1.437 411 H CB 0.343 nan 29.762 nan 0.000 1.509 411 H HN 0.863 nan 8.280 nan 0.000 0.614 412 R N -0.070 120.420 120.500 -0.016 0.000 2.334 412 R HA 0.274 4.573 4.340 -0.068 0.000 0.212 412 R C 2.252 178.574 176.300 0.037 0.000 0.897 412 R CA 1.471 57.550 56.100 -0.036 0.000 1.056 412 R CB -0.718 nan 30.300 nan 0.000 1.046 412 R HN 1.008 nan 8.270 nan 0.000 0.513 413 S N -1.393 114.329 115.700 0.037 0.000 2.979 413 S HA -0.052 4.377 4.470 -0.068 0.000 0.243 413 S C 1.672 176.273 174.600 0.002 0.000 1.036 413 S CA 0.442 58.648 58.200 0.011 0.000 0.846 413 S CB 0.068 63.270 63.200 0.003 0.000 0.806 413 S HN 0.252 nan 8.310 nan 0.000 0.568 414 Q N 0.836 120.647 119.800 0.018 0.000 2.142 414 Q HA -0.173 4.126 4.340 -0.068 0.000 0.213 414 Q C 1.742 177.743 176.000 0.001 0.000 1.004 414 Q CA 2.032 57.844 55.803 0.014 0.000 0.883 414 Q CB -0.970 27.793 28.738 0.041 0.000 0.939 414 Q HN 0.716 nan 8.270 nan 0.000 0.413 415 F N 0.076 119.951 119.950 -0.126 0.000 2.365 415 F HA -0.025 4.460 4.527 -0.070 0.000 0.300 415 F C 1.915 177.575 175.800 -0.234 0.000 1.090 415 F CA 1.468 59.348 58.000 -0.200 0.000 1.408 415 F CB -0.260 38.607 39.000 -0.222 0.000 1.060 415 F HN 0.079 nan 8.300 nan 0.000 0.534 416 G N -0.737 107.903 108.800 -0.266 0.000 2.426 416 G HA2 -0.151 3.768 3.960 -0.068 0.000 0.214 416 G HA3 -0.151 3.768 3.960 -0.068 0.000 0.214 416 G C 1.568 176.271 174.900 -0.328 0.000 1.156 416 G CA 0.443 45.344 45.100 -0.332 0.000 0.802 416 G HN 0.412 nan 8.290 nan 0.000 0.534 417 E N 0.435 120.493 120.200 -0.237 0.000 2.072 417 E HA -0.004 4.305 4.350 -0.068 0.000 0.190 417 E C 2.819 179.271 176.600 -0.246 0.000 0.982 417 E CA 0.720 57.004 56.400 -0.193 0.000 0.803 417 E CB -0.097 29.529 29.700 -0.123 0.000 0.755 417 E HN 0.307 nan 8.360 nan 0.000 0.453 418 A N 1.114 123.755 122.820 -0.298 0.000 1.940 418 A HA -0.229 4.050 4.320 -0.068 0.000 0.219 418 A C 2.117 179.409 177.584 -0.486 0.000 1.176 418 A CA 1.291 53.123 52.037 -0.342 0.000 0.631 418 A CB -0.435 18.371 19.000 -0.323 0.000 0.814 418 A HN 0.223 nan 8.150 nan 0.000 0.446 419 Q N 0.040 119.434 119.800 -0.675 0.000 2.050 419 Q HA -0.170 4.129 4.340 -0.068 0.000 0.202 419 Q C 2.032 177.778 176.000 -0.422 0.000 0.980 419 Q CA 1.754 57.157 55.803 -0.667 0.000 0.840 419 Q CB -0.390 27.878 28.738 -0.783 0.000 0.898 419 Q HN 0.748 nan 8.270 nan 0.000 0.424 420 K N 0.423 120.625 120.400 -0.331 0.000 2.059 420 K HA -0.156 4.123 4.320 -0.068 0.000 0.212 420 K C 1.762 178.240 176.600 -0.203 0.000 1.050 420 K CA 1.399 57.549 56.287 -0.228 0.000 0.927 420 K CB -0.117 32.275 32.500 -0.180 0.000 0.714 420 K HN 0.220 nan 8.250 nan 0.000 0.447 421 N N 0.836 119.411 118.700 -0.210 0.000 2.290 421 N HA -0.089 4.610 4.740 -0.068 0.000 0.179 421 N C 1.827 177.225 175.510 -0.187 0.000 1.016 421 N CA 0.564 53.511 53.050 -0.172 0.000 0.871 421 N CB -0.207 38.200 38.487 -0.133 0.000 0.987 421 N HN 0.078 nan 8.380 nan 0.000 0.431 422 L N 2.320 123.394 121.223 -0.249 0.000 2.012 422 L HA -0.108 4.191 4.340 -0.068 0.000 0.210 422 L C 1.710 178.416 176.870 -0.274 0.000 1.073 422 L CA 1.813 56.482 54.840 -0.284 0.000 0.748 422 L CB -0.973 40.685 42.059 -0.668 0.000 0.891 422 L HN -0.046 nan 8.230 nan 0.000 0.431 423 K N -0.239 119.987 120.400 -0.289 0.000 2.103 423 K HA -0.214 4.065 4.320 -0.068 0.000 0.207 423 K C 2.244 178.841 176.600 -0.004 0.000 1.048 423 K CA 1.693 57.925 56.287 -0.092 0.000 0.930 423 K CB -0.187 32.262 32.500 -0.085 0.000 0.716 423 K HN 0.367 nan 8.250 nan 0.000 0.444 424 K N 1.118 121.468 120.400 -0.083 0.000 2.025 424 K HA -0.132 4.147 4.320 -0.068 0.000 0.207 424 K C 1.795 178.332 176.600 -0.106 0.000 1.049 424 K CA 1.490 57.728 56.287 -0.081 0.000 0.933 424 K CB 0.193 32.625 32.500 -0.113 0.000 0.714 424 K HN 0.002 nan 8.250 nan 0.000 0.438 425 K N -1.218 119.064 120.400 -0.197 0.000 2.313 425 K HA 0.107 4.386 4.320 -0.068 0.000 0.197 425 K C -0.150 176.135 176.600 -0.526 0.000 1.061 425 K CA -0.117 55.867 56.287 -0.504 0.000 0.980 425 K CB 0.409 32.330 32.500 -0.964 0.000 0.888 425 K HN -0.087 nan 8.250 nan 0.000 0.502 426 F N 2.065 121.882 119.950 -0.221 0.000 2.438 426 F HA 0.109 4.587 4.527 -0.082 0.000 0.356 426 F C 1.286 177.235 175.800 0.248 0.000 1.099 426 F CA -0.149 57.913 58.000 0.103 0.000 1.185 426 F CB 1.023 40.173 39.000 0.250 0.000 1.115 426 F HN -0.277 nan 8.300 nan 0.000 0.526 427 K N 2.586 123.161 120.400 0.291 0.000 2.262 427 K HA 0.144 4.423 4.320 -0.068 0.000 0.200 427 K C 0.281 176.910 176.600 0.047 0.000 1.049 427 K CA 0.621 57.002 56.287 0.157 0.000 0.979 427 K CB 0.215 32.747 32.500 0.055 0.000 0.773 427 K HN 0.538 nan 8.250 nan 0.000 0.474 428 R N 0.603 121.139 120.500 0.060 0.000 2.721 428 R HA 0.199 4.498 4.340 -0.068 0.000 0.272 428 R C -1.426 174.844 176.300 -0.049 0.000 1.721 428 R CA -0.457 55.470 56.100 -0.289 0.000 1.325 428 R CB 0.885 30.785 30.300 -0.667 0.000 1.271 428 R HN 0.054 nan 8.270 nan 0.000 0.556 429 Y N -0.989 119.250 120.300 -0.102 0.000 2.524 429 Y HA 0.632 5.193 4.550 0.019 0.000 0.347 429 Y C -1.485 174.225 175.900 -0.316 0.000 1.005 429 Y CA -1.565 56.516 58.100 -0.032 0.000 1.025 429 Y CB 1.274 39.925 38.460 0.318 0.000 1.275 429 Y HN 0.141 nan 8.280 nan 0.000 0.460 430 Y N 2.364 123.009 120.300 0.575 0.000 2.326 430 Y HA 0.402 4.937 4.550 -0.025 0.000 0.331 430 Y C -0.567 175.640 175.900 0.512 0.000 0.962 430 Y CA -0.971 57.398 58.100 0.448 0.000 1.167 430 Y CB 1.885 40.652 38.460 0.512 0.000 1.148 430 Y HN 0.688 nan 8.280 nan 0.000 0.463 431 Q N 2.206 122.264 119.800 0.430 0.000 2.342 431 Q HA 0.831 5.130 4.340 -0.068 0.000 0.267 431 Q C -1.965 174.220 176.000 0.309 0.000 1.038 431 Q CA -0.802 55.357 55.803 0.593 0.000 0.832 431 Q CB 2.305 31.442 28.738 0.665 0.000 1.323 431 Q HN 0.527 nan 8.270 nan 0.000 0.448 432 F N -0.023 120.389 119.950 0.770 0.000 2.588 432 F HA 0.753 5.261 4.527 -0.032 0.000 0.310 432 F C 0.131 176.043 175.800 0.187 0.000 1.082 432 F CA -0.761 57.495 58.000 0.427 0.000 0.929 432 F CB 2.748 41.942 39.000 0.323 0.000 1.254 432 F HN 0.776 nan 8.300 nan 0.000 0.455 433 G N 1.217 109.717 108.800 -0.499 0.000 2.566 433 G HA2 0.664 4.583 3.960 -0.068 0.000 0.311 433 G HA3 0.664 4.583 3.960 -0.068 0.000 0.311 433 G C -2.069 172.736 174.900 -0.158 0.000 1.322 433 G CA -0.504 44.297 45.100 -0.497 0.000 0.969 433 G HN 0.301 nan 8.290 nan 0.000 0.490 434 F N 0.768 120.698 119.950 -0.034 0.000 2.436 434 F HA 0.741 5.226 4.527 -0.070 0.000 0.340 434 F C 0.672 176.479 175.800 0.012 0.000 1.113 434 F CA -0.535 57.483 58.000 0.030 0.000 1.022 434 F CB 2.781 41.842 39.000 0.102 0.000 1.128 434 F HN 0.460 nan 8.300 nan 0.000 0.466 435 T N 0.731 115.392 114.554 0.178 0.000 2.889 435 T HA 0.527 4.836 4.350 -0.068 0.000 0.315 435 T C 0.471 175.287 174.700 0.194 0.000 1.291 435 T CA -0.202 61.955 62.100 0.095 0.000 1.028 435 T CB 1.479 70.281 68.868 -0.109 0.000 1.235 435 T HN 0.667 nan 8.240 nan 0.000 0.491 436 G N 0.928 109.819 108.800 0.153 0.000 3.088 436 G HA2 0.308 4.227 3.960 -0.068 0.000 0.217 436 G HA3 0.308 4.227 3.960 -0.068 0.000 0.217 436 G C 0.389 175.281 174.900 -0.014 0.000 1.159 436 G CA 0.485 45.736 45.100 0.252 0.000 0.760 436 G HN 1.077 nan 8.290 nan 0.000 0.550 437 T N -0.796 113.551 114.554 -0.345 0.000 3.296 437 T HA 0.506 4.815 4.350 -0.068 0.000 0.333 437 T C -3.106 171.250 174.700 -0.573 0.000 1.280 437 T CA -1.698 59.932 62.100 -0.783 0.000 1.558 437 T CB 2.374 70.768 68.868 -0.789 0.000 0.929 437 T HN -0.152 nan 8.240 nan 0.000 0.596 438 P HA 0.307 nan 4.420 nan 0.000 0.270 438 P C -0.231 176.494 177.300 -0.958 0.000 1.227 438 P CA -0.502 62.043 63.100 -0.925 0.000 0.788 438 P CB 0.559 31.481 31.700 -1.298 0.000 0.926 439 I N 1.462 121.569 120.570 -0.772 0.000 2.304 439 I HA 0.269 4.398 4.170 -0.068 0.000 0.291 439 I C 0.220 175.967 176.117 -0.616 0.000 1.018 439 I CA -0.229 60.713 61.300 -0.596 0.000 1.260 439 I CB -0.121 37.670 38.000 -0.348 0.000 1.390 439 I HN 0.183 nan 8.210 nan 0.000 0.475 440 F N 6.401 126.268 119.950 -0.139 0.000 2.461 440 F HA 0.425 4.911 4.527 -0.068 0.000 0.337 440 F C -1.304 174.432 175.800 -0.107 0.000 1.079 440 F CA -1.934 55.992 58.000 -0.123 0.000 1.032 440 F CB -0.230 38.696 39.000 -0.124 0.000 1.327 440 F HN 0.254 nan 8.300 nan 0.000 0.491 441 P HA -0.168 nan 4.420 nan 0.000 0.216 441 P C 0.782 178.089 177.300 0.012 0.000 1.153 441 P CA 1.736 64.858 63.100 0.037 0.000 0.858 441 P CB 0.082 31.797 31.700 0.025 0.000 0.789 442 E N -0.472 119.741 120.200 0.022 0.000 2.204 442 E HA -0.151 4.158 4.350 -0.068 0.000 0.194 442 E C 0.999 177.546 176.600 -0.089 0.000 0.989 442 E CA 1.305 57.679 56.400 -0.043 0.000 0.824 442 E CB -1.029 28.625 29.700 -0.076 0.000 0.756 442 E HN 0.605 nan 8.360 nan 0.000 0.477 443 N N -0.968 117.692 118.700 -0.066 0.000 2.328 443 N HA 0.365 5.064 4.740 -0.068 0.000 0.247 443 N C 1.019 176.477 175.510 -0.087 0.000 1.165 443 N CA 0.290 53.260 53.050 -0.132 0.000 0.873 443 N CB 0.848 39.237 38.487 -0.163 0.000 1.125 443 N HN 0.073 nan 8.380 nan 0.000 0.513 444 A N 0.574 123.354 122.820 -0.067 0.000 1.872 444 A HA 0.061 4.340 4.320 -0.068 0.000 0.214 444 A C 0.955 178.505 177.584 -0.057 0.000 1.187 444 A CA 0.274 52.270 52.037 -0.069 0.000 0.614 444 A CB -0.356 18.613 19.000 -0.053 0.000 0.826 444 A HN 0.417 nan 8.150 nan 0.000 0.442 445 L N -0.363 120.831 121.223 -0.047 0.000 2.529 445 L HA 0.399 4.698 4.340 -0.068 0.000 0.287 445 L C 1.417 178.270 176.870 -0.028 0.000 1.241 445 L CA 1.407 56.225 54.840 -0.036 0.000 0.857 445 L CB -0.389 41.651 42.059 -0.031 0.000 1.113 445 L HN 0.972 nan 8.230 nan 0.000 0.504 446 G N 3.122 111.906 108.800 -0.028 0.000 4.610 446 G HA2 -0.327 3.592 3.960 -0.068 0.000 0.323 446 G HA3 -0.327 3.592 3.960 -0.068 0.000 0.323 446 G C 0.295 175.167 174.900 -0.045 0.000 1.377 446 G CA 0.327 45.407 45.100 -0.032 0.000 1.023 446 G HN 0.965 nan 8.290 nan 0.000 0.755 447 S N 1.562 117.230 115.700 -0.053 0.000 2.646 447 S HA 0.548 4.977 4.470 -0.068 0.000 0.276 447 S C 0.077 174.632 174.600 -0.074 0.000 1.222 447 S CA -0.484 57.678 58.200 -0.064 0.000 1.014 447 S CB 1.790 64.952 63.200 -0.064 0.000 0.991 447 S HN 0.641 nan 8.310 nan 0.000 0.533 448 E N 2.104 122.256 120.200 -0.081 0.000 2.568 448 E HA 0.008 4.317 4.350 -0.068 0.000 0.262 448 E C 0.451 176.991 176.600 -0.100 0.000 0.961 448 E CA 0.137 56.483 56.400 -0.089 0.000 0.945 448 E CB 0.329 29.962 29.700 -0.110 0.000 0.924 448 E HN 0.666 nan 8.360 nan 0.000 0.467 449 T N 0.684 115.177 114.554 -0.100 0.000 2.926 449 T HA -0.000 4.309 4.350 -0.068 0.000 0.307 449 T C 1.287 175.885 174.700 -0.170 0.000 1.059 449 T CA -0.324 61.695 62.100 -0.136 0.000 1.122 449 T CB 1.161 69.976 68.868 -0.088 0.000 0.972 449 T HN 0.411 nan 8.240 nan 0.000 0.545 450 T N 2.540 116.930 114.554 -0.274 0.000 2.653 450 T HA -0.196 4.113 4.350 -0.068 0.000 0.268 450 T C 2.396 176.897 174.700 -0.331 0.000 1.035 450 T CA 1.778 63.675 62.100 -0.338 0.000 1.154 450 T CB -0.948 67.529 68.868 -0.651 0.000 0.862 450 T HN 0.866 nan 8.240 nan 0.000 0.441 451 A N 1.556 124.177 122.820 -0.331 0.000 1.908 451 A HA -0.121 4.158 4.320 -0.068 0.000 0.218 451 A C 2.617 180.208 177.584 0.012 0.000 1.181 451 A CA 2.341 54.333 52.037 -0.075 0.000 0.627 451 A CB -0.994 18.048 19.000 0.070 0.000 0.818 451 A HN 0.604 nan 8.150 nan 0.000 0.445 452 S N -0.634 115.043 115.700 -0.039 0.000 2.402 452 S HA -0.089 4.340 4.470 -0.068 0.000 0.229 452 S C 1.785 176.343 174.600 -0.070 0.000 1.021 452 S CA 1.464 59.644 58.200 -0.034 0.000 0.974 452 S CB -0.595 62.575 63.200 -0.050 0.000 0.800 452 S HN 0.245 nan 8.310 nan 0.000 0.484 453 V N 0.100 119.936 119.914 -0.130 0.000 2.283 453 V HA 0.059 4.138 4.120 -0.068 0.000 0.243 453 V C 2.006 177.920 176.094 -0.299 0.000 1.039 453 V CA 1.825 63.947 62.300 -0.297 0.000 1.016 453 V CB -0.747 30.801 31.823 -0.458 0.000 0.650 453 V HN 0.574 nan 8.190 nan 0.000 0.449 454 F N -0.779 119.185 119.950 0.025 0.000 2.717 454 F HA 0.506 5.000 4.527 -0.054 0.000 0.295 454 F C 1.602 177.498 175.800 0.160 0.000 1.117 454 F CA 0.762 58.828 58.000 0.109 0.000 1.361 454 F CB 0.523 39.625 39.000 0.171 0.000 1.112 454 F HN 0.324 nan 8.300 nan 0.000 0.594 455 G N 0.879 109.873 108.800 0.322 0.000 2.496 455 G HA2 -0.236 3.683 3.960 -0.068 0.000 0.243 455 G HA3 -0.236 3.683 3.960 -0.068 0.000 0.243 455 G C -0.121 175.017 174.900 0.396 0.000 1.176 455 G CA -0.756 44.517 45.100 0.287 0.000 0.940 455 G HN 0.115 nan 8.290 nan 0.000 0.573 456 R N 1.460 122.126 120.500 0.278 0.000 2.679 456 R HA 0.263 4.562 4.340 -0.068 0.000 0.268 456 R C 0.513 176.804 176.300 -0.016 0.000 1.044 456 R CA 0.040 56.251 56.100 0.185 0.000 1.105 456 R CB 0.421 30.805 30.300 0.140 0.000 0.989 456 R HN 0.611 nan 8.270 nan 0.000 0.447 457 E N 3.374 123.420 120.200 -0.256 0.000 2.070 457 E HA -0.011 4.298 4.350 -0.068 0.000 0.282 457 E C 0.611 177.047 176.600 -0.273 0.000 1.104 457 E CA -0.122 55.835 56.400 -0.737 0.000 0.876 457 E CB 0.513 29.917 29.700 -0.494 0.000 1.055 457 E HN 0.510 nan 8.360 nan 0.000 0.401 458 L N 3.865 124.956 121.223 -0.219 0.000 2.209 458 L HA 0.081 4.380 4.340 -0.068 0.000 0.207 458 L C 1.203 178.087 176.870 0.024 0.000 1.094 458 L CA 0.577 55.400 54.840 -0.028 0.000 0.790 458 L CB -0.008 42.075 42.059 0.040 0.000 0.932 458 L HN 0.599 nan 8.230 nan 0.000 0.447 459 H N -0.788 118.198 119.070 -0.140 0.000 3.079 459 H HA 0.289 4.803 4.556 -0.070 0.000 0.356 459 H C -1.477 173.870 175.328 0.032 0.000 1.221 459 H CA -0.396 55.622 56.048 -0.050 0.000 1.185 459 H CB 2.256 32.007 29.762 -0.019 0.000 1.882 459 H HN -0.036 nan 8.280 nan 0.000 0.543 460 S N 2.959 118.376 115.700 -0.471 0.000 2.536 460 S HA 0.490 4.919 4.470 -0.068 0.000 0.287 460 S C -1.679 172.730 174.600 -0.319 0.000 1.101 460 S CA -0.775 57.292 58.200 -0.221 0.000 0.950 460 S CB 2.417 65.493 63.200 -0.207 0.000 1.056 460 S HN 0.528 nan 8.310 nan 0.000 0.481 461 Y N 2.722 122.819 120.300 -0.338 0.000 2.344 461 Y HA 0.495 5.004 4.550 -0.070 0.000 0.328 461 Y C -0.580 174.994 175.900 -0.545 0.000 1.067 461 Y CA -0.850 56.929 58.100 -0.535 0.000 1.247 461 Y CB 0.958 38.888 38.460 -0.883 0.000 1.113 461 Y HN 0.903 nan 8.280 nan 0.000 0.465 462 V N 2.808 122.246 119.914 -0.795 0.000 3.234 462 V HA 0.428 4.507 4.120 -0.068 0.000 0.317 462 V C 1.320 177.064 176.094 -0.584 0.000 1.081 462 V CA -0.523 61.327 62.300 -0.749 0.000 1.037 462 V CB 1.141 32.471 31.823 -0.821 0.000 1.148 462 V HN 0.693 nan 8.190 nan 0.000 0.453 463 I N 0.320 120.683 120.570 -0.344 0.000 2.163 463 I HA -0.197 3.932 4.170 -0.068 0.000 0.243 463 I C 2.708 178.644 176.117 -0.303 0.000 1.085 463 I CA 2.332 63.479 61.300 -0.256 0.000 1.347 463 I CB -1.128 36.808 38.000 -0.107 0.000 1.044 463 I HN 0.991 nan 8.210 nan 0.000 0.408 464 T N -1.367 113.025 114.554 -0.270 0.000 2.915 464 T HA -0.156 4.153 4.350 -0.068 0.000 0.269 464 T C 1.629 176.155 174.700 -0.291 0.000 1.071 464 T CA 1.466 63.430 62.100 -0.226 0.000 1.132 464 T CB -0.476 68.295 68.868 -0.161 0.000 0.878 464 T HN 0.276 nan 8.240 nan 0.000 0.479 465 D N 1.778 121.911 120.400 -0.446 0.000 2.084 465 D HA 0.025 4.624 4.640 -0.068 0.000 0.194 465 D C 2.544 178.470 176.300 -0.623 0.000 0.990 465 D CA 1.657 55.312 54.000 -0.575 0.000 0.826 465 D CB -0.734 39.503 40.800 -0.939 0.000 0.971 465 D HN 0.584 nan 8.370 nan 0.000 0.453 466 A N 0.623 122.966 122.820 -0.795 0.000 1.902 466 A HA -0.135 4.144 4.320 -0.068 0.000 0.217 466 A C 2.419 179.877 177.584 -0.211 0.000 1.181 466 A CA 0.953 52.715 52.037 -0.458 0.000 0.623 466 A CB -0.746 18.043 19.000 -0.352 0.000 0.818 466 A HN 0.188 nan 8.150 nan 0.000 0.443 467 I N -0.694 119.743 120.570 -0.220 0.000 2.179 467 I HA -0.268 3.861 4.170 -0.068 0.000 0.242 467 I C 2.684 178.737 176.117 -0.106 0.000 1.088 467 I CA 1.688 62.899 61.300 -0.147 0.000 1.357 467 I CB -0.289 37.622 38.000 -0.147 0.000 1.051 467 I HN 0.410 nan 8.210 nan 0.000 0.409 468 R N 0.885 121.313 120.500 -0.121 0.000 2.117 468 R HA -0.233 4.066 4.340 -0.068 0.000 0.243 468 R C 1.149 177.423 176.300 -0.042 0.000 1.143 468 R CA 2.159 58.214 56.100 -0.075 0.000 0.968 468 R CB -0.269 29.981 30.300 -0.084 0.000 0.863 468 R HN 0.320 nan 8.270 nan 0.000 0.444 469 D N 0.112 120.489 120.400 -0.037 0.000 2.350 469 D HA 0.002 4.601 4.640 -0.068 0.000 0.213 469 D C -0.165 176.127 176.300 -0.014 0.000 1.031 469 D CA 0.357 54.365 54.000 0.014 0.000 0.861 469 D CB 0.263 41.132 40.800 0.114 0.000 0.926 469 D HN 0.292 nan 8.370 nan 0.000 0.520 470 E N -0.465 119.710 120.200 -0.041 0.000 2.694 470 E HA -0.189 4.120 4.350 -0.068 0.000 0.272 470 E C 0.581 177.127 176.600 -0.089 0.000 1.040 470 E CA 0.270 56.632 56.400 -0.064 0.000 0.809 470 E CB -0.335 29.330 29.700 -0.058 0.000 1.389 470 E HN 0.091 nan 8.360 nan 0.000 0.413 471 K N -0.498 119.873 120.400 -0.049 0.000 2.358 471 K HA 0.216 4.495 4.320 -0.068 0.000 0.197 471 K C 0.144 176.724 176.600 -0.034 0.000 1.025 471 K CA 0.291 56.561 56.287 -0.028 0.000 1.104 471 K CB 1.427 33.991 32.500 0.107 0.000 0.855 471 K HN 0.036 nan 8.250 nan 0.000 0.531 472 V N 1.508 121.383 119.914 -0.065 0.000 3.012 472 V HA 0.325 4.404 4.120 -0.068 0.000 0.307 472 V C -0.652 175.374 176.094 -0.113 0.000 1.166 472 V CA -0.944 61.310 62.300 -0.077 0.000 0.974 472 V CB 2.801 34.574 31.823 -0.083 0.000 1.040 472 V HN -0.012 nan 8.190 nan 0.000 0.428 473 L N 3.224 124.379 121.223 -0.113 0.000 2.421 473 L HA 0.484 4.783 4.340 -0.068 0.000 0.263 473 L C 0.639 177.383 176.870 -0.210 0.000 1.122 473 L CA -0.530 54.250 54.840 -0.100 0.000 0.804 473 L CB 0.738 42.772 42.059 -0.043 0.000 1.150 473 L HN 0.574 nan 8.230 nan 0.000 0.457 474 K N 0.875 121.205 120.400 -0.117 0.000 2.136 474 K HA 0.377 4.656 4.320 -0.068 0.000 0.237 474 K C -0.968 175.540 176.600 -0.153 0.000 1.048 474 K CA -0.095 56.069 56.287 -0.204 0.000 0.880 474 K CB 0.461 32.924 32.500 -0.062 0.000 1.105 474 K HN 0.261 nan 8.250 nan 0.000 0.507 475 F N 0.626 120.561 119.950 -0.026 0.000 2.482 475 F HA 0.282 4.768 4.527 -0.069 0.000 0.331 475 F C 0.407 176.068 175.800 -0.232 0.000 1.115 475 F CA -0.968 56.989 58.000 -0.071 0.000 0.955 475 F CB 1.783 40.790 39.000 0.012 0.000 1.136 475 F HN 0.184 nan 8.300 nan 0.000 0.452 476 K N 4.073 124.396 120.400 -0.127 0.000 2.293 476 K HA 0.576 4.855 4.320 -0.068 0.000 0.267 476 K C -1.668 174.792 176.600 -0.234 0.000 1.010 476 K CA -0.342 55.750 56.287 -0.324 0.000 0.875 476 K CB 1.382 33.504 32.500 -0.630 0.000 1.106 476 K HN 0.501 nan 8.250 nan 0.000 0.450 477 V N 4.559 124.364 119.914 -0.181 0.000 2.487 477 V HA 0.407 4.486 4.120 -0.068 0.000 0.298 477 V C -0.759 175.253 176.094 -0.137 0.000 1.028 477 V CA -0.768 61.419 62.300 -0.189 0.000 0.860 477 V CB 1.775 33.552 31.823 -0.076 0.000 0.991 477 V HN 0.825 nan 8.190 nan 0.000 0.427 478 D N 2.679 122.986 120.400 -0.156 0.000 2.990 478 D HA 0.198 4.797 4.640 -0.068 0.000 0.227 478 D C -1.328 174.932 176.300 -0.068 0.000 1.249 478 D CA -0.349 53.593 54.000 -0.095 0.000 0.891 478 D CB 2.835 43.564 40.800 -0.119 0.000 1.647 478 D HN 0.650 nan 8.370 nan 0.000 0.530 479 Y N 2.370 122.576 120.300 -0.156 0.000 2.393 479 Y HA 0.063 4.573 4.550 -0.068 0.000 0.338 479 Y C 0.703 176.485 175.900 -0.197 0.000 1.029 479 Y CA -0.445 57.554 58.100 -0.170 0.000 1.239 479 Y CB 0.567 38.973 38.460 -0.090 0.000 1.170 479 Y HN 0.313 nan 8.280 nan 0.000 0.515 480 N N 5.959 124.435 118.700 -0.374 0.000 2.671 480 N HA -0.097 4.602 4.740 -0.068 0.000 0.274 480 N C -1.100 173.978 175.510 -0.721 0.000 1.188 480 N CA -0.218 52.512 53.050 -0.533 0.000 1.065 480 N CB -0.038 38.081 38.487 -0.613 0.000 1.415 480 N HN 0.668 nan 8.380 nan 0.000 0.511 481 D N 3.509 123.402 120.400 -0.846 0.000 2.494 481 D HA 0.100 4.699 4.640 -0.068 0.000 0.217 481 D C -0.029 176.004 176.300 -0.445 0.000 1.153 481 D CA -0.250 53.221 54.000 -0.881 0.000 0.954 481 D CB 0.609 40.906 40.800 -0.838 0.000 1.034 481 D HN 0.171 nan 8.370 nan 0.000 0.518 482 V N 4.261 123.940 119.914 -0.391 0.000 3.537 482 V HA 0.220 4.299 4.120 -0.068 0.000 0.315 482 V C -0.085 175.856 176.094 -0.256 0.000 1.541 482 V CA -0.189 61.889 62.300 -0.370 0.000 1.160 482 V CB -0.067 31.344 31.823 -0.688 0.000 0.998 482 V HN 0.389 nan 8.190 nan 0.000 0.473 483 R N 1.332 121.749 120.500 -0.139 0.000 2.651 483 R HA 0.322 4.621 4.340 -0.068 0.000 0.282 483 R C -1.895 174.405 176.300 -0.000 0.000 1.565 483 R CA -1.457 54.639 56.100 -0.006 0.000 1.661 483 R CB 0.908 31.292 30.300 0.141 0.000 1.189 483 R HN 0.189 nan 8.270 nan 0.000 0.621 484 P HA -0.292 nan 4.420 nan 0.000 0.217 484 P C 1.102 178.306 177.300 -0.159 0.000 1.148 484 P CA 1.256 64.309 63.100 -0.079 0.000 0.834 484 P CB 0.385 32.041 31.700 -0.074 0.000 0.783 485 Q N -1.257 118.362 119.800 -0.301 0.000 2.135 485 Q HA -0.149 4.150 4.340 -0.068 0.000 0.204 485 Q C 1.201 176.766 176.000 -0.726 0.000 0.981 485 Q CA 1.385 56.804 55.803 -0.640 0.000 0.856 485 Q CB -0.247 27.859 28.738 -1.052 0.000 0.902 485 Q HN 0.314 nan 8.270 nan 0.000 0.425 486 F N -1.247 118.656 119.950 -0.078 0.000 2.682 486 F HA 0.199 4.685 4.527 -0.068 0.000 0.308 486 F C 1.736 177.532 175.800 -0.007 0.000 1.093 486 F CA -0.314 57.644 58.000 -0.070 0.000 1.244 486 F CB 0.375 39.345 39.000 -0.050 0.000 1.052 486 F HN -0.077 nan 8.300 nan 0.000 0.573 487 K N 1.338 121.809 120.400 0.119 0.000 2.063 487 K HA -0.201 4.078 4.320 -0.068 0.000 0.208 487 K C 2.260 178.929 176.600 0.116 0.000 1.048 487 K CA 2.072 58.453 56.287 0.157 0.000 0.928 487 K CB -0.159 32.400 32.500 0.099 0.000 0.713 487 K HN 0.254 nan 8.250 nan 0.000 0.442 488 S N 0.336 116.060 115.700 0.040 0.000 2.383 488 S HA -0.121 4.308 4.470 -0.068 0.000 0.227 488 S C 1.919 176.518 174.600 -0.002 0.000 1.026 488 S CA 0.793 59.001 58.200 0.012 0.000 0.981 488 S CB -0.444 62.743 63.200 -0.021 0.000 0.818 488 S HN 0.176 nan 8.310 nan 0.000 0.472 489 L N 2.248 123.448 121.223 -0.038 0.000 1.990 489 L HA -0.043 4.256 4.340 -0.068 0.000 0.213 489 L C 2.584 179.471 176.870 0.028 0.000 1.072 489 L CA 1.854 56.602 54.840 -0.153 0.000 0.755 489 L CB -1.354 40.486 42.059 -0.364 0.000 0.889 489 L HN 0.441 nan 8.230 nan 0.000 0.432 490 E N -1.660 118.635 120.200 0.159 0.000 2.478 490 E HA -0.100 4.209 4.350 -0.068 0.000 0.198 490 E C 1.228 177.867 176.600 0.065 0.000 1.046 490 E CA 1.052 57.614 56.400 0.271 0.000 0.870 490 E CB -0.012 29.919 29.700 0.385 0.000 0.818 490 E HN 0.622 nan 8.360 nan 0.000 0.527 491 T N -2.493 112.086 114.554 0.042 0.000 3.091 491 T HA 0.077 4.386 4.350 -0.068 0.000 0.277 491 T C 0.346 175.049 174.700 0.007 0.000 0.996 491 T CA -0.494 61.588 62.100 -0.030 0.000 0.897 491 T CB 0.279 69.138 68.868 -0.015 0.000 1.109 491 T HN -0.156 nan 8.240 nan 0.000 0.534 492 E N 2.941 123.170 120.200 0.049 0.000 2.465 492 E HA 0.134 4.443 4.350 -0.068 0.000 0.260 492 E C 1.330 177.954 176.600 0.040 0.000 0.980 492 E CA 0.711 57.139 56.400 0.047 0.000 0.927 492 E CB 1.036 30.778 29.700 0.070 0.000 0.934 492 E HN 0.450 nan 8.360 nan 0.000 0.459 493 T N 0.453 115.020 114.554 0.020 0.000 3.042 493 T HA 0.032 4.341 4.350 -0.068 0.000 0.245 493 T C 0.614 175.325 174.700 0.017 0.000 1.029 493 T CA 0.105 62.211 62.100 0.010 0.000 1.120 493 T CB -0.137 68.730 68.868 -0.003 0.000 0.917 493 T HN 0.453 nan 8.240 nan 0.000 0.467 494 D N 2.192 122.604 120.400 0.021 0.000 2.450 494 D HA 0.199 4.798 4.640 -0.068 0.000 0.247 494 D C 1.273 177.592 176.300 0.032 0.000 1.162 494 D CA 0.860 54.873 54.000 0.022 0.000 0.879 494 D CB 1.363 42.175 40.800 0.019 0.000 1.163 494 D HN 0.596 nan 8.370 nan 0.000 0.472 495 E N 4.327 124.543 120.200 0.027 0.000 2.112 495 E HA -0.167 4.142 4.350 -0.068 0.000 0.190 495 E C 1.907 178.528 176.600 0.035 0.000 0.979 495 E CA 1.188 57.606 56.400 0.030 0.000 0.814 495 E CB -0.359 29.353 29.700 0.020 0.000 0.762 495 E HN 0.648 nan 8.360 nan 0.000 0.460 496 K N 0.236 120.653 120.400 0.028 0.000 2.044 496 K HA -0.229 4.050 4.320 -0.068 0.000 0.210 496 K C 2.384 179.006 176.600 0.036 0.000 1.049 496 K CA 1.876 58.179 56.287 0.027 0.000 0.927 496 K CB -0.065 32.446 32.500 0.020 0.000 0.713 496 K HN 0.255 nan 8.250 nan 0.000 0.443 497 K N 0.351 120.774 120.400 0.039 0.000 2.057 497 K HA -0.128 4.151 4.320 -0.068 0.000 0.206 497 K C 2.193 178.842 176.600 0.082 0.000 1.050 497 K CA 1.105 57.419 56.287 0.045 0.000 0.935 497 K CB -0.169 32.351 32.500 0.034 0.000 0.715 497 K HN 0.220 nan 8.250 nan 0.000 0.439 498 L N 1.476 122.762 121.223 0.106 0.000 2.141 498 L HA -0.162 4.137 4.340 -0.068 0.000 0.209 498 L C 2.518 179.485 176.870 0.162 0.000 1.094 498 L CA 1.308 56.259 54.840 0.186 0.000 0.763 498 L CB -0.378 41.764 42.059 0.138 0.000 0.908 498 L HN 0.254 nan 8.230 nan 0.000 0.437 499 S N -0.751 115.003 115.700 0.089 0.000 2.436 499 S HA 0.009 4.438 4.470 -0.068 0.000 0.228 499 S C 2.007 176.650 174.600 0.072 0.000 1.014 499 S CA 0.510 58.750 58.200 0.066 0.000 0.950 499 S CB -0.125 63.096 63.200 0.035 0.000 0.784 499 S HN 0.323 nan 8.310 nan 0.000 0.504 500 A N 1.278 124.139 122.820 0.069 0.000 2.119 500 A HA 0.561 4.840 4.320 -0.068 0.000 0.217 500 A C 2.115 179.739 177.584 0.067 0.000 1.153 500 A CA 1.027 53.097 52.037 0.054 0.000 0.692 500 A CB -0.731 18.291 19.000 0.036 0.000 0.799 500 A HN 0.757 nan 8.150 nan 0.000 0.458 501 A N -0.826 122.063 122.820 0.115 0.000 2.308 501 A HA 0.312 4.591 4.320 -0.068 0.000 0.217 501 A C 0.798 178.529 177.584 0.245 0.000 1.216 501 A CA 0.134 52.239 52.037 0.115 0.000 0.864 501 A CB -0.080 18.937 19.000 0.028 0.000 0.902 501 A HN 0.242 nan 8.150 nan 0.000 0.499 502 E N 2.031 122.361 120.200 0.216 0.000 1.999 502 E HA 0.218 4.527 4.350 -0.068 0.000 0.296 502 E C -0.547 176.106 176.600 0.089 0.000 1.187 502 E CA -0.028 56.474 56.400 0.169 0.000 1.229 502 E CB -0.810 28.941 29.700 0.085 0.000 1.131 502 E HN 0.798 nan 8.360 nan 0.000 0.478 503 N N -1.281 117.472 118.700 0.088 0.000 3.020 503 N HA 0.055 4.754 4.740 -0.068 0.000 0.248 503 N C 0.160 175.682 175.510 0.020 0.000 1.480 503 N CA -0.740 52.331 53.050 0.034 0.000 0.874 503 N CB 0.531 39.033 38.487 0.025 0.000 1.433 503 N HN -0.106 nan 8.380 nan 0.000 0.530 504 Q N -0.768 119.023 119.800 -0.015 0.000 2.436 504 Q HA -0.029 4.270 4.340 -0.068 0.000 0.209 504 Q C 0.423 176.410 176.000 -0.021 0.000 0.965 504 Q CA 0.881 56.654 55.803 -0.050 0.000 0.910 504 Q CB -0.124 28.563 28.738 -0.085 0.000 0.980 504 Q HN 0.590 nan 8.270 nan 0.000 0.491 505 Q N -0.020 119.797 119.800 0.028 0.000 2.245 505 Q HA 0.066 4.365 4.340 -0.068 0.000 0.201 505 Q C 1.170 177.262 176.000 0.153 0.000 0.955 505 Q CA 1.269 57.124 55.803 0.086 0.000 0.870 505 Q CB 0.317 29.085 28.738 0.049 0.000 0.945 505 Q HN 0.416 nan 8.270 nan 0.000 0.461 506 A N -0.928 121.943 122.820 0.084 0.000 2.085 506 A HA 0.224 4.503 4.320 -0.068 0.000 0.202 506 A C 1.211 178.770 177.584 -0.041 0.000 2.124 506 A CA -0.243 51.795 52.037 0.002 0.000 1.584 506 A CB -0.854 18.090 19.000 -0.093 0.000 1.136 506 A HN 0.088 nan 8.150 nan 0.000 0.493 507 F N 0.770 120.721 119.950 0.002 0.000 2.216 507 F HA 0.062 4.548 4.527 -0.068 0.000 0.300 507 F C 1.386 177.102 175.800 -0.140 0.000 1.085 507 F CA 1.323 59.288 58.000 -0.058 0.000 1.326 507 F CB -0.073 38.913 39.000 -0.023 0.000 1.027 507 F HN 0.096 nan 8.300 nan 0.000 0.497 508 L N -1.257 120.000 121.223 0.057 0.000 3.017 508 L HA 0.153 4.452 4.340 -0.068 0.000 0.255 508 L C 0.363 177.175 176.870 -0.096 0.000 1.247 508 L CA -0.331 54.463 54.840 -0.077 0.000 1.038 508 L CB -0.801 41.207 42.059 -0.084 0.000 1.380 508 L HN -0.019 nan 8.230 nan 0.000 0.548 509 H N 4.144 123.123 119.070 -0.153 0.000 3.167 509 H HA 0.017 4.532 4.556 -0.068 0.000 0.306 509 H C -1.946 173.264 175.328 -0.198 0.000 0.965 509 H CA -0.652 55.318 56.048 -0.131 0.000 1.408 509 H CB 0.807 30.526 29.762 -0.071 0.000 1.406 509 H HN 0.068 nan 8.280 nan 0.000 0.576 513 I N 2.387 122.756 120.570 -0.335 0.000 2.226 513 I HA -0.229 3.900 4.170 -0.068 0.000 0.245 513 I C 2.330 178.278 176.117 -0.283 0.000 1.100 513 I CA 1.704 62.758 61.300 -0.411 0.000 1.374 513 I CB -1.178 36.523 38.000 -0.499 0.000 1.057 513 I HN 0.473 nan 8.210 nan 0.000 0.413 514 Q N 0.971 120.659 119.800 -0.188 0.000 2.020 514 Q HA -0.232 4.067 4.340 -0.068 0.000 0.202 514 Q C 2.176 178.113 176.000 -0.103 0.000 0.982 514 Q CA 1.922 57.644 55.803 -0.135 0.000 0.838 514 Q CB 0.073 28.771 28.738 -0.067 0.000 0.899 514 Q HN 0.509 nan 8.270 nan 0.000 0.423 515 E N 0.195 120.361 120.200 -0.058 0.000 2.051 515 E HA -0.189 4.120 4.350 -0.068 0.000 0.192 515 E C 2.080 178.662 176.600 -0.030 0.000 0.991 515 E CA 1.376 57.778 56.400 0.004 0.000 0.799 515 E CB -0.107 29.621 29.700 0.047 0.000 0.748 515 E HN 0.426 nan 8.360 nan 0.000 0.449 516 I N 0.892 121.370 120.570 -0.154 0.000 2.127 516 I HA -0.282 3.847 4.170 -0.068 0.000 0.241 516 I C 2.386 178.365 176.117 -0.230 0.000 1.075 516 I CA 1.306 62.400 61.300 -0.342 0.000 1.334 516 I CB -0.589 37.115 38.000 -0.494 0.000 1.040 516 I HN 0.153 nan 8.210 nan 0.000 0.405 517 T N -0.268 114.160 114.554 -0.211 0.000 2.746 517 T HA -0.261 4.048 4.350 -0.068 0.000 0.267 517 T C 1.817 176.351 174.700 -0.278 0.000 1.039 517 T CA 1.484 63.333 62.100 -0.418 0.000 1.142 517 T CB -0.256 68.233 68.868 -0.632 0.000 0.866 517 T HN 0.252 nan 8.240 nan 0.000 0.444 518 Q N 0.079 119.803 119.800 -0.128 0.000 2.084 518 Q HA -0.121 4.178 4.340 -0.068 0.000 0.202 518 Q C 1.908 177.947 176.000 0.064 0.000 0.978 518 Q CA 1.501 57.284 55.803 -0.034 0.000 0.844 518 Q CB -0.518 28.224 28.738 0.006 0.000 0.898 518 Q HN 0.737 nan 8.270 nan 0.000 0.426 519 Y N -0.082 120.236 120.300 0.029 0.000 2.181 519 Y HA -0.157 4.352 4.550 -0.068 0.000 0.288 519 Y C 1.637 177.602 175.900 0.109 0.000 1.146 519 Y CA 1.745 59.933 58.100 0.146 0.000 1.164 519 Y CB -0.098 38.488 38.460 0.210 0.000 0.982 519 Y HN 0.142 nan 8.280 nan 0.000 0.515 520 I N -0.261 120.356 120.570 0.079 0.000 2.252 520 I HA -0.309 3.820 4.170 -0.068 0.000 0.245 520 I C 2.309 178.441 176.117 0.025 0.000 1.102 520 I CA 1.241 62.486 61.300 -0.091 0.000 1.385 520 I CB -0.480 37.424 38.000 -0.160 0.000 1.064 520 I HN 0.285 nan 8.210 nan 0.000 0.414 521 L N 0.601 121.882 121.223 0.097 0.000 2.017 521 L HA -0.220 4.079 4.340 -0.068 0.000 0.208 521 L C 2.242 179.173 176.870 0.103 0.000 1.073 521 L CA 1.351 56.283 54.840 0.153 0.000 0.745 521 L CB -0.684 41.454 42.059 0.132 0.000 0.894 521 L HN 0.304 nan 8.230 nan 0.000 0.432 522 N N 0.007 118.711 118.700 0.007 0.000 2.289 522 N HA -0.140 4.559 4.740 -0.068 0.000 0.184 522 N C 1.178 176.663 175.510 -0.043 0.000 1.016 522 N CA 1.020 54.049 53.050 -0.034 0.000 0.872 522 N CB -0.196 38.222 38.487 -0.116 0.000 0.973 522 N HN 0.418 nan 8.380 nan 0.000 0.433 523 N N -0.965 117.680 118.700 -0.093 0.000 2.171 523 N HA 0.048 4.747 4.740 -0.068 0.000 0.212 523 N C 0.981 176.565 175.510 0.123 0.000 1.184 523 N CA -0.235 52.770 53.050 -0.076 0.000 0.888 523 N CB 0.310 38.573 38.487 -0.374 0.000 1.038 523 N HN 0.099 nan 8.380 nan 0.000 0.517 524 F N 3.035 123.023 119.950 0.065 0.000 2.043 524 F HA -0.164 4.322 4.527 -0.069 0.000 0.297 524 F C 2.437 178.336 175.800 0.166 0.000 1.121 524 F CA 1.752 59.856 58.000 0.174 0.000 1.199 524 F CB 0.119 39.185 39.000 0.111 0.000 0.968 524 F HN -0.142 nan 8.300 nan 0.000 0.478 525 R N -0.476 120.226 120.500 0.337 0.000 2.096 525 R HA -0.204 4.095 4.340 -0.068 0.000 0.235 525 R C 2.240 178.589 176.300 0.082 0.000 1.127 525 R CA 1.509 57.739 56.100 0.216 0.000 0.968 525 R CB -0.465 29.967 30.300 0.219 0.000 0.861 525 R HN 0.363 nan 8.270 nan 0.000 0.440 526 Q N 1.064 120.910 119.800 0.077 0.000 2.050 526 Q HA -0.137 4.162 4.340 -0.068 0.000 0.202 526 Q C 1.617 177.619 176.000 0.003 0.000 0.980 526 Q CA 1.659 57.486 55.803 0.039 0.000 0.840 526 Q CB 0.123 28.903 28.738 0.071 0.000 0.898 526 Q HN -0.008 nan 8.270 nan 0.000 0.424 527 K N -0.369 120.053 120.400 0.036 0.000 2.147 527 K HA -0.069 4.210 4.320 -0.068 0.000 0.205 527 K C 1.834 178.515 176.600 0.135 0.000 1.049 527 K CA 1.719 58.037 56.287 0.052 0.000 0.936 527 K CB -0.289 32.233 32.500 0.037 0.000 0.722 527 K HN 0.551 nan 8.250 nan 0.000 0.446 528 T N -3.050 111.529 114.554 0.041 0.000 3.069 528 T HA 0.071 4.380 4.350 -0.068 0.000 0.252 528 T C 0.170 175.042 174.700 0.286 0.000 1.053 528 T CA -0.353 61.811 62.100 0.105 0.000 0.964 528 T CB -0.341 68.357 68.868 -0.283 0.000 1.005 528 T HN 0.288 nan 8.240 nan 0.000 0.532 529 H N 1.114 120.188 119.070 0.006 0.000 2.826 529 H HA -0.107 4.408 4.556 -0.068 0.000 0.306 529 H C 0.394 175.677 175.328 -0.075 0.000 1.235 529 H CA 0.370 56.408 56.048 -0.018 0.000 1.150 529 H CB -1.169 28.574 29.762 -0.031 0.000 1.409 529 H HN 0.489 nan 8.280 nan 0.000 0.420 530 R N -0.214 120.323 120.500 0.060 0.000 2.466 530 R HA 0.061 4.360 4.340 -0.068 0.000 0.279 530 R C 1.548 177.892 176.300 0.073 0.000 0.976 530 R CA 0.258 56.388 56.100 0.050 0.000 1.081 530 R CB 0.537 30.894 30.300 0.094 0.000 1.215 530 R HN 0.123 nan 8.270 nan 0.000 0.546 531 T N 0.638 115.243 114.554 0.084 0.000 2.978 531 T HA -0.004 4.304 4.350 -0.068 0.000 0.262 531 T C 0.730 175.504 174.700 0.124 0.000 1.063 531 T CA 0.456 62.613 62.100 0.096 0.000 1.140 531 T CB -0.092 68.825 68.868 0.081 0.000 0.886 531 T HN 0.041 nan 8.240 nan 0.000 0.470 532 F N 3.051 122.994 119.950 -0.011 0.000 2.468 532 F HA 0.129 4.615 4.527 -0.068 0.000 0.263 532 F C -1.856 173.934 175.800 -0.017 0.000 1.149 532 F CA -0.727 57.269 58.000 -0.007 0.000 1.279 532 F CB -0.159 38.829 39.000 -0.021 0.000 1.399 532 F HN 0.029 nan 8.300 nan 0.000 0.515 533 P HA 0.358 nan 4.420 nan 0.000 0.304 533 P C -0.426 176.655 177.300 -0.364 0.000 1.360 533 P CA 0.123 63.087 63.100 -0.226 0.000 0.869 533 P CB 1.449 33.071 31.700 -0.129 0.000 0.988 534 G N 2.049 110.320 108.800 -0.882 0.000 2.159 534 G HA2 -0.229 3.690 3.960 -0.068 0.000 0.256 534 G HA3 -0.229 3.690 3.960 -0.068 0.000 0.256 534 G C 0.224 174.895 174.900 -0.382 0.000 0.977 534 G CA 0.239 44.600 45.100 -1.230 0.000 0.652 534 G HN 0.828 nan 8.290 nan 0.000 0.531 535 S N -0.320 115.287 115.700 -0.155 0.000 2.528 535 S HA 0.598 5.027 4.470 -0.068 0.000 0.277 535 S C 1.265 175.800 174.600 -0.109 0.000 1.297 535 S CA 0.524 58.678 58.200 -0.076 0.000 1.052 535 S CB 2.257 65.462 63.200 0.008 0.000 0.917 535 S HN 0.433 nan 8.310 nan 0.000 0.492 536 K N 4.116 124.443 120.400 -0.122 0.000 1.984 536 K HA 0.181 4.460 4.320 -0.068 0.000 0.209 536 K C 1.347 177.810 176.600 -0.228 0.000 1.046 536 K CA 1.833 58.042 56.287 -0.130 0.000 0.934 536 K CB -1.337 31.102 32.500 -0.102 0.000 0.717 536 K HN 1.307 nan 8.250 nan 0.000 0.438 537 G N -1.256 107.268 108.800 -0.460 0.000 2.569 537 G HA2 -0.274 3.645 3.960 -0.068 0.000 0.259 537 G HA3 -0.274 3.645 3.960 -0.068 0.000 0.259 537 G C -0.023 174.325 174.900 -0.920 0.000 1.263 537 G CA 0.174 44.771 45.100 -0.839 0.000 0.928 537 G HN 0.303 nan 8.290 nan 0.000 0.572 538 F N 0.484 120.404 119.950 -0.050 0.000 2.706 538 F HA 0.623 5.110 4.527 -0.068 0.000 0.328 538 F C 0.685 176.469 175.800 -0.027 0.000 1.123 538 F CA -0.404 57.538 58.000 -0.098 0.000 0.978 538 F CB 2.060 40.958 39.000 -0.170 0.000 1.404 538 F HN 0.994 nan 8.300 nan 0.000 0.497 539 N N 0.131 118.969 118.700 0.229 0.000 3.379 539 N HA 0.915 5.614 4.740 -0.068 0.000 0.350 539 N C -1.607 174.003 175.510 0.166 0.000 1.553 539 N CA -0.899 52.302 53.050 0.252 0.000 0.712 539 N CB 2.346 41.016 38.487 0.305 0.000 1.880 539 N HN 0.758 nan 8.380 nan 0.000 0.648 543 A N 4.561 127.474 122.820 0.155 0.000 2.274 543 A HA 0.840 5.119 4.320 -0.068 0.000 0.309 543 A C -0.286 177.360 177.584 0.103 0.000 1.226 543 A CA 0.140 52.255 52.037 0.129 0.000 0.853 543 A CB 0.986 20.065 19.000 0.131 0.000 1.146 543 A HN 1.677 nan 8.150 nan 0.000 0.518 544 V N 0.493 120.460 119.914 0.088 0.000 3.158 544 V HA 0.727 4.806 4.120 -0.068 0.000 0.315 544 V C 0.841 176.956 176.094 0.035 0.000 1.148 544 V CA 0.130 62.480 62.300 0.082 0.000 1.042 544 V CB 1.469 33.378 31.823 0.143 0.000 1.101 544 V HN 1.140 nan 8.190 nan 0.000 0.448 545 S N 0.121 115.818 115.700 -0.005 0.000 2.496 545 S HA 0.257 4.686 4.470 -0.068 0.000 0.224 545 S C 0.765 175.336 174.600 -0.048 0.000 0.996 545 S CA 0.477 58.644 58.200 -0.055 0.000 0.927 545 S CB -0.598 62.519 63.200 -0.138 0.000 0.774 545 S HN 2.075 nan 8.310 nan 0.000 0.524 546 S N -1.122 114.550 115.700 -0.048 0.000 2.578 546 S HA 0.465 4.894 4.470 -0.068 0.000 0.272 546 S C 0.499 175.009 174.600 -0.150 0.000 1.145 546 S CA -0.339 57.815 58.200 -0.076 0.000 0.835 546 S CB 0.892 64.054 63.200 -0.063 0.000 1.104 546 S HN -0.039 nan 8.310 nan 0.000 0.458 547 V N 1.747 121.544 119.914 -0.194 0.000 2.250 547 V HA -0.233 3.846 4.120 -0.068 0.000 0.250 547 V C 2.328 178.175 176.094 -0.410 0.000 1.060 547 V CA 2.616 64.670 62.300 -0.410 0.000 1.030 547 V CB -0.969 30.718 31.823 -0.227 0.000 0.643 547 V HN 0.959 nan 8.190 nan 0.000 0.445 548 D N 0.160 120.420 120.400 -0.234 0.000 2.116 548 D HA -0.223 4.376 4.640 -0.068 0.000 0.193 548 D C 2.230 178.406 176.300 -0.207 0.000 0.998 548 D CA 1.843 55.716 54.000 -0.211 0.000 0.836 548 D CB -0.198 40.526 40.800 -0.126 0.000 0.951 548 D HN 0.498 nan 8.370 nan 0.000 0.449 549 A N 1.547 124.283 122.820 -0.140 0.000 1.883 549 A HA -0.141 4.138 4.320 -0.068 0.000 0.217 549 A C 2.422 180.005 177.584 -0.002 0.000 1.186 549 A CA 2.571 54.566 52.037 -0.070 0.000 0.624 549 A CB -0.810 18.214 19.000 0.040 0.000 0.822 549 A HN 0.272 nan 8.150 nan 0.000 0.444 550 A N -0.283 122.496 122.820 -0.069 0.000 1.940 550 A HA -0.185 4.094 4.320 -0.068 0.000 0.219 550 A C 2.101 179.675 177.584 -0.016 0.000 1.176 550 A CA 1.834 53.870 52.037 -0.001 0.000 0.631 550 A CB -0.431 18.411 19.000 -0.263 0.000 0.814 550 A HN 0.590 nan 8.150 nan 0.000 0.446 551 K N -0.381 119.811 120.400 -0.348 0.000 2.097 551 K HA -0.008 4.271 4.320 -0.068 0.000 0.205 551 K C 2.310 178.762 176.600 -0.247 0.000 1.050 551 K CA 1.081 56.947 56.287 -0.702 0.000 0.938 551 K CB -0.293 31.616 32.500 -0.984 0.000 0.718 551 K HN 0.435 nan 8.250 nan 0.000 0.442 552 A N 0.797 123.512 122.820 -0.175 0.000 1.897 552 A HA -0.119 4.160 4.320 -0.068 0.000 0.215 552 A C 1.951 179.492 177.584 -0.072 0.000 1.181 552 A CA 0.995 52.938 52.037 -0.157 0.000 0.620 552 A CB -0.711 18.123 19.000 -0.276 0.000 0.821 552 A HN 0.241 nan 8.150 nan 0.000 0.443 553 Y N -2.159 118.178 120.300 0.060 0.000 2.089 553 Y HA -0.291 4.218 4.550 -0.068 0.000 0.282 553 Y C 2.401 178.524 175.900 0.372 0.000 1.139 553 Y CA 2.068 60.263 58.100 0.158 0.000 1.123 553 Y CB -0.643 37.950 38.460 0.221 0.000 0.980 553 Y HN 0.439 nan 8.280 nan 0.000 0.493 554 Y N 0.174 120.772 120.300 0.497 0.000 2.132 554 Y HA -0.424 4.085 4.550 -0.068 0.000 0.280 554 Y C 2.372 178.537 175.900 0.442 0.000 1.193 554 Y CA 1.667 60.072 58.100 0.508 0.000 1.157 554 Y CB -0.537 38.294 38.460 0.617 0.000 0.966 554 Y HN 0.133 nan 8.280 nan 0.000 0.511 555 A N -1.449 121.664 122.820 0.488 0.000 1.897 555 A HA -0.117 4.162 4.320 -0.068 0.000 0.215 555 A C 2.206 179.874 177.584 0.140 0.000 1.181 555 A CA 1.899 54.138 52.037 0.336 0.000 0.620 555 A CB -1.122 18.060 19.000 0.304 0.000 0.821 555 A HN 0.473 nan 8.150 nan 0.000 0.443 556 T N -0.607 113.990 114.554 0.072 0.000 2.777 556 T HA -0.081 4.228 4.350 -0.068 0.000 0.266 556 T C 1.554 176.216 174.700 -0.064 0.000 1.040 556 T CA 1.414 63.484 62.100 -0.051 0.000 1.141 556 T CB -0.444 68.322 68.868 -0.170 0.000 0.868 556 T HN 0.416 nan 8.240 nan 0.000 0.444 557 F N 1.451 121.392 119.950 -0.014 0.000 2.095 557 F HA -0.083 4.403 4.527 -0.068 0.000 0.298 557 F C 2.595 178.333 175.800 -0.104 0.000 1.104 557 F CA 1.236 59.196 58.000 -0.066 0.000 1.232 557 F CB -0.166 38.770 39.000 -0.106 0.000 0.987 557 F HN -0.001 nan 8.300 nan 0.000 0.475 558 K N 0.252 120.679 120.400 0.045 0.000 2.001 558 K HA -0.287 3.992 4.320 -0.068 0.000 0.214 558 K C 2.325 178.932 176.600 0.012 0.000 1.050 558 K CA 1.984 58.260 56.287 -0.019 0.000 0.934 558 K CB -0.278 32.206 32.500 -0.026 0.000 0.718 558 K HN 0.149 nan 8.250 nan 0.000 0.443 559 R N 0.855 121.364 120.500 0.015 0.000 2.070 559 R HA -0.111 4.188 4.340 -0.068 0.000 0.233 559 R C 2.359 178.643 176.300 -0.027 0.000 1.137 559 R CA 1.429 57.527 56.100 -0.003 0.000 0.945 559 R CB -0.394 29.903 30.300 -0.004 0.000 0.845 559 R HN 0.182 nan 8.270 nan 0.000 0.430 560 L N 0.620 121.817 121.223 -0.042 0.000 2.191 560 L HA -0.186 4.113 4.340 -0.068 0.000 0.212 560 L C 2.586 179.403 176.870 -0.087 0.000 1.103 560 L CA 1.347 56.143 54.840 -0.074 0.000 0.769 560 L CB -0.366 41.633 42.059 -0.100 0.000 0.908 560 L HN 0.441 nan 8.230 nan 0.000 0.438 561 Q N -0.606 119.180 119.800 -0.022 0.000 2.187 561 Q HA -0.125 4.174 4.340 -0.068 0.000 0.199 561 Q C 2.013 177.998 176.000 -0.025 0.000 0.957 561 Q CA 0.705 56.510 55.803 0.004 0.000 0.857 561 Q CB 0.122 28.949 28.738 0.149 0.000 0.929 561 Q HN 0.507 nan 8.270 nan 0.000 0.453 562 E N 1.282 121.472 120.200 -0.018 0.000 2.085 562 E HA -0.206 4.103 4.350 -0.068 0.000 0.194 562 E C 1.680 178.246 176.600 -0.057 0.000 0.994 562 E CA 1.025 57.413 56.400 -0.020 0.000 0.801 562 E CB -0.048 29.646 29.700 -0.011 0.000 0.743 562 E HN 0.461 nan 8.360 nan 0.000 0.453 563 E N 0.755 120.903 120.200 -0.087 0.000 2.051 563 E HA -0.135 4.174 4.350 -0.068 0.000 0.192 563 E C 2.104 178.608 176.600 -0.161 0.000 0.991 563 E CA 1.014 57.352 56.400 -0.103 0.000 0.799 563 E CB -0.103 29.538 29.700 -0.099 0.000 0.748 563 E HN 0.228 nan 8.360 nan 0.000 0.449 564 A N 1.372 124.014 122.820 -0.297 0.000 1.902 564 A HA -0.141 4.138 4.320 -0.068 0.000 0.217 564 A C 2.366 179.773 177.584 -0.295 0.000 1.181 564 A CA 1.664 53.415 52.037 -0.476 0.000 0.623 564 A CB -0.698 17.592 19.000 -1.183 0.000 0.818 564 A HN 0.309 nan 8.150 nan 0.000 0.443 565 A N 0.088 122.809 122.820 -0.165 0.000 2.186 565 A HA -0.179 4.100 4.320 -0.068 0.000 0.219 565 A C 1.653 179.245 177.584 0.014 0.000 1.159 565 A CA 1.724 53.782 52.037 0.034 0.000 0.680 565 A CB -0.512 18.538 19.000 0.082 0.000 0.787 565 A HN 0.642 nan 8.150 nan 0.000 0.467 566 N N -0.812 117.872 118.700 -0.027 0.000 2.414 566 N HA 0.032 4.731 4.740 -0.068 0.000 0.177 566 N C 1.374 176.874 175.510 -0.016 0.000 1.062 566 N CA 1.009 54.050 53.050 -0.016 0.000 0.890 566 N CB -0.082 38.391 38.487 -0.023 0.000 1.070 566 N HN 0.523 nan 8.380 nan 0.000 0.454 567 K N 0.599 120.979 120.400 -0.034 0.000 2.102 567 K HA 0.160 4.439 4.320 -0.068 0.000 0.206 567 K C 1.213 177.807 176.600 -0.011 0.000 1.031 567 K CA 0.133 56.402 56.287 -0.030 0.000 0.962 567 K CB -0.154 32.316 32.500 -0.051 0.000 0.811 567 K HN -0.073 nan 8.250 nan 0.000 0.453 568 S N -0.906 114.789 115.700 -0.008 0.000 2.617 568 S HA 0.316 4.745 4.470 -0.068 0.000 0.255 568 S C 0.440 175.069 174.600 0.049 0.000 1.318 568 S CA 0.332 58.552 58.200 0.034 0.000 0.978 568 S CB 0.938 64.183 63.200 0.075 0.000 0.961 568 S HN 0.370 nan 8.310 nan 0.000 0.582 569 A N -0.048 122.817 122.820 0.075 0.000 2.487 569 A HA 0.196 4.475 4.320 -0.068 0.000 0.192 569 A C 0.660 178.284 177.584 0.067 0.000 1.709 569 A CA 0.476 52.554 52.037 0.069 0.000 1.105 569 A CB -0.709 18.313 19.000 0.038 0.000 1.081 569 A HN 0.959 nan 8.150 nan 0.000 0.445 570 T N -1.711 112.886 114.554 0.070 0.000 3.256 570 T HA 0.377 4.686 4.350 -0.068 0.000 0.237 570 T C -0.056 174.710 174.700 0.110 0.000 0.908 570 T CA -0.383 61.757 62.100 0.065 0.000 0.966 570 T CB -1.146 67.749 68.868 0.045 0.000 1.134 570 T HN 0.331 nan 8.240 nan 0.000 0.573 571 Y N 2.351 122.652 120.300 0.002 0.000 2.436 571 Y HA 0.336 4.845 4.550 -0.068 0.000 0.336 571 Y C 0.097 175.995 175.900 -0.004 0.000 1.049 571 Y CA -0.804 57.297 58.100 0.000 0.000 1.294 571 Y CB 0.546 39.002 38.460 -0.006 0.000 1.179 571 Y HN 0.180 nan 8.280 nan 0.000 0.520 572 K N 9.167 129.268 120.400 -0.498 0.000 2.266 572 K HA 0.272 4.551 4.320 -0.068 0.000 0.274 572 K C -2.529 173.591 176.600 -0.801 0.000 1.090 572 K CA -1.857 54.150 56.287 -0.466 0.000 0.925 572 K CB 0.433 32.796 32.500 -0.228 0.000 1.225 572 K HN 0.473 nan 8.250 nan 0.000 0.458 573 P HA 0.053 nan 4.420 nan 0.000 0.271 573 P C -0.507 176.584 177.300 -0.349 0.000 1.218 573 P CA -0.280 62.495 63.100 -0.541 0.000 0.780 573 P CB 0.756 32.344 31.700 -0.187 0.000 0.901 574 L N 2.417 123.462 121.223 -0.297 0.000 2.371 574 L HA 0.351 4.650 4.340 -0.068 0.000 0.272 574 L C 1.286 177.981 176.870 -0.291 0.000 1.124 574 L CA -0.631 54.000 54.840 -0.350 0.000 0.816 574 L CB 0.205 41.941 42.059 -0.539 0.000 1.129 574 L HN 0.213 nan 8.230 nan 0.000 0.448 575 R N 3.228 123.574 120.500 -0.256 0.000 2.210 575 R HA 0.482 4.781 4.340 -0.068 0.000 0.338 575 R C -0.745 175.467 176.300 -0.146 0.000 1.062 575 R CA -0.253 55.724 56.100 -0.205 0.000 0.902 575 R CB 0.308 30.523 30.300 -0.141 0.000 1.050 575 R HN 0.504 nan 8.270 nan 0.000 0.461 576 I N 2.183 122.667 120.570 -0.142 0.000 2.441 576 I HA 0.495 4.624 4.170 -0.068 0.000 0.295 576 I C 0.082 176.290 176.117 0.153 0.000 0.994 576 I CA -0.459 60.769 61.300 -0.120 0.000 1.144 576 I CB 2.022 39.811 38.000 -0.352 0.000 1.314 576 I HN 0.524 nan 8.210 nan 0.000 0.445 577 A N 3.654 126.619 122.820 0.242 0.000 2.532 577 A HA 0.914 5.193 4.320 -0.068 0.000 0.290 577 A C -0.761 177.047 177.584 0.373 0.000 1.143 577 A CA -0.573 51.721 52.037 0.428 0.000 0.728 577 A CB 2.207 21.481 19.000 0.457 0.000 1.317 577 A HN 0.536 nan 8.150 nan 0.000 0.414 578 T N -0.158 114.617 114.554 0.367 0.000 2.894 578 T HA 0.686 4.995 4.350 -0.068 0.000 0.309 578 T C -1.652 173.218 174.700 0.283 0.000 1.208 578 T CA -0.269 62.049 62.100 0.362 0.000 1.016 578 T CB 0.884 70.058 68.868 0.510 0.000 1.192 578 T HN 1.056 nan 8.240 nan 0.000 0.491 579 I N 4.162 124.920 120.570 0.314 0.000 2.775 579 I HA 0.771 4.900 4.170 -0.068 0.000 0.295 579 I C -1.875 174.441 176.117 0.330 0.000 1.287 579 I CA -1.038 60.356 61.300 0.156 0.000 1.029 579 I CB 1.575 39.614 38.000 0.066 0.000 1.282 579 I HN 0.844 nan 8.210 nan 0.000 0.426 580 F N 3.135 123.248 119.950 0.273 0.000 2.842 580 F HA 0.613 5.099 4.527 -0.069 0.000 0.319 580 F C -0.379 175.543 175.800 0.202 0.000 1.159 580 F CA 0.007 58.126 58.000 0.199 0.000 0.902 580 F CB 0.458 39.546 39.000 0.146 0.000 1.311 580 F HN 0.382 nan 8.300 nan 0.000 0.453 581 S N 0.443 116.315 115.700 0.288 0.000 4.640 581 S HA 0.678 5.107 4.470 -0.068 0.000 0.157 581 S C -0.987 173.793 174.600 0.300 0.000 0.963 581 S CA 0.102 58.381 58.200 0.132 0.000 1.235 581 S CB 0.949 64.037 63.200 -0.187 0.000 1.848 581 S HN 1.339 nan 8.310 nan 0.000 0.751 582 F N 1.417 121.373 119.950 0.010 0.000 2.656 582 F HA 0.697 5.183 4.527 -0.068 0.000 0.326 582 F C -0.728 175.069 175.800 -0.005 0.000 1.109 582 F CA -0.650 57.353 58.000 0.006 0.000 1.086 582 F CB 0.917 39.906 39.000 -0.018 0.000 1.324 582 F HN 0.685 nan 8.300 nan 0.000 0.511 583 A N 3.853 126.177 122.820 -0.827 0.000 2.246 583 A HA 1.030 5.309 4.320 -0.068 0.000 0.291 583 A C -0.107 176.877 177.584 -1.000 0.000 1.103 583 A CA 0.287 51.914 52.037 -0.683 0.000 0.844 583 A CB 0.813 19.578 19.000 -0.392 0.000 1.136 583 A HN 2.409 nan 8.150 nan 0.000 0.500 592 G N 0.592 109.406 108.800 0.022 0.000 2.725 592 G HA2 0.047 3.966 3.960 -0.068 0.000 0.100 592 G HA3 0.047 3.966 3.960 -0.068 0.000 0.100 592 G C -1.099 173.539 174.900 -0.437 0.000 2.315 592 G CA 0.218 45.138 45.100 -0.300 0.000 1.153 592 G HN 0.629 nan 8.290 nan 0.000 0.325 593 E N 0.675 120.794 120.200 -0.135 0.000 2.187 593 E HA 0.710 5.019 4.350 -0.068 0.000 0.268 593 E C -0.629 175.966 176.600 -0.008 0.000 0.896 593 E CA -0.754 55.658 56.400 0.020 0.000 0.766 593 E CB 1.321 31.101 29.700 0.132 0.000 1.142 593 E HN 0.375 nan 8.360 nan 0.000 0.408 594 I N 3.218 123.801 120.570 0.021 0.000 2.396 594 I HA 0.112 4.241 4.170 -0.068 0.000 0.289 594 I C 0.286 176.414 176.117 0.019 0.000 1.056 594 I CA -0.108 61.202 61.300 0.016 0.000 1.365 594 I CB 1.084 39.106 38.000 0.036 0.000 1.407 594 I HN 0.422 nan 8.210 nan 0.000 0.509 595 S N 4.550 120.247 115.700 -0.005 0.000 2.593 595 S HA -0.107 4.322 4.470 -0.068 0.000 0.300 595 S C 0.050 174.639 174.600 -0.018 0.000 1.267 595 S CA -0.063 58.121 58.200 -0.026 0.000 1.065 595 S CB -0.119 63.044 63.200 -0.061 0.000 0.807 595 S HN 0.509 nan 8.310 nan 0.000 0.499 596 D N 2.776 123.165 120.400 -0.020 0.000 2.389 596 D HA 0.132 4.731 4.640 -0.068 0.000 0.247 596 D C -0.083 176.195 176.300 -0.036 0.000 1.128 596 D CA 0.215 54.212 54.000 -0.005 0.000 0.884 596 D CB 0.534 41.340 40.800 0.011 0.000 1.194 596 D HN 0.483 nan 8.370 nan 0.000 0.441 597 E N 1.426 121.610 120.200 -0.027 0.000 2.183 597 E HA 0.270 4.579 4.350 -0.068 0.000 0.271 597 E C -0.305 176.250 176.600 -0.075 0.000 0.919 597 E CA -0.788 55.578 56.400 -0.057 0.000 0.781 597 E CB 1.775 31.445 29.700 -0.050 0.000 1.140 597 E HN 0.344 nan 8.360 nan 0.000 0.402 598 T N 0.935 115.465 114.554 -0.039 0.000 2.828 598 T HA 0.155 4.464 4.350 -0.068 0.000 0.290 598 T C 0.151 174.769 174.700 -0.137 0.000 1.019 598 T CA 0.010 62.120 62.100 0.017 0.000 1.031 598 T CB 0.267 69.178 68.868 0.071 0.000 1.001 598 T HN 0.379 nan 8.240 nan 0.000 0.531 599 F N 0.259 120.176 119.950 -0.056 0.000 2.678 599 F HA 0.308 4.794 4.527 -0.068 0.000 0.305 599 F C 0.968 176.669 175.800 -0.166 0.000 1.090 599 F CA -0.535 57.421 58.000 -0.073 0.000 1.272 599 F CB 0.468 39.478 39.000 0.016 0.000 1.060 599 F HN 0.442 nan 8.300 nan 0.000 0.576 600 D N 0.509 120.904 120.400 -0.008 0.000 2.435 600 D HA 0.032 4.631 4.640 -0.068 0.000 0.230 600 D C 1.397 177.596 176.300 -0.167 0.000 1.215 600 D CA 0.224 54.191 54.000 -0.054 0.000 0.947 600 D CB 0.673 41.472 40.800 -0.002 0.000 1.048 600 D HN 0.198 nan 8.370 nan 0.000 0.512 601 T N -0.558 113.841 114.554 -0.258 0.000 2.929 601 T HA -0.188 4.121 4.350 -0.068 0.000 0.271 601 T C 1.697 176.285 174.700 -0.186 0.000 1.085 601 T CA 1.004 62.907 62.100 -0.328 0.000 1.125 601 T CB -0.255 68.423 68.868 -0.317 0.000 0.874 601 T HN 0.296 nan 8.240 nan 0.000 0.494 602 S N 0.744 116.367 115.700 -0.128 0.000 2.720 602 S HA 0.547 4.976 4.470 -0.068 0.000 0.222 602 S C 0.812 175.329 174.600 -0.138 0.000 0.958 602 S CA -0.333 57.804 58.200 -0.106 0.000 0.943 602 S CB -0.612 62.548 63.200 -0.068 0.000 0.779 602 S HN 0.767 nan 8.310 nan 0.000 0.526 606 S N 1.462 117.150 115.700 -0.019 0.000 2.380 606 S HA -0.296 4.133 4.470 -0.068 0.000 0.229 606 S C 2.004 176.627 174.600 0.037 0.000 1.043 606 S CA 2.470 60.671 58.200 0.001 0.000 1.038 606 S CB -0.778 62.422 63.200 0.000 0.000 0.872 606 S HN 0.717 nan 8.310 nan 0.000 0.456 607 S N 2.747 118.476 115.700 0.048 0.000 2.357 607 S HA 0.130 4.559 4.470 -0.068 0.000 0.221 607 S C 2.185 176.870 174.600 0.143 0.000 1.031 607 S CA 1.042 59.292 58.200 0.084 0.000 0.982 607 S CB -1.116 62.120 63.200 0.060 0.000 0.853 607 S HN 0.895 nan 8.310 nan 0.000 0.458 608 A N 2.525 125.427 122.820 0.136 0.000 1.883 608 A HA -0.142 4.137 4.320 -0.068 0.000 0.217 608 A C 2.183 179.932 177.584 0.274 0.000 1.186 608 A CA 2.304 54.487 52.037 0.243 0.000 0.624 608 A CB -1.029 18.108 19.000 0.228 0.000 0.822 608 A HN 0.608 nan 8.150 nan 0.000 0.444 609 K N 0.219 120.703 120.400 0.141 0.000 2.044 609 K HA -0.185 4.094 4.320 -0.068 0.000 0.210 609 K C 1.795 178.444 176.600 0.082 0.000 1.049 609 K CA 2.301 58.632 56.287 0.072 0.000 0.927 609 K CB -0.421 32.087 32.500 0.014 0.000 0.713 609 K HN 0.621 nan 8.250 nan 0.000 0.443 610 E N -1.275 118.987 120.200 0.105 0.000 2.152 610 E HA -0.108 4.201 4.350 -0.068 0.000 0.192 610 E C 1.756 178.426 176.600 0.117 0.000 0.983 610 E CA 0.932 57.384 56.400 0.087 0.000 0.818 610 E CB -0.191 29.559 29.700 0.083 0.000 0.758 610 E HN 0.335 nan 8.360 nan 0.000 0.467 611 F N 0.872 120.860 119.950 0.063 0.000 2.113 611 F HA -0.156 4.330 4.527 -0.069 0.000 0.297 611 F C 2.029 177.844 175.800 0.024 0.000 1.103 611 F CA 0.803 58.849 58.000 0.077 0.000 1.248 611 F CB -0.108 38.982 39.000 0.149 0.000 0.999 611 F HN 0.017 nan 8.300 nan 0.000 0.475 612 L N 0.823 122.175 121.223 0.215 0.000 2.042 612 L HA -0.238 4.061 4.340 -0.068 0.000 0.210 612 L C 1.844 178.617 176.870 -0.162 0.000 1.076 612 L CA 2.294 57.091 54.840 -0.071 0.000 0.749 612 L CB -1.249 40.695 42.059 -0.192 0.000 0.893 612 L HN 0.196 nan 8.230 nan 0.000 0.432 613 D N -0.674 119.674 120.400 -0.088 0.000 2.126 613 D HA -0.257 4.342 4.640 -0.068 0.000 0.190 613 D C 2.141 178.359 176.300 -0.138 0.000 1.001 613 D CA 1.906 55.850 54.000 -0.093 0.000 0.841 613 D CB -0.127 40.650 40.800 -0.039 0.000 0.949 613 D HN 0.502 nan 8.370 nan 0.000 0.446 614 A N 0.091 122.801 122.820 -0.182 0.000 1.930 614 A HA 0.049 4.328 4.320 -0.068 0.000 0.217 614 A C 2.255 179.690 177.584 -0.249 0.000 1.175 614 A CA 2.022 53.935 52.037 -0.207 0.000 0.627 614 A CB -0.875 17.976 19.000 -0.249 0.000 0.815 614 A HN 0.308 nan 8.150 nan 0.000 0.443 615 A N 0.117 122.692 122.820 -0.408 0.000 1.877 615 A HA -0.087 4.192 4.320 -0.068 0.000 0.216 615 A C 2.102 179.592 177.584 -0.157 0.000 1.186 615 A CA 1.519 53.327 52.037 -0.381 0.000 0.620 615 A CB -0.631 18.004 19.000 -0.607 0.000 0.822 615 A HN 0.473 nan 8.150 nan 0.000 0.443 616 I N -0.624 119.790 120.570 -0.260 0.000 2.264 616 I HA -0.309 3.820 4.170 -0.068 0.000 0.248 616 I C 2.753 178.848 176.117 -0.038 0.000 1.111 616 I CA 1.470 62.589 61.300 -0.302 0.000 1.382 616 I CB -0.307 37.412 38.000 -0.469 0.000 1.060 616 I HN 0.318 nan 8.210 nan 0.000 0.418 617 R N 0.524 121.000 120.500 -0.039 0.000 2.091 617 R HA -0.189 4.110 4.340 -0.068 0.000 0.238 617 R C 2.166 178.508 176.300 0.070 0.000 1.136 617 R CA 1.513 57.623 56.100 0.015 0.000 0.959 617 R CB -0.377 29.916 30.300 -0.013 0.000 0.856 617 R HN 0.444 nan 8.270 nan 0.000 0.437 618 E N -0.006 120.241 120.200 0.078 0.000 2.017 618 E HA -0.248 4.061 4.350 -0.068 0.000 0.193 618 E C 1.786 178.508 176.600 0.203 0.000 0.997 618 E CA 1.422 57.895 56.400 0.122 0.000 0.804 618 E CB -0.274 29.514 29.700 0.147 0.000 0.757 618 E HN 0.329 nan 8.360 nan 0.000 0.448 619 Y N 1.884 122.275 120.300 0.153 0.000 2.139 619 Y HA -0.340 4.169 4.550 -0.068 0.000 0.282 619 Y C 1.980 178.065 175.900 0.309 0.000 1.179 619 Y CA 1.728 60.009 58.100 0.302 0.000 1.161 619 Y CB -0.016 38.656 38.460 0.353 0.000 0.970 619 Y HN 0.041 nan 8.280 nan 0.000 0.511 620 N N -0.595 118.347 118.700 0.405 0.000 2.142 620 N HA -0.150 4.549 4.740 -0.068 0.000 0.186 620 N C 2.026 177.606 175.510 0.117 0.000 1.023 620 N CA 1.503 54.706 53.050 0.254 0.000 0.852 620 N CB -0.460 38.105 38.487 0.130 0.000 0.998 620 N HN 0.277 nan 8.380 nan 0.000 0.424 621 S N -0.384 115.367 115.700 0.086 0.000 2.355 621 S HA -0.153 4.276 4.470 -0.068 0.000 0.222 621 S C 1.748 176.336 174.600 -0.020 0.000 1.031 621 S CA 1.041 59.258 58.200 0.028 0.000 0.993 621 S CB -0.332 62.887 63.200 0.031 0.000 0.859 621 S HN 0.500 nan 8.310 nan 0.000 0.453 622 H N 0.161 119.134 119.070 -0.162 0.000 2.353 622 H HA 0.042 4.557 4.556 -0.068 0.000 0.300 622 H C 1.085 176.139 175.328 -0.457 0.000 1.090 622 H CA 1.605 57.423 56.048 -0.384 0.000 1.327 622 H CB -0.231 29.165 29.762 -0.610 0.000 1.383 622 H HN 0.440 nan 8.280 nan 0.000 0.508 623 F N 0.191 120.009 119.950 -0.221 0.000 2.664 623 F HA 0.197 4.684 4.527 -0.068 0.000 0.303 623 F C 0.469 176.180 175.800 -0.149 0.000 1.092 623 F CA -0.342 57.498 58.000 -0.266 0.000 1.305 623 F CB 0.576 39.411 39.000 -0.275 0.000 1.054 623 F HN -0.093 nan 8.300 nan 0.000 0.565 624 K N 0.585 120.990 120.400 0.009 0.000 3.069 624 K HA -0.190 4.089 4.320 -0.068 0.000 0.267 624 K C 0.216 176.811 176.600 -0.008 0.000 1.082 624 K CA 1.050 57.333 56.287 -0.007 0.000 0.782 624 K CB -2.805 29.681 32.500 -0.023 0.000 1.230 624 K HN 0.490 nan 8.250 nan 0.000 0.488 625 T N -2.764 111.794 114.554 0.007 0.000 2.923 625 T HA 0.600 4.909 4.350 -0.068 0.000 0.281 625 T C 0.342 174.873 174.700 -0.282 0.000 0.995 625 T CA -0.752 61.234 62.100 -0.190 0.000 0.985 625 T CB 1.828 70.555 68.868 -0.235 0.000 1.114 625 T HN 0.060 nan 8.240 nan 0.000 0.548 626 N N -0.447 117.909 118.700 -0.574 0.000 2.622 626 N HA 0.354 5.053 4.740 -0.068 0.000 0.304 626 N C -1.477 173.839 175.510 -0.323 0.000 1.844 626 N CA -0.572 52.275 53.050 -0.338 0.000 0.886 626 N CB -0.079 38.302 38.487 -0.177 0.000 1.366 626 N HN 0.556 nan 8.380 nan 0.000 0.491 627 F N 0.008 120.007 119.950 0.082 0.000 2.403 627 F HA 0.461 4.947 4.527 -0.068 0.000 0.320 627 F C 1.561 177.363 175.800 0.003 0.000 1.176 627 F CA -0.493 57.539 58.000 0.052 0.000 1.206 627 F CB 0.901 39.934 39.000 0.055 0.000 1.235 627 F HN 0.056 nan 8.300 nan 0.000 0.565 628 S N -1.259 114.574 115.700 0.222 0.000 2.900 628 S HA 0.470 4.899 4.470 -0.068 0.000 0.320 628 S C 0.183 174.857 174.600 0.122 0.000 1.130 628 S CA 0.008 58.275 58.200 0.112 0.000 0.863 628 S CB 1.275 64.527 63.200 0.086 0.000 1.295 628 S HN 0.671 nan 8.310 nan 0.000 0.596 629 T N -1.741 112.866 114.554 0.087 0.000 3.044 629 T HA 0.216 4.525 4.350 -0.068 0.000 0.260 629 T C 0.122 174.872 174.700 0.083 0.000 1.019 629 T CA 0.175 62.339 62.100 0.107 0.000 0.921 629 T CB -0.939 67.951 68.868 0.035 0.000 1.053 629 T HN 0.751 nan 8.240 nan 0.000 0.533 630 D N 1.727 122.176 120.400 0.083 0.000 2.346 630 D HA 0.086 4.685 4.640 -0.068 0.000 0.236 630 D C 1.075 177.449 176.300 0.124 0.000 1.259 630 D CA -0.139 53.906 54.000 0.075 0.000 0.898 630 D CB 0.472 41.312 40.800 0.068 0.000 1.178 630 D HN 0.020 nan 8.370 nan 0.000 0.457 631 S N 0.042 115.802 115.700 0.099 0.000 2.383 631 S HA -0.193 4.236 4.470 -0.068 0.000 0.227 631 S C 1.584 176.306 174.600 0.203 0.000 1.026 631 S CA 1.262 59.544 58.200 0.136 0.000 0.981 631 S CB -0.591 62.662 63.200 0.088 0.000 0.818 631 S HN 0.727 nan 8.310 nan 0.000 0.472 632 N N 1.185 119.979 118.700 0.157 0.000 2.142 632 N HA -0.056 4.643 4.740 -0.068 0.000 0.186 632 N C 1.827 177.458 175.510 0.201 0.000 1.023 632 N CA 1.495 54.639 53.050 0.158 0.000 0.852 632 N CB -0.634 37.927 38.487 0.123 0.000 0.998 632 N HN 0.309 nan 8.380 nan 0.000 0.424 633 G N -0.542 108.388 108.800 0.216 0.000 2.446 633 G HA2 -0.280 3.639 3.960 -0.068 0.000 0.217 633 G HA3 -0.280 3.639 3.960 -0.068 0.000 0.217 633 G C 1.387 176.444 174.900 0.262 0.000 1.168 633 G CA 0.754 46.014 45.100 0.266 0.000 0.771 633 G HN 0.426 nan 8.290 nan 0.000 0.551 634 F N 1.145 121.168 119.950 0.122 0.000 2.113 634 F HA -0.070 4.415 4.527 -0.069 0.000 0.297 634 F C 2.849 178.764 175.800 0.191 0.000 1.103 634 F CA 1.971 60.053 58.000 0.138 0.000 1.248 634 F CB -0.162 38.895 39.000 0.095 0.000 0.999 634 F HN 0.224 nan 8.300 nan 0.000 0.475 635 Q N 0.987 120.996 119.800 0.349 0.000 2.112 635 Q HA -0.239 4.060 4.340 -0.068 0.000 0.206 635 Q C 1.845 177.902 176.000 0.094 0.000 0.987 635 Q CA 2.219 58.162 55.803 0.233 0.000 0.858 635 Q CB -0.660 28.181 28.738 0.172 0.000 0.905 635 Q HN 0.374 nan 8.270 nan 0.000 0.420 636 N N -1.078 117.648 118.700 0.043 0.000 2.216 636 N HA -0.133 4.566 4.740 -0.068 0.000 0.183 636 N C 1.512 176.687 175.510 -0.558 0.000 1.017 636 N CA 1.137 54.139 53.050 -0.081 0.000 0.861 636 N CB -0.350 38.218 38.487 0.136 0.000 0.986 636 N HN 0.453 nan 8.380 nan 0.000 0.428 637 Y N 0.421 120.203 120.300 -0.863 0.000 2.145 637 Y HA -0.322 4.187 4.550 -0.068 0.000 0.286 637 Y C 2.549 178.076 175.900 -0.622 0.000 1.145 637 Y CA 1.425 58.858 58.100 -1.112 0.000 1.148 637 Y CB -0.432 37.591 38.460 -0.728 0.000 0.981 637 Y HN 0.020 nan 8.280 nan 0.000 0.507 638 Y N 1.144 121.054 120.300 -0.650 0.000 2.081 638 Y HA -0.352 4.157 4.550 -0.068 0.000 0.280 638 Y C 2.773 178.547 175.900 -0.210 0.000 1.163 638 Y CA 2.335 60.169 58.100 -0.443 0.000 1.135 638 Y CB -0.573 37.779 38.460 -0.180 0.000 0.970 638 Y HN 0.058 nan 8.280 nan 0.000 0.498 639 R N -0.030 120.481 120.500 0.018 0.000 2.080 639 R HA -0.218 4.081 4.340 -0.068 0.000 0.236 639 R C 2.053 178.317 176.300 -0.061 0.000 1.137 639 R CA 2.167 58.318 56.100 0.084 0.000 0.943 639 R CB -0.609 29.785 30.300 0.157 0.000 0.846 639 R HN 0.498 nan 8.270 nan 0.000 0.431 640 D N -0.095 120.175 120.400 -0.216 0.000 2.117 640 D HA -0.145 4.454 4.640 -0.068 0.000 0.198 640 D C 1.975 178.108 176.300 -0.279 0.000 0.982 640 D CA 0.730 54.621 54.000 -0.181 0.000 0.828 640 D CB 0.027 40.786 40.800 -0.069 0.000 0.967 640 D HN 0.147 nan 8.370 nan 0.000 0.464 641 L N 0.111 121.035 121.223 -0.500 0.000 1.990 641 L HA -0.241 4.058 4.340 -0.068 0.000 0.213 641 L C 2.408 178.928 176.870 -0.582 0.000 1.072 641 L CA 1.609 56.101 54.840 -0.579 0.000 0.755 641 L CB -0.585 40.921 42.059 -0.923 0.000 0.889 641 L HN 0.160 nan 8.230 nan 0.000 0.432 642 A N -0.780 121.642 122.820 -0.663 0.000 1.892 642 A HA -0.346 3.933 4.320 -0.068 0.000 0.218 642 A C 2.167 179.658 177.584 -0.155 0.000 1.188 642 A CA 2.213 53.910 52.037 -0.566 0.000 0.631 642 A CB -0.753 18.124 19.000 -0.204 0.000 0.822 642 A HN 0.614 nan 8.150 nan 0.000 0.447 643 Q N -0.789 118.893 119.800 -0.196 0.000 2.084 643 Q HA -0.165 4.134 4.340 -0.068 0.000 0.202 643 Q C 2.224 178.099 176.000 -0.208 0.000 0.978 643 Q CA 1.635 57.270 55.803 -0.279 0.000 0.844 643 Q CB -0.078 28.286 28.738 -0.623 0.000 0.898 643 Q HN 0.663 nan 8.270 nan 0.000 0.426 644 R N -0.724 119.639 120.500 -0.228 0.000 2.240 644 R HA 0.008 4.307 4.340 -0.068 0.000 0.203 644 R C 2.105 178.342 176.300 -0.106 0.000 1.011 644 R CA 0.602 56.581 56.100 -0.202 0.000 1.007 644 R CB 0.301 30.400 30.300 -0.335 0.000 0.911 644 R HN 0.166 nan 8.270 nan 0.000 0.468 645 V N 1.108 120.957 119.914 -0.109 0.000 2.407 645 V HA -0.184 3.895 4.120 -0.068 0.000 0.245 645 V C 2.346 178.504 176.094 0.106 0.000 1.041 645 V CA 1.413 63.709 62.300 -0.008 0.000 1.040 645 V CB -0.366 31.388 31.823 -0.116 0.000 0.671 645 V HN 0.232 nan 8.190 nan 0.000 0.455 646 K N 1.507 121.993 120.400 0.143 0.000 2.044 646 K HA -0.237 4.042 4.320 -0.068 0.000 0.210 646 K C 1.676 178.283 176.600 0.011 0.000 1.049 646 K CA 2.212 58.529 56.287 0.050 0.000 0.927 646 K CB -0.315 32.194 32.500 0.016 0.000 0.713 646 K HN 0.798 nan 8.250 nan 0.000 0.443 647 N N -0.295 118.400 118.700 -0.009 0.000 2.322 647 N HA -0.049 4.650 4.740 -0.068 0.000 0.194 647 N C -0.446 175.075 175.510 0.018 0.000 1.126 647 N CA 0.035 53.082 53.050 -0.005 0.000 0.845 647 N CB 0.347 38.815 38.487 -0.033 0.000 0.976 647 N HN 0.188 nan 8.380 nan 0.000 0.475 648 Q N -0.962 118.860 119.800 0.036 0.000 2.416 648 Q HA -0.210 4.089 4.340 -0.068 0.000 0.235 648 Q C -0.330 175.719 176.000 0.082 0.000 0.773 648 Q CA 1.031 56.876 55.803 0.070 0.000 1.286 648 Q CB -1.555 27.228 28.738 0.075 0.000 1.556 648 Q HN 0.442 nan 8.270 nan 0.000 0.650 649 D N 0.391 120.827 120.400 0.060 0.000 2.182 649 D HA -0.025 4.574 4.640 -0.068 0.000 0.201 649 D C 0.574 177.006 176.300 0.221 0.000 0.986 649 D CA 1.146 55.225 54.000 0.132 0.000 0.847 649 D CB 0.150 40.947 40.800 -0.005 0.000 0.942 649 D HN 0.398 nan 8.370 nan 0.000 0.467 650 I N 0.849 121.497 120.570 0.130 0.000 2.359 650 I HA 0.055 4.184 4.170 -0.068 0.000 0.294 650 I C 0.974 177.155 176.117 0.106 0.000 0.987 650 I CA -0.480 60.905 61.300 0.142 0.000 1.225 650 I CB 1.936 40.002 38.000 0.111 0.000 1.366 650 I HN -0.245 nan 8.210 nan 0.000 0.466 651 D N 4.812 125.241 120.400 0.048 0.000 2.110 651 D HA 0.056 4.655 4.640 -0.068 0.000 0.202 651 D C 0.257 176.639 176.300 0.137 0.000 0.975 651 D CA 1.380 55.404 54.000 0.040 0.000 0.839 651 D CB 0.464 41.095 40.800 -0.282 0.000 0.996 651 D HN 0.179 nan 8.370 nan 0.000 0.464 652 L N 1.312 122.529 121.223 -0.009 0.000 2.406 652 L HA 0.320 4.619 4.340 -0.068 0.000 0.272 652 L C -1.578 175.314 176.870 0.036 0.000 0.980 652 L CA -0.783 54.094 54.840 0.063 0.000 0.831 652 L CB 2.242 44.216 42.059 -0.142 0.000 1.253 652 L HN -0.093 nan 8.230 nan 0.000 0.406 653 L N 6.239 127.515 121.223 0.089 0.000 2.272 653 L HA 0.528 4.827 4.340 -0.068 0.000 0.289 653 L C -0.603 176.335 176.870 0.114 0.000 1.032 653 L CA 0.067 54.949 54.840 0.069 0.000 0.810 653 L CB 1.185 43.234 42.059 -0.017 0.000 1.205 653 L HN 0.420 nan 8.230 nan 0.000 0.422 654 I N 5.815 126.481 120.570 0.159 0.000 2.336 654 I HA 0.514 4.643 4.170 -0.068 0.000 0.292 654 I C -0.646 175.625 176.117 0.257 0.000 0.991 654 I CA -0.664 60.759 61.300 0.205 0.000 1.227 654 I CB 1.660 39.829 38.000 0.281 0.000 1.366 654 I HN 0.327 nan 8.210 nan 0.000 0.466 655 V N 6.526 126.574 119.914 0.222 0.000 2.932 655 V HA 0.270 4.349 4.120 -0.068 0.000 0.307 655 V C 0.287 176.489 176.094 0.180 0.000 1.147 655 V CA -0.384 62.057 62.300 0.236 0.000 0.951 655 V CB 2.777 34.729 31.823 0.214 0.000 1.031 655 V HN 0.551 nan 8.190 nan 0.000 0.426 656 V N 3.075 123.094 119.914 0.175 0.000 2.465 656 V HA 0.428 4.507 4.120 -0.068 0.000 0.230 656 V C 1.135 177.284 176.094 0.091 0.000 1.084 656 V CA 1.472 63.831 62.300 0.098 0.000 1.092 656 V CB -0.134 31.727 31.823 0.064 0.000 0.730 656 V HN 0.888 nan 8.190 nan 0.000 0.491 660 L N -0.050 121.322 121.223 0.249 0.000 2.556 660 L HA 0.104 4.403 4.340 -0.068 0.000 0.226 660 L C 1.894 178.891 176.870 0.211 0.000 1.089 660 L CA 1.382 56.355 54.840 0.222 0.000 0.864 660 L CB 0.297 42.450 42.059 0.157 0.000 1.067 660 L HN 0.348 nan 8.230 nan 0.000 0.477 661 T N -5.817 108.864 114.554 0.210 0.000 2.987 661 T HA 0.175 4.484 4.350 -0.068 0.000 0.248 661 T C 1.409 176.228 174.700 0.197 0.000 0.997 661 T CA 0.631 62.837 62.100 0.177 0.000 1.013 661 T CB 0.627 69.580 68.868 0.140 0.000 1.077 661 T HN 0.163 nan 8.240 nan 0.000 0.483 662 G N 0.251 109.200 108.800 0.248 0.000 2.958 662 G HA2 0.322 4.241 3.960 -0.068 0.000 0.225 662 G HA3 0.322 4.241 3.960 -0.068 0.000 0.225 662 G C -0.094 174.991 174.900 0.309 0.000 1.036 662 G CA -0.593 44.656 45.100 0.249 0.000 0.880 662 G HN 0.480 nan 8.290 nan 0.000 0.557 663 F N 2.341 122.427 119.950 0.226 0.000 2.578 663 F HA 0.381 4.867 4.527 -0.069 0.000 0.381 663 F C -0.277 175.619 175.800 0.160 0.000 1.069 663 F CA -0.761 57.384 58.000 0.242 0.000 1.231 663 F CB 0.861 40.067 39.000 0.345 0.000 1.086 663 F HN -0.004 nan 8.300 nan 0.000 0.564 664 D N 5.558 125.696 120.400 -0.436 0.000 2.392 664 D HA 0.542 5.141 4.640 -0.068 0.000 0.228 664 D C -1.282 174.604 176.300 -0.690 0.000 1.074 664 D CA -0.327 53.448 54.000 -0.375 0.000 0.838 664 D CB 1.189 41.916 40.800 -0.122 0.000 1.067 664 D HN 0.683 nan 8.370 nan 0.000 0.511 665 A N 4.892 127.392 122.820 -0.533 0.000 2.768 665 A HA 0.436 4.715 4.320 -0.068 0.000 0.299 665 A C -2.098 175.378 177.584 -0.179 0.000 1.171 665 A CA -1.039 50.757 52.037 -0.403 0.000 0.759 665 A CB 1.262 19.968 19.000 -0.490 0.000 1.267 665 A HN 0.430 nan 8.150 nan 0.000 0.421 666 P HA -0.170 nan 4.420 nan 0.000 0.216 666 P C 1.468 178.649 177.300 -0.198 0.000 1.150 666 P CA 2.290 65.379 63.100 -0.018 0.000 0.843 666 P CB 0.105 31.929 31.700 0.206 0.000 0.787 667 T N -4.027 110.393 114.554 -0.223 0.000 3.219 667 T HA 0.176 4.485 4.350 -0.068 0.000 0.249 667 T C 0.415 175.073 174.700 -0.070 0.000 1.099 667 T CA -0.281 61.695 62.100 -0.206 0.000 0.988 667 T CB -0.803 67.996 68.868 -0.115 0.000 0.999 667 T HN -0.090 nan 8.240 nan 0.000 0.550 668 L N 3.389 124.538 121.223 -0.123 0.000 2.276 668 L HA 0.465 4.764 4.340 -0.068 0.000 0.286 668 L C 0.745 177.487 176.870 -0.213 0.000 1.061 668 L CA -0.207 54.586 54.840 -0.078 0.000 0.807 668 L CB 0.855 42.918 42.059 0.007 0.000 1.177 668 L HN 0.240 nan 8.230 nan 0.000 0.429 669 N N 1.449 119.998 118.700 -0.250 0.000 2.143 669 N HA 0.101 4.800 4.740 -0.068 0.000 0.222 669 N C -0.778 174.595 175.510 -0.227 0.000 1.264 669 N CA -0.254 52.585 53.050 -0.352 0.000 0.897 669 N CB 0.819 38.909 38.487 -0.662 0.000 1.092 669 N HN 0.494 nan 8.380 nan 0.000 0.516 670 T N 1.526 115.961 114.554 -0.197 0.000 2.928 670 T HA 0.432 4.741 4.350 -0.068 0.000 0.296 670 T C -1.574 172.941 174.700 -0.309 0.000 1.000 670 T CA -0.534 61.380 62.100 -0.310 0.000 0.989 670 T CB 2.062 70.688 68.868 -0.403 0.000 1.005 670 T HN 0.143 nan 8.240 nan 0.000 0.442 671 L N 4.094 125.079 121.223 -0.396 0.000 2.319 671 L HA 0.694 4.993 4.340 -0.068 0.000 0.281 671 L C -1.522 175.120 176.870 -0.380 0.000 1.005 671 L CA -0.600 54.078 54.840 -0.269 0.000 0.828 671 L CB 0.319 42.262 42.059 -0.193 0.000 1.227 671 L HN 0.543 nan 8.230 nan 0.000 0.415 672 F N 4.768 124.747 119.950 0.049 0.000 2.410 672 F HA 0.532 5.018 4.527 -0.068 0.000 0.348 672 F C 0.223 176.088 175.800 0.109 0.000 1.106 672 F CA -0.449 57.627 58.000 0.127 0.000 1.163 672 F CB 1.380 40.567 39.000 0.313 0.000 1.129 672 F HN 0.119 nan 8.300 nan 0.000 0.516 673 V N 2.796 122.848 119.914 0.231 0.000 2.376 673 V HA 0.210 4.289 4.120 -0.068 0.000 0.287 673 V C -0.897 175.364 176.094 0.278 0.000 1.015 673 V CA -0.632 61.772 62.300 0.173 0.000 0.834 673 V CB 1.557 33.416 31.823 0.060 0.000 1.001 673 V HN 0.617 nan 8.190 nan 0.000 0.428 674 D N 4.785 125.339 120.400 0.256 0.000 2.551 674 D HA 0.418 5.017 4.640 -0.068 0.000 0.294 674 D C -0.411 175.914 176.300 0.043 0.000 1.201 674 D CA -0.030 54.101 54.000 0.219 0.000 0.941 674 D CB 0.263 41.224 40.800 0.268 0.000 0.995 674 D HN 0.565 nan 8.370 nan 0.000 0.502 675 K N 1.348 121.742 120.400 -0.010 0.000 2.598 675 K HA 0.235 4.514 4.320 -0.068 0.000 0.271 675 K C -1.330 175.227 176.600 -0.072 0.000 0.947 675 K CA -0.716 55.538 56.287 -0.054 0.000 0.854 675 K CB 0.978 33.485 32.500 0.012 0.000 1.401 675 K HN -0.082 nan 8.250 nan 0.000 0.415 676 N N 4.178 122.818 118.700 -0.101 0.000 2.868 676 N HA 0.209 4.908 4.740 -0.068 0.000 0.252 676 N C -0.745 174.713 175.510 -0.087 0.000 1.130 676 N CA -0.023 52.971 53.050 -0.094 0.000 1.026 676 N CB 0.139 38.570 38.487 -0.094 0.000 1.335 676 N HN 0.362 nan 8.380 nan 0.000 0.516 677 L N 2.061 123.231 121.223 -0.089 0.000 2.312 677 L HA 0.457 4.756 4.340 -0.068 0.000 0.281 677 L C 0.851 177.593 176.870 -0.212 0.000 1.070 677 L CA -0.419 54.340 54.840 -0.134 0.000 0.805 677 L CB 0.972 42.955 42.059 -0.126 0.000 1.174 677 L HN 0.147 nan 8.230 nan 0.000 0.434 678 R N 1.969 122.326 120.500 -0.238 0.000 2.836 678 R HA 0.442 4.741 4.340 -0.068 0.000 0.269 678 R C -0.357 175.774 176.300 -0.282 0.000 1.010 678 R CA -0.956 54.940 56.100 -0.340 0.000 0.930 678 R CB 1.492 31.634 30.300 -0.263 0.000 1.218 678 R HN 0.444 nan 8.270 nan 0.000 0.473 679 Y N 0.951 121.200 120.300 -0.086 0.000 1.849 679 Y HA -0.520 3.989 4.550 -0.067 0.000 0.260 679 Y C 2.575 178.550 175.900 0.125 0.000 0.771 679 Y CA 1.978 60.103 58.100 0.042 0.000 1.519 679 Y CB -1.096 37.398 38.460 0.056 0.000 0.748 679 Y HN 0.868 nan 8.280 nan 0.000 0.773 680 H N -0.104 119.225 119.070 0.431 0.000 2.389 680 H HA -0.012 4.505 4.556 -0.066 0.000 0.299 680 H C 2.264 177.628 175.328 0.060 0.000 1.081 680 H CA 1.306 57.488 56.048 0.223 0.000 1.345 680 H CB -1.124 28.725 29.762 0.145 0.000 1.393 680 H HN 0.661 nan 8.280 nan 0.000 0.520 681 G N 3.003 111.634 108.800 -0.281 0.000 2.422 681 G HA2 -0.138 3.781 3.960 -0.068 0.000 0.218 681 G HA3 -0.138 3.781 3.960 -0.068 0.000 0.218 681 G C 1.197 176.011 174.900 -0.144 0.000 1.146 681 G CA 0.417 45.431 45.100 -0.143 0.000 0.769 681 G HN 0.300 nan 8.290 nan 0.000 0.547 685 A N 0.863 123.738 122.820 0.092 0.000 1.855 685 A HA -0.102 4.177 4.320 -0.068 0.000 0.215 685 A C 1.521 179.250 177.584 0.242 0.000 1.191 685 A CA 1.403 53.540 52.037 0.166 0.000 0.613 685 A CB -0.650 18.445 19.000 0.158 0.000 0.829 685 A HN 0.267 nan 8.150 nan 0.000 0.442 686 F N 1.390 121.255 119.950 -0.141 0.000 2.154 686 F HA -0.160 4.327 4.527 -0.067 0.000 0.301 686 F C 2.724 178.421 175.800 -0.172 0.000 1.087 686 F CA 1.183 58.949 58.000 -0.390 0.000 1.274 686 F CB -1.195 37.247 39.000 -0.930 0.000 1.009 686 F HN 0.156 nan 8.300 nan 0.000 0.485 687 S N -0.478 115.409 115.700 0.312 0.000 2.474 687 S HA -0.147 4.282 4.470 -0.068 0.000 0.235 687 S C 1.894 176.646 174.600 0.253 0.000 0.997 687 S CA 0.363 58.808 58.200 0.408 0.000 0.949 687 S CB -0.225 63.181 63.200 0.344 0.000 0.766 687 S HN 0.157 nan 8.310 nan 0.000 0.517 688 R N 1.585 122.206 120.500 0.202 0.000 2.204 688 R HA -0.105 4.194 4.340 -0.068 0.000 0.253 688 R C 2.343 178.705 176.300 0.102 0.000 1.172 688 R CA 1.855 58.055 56.100 0.166 0.000 0.994 688 R CB -1.524 28.896 30.300 0.201 0.000 0.874 688 R HN 0.648 nan 8.270 nan 0.000 0.462 689 T N -3.023 111.598 114.554 0.111 0.000 3.086 689 T HA 0.028 4.337 4.350 -0.068 0.000 0.250 689 T C 0.912 175.660 174.700 0.081 0.000 1.074 689 T CA 0.315 62.443 62.100 0.046 0.000 0.988 689 T CB -0.391 68.484 68.868 0.012 0.000 0.988 689 T HN 0.541 nan 8.240 nan 0.000 0.530 690 N N 0.004 118.800 118.700 0.159 0.000 2.336 690 N HA 0.076 4.775 4.740 -0.068 0.000 0.189 690 N C 0.264 175.788 175.510 0.023 0.000 1.113 690 N CA -0.766 52.356 53.050 0.120 0.000 0.858 690 N CB 0.060 38.641 38.487 0.156 0.000 0.970 690 N HN 0.035 nan 8.380 nan 0.000 0.471 691 R N 2.009 122.515 120.500 0.010 0.000 2.389 691 R HA 0.242 4.541 4.340 -0.068 0.000 0.295 691 R C 0.510 176.801 176.300 -0.016 0.000 1.075 691 R CA -0.444 55.664 56.100 0.015 0.000 1.005 691 R CB 0.534 30.857 30.300 0.037 0.000 0.987 691 R HN 0.340 nan 8.270 nan 0.000 0.452 692 I N 0.335 120.874 120.570 -0.051 0.000 2.836 692 I HA 0.062 4.191 4.170 -0.068 0.000 0.285 692 I C -0.133 176.001 176.117 0.028 0.000 1.174 692 I CA 0.148 61.372 61.300 -0.127 0.000 1.405 692 I CB 0.557 38.353 38.000 -0.341 0.000 1.385 692 I HN 0.745 nan 8.210 nan 0.000 0.594 693 Y N 2.945 123.182 120.300 -0.103 0.000 3.261 693 Y HA 0.142 4.651 4.550 -0.069 0.000 0.157 693 Y C -0.487 175.486 175.900 0.122 0.000 0.889 693 Y CA 0.600 58.761 58.100 0.103 0.000 1.869 693 Y CB 0.661 39.167 38.460 0.077 0.000 1.379 693 Y HN 0.897 nan 8.280 nan 0.000 0.306 694 D N -0.889 119.585 120.400 0.123 0.000 2.946 694 D HA 0.320 4.919 4.640 -0.068 0.000 0.337 694 D C 0.386 176.719 176.300 0.055 0.000 1.332 694 D CA 0.024 54.037 54.000 0.022 0.000 0.935 694 D CB 0.451 41.240 40.800 -0.018 0.000 1.440 694 D HN 0.263 nan 8.370 nan 0.000 0.540 695 A N -0.687 122.152 122.820 0.031 0.000 2.076 695 A HA -0.055 4.224 4.320 -0.068 0.000 0.220 695 A C 1.891 179.476 177.584 0.001 0.000 1.160 695 A CA 2.160 54.198 52.037 0.001 0.000 0.653 695 A CB -1.215 17.783 19.000 -0.003 0.000 0.801 695 A HN 0.555 nan 8.150 nan 0.000 0.455 696 T N -0.876 113.721 114.554 0.073 0.000 2.867 696 T HA -0.029 4.280 4.350 -0.068 0.000 0.268 696 T C 1.006 175.737 174.700 0.052 0.000 1.057 696 T CA 1.089 63.248 62.100 0.099 0.000 1.136 696 T CB -0.104 68.879 68.868 0.191 0.000 0.874 696 T HN 0.426 nan 8.240 nan 0.000 0.466 697 K N 1.384 121.798 120.400 0.024 0.000 2.334 697 K HA 0.272 4.551 4.320 -0.068 0.000 0.265 697 K C 0.293 176.722 176.600 -0.286 0.000 1.039 697 K CA -0.067 56.057 56.287 -0.272 0.000 0.920 697 K CB 1.038 33.304 32.500 -0.391 0.000 1.160 697 K HN -0.044 nan 8.250 nan 0.000 0.451 698 T N 4.013 118.291 114.554 -0.460 0.000 3.033 698 T HA 0.186 4.495 4.350 -0.068 0.000 0.248 698 T C -0.370 174.113 174.700 -0.361 0.000 1.040 698 T CA 0.551 62.371 62.100 -0.467 0.000 1.133 698 T CB 0.059 68.469 68.868 -0.763 0.000 0.895 698 T HN 0.654 nan 8.240 nan 0.000 0.465 699 F N -1.961 117.921 119.950 -0.113 0.000 2.978 699 F HA 0.623 5.109 4.527 -0.069 0.000 0.324 699 F C -0.322 175.411 175.800 -0.112 0.000 1.157 699 F CA -1.842 56.104 58.000 -0.090 0.000 0.879 699 F CB 0.500 39.475 39.000 -0.041 0.000 1.364 699 F HN -0.127 nan 8.300 nan 0.000 0.465 700 G N 0.779 109.773 108.800 0.323 0.000 2.348 700 G HA2 0.442 4.361 3.960 -0.068 0.000 0.312 700 G HA3 0.442 4.361 3.960 -0.068 0.000 0.312 700 G C -1.388 173.614 174.900 0.169 0.000 1.126 700 G CA -0.799 44.401 45.100 0.167 0.000 0.865 700 G HN 0.564 nan 8.290 nan 0.000 0.474 701 N N 1.442 120.136 118.700 -0.011 0.000 2.422 701 N HA 0.230 4.929 4.740 -0.068 0.000 0.264 701 N C -0.294 175.019 175.510 -0.328 0.000 1.063 701 N CA -0.249 52.728 53.050 -0.121 0.000 0.959 701 N CB 1.800 40.200 38.487 -0.144 0.000 1.087 701 N HN 0.179 nan 8.380 nan 0.000 0.483 702 I N 2.754 123.076 120.570 -0.413 0.000 2.330 702 I HA 0.290 4.419 4.170 -0.068 0.000 0.289 702 I C -0.055 175.779 176.117 -0.473 0.000 1.001 702 I CA -0.812 60.117 61.300 -0.619 0.000 1.193 702 I CB 1.024 38.402 38.000 -1.037 0.000 1.345 702 I HN 0.018 nan 8.210 nan 0.000 0.461 703 V N 5.691 125.334 119.914 -0.453 0.000 2.349 703 V HA 0.396 4.475 4.120 -0.068 0.000 0.284 703 V C 0.422 176.224 176.094 -0.487 0.000 1.014 703 V CA -0.508 61.569 62.300 -0.371 0.000 0.826 703 V CB 1.643 33.350 31.823 -0.193 0.000 1.009 703 V HN 0.892 nan 8.190 nan 0.000 0.431 704 T N 0.638 114.903 114.554 -0.482 0.000 2.925 704 T HA 0.673 4.982 4.350 -0.068 0.000 0.285 704 T C -0.010 174.347 174.700 -0.572 0.000 1.021 704 T CA -0.386 61.473 62.100 -0.402 0.000 1.042 704 T CB 1.425 70.214 68.868 -0.131 0.000 1.037 704 T HN 0.253 nan 8.240 nan 0.000 0.481 705 F N -0.033 120.019 119.950 0.169 0.000 2.682 705 F HA 0.450 4.936 4.527 -0.068 0.000 0.308 705 F C 1.111 177.080 175.800 0.281 0.000 1.093 705 F CA -0.983 57.155 58.000 0.230 0.000 1.244 705 F CB 0.429 39.514 39.000 0.140 0.000 1.052 705 F HN 0.222 nan 8.300 nan 0.000 0.573 706 R N 0.038 120.655 120.500 0.194 0.000 2.711 706 R HA 0.287 4.586 4.340 -0.068 0.000 0.284 706 R C -1.102 174.950 176.300 -0.415 0.000 0.968 706 R CA -0.987 55.084 56.100 -0.047 0.000 0.924 706 R CB 1.168 31.448 30.300 -0.033 0.000 1.162 706 R HN -0.187 nan 8.270 nan 0.000 0.465 707 D N 2.256 122.139 120.400 -0.862 0.000 2.342 707 D HA 0.025 4.624 4.640 -0.068 0.000 0.260 707 D C 0.117 176.219 176.300 -0.330 0.000 1.278 707 D CA 0.271 53.745 54.000 -0.876 0.000 0.910 707 D CB 0.560 40.867 40.800 -0.821 0.000 1.079 707 D HN 0.407 nan 8.370 nan 0.000 0.496 708 L N 3.282 124.393 121.223 -0.186 0.000 2.769 708 L HA 0.197 4.496 4.340 -0.068 0.000 0.240 708 L C 1.862 178.703 176.870 -0.048 0.000 1.163 708 L CA -0.207 54.584 54.840 -0.081 0.000 0.962 708 L CB 0.035 42.110 42.059 0.026 0.000 1.258 708 L HN 0.519 nan 8.230 nan 0.000 0.513 709 E N 0.817 120.984 120.200 -0.055 0.000 2.031 709 E HA -0.219 4.090 4.350 -0.068 0.000 0.193 709 E C 2.212 178.794 176.600 -0.031 0.000 0.994 709 E CA 1.012 57.401 56.400 -0.019 0.000 0.800 709 E CB 0.258 29.954 29.700 -0.007 0.000 0.752 709 E HN 0.277 nan 8.360 nan 0.000 0.447 710 R N 0.292 120.760 120.500 -0.053 0.000 2.073 710 R HA -0.075 4.224 4.340 -0.068 0.000 0.234 710 R C 2.443 178.684 176.300 -0.099 0.000 1.134 710 R CA 1.418 57.483 56.100 -0.059 0.000 0.952 710 R CB -0.593 29.672 30.300 -0.059 0.000 0.850 710 R HN 0.124 nan 8.270 nan 0.000 0.433 711 S N -0.189 115.428 115.700 -0.139 0.000 2.370 711 S HA -0.116 4.313 4.470 -0.068 0.000 0.226 711 S C 1.917 176.389 174.600 -0.213 0.000 1.033 711 S CA 1.847 59.905 58.200 -0.236 0.000 1.011 711 S CB -0.259 62.797 63.200 -0.240 0.000 0.852 711 S HN 0.423 nan 8.310 nan 0.000 0.457 712 T N 2.343 116.831 114.554 -0.110 0.000 2.708 712 T HA 0.044 4.353 4.350 -0.068 0.000 0.266 712 T C 1.717 176.408 174.700 -0.015 0.000 1.037 712 T CA 1.071 63.142 62.100 -0.049 0.000 1.146 712 T CB -0.345 68.574 68.868 0.084 0.000 0.865 712 T HN 0.313 nan 8.240 nan 0.000 0.435 713 I N 0.912 121.475 120.570 -0.012 0.000 2.546 713 I HA -0.115 4.014 4.170 -0.068 0.000 0.255 713 I C 2.042 178.163 176.117 0.006 0.000 1.163 713 I CA 0.967 62.273 61.300 0.010 0.000 1.457 713 I CB -0.202 37.800 38.000 0.005 0.000 1.092 713 I HN 0.115 nan 8.210 nan 0.000 0.434 714 D N 0.847 121.224 120.400 -0.038 0.000 2.194 714 D HA -0.029 4.570 4.640 -0.068 0.000 0.204 714 D C 2.238 178.570 176.300 0.053 0.000 0.964 714 D CA 1.184 55.184 54.000 0.000 0.000 0.846 714 D CB -0.025 40.737 40.800 -0.062 0.000 0.962 714 D HN 0.278 nan 8.370 nan 0.000 0.490 715 A N 1.111 123.909 122.820 -0.037 0.000 1.835 715 A HA -0.142 4.137 4.320 -0.068 0.000 0.215 715 A C 2.344 180.066 177.584 0.230 0.000 1.199 715 A CA 0.985 53.091 52.037 0.116 0.000 0.615 715 A CB -0.945 18.061 19.000 0.010 0.000 0.838 715 A HN 0.156 nan 8.150 nan 0.000 0.444 716 I N -0.278 120.407 120.570 0.192 0.000 2.143 716 I HA -0.327 3.802 4.170 -0.068 0.000 0.245 716 I C 2.581 178.806 176.117 0.181 0.000 1.068 716 I CA 2.066 63.501 61.300 0.225 0.000 1.326 716 I CB -0.669 37.426 38.000 0.158 0.000 1.028 716 I HN 0.301 nan 8.210 nan 0.000 0.412 717 T N 0.943 115.553 114.554 0.094 0.000 2.904 717 T HA -0.092 4.217 4.350 -0.068 0.000 0.267 717 T C 1.973 176.666 174.700 -0.011 0.000 1.059 717 T CA 0.708 62.834 62.100 0.044 0.000 1.137 717 T CB -0.204 68.677 68.868 0.023 0.000 0.879 717 T HN 0.285 nan 8.240 nan 0.000 0.467 718 L N 0.022 121.195 121.223 -0.082 0.000 2.043 718 L HA -0.103 4.196 4.340 -0.068 0.000 0.212 718 L C 1.086 177.753 176.870 -0.338 0.000 1.075 718 L CA 1.845 56.486 54.840 -0.332 0.000 0.752 718 L CB -0.217 41.481 42.059 -0.601 0.000 0.891 718 L HN 0.335 nan 8.230 nan 0.000 0.432 719 F N -1.289 118.831 119.950 0.283 0.000 2.668 719 F HA 0.292 4.777 4.527 -0.070 0.000 0.297 719 F C 1.023 177.032 175.800 0.347 0.000 1.124 719 F CA -0.054 58.214 58.000 0.446 0.000 1.353 719 F CB 0.472 39.757 39.000 0.474 0.000 0.992 719 F HN 0.034 nan 8.300 nan 0.000 0.524 720 G N -0.404 108.554 108.800 0.263 0.000 3.198 720 G HA2 0.407 4.326 3.960 -0.068 0.000 0.166 720 G HA3 0.407 4.326 3.960 -0.068 0.000 0.166 720 G C -1.428 173.502 174.900 0.050 0.000 1.134 720 G CA -0.097 45.084 45.100 0.134 0.000 0.941 720 G HN 0.131 nan 8.290 nan 0.000 0.639 721 D N -1.292 119.118 120.400 0.016 0.000 2.961 721 D HA 0.421 5.020 4.640 -0.068 0.000 0.257 721 D C 0.727 177.025 176.300 -0.003 0.000 1.211 721 D CA -0.542 53.453 54.000 -0.008 0.000 1.066 721 D CB 0.698 41.486 40.800 -0.019 0.000 1.291 721 D HN 0.201 nan 8.370 nan 0.000 0.629 722 K N -1.246 119.148 120.400 -0.010 0.000 2.365 722 K HA 0.129 4.408 4.320 -0.068 0.000 0.197 722 K C 1.334 177.931 176.600 -0.005 0.000 1.042 722 K CA 0.680 56.963 56.287 -0.007 0.000 0.987 722 K CB -0.163 32.330 32.500 -0.011 0.000 0.779 722 K HN 0.388 nan 8.250 nan 0.000 0.484 723 N N -0.860 117.835 118.700 -0.008 0.000 2.405 723 N HA -0.055 4.644 4.740 -0.068 0.000 0.175 723 N C 0.963 176.467 175.510 -0.009 0.000 1.051 723 N CA 0.918 53.962 53.050 -0.011 0.000 0.899 723 N CB 0.207 38.684 38.487 -0.016 0.000 1.000 723 N HN -0.085 nan 8.380 nan 0.000 0.451 724 T N 1.112 115.664 114.554 -0.004 0.000 2.714 724 T HA -0.293 4.016 4.350 -0.068 0.000 0.268 724 T C 1.579 176.285 174.700 0.010 0.000 1.036 724 T CA 1.967 64.067 62.100 0.002 0.000 1.148 724 T CB -0.418 68.466 68.868 0.027 0.000 0.856 724 T HN 0.588 nan 8.240 nan 0.000 0.462 725 K N 1.314 121.725 120.400 0.020 0.000 2.152 725 K HA -0.129 4.150 4.320 -0.068 0.000 0.206 725 K C 1.715 178.318 176.600 0.005 0.000 1.048 725 K CA 1.637 57.940 56.287 0.025 0.000 0.933 725 K CB -0.292 32.224 32.500 0.026 0.000 0.721 725 K HN 0.225 nan 8.250 nan 0.000 0.447 726 N N 0.780 119.476 118.700 -0.008 0.000 2.457 726 N HA -0.045 4.654 4.740 -0.068 0.000 0.180 726 N C 1.603 177.099 175.510 -0.024 0.000 1.050 726 N CA 0.725 53.762 53.050 -0.021 0.000 0.906 726 N CB 0.203 38.678 38.487 -0.021 0.000 0.968 726 N HN 0.091 nan 8.380 nan 0.000 0.445 727 V N -0.187 119.712 119.914 -0.025 0.000 2.685 727 V HA 0.019 4.098 4.120 -0.068 0.000 0.244 727 V C 2.096 178.162 176.094 -0.047 0.000 1.054 727 V CA 0.655 62.934 62.300 -0.035 0.000 1.076 727 V CB 0.201 31.994 31.823 -0.049 0.000 0.725 727 V HN -0.008 nan 8.190 nan 0.000 0.467 728 V N -0.251 119.639 119.914 -0.039 0.000 2.725 728 V HA 0.119 4.198 4.120 -0.068 0.000 0.247 728 V C 0.857 176.929 176.094 -0.036 0.000 1.058 728 V CA 0.779 63.043 62.300 -0.061 0.000 1.080 728 V CB -0.103 31.712 31.823 -0.013 0.000 0.713 728 V HN 0.291 nan 8.190 nan 0.000 0.465 729 L N 0.858 122.077 121.223 -0.006 0.000 2.295 729 L HA 0.412 4.711 4.340 -0.068 0.000 0.285 729 L C 0.334 177.165 176.870 -0.065 0.000 1.035 729 L CA -0.511 54.326 54.840 -0.006 0.000 0.806 729 L CB 1.203 43.273 42.059 0.018 0.000 1.214 729 L HN 0.130 nan 8.230 nan 0.000 0.426 730 E N 3.200 123.320 120.200 -0.133 0.000 2.408 730 E HA 0.120 4.429 4.350 -0.068 0.000 0.259 730 E C -0.198 176.355 176.600 -0.079 0.000 1.110 730 E CA -0.119 56.182 56.400 -0.165 0.000 0.929 730 E CB 0.867 30.268 29.700 -0.499 0.000 0.971 730 E HN 0.307 nan 8.360 nan 0.000 0.438 731 K N 0.399 120.787 120.400 -0.020 0.000 2.140 731 K HA 0.171 4.450 4.320 -0.068 0.000 0.237 731 K C 0.501 177.159 176.600 0.097 0.000 1.045 731 K CA -0.296 55.891 56.287 -0.167 0.000 0.896 731 K CB 0.217 32.264 32.500 -0.755 0.000 1.122 731 K HN 0.576 nan 8.250 nan 0.000 0.503 732 S N -0.719 114.976 115.700 -0.010 0.000 2.632 732 S HA 0.034 4.463 4.470 -0.068 0.000 0.271 732 S C 1.249 175.978 174.600 0.213 0.000 1.260 732 S CA -0.572 57.738 58.200 0.183 0.000 1.010 732 S CB 0.401 63.645 63.200 0.072 0.000 0.965 732 S HN 0.642 nan 8.310 nan 0.000 0.534 733 Y N 2.446 122.856 120.300 0.184 0.000 2.062 733 Y HA -0.256 4.253 4.550 -0.069 0.000 0.276 733 Y C 2.774 178.647 175.900 -0.045 0.000 1.189 733 Y CA 2.676 60.720 58.100 -0.093 0.000 1.130 733 Y CB -1.162 37.375 38.460 0.127 0.000 0.959 733 Y HN 0.817 nan 8.280 nan 0.000 0.499 734 T N -0.421 114.060 114.554 -0.121 0.000 2.867 734 T HA -0.156 4.153 4.350 -0.068 0.000 0.268 734 T C 1.682 176.276 174.700 -0.177 0.000 1.057 734 T CA 1.667 63.629 62.100 -0.230 0.000 1.136 734 T CB -0.274 68.585 68.868 -0.015 0.000 0.874 734 T HN 0.597 nan 8.240 nan 0.000 0.466 735 E N -0.846 119.262 120.200 -0.153 0.000 2.077 735 E HA -0.039 4.270 4.350 -0.068 0.000 0.193 735 E C 0.280 176.825 176.600 -0.091 0.000 0.989 735 E CA 0.785 57.086 56.400 -0.166 0.000 0.800 735 E CB -0.033 29.397 29.700 -0.450 0.000 0.746 735 E HN 0.586 nan 8.360 nan 0.000 0.452 739 G N 1.572 110.404 108.800 0.054 0.000 2.576 739 G HA2 0.247 4.166 3.960 -0.068 0.000 0.686 739 G HA3 0.247 4.166 3.960 -0.068 0.000 0.686 739 G C -0.702 174.271 174.900 0.121 0.000 1.242 739 G CA -0.375 44.739 45.100 0.023 0.000 0.819 739 G HN 0.327 nan 8.290 nan 0.000 0.655 740 F N -2.252 117.628 119.950 -0.117 0.000 2.858 740 F HA 0.832 5.318 4.527 -0.068 0.000 0.319 740 F C -0.375 175.370 175.800 -0.092 0.000 1.166 740 F CA -0.799 57.133 58.000 -0.112 0.000 0.899 740 F CB 0.803 39.706 39.000 -0.161 0.000 1.332 740 F HN 0.658 nan 8.300 nan 0.000 0.461 741 T N 0.882 115.495 114.554 0.098 0.000 2.771 741 T HA 0.272 4.581 4.350 -0.068 0.000 0.281 741 T C -1.186 173.631 174.700 0.196 0.000 0.982 741 T CA -0.325 61.777 62.100 0.004 0.000 0.978 741 T CB 0.992 69.869 68.868 0.015 0.000 0.930 741 T HN 0.672 nan 8.240 nan 0.000 0.447 742 D N 2.342 122.797 120.400 0.091 0.000 2.368 742 D HA 0.314 4.913 4.640 -0.068 0.000 0.268 742 D C 1.252 177.601 176.300 0.082 0.000 1.298 742 D CA -0.033 54.066 54.000 0.165 0.000 0.938 742 D CB 0.485 41.342 40.800 0.094 0.000 1.101 742 D HN 0.600 nan 8.370 nan 0.000 0.509 743 A N 4.001 126.868 122.820 0.078 0.000 1.940 743 A HA -0.170 4.109 4.320 -0.068 0.000 0.219 743 A C 2.172 179.768 177.584 0.019 0.000 1.176 743 A CA 1.845 53.904 52.037 0.035 0.000 0.631 743 A CB -0.628 18.385 19.000 0.022 0.000 0.814 743 A HN 0.648 nan 8.150 nan 0.000 0.446 744 A N -0.801 122.032 122.820 0.021 0.000 1.972 744 A HA -0.046 4.233 4.320 -0.068 0.000 0.219 744 A C 2.261 179.848 177.584 0.004 0.000 1.169 744 A CA 2.430 54.471 52.037 0.006 0.000 0.635 744 A CB -0.783 18.219 19.000 0.003 0.000 0.810 744 A HN 0.823 nan 8.150 nan 0.000 0.446 745 T N -6.363 108.197 114.554 0.010 0.000 2.959 745 T HA 0.444 4.753 4.350 -0.068 0.000 0.254 745 T C 1.506 176.203 174.700 -0.005 0.000 1.003 745 T CA 1.023 63.124 62.100 0.002 0.000 0.950 745 T CB 0.507 69.376 68.868 0.002 0.000 1.090 745 T HN 1.651 nan 8.240 nan 0.000 0.503 746 G N 2.034 110.831 108.800 -0.004 0.000 2.253 746 G HA2 -0.242 3.677 3.960 -0.068 0.000 0.251 746 G HA3 -0.242 3.677 3.960 -0.068 0.000 0.251 746 G C -0.068 174.813 174.900 -0.030 0.000 0.998 746 G CA 0.044 45.136 45.100 -0.012 0.000 0.621 746 G HN 0.623 nan 8.290 nan 0.000 0.524 747 E N 1.366 121.541 120.200 -0.041 0.000 2.328 747 E HA 0.468 4.777 4.350 -0.068 0.000 0.265 747 E C 0.757 177.278 176.600 -0.132 0.000 1.057 747 E CA 0.534 56.888 56.400 -0.076 0.000 0.916 747 E CB 0.784 30.439 29.700 -0.076 0.000 0.993 747 E HN 0.901 nan 8.360 nan 0.000 0.446 748 A N 4.282 127.022 122.820 -0.133 0.000 2.488 748 A HA 0.158 4.437 4.320 -0.068 0.000 0.249 748 A C 0.180 177.606 177.584 -0.263 0.000 1.083 748 A CA -0.003 51.918 52.037 -0.192 0.000 0.768 748 A CB 0.176 19.100 19.000 -0.127 0.000 1.017 748 A HN 0.450 nan 8.150 nan 0.000 0.496 749 K N 2.027 122.159 120.400 -0.447 0.000 2.413 749 K HA 0.300 4.579 4.320 -0.068 0.000 0.257 749 K C -0.535 175.873 176.600 -0.320 0.000 0.946 749 K CA -0.431 55.607 56.287 -0.416 0.000 0.823 749 K CB 1.547 33.689 32.500 -0.597 0.000 1.109 749 K HN 0.783 nan 8.250 nan 0.000 0.427 750 R N 1.578 121.979 120.500 -0.164 0.000 2.449 750 R HA 0.254 4.553 4.340 -0.068 0.000 0.296 750 R C 0.234 176.513 176.300 -0.036 0.000 1.047 750 R CA 0.003 56.050 56.100 -0.088 0.000 1.018 750 R CB 0.155 30.424 30.300 -0.053 0.000 0.962 750 R HN 0.837 nan 8.270 nan 0.000 0.428 751 G N 3.431 112.247 108.800 0.027 0.000 2.734 751 G HA2 -0.273 3.646 3.960 -0.068 0.000 0.277 751 G HA3 -0.273 3.646 3.960 -0.068 0.000 0.277 751 G C -0.257 174.697 174.900 0.091 0.000 1.099 751 G CA -0.369 44.759 45.100 0.047 0.000 1.218 751 G HN 0.643 nan 8.290 nan 0.000 0.554 755 V N 2.025 121.904 119.914 -0.058 0.000 2.307 755 V HA -0.120 3.959 4.120 -0.068 0.000 0.245 755 V C 2.553 178.600 176.094 -0.079 0.000 1.045 755 V CA 1.822 64.084 62.300 -0.064 0.000 1.024 755 V CB -0.570 31.195 31.823 -0.097 0.000 0.651 755 V HN 0.360 nan 8.190 nan 0.000 0.449 756 V N -0.362 119.452 119.914 -0.166 0.000 2.343 756 V HA -0.260 3.819 4.120 -0.068 0.000 0.247 756 V C 2.687 178.763 176.094 -0.030 0.000 1.051 756 V CA 2.401 64.627 62.300 -0.124 0.000 1.036 756 V CB -0.631 31.094 31.823 -0.164 0.000 0.654 756 V HN 0.624 nan 8.190 nan 0.000 0.451 757 S N -0.830 114.862 115.700 -0.014 0.000 2.368 757 S HA -0.242 4.187 4.470 -0.068 0.000 0.225 757 S C 2.005 176.610 174.600 0.008 0.000 1.030 757 S CA 1.819 60.024 58.200 0.009 0.000 0.999 757 S CB -0.281 62.925 63.200 0.011 0.000 0.844 757 S HN 0.682 nan 8.310 nan 0.000 0.459 758 E N 0.260 120.463 120.200 0.005 0.000 2.110 758 E HA -0.077 4.232 4.350 -0.068 0.000 0.193 758 E C 2.056 178.690 176.600 0.057 0.000 0.988 758 E CA 0.994 57.404 56.400 0.017 0.000 0.804 758 E CB -0.195 29.524 29.700 0.031 0.000 0.745 758 E HN 0.507 nan 8.360 nan 0.000 0.458 759 L N 0.738 121.997 121.223 0.061 0.000 2.141 759 L HA -0.186 4.113 4.340 -0.068 0.000 0.209 759 L C 2.073 179.024 176.870 0.135 0.000 1.094 759 L CA 1.142 56.027 54.840 0.075 0.000 0.763 759 L CB -0.147 41.810 42.059 -0.169 0.000 0.908 759 L HN 0.144 nan 8.230 nan 0.000 0.437 760 E N -1.152 119.103 120.200 0.092 0.000 2.140 760 E HA -0.138 4.171 4.350 -0.068 0.000 0.191 760 E C 2.120 178.745 176.600 0.041 0.000 0.973 760 E CA 0.255 56.713 56.400 0.097 0.000 0.829 760 E CB 0.058 29.805 29.700 0.078 0.000 0.781 760 E HN 0.407 nan 8.360 nan 0.000 0.466 761 Q N 0.856 120.657 119.800 0.002 0.000 2.084 761 Q HA -0.069 4.230 4.340 -0.068 0.000 0.202 761 Q C 1.905 177.840 176.000 -0.108 0.000 0.978 761 Q CA 1.352 57.129 55.803 -0.044 0.000 0.844 761 Q CB -0.126 28.580 28.738 -0.053 0.000 0.898 761 Q HN 0.209 nan 8.270 nan 0.000 0.426 762 R N -1.695 118.697 120.500 -0.180 0.000 2.312 762 R HA 0.199 4.498 4.340 -0.068 0.000 0.205 762 R C -0.002 175.894 176.300 -0.673 0.000 0.904 762 R CA 0.084 55.875 56.100 -0.516 0.000 1.052 762 R CB 0.670 30.515 30.300 -0.759 0.000 1.014 762 R HN 0.082 nan 8.270 nan 0.000 0.503 763 F N -0.249 119.695 119.950 -0.009 0.000 2.860 763 F HA 0.125 4.611 4.527 -0.068 0.000 0.435 763 F C -2.357 173.472 175.800 0.049 0.000 1.174 763 F CA -1.049 56.937 58.000 -0.024 0.000 1.126 763 F CB 1.762 40.715 39.000 -0.078 0.000 2.569 763 F HN -0.142 nan 8.300 nan 0.000 0.495 764 P HA 0.205 nan 4.420 nan 0.000 0.250 764 P C -0.506 176.787 177.300 -0.012 0.000 1.808 764 P CA 0.096 63.235 63.100 0.065 0.000 1.117 764 P CB -0.219 31.500 31.700 0.031 0.000 1.602 765 D N -1.081 119.321 120.400 0.003 0.000 4.443 765 D HA -0.225 4.374 4.640 -0.068 0.000 0.302 765 D C -1.886 174.376 176.300 -0.062 0.000 2.380 765 D CA 0.210 54.176 54.000 -0.057 0.000 1.094 765 D CB -2.247 38.467 40.800 -0.143 0.000 1.105 765 D HN 0.055 nan 8.370 nan 0.000 1.285 766 P HA -0.071 nan 4.420 nan 0.000 0.223 766 P C 1.132 178.408 177.300 -0.040 0.000 1.144 766 P CA 2.119 65.175 63.100 -0.073 0.000 0.783 766 P CB -0.389 31.268 31.700 -0.071 0.000 0.771 767 T N -4.510 110.029 114.554 -0.026 0.000 3.026 767 T HA -0.095 4.214 4.350 -0.068 0.000 0.271 767 T C 1.654 176.363 174.700 0.016 0.000 1.149 767 T CA 1.385 63.479 62.100 -0.009 0.000 1.088 767 T CB -0.760 68.101 68.868 -0.011 0.000 0.857 767 T HN 0.049 nan 8.240 nan 0.000 0.551 768 S N 0.258 115.981 115.700 0.039 0.000 2.475 768 S HA 0.279 4.708 4.470 -0.068 0.000 0.224 768 S C 0.511 175.256 174.600 0.242 0.000 1.042 768 S CA -0.553 57.714 58.200 0.112 0.000 0.935 768 S CB -0.135 63.153 63.200 0.146 0.000 0.801 768 S HN 0.376 nan 8.310 nan 0.000 0.509 769 I N 3.596 124.281 120.570 0.192 0.000 3.299 769 I HA -0.156 3.973 4.170 -0.068 0.000 0.351 769 I C 1.265 177.423 176.117 0.068 0.000 1.161 769 I CA 0.757 62.117 61.300 0.100 0.000 1.513 769 I CB -0.150 37.861 38.000 0.019 0.000 1.264 769 I HN 0.462 nan 8.210 nan 0.000 0.505 770 E N 2.684 122.917 120.200 0.055 0.000 2.642 770 E HA 0.003 4.312 4.350 -0.068 0.000 0.206 770 E C 0.081 176.699 176.600 0.028 0.000 0.939 770 E CA 0.061 56.472 56.400 0.019 0.000 1.372 770 E CB -0.176 29.521 29.700 -0.004 0.000 1.334 770 E HN 0.580 nan 8.360 nan 0.000 0.709 771 S N 0.911 116.648 115.700 0.061 0.000 2.564 771 S HA 0.096 4.525 4.470 -0.068 0.000 0.278 771 S C 1.061 175.735 174.600 0.124 0.000 1.333 771 S CA 0.149 58.396 58.200 0.078 0.000 1.048 771 S CB 1.795 65.038 63.200 0.072 0.000 0.900 771 S HN 0.276 nan 8.310 nan 0.000 0.505 772 E N 2.259 122.553 120.200 0.157 0.000 2.130 772 E HA -0.267 4.042 4.350 -0.068 0.000 0.196 772 E C 1.874 178.615 176.600 0.235 0.000 0.998 772 E CA 1.486 58.058 56.400 0.286 0.000 0.806 772 E CB -0.136 29.789 29.700 0.375 0.000 0.738 772 E HN 0.830 nan 8.360 nan 0.000 0.459 773 K N 0.486 120.963 120.400 0.128 0.000 2.148 773 K HA -0.187 4.092 4.320 -0.068 0.000 0.204 773 K C 1.731 178.378 176.600 0.079 0.000 1.050 773 K CA 1.535 57.848 56.287 0.044 0.000 0.942 773 K CB 0.032 32.551 32.500 0.032 0.000 0.724 773 K HN 0.180 nan 8.250 nan 0.000 0.446 774 E N 0.450 120.742 120.200 0.154 0.000 2.107 774 E HA -0.119 4.190 4.350 -0.068 0.000 0.191 774 E C 1.978 178.769 176.600 0.317 0.000 0.982 774 E CA 0.988 57.556 56.400 0.281 0.000 0.809 774 E CB 0.158 30.031 29.700 0.289 0.000 0.756 774 E HN 0.274 nan 8.360 nan 0.000 0.459 775 K N 1.115 121.669 120.400 0.257 0.000 2.026 775 K HA -0.181 4.098 4.320 -0.068 0.000 0.208 775 K C 2.199 178.931 176.600 0.220 0.000 1.048 775 K CA 1.059 57.537 56.287 0.319 0.000 0.929 775 K CB -0.141 32.624 32.500 0.441 0.000 0.713 775 K HN -0.037 nan 8.250 nan 0.000 0.439 776 K N 1.252 121.624 120.400 -0.046 0.000 2.044 776 K HA -0.229 4.050 4.320 -0.068 0.000 0.210 776 K C 1.459 177.943 176.600 -0.193 0.000 1.049 776 K CA 2.176 58.156 56.287 -0.513 0.000 0.927 776 K CB -0.050 31.936 32.500 -0.858 0.000 0.713 776 K HN 0.035 nan 8.250 nan 0.000 0.443 777 D N 0.084 120.494 120.400 0.015 0.000 2.097 777 D HA -0.164 4.435 4.640 -0.068 0.000 0.195 777 D C 1.605 178.028 176.300 0.205 0.000 0.989 777 D CA 0.893 54.996 54.000 0.172 0.000 0.827 777 D CB -0.410 40.605 40.800 0.359 0.000 0.966 777 D HN 0.203 nan 8.370 nan 0.000 0.456 778 F N 1.637 121.483 119.950 -0.175 0.000 2.091 778 F HA -0.227 4.260 4.527 -0.068 0.000 0.299 778 F C 2.122 177.837 175.800 -0.143 0.000 1.103 778 F CA 0.917 58.502 58.000 -0.692 0.000 1.228 778 F CB -0.747 37.667 39.000 -0.976 0.000 0.984 778 F HN -0.175 nan 8.300 nan 0.000 0.477 779 V N 0.978 120.717 119.914 -0.291 0.000 2.255 779 V HA -0.367 3.712 4.120 -0.068 0.000 0.247 779 V C 2.589 178.600 176.094 -0.138 0.000 1.051 779 V CA 2.517 64.663 62.300 -0.257 0.000 1.018 779 V CB -0.854 30.819 31.823 -0.249 0.000 0.641 779 V HN 0.392 nan 8.190 nan 0.000 0.445 780 K N -0.420 119.897 120.400 -0.138 0.000 2.063 780 K HA -0.184 4.095 4.320 -0.068 0.000 0.208 780 K C 2.188 178.763 176.600 -0.042 0.000 1.048 780 K CA 1.663 57.892 56.287 -0.096 0.000 0.928 780 K CB -0.207 32.242 32.500 -0.086 0.000 0.713 780 K HN 0.400 nan 8.250 nan 0.000 0.442 781 L N -0.050 121.179 121.223 0.010 0.000 2.095 781 L HA -0.080 4.219 4.340 -0.068 0.000 0.204 781 L C 2.086 178.975 176.870 0.033 0.000 1.080 781 L CA 1.224 56.103 54.840 0.065 0.000 0.759 781 L CB -0.255 41.929 42.059 0.208 0.000 0.914 781 L HN 0.249 nan 8.230 nan 0.000 0.439 782 F N 0.688 120.509 119.950 -0.215 0.000 2.407 782 F HA 0.035 4.521 4.527 -0.068 0.000 0.299 782 F C 2.118 177.736 175.800 -0.304 0.000 1.097 782 F CA 0.794 58.614 58.000 -0.300 0.000 1.422 782 F CB -0.480 38.153 39.000 -0.613 0.000 1.067 782 F HN 0.047 nan 8.300 nan 0.000 0.539 783 G N 0.333 109.022 108.800 -0.186 0.000 2.631 783 G HA2 -0.342 3.577 3.960 -0.068 0.000 0.219 783 G HA3 -0.342 3.577 3.960 -0.068 0.000 0.219 783 G C 1.576 176.355 174.900 -0.201 0.000 1.214 783 G CA 1.250 46.257 45.100 -0.155 0.000 0.785 783 G HN 0.457 nan 8.290 nan 0.000 0.596 784 E N -0.701 119.419 120.200 -0.134 0.000 2.204 784 E HA -0.118 4.191 4.350 -0.068 0.000 0.194 784 E C 2.081 178.592 176.600 -0.148 0.000 0.989 784 E CA 0.822 57.156 56.400 -0.110 0.000 0.824 784 E CB -0.211 29.451 29.700 -0.063 0.000 0.756 784 E HN 0.659 nan 8.360 nan 0.000 0.477 785 Y N 1.583 121.683 120.300 -0.334 0.000 2.145 785 Y HA -0.205 4.304 4.550 -0.068 0.000 0.286 785 Y C 1.987 177.685 175.900 -0.337 0.000 1.145 785 Y CA 1.357 59.236 58.100 -0.368 0.000 1.148 785 Y CB -0.221 37.928 38.460 -0.519 0.000 0.981 785 Y HN -0.075 nan 8.280 nan 0.000 0.507 786 L N 0.340 121.273 121.223 -0.484 0.000 2.042 786 L HA -0.260 4.039 4.340 -0.068 0.000 0.210 786 L C 2.594 179.283 176.870 -0.301 0.000 1.076 786 L CA 1.699 56.285 54.840 -0.424 0.000 0.749 786 L CB -0.516 41.287 42.059 -0.427 0.000 0.893 786 L HN 0.300 nan 8.230 nan 0.000 0.432 787 R N -0.133 120.226 120.500 -0.235 0.000 2.090 787 R HA -0.026 4.273 4.340 -0.068 0.000 0.228 787 R C 2.312 178.508 176.300 -0.173 0.000 1.110 787 R CA 1.209 57.213 56.100 -0.161 0.000 0.973 787 R CB -0.501 29.737 30.300 -0.102 0.000 0.869 787 R HN 0.304 nan 8.270 nan 0.000 0.440 788 A N 1.991 124.707 122.820 -0.173 0.000 1.897 788 A HA -0.196 4.083 4.320 -0.068 0.000 0.215 788 A C 2.164 179.561 177.584 -0.312 0.000 1.181 788 A CA 1.365 53.324 52.037 -0.130 0.000 0.620 788 A CB -0.373 18.684 19.000 0.096 0.000 0.821 788 A HN 0.451 nan 8.150 nan 0.000 0.443 789 E N 0.194 120.181 120.200 -0.355 0.000 2.085 789 E HA -0.287 4.022 4.350 -0.068 0.000 0.194 789 E C 1.855 178.218 176.600 -0.396 0.000 0.994 789 E CA 1.668 57.778 56.400 -0.484 0.000 0.801 789 E CB -0.304 29.196 29.700 -0.333 0.000 0.743 789 E HN 0.633 nan 8.360 nan 0.000 0.453 790 N N 0.009 118.554 118.700 -0.258 0.000 2.188 790 N HA -0.128 4.571 4.740 -0.068 0.000 0.184 790 N C 1.769 177.201 175.510 -0.130 0.000 1.018 790 N CA 1.401 54.368 53.050 -0.137 0.000 0.858 790 N CB -0.105 38.329 38.487 -0.089 0.000 0.989 790 N HN 0.245 nan 8.380 nan 0.000 0.426 791 I N 0.050 120.485 120.570 -0.225 0.000 2.179 791 I HA -0.244 3.885 4.170 -0.068 0.000 0.242 791 I C 1.860 177.897 176.117 -0.134 0.000 1.088 791 I CA 0.938 62.106 61.300 -0.220 0.000 1.357 791 I CB -0.160 37.601 38.000 -0.400 0.000 1.051 791 I HN 0.203 nan 8.210 nan 0.000 0.409 792 L N -0.268 120.683 121.223 -0.453 0.000 2.275 792 L HA -0.193 4.106 4.340 -0.068 0.000 0.215 792 L C 2.443 179.154 176.870 -0.266 0.000 1.119 792 L CA 0.915 55.369 54.840 -0.643 0.000 0.790 792 L CB -0.499 40.580 42.059 -1.633 0.000 0.919 792 L HN 0.285 nan 8.230 nan 0.000 0.443 793 Q N 0.078 119.757 119.800 -0.203 0.000 2.325 793 Q HA -0.214 4.085 4.340 -0.068 0.000 0.211 793 Q C 1.328 177.372 176.000 0.073 0.000 0.988 793 Q CA 1.215 57.015 55.803 -0.004 0.000 0.887 793 Q CB -0.131 28.466 28.738 -0.234 0.000 0.915 793 Q HN 0.619 nan 8.270 nan 0.000 0.440 794 N N -0.745 118.071 118.700 0.192 0.000 2.398 794 N HA -0.019 4.680 4.740 -0.068 0.000 0.188 794 N C -0.785 174.794 175.510 0.116 0.000 1.122 794 N CA 0.316 53.479 53.050 0.190 0.000 0.866 794 N CB 0.462 39.114 38.487 0.276 0.000 0.970 794 N HN 0.155 nan 8.380 nan 0.000 0.462 795 Y N 1.111 121.497 120.300 0.144 0.000 2.331 795 Y HA 0.190 4.699 4.550 -0.068 0.000 0.338 795 Y C 1.082 177.061 175.900 0.131 0.000 0.992 795 Y CA -1.147 57.040 58.100 0.146 0.000 1.121 795 Y CB 1.174 39.753 38.460 0.198 0.000 1.184 795 Y HN -0.171 nan 8.280 nan 0.000 0.469 796 D N 1.853 122.375 120.400 0.203 0.000 2.182 796 D HA -0.159 4.440 4.640 -0.068 0.000 0.201 796 D C 1.311 177.668 176.300 0.096 0.000 0.986 796 D CA 1.444 55.556 54.000 0.186 0.000 0.847 796 D CB 0.140 41.069 40.800 0.216 0.000 0.942 796 D HN 0.706 nan 8.370 nan 0.000 0.467 797 E N -0.301 119.864 120.200 -0.059 0.000 2.150 797 E HA -0.107 4.202 4.350 -0.068 0.000 0.193 797 E C 1.685 178.144 176.600 -0.234 0.000 0.985 797 E CA 0.405 56.579 56.400 -0.377 0.000 0.814 797 E CB -0.270 28.726 29.700 -1.173 0.000 0.752 797 E HN 0.268 nan 8.360 nan 0.000 0.466 798 F N 0.836 120.699 119.950 -0.144 0.000 2.187 798 F HA 0.053 4.539 4.527 -0.068 0.000 0.295 798 F C 2.167 177.987 175.800 0.034 0.000 1.091 798 F CA 1.073 59.092 58.000 0.032 0.000 1.308 798 F CB -0.404 38.648 39.000 0.088 0.000 1.030 798 F HN 0.015 nan 8.300 nan 0.000 0.487 799 A N -0.638 122.267 122.820 0.143 0.000 1.902 799 A HA -0.174 4.105 4.320 -0.068 0.000 0.217 799 A C 2.194 179.778 177.584 -0.000 0.000 1.181 799 A CA 2.293 54.380 52.037 0.084 0.000 0.623 799 A CB -1.405 17.704 19.000 0.182 0.000 0.818 799 A HN 0.406 nan 8.150 nan 0.000 0.443 800 T N 0.118 114.675 114.554 0.004 0.000 2.684 800 T HA -0.161 4.148 4.350 -0.068 0.000 0.267 800 T C 1.852 176.485 174.700 -0.110 0.000 1.036 800 T CA 1.622 63.641 62.100 -0.135 0.000 1.148 800 T CB -0.420 68.422 68.868 -0.044 0.000 0.863 800 T HN 0.356 nan 8.240 nan 0.000 0.436 801 L N 1.148 122.291 121.223 -0.133 0.000 2.042 801 L HA -0.033 4.266 4.340 -0.068 0.000 0.210 801 L C 2.230 178.962 176.870 -0.230 0.000 1.076 801 L CA 1.848 56.597 54.840 -0.152 0.000 0.749 801 L CB -0.501 41.462 42.059 -0.160 0.000 0.893 801 L HN 0.046 nan 8.230 nan 0.000 0.432 802 K N -0.619 119.577 120.400 -0.340 0.000 2.001 802 K HA -0.088 4.191 4.320 -0.068 0.000 0.208 802 K C 2.078 178.585 176.600 -0.156 0.000 1.048 802 K CA 1.282 57.402 56.287 -0.278 0.000 0.932 802 K CB -0.435 31.881 32.500 -0.308 0.000 0.715 802 K HN 0.472 nan 8.250 nan 0.000 0.437 803 A N 2.274 125.025 122.820 -0.115 0.000 1.971 803 A HA -0.215 4.064 4.320 -0.068 0.000 0.222 803 A C 2.039 179.470 177.584 -0.255 0.000 1.182 803 A CA 1.408 53.393 52.037 -0.086 0.000 0.649 803 A CB -0.777 18.236 19.000 0.023 0.000 0.818 803 A HN 0.358 nan 8.150 nan 0.000 0.458 804 L N -0.347 120.656 121.223 -0.366 0.000 2.187 804 L HA -0.118 4.181 4.340 -0.068 0.000 0.213 804 L C 0.295 176.969 176.870 -0.326 0.000 1.100 804 L CA 1.427 55.926 54.840 -0.568 0.000 0.765 804 L CB -0.770 41.047 42.059 -0.404 0.000 0.904 804 L HN 0.462 nan 8.230 nan 0.000 0.437 805 Q N 1.058 120.740 119.800 -0.195 0.000 2.962 805 Q HA 0.006 4.305 4.340 -0.068 0.000 0.251 805 Q C 0.268 176.199 176.000 -0.114 0.000 1.380 805 Q CA 0.244 55.974 55.803 -0.120 0.000 0.926 805 Q CB 0.663 29.364 28.738 -0.063 0.000 1.704 805 Q HN 0.513 nan 8.270 nan 0.000 0.563 806 Q N -0.179 119.533 119.800 -0.146 0.000 2.631 806 Q HA 0.259 4.558 4.340 -0.068 0.000 0.220 806 Q C 1.306 177.256 176.000 -0.084 0.000 0.819 806 Q CA 0.192 55.938 55.803 -0.095 0.000 0.914 806 Q CB 0.690 29.386 28.738 -0.071 0.000 1.248 806 Q HN 0.340 nan 8.270 nan 0.000 0.629 807 I N -0.293 120.214 120.570 -0.106 0.000 3.526 807 I HA 0.190 4.319 4.170 -0.068 0.000 0.294 807 I C -0.020 176.061 176.117 -0.060 0.000 1.229 807 I CA 0.748 61.982 61.300 -0.110 0.000 1.408 807 I CB 0.480 38.358 38.000 -0.202 0.000 1.127 807 I HN 0.204 nan 8.210 nan 0.000 0.439 808 D N -1.285 119.087 120.400 -0.048 0.000 2.970 808 D HA 0.453 5.052 4.640 -0.068 0.000 0.344 808 D C -0.606 175.677 176.300 -0.028 0.000 1.365 808 D CA -0.176 53.796 54.000 -0.047 0.000 0.910 808 D CB 1.026 41.786 40.800 -0.067 0.000 1.445 808 D HN -0.141 nan 8.370 nan 0.000 0.532 809 L N -0.037 121.172 121.223 -0.023 0.000 2.418 809 L HA 0.622 4.921 4.340 -0.068 0.000 0.265 809 L C 1.428 178.293 176.870 -0.009 0.000 1.143 809 L CA 0.381 55.212 54.840 -0.015 0.000 0.809 809 L CB 0.680 42.731 42.059 -0.012 0.000 1.124 809 L HN 0.479 nan 8.230 nan 0.000 0.456 810 S N -0.088 115.610 115.700 -0.004 0.000 2.496 810 S HA 0.100 4.529 4.470 -0.068 0.000 0.224 810 S C 1.220 175.821 174.600 0.002 0.000 0.996 810 S CA 1.186 59.386 58.200 0.000 0.000 0.927 810 S CB -0.514 62.688 63.200 0.004 0.000 0.774 810 S HN 1.204 nan 8.310 nan 0.000 0.524 811 D N 1.575 121.975 120.400 0.000 0.000 2.722 811 D HA 0.367 4.966 4.640 -0.068 0.000 0.239 811 D C -1.662 174.643 176.300 0.008 0.000 1.249 811 D CA -0.682 53.319 54.000 0.001 0.000 0.830 811 D CB -0.088 40.709 40.800 -0.005 0.000 1.025 811 D HN 0.487 nan 8.370 nan 0.000 0.486 812 P HA 0.385 nan 4.420 nan 0.000 0.295 812 P C 1.773 179.092 177.300 0.031 0.000 1.274 812 P CA 1.306 64.419 63.100 0.021 0.000 0.943 812 P CB 1.387 33.097 31.700 0.018 0.000 1.462 813 V N 0.045 119.974 119.914 0.026 0.000 0.558 813 V HA -0.382 3.697 4.120 -0.068 0.000 0.092 813 V C 1.701 177.814 176.094 0.032 0.000 2.022 813 V CA 3.764 66.077 62.300 0.023 0.000 3.478 813 V CB -2.355 nan 31.823 nan 0.000 0.770 813 V HN 0.510 nan 8.190 nan 0.000 0.801 814 A N -4.035 118.812 122.820 0.044 0.000 2.631 814 A HA 0.530 4.809 4.320 -0.068 0.000 0.179 814 A C 1.441 179.084 177.584 0.098 0.000 1.492 814 A CA 1.524 53.599 52.037 0.063 0.000 1.077 814 A CB 0.015 19.041 19.000 0.043 0.000 1.249 814 A HN 1.878 nan 8.150 nan 0.000 0.466 815 V N 1.319 121.278 119.914 0.075 0.000 2.248 815 V HA -0.413 3.666 4.120 -0.068 0.000 0.254 815 V C 2.526 178.726 176.094 0.177 0.000 1.050 815 V CA 2.732 65.109 62.300 0.129 0.000 1.063 815 V CB -0.693 31.177 31.823 0.077 0.000 0.688 815 V HN 0.623 nan 8.190 nan 0.000 0.474 816 E N -0.548 119.713 120.200 0.102 0.000 2.130 816 E HA -0.252 4.057 4.350 -0.068 0.000 0.196 816 E C 2.219 178.858 176.600 0.064 0.000 0.998 816 E CA 1.393 57.837 56.400 0.073 0.000 0.806 816 E CB -0.355 29.371 29.700 0.043 0.000 0.738 816 E HN 0.578 nan 8.360 nan 0.000 0.459 817 K N -0.197 120.250 120.400 0.079 0.000 2.097 817 K HA -0.153 4.126 4.320 -0.068 0.000 0.206 817 K C 2.094 178.753 176.600 0.097 0.000 1.049 817 K CA 1.110 57.436 56.287 0.065 0.000 0.933 817 K CB -0.187 32.356 32.500 0.071 0.000 0.717 817 K HN 0.098 nan 8.250 nan 0.000 0.442 818 F N 1.448 121.416 119.950 0.031 0.000 2.234 818 F HA -0.037 4.449 4.527 -0.068 0.000 0.296 818 F C 1.801 177.672 175.800 0.119 0.000 1.089 818 F CA 1.072 59.134 58.000 0.105 0.000 1.343 818 F CB 0.061 39.108 39.000 0.077 0.000 1.040 818 F HN -0.171 nan 8.300 nan 0.000 0.498 819 K N 0.618 120.948 120.400 -0.117 0.000 2.063 819 K HA -0.160 4.119 4.320 -0.068 0.000 0.208 819 K C 2.299 178.745 176.600 -0.257 0.000 1.048 819 K CA 1.382 57.530 56.287 -0.232 0.000 0.928 819 K CB -0.582 31.911 32.500 -0.010 0.000 0.713 819 K HN 0.393 nan 8.250 nan 0.000 0.442 820 A N 1.272 123.979 122.820 -0.189 0.000 1.930 820 A HA -0.168 4.111 4.320 -0.068 0.000 0.217 820 A C 1.849 179.149 177.584 -0.473 0.000 1.175 820 A CA 1.373 53.285 52.037 -0.208 0.000 0.627 820 A CB -0.234 18.699 19.000 -0.112 0.000 0.815 820 A HN 0.283 nan 8.150 nan 0.000 0.443 821 E N -1.523 118.363 120.200 -0.522 0.000 2.230 821 E HA -0.078 4.231 4.350 -0.068 0.000 0.192 821 E C 0.676 176.577 176.600 -1.165 0.000 0.987 821 E CA 0.707 56.654 56.400 -0.754 0.000 0.841 821 E CB 0.022 29.392 29.700 -0.550 0.000 0.783 821 E HN 0.849 nan 8.360 nan 0.000 0.481 822 H N -1.618 117.011 119.070 -0.735 0.000 2.528 822 H HA 0.146 4.661 4.556 -0.068 0.000 0.282 822 H C -0.935 174.211 175.328 -0.304 0.000 1.097 822 H CA -0.275 55.478 56.048 -0.492 0.000 1.121 822 H CB -0.036 29.415 29.762 -0.518 0.000 1.590 822 H HN 0.097 nan 8.280 nan 0.000 0.553 823 Y N -0.944 119.309 120.300 -0.078 0.000 3.108 823 Y HA -0.234 4.275 4.550 -0.068 0.000 0.208 823 Y C -0.496 175.373 175.900 -0.052 0.000 1.245 823 Y CA -0.212 57.859 58.100 -0.049 0.000 1.171 823 Y CB -2.309 36.142 38.460 -0.015 0.000 1.331 823 Y HN 0.080 nan 8.280 nan 0.000 0.534 824 V N 0.646 120.544 119.914 -0.027 0.000 2.581 824 V HA 0.308 4.387 4.120 -0.068 0.000 0.303 824 V C 0.513 176.612 176.094 0.008 0.000 1.041 824 V CA -1.140 61.147 62.300 -0.021 0.000 0.907 824 V CB 1.924 33.682 31.823 -0.107 0.000 0.994 824 V HN 0.184 nan 8.190 nan 0.000 0.442 825 D N 2.066 122.486 120.400 0.034 0.000 2.371 825 D HA 0.094 4.693 4.640 -0.068 0.000 0.242 825 D C 0.516 176.846 176.300 0.049 0.000 1.218 825 D CA -0.086 53.938 54.000 0.039 0.000 0.945 825 D CB 1.076 41.900 40.800 0.039 0.000 1.137 825 D HN 0.582 nan 8.370 nan 0.000 0.464 826 D N 0.102 120.529 120.400 0.044 0.000 2.123 826 D HA -0.112 4.487 4.640 -0.068 0.000 0.200 826 D C 1.622 177.950 176.300 0.047 0.000 0.976 826 D CA 0.743 54.772 54.000 0.048 0.000 0.831 826 D CB 0.141 40.963 40.800 0.037 0.000 0.974 826 D HN 0.316 nan 8.370 nan 0.000 0.469 827 E N 0.674 120.898 120.200 0.040 0.000 2.110 827 E HA -0.287 4.022 4.350 -0.068 0.000 0.225 827 E C 1.954 178.584 176.600 0.051 0.000 1.063 827 E CA 1.441 57.866 56.400 0.041 0.000 0.906 827 E CB -0.298 29.424 29.700 0.037 0.000 0.795 827 E HN 0.220 nan 8.360 nan 0.000 0.479 828 K N -0.766 119.667 120.400 0.056 0.000 2.228 828 K HA -0.055 4.224 4.320 -0.068 0.000 0.202 828 K C 2.224 178.875 176.600 0.085 0.000 1.051 828 K CA 1.150 57.476 56.287 0.065 0.000 0.960 828 K CB -0.253 32.282 32.500 0.058 0.000 0.743 828 K HN 0.176 nan 8.250 nan 0.000 0.458 829 F N -0.022 119.987 119.950 0.098 0.000 2.604 829 F HA 0.290 4.776 4.527 -0.068 0.000 0.298 829 F C 2.038 177.893 175.800 0.091 0.000 1.131 829 F CA 1.016 59.097 58.000 0.137 0.000 1.457 829 F CB -0.718 38.383 39.000 0.168 0.000 1.095 829 F HN 0.352 nan 8.300 nan 0.000 0.574 830 A N -0.441 122.421 122.820 0.070 0.000 2.140 830 A HA 0.393 4.672 4.320 -0.068 0.000 0.209 830 A C 1.926 179.540 177.584 0.051 0.000 1.181 830 A CA 1.345 53.413 52.037 0.052 0.000 0.824 830 A CB -0.999 18.027 19.000 0.044 0.000 0.879 830 A HN 0.672 nan 8.150 nan 0.000 0.480 831 E N 0.612 120.847 120.200 0.058 0.000 2.038 831 E HA -0.137 4.172 4.350 -0.068 0.000 0.195 831 E C 1.757 178.399 176.600 0.069 0.000 1.000 831 E CA 1.549 57.987 56.400 0.064 0.000 0.803 831 E CB -1.099 28.643 29.700 0.070 0.000 0.750 831 E HN 0.571 nan 8.360 nan 0.000 0.448 832 L N -0.036 121.233 121.223 0.077 0.000 2.642 832 L HA -0.098 4.201 4.340 -0.068 0.000 0.236 832 L C 2.632 179.531 176.870 0.049 0.000 1.169 832 L CA 1.312 56.198 54.840 0.076 0.000 0.851 832 L CB 0.118 42.233 42.059 0.093 0.000 0.968 832 L HN 0.454 nan 8.230 nan 0.000 0.453 833 Q N -1.240 118.585 119.800 0.042 0.000 2.171 833 Q HA 0.097 4.396 4.340 -0.068 0.000 0.218 833 Q C -0.283 175.728 176.000 0.018 0.000 0.822 833 Q CA 0.063 55.877 55.803 0.017 0.000 0.987 833 Q CB 1.003 29.751 28.738 0.017 0.000 1.144 833 Q HN 0.090 nan 8.270 nan 0.000 0.494 834 T N 0.742 115.315 114.554 0.032 0.000 3.176 834 T HA 0.378 4.687 4.350 -0.068 0.000 0.337 834 T C -0.742 173.991 174.700 0.055 0.000 0.957 834 T CA -0.429 61.693 62.100 0.038 0.000 1.092 834 T CB 0.303 69.190 68.868 0.032 0.000 1.018 834 T HN 0.155 nan 8.240 nan 0.000 0.473 835 I N 3.203 123.815 120.570 0.070 0.000 2.648 835 I HA 0.285 4.414 4.170 -0.068 0.000 0.284 835 I C 1.016 177.184 176.117 0.085 0.000 1.153 835 I CA 0.026 61.381 61.300 0.092 0.000 1.426 835 I CB 0.478 38.552 38.000 0.123 0.000 1.381 835 I HN 0.209 nan 8.210 nan 0.000 0.571 836 R N 6.274 126.833 120.500 0.098 0.000 2.393 836 R HA 0.669 4.968 4.340 -0.068 0.000 0.310 836 R C -0.949 175.433 176.300 0.137 0.000 0.968 836 R CA -0.798 55.358 56.100 0.094 0.000 0.867 836 R CB 1.369 31.715 30.300 0.077 0.000 1.124 836 R HN 0.545 nan 8.270 nan 0.000 0.450 837 L N 3.612 124.916 121.223 0.135 0.000 2.303 837 L HA 0.584 4.883 4.340 -0.068 0.000 0.266 837 L C -1.894 175.073 176.870 0.161 0.000 1.011 837 L CA -2.111 52.845 54.840 0.193 0.000 0.818 837 L CB 2.109 44.289 42.059 0.200 0.000 1.326 837 L HN 0.437 nan 8.230 nan 0.000 0.435 838 P HA 0.256 nan 4.420 nan 0.000 0.284 838 P C -0.817 176.571 177.300 0.146 0.000 1.253 838 P CA -0.436 62.761 63.100 0.160 0.000 0.800 838 P CB 1.250 33.062 31.700 0.186 0.000 0.961 839 A N 2.736 125.614 122.820 0.096 0.000 2.586 839 A HA -0.054 4.225 4.320 -0.068 0.000 0.231 839 A C 1.380 179.021 177.584 0.095 0.000 1.055 839 A CA 0.221 52.302 52.037 0.073 0.000 0.756 839 A CB -0.300 18.721 19.000 0.035 0.000 0.988 839 A HN 0.624 nan 8.150 nan 0.000 0.509 840 D N 1.186 121.640 120.400 0.090 0.000 2.157 840 D HA -0.256 4.343 4.640 -0.068 0.000 0.191 840 D C 1.985 178.335 176.300 0.082 0.000 1.004 840 D CA 2.256 56.317 54.000 0.102 0.000 0.854 840 D CB -0.093 40.747 40.800 0.067 0.000 0.936 840 D HN 0.780 nan 8.370 nan 0.000 0.446 841 R N 1.554 122.077 120.500 0.038 0.000 2.075 841 R HA -0.064 4.235 4.340 -0.068 0.000 0.232 841 R C 2.003 178.283 176.300 -0.033 0.000 1.126 841 R CA 1.583 57.687 56.100 0.007 0.000 0.963 841 R CB -0.530 29.763 30.300 -0.012 0.000 0.858 841 R HN 0.004 nan 8.270 nan 0.000 0.435 842 K N 0.067 120.435 120.400 -0.053 0.000 2.044 842 K HA -0.101 4.178 4.320 -0.068 0.000 0.210 842 K C 1.929 178.435 176.600 -0.156 0.000 1.049 842 K CA 1.840 58.025 56.287 -0.172 0.000 0.927 842 K CB -0.136 32.306 32.500 -0.096 0.000 0.713 842 K HN 0.176 nan 8.250 nan 0.000 0.443 843 I N 1.722 122.341 120.570 0.083 0.000 2.179 843 I HA -0.294 3.835 4.170 -0.068 0.000 0.242 843 I C 2.334 178.574 176.117 0.204 0.000 1.088 843 I CA 1.644 63.089 61.300 0.242 0.000 1.357 843 I CB -1.421 36.767 38.000 0.313 0.000 1.051 843 I HN 0.326 nan 8.210 nan 0.000 0.409 844 Q N 0.650 120.536 119.800 0.144 0.000 2.170 844 Q HA -0.202 4.097 4.340 -0.068 0.000 0.203 844 Q C 1.600 177.630 176.000 0.049 0.000 0.976 844 Q CA 1.630 57.515 55.803 0.136 0.000 0.858 844 Q CB -0.469 28.337 28.738 0.113 0.000 0.907 844 Q HN 0.355 nan 8.270 nan 0.000 0.433 845 D N 0.239 120.602 120.400 -0.061 0.000 2.104 845 D HA -0.157 4.442 4.640 -0.068 0.000 0.194 845 D C 1.510 177.707 176.300 -0.172 0.000 0.994 845 D CA 1.195 55.100 54.000 -0.158 0.000 0.830 845 D CB -0.249 40.377 40.800 -0.290 0.000 0.959 845 D HN 0.301 nan 8.370 nan 0.000 0.452 846 Y N 0.678 120.872 120.300 -0.176 0.000 2.163 846 Y HA -0.028 4.481 4.550 -0.068 0.000 0.288 846 Y C 2.525 178.186 175.900 -0.398 0.000 1.136 846 Y CA 0.771 58.641 58.100 -0.384 0.000 1.147 846 Y CB -0.498 37.553 38.460 -0.681 0.000 0.987 846 Y HN -0.128 nan 8.280 nan 0.000 0.509 847 R N 0.242 120.720 120.500 -0.038 0.000 2.096 847 R HA -0.208 4.091 4.340 -0.068 0.000 0.240 847 R C 2.276 178.714 176.300 0.229 0.000 1.139 847 R CA 2.309 58.524 56.100 0.193 0.000 0.952 847 R CB -0.303 30.201 30.300 0.340 0.000 0.854 847 R HN 0.452 nan 8.270 nan 0.000 0.436 848 S N -0.153 115.642 115.700 0.159 0.000 2.414 848 S HA 0.024 4.453 4.470 -0.068 0.000 0.227 848 S C 2.108 176.796 174.600 0.147 0.000 1.022 848 S CA 0.629 58.917 58.200 0.146 0.000 0.958 848 S CB -0.057 63.201 63.200 0.096 0.000 0.797 848 S HN 0.457 nan 8.310 nan 0.000 0.493 849 A N 1.323 124.232 122.820 0.148 0.000 1.902 849 A HA -0.076 4.203 4.320 -0.068 0.000 0.217 849 A C 2.009 179.779 177.584 0.311 0.000 1.181 849 A CA 1.585 53.737 52.037 0.192 0.000 0.623 849 A CB -1.200 17.902 19.000 0.170 0.000 0.818 849 A HN 0.562 nan 8.150 nan 0.000 0.443 850 Y N 1.061 121.485 120.300 0.205 0.000 2.128 850 Y HA -0.286 4.223 4.550 -0.068 0.000 0.284 850 Y C 2.309 178.327 175.900 0.195 0.000 1.154 850 Y CA 2.278 60.456 58.100 0.128 0.000 1.149 850 Y CB -0.517 37.962 38.460 0.032 0.000 0.976 850 Y HN 0.452 nan 8.280 nan 0.000 0.505 851 N N 0.110 118.970 118.700 0.266 0.000 2.043 851 N HA -0.220 4.479 4.740 -0.068 0.000 0.193 851 N C 1.480 177.011 175.510 0.035 0.000 1.037 851 N CA 1.866 54.980 53.050 0.107 0.000 0.851 851 N CB -0.522 38.053 38.487 0.147 0.000 1.027 851 N HN 0.313 nan 8.380 nan 0.000 0.422 852 D N 0.007 120.455 120.400 0.080 0.000 2.370 852 D HA -0.235 4.364 4.640 -0.068 0.000 0.190 852 D C 1.823 178.173 176.300 0.084 0.000 1.019 852 D CA 1.495 55.534 54.000 0.065 0.000 0.869 852 D CB -0.409 40.432 40.800 0.068 0.000 0.944 852 D HN 0.426 nan 8.370 nan 0.000 0.456 853 I N -0.448 120.197 120.570 0.125 0.000 2.500 853 I HA -0.107 4.022 4.170 -0.068 0.000 0.252 853 I C 2.493 178.713 176.117 0.173 0.000 1.142 853 I CA 0.331 61.790 61.300 0.265 0.000 1.451 853 I CB -0.048 38.163 38.000 0.352 0.000 1.093 853 I HN -0.047 nan 8.210 nan 0.000 0.430 854 R N 1.087 121.495 120.500 -0.154 0.000 2.075 854 R HA -0.189 4.110 4.340 -0.068 0.000 0.232 854 R C 1.643 177.693 176.300 -0.418 0.000 1.126 854 R CA 1.942 57.617 56.100 -0.708 0.000 0.963 854 R CB -0.107 29.544 30.300 -1.082 0.000 0.858 854 R HN 0.214 nan 8.270 nan 0.000 0.435 855 D N -0.625 119.659 120.400 -0.193 0.000 2.178 855 D HA -0.182 4.417 4.640 -0.068 0.000 0.201 855 D C 1.199 177.463 176.300 -0.060 0.000 0.980 855 D CA 0.995 54.924 54.000 -0.119 0.000 0.842 855 D CB -0.262 40.512 40.800 -0.043 0.000 0.948 855 D HN 0.475 nan 8.370 nan 0.000 0.472 856 W N 0.906 122.081 121.300 -0.207 0.000 3.047 856 W HA 0.057 4.676 4.660 -0.068 0.000 0.250 856 W C 1.500 177.859 176.519 -0.268 0.000 1.314 856 W CA 0.231 57.461 57.345 -0.192 0.000 1.540 856 W CB 0.269 29.640 29.460 -0.148 0.000 1.127 856 W HN -0.201 nan 8.180 nan 0.000 0.679 857 Q N 0.315 119.792 119.800 -0.538 0.000 2.297 857 Q HA 0.054 4.353 4.340 -0.068 0.000 0.203 857 Q C 2.113 177.810 176.000 -0.504 0.000 0.931 857 Q CA 0.820 56.173 55.803 -0.751 0.000 0.885 857 Q CB -0.387 27.967 28.738 -0.640 0.000 0.991 857 Q HN 0.402 nan 8.270 nan 0.000 0.498 858 R N 0.595 120.868 120.500 -0.378 0.000 2.185 858 R HA -0.149 4.150 4.340 -0.068 0.000 0.247 858 R C 2.001 178.140 176.300 -0.269 0.000 1.159 858 R CA 1.108 57.040 56.100 -0.280 0.000 0.988 858 R CB -0.202 29.968 30.300 -0.216 0.000 0.871 858 R HN 0.087 nan 8.270 nan 0.000 0.458 859 R N -0.126 120.183 120.500 -0.319 0.000 2.328 859 R HA -0.138 4.161 4.340 -0.068 0.000 0.207 859 R C 1.092 177.255 176.300 -0.228 0.000 1.056 859 R CA 1.104 57.060 56.100 -0.241 0.000 1.016 859 R CB 0.221 30.405 30.300 -0.194 0.000 0.872 859 R HN 0.071 nan 8.270 nan 0.000 0.471 860 E N -2.335 117.701 120.200 -0.272 0.000 2.756 860 E HA 0.146 4.455 4.350 -0.068 0.000 0.218 860 E C 0.275 176.718 176.600 -0.261 0.000 1.042 860 E CA 1.482 57.669 56.400 -0.355 0.000 1.713 860 E CB 0.566 29.886 29.700 -0.633 0.000 2.443 860 E HN 0.048 nan 8.360 nan 0.000 1.080 861 K N -0.945 119.324 120.400 -0.218 0.000 7.500 861 K HA -0.192 4.087 4.320 -0.068 0.000 0.206 861 K C 0.975 177.487 176.600 -0.145 0.000 1.458 861 K CA 2.391 58.557 56.287 -0.201 0.000 0.905 861 K CB -2.640 nan 32.500 nan 0.000 0.488 861 K HN 0.696 nan 8.250 nan 0.000 0.528 871 T N 0.621 115.256 114.554 0.134 0.000 2.754 871 T HA 0.520 4.829 4.350 -0.068 0.000 0.286 871 T C -0.774 173.977 174.700 0.084 0.000 0.997 871 T CA 0.640 62.781 62.100 0.067 0.000 0.982 871 T CB 1.039 69.912 68.868 0.008 0.000 1.027 871 T HN 0.734 nan 8.240 nan 0.000 0.529 872 D N -0.164 120.199 120.400 -0.062 0.000 2.549 872 D HA 0.297 4.896 4.640 -0.068 0.000 0.251 872 D C -0.947 175.293 176.300 -0.099 0.000 1.153 872 D CA -0.808 53.191 54.000 -0.003 0.000 0.861 872 D CB 0.789 41.585 40.800 -0.006 0.000 1.207 872 D HN 0.716 nan 8.370 nan 0.000 0.543 873 W N 2.081 123.382 121.300 0.002 0.000 3.127 873 W HA 0.172 4.791 4.660 -0.069 0.000 0.344 873 W C 1.340 177.850 176.519 -0.016 0.000 1.151 873 W CA -0.303 57.040 57.345 -0.005 0.000 1.765 873 W CB 0.674 30.128 29.460 -0.011 0.000 1.085 873 W HN 0.383 nan 8.180 nan 0.000 0.596 874 D N 0.837 121.324 120.400 0.145 0.000 2.158 874 D HA -0.210 4.389 4.640 -0.068 0.000 0.197 874 D C 1.670 178.000 176.300 0.050 0.000 0.995 874 D CA 1.934 55.984 54.000 0.084 0.000 0.846 874 D CB -0.391 40.435 40.800 0.044 0.000 0.941 874 D HN 0.365 nan 8.370 nan 0.000 0.456 875 D N -0.100 120.308 120.400 0.012 0.000 2.360 875 D HA -0.035 4.564 4.640 -0.068 0.000 0.210 875 D C 0.527 176.804 176.300 -0.039 0.000 1.047 875 D CA -0.060 53.928 54.000 -0.019 0.000 0.854 875 D CB 0.175 40.951 40.800 -0.039 0.000 0.936 875 D HN -0.038 nan 8.370 nan 0.000 0.514 876 V N 1.665 121.562 119.914 -0.028 0.000 2.585 876 V HA 0.079 4.158 4.120 -0.068 0.000 0.296 876 V C 0.371 176.426 176.094 -0.065 0.000 1.035 876 V CA -0.251 61.998 62.300 -0.086 0.000 1.084 876 V CB 1.466 33.245 31.823 -0.073 0.000 0.953 876 V HN -0.008 nan 8.190 nan 0.000 0.483 877 V N 5.983 125.824 119.914 -0.122 0.000 2.555 877 V HA 0.498 4.577 4.120 -0.068 0.000 0.302 877 V C -0.435 175.609 176.094 -0.084 0.000 1.038 877 V CA -0.663 61.604 62.300 -0.055 0.000 0.887 877 V CB 1.646 33.425 31.823 -0.073 0.000 0.991 877 V HN 0.608 nan 8.190 nan 0.000 0.434 878 F N 1.704 121.668 119.950 0.024 0.000 2.404 878 F HA 0.421 4.907 4.527 -0.069 0.000 0.339 878 F C 1.107 176.973 175.800 0.109 0.000 1.105 878 F CA -0.534 57.508 58.000 0.070 0.000 1.087 878 F CB 1.410 40.386 39.000 -0.039 0.000 1.143 878 F HN 0.421 nan 8.300 nan 0.000 0.491 879 E N 3.286 123.728 120.200 0.402 0.000 2.323 879 E HA 0.027 4.336 4.350 -0.068 0.000 0.313 879 E C 1.285 178.011 176.600 0.210 0.000 1.236 879 E CA 0.131 56.661 56.400 0.217 0.000 1.333 879 E CB -0.158 29.603 29.700 0.102 0.000 1.138 879 E HN 0.483 nan 8.360 nan 0.000 0.492 880 V N 1.446 121.464 119.914 0.174 0.000 2.261 880 V HA -0.291 3.788 4.120 -0.068 0.000 0.246 880 V C 1.595 177.744 176.094 0.091 0.000 1.047 880 V CA 1.884 64.261 62.300 0.129 0.000 1.015 880 V CB -0.131 31.749 31.823 0.096 0.000 0.642 880 V HN 0.376 nan 8.190 nan 0.000 0.446 881 D N 0.014 120.458 120.400 0.074 0.000 2.104 881 D HA -0.165 4.434 4.640 -0.068 0.000 0.194 881 D C 2.139 178.458 176.300 0.032 0.000 0.994 881 D CA 1.378 55.410 54.000 0.054 0.000 0.830 881 D CB -0.336 40.496 40.800 0.052 0.000 0.959 881 D HN 0.339 nan 8.370 nan 0.000 0.452 882 L N 0.425 121.661 121.223 0.022 0.000 1.994 882 L HA -0.143 4.156 4.340 -0.068 0.000 0.208 882 L C 2.723 179.569 176.870 -0.039 0.000 1.071 882 L CA 0.682 55.507 54.840 -0.024 0.000 0.745 882 L CB -0.432 41.598 42.059 -0.047 0.000 0.892 882 L HN 0.053 nan 8.230 nan 0.000 0.431 883 L N -0.142 121.106 121.223 0.041 0.000 1.997 883 L HA -0.335 3.964 4.340 -0.068 0.000 0.216 883 L C 2.781 179.664 176.870 0.021 0.000 1.074 883 L CA 1.787 56.675 54.840 0.080 0.000 0.763 883 L CB -0.413 41.768 42.059 0.203 0.000 0.890 883 L HN 0.327 nan 8.230 nan 0.000 0.434 884 K N -0.374 120.044 120.400 0.030 0.000 2.097 884 K HA -0.182 4.097 4.320 -0.068 0.000 0.206 884 K C 2.081 178.673 176.600 -0.014 0.000 1.049 884 K CA 1.535 57.836 56.287 0.023 0.000 0.933 884 K CB -0.082 32.437 32.500 0.031 0.000 0.717 884 K HN 0.392 nan 8.250 nan 0.000 0.442 885 S N 0.089 115.755 115.700 -0.056 0.000 2.520 885 S HA -0.198 4.231 4.470 -0.068 0.000 0.249 885 S C 1.330 175.828 174.600 -0.170 0.000 0.983 885 S CA 1.282 59.421 58.200 -0.103 0.000 0.958 885 S CB -0.008 63.123 63.200 -0.115 0.000 0.750 885 S HN 0.413 nan 8.310 nan 0.000 0.527 886 Q N -0.547 119.143 119.800 -0.184 0.000 1.936 886 Q HA 0.128 4.427 4.340 -0.068 0.000 0.196 886 Q C 0.838 176.853 176.000 0.026 0.000 0.792 886 Q CA 0.247 55.743 55.803 -0.512 0.000 0.972 886 Q CB 0.593 28.943 28.738 -0.647 0.000 1.235 886 Q HN 0.902 nan 8.270 nan 0.000 0.419 887 E N 0.133 120.411 120.200 0.130 0.000 2.473 887 E HA 0.123 4.432 4.350 -0.068 0.000 0.204 887 E C 0.136 176.862 176.600 0.210 0.000 0.994 887 E CA -0.078 56.422 56.400 0.166 0.000 0.945 887 E CB 0.057 29.819 29.700 0.104 0.000 0.990 887 E HN 0.344 nan 8.360 nan 0.000 0.493 888 I N 3.452 124.170 120.570 0.247 0.000 6.399 888 I HA -0.351 3.778 4.170 -0.068 0.000 0.126 888 I C -0.574 175.680 176.117 0.227 0.000 1.513 888 I CA 0.496 61.952 61.300 0.261 0.000 2.479 888 I CB -1.991 36.168 38.000 0.266 0.000 2.875 888 I HN 0.378 nan 8.210 nan 0.000 0.285 889 N N 3.791 122.612 118.700 0.202 0.000 2.408 889 N HA 0.341 5.040 4.740 -0.068 0.000 0.260 889 N C 0.788 176.393 175.510 0.158 0.000 1.242 889 N CA -0.807 52.334 53.050 0.151 0.000 0.959 889 N CB 0.696 39.253 38.487 0.116 0.000 1.201 889 N HN 0.154 nan 8.380 nan 0.000 0.511 890 L N -0.030 121.254 121.223 0.103 0.000 2.131 890 L HA -0.141 4.158 4.340 -0.068 0.000 0.210 890 L C 1.766 178.680 176.870 0.074 0.000 1.092 890 L CA 1.753 56.637 54.840 0.073 0.000 0.759 890 L CB -1.673 40.414 42.059 0.047 0.000 0.903 890 L HN 0.845 nan 8.230 nan 0.000 0.435 891 D N -1.090 119.366 120.400 0.093 0.000 2.106 891 D HA -0.268 4.331 4.640 -0.068 0.000 0.191 891 D C 1.274 177.652 176.300 0.130 0.000 0.997 891 D CA 1.044 55.101 54.000 0.095 0.000 0.834 891 D CB -0.120 40.740 40.800 0.100 0.000 0.956 891 D HN 0.204 nan 8.370 nan 0.000 0.448 892 Y N 0.000 120.321 120.300 0.034 0.000 2.660 892 Y HA 0.000 4.509 4.550 -0.068 0.000 0.201 892 Y CA 0.000 58.121 58.100 0.035 0.000 1.940 892 Y CB 0.000 38.489 38.460 0.049 0.000 1.050 892 Y HN 0.000 nan 8.280 nan 0.000 0.758