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 2fhf_1_A DATA FIRST_RESID 32 DATA SEQUENCE DVVVRLPDVA VPGEAVQASA RQAVIHLVDI AGITSSTPAD YATKNLYLWN DATA SEQUENCE NETcDALSAP VADWNDVSTT PTGSDKYGPY WVIPLTKESG cINVIVRDGT DATA SEQUENCE NKLIDSDLRV SFSDFTDRTV SVIAGNSAVY DSRADAFRAA FGVALADAHW DATA SEQUENCE VDKTTLLWPG GENKPIVRLY YSHSSKVAAD SNGEFSDKYV KLTPTTVNQQ DATA SEQUENCE VSMRFPHLAS YPAFKLPDDV NVDELLQGET VAIAAESDGI LSSATQVQTA DATA SEQUENCE GVLDDTYAAA AEALSYGAQL TDSGVTFRVW APTAQQVELV IYSADKKVIA DATA SEQUENCE SHPMTRDSAS GAWSWQGGSD LKGAFYRYAM TVYHPQSRKV EQYEVTDPYA DATA SEQUENCE HSLSTNSEYS QVVDLNDSAL KPEGWDGLTM PHAQKTKADL AKMTIHESHI DATA SEQUENCE RDLSAWDQTV PAELRGKYLA LTAQESNMVQ HLKQLSASGV THIELLPVFD DATA SEQUENCE LATVNEFSDK VADIQQPFSR LcEVNSAVKS SEFAGYcDSG STVEEVLTQL DATA SEQUENCE KQNDSKDNPQ VQALNTLVAQ TDSYNWGYDP FHYTVPEGSY ATDPEGTARI DATA SEQUENCE KEFRTMIQAI KQDLGMNVIM DVVYNHTNAA GPTDRTSVLD KIVPWYYQRL DATA SEQUENCE NETTGSVESA TCCSDSAPEH RMFAKLIADS LAVWTTDYKI DGFRFDLMLY DATA SEQUENCE HPKAQILSAW ERIKALNPDI YFFGEGWDSN QSDRFEIASQ INLKGTGIGT DATA SEQUENCE FSDRLRDAVR GGGPFDSGDA LRQNQGVGSG AGVLPNELTT LSDDQARHLA DATA SEQUENCE DLTRLGMAGN LADFVLIDKD GAVKRGSEID YNGAPGGYAA DPTEVVNYVS DATA SEQUENCE KHDNQTLWDM ISYKAAQEAD LDTRVRMQAV SLATVMLGQG IAFDQQGSEL DATA SEQUENCE LRSKSFTRDS YDSGDWFNRV DYSLQDNNYN VGMPRSSDDG SNYDIIARVK DATA SEQUENCE DAVATPGETE LKQMTAFYQE LTALRKSSPL FTLGDGATVM KRVDFRNTGA DATA SEQUENCE DQQTGLLVMT IDDGMQAGAS LDSRVDGIVV AINAAPESRT LQDFAGTSLQ DATA SEQUENCE LSAIQQAAGD RSLASGVQVA ADGSVTLPAW SVAVLELPQG ESQGAGLPVS DATA SEQUENCE SK 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 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.344 176.300 0.073 0.000 2.045 32 D CA 0.000 54.049 54.000 0.082 0.000 0.868 32 D CB 0.000 40.885 40.800 0.142 0.000 0.688 33 V N -0.335 119.608 119.914 0.049 0.000 2.763 33 V HA 0.299 4.419 4.120 -0.000 0.000 0.306 33 V C 0.645 176.763 176.094 0.040 0.000 1.059 33 V CA -0.383 61.940 62.300 0.039 0.000 1.138 33 V CB 0.844 32.682 31.823 0.024 0.000 0.940 33 V HN 0.268 nan 8.190 nan 0.000 0.489 34 V N 5.129 125.073 119.914 0.051 0.000 2.555 34 V HA 0.163 4.282 4.120 -0.000 0.000 0.286 34 V C 0.557 176.682 176.094 0.051 0.000 1.044 34 V CA -0.269 62.071 62.300 0.067 0.000 1.026 34 V CB 1.224 33.095 31.823 0.081 0.000 0.981 34 V HN 0.799 nan 8.190 nan 0.000 0.480 35 V N 7.237 127.181 119.914 0.050 0.000 2.555 35 V HA 0.430 4.549 4.120 -0.000 0.000 0.286 35 V C 0.433 176.606 176.094 0.132 0.000 1.044 35 V CA -0.131 62.176 62.300 0.012 0.000 1.026 35 V CB 0.660 32.388 31.823 -0.158 0.000 0.981 35 V HN 1.068 nan 8.190 nan 0.000 0.480 36 R N 4.248 124.809 120.500 0.102 0.000 2.817 36 R HA 0.749 5.089 4.340 -0.000 0.000 0.268 36 R C -1.485 174.879 176.300 0.107 0.000 1.027 36 R CA -1.109 55.077 56.100 0.144 0.000 0.928 36 R CB 1.388 31.727 30.300 0.066 0.000 1.228 36 R HN 0.430 nan 8.270 nan 0.000 0.469 37 L N 0.735 122.017 121.223 0.098 0.000 2.439 37 L HA 0.423 4.763 4.340 -0.000 0.000 0.261 37 L C -1.967 174.859 176.870 -0.074 0.000 1.153 37 L CA -2.342 52.511 54.840 0.023 0.000 0.808 37 L CB 0.625 42.708 42.059 0.039 0.000 1.126 37 L HN 0.394 nan 8.230 nan 0.000 0.460 38 P HA -0.060 nan 4.420 nan 0.000 0.264 38 P C -0.774 176.465 177.300 -0.102 0.000 1.183 38 P CA 0.401 63.396 63.100 -0.175 0.000 0.763 38 P CB 0.407 31.962 31.700 -0.241 0.000 0.807 39 D N 1.281 121.625 120.400 -0.094 0.000 2.486 39 D HA -0.009 4.631 4.640 -0.000 0.000 0.243 39 D C 0.917 177.158 176.300 -0.099 0.000 1.146 39 D CA 0.143 54.093 54.000 -0.084 0.000 0.821 39 D CB -0.487 40.280 40.800 -0.055 0.000 1.201 39 D HN 0.230 nan 8.370 nan 0.000 0.525 40 V N 0.421 120.271 119.914 -0.106 0.000 2.854 40 V HA 0.503 4.623 4.120 -0.000 0.000 0.236 40 V C 1.134 177.143 176.094 -0.143 0.000 1.157 40 V CA 0.821 63.059 62.300 -0.103 0.000 1.187 40 V CB 0.171 31.954 31.823 -0.067 0.000 0.949 40 V HN 0.189 nan 8.190 nan 0.000 0.488 41 A N 1.615 124.343 122.820 -0.152 0.000 2.810 41 A HA 0.513 4.833 4.320 -0.000 0.000 0.247 41 A C 0.326 177.654 177.584 -0.426 0.000 1.576 41 A CA 0.538 52.460 52.037 -0.191 0.000 1.294 41 A CB -1.268 17.670 19.000 -0.104 0.000 0.976 41 A HN 1.015 nan 8.150 nan 0.000 0.631 42 V N -3.209 116.418 119.914 -0.479 0.000 2.715 42 V HA 0.701 4.821 4.120 -0.000 0.000 0.310 42 V C -3.003 172.660 176.094 -0.719 0.000 1.054 42 V CA -2.757 59.074 62.300 -0.782 0.000 0.928 42 V CB 1.314 32.839 31.823 -0.498 0.000 1.007 42 V HN 0.233 nan 8.190 nan 0.000 0.437 43 P HA 0.372 nan 4.420 nan 0.000 0.268 43 P C 0.405 177.322 177.300 -0.639 0.000 1.205 43 P CA 0.595 62.900 63.100 -1.325 0.000 0.771 43 P CB 0.697 31.516 31.700 -1.468 0.000 0.858 44 G N 1.574 110.143 108.800 -0.386 0.000 2.525 44 G HA2 0.259 4.219 3.960 -0.000 0.000 0.287 44 G HA3 0.259 4.219 3.960 -0.000 0.000 0.287 44 G C -0.595 174.201 174.900 -0.172 0.000 1.350 44 G CA -0.432 44.563 45.100 -0.175 0.000 1.039 44 G HN 0.360 nan 8.290 nan 0.000 0.513 45 E N -0.338 119.775 120.200 -0.145 0.000 2.249 45 E HA 0.376 4.726 4.350 -0.000 0.000 0.280 45 E C 1.081 177.605 176.600 -0.127 0.000 1.016 45 E CA -0.231 56.038 56.400 -0.219 0.000 0.830 45 E CB 1.677 31.310 29.700 -0.112 0.000 1.081 45 E HN 0.389 nan 8.360 nan 0.000 0.395 46 A N 2.855 125.590 122.820 -0.141 0.000 1.929 46 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 46 A C 0.845 178.316 177.584 -0.187 0.000 1.176 46 A CA 0.932 52.929 52.037 -0.066 0.000 0.628 46 A CB 0.481 19.482 19.000 0.002 0.000 0.816 46 A HN 0.355 nan 8.150 nan 0.000 0.444 47 V N -1.283 118.562 119.914 -0.115 0.000 3.174 47 V HA 0.347 4.466 4.120 -0.000 0.000 0.280 47 V C -2.285 173.774 176.094 -0.058 0.000 1.554 47 V CA -1.015 61.181 62.300 -0.172 0.000 1.016 47 V CB 2.090 33.678 31.823 -0.392 0.000 1.197 47 V HN 0.366 nan 8.190 nan 0.000 0.453 48 Q N 2.588 122.356 119.800 -0.053 0.000 2.245 48 Q HA 0.716 5.056 4.340 -0.000 0.000 0.256 48 Q C 0.076 176.047 176.000 -0.048 0.000 0.942 48 Q CA -0.026 55.763 55.803 -0.024 0.000 0.896 48 Q CB 1.912 30.640 28.738 -0.016 0.000 1.272 48 Q HN 1.166 nan 8.270 nan 0.000 0.442 49 A N 2.128 124.919 122.820 -0.049 0.000 2.488 49 A HA 0.355 4.675 4.320 -0.000 0.000 0.249 49 A C 0.290 177.837 177.584 -0.061 0.000 1.083 49 A CA 0.041 52.038 52.037 -0.066 0.000 0.768 49 A CB 0.259 19.203 19.000 -0.094 0.000 1.017 49 A HN 0.705 nan 8.150 nan 0.000 0.496 50 S N 0.627 116.294 115.700 -0.054 0.000 2.414 50 S HA 0.647 5.117 4.470 -0.000 0.000 0.267 50 S C 0.850 175.416 174.600 -0.056 0.000 1.165 50 S CA 0.040 58.213 58.200 -0.046 0.000 1.028 50 S CB 0.318 63.500 63.200 -0.031 0.000 1.154 50 S HN 1.308 nan 8.310 nan 0.000 0.472 51 A N 0.461 123.255 122.820 -0.043 0.000 2.450 51 A HA 0.461 4.780 4.320 -0.000 0.000 0.255 51 A C 0.488 178.045 177.584 -0.047 0.000 1.096 51 A CA -0.075 51.935 52.037 -0.044 0.000 0.778 51 A CB -0.550 18.433 19.000 -0.029 0.000 1.031 51 A HN 0.740 nan 8.150 nan 0.000 0.494 52 R N -0.165 120.300 120.500 -0.058 0.000 3.251 52 R HA -0.202 4.138 4.340 -0.000 0.000 0.249 52 R C -0.276 175.992 176.300 -0.053 0.000 0.949 52 R CA 1.550 57.620 56.100 -0.051 0.000 0.645 52 R CB -1.675 28.612 30.300 -0.023 0.000 1.065 52 R HN 1.046 nan 8.270 nan 0.000 0.452 53 Q N -1.599 118.146 119.800 -0.092 0.000 2.527 53 Q HA 0.751 5.091 4.340 -0.000 0.000 0.280 53 Q C -1.819 174.101 176.000 -0.132 0.000 0.977 53 Q CA -0.720 55.037 55.803 -0.076 0.000 0.837 53 Q CB 1.894 30.609 28.738 -0.039 0.000 1.454 53 Q HN 0.155 nan 8.270 nan 0.000 0.387 54 A N 1.271 124.037 122.820 -0.090 0.000 2.354 54 A HA 0.881 5.201 4.320 -0.000 0.000 0.321 54 A C -1.056 176.505 177.584 -0.038 0.000 1.125 54 A CA -0.732 51.243 52.037 -0.103 0.000 0.799 54 A CB 2.099 21.077 19.000 -0.037 0.000 1.293 54 A HN 0.495 nan 8.150 nan 0.000 0.452 55 V N 1.744 121.625 119.914 -0.055 0.000 2.638 55 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 55 V C -0.751 175.282 176.094 -0.102 0.000 1.052 55 V CA -0.311 61.946 62.300 -0.072 0.000 0.885 55 V CB 1.674 33.403 31.823 -0.158 0.000 0.999 55 V HN 0.809 nan 8.190 nan 0.000 0.424 56 I N 4.090 124.642 120.570 -0.030 0.000 2.436 56 I HA 0.559 4.728 4.170 -0.000 0.000 0.289 56 I C -0.829 175.339 176.117 0.084 0.000 1.010 56 I CA -0.353 60.965 61.300 0.030 0.000 1.098 56 I CB 1.126 39.187 38.000 0.102 0.000 1.266 56 I HN 0.652 nan 8.210 nan 0.000 0.434 57 H N 7.201 126.403 119.070 0.220 0.000 2.458 57 H HA 0.359 4.915 4.556 -0.000 0.000 0.330 57 H C -0.966 174.494 175.328 0.220 0.000 1.111 57 H CA -0.654 55.521 56.048 0.213 0.000 1.245 57 H CB 2.490 32.333 29.762 0.135 0.000 1.456 57 H HN 0.424 nan 8.280 nan 0.000 0.488 58 L N 4.290 125.704 121.223 0.318 0.000 2.313 58 L HA 0.200 4.540 4.340 -0.000 0.000 0.273 58 L C -0.753 176.209 176.870 0.153 0.000 1.028 58 L CA -0.591 54.393 54.840 0.240 0.000 0.871 58 L CB 0.460 42.673 42.059 0.256 0.000 1.242 58 L HN 0.300 nan 8.230 nan 0.000 0.434 59 V N 4.262 124.282 119.914 0.177 0.000 2.434 59 V HA 0.106 4.225 4.120 -0.000 0.000 0.281 59 V C 0.006 176.194 176.094 0.158 0.000 1.005 59 V CA 0.361 62.759 62.300 0.162 0.000 1.089 59 V CB 0.206 32.123 31.823 0.157 0.000 0.978 59 V HN 0.807 nan 8.190 nan 0.000 0.474 60 D N 4.617 125.118 120.400 0.168 0.000 2.472 60 D HA 0.278 4.917 4.640 -0.000 0.000 0.248 60 D C -0.119 176.323 176.300 0.237 0.000 1.271 60 D CA -0.524 53.589 54.000 0.189 0.000 0.888 60 D CB 0.730 41.634 40.800 0.173 0.000 1.337 60 D HN 0.566 nan 8.370 nan 0.000 0.526 61 I N 0.107 120.828 120.570 0.252 0.000 2.556 61 I HA 0.653 4.823 4.170 -0.000 0.000 0.284 61 I C 0.490 176.720 176.117 0.190 0.000 1.114 61 I CA -0.720 60.743 61.300 0.271 0.000 1.418 61 I CB 1.129 39.327 38.000 0.329 0.000 1.394 61 I HN 0.238 nan 8.210 nan 0.000 0.552 62 A N 4.839 127.742 122.820 0.140 0.000 2.346 62 A HA 0.602 4.922 4.320 -0.000 0.000 0.252 62 A C 0.830 178.461 177.584 0.078 0.000 1.089 62 A CA 0.055 52.145 52.037 0.089 0.000 0.797 62 A CB -0.050 18.975 19.000 0.041 0.000 1.047 62 A HN 1.059 nan 8.150 nan 0.000 0.494 63 G N -0.821 108.013 108.800 0.056 0.000 2.614 63 G HA2 0.313 4.273 3.960 -0.000 0.000 0.239 63 G HA3 0.313 4.273 3.960 -0.000 0.000 0.239 63 G C 0.817 175.742 174.900 0.042 0.000 1.240 63 G CA -0.410 44.720 45.100 0.051 0.000 0.842 63 G HN 0.643 nan 8.290 nan 0.000 0.584 64 I N 1.208 121.805 120.570 0.045 0.000 2.916 64 I HA -0.089 4.081 4.170 -0.000 0.000 0.267 64 I C 2.454 178.582 176.117 0.019 0.000 1.263 64 I CA 1.813 63.135 61.300 0.036 0.000 1.471 64 I CB -0.586 37.439 38.000 0.041 0.000 1.089 64 I HN 0.628 nan 8.210 nan 0.000 0.468 65 T N -3.602 110.962 114.554 0.016 0.000 3.069 65 T HA 0.100 4.450 4.350 -0.000 0.000 0.252 65 T C 1.086 175.786 174.700 -0.000 0.000 1.053 65 T CA -0.015 62.089 62.100 0.007 0.000 0.964 65 T CB -0.188 68.684 68.868 0.007 0.000 1.005 65 T HN 0.167 nan 8.240 nan 0.000 0.532 66 S N 0.954 116.654 115.700 -0.000 0.000 2.554 66 S HA 0.179 4.649 4.470 -0.000 0.000 0.290 66 S C 1.078 175.666 174.600 -0.019 0.000 1.309 66 S CA 0.330 58.524 58.200 -0.010 0.000 1.047 66 S CB 0.630 63.824 63.200 -0.010 0.000 0.828 66 S HN 0.506 nan 8.310 nan 0.000 0.509 67 S N 1.671 117.356 115.700 -0.025 0.000 2.744 67 S HA 0.259 4.729 4.470 -0.000 0.000 0.265 67 S C 0.064 174.644 174.600 -0.033 0.000 1.065 67 S CA 0.396 58.580 58.200 -0.027 0.000 1.191 67 S CB 0.005 63.192 63.200 -0.022 0.000 1.150 67 S HN 1.022 nan 8.310 nan 0.000 0.646 68 T N 1.205 115.735 114.554 -0.041 0.000 2.896 68 T HA 0.692 5.042 4.350 -0.000 0.000 0.297 68 T C -3.223 171.439 174.700 -0.063 0.000 1.108 68 T CA -1.605 60.465 62.100 -0.049 0.000 1.004 68 T CB 1.209 70.047 68.868 -0.051 0.000 1.159 68 T HN 0.053 nan 8.240 nan 0.000 0.499 69 P HA 0.381 nan 4.420 nan 0.000 0.267 69 P C -0.018 177.194 177.300 -0.147 0.000 1.205 69 P CA -0.276 62.778 63.100 -0.076 0.000 0.765 69 P CB 0.216 31.882 31.700 -0.057 0.000 0.828 70 A N 2.838 125.529 122.820 -0.215 0.000 2.466 70 A HA 0.070 4.390 4.320 -0.000 0.000 0.238 70 A C 0.285 177.453 177.584 -0.693 0.000 1.074 70 A CA -0.154 51.608 52.037 -0.459 0.000 0.774 70 A CB -0.260 18.389 19.000 -0.586 0.000 1.015 70 A HN 0.629 nan 8.150 nan 0.000 0.498 71 D N -0.095 119.951 120.400 -0.591 0.000 2.316 71 D HA 0.416 5.056 4.640 -0.000 0.000 0.245 71 D C -0.815 175.181 176.300 -0.506 0.000 1.171 71 D CA 0.251 53.999 54.000 -0.420 0.000 0.856 71 D CB 0.150 40.826 40.800 -0.207 0.000 1.090 71 D HN 0.368 nan 8.370 nan 0.000 0.476 72 Y N 2.622 122.897 120.300 -0.042 0.000 2.715 72 Y HA 0.381 4.931 4.550 -0.000 0.000 0.255 72 Y C 1.551 177.435 175.900 -0.026 0.000 1.139 72 Y CA -0.482 57.597 58.100 -0.036 0.000 1.151 72 Y CB 0.097 38.498 38.460 -0.097 0.000 1.201 72 Y HN 0.543 nan 8.280 nan 0.000 0.556 73 A N -0.396 122.469 122.820 0.075 0.000 1.972 73 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 73 A C 2.330 179.961 177.584 0.079 0.000 1.169 73 A CA 2.446 54.515 52.037 0.053 0.000 0.635 73 A CB -0.622 18.387 19.000 0.016 0.000 0.810 73 A HN 0.361 nan 8.150 nan 0.000 0.446 74 T N -1.670 112.939 114.554 0.091 0.000 3.067 74 T HA 0.069 4.419 4.350 -0.000 0.000 0.261 74 T C 0.848 175.627 174.700 0.132 0.000 1.110 74 T CA 0.441 62.595 62.100 0.090 0.000 1.113 74 T CB -0.379 68.533 68.868 0.072 0.000 0.917 74 T HN 0.317 nan 8.240 nan 0.000 0.499 75 K N 3.084 123.605 120.400 0.202 0.000 2.401 75 K HA 0.230 4.549 4.320 -0.000 0.000 0.278 75 K C 0.177 177.001 176.600 0.374 0.000 1.018 75 K CA -0.097 56.367 56.287 0.294 0.000 0.981 75 K CB 0.304 33.012 32.500 0.348 0.000 0.933 75 K HN 0.584 nan 8.250 nan 0.000 0.477 76 N N 2.727 121.600 118.700 0.288 0.000 3.106 76 N HA 0.381 5.121 4.740 -0.000 0.000 0.253 76 N C -1.499 173.866 175.510 -0.241 0.000 1.506 76 N CA -0.759 52.381 53.050 0.151 0.000 0.876 76 N CB 0.890 39.408 38.487 0.053 0.000 1.452 76 N HN 0.301 nan 8.380 nan 0.000 0.542 77 L N -0.188 120.824 121.223 -0.353 0.000 2.388 77 L HA 0.452 4.791 4.340 -0.000 0.000 0.264 77 L C -1.569 175.201 176.870 -0.167 0.000 0.998 77 L CA -0.944 53.642 54.840 -0.423 0.000 0.817 77 L CB 2.219 43.835 42.059 -0.739 0.000 1.338 77 L HN 0.626 nan 8.230 nan 0.000 0.414 78 Y N 3.414 123.591 120.300 -0.204 0.000 2.417 78 Y HA 0.571 5.121 4.550 -0.000 0.000 0.336 78 Y C -1.083 174.914 175.900 0.162 0.000 0.961 78 Y CA -0.607 57.442 58.100 -0.086 0.000 1.215 78 Y CB 0.720 39.069 38.460 -0.186 0.000 1.120 78 Y HN 0.344 nan 8.280 nan 0.000 0.499 79 L N 6.943 128.006 121.223 -0.267 0.000 2.309 79 L HA 0.520 4.860 4.340 -0.000 0.000 0.282 79 L C -1.136 175.627 176.870 -0.178 0.000 1.036 79 L CA -0.792 53.935 54.840 -0.189 0.000 0.806 79 L CB 1.124 43.086 42.059 -0.163 0.000 1.220 79 L HN 0.827 nan 8.230 nan 0.000 0.429 80 W N 3.239 124.320 121.300 -0.364 0.000 3.571 80 W HA 0.477 5.137 4.660 -0.000 0.000 0.294 80 W C -1.781 174.656 176.519 -0.138 0.000 1.257 80 W CA -1.011 56.176 57.345 -0.264 0.000 1.206 80 W CB 0.701 29.985 29.460 -0.294 0.000 1.325 80 W HN 0.502 nan 8.180 nan 0.000 0.546 81 N N 2.264 120.865 118.700 -0.166 0.000 2.321 81 N HA 0.679 5.419 4.740 -0.000 0.000 0.299 81 N C -0.714 174.765 175.510 -0.052 0.000 1.048 81 N CA -0.605 52.304 53.050 -0.235 0.000 0.836 81 N CB 1.782 40.176 38.487 -0.154 0.000 1.269 81 N HN 0.705 nan 8.380 nan 0.000 0.486 82 N N 0.361 119.016 118.700 -0.075 0.000 3.384 82 N HA 0.239 4.979 4.740 -0.000 0.000 0.352 82 N C 0.568 176.071 175.510 -0.011 0.000 1.466 82 N CA -0.501 52.570 53.050 0.035 0.000 0.629 82 N CB 0.254 38.820 38.487 0.133 0.000 1.810 82 N HN 0.664 nan 8.380 nan 0.000 0.575 83 E N -0.657 119.548 120.200 0.008 0.000 2.028 83 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 83 E C 1.219 177.797 176.600 -0.037 0.000 0.988 83 E CA 1.721 58.115 56.400 -0.009 0.000 0.799 83 E CB -0.836 28.867 29.700 0.006 0.000 0.755 83 E HN 0.520 nan 8.360 nan 0.000 0.447 84 T N 0.095 114.623 114.554 -0.043 0.000 2.708 84 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 84 T C 0.655 175.281 174.700 -0.123 0.000 1.037 84 T CA 1.218 63.276 62.100 -0.071 0.000 1.146 84 T CB -0.212 68.618 68.868 -0.064 0.000 0.865 84 T HN 0.258 nan 8.240 nan 0.000 0.435 85 c N 2.482 120.983 118.600 -0.165 0.000 2.431 85 c HA 0.548 5.118 4.570 -0.000 0.000 0.321 85 c C -0.065 173.902 174.090 -0.205 0.000 1.202 85 c CA -1.185 55.007 56.329 -0.229 0.000 1.398 85 c CB 1.454 43.768 42.510 -0.326 0.000 2.047 85 c HN 0.631 nan 8.230 nan 0.000 0.465 86 D N 0.672 120.974 120.400 -0.164 0.000 2.636 86 D HA 0.145 4.784 4.640 -0.000 0.000 0.270 86 D C 1.006 177.256 176.300 -0.084 0.000 1.430 86 D CA -0.109 53.823 54.000 -0.113 0.000 0.796 86 D CB -0.261 40.499 40.800 -0.067 0.000 1.117 86 D HN 0.490 nan 8.370 nan 0.000 0.480 87 A N 0.125 122.880 122.820 -0.108 0.000 2.119 87 A HA 0.188 4.508 4.320 -0.000 0.000 0.216 87 A C 0.803 178.404 177.584 0.028 0.000 1.152 87 A CA 0.203 52.238 52.037 -0.002 0.000 0.708 87 A CB -0.425 18.601 19.000 0.043 0.000 0.805 87 A HN 0.247 nan 8.150 nan 0.000 0.460 88 L N 0.451 121.647 121.223 -0.044 0.000 2.490 88 L HA 0.182 4.522 4.340 -0.000 0.000 0.274 88 L C 0.842 177.701 176.870 -0.019 0.000 1.201 88 L CA 0.550 55.367 54.840 -0.038 0.000 0.869 88 L CB 0.539 42.533 42.059 -0.108 0.000 1.123 88 L HN 0.096 nan 8.230 nan 0.000 0.484 89 S N 3.033 118.732 115.700 -0.003 0.000 2.422 89 S HA 0.632 5.102 4.470 -0.000 0.000 0.308 89 S C 0.398 174.996 174.600 -0.004 0.000 1.097 89 S CA -0.203 57.997 58.200 0.001 0.000 1.099 89 S CB 0.245 63.451 63.200 0.010 0.000 0.976 89 S HN 1.133 nan 8.310 nan 0.000 0.471 90 A N 5.011 127.829 122.820 -0.004 0.000 2.416 90 A HA -0.078 4.241 4.320 -0.000 0.000 0.293 90 A C -1.926 175.653 177.584 -0.009 0.000 1.452 90 A CA 0.194 52.231 52.037 -0.001 0.000 0.738 90 A CB -1.886 17.117 19.000 0.004 0.000 1.123 90 A HN 0.660 nan 8.150 nan 0.000 0.389 91 P HA 0.329 nan 4.420 nan 0.000 0.276 91 P C 0.276 177.559 177.300 -0.029 0.000 1.243 91 P CA 0.149 63.225 63.100 -0.039 0.000 0.768 91 P CB 1.393 33.060 31.700 -0.054 0.000 0.856 92 V N 3.751 123.643 119.914 -0.035 0.000 2.529 92 V HA 0.279 4.399 4.120 -0.000 0.000 0.292 92 V C 0.556 176.645 176.094 -0.009 0.000 1.028 92 V CA 0.195 62.489 62.300 -0.010 0.000 1.074 92 V CB 0.050 31.873 31.823 0.000 0.000 0.958 92 V HN 0.843 nan 8.190 nan 0.000 0.481 93 A N 5.264 128.111 122.820 0.045 0.000 2.450 93 A HA 0.592 4.912 4.320 -0.000 0.000 0.281 93 A C 0.400 178.097 177.584 0.187 0.000 1.372 93 A CA 0.190 52.293 52.037 0.109 0.000 0.886 93 A CB 0.031 19.089 19.000 0.096 0.000 1.462 93 A HN 1.421 nan 8.150 nan 0.000 0.514 94 D N -1.789 118.751 120.400 0.234 0.000 4.847 94 D HA -0.149 4.490 4.640 -0.000 0.000 0.237 94 D C 0.433 176.896 176.300 0.272 0.000 1.164 94 D CA 0.777 54.903 54.000 0.210 0.000 1.196 94 D CB -0.783 40.092 40.800 0.125 0.000 0.717 94 D HN 0.680 nan 8.370 nan 0.000 0.348 95 W N 5.282 126.594 121.300 0.020 0.000 2.331 95 W HA -0.193 4.467 4.660 -0.000 0.000 0.291 95 W C 1.220 177.681 176.519 -0.097 0.000 1.214 95 W CA 1.473 58.686 57.345 -0.220 0.000 1.228 95 W CB -0.263 28.943 29.460 -0.423 0.000 1.135 95 W HN 0.460 nan 8.180 nan 0.000 0.537 96 N N 1.040 119.827 118.700 0.145 0.000 2.520 96 N HA -0.132 4.607 4.740 -0.000 0.000 0.185 96 N C -0.415 175.088 175.510 -0.013 0.000 1.068 96 N CA 1.092 54.185 53.050 0.072 0.000 0.911 96 N CB -0.485 38.063 38.487 0.102 0.000 0.961 96 N HN 0.180 nan 8.380 nan 0.000 0.446 97 D N 0.132 120.527 120.400 -0.009 0.000 2.348 97 D HA 0.075 4.715 4.640 -0.000 0.000 0.253 97 D C 0.026 176.295 176.300 -0.052 0.000 1.161 97 D CA -0.064 53.934 54.000 -0.004 0.000 0.876 97 D CB 1.211 42.033 40.800 0.038 0.000 1.160 97 D HN -0.243 nan 8.370 nan 0.000 0.459 98 V N 3.687 123.580 119.914 -0.035 0.000 2.915 98 V HA 0.108 4.228 4.120 -0.000 0.000 0.364 98 V C 1.039 177.140 176.094 0.011 0.000 1.354 98 V CA 0.618 62.896 62.300 -0.036 0.000 1.213 98 V CB -0.157 31.644 31.823 -0.037 0.000 1.268 98 V HN 0.676 nan 8.190 nan 0.000 0.557 99 S N -1.367 114.345 115.700 0.020 0.000 2.558 99 S HA 0.003 4.473 4.470 -0.000 0.000 0.217 99 S C 1.032 175.672 174.600 0.065 0.000 0.975 99 S CA 0.581 58.804 58.200 0.039 0.000 0.912 99 S CB -0.264 62.954 63.200 0.031 0.000 0.776 99 S HN 0.526 nan 8.310 nan 0.000 0.526 100 T N 4.194 118.786 114.554 0.064 0.000 4.309 100 T HA 0.227 4.577 4.350 -0.000 0.000 0.242 100 T C 0.518 175.386 174.700 0.281 0.000 1.142 100 T CA 0.061 62.223 62.100 0.104 0.000 1.042 100 T CB -0.837 68.028 68.868 -0.006 0.000 1.366 100 T HN 0.676 nan 8.240 nan 0.000 0.942 101 T N 0.251 114.974 114.554 0.281 0.000 2.816 101 T HA 0.382 4.732 4.350 -0.000 0.000 0.282 101 T C -2.700 172.144 174.700 0.241 0.000 0.993 101 T CA -2.234 60.072 62.100 0.343 0.000 0.994 101 T CB 0.291 69.238 68.868 0.132 0.000 1.025 101 T HN -0.045 nan 8.240 nan 0.000 0.529 102 P HA 0.113 nan 4.420 nan 0.000 0.265 102 P C 0.730 177.690 177.300 -0.566 0.000 1.187 102 P CA 0.007 62.511 63.100 -0.993 0.000 0.766 102 P CB 0.182 31.326 31.700 -0.928 0.000 0.820 103 T N 0.405 114.579 114.554 -0.633 0.000 3.023 103 T HA 0.209 4.559 4.350 -0.000 0.000 0.266 103 T C 0.862 175.272 174.700 -0.485 0.000 1.093 103 T CA 1.151 63.034 62.100 -0.361 0.000 1.129 103 T CB -0.212 68.575 68.868 -0.134 0.000 0.899 103 T HN 0.705 nan 8.240 nan 0.000 0.491 104 G N 0.105 108.327 108.800 -0.963 0.000 2.430 104 G HA2 0.510 4.469 3.960 -0.000 0.000 0.300 104 G HA3 0.510 4.469 3.960 -0.000 0.000 0.300 104 G C -1.572 172.813 174.900 -0.858 0.000 1.330 104 G CA -0.148 44.508 45.100 -0.740 0.000 0.813 104 G HN 0.511 nan 8.290 nan 0.000 0.487 105 S N -0.687 114.849 115.700 -0.273 0.000 2.567 105 S HA 0.781 5.251 4.470 -0.000 0.000 0.270 105 S C -1.455 173.206 174.600 0.102 0.000 1.152 105 S CA 0.120 58.289 58.200 -0.052 0.000 0.835 105 S CB 2.463 65.692 63.200 0.048 0.000 1.115 105 S HN 1.441 nan 8.310 nan 0.000 0.459 106 D N 0.155 120.633 120.400 0.130 0.000 2.904 106 D HA 0.427 5.067 4.640 -0.000 0.000 0.290 106 D C 0.925 177.224 176.300 -0.002 0.000 1.180 106 D CA -0.629 53.402 54.000 0.051 0.000 1.065 106 D CB 0.001 40.824 40.800 0.037 0.000 1.386 106 D HN 0.511 nan 8.370 nan 0.000 0.599 107 K N -0.342 119.949 120.400 -0.181 0.000 2.280 107 K HA -0.134 4.186 4.320 -0.000 0.000 0.202 107 K C 0.651 177.124 176.600 -0.212 0.000 1.047 107 K CA 1.344 57.470 56.287 -0.269 0.000 0.942 107 K CB -0.835 31.373 32.500 -0.488 0.000 0.739 107 K HN 0.504 nan 8.250 nan 0.000 0.457 108 Y N 0.760 121.100 120.300 0.065 0.000 2.468 108 Y HA 0.369 4.919 4.550 -0.000 0.000 0.268 108 Y C 1.227 177.171 175.900 0.073 0.000 1.177 108 Y CA 0.019 58.153 58.100 0.056 0.000 1.265 108 Y CB 0.223 38.684 38.460 0.001 0.000 1.103 108 Y HN 0.389 nan 8.280 nan 0.000 0.522 109 G N 0.071 108.982 108.800 0.186 0.000 2.371 109 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.663 109 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.663 109 G C -3.245 171.576 174.900 -0.132 0.000 1.311 109 G CA -1.265 43.840 45.100 0.009 0.000 0.985 109 G HN -0.139 nan 8.290 nan 0.000 0.566 110 P HA 0.644 nan 4.420 nan 0.000 0.280 110 P C -1.322 175.724 177.300 -0.423 0.000 1.272 110 P CA -0.322 62.400 63.100 -0.630 0.000 0.819 110 P CB 1.128 32.182 31.700 -1.077 0.000 1.122 111 Y N -3.309 116.651 120.300 -0.568 0.000 2.597 111 Y HA 0.703 5.253 4.550 -0.000 0.000 0.340 111 Y C -1.704 173.881 175.900 -0.524 0.000 1.097 111 Y CA -1.343 56.528 58.100 -0.383 0.000 1.037 111 Y CB 1.080 39.447 38.460 -0.155 0.000 1.305 111 Y HN 0.341 nan 8.280 nan 0.000 0.463 112 W N 1.919 123.269 121.300 0.085 0.000 2.739 112 W HA 0.619 5.278 4.660 -0.000 0.000 0.331 112 W C -1.606 174.951 176.519 0.065 0.000 1.049 112 W CA -1.202 56.161 57.345 0.030 0.000 1.234 112 W CB 2.547 31.994 29.460 -0.023 0.000 1.404 112 W HN 0.416 nan 8.180 nan 0.000 0.477 113 V N 5.966 126.039 119.914 0.265 0.000 2.304 113 V HA 0.207 4.327 4.120 -0.000 0.000 0.269 113 V C 0.237 176.407 176.094 0.125 0.000 1.036 113 V CA -0.531 61.864 62.300 0.157 0.000 0.840 113 V CB 0.493 32.395 31.823 0.130 0.000 1.036 113 V HN 0.202 nan 8.190 nan 0.000 0.466 114 I N 8.091 128.715 120.570 0.090 0.000 2.325 114 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 114 I C -2.037 174.099 176.117 0.031 0.000 1.019 114 I CA -2.806 58.529 61.300 0.058 0.000 1.302 114 I CB 1.664 39.687 38.000 0.038 0.000 1.401 114 I HN 0.365 nan 8.210 nan 0.000 0.485 115 P HA 0.289 nan 4.420 nan 0.000 0.276 115 P C -0.730 176.581 177.300 0.019 0.000 1.253 115 P CA -0.129 62.981 63.100 0.017 0.000 0.766 115 P CB 1.036 32.747 31.700 0.018 0.000 0.845 116 L N 2.506 123.739 121.223 0.017 0.000 2.358 116 L HA 0.384 4.724 4.340 -0.000 0.000 0.268 116 L C 1.969 178.859 176.870 0.033 0.000 1.032 116 L CA -0.475 54.390 54.840 0.043 0.000 0.805 116 L CB 1.114 43.203 42.059 0.050 0.000 1.253 116 L HN 0.257 nan 8.230 nan 0.000 0.452 117 T N -0.616 113.967 114.554 0.049 0.000 3.037 117 T HA 0.125 4.475 4.350 -0.000 0.000 0.251 117 T C 0.068 174.791 174.700 0.040 0.000 1.079 117 T CA 0.306 62.426 62.100 0.033 0.000 1.067 117 T CB 0.021 68.904 68.868 0.025 0.000 0.948 117 T HN 0.669 nan 8.240 nan 0.000 0.496 118 K N -0.560 119.881 120.400 0.068 0.000 2.658 118 K HA 0.348 4.668 4.320 -0.000 0.000 0.293 118 K C -0.999 175.659 176.600 0.096 0.000 1.026 118 K CA -0.872 55.457 56.287 0.070 0.000 0.871 118 K CB 0.661 33.207 32.500 0.077 0.000 1.524 118 K HN -0.142 nan 8.250 nan 0.000 0.400 119 E N 0.884 121.113 120.200 0.048 0.000 2.437 119 E HA 0.083 4.433 4.350 -0.000 0.000 0.195 119 E C -0.509 176.180 176.600 0.148 0.000 1.029 119 E CA -0.249 56.127 56.400 -0.040 0.000 0.948 119 E CB 0.795 30.441 29.700 -0.090 0.000 1.082 119 E HN 0.547 nan 8.360 nan 0.000 0.456 120 S N -1.149 114.747 115.700 0.328 0.000 2.634 120 S HA 0.843 5.312 4.470 -0.000 0.000 0.296 120 S C 0.625 175.389 174.600 0.273 0.000 1.104 120 S CA -0.280 58.111 58.200 0.319 0.000 0.920 120 S CB 2.289 65.569 63.200 0.133 0.000 1.111 120 S HN 0.235 nan 8.310 nan 0.000 0.493 121 G N 0.035 108.872 108.800 0.062 0.000 2.520 121 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.248 121 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.248 121 G C 0.126 174.682 174.900 -0.572 0.000 1.161 121 G CA 0.337 45.330 45.100 -0.179 0.000 0.946 121 G HN 2.407 nan 8.290 nan 0.000 0.565 122 c N -1.052 117.091 118.600 -0.762 0.000 3.293 122 c HA 0.898 5.468 4.570 -0.000 0.000 0.362 122 c C -0.369 173.266 174.090 -0.757 0.000 1.539 122 c CA -0.452 55.294 56.329 -0.973 0.000 1.201 122 c CB 0.830 43.055 42.510 -0.474 0.000 1.770 122 c HN 2.091 nan 8.230 nan 0.000 0.440 123 I N -1.155 119.079 120.570 -0.559 0.000 2.827 123 I HA 0.556 4.726 4.170 -0.000 0.000 0.298 123 I C -1.535 174.323 176.117 -0.431 0.000 1.235 123 I CA -0.564 60.493 61.300 -0.405 0.000 1.021 123 I CB 2.067 39.930 38.000 -0.230 0.000 1.259 123 I HN 0.666 nan 8.210 nan 0.000 0.427 124 N N 4.042 122.357 118.700 -0.641 0.000 2.426 124 N HA 0.607 5.347 4.740 -0.000 0.000 0.275 124 N C -0.922 174.108 175.510 -0.801 0.000 1.019 124 N CA -0.280 52.205 53.050 -0.942 0.000 0.941 124 N CB 2.465 39.784 38.487 -1.946 0.000 1.123 124 N HN 0.449 nan 8.380 nan 0.000 0.486 125 V N 2.789 122.477 119.914 -0.378 0.000 2.925 125 V HA 0.560 4.679 4.120 -0.000 0.000 0.311 125 V C -0.239 175.931 176.094 0.126 0.000 1.104 125 V CA -0.728 61.511 62.300 -0.103 0.000 0.954 125 V CB 2.561 34.296 31.823 -0.148 0.000 1.022 125 V HN 0.475 nan 8.190 nan 0.000 0.427 126 I N 2.996 123.681 120.570 0.192 0.000 2.531 126 I HA 0.317 4.486 4.170 -0.000 0.000 0.283 126 I C -0.578 175.542 176.117 0.005 0.000 1.083 126 I CA -0.690 60.717 61.300 0.178 0.000 1.071 126 I CB 2.086 40.288 38.000 0.337 0.000 1.210 126 I HN 0.304 nan 8.210 nan 0.000 0.450 127 V N 7.019 126.902 119.914 -0.050 0.000 2.572 127 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 127 V C 0.488 176.547 176.094 -0.058 0.000 1.039 127 V CA 0.073 62.296 62.300 -0.128 0.000 1.055 127 V CB 0.420 32.203 31.823 -0.067 0.000 0.969 127 V HN 0.703 nan 8.190 nan 0.000 0.482 128 R N 2.714 123.160 120.500 -0.089 0.000 2.888 128 R HA 0.527 4.867 4.340 -0.000 0.000 0.264 128 R C -1.136 175.175 176.300 0.018 0.000 1.045 128 R CA -0.940 55.132 56.100 -0.047 0.000 0.962 128 R CB 1.680 31.886 30.300 -0.157 0.000 1.210 128 R HN 0.606 nan 8.270 nan 0.000 0.479 129 D N 0.099 120.519 120.400 0.034 0.000 2.607 129 D HA 0.302 4.942 4.640 -0.000 0.000 0.318 129 D C 0.546 176.871 176.300 0.042 0.000 1.212 129 D CA 0.626 54.668 54.000 0.069 0.000 0.861 129 D CB 0.458 41.310 40.800 0.087 0.000 1.064 129 D HN 0.757 nan 8.370 nan 0.000 0.500 130 G N 1.279 110.087 108.800 0.012 0.000 4.492 130 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.265 130 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.265 130 G C 0.897 175.761 174.900 -0.059 0.000 1.702 130 G CA 0.438 45.535 45.100 -0.005 0.000 1.266 130 G HN 0.374 nan 8.290 nan 0.000 0.643 131 T N 1.350 115.896 114.554 -0.012 0.000 2.992 131 T HA 0.272 4.622 4.350 -0.000 0.000 0.255 131 T C 0.623 175.411 174.700 0.148 0.000 0.938 131 T CA 0.497 62.611 62.100 0.024 0.000 0.895 131 T CB 0.251 69.195 68.868 0.127 0.000 1.221 131 T HN 0.454 nan 8.240 nan 0.000 0.512 132 N N 1.919 120.682 118.700 0.104 0.000 2.445 132 N HA 0.345 5.085 4.740 -0.000 0.000 0.264 132 N C -0.392 175.185 175.510 0.112 0.000 1.227 132 N CA -0.092 53.034 53.050 0.128 0.000 0.963 132 N CB 0.626 39.164 38.487 0.085 0.000 1.188 132 N HN 0.135 nan 8.380 nan 0.000 0.491 133 K N 1.280 121.758 120.400 0.130 0.000 2.234 133 K HA 0.279 4.599 4.320 -0.000 0.000 0.277 133 K C 0.501 177.150 176.600 0.083 0.000 1.038 133 K CA -0.303 56.052 56.287 0.113 0.000 0.888 133 K CB 1.137 33.725 32.500 0.146 0.000 1.091 133 K HN 0.374 nan 8.250 nan 0.000 0.467 134 L N 2.464 123.730 121.223 0.071 0.000 2.240 134 L HA 0.023 4.363 4.340 -0.000 0.000 0.211 134 L C 0.258 177.173 176.870 0.075 0.000 1.106 134 L CA 0.873 55.759 54.840 0.075 0.000 0.793 134 L CB 0.089 42.198 42.059 0.082 0.000 0.927 134 L HN 0.542 nan 8.230 nan 0.000 0.446 135 I N -0.942 119.672 120.570 0.073 0.000 2.468 135 I HA 0.128 4.298 4.170 -0.000 0.000 0.284 135 I C 0.448 176.614 176.117 0.082 0.000 1.038 135 I CA -0.247 61.097 61.300 0.073 0.000 1.083 135 I CB 1.574 39.614 38.000 0.067 0.000 1.223 135 I HN -0.118 nan 8.210 nan 0.000 0.443 136 D N 2.172 122.617 120.400 0.074 0.000 2.127 136 D HA -0.124 4.516 4.640 -0.000 0.000 0.206 136 D C 1.028 177.378 176.300 0.083 0.000 0.989 136 D CA 1.174 55.218 54.000 0.074 0.000 0.877 136 D CB -0.099 40.733 40.800 0.052 0.000 1.042 136 D HN 0.507 nan 8.370 nan 0.000 0.455 137 S N 1.123 116.864 115.700 0.069 0.000 2.558 137 S HA -0.112 4.357 4.470 -0.000 0.000 0.297 137 S C -0.199 174.466 174.600 0.108 0.000 1.283 137 S CA -0.159 58.086 58.200 0.074 0.000 1.044 137 S CB 0.139 63.373 63.200 0.056 0.000 0.789 137 S HN 0.015 nan 8.310 nan 0.000 0.500 138 D N 2.902 123.385 120.400 0.138 0.000 2.382 138 D HA 0.214 4.854 4.640 -0.000 0.000 0.245 138 D C -0.131 176.248 176.300 0.131 0.000 1.120 138 D CA 0.281 54.412 54.000 0.219 0.000 0.890 138 D CB 0.545 41.526 40.800 0.301 0.000 1.201 138 D HN 0.435 nan 8.370 nan 0.000 0.433 139 L N 2.608 123.895 121.223 0.107 0.000 2.296 139 L HA 0.430 4.769 4.340 -0.000 0.000 0.286 139 L C 0.511 177.338 176.870 -0.071 0.000 1.023 139 L CA -0.638 54.206 54.840 0.007 0.000 0.812 139 L CB 1.393 43.445 42.059 -0.013 0.000 1.223 139 L HN 0.056 nan 8.230 nan 0.000 0.421 140 R N 2.924 123.377 120.500 -0.080 0.000 2.337 140 R HA 0.446 4.786 4.340 -0.000 0.000 0.319 140 R C -1.108 175.126 176.300 -0.111 0.000 0.954 140 R CA -0.701 55.321 56.100 -0.132 0.000 0.840 140 R CB 2.196 32.433 30.300 -0.106 0.000 1.164 140 R HN 0.312 nan 8.270 nan 0.000 0.472 141 V N 2.653 122.479 119.914 -0.148 0.000 2.339 141 V HA 0.069 4.189 4.120 -0.000 0.000 0.261 141 V C 0.548 176.596 176.094 -0.077 0.000 1.058 141 V CA -0.214 62.033 62.300 -0.088 0.000 0.897 141 V CB 1.071 32.862 31.823 -0.054 0.000 1.052 141 V HN 0.686 nan 8.190 nan 0.000 0.480 142 S N 4.678 120.425 115.700 0.078 0.000 2.481 142 S HA 0.345 4.815 4.470 -0.000 0.000 0.276 142 S C 0.867 175.655 174.600 0.314 0.000 1.247 142 S CA -0.430 57.808 58.200 0.064 0.000 1.053 142 S CB 0.112 63.368 63.200 0.094 0.000 0.925 142 S HN 0.573 nan 8.310 nan 0.000 0.491 143 F N 2.639 122.639 119.950 0.083 0.000 2.604 143 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 143 F C 2.512 178.352 175.800 0.065 0.000 1.131 143 F CA 0.144 58.193 58.000 0.080 0.000 1.457 143 F CB 0.110 39.129 39.000 0.032 0.000 1.095 143 F HN 0.706 nan 8.300 nan 0.000 0.574 144 S N -0.889 114.936 115.700 0.209 0.000 2.456 144 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 144 S C 1.166 175.783 174.600 0.027 0.000 1.035 144 S CA 0.742 58.999 58.200 0.095 0.000 0.940 144 S CB -0.304 62.923 63.200 0.046 0.000 0.799 144 S HN 0.178 nan 8.310 nan 0.000 0.508 145 D N 0.929 121.341 120.400 0.020 0.000 2.149 145 D HA 0.132 4.772 4.640 -0.000 0.000 0.201 145 D C -0.459 175.543 176.300 -0.496 0.000 0.972 145 D CA 0.908 54.767 54.000 -0.235 0.000 0.835 145 D CB -0.092 40.580 40.800 -0.213 0.000 0.966 145 D HN 0.485 nan 8.370 nan 0.000 0.476 146 F N -0.132 119.866 119.950 0.080 0.000 2.564 146 F HA 0.260 4.787 4.527 -0.000 0.000 0.368 146 F C 1.396 177.234 175.800 0.064 0.000 1.127 146 F CA -0.656 57.389 58.000 0.074 0.000 1.170 146 F CB 1.132 40.186 39.000 0.089 0.000 1.397 146 F HN -0.286 nan 8.300 nan 0.000 0.493 147 T N 0.532 115.163 114.554 0.129 0.000 2.624 147 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 147 T C 1.611 176.333 174.700 0.036 0.000 1.041 147 T CA 2.642 64.785 62.100 0.072 0.000 1.159 147 T CB -0.282 68.605 68.868 0.031 0.000 0.863 147 T HN 0.640 nan 8.240 nan 0.000 0.434 148 D N 0.267 120.699 120.400 0.053 0.000 2.392 148 D HA -0.047 4.592 4.640 -0.000 0.000 0.228 148 D C 0.898 177.182 176.300 -0.028 0.000 1.003 148 D CA 0.111 54.118 54.000 0.012 0.000 0.917 148 D CB -0.792 40.029 40.800 0.036 0.000 0.890 148 D HN 0.537 nan 8.370 nan 0.000 0.532 149 R N -1.313 119.172 120.500 -0.025 0.000 3.610 149 R HA -0.150 4.190 4.340 -0.000 0.000 0.274 149 R C -0.659 175.605 176.300 -0.061 0.000 1.123 149 R CA 1.108 57.136 56.100 -0.122 0.000 0.747 149 R CB -2.935 27.091 30.300 -0.457 0.000 1.149 149 R HN 0.252 nan 8.270 nan 0.000 0.471 150 T N 0.409 114.974 114.554 0.018 0.000 2.934 150 T HA 0.455 4.804 4.350 -0.000 0.000 0.328 150 T C 0.293 175.030 174.700 0.063 0.000 1.068 150 T CA -0.495 61.620 62.100 0.025 0.000 1.018 150 T CB 1.419 70.327 68.868 0.067 0.000 1.009 150 T HN 0.233 nan 8.240 nan 0.000 0.471 151 V N 0.571 120.476 119.914 -0.015 0.000 3.177 151 V HA 0.993 5.113 4.120 -0.000 0.000 0.319 151 V C -0.281 175.884 176.094 0.119 0.000 1.125 151 V CA -0.815 61.444 62.300 -0.069 0.000 1.029 151 V CB 2.145 33.744 31.823 -0.374 0.000 1.119 151 V HN 0.659 nan 8.190 nan 0.000 0.452 152 S N 0.131 115.913 115.700 0.137 0.000 2.540 152 S HA 0.868 5.338 4.470 -0.000 0.000 0.275 152 S C -0.628 174.127 174.600 0.258 0.000 1.123 152 S CA -0.214 58.136 58.200 0.251 0.000 0.907 152 S CB 1.672 65.030 63.200 0.263 0.000 1.081 152 S HN 1.788 nan 8.310 nan 0.000 0.476 153 V N -0.142 119.919 119.914 0.245 0.000 3.181 153 V HA 0.783 4.903 4.120 -0.000 0.000 0.308 153 V C -1.313 174.919 176.094 0.229 0.000 1.214 153 V CA -0.892 61.553 62.300 0.241 0.000 1.053 153 V CB 1.567 33.463 31.823 0.121 0.000 1.069 153 V HN 0.868 nan 8.190 nan 0.000 0.441 154 I N 1.011 121.712 120.570 0.217 0.000 2.828 154 I HA 0.748 4.917 4.170 -0.000 0.000 0.302 154 I C 0.617 176.817 176.117 0.138 0.000 1.101 154 I CA -1.010 60.393 61.300 0.172 0.000 1.031 154 I CB 2.099 40.195 38.000 0.161 0.000 1.231 154 I HN 1.040 nan 8.210 nan 0.000 0.427 155 A N 3.088 125.980 122.820 0.121 0.000 2.567 155 A HA 0.395 4.714 4.320 -0.000 0.000 0.240 155 A C 1.198 178.836 177.584 0.091 0.000 1.053 155 A CA 0.836 52.934 52.037 0.103 0.000 0.755 155 A CB -0.618 18.442 19.000 0.100 0.000 0.978 155 A HN 1.417 nan 8.150 nan 0.000 0.507 156 G N 1.937 110.787 108.800 0.082 0.000 2.179 156 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 156 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 156 G C 0.609 175.556 174.900 0.078 0.000 1.010 156 G CA 1.081 46.224 45.100 0.073 0.000 0.736 156 G HN 1.091 nan 8.290 nan 0.000 0.513 157 N N -0.567 118.189 118.700 0.093 0.000 2.571 157 N HA 0.161 4.900 4.740 -0.000 0.000 0.195 157 N C 1.587 177.144 175.510 0.078 0.000 1.040 157 N CA 1.775 54.889 53.050 0.108 0.000 0.890 157 N CB 0.257 38.848 38.487 0.172 0.000 1.233 157 N HN 0.832 nan 8.380 nan 0.000 0.435 158 S N -2.331 113.407 115.700 0.063 0.000 2.929 158 S HA -0.212 4.258 4.470 -0.000 0.000 0.271 158 S C -0.026 174.565 174.600 -0.014 0.000 1.295 158 S CA 0.785 59.005 58.200 0.033 0.000 1.277 158 S CB -2.059 61.164 63.200 0.039 0.000 1.557 158 S HN 0.761 nan 8.310 nan 0.000 0.666 159 A N 0.826 123.617 122.820 -0.048 0.000 2.303 159 A HA 0.722 5.042 4.320 -0.000 0.000 0.317 159 A C 0.025 177.378 177.584 -0.385 0.000 1.149 159 A CA -0.053 51.857 52.037 -0.212 0.000 0.822 159 A CB 1.420 20.259 19.000 -0.268 0.000 1.131 159 A HN 0.846 nan 8.150 nan 0.000 0.493 160 V N 2.056 121.723 119.914 -0.411 0.000 2.427 160 V HA 0.432 4.552 4.120 -0.000 0.000 0.286 160 V C -0.974 174.837 176.094 -0.473 0.000 1.034 160 V CA -0.200 61.867 62.300 -0.389 0.000 0.893 160 V CB 0.635 32.275 31.823 -0.305 0.000 0.982 160 V HN 0.761 nan 8.190 nan 0.000 0.452 161 Y N 1.134 121.434 120.300 0.000 0.000 2.549 161 Y HA 0.384 4.933 4.550 -0.000 0.000 0.339 161 Y C 0.978 176.965 175.900 0.144 0.000 1.053 161 Y CA -1.078 57.121 58.100 0.165 0.000 1.105 161 Y CB 1.316 39.855 38.460 0.132 0.000 1.258 161 Y HN 0.569 nan 8.280 nan 0.000 0.478 162 D N 0.056 120.819 120.400 0.605 0.000 2.323 162 D HA 0.020 4.660 4.640 -0.000 0.000 0.209 162 D C -0.263 176.204 176.300 0.278 0.000 0.973 162 D CA 0.738 55.056 54.000 0.530 0.000 0.874 162 D CB 0.376 41.480 40.800 0.508 0.000 0.930 162 D HN 0.440 nan 8.370 nan 0.000 0.521 163 S N -2.080 113.756 115.700 0.227 0.000 2.570 163 S HA 0.419 4.889 4.470 -0.000 0.000 0.270 163 S C 0.521 175.151 174.600 0.051 0.000 1.149 163 S CA -0.930 57.332 58.200 0.103 0.000 0.837 163 S CB 1.540 64.769 63.200 0.048 0.000 1.124 163 S HN -0.040 nan 8.310 nan 0.000 0.465 164 R N 0.392 120.850 120.500 -0.069 0.000 2.189 164 R HA 0.007 4.347 4.340 -0.000 0.000 0.223 164 R C 2.210 178.458 176.300 -0.086 0.000 1.092 164 R CA 1.264 57.309 56.100 -0.090 0.000 0.989 164 R CB -0.635 29.532 30.300 -0.221 0.000 0.876 164 R HN 0.773 nan 8.270 nan 0.000 0.457 165 A N 1.427 124.182 122.820 -0.107 0.000 1.872 165 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 165 A C 1.483 179.061 177.584 -0.011 0.000 1.187 165 A CA 1.395 53.374 52.037 -0.097 0.000 0.614 165 A CB -0.202 18.724 19.000 -0.123 0.000 0.826 165 A HN 0.091 nan 8.150 nan 0.000 0.442 166 D N 0.315 120.699 120.400 -0.026 0.000 2.097 166 D HA -0.066 4.574 4.640 -0.000 0.000 0.195 166 D C 2.228 178.339 176.300 -0.315 0.000 0.989 166 D CA 1.642 55.606 54.000 -0.060 0.000 0.827 166 D CB -0.476 40.365 40.800 0.068 0.000 0.966 166 D HN 0.395 nan 8.370 nan 0.000 0.456 167 A N 0.242 122.804 122.820 -0.429 0.000 1.933 167 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 167 A C 2.116 179.519 177.584 -0.302 0.000 1.175 167 A CA 1.095 52.667 52.037 -0.775 0.000 0.628 167 A CB -1.021 17.846 19.000 -0.222 0.000 0.814 167 A HN 0.301 nan 8.150 nan 0.000 0.444 168 F N 0.447 120.273 119.950 -0.207 0.000 2.186 168 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 168 F C 2.282 178.102 175.800 0.034 0.000 1.090 168 F CA 1.659 59.616 58.000 -0.071 0.000 1.307 168 F CB -0.090 38.845 39.000 -0.107 0.000 1.019 168 F HN 0.096 nan 8.300 nan 0.000 0.489 169 R N 0.022 120.554 120.500 0.054 0.000 2.193 169 R HA 0.037 4.377 4.340 -0.000 0.000 0.213 169 R C 2.400 178.749 176.300 0.082 0.000 1.055 169 R CA 0.662 56.793 56.100 0.051 0.000 0.995 169 R CB -0.555 29.765 30.300 0.032 0.000 0.893 169 R HN 0.368 nan 8.270 nan 0.000 0.459 170 A N 1.379 124.150 122.820 -0.081 0.000 1.986 170 A HA -0.163 4.156 4.320 -0.000 0.000 0.220 170 A C 2.196 179.785 177.584 0.009 0.000 1.171 170 A CA 1.805 53.812 52.037 -0.050 0.000 0.640 170 A CB -0.420 18.468 19.000 -0.186 0.000 0.811 170 A HN 0.372 nan 8.150 nan 0.000 0.451 171 A N -2.098 120.696 122.820 -0.044 0.000 2.235 171 A HA 0.345 4.665 4.320 -0.000 0.000 0.208 171 A C 0.600 177.976 177.584 -0.346 0.000 1.172 171 A CA 0.292 52.211 52.037 -0.197 0.000 0.786 171 A CB -0.474 18.319 19.000 -0.346 0.000 0.804 171 A HN 0.398 nan 8.150 nan 0.000 0.479 172 F N -0.293 119.593 119.950 -0.106 0.000 2.928 172 F HA 0.470 4.997 4.527 -0.000 0.000 0.337 172 F C 1.074 176.892 175.800 0.031 0.000 1.259 172 F CA -0.368 57.602 58.000 -0.050 0.000 1.267 172 F CB 0.474 39.438 39.000 -0.060 0.000 0.986 172 F HN 0.153 nan 8.300 nan 0.000 0.507 173 G N -0.475 108.408 108.800 0.138 0.000 3.108 173 G HA2 0.539 4.499 3.960 -0.000 0.000 0.268 173 G HA3 0.539 4.499 3.960 -0.000 0.000 0.268 173 G C -1.008 173.959 174.900 0.111 0.000 1.361 173 G CA -0.761 44.438 45.100 0.164 0.000 1.047 173 G HN -0.152 nan 8.290 nan 0.000 0.540 174 V N 0.802 120.789 119.914 0.121 0.000 2.450 174 V HA 0.464 4.584 4.120 -0.000 0.000 0.281 174 V C 0.663 176.805 176.094 0.079 0.000 1.019 174 V CA 0.582 62.932 62.300 0.084 0.000 1.062 174 V CB -0.033 31.844 31.823 0.090 0.000 0.979 174 V HN 1.040 nan 8.190 nan 0.000 0.477 175 A N 5.271 128.135 122.820 0.072 0.000 2.515 175 A HA 0.877 5.197 4.320 -0.000 0.000 0.298 175 A C -0.529 177.111 177.584 0.094 0.000 1.059 175 A CA -0.626 51.457 52.037 0.076 0.000 0.698 175 A CB 1.153 20.184 19.000 0.051 0.000 1.289 175 A HN 0.815 nan 8.150 nan 0.000 0.404 176 L N -1.246 120.039 121.223 0.104 0.000 7.336 176 L HA -0.153 4.187 4.340 -0.000 0.000 0.172 176 L C 0.484 177.438 176.870 0.141 0.000 1.169 176 L CA 0.674 55.586 54.840 0.119 0.000 1.369 176 L CB -0.809 41.320 42.059 0.116 0.000 2.701 176 L HN 1.977 nan 8.230 nan 0.000 1.115 177 A N 0.275 123.176 122.820 0.135 0.000 3.426 177 A HA 0.369 4.689 4.320 -0.000 0.000 0.222 177 A C -0.039 177.584 177.584 0.065 0.000 1.090 177 A CA 0.183 52.292 52.037 0.121 0.000 1.026 177 A CB -0.170 18.967 19.000 0.228 0.000 1.342 177 A HN 0.738 nan 8.150 nan 0.000 0.695 178 D N 0.252 120.746 120.400 0.157 0.000 2.336 178 D HA 0.376 5.016 4.640 -0.000 0.000 0.228 178 D C 0.400 176.973 176.300 0.454 0.000 1.120 178 D CA 0.562 54.753 54.000 0.319 0.000 0.839 178 D CB 0.357 41.363 40.800 0.342 0.000 0.932 178 D HN 0.479 nan 8.370 nan 0.000 0.509 179 A N 0.617 123.499 122.820 0.103 0.000 2.304 179 A HA 0.496 4.816 4.320 -0.000 0.000 0.323 179 A C -0.741 176.860 177.584 0.027 0.000 1.195 179 A CA -0.684 51.400 52.037 0.079 0.000 0.826 179 A CB 0.686 19.386 19.000 -0.500 0.000 1.184 179 A HN 0.339 nan 8.150 nan 0.000 0.496 180 H N 1.831 121.031 119.070 0.217 0.000 2.646 180 H HA 0.154 4.710 4.556 -0.000 0.000 0.328 180 H C -1.505 173.968 175.328 0.242 0.000 0.998 180 H CA -0.340 55.811 56.048 0.172 0.000 1.225 180 H CB 1.397 31.189 29.762 0.051 0.000 1.457 180 H HN 0.800 nan 8.280 nan 0.000 0.505 181 W N 6.797 128.165 121.300 0.113 0.000 2.365 181 W HA 0.155 4.815 4.660 -0.000 0.000 0.371 181 W C 0.613 177.184 176.519 0.085 0.000 1.006 181 W CA -0.951 56.455 57.345 0.102 0.000 1.528 181 W CB -0.202 29.303 29.460 0.076 0.000 1.497 181 W HN 0.499 nan 8.180 nan 0.000 0.367 182 V N 1.460 121.578 119.914 0.340 0.000 2.788 182 V HA 0.072 4.192 4.120 -0.000 0.000 0.251 182 V C 0.225 176.447 176.094 0.213 0.000 1.068 182 V CA 1.527 63.937 62.300 0.184 0.000 1.090 182 V CB -0.365 31.566 31.823 0.180 0.000 0.710 182 V HN 0.411 nan 8.190 nan 0.000 0.467 183 D N -1.918 118.620 120.400 0.230 0.000 2.677 183 D HA 0.173 4.812 4.640 -0.000 0.000 0.298 183 D C 0.888 177.297 176.300 0.182 0.000 1.250 183 D CA -0.309 53.775 54.000 0.140 0.000 0.888 183 D CB 1.394 42.292 40.800 0.164 0.000 1.397 183 D HN -0.091 nan 8.370 nan 0.000 0.461 184 K N -1.046 119.421 120.400 0.113 0.000 2.071 184 K HA -0.238 4.082 4.320 -0.000 0.000 0.217 184 K C 1.182 178.034 176.600 0.420 0.000 1.054 184 K CA 2.785 59.185 56.287 0.189 0.000 0.937 184 K CB -0.458 32.098 32.500 0.093 0.000 0.719 184 K HN 0.637 nan 8.250 nan 0.000 0.454 185 T N -2.848 111.891 114.554 0.309 0.000 3.084 185 T HA 0.181 4.531 4.350 -0.000 0.000 0.270 185 T C -0.060 174.780 174.700 0.235 0.000 1.008 185 T CA -0.598 61.655 62.100 0.256 0.000 0.900 185 T CB 0.666 69.628 68.868 0.156 0.000 1.084 185 T HN -0.044 nan 8.240 nan 0.000 0.538 186 T N 3.521 118.259 114.554 0.308 0.000 2.779 186 T HA 0.629 4.978 4.350 -0.000 0.000 0.280 186 T C -1.155 173.739 174.700 0.323 0.000 0.987 186 T CA -0.703 61.557 62.100 0.267 0.000 0.966 186 T CB 1.687 70.693 68.868 0.230 0.000 0.933 186 T HN 0.161 nan 8.240 nan 0.000 0.442 187 L N 5.049 126.431 121.223 0.265 0.000 2.376 187 L HA 0.562 4.901 4.340 -0.000 0.000 0.275 187 L C -1.366 175.747 176.870 0.404 0.000 0.987 187 L CA -0.840 54.170 54.840 0.284 0.000 0.828 187 L CB 1.180 43.324 42.059 0.142 0.000 1.249 187 L HN 0.663 nan 8.230 nan 0.000 0.409 188 L N 5.453 126.924 121.223 0.414 0.000 2.265 188 L HA 0.415 4.755 4.340 -0.000 0.000 0.289 188 L C -1.392 175.891 176.870 0.688 0.000 1.033 188 L CA -0.412 54.711 54.840 0.472 0.000 0.814 188 L CB 1.506 43.756 42.059 0.318 0.000 1.203 188 L HN 0.638 nan 8.230 nan 0.000 0.423 189 W N 7.534 129.098 121.300 0.440 0.000 3.216 189 W HA 0.418 5.078 4.660 -0.000 0.000 0.335 189 W C -2.605 174.056 176.519 0.237 0.000 1.077 189 W CA -1.733 55.806 57.345 0.322 0.000 1.252 189 W CB 1.768 31.370 29.460 0.238 0.000 1.312 189 W HN 0.146 nan 8.180 nan 0.000 0.446 190 P HA -0.074 nan 4.420 nan 0.000 0.215 190 P C 1.716 178.672 177.300 -0.573 0.000 1.153 190 P CA 2.716 65.607 63.100 -0.348 0.000 0.853 190 P CB 0.149 31.618 31.700 -0.384 0.000 0.788 191 G N -0.710 107.382 108.800 -1.180 0.000 2.535 191 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 191 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 191 G C 1.485 175.590 174.900 -1.326 0.000 1.122 191 G CA 0.779 45.101 45.100 -1.297 0.000 0.769 191 G HN 0.402 nan 8.290 nan 0.000 0.549 192 G N -0.514 107.563 108.800 -1.206 0.000 2.939 192 G HA2 0.152 4.112 3.960 -0.000 0.000 0.210 192 G HA3 0.152 4.112 3.960 -0.000 0.000 0.210 192 G C 0.483 175.436 174.900 0.088 0.000 1.160 192 G CA -0.254 44.512 45.100 -0.557 0.000 0.770 192 G HN 0.479 nan 8.290 nan 0.000 0.543 193 E N 0.982 121.205 120.200 0.038 0.000 2.452 193 E HA -0.016 4.333 4.350 -0.000 0.000 0.261 193 E C 0.053 176.658 176.600 0.009 0.000 0.987 193 E CA -0.130 56.301 56.400 0.051 0.000 0.926 193 E CB -0.141 29.526 29.700 -0.056 0.000 0.934 193 E HN 0.417 nan 8.360 nan 0.000 0.452 194 N N 2.667 121.389 118.700 0.037 0.000 2.705 194 N HA -0.251 4.489 4.740 -0.000 0.000 0.255 194 N C -1.185 174.333 175.510 0.012 0.000 1.008 194 N CA 0.429 53.491 53.050 0.019 0.000 0.742 194 N CB -0.463 38.021 38.487 -0.006 0.000 0.906 194 N HN 0.251 nan 8.380 nan 0.000 0.541 195 K N 0.095 120.516 120.400 0.035 0.000 2.579 195 K HA 0.321 4.641 4.320 -0.000 0.000 0.250 195 K C -1.882 174.736 176.600 0.029 0.000 0.952 195 K CA -2.084 54.206 56.287 0.005 0.000 0.857 195 K CB 1.582 34.051 32.500 -0.051 0.000 1.123 195 K HN -0.269 nan 8.250 nan 0.000 0.433 196 P HA -0.169 nan 4.420 nan 0.000 0.218 196 P C -0.474 176.843 177.300 0.028 0.000 1.154 196 P CA 1.282 64.400 63.100 0.030 0.000 0.872 196 P CB 0.194 31.906 31.700 0.020 0.000 0.790 197 I N -0.995 119.580 120.570 0.008 0.000 2.382 197 I HA 0.210 4.380 4.170 -0.000 0.000 0.286 197 I C -0.798 175.305 176.117 -0.023 0.000 1.002 197 I CA -0.794 60.503 61.300 -0.004 0.000 1.135 197 I CB 2.322 40.310 38.000 -0.020 0.000 1.288 197 I HN -0.415 nan 8.210 nan 0.000 0.448 198 V N 7.119 127.013 119.914 -0.033 0.000 2.443 198 V HA 0.539 4.659 4.120 -0.000 0.000 0.293 198 V C -0.180 175.878 176.094 -0.059 0.000 1.021 198 V CA -0.559 61.684 62.300 -0.096 0.000 0.848 198 V CB 1.692 33.315 31.823 -0.333 0.000 0.998 198 V HN 0.721 nan 8.190 nan 0.000 0.424 199 R N 3.573 124.061 120.500 -0.020 0.000 2.836 199 R HA 0.713 5.053 4.340 -0.000 0.000 0.269 199 R C -1.635 174.677 176.300 0.020 0.000 1.010 199 R CA -1.065 55.038 56.100 0.004 0.000 0.930 199 R CB 2.517 32.771 30.300 -0.076 0.000 1.218 199 R HN 0.477 nan 8.270 nan 0.000 0.473 200 L N 2.329 123.557 121.223 0.009 0.000 2.337 200 L HA 0.406 4.746 4.340 -0.000 0.000 0.269 200 L C -1.503 175.434 176.870 0.111 0.000 1.018 200 L CA -0.445 54.389 54.840 -0.010 0.000 0.876 200 L CB 0.349 42.312 42.059 -0.161 0.000 1.236 200 L HN 0.434 nan 8.230 nan 0.000 0.436 201 Y N 4.475 124.780 120.300 0.007 0.000 2.304 201 Y HA 0.481 5.031 4.550 -0.000 0.000 0.327 201 Y C -0.242 175.713 175.900 0.092 0.000 1.209 201 Y CA 0.155 58.281 58.100 0.043 0.000 1.299 201 Y CB 0.905 39.353 38.460 -0.020 0.000 1.249 201 Y HN 0.579 nan 8.280 nan 0.000 0.519 202 Y N -1.380 118.995 120.300 0.126 0.000 2.544 202 Y HA 0.688 5.237 4.550 -0.000 0.000 0.342 202 Y C -1.019 174.915 175.900 0.058 0.000 1.062 202 Y CA -1.367 56.763 58.100 0.051 0.000 1.023 202 Y CB 1.700 40.170 38.460 0.016 0.000 1.308 202 Y HN 0.418 nan 8.280 nan 0.000 0.457 203 S N 1.056 116.849 115.700 0.155 0.000 2.619 203 S HA 0.236 4.706 4.470 -0.000 0.000 0.280 203 S C -0.191 174.469 174.600 0.100 0.000 1.150 203 S CA -0.448 57.812 58.200 0.100 0.000 0.978 203 S CB 0.599 63.821 63.200 0.037 0.000 1.041 203 S HN 1.002 nan 8.310 nan 0.000 0.485 204 H N 3.898 123.013 119.070 0.076 0.000 2.326 204 H HA 0.117 4.673 4.556 -0.000 0.000 0.301 204 H C 1.291 176.626 175.328 0.013 0.000 1.081 204 H CA 2.604 58.679 56.048 0.046 0.000 1.334 204 H CB 0.339 30.141 29.762 0.067 0.000 1.385 204 H HN 0.491 nan 8.280 nan 0.000 0.504 205 S N -1.002 114.736 115.700 0.062 0.000 2.666 205 S HA 0.295 4.765 4.470 -0.000 0.000 0.239 205 S C -0.164 174.450 174.600 0.024 0.000 1.031 205 S CA -0.337 57.870 58.200 0.010 0.000 1.015 205 S CB 1.067 64.330 63.200 0.105 0.000 0.981 205 S HN 0.177 nan 8.310 nan 0.000 0.547 206 S N 1.408 117.123 115.700 0.025 0.000 2.638 206 S HA 0.476 4.946 4.470 -0.000 0.000 0.302 206 S C -0.578 174.035 174.600 0.022 0.000 1.096 206 S CA -0.831 57.385 58.200 0.028 0.000 0.953 206 S CB 1.859 65.078 63.200 0.031 0.000 1.107 206 S HN 0.242 nan 8.310 nan 0.000 0.503 207 K N 1.625 122.048 120.400 0.037 0.000 2.201 207 K HA 0.416 4.736 4.320 -0.000 0.000 0.278 207 K C -0.978 175.648 176.600 0.043 0.000 1.027 207 K CA -0.432 55.886 56.287 0.051 0.000 0.909 207 K CB 0.555 33.092 32.500 0.061 0.000 1.062 207 K HN 0.388 nan 8.250 nan 0.000 0.465 208 V N 3.482 123.432 119.914 0.059 0.000 2.479 208 V HA 0.392 4.511 4.120 -0.000 0.000 0.281 208 V C 0.057 176.206 176.094 0.092 0.000 1.031 208 V CA 0.090 62.444 62.300 0.090 0.000 1.038 208 V CB 0.294 32.187 31.823 0.118 0.000 0.981 208 V HN 0.913 nan 8.190 nan 0.000 0.478 209 A N 4.556 127.378 122.820 0.003 0.000 2.594 209 A HA 0.819 5.139 4.320 -0.000 0.000 0.296 209 A C -0.282 176.957 177.584 -0.575 0.000 1.061 209 A CA -0.205 51.740 52.037 -0.154 0.000 0.689 209 A CB 1.040 19.993 19.000 -0.078 0.000 1.280 209 A HN 1.466 nan 8.150 nan 0.000 0.406 210 A N 1.590 123.776 122.820 -1.056 0.000 2.511 210 A HA 0.473 4.793 4.320 -0.000 0.000 0.242 210 A C 0.416 177.717 177.584 -0.472 0.000 1.069 210 A CA 0.679 52.029 52.037 -1.144 0.000 0.763 210 A CB -0.510 17.940 19.000 -0.917 0.000 1.001 210 A HN 1.155 nan 8.150 nan 0.000 0.498 211 D N 1.150 121.344 120.400 -0.343 0.000 2.398 211 D HA 0.222 4.862 4.640 -0.000 0.000 0.264 211 D C 1.409 177.632 176.300 -0.130 0.000 1.263 211 D CA 0.200 54.094 54.000 -0.177 0.000 1.037 211 D CB -0.038 40.691 40.800 -0.117 0.000 1.101 211 D HN 0.446 nan 8.370 nan 0.000 0.551 212 S N -1.044 114.608 115.700 -0.081 0.000 2.419 212 S HA -0.232 4.238 4.470 -0.000 0.000 0.233 212 S C 1.085 175.655 174.600 -0.051 0.000 1.016 212 S CA 1.051 59.217 58.200 -0.057 0.000 0.974 212 S CB -0.994 62.182 63.200 -0.041 0.000 0.786 212 S HN 0.562 nan 8.310 nan 0.000 0.492 213 N N 1.137 119.805 118.700 -0.053 0.000 2.461 213 N HA 0.262 5.002 4.740 -0.000 0.000 0.188 213 N C 0.960 176.444 175.510 -0.044 0.000 1.134 213 N CA 0.183 53.210 53.050 -0.039 0.000 0.878 213 N CB -0.031 38.440 38.487 -0.027 0.000 0.972 213 N HN 0.644 nan 8.380 nan 0.000 0.456 214 G N 1.276 110.031 108.800 -0.075 0.000 2.147 214 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.244 214 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.244 214 G C -0.299 174.561 174.900 -0.066 0.000 1.005 214 G CA 0.082 45.136 45.100 -0.078 0.000 0.713 214 G HN 0.400 nan 8.290 nan 0.000 0.515 215 E N -1.253 118.888 120.200 -0.098 0.000 2.235 215 E HA 0.658 5.008 4.350 -0.000 0.000 0.265 215 E C -0.903 175.613 176.600 -0.140 0.000 0.940 215 E CA -1.038 55.356 56.400 -0.010 0.000 0.819 215 E CB 1.033 30.750 29.700 0.029 0.000 1.206 215 E HN 0.071 nan 8.360 nan 0.000 0.409 216 F N 1.269 121.194 119.950 -0.040 0.000 2.293 216 F HA 0.174 4.700 4.527 -0.000 0.000 0.370 216 F C 0.986 176.833 175.800 0.078 0.000 1.090 216 F CA -0.250 57.721 58.000 -0.049 0.000 1.133 216 F CB 1.169 40.015 39.000 -0.256 0.000 1.360 216 F HN 0.334 nan 8.300 nan 0.000 0.489 217 S N -0.095 115.695 115.700 0.150 0.000 2.527 217 S HA -0.045 4.425 4.470 -0.000 0.000 0.222 217 S C 0.382 175.082 174.600 0.166 0.000 0.985 217 S CA -0.032 58.254 58.200 0.143 0.000 0.921 217 S CB -0.335 62.900 63.200 0.058 0.000 0.772 217 S HN 0.492 nan 8.310 nan 0.000 0.529 218 D N 2.566 123.091 120.400 0.208 0.000 2.390 218 D HA 0.130 4.770 4.640 -0.000 0.000 0.236 218 D C 0.325 176.697 176.300 0.121 0.000 1.189 218 D CA 0.510 54.603 54.000 0.155 0.000 0.887 218 D CB 0.444 41.362 40.800 0.198 0.000 1.198 218 D HN 0.190 nan 8.370 nan 0.000 0.444 219 K N 0.461 120.761 120.400 -0.167 0.000 2.219 219 K HA 0.367 4.687 4.320 -0.000 0.000 0.258 219 K C -0.330 175.887 176.600 -0.639 0.000 1.008 219 K CA -0.240 55.793 56.287 -0.423 0.000 0.928 219 K CB 0.572 32.706 32.500 -0.610 0.000 0.983 219 K HN 0.467 nan 8.250 nan 0.000 0.484 220 Y N -3.304 116.597 120.300 -0.665 0.000 2.764 220 Y HA 0.653 5.203 4.550 -0.000 0.000 0.331 220 Y C -1.548 174.253 175.900 -0.166 0.000 1.280 220 Y CA -1.451 56.299 58.100 -0.584 0.000 1.065 220 Y CB 0.879 38.558 38.460 -1.302 0.000 1.319 220 Y HN 0.171 nan 8.280 nan 0.000 0.453 221 V N 1.594 121.529 119.914 0.036 0.000 2.709 221 V HA 0.412 4.532 4.120 -0.000 0.000 0.308 221 V C -0.706 175.451 176.094 0.105 0.000 1.062 221 V CA -1.427 60.871 62.300 -0.003 0.000 0.901 221 V CB 1.944 33.768 31.823 0.000 0.000 1.003 221 V HN 0.709 nan 8.190 nan 0.000 0.425 222 K N 3.853 124.305 120.400 0.087 0.000 2.270 222 K HA 0.603 4.923 4.320 -0.000 0.000 0.276 222 K C -1.007 175.630 176.600 0.062 0.000 1.023 222 K CA -0.192 56.164 56.287 0.114 0.000 0.955 222 K CB 0.832 33.398 32.500 0.111 0.000 0.975 222 K HN 0.429 nan 8.250 nan 0.000 0.471 223 L N 1.595 122.853 121.223 0.059 0.000 2.334 223 L HA 0.482 4.822 4.340 -0.000 0.000 0.273 223 L C 0.048 177.013 176.870 0.157 0.000 1.013 223 L CA -0.778 54.112 54.840 0.084 0.000 0.816 223 L CB 2.081 44.146 42.059 0.010 0.000 1.278 223 L HN 0.758 nan 8.230 nan 0.000 0.431 224 T N -0.759 113.936 114.554 0.234 0.000 2.912 224 T HA 0.533 4.883 4.350 -0.000 0.000 0.299 224 T C -2.873 171.998 174.700 0.285 0.000 1.052 224 T CA -2.315 59.927 62.100 0.237 0.000 0.996 224 T CB 1.940 70.890 68.868 0.135 0.000 1.070 224 T HN 0.140 nan 8.240 nan 0.000 0.465 225 P HA 0.321 nan 4.420 nan 0.000 0.262 225 P C -0.245 177.041 177.300 -0.023 0.000 1.182 225 P CA 0.317 63.419 63.100 0.003 0.000 0.761 225 P CB 0.632 32.335 31.700 0.004 0.000 0.795 226 T N 0.873 115.368 114.554 -0.098 0.000 2.681 226 T HA 0.663 5.013 4.350 -0.000 0.000 0.296 226 T C -1.262 173.400 174.700 -0.063 0.000 1.157 226 T CA -0.506 61.572 62.100 -0.038 0.000 1.025 226 T CB 0.973 69.851 68.868 0.016 0.000 1.441 226 T HN 0.347 nan 8.240 nan 0.000 0.504 227 T N -0.080 114.461 114.554 -0.021 0.000 2.786 227 T HA 0.596 4.946 4.350 -0.000 0.000 0.283 227 T C 0.101 174.806 174.700 0.009 0.000 0.992 227 T CA -0.649 61.442 62.100 -0.016 0.000 0.954 227 T CB 1.028 69.892 68.868 -0.006 0.000 0.934 227 T HN 0.664 nan 8.240 nan 0.000 0.440 228 V N 5.451 125.373 119.914 0.014 0.000 2.681 228 V HA 0.090 4.210 4.120 -0.000 0.000 0.306 228 V C 0.835 176.953 176.094 0.040 0.000 1.077 228 V CA 0.023 62.347 62.300 0.041 0.000 1.224 228 V CB -0.800 31.050 31.823 0.045 0.000 0.879 228 V HN 1.088 nan 8.190 nan 0.000 0.494 229 N N 4.133 122.864 118.700 0.053 0.000 2.424 229 N HA 0.112 4.852 4.740 -0.000 0.000 0.257 229 N C 0.735 176.269 175.510 0.040 0.000 1.250 229 N CA -0.337 52.740 53.050 0.044 0.000 0.946 229 N CB 0.741 39.258 38.487 0.051 0.000 1.175 229 N HN 0.806 nan 8.380 nan 0.000 0.477 230 Q N 0.064 119.881 119.800 0.029 0.000 2.170 230 Q HA -0.255 4.085 4.340 -0.000 0.000 0.203 230 Q C 1.400 177.412 176.000 0.019 0.000 0.976 230 Q CA 1.669 57.485 55.803 0.022 0.000 0.858 230 Q CB 0.067 28.815 28.738 0.017 0.000 0.907 230 Q HN 0.679 nan 8.270 nan 0.000 0.433 231 Q N -0.282 119.532 119.800 0.024 0.000 2.002 231 Q HA -0.149 4.190 4.340 -0.000 0.000 0.204 231 Q C 2.126 178.133 176.000 0.013 0.000 0.988 231 Q CA 1.999 57.811 55.803 0.016 0.000 0.843 231 Q CB -0.448 28.307 28.738 0.029 0.000 0.908 231 Q HN 0.211 nan 8.270 nan 0.000 0.420 232 V N 0.176 120.125 119.914 0.058 0.000 2.490 232 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 232 V C 2.296 178.440 176.094 0.084 0.000 1.061 232 V CA 1.771 64.139 62.300 0.114 0.000 1.064 232 V CB -0.735 31.194 31.823 0.175 0.000 0.670 232 V HN 0.413 nan 8.190 nan 0.000 0.461 233 S N -0.528 115.202 115.700 0.051 0.000 2.356 233 S HA -0.217 4.252 4.470 -0.000 0.000 0.223 233 S C 2.006 176.613 174.600 0.011 0.000 1.032 233 S CA 1.925 60.146 58.200 0.036 0.000 1.005 233 S CB -0.244 62.973 63.200 0.028 0.000 0.867 233 S HN 0.527 nan 8.310 nan 0.000 0.449 234 M N 0.265 119.857 119.600 -0.014 0.000 2.175 234 M HA -0.018 4.461 4.480 -0.000 0.000 0.264 234 M C 2.437 178.677 176.300 -0.100 0.000 1.063 234 M CA 1.199 56.479 55.300 -0.033 0.000 1.119 234 M CB -0.299 32.283 32.600 -0.030 0.000 1.377 234 M HN 0.262 nan 8.290 nan 0.000 0.415 235 R N -0.330 120.039 120.500 -0.219 0.000 2.075 235 R HA -0.030 4.309 4.340 -0.000 0.000 0.232 235 R C 0.012 175.856 176.300 -0.760 0.000 1.126 235 R CA 0.931 56.688 56.100 -0.572 0.000 0.963 235 R CB 0.071 29.864 30.300 -0.845 0.000 0.858 235 R HN 0.237 nan 8.270 nan 0.000 0.435 236 F N -0.475 119.523 119.950 0.080 0.000 2.622 236 F HA 0.328 4.855 4.527 -0.000 0.000 0.338 236 F C -1.947 173.842 175.800 -0.019 0.000 1.334 236 F CA -2.271 55.770 58.000 0.067 0.000 1.179 236 F CB 1.782 40.716 39.000 -0.110 0.000 1.471 236 F HN -0.212 nan 8.300 nan 0.000 0.576 237 P HA -0.208 nan 4.420 nan 0.000 0.217 237 P C 1.176 178.531 177.300 0.093 0.000 1.148 237 P CA 1.762 64.931 63.100 0.115 0.000 0.828 237 P CB -0.200 31.566 31.700 0.111 0.000 0.783 238 H N -2.263 116.808 119.070 0.002 0.000 2.559 238 H HA 0.132 4.688 4.556 -0.000 0.000 0.273 238 H C 1.294 176.513 175.328 -0.182 0.000 1.000 238 H CA 0.448 56.463 56.048 -0.056 0.000 1.195 238 H CB -0.841 28.891 29.762 -0.051 0.000 1.368 238 H HN 0.141 nan 8.280 nan 0.000 0.592 239 L N -0.059 120.788 121.223 -0.626 0.000 2.858 239 L HA 0.435 4.775 4.340 -0.000 0.000 0.251 239 L C 2.243 178.874 176.870 -0.398 0.000 1.149 239 L CA 0.296 54.604 54.840 -0.887 0.000 0.955 239 L CB 0.226 41.663 42.059 -1.038 0.000 1.289 239 L HN 0.388 nan 8.230 nan 0.000 0.542 240 A N 0.779 123.503 122.820 -0.160 0.000 2.076 240 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 240 A C 2.313 179.913 177.584 0.027 0.000 1.160 240 A CA 2.065 54.084 52.037 -0.030 0.000 0.653 240 A CB -0.366 18.636 19.000 0.003 0.000 0.801 240 A HN 0.489 nan 8.150 nan 0.000 0.455 241 S N -2.212 113.530 115.700 0.070 0.000 2.556 241 S HA 0.217 4.686 4.470 -0.000 0.000 0.216 241 S C 0.318 175.056 174.600 0.230 0.000 0.970 241 S CA -0.634 57.644 58.200 0.129 0.000 0.912 241 S CB -0.508 62.765 63.200 0.121 0.000 0.790 241 S HN 0.495 nan 8.310 nan 0.000 0.504 242 Y N 2.441 122.732 120.300 -0.014 0.000 2.336 242 Y HA 0.311 4.861 4.550 -0.000 0.000 0.331 242 Y C -2.176 173.715 175.900 -0.015 0.000 1.211 242 Y CA -2.709 55.394 58.100 0.004 0.000 1.346 242 Y CB 0.261 38.740 38.460 0.031 0.000 1.271 242 Y HN 0.128 nan 8.280 nan 0.000 0.538 243 P HA 0.027 nan 4.420 nan 0.000 0.267 243 P C -1.179 176.028 177.300 -0.154 0.000 1.205 243 P CA 0.144 63.187 63.100 -0.095 0.000 0.765 243 P CB 0.608 32.238 31.700 -0.117 0.000 0.828 244 A N 3.607 126.250 122.820 -0.295 0.000 2.303 244 A HA 0.738 5.058 4.320 -0.000 0.000 0.317 244 A C -0.925 176.328 177.584 -0.552 0.000 1.149 244 A CA -0.247 51.658 52.037 -0.220 0.000 0.822 244 A CB 0.208 19.168 19.000 -0.066 0.000 1.131 244 A HN 0.391 nan 8.150 nan 0.000 0.493 245 F N 1.009 121.034 119.950 0.125 0.000 2.565 245 F HA 0.477 5.004 4.527 -0.000 0.000 0.313 245 F C 0.336 176.185 175.800 0.082 0.000 1.091 245 F CA -0.685 57.377 58.000 0.103 0.000 0.915 245 F CB 2.234 41.310 39.000 0.127 0.000 1.208 245 F HN 0.369 nan 8.300 nan 0.000 0.453 246 K N 3.689 124.233 120.400 0.239 0.000 2.206 246 K HA 0.548 4.868 4.320 -0.000 0.000 0.264 246 K C -1.056 175.616 176.600 0.120 0.000 0.967 246 K CA -0.354 56.024 56.287 0.152 0.000 0.844 246 K CB 1.379 33.946 32.500 0.111 0.000 1.099 246 K HN 0.707 nan 8.250 nan 0.000 0.441 247 L N 5.616 126.889 121.223 0.084 0.000 2.379 247 L HA 0.407 4.747 4.340 -0.000 0.000 0.269 247 L C -1.801 175.101 176.870 0.052 0.000 1.084 247 L CA -2.060 52.801 54.840 0.035 0.000 0.802 247 L CB 1.580 43.629 42.059 -0.017 0.000 1.175 247 L HN 0.487 nan 8.230 nan 0.000 0.448 248 P HA 0.014 nan 4.420 nan 0.000 0.269 248 P C -0.728 176.599 177.300 0.045 0.000 1.209 248 P CA -0.146 62.975 63.100 0.036 0.000 0.776 248 P CB 0.776 32.487 31.700 0.018 0.000 0.876 249 D N 0.789 121.216 120.400 0.044 0.000 2.263 249 D HA -0.161 4.479 4.640 -0.000 0.000 0.208 249 D C 1.065 177.387 176.300 0.037 0.000 0.971 249 D CA 1.354 55.381 54.000 0.046 0.000 0.867 249 D CB -0.372 40.450 40.800 0.038 0.000 0.929 249 D HN 0.519 nan 8.370 nan 0.000 0.492 250 D N 0.338 120.754 120.400 0.026 0.000 2.328 250 D HA -0.050 4.590 4.640 -0.000 0.000 0.226 250 D C 0.598 176.907 176.300 0.015 0.000 1.066 250 D CA -0.249 53.761 54.000 0.017 0.000 0.861 250 D CB -0.503 40.302 40.800 0.009 0.000 0.912 250 D HN 0.054 nan 8.370 nan 0.000 0.521 251 V N 1.202 121.132 119.914 0.028 0.000 2.673 251 V HA -0.046 4.073 4.120 -0.000 0.000 0.303 251 V C 0.287 176.401 176.094 0.034 0.000 1.046 251 V CA -0.091 62.224 62.300 0.026 0.000 1.126 251 V CB 0.159 32.017 31.823 0.059 0.000 0.934 251 V HN 0.283 nan 8.190 nan 0.000 0.487 252 N N 4.683 123.382 118.700 -0.001 0.000 2.968 252 N HA 0.143 4.883 4.740 -0.000 0.000 0.271 252 N C 1.137 176.667 175.510 0.033 0.000 1.174 252 N CA 0.104 53.154 53.050 -0.001 0.000 1.096 252 N CB 0.776 39.242 38.487 -0.034 0.000 1.403 252 N HN 0.765 nan 8.380 nan 0.000 0.522 253 V N 0.308 120.279 119.914 0.094 0.000 2.282 253 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 253 V C 1.771 177.905 176.094 0.067 0.000 1.057 253 V CA 2.141 64.531 62.300 0.149 0.000 1.032 253 V CB -0.703 31.136 31.823 0.026 0.000 0.645 253 V HN 0.516 nan 8.190 nan 0.000 0.447 254 D N 0.434 120.861 120.400 0.045 0.000 2.116 254 D HA -0.257 4.383 4.640 -0.000 0.000 0.193 254 D C 2.104 178.455 176.300 0.084 0.000 0.998 254 D CA 1.874 55.933 54.000 0.098 0.000 0.836 254 D CB -0.221 40.641 40.800 0.103 0.000 0.951 254 D HN 0.647 nan 8.370 nan 0.000 0.449 255 E N -0.641 119.587 120.200 0.047 0.000 2.072 255 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 255 E C 1.980 178.597 176.600 0.029 0.000 0.985 255 E CA 0.716 57.140 56.400 0.040 0.000 0.801 255 E CB -0.372 29.321 29.700 -0.012 0.000 0.750 255 E HN 0.276 nan 8.360 nan 0.000 0.452 256 L N 0.079 121.283 121.223 -0.032 0.000 2.131 256 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 256 L C 2.107 179.045 176.870 0.114 0.000 1.092 256 L CA 1.177 55.997 54.840 -0.032 0.000 0.759 256 L CB -0.381 41.677 42.059 -0.003 0.000 0.903 256 L HN 0.229 nan 8.230 nan 0.000 0.435 257 L N -1.019 120.276 121.223 0.119 0.000 2.551 257 L HA -0.109 4.231 4.340 -0.000 0.000 0.228 257 L C 2.131 179.027 176.870 0.045 0.000 1.153 257 L CA 0.213 55.100 54.840 0.077 0.000 0.851 257 L CB -0.409 41.663 42.059 0.022 0.000 0.959 257 L HN 0.331 nan 8.230 nan 0.000 0.451 258 Q N -0.032 119.802 119.800 0.057 0.000 2.378 258 Q HA 0.095 4.434 4.340 -0.000 0.000 0.205 258 Q C 1.065 177.012 176.000 -0.088 0.000 0.954 258 Q CA 0.819 56.645 55.803 0.040 0.000 0.901 258 Q CB 0.474 29.311 28.738 0.166 0.000 0.981 258 Q HN 0.519 nan 8.270 nan 0.000 0.483 259 G N -0.174 108.553 108.800 -0.121 0.000 3.183 259 G HA2 0.304 4.263 3.960 -0.000 0.000 0.247 259 G HA3 0.304 4.263 3.960 -0.000 0.000 0.247 259 G C -1.379 173.140 174.900 -0.634 0.000 1.211 259 G CA -0.573 44.325 45.100 -0.336 0.000 0.835 259 G HN 0.060 nan 8.290 nan 0.000 0.604 260 E N -0.144 119.554 120.200 -0.836 0.000 2.313 260 E HA 0.527 4.877 4.350 -0.000 0.000 0.272 260 E C -0.619 175.848 176.600 -0.220 0.000 1.038 260 E CA -0.383 55.503 56.400 -0.857 0.000 0.863 260 E CB 0.993 30.253 29.700 -0.733 0.000 1.060 260 E HN 0.533 nan 8.360 nan 0.000 0.402 261 T N 0.069 114.569 114.554 -0.091 0.000 2.886 261 T HA 0.578 4.927 4.350 -0.000 0.000 0.292 261 T C -0.821 173.885 174.700 0.009 0.000 1.012 261 T CA -0.840 61.283 62.100 0.038 0.000 0.982 261 T CB 1.460 70.383 68.868 0.092 0.000 1.018 261 T HN 0.174 nan 8.240 nan 0.000 0.451 262 V N 1.769 121.686 119.914 0.006 0.000 2.638 262 V HA 0.767 4.887 4.120 -0.000 0.000 0.306 262 V C 0.166 176.158 176.094 -0.171 0.000 1.052 262 V CA -1.114 61.139 62.300 -0.077 0.000 0.885 262 V CB 1.772 33.570 31.823 -0.042 0.000 0.999 262 V HN 1.314 nan 8.190 nan 0.000 0.424 263 A N 6.463 129.032 122.820 -0.419 0.000 2.309 263 A HA 0.831 5.151 4.320 -0.000 0.000 0.290 263 A C -0.531 176.647 177.584 -0.677 0.000 1.206 263 A CA -0.139 51.481 52.037 -0.695 0.000 0.850 263 A CB 0.046 18.229 19.000 -1.363 0.000 1.118 263 A HN 0.753 nan 8.150 nan 0.000 0.523 264 I N 1.614 122.010 120.570 -0.290 0.000 2.569 264 I HA 0.638 4.808 4.170 -0.000 0.000 0.296 264 I C 0.271 176.463 176.117 0.125 0.000 1.028 264 I CA -0.486 60.738 61.300 -0.126 0.000 1.082 264 I CB 2.267 40.001 38.000 -0.444 0.000 1.264 264 I HN 0.699 nan 8.210 nan 0.000 0.429 265 A N 4.278 127.216 122.820 0.197 0.000 2.435 265 A HA 0.997 5.317 4.320 -0.000 0.000 0.304 265 A C -1.031 176.549 177.584 -0.008 0.000 1.064 265 A CA -0.429 51.657 52.037 0.082 0.000 0.727 265 A CB 1.872 20.861 19.000 -0.018 0.000 1.284 265 A HN 0.889 nan 8.150 nan 0.000 0.415 266 A N 0.923 123.728 122.820 -0.026 0.000 2.602 266 A HA 0.772 5.092 4.320 -0.000 0.000 0.290 266 A C -0.921 176.659 177.584 -0.008 0.000 1.114 266 A CA -0.647 51.379 52.037 -0.019 0.000 0.683 266 A CB 0.775 19.747 19.000 -0.046 0.000 1.281 266 A HN 0.691 nan 8.150 nan 0.000 0.416 267 E N 0.429 120.632 120.200 0.004 0.000 2.345 267 E HA 0.245 4.595 4.350 -0.000 0.000 0.259 267 E C 1.457 178.061 176.600 0.006 0.000 1.117 267 E CA 0.489 56.894 56.400 0.008 0.000 0.913 267 E CB 0.813 30.523 29.700 0.016 0.000 1.057 267 E HN 0.756 nan 8.360 nan 0.000 0.432 268 S N 0.530 116.236 115.700 0.010 0.000 2.420 268 S HA -0.247 4.223 4.470 -0.000 0.000 0.237 268 S C 0.935 175.541 174.600 0.009 0.000 1.023 268 S CA 1.854 60.061 58.200 0.011 0.000 0.991 268 S CB -0.416 62.792 63.200 0.014 0.000 0.792 268 S HN 0.569 nan 8.310 nan 0.000 0.488 269 D N -0.008 120.396 120.400 0.007 0.000 2.349 269 D HA 0.365 5.004 4.640 -0.000 0.000 0.224 269 D C 1.388 177.690 176.300 0.003 0.000 1.029 269 D CA 0.514 54.517 54.000 0.005 0.000 0.879 269 D CB -0.534 40.268 40.800 0.002 0.000 0.906 269 D HN 0.570 nan 8.370 nan 0.000 0.528 270 G N 0.086 108.886 108.800 0.000 0.000 2.175 270 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 270 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 270 G C 0.149 175.044 174.900 -0.008 0.000 0.982 270 G CA -0.019 45.079 45.100 -0.003 0.000 0.641 270 G HN 0.416 nan 8.290 nan 0.000 0.527 271 I N 1.791 122.356 120.570 -0.008 0.000 2.452 271 I HA 0.294 4.463 4.170 -0.000 0.000 0.287 271 I C 1.235 177.351 176.117 -0.001 0.000 1.079 271 I CA -0.562 60.729 61.300 -0.015 0.000 1.387 271 I CB 1.113 39.097 38.000 -0.027 0.000 1.404 271 I HN 0.231 nan 8.210 nan 0.000 0.522 272 L N 6.612 127.836 121.223 0.002 0.000 2.490 272 L HA -0.022 4.317 4.340 -0.000 0.000 0.274 272 L C 1.390 178.369 176.870 0.181 0.000 1.201 272 L CA 0.324 55.181 54.840 0.029 0.000 0.869 272 L CB 1.018 43.082 42.059 0.008 0.000 1.123 272 L HN 0.877 nan 8.230 nan 0.000 0.484 273 S N 1.286 117.068 115.700 0.136 0.000 2.502 273 S HA 0.227 4.697 4.470 -0.000 0.000 0.228 273 S C 0.373 175.020 174.600 0.077 0.000 1.061 273 S CA 0.262 58.558 58.200 0.161 0.000 0.935 273 S CB 0.158 63.385 63.200 0.044 0.000 0.809 273 S HN 0.840 nan 8.310 nan 0.000 0.510 274 S N -0.347 115.394 115.700 0.069 0.000 2.611 274 S HA 0.744 5.214 4.470 -0.000 0.000 0.270 274 S C -1.473 173.225 174.600 0.164 0.000 1.131 274 S CA -0.467 57.779 58.200 0.077 0.000 0.826 274 S CB 0.961 64.200 63.200 0.066 0.000 1.095 274 S HN 1.440 nan 8.310 nan 0.000 0.461 275 A N 0.721 123.620 122.820 0.132 0.000 2.488 275 A HA 0.891 5.211 4.320 -0.000 0.000 0.295 275 A C -0.457 177.137 177.584 0.015 0.000 1.045 275 A CA -0.326 51.719 52.037 0.013 0.000 0.703 275 A CB 1.616 20.543 19.000 -0.121 0.000 1.271 275 A HN 1.363 nan 8.150 nan 0.000 0.400 276 T N 0.630 115.103 114.554 -0.134 0.000 2.864 276 T HA 0.516 4.866 4.350 -0.000 0.000 0.299 276 T C -0.611 174.005 174.700 -0.140 0.000 1.166 276 T CA -0.311 61.738 62.100 -0.084 0.000 1.007 276 T CB 1.387 70.253 68.868 -0.004 0.000 1.219 276 T HN 0.741 nan 8.240 nan 0.000 0.506 277 Q N 0.872 120.670 119.800 -0.004 0.000 2.382 277 Q HA 0.555 4.895 4.340 -0.000 0.000 0.229 277 Q C -0.824 175.198 176.000 0.037 0.000 1.006 277 Q CA -0.633 55.204 55.803 0.057 0.000 0.916 277 Q CB 1.233 30.086 28.738 0.192 0.000 1.235 277 Q HN 0.417 nan 8.270 nan 0.000 0.512 278 V N 1.927 121.900 119.914 0.097 0.000 2.459 278 V HA 0.187 4.306 4.120 -0.000 0.000 0.295 278 V C -0.551 175.696 176.094 0.254 0.000 1.029 278 V CA -0.765 61.595 62.300 0.100 0.000 0.874 278 V CB 1.562 33.443 31.823 0.098 0.000 0.985 278 V HN 0.693 nan 8.190 nan 0.000 0.438 279 Q N 2.082 121.954 119.800 0.119 0.000 2.322 279 Q HA 0.298 4.638 4.340 -0.000 0.000 0.256 279 Q C 0.656 176.775 176.000 0.197 0.000 0.960 279 Q CA -0.136 55.777 55.803 0.183 0.000 0.934 279 Q CB 1.318 29.952 28.738 -0.172 0.000 1.200 279 Q HN 0.945 nan 8.270 nan 0.000 0.435 280 T N -2.136 112.568 114.554 0.251 0.000 3.105 280 T HA 0.244 4.593 4.350 -0.000 0.000 0.253 280 T C 1.512 176.266 174.700 0.090 0.000 1.047 280 T CA 0.289 62.485 62.100 0.159 0.000 0.944 280 T CB 0.353 69.300 68.868 0.131 0.000 1.016 280 T HN 0.508 nan 8.240 nan 0.000 0.544 281 A N 2.000 124.885 122.820 0.107 0.000 1.917 281 A HA 0.147 4.466 4.320 -0.000 0.000 0.219 281 A C 2.527 180.107 177.584 -0.006 0.000 1.182 281 A CA 1.853 53.914 52.037 0.040 0.000 0.633 281 A CB -1.586 17.290 19.000 -0.207 0.000 0.819 281 A HN 0.607 nan 8.150 nan 0.000 0.448 282 G N -1.039 107.735 108.800 -0.043 0.000 2.421 282 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 282 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 282 G C 1.617 176.568 174.900 0.084 0.000 1.171 282 G CA 1.214 46.367 45.100 0.089 0.000 0.775 282 G HN 0.596 nan 8.290 nan 0.000 0.543 283 V N 0.585 120.453 119.914 -0.077 0.000 2.626 283 V HA 0.034 4.153 4.120 -0.000 0.000 0.252 283 V C 2.769 178.764 176.094 -0.165 0.000 1.067 283 V CA 1.225 63.366 62.300 -0.265 0.000 1.081 283 V CB -0.198 31.076 31.823 -0.917 0.000 0.686 283 V HN 0.406 nan 8.190 nan 0.000 0.468 284 L N -0.425 120.792 121.223 -0.009 0.000 2.056 284 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 284 L C 2.387 179.439 176.870 0.303 0.000 1.078 284 L CA 1.946 56.899 54.840 0.188 0.000 0.749 284 L CB -0.637 41.561 42.059 0.231 0.000 0.901 284 L HN 0.315 nan 8.230 nan 0.000 0.433 285 D N -0.249 120.320 120.400 0.282 0.000 2.117 285 D HA -0.202 4.438 4.640 -0.000 0.000 0.198 285 D C 1.748 178.129 176.300 0.136 0.000 0.982 285 D CA 1.245 55.398 54.000 0.255 0.000 0.828 285 D CB -0.090 40.853 40.800 0.238 0.000 0.967 285 D HN 0.239 nan 8.370 nan 0.000 0.464 286 D N -0.935 119.513 120.400 0.081 0.000 2.178 286 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 286 D C 1.619 177.887 176.300 -0.054 0.000 0.980 286 D CA 1.300 55.313 54.000 0.023 0.000 0.842 286 D CB 0.155 40.969 40.800 0.023 0.000 0.948 286 D HN 0.064 nan 8.370 nan 0.000 0.472 287 T N -1.625 112.841 114.554 -0.146 0.000 2.939 287 T HA -0.004 4.346 4.350 -0.000 0.000 0.254 287 T C 0.866 175.310 174.700 -0.427 0.000 1.041 287 T CA 0.809 62.672 62.100 -0.395 0.000 1.142 287 T CB -0.105 68.314 68.868 -0.749 0.000 0.874 287 T HN 0.224 nan 8.240 nan 0.000 0.452 288 Y N 0.109 120.474 120.300 0.109 0.000 2.467 288 Y HA 0.591 5.140 4.550 -0.000 0.000 0.259 288 Y C 2.387 178.371 175.900 0.140 0.000 1.084 288 Y CA -0.465 57.741 58.100 0.178 0.000 1.275 288 Y CB -0.577 38.087 38.460 0.341 0.000 1.208 288 Y HN 0.115 nan 8.280 nan 0.000 0.511 289 A N 1.186 124.142 122.820 0.226 0.000 1.884 289 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 289 A C 2.439 180.028 177.584 0.009 0.000 1.197 289 A CA 2.754 54.815 52.037 0.041 0.000 0.637 289 A CB -1.260 17.773 19.000 0.056 0.000 0.827 289 A HN 0.410 nan 8.150 nan 0.000 0.450 290 A N -0.530 122.312 122.820 0.038 0.000 1.883 290 A HA 0.119 4.438 4.320 -0.000 0.000 0.217 290 A C 2.561 180.166 177.584 0.035 0.000 1.186 290 A CA 2.534 54.586 52.037 0.026 0.000 0.624 290 A CB -1.158 17.856 19.000 0.024 0.000 0.822 290 A HN 1.248 nan 8.150 nan 0.000 0.444 291 A N -0.384 122.476 122.820 0.067 0.000 1.933 291 A HA 0.186 4.505 4.320 -0.000 0.000 0.218 291 A C 2.474 180.111 177.584 0.087 0.000 1.175 291 A CA 2.069 54.154 52.037 0.080 0.000 0.628 291 A CB -0.923 18.148 19.000 0.118 0.000 0.814 291 A HN 1.072 nan 8.150 nan 0.000 0.444 292 A N -0.376 122.498 122.820 0.090 0.000 1.968 292 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 292 A C 1.866 179.473 177.584 0.037 0.000 1.169 292 A CA 1.448 53.517 52.037 0.053 0.000 0.638 292 A CB -0.440 18.402 19.000 -0.262 0.000 0.812 292 A HN 0.616 nan 8.150 nan 0.000 0.446 293 E N -0.234 119.951 120.200 -0.024 0.000 2.204 293 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 293 E C 1.950 178.579 176.600 0.049 0.000 0.990 293 E CA 0.774 57.176 56.400 0.003 0.000 0.821 293 E CB -0.201 29.490 29.700 -0.015 0.000 0.750 293 E HN 0.618 nan 8.360 nan 0.000 0.477 294 A N 0.515 123.357 122.820 0.037 0.000 2.235 294 A HA 0.059 4.379 4.320 -0.000 0.000 0.208 294 A C 0.859 178.445 177.584 0.005 0.000 1.172 294 A CA 0.368 52.418 52.037 0.022 0.000 0.786 294 A CB -0.099 18.909 19.000 0.013 0.000 0.804 294 A HN 0.040 nan 8.150 nan 0.000 0.479 295 L N -1.174 120.054 121.223 0.008 0.000 2.331 295 L HA 0.497 4.837 4.340 -0.000 0.000 0.268 295 L C 0.037 176.800 176.870 -0.178 0.000 1.015 295 L CA -0.682 54.080 54.840 -0.130 0.000 0.807 295 L CB 1.857 43.760 42.059 -0.259 0.000 1.293 295 L HN -0.047 nan 8.230 nan 0.000 0.451 296 S N -0.860 114.638 115.700 -0.337 0.000 2.537 296 S HA 0.681 5.151 4.470 -0.000 0.000 0.301 296 S C -1.197 173.041 174.600 -0.603 0.000 1.092 296 S CA -0.429 57.622 58.200 -0.249 0.000 1.048 296 S CB 1.223 64.366 63.200 -0.094 0.000 1.053 296 S HN 0.253 nan 8.310 nan 0.000 0.501 297 Y N 0.339 120.456 120.300 -0.306 0.000 2.630 297 Y HA 0.748 5.298 4.550 -0.000 0.000 0.337 297 Y C 0.885 176.632 175.900 -0.254 0.000 1.051 297 Y CA 0.074 57.902 58.100 -0.453 0.000 1.121 297 Y CB 1.506 39.328 38.460 -1.062 0.000 1.299 297 Y HN 1.014 nan 8.280 nan 0.000 0.498 298 G N 0.150 109.013 108.800 0.105 0.000 2.610 298 G HA2 0.177 4.137 3.960 -0.000 0.000 0.304 298 G HA3 0.177 4.137 3.960 -0.000 0.000 0.304 298 G C -1.243 173.711 174.900 0.089 0.000 1.309 298 G CA -0.652 44.579 45.100 0.218 0.000 0.906 298 G HN 1.142 nan 8.290 nan 0.000 0.521 299 A N 0.034 122.836 122.820 -0.030 0.000 2.506 299 A HA 0.637 4.957 4.320 -0.000 0.000 0.320 299 A C 0.493 177.892 177.584 -0.307 0.000 1.424 299 A CA 0.175 51.912 52.037 -0.501 0.000 1.044 299 A CB -0.071 18.538 19.000 -0.651 0.000 1.140 299 A HN 0.607 nan 8.150 nan 0.000 0.538 300 Q N 1.642 121.277 119.800 -0.275 0.000 2.441 300 Q HA 0.378 4.718 4.340 -0.000 0.000 0.234 300 Q C -0.741 175.160 176.000 -0.165 0.000 1.078 300 Q CA -0.166 55.553 55.803 -0.141 0.000 0.907 300 Q CB 1.101 29.784 28.738 -0.091 0.000 1.269 300 Q HN 0.696 nan 8.270 nan 0.000 0.502 301 L N 2.799 123.943 121.223 -0.132 0.000 2.289 301 L HA 0.521 4.861 4.340 -0.000 0.000 0.285 301 L C -0.205 176.626 176.870 -0.065 0.000 1.049 301 L CA 0.217 54.992 54.840 -0.110 0.000 0.804 301 L CB 1.417 43.415 42.059 -0.102 0.000 1.195 301 L HN 0.594 nan 8.230 nan 0.000 0.428 302 T N -0.690 113.830 114.554 -0.057 0.000 2.907 302 T HA 0.315 4.664 4.350 -0.000 0.000 0.290 302 T C 0.457 175.136 174.700 -0.035 0.000 1.066 302 T CA -0.434 61.641 62.100 -0.041 0.000 1.012 302 T CB 1.241 70.086 68.868 -0.040 0.000 1.184 302 T HN 0.567 nan 8.240 nan 0.000 0.522 303 D N 0.101 120.484 120.400 -0.028 0.000 2.351 303 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 303 D C 1.873 178.160 176.300 -0.021 0.000 0.968 303 D CA 1.430 55.417 54.000 -0.022 0.000 0.899 303 D CB 0.026 40.815 40.800 -0.018 0.000 0.907 303 D HN 0.592 nan 8.370 nan 0.000 0.514 304 S N -1.932 113.753 115.700 -0.026 0.000 2.524 304 S HA 0.481 4.950 4.470 -0.000 0.000 0.215 304 S C 0.824 175.405 174.600 -0.032 0.000 0.986 304 S CA 0.057 58.241 58.200 -0.027 0.000 0.911 304 S CB 1.105 64.288 63.200 -0.028 0.000 0.805 304 S HN 0.274 nan 8.310 nan 0.000 0.501 305 G N -0.152 108.627 108.800 -0.035 0.000 2.324 305 G HA2 0.399 4.359 3.960 -0.000 0.000 0.293 305 G HA3 0.399 4.359 3.960 -0.000 0.000 0.293 305 G C -2.046 172.824 174.900 -0.051 0.000 1.297 305 G CA -0.066 45.011 45.100 -0.038 0.000 0.853 305 G HN 0.776 nan 8.290 nan 0.000 0.535 306 V N -0.618 119.268 119.914 -0.047 0.000 2.841 306 V HA 0.877 4.997 4.120 -0.000 0.000 0.310 306 V C -0.784 175.272 176.094 -0.064 0.000 1.090 306 V CA -0.188 62.055 62.300 -0.096 0.000 0.930 306 V CB 2.287 34.037 31.823 -0.121 0.000 1.014 306 V HN 1.169 nan 8.190 nan 0.000 0.425 307 T N 7.105 121.581 114.554 -0.130 0.000 2.847 307 T HA 0.599 4.949 4.350 -0.000 0.000 0.291 307 T C -1.011 173.660 174.700 -0.049 0.000 0.998 307 T CA 0.008 62.097 62.100 -0.018 0.000 0.967 307 T CB 0.680 69.519 68.868 -0.048 0.000 0.954 307 T HN 0.398 nan 8.240 nan 0.000 0.441 308 F N 2.511 122.530 119.950 0.115 0.000 2.404 308 F HA 0.696 5.223 4.527 -0.000 0.000 0.339 308 F C 0.786 176.687 175.800 0.169 0.000 1.105 308 F CA -0.960 57.139 58.000 0.164 0.000 1.087 308 F CB 1.188 40.342 39.000 0.257 0.000 1.143 308 F HN 0.256 nan 8.300 nan 0.000 0.491 309 R N 1.967 122.656 120.500 0.315 0.000 2.548 309 R HA 0.744 5.083 4.340 -0.000 0.000 0.280 309 R C -2.395 174.082 176.300 0.295 0.000 1.061 309 R CA -0.652 55.562 56.100 0.191 0.000 0.915 309 R CB 2.195 32.428 30.300 -0.111 0.000 1.210 309 R HN 0.615 nan 8.270 nan 0.000 0.442 310 V N 5.011 125.090 119.914 0.275 0.000 2.760 310 V HA 0.522 4.642 4.120 -0.000 0.000 0.309 310 V C -1.586 174.756 176.094 0.413 0.000 1.077 310 V CA -0.738 61.710 62.300 0.246 0.000 0.910 310 V CB 1.750 33.340 31.823 -0.389 0.000 1.008 310 V HN 0.855 nan 8.190 nan 0.000 0.424 311 W N 6.663 128.065 121.300 0.169 0.000 2.345 311 W HA 0.687 5.347 4.660 -0.000 0.000 0.308 311 W C 0.122 176.691 176.519 0.084 0.000 1.273 311 W CA -0.171 57.239 57.345 0.110 0.000 1.243 311 W CB 1.222 30.601 29.460 -0.135 0.000 1.260 311 W HN 0.824 nan 8.180 nan 0.000 0.509 312 A N 9.272 131.945 122.820 -0.244 0.000 3.399 312 A HA 0.257 4.577 4.320 -0.000 0.000 0.262 312 A C -1.635 175.748 177.584 -0.335 0.000 1.145 312 A CA -0.698 51.149 52.037 -0.317 0.000 0.916 312 A CB 0.349 19.238 19.000 -0.184 0.000 1.360 312 A HN 0.469 nan 8.150 nan 0.000 0.628 313 P HA -0.171 nan 4.420 nan 0.000 0.221 313 P C 1.153 178.190 177.300 -0.437 0.000 1.145 313 P CA 2.149 64.735 63.100 -0.856 0.000 0.795 313 P CB -0.023 30.868 31.700 -1.349 0.000 0.775 314 T N -4.596 109.782 114.554 -0.293 0.000 3.023 314 T HA 0.455 4.804 4.350 -0.000 0.000 0.253 314 T C 0.984 175.665 174.700 -0.032 0.000 1.038 314 T CA -0.104 61.926 62.100 -0.117 0.000 0.962 314 T CB -0.385 68.424 68.868 -0.098 0.000 1.018 314 T HN 0.076 nan 8.240 nan 0.000 0.521 315 A N 1.541 124.344 122.820 -0.028 0.000 2.498 315 A HA 0.314 4.634 4.320 -0.000 0.000 0.239 315 A C 1.252 178.892 177.584 0.092 0.000 1.068 315 A CA -0.294 51.720 52.037 -0.038 0.000 0.766 315 A CB 0.237 19.098 19.000 -0.231 0.000 1.003 315 A HN 0.534 nan 8.150 nan 0.000 0.497 316 Q N 0.043 119.861 119.800 0.030 0.000 2.302 316 Q HA 0.020 4.360 4.340 -0.000 0.000 0.202 316 Q C -0.121 175.961 176.000 0.137 0.000 0.936 316 Q CA 0.906 56.783 55.803 0.124 0.000 0.886 316 Q CB 0.210 28.985 28.738 0.062 0.000 0.986 316 Q HN 0.846 nan 8.270 nan 0.000 0.487 317 Q N -0.305 119.437 119.800 -0.097 0.000 2.391 317 Q HA 0.520 4.860 4.340 -0.000 0.000 0.279 317 Q C -1.719 173.935 176.000 -0.576 0.000 1.028 317 Q CA -0.508 55.156 55.803 -0.232 0.000 0.836 317 Q CB 3.126 31.829 28.738 -0.058 0.000 1.414 317 Q HN -0.118 nan 8.270 nan 0.000 0.397 318 V N 1.399 120.837 119.914 -0.793 0.000 2.612 318 V HA 0.383 4.502 4.120 -0.000 0.000 0.301 318 V C -0.932 175.021 176.094 -0.236 0.000 1.059 318 V CA -0.710 61.200 62.300 -0.651 0.000 0.886 318 V CB 2.029 33.143 31.823 -1.181 0.000 1.007 318 V HN 0.683 nan 8.190 nan 0.000 0.426 319 E N 3.249 123.400 120.200 -0.083 0.000 2.238 319 E HA 0.504 4.854 4.350 -0.000 0.000 0.267 319 E C -1.314 175.309 176.600 0.038 0.000 0.887 319 E CA -1.116 55.276 56.400 -0.014 0.000 0.769 319 E CB 3.228 32.906 29.700 -0.038 0.000 1.187 319 E HN 0.482 nan 8.360 nan 0.000 0.416 320 L N 3.374 124.578 121.223 -0.031 0.000 2.283 320 L HA 0.201 4.541 4.340 -0.000 0.000 0.287 320 L C -1.109 175.641 176.870 -0.199 0.000 1.073 320 L CA -0.394 54.393 54.840 -0.088 0.000 0.822 320 L CB 0.875 42.726 42.059 -0.347 0.000 1.186 320 L HN 0.228 nan 8.230 nan 0.000 0.436 321 V N 6.724 126.584 119.914 -0.090 0.000 2.370 321 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 321 V C 0.236 176.279 176.094 -0.085 0.000 1.029 321 V CA -0.642 61.574 62.300 -0.140 0.000 0.870 321 V CB 1.102 32.915 31.823 -0.016 0.000 0.984 321 V HN 0.498 nan 8.190 nan 0.000 0.451 322 I N 5.337 125.765 120.570 -0.235 0.000 2.331 322 I HA 0.450 4.620 4.170 -0.000 0.000 0.292 322 I C -0.426 175.584 176.117 -0.177 0.000 0.998 322 I CA -0.576 60.673 61.300 -0.084 0.000 1.267 322 I CB 0.990 38.928 38.000 -0.102 0.000 1.386 322 I HN 0.507 nan 8.210 nan 0.000 0.476 323 Y N 3.199 123.555 120.300 0.093 0.000 2.468 323 Y HA 0.365 4.915 4.550 -0.000 0.000 0.342 323 Y C 1.023 176.971 175.900 0.081 0.000 1.021 323 Y CA -0.516 57.615 58.100 0.051 0.000 1.079 323 Y CB 1.857 40.297 38.460 -0.033 0.000 1.226 323 Y HN 0.629 nan 8.280 nan 0.000 0.460 324 S N 0.674 116.486 115.700 0.187 0.000 2.641 324 S HA 0.438 4.908 4.470 -0.000 0.000 0.261 324 S C 1.312 176.036 174.600 0.207 0.000 1.257 324 S CA -0.236 58.054 58.200 0.150 0.000 0.983 324 S CB 0.992 64.240 63.200 0.081 0.000 0.990 324 S HN 0.863 nan 8.310 nan 0.000 0.572 325 A N 0.375 123.311 122.820 0.194 0.000 1.978 325 A HA -0.076 4.243 4.320 -0.000 0.000 0.220 325 A C 1.485 179.100 177.584 0.052 0.000 1.170 325 A CA 1.582 53.761 52.037 0.237 0.000 0.636 325 A CB -0.923 18.182 19.000 0.175 0.000 0.810 325 A HN 0.845 nan 8.150 nan 0.000 0.448 326 D N -0.110 120.305 120.400 0.025 0.000 2.324 326 D HA 0.050 4.690 4.640 -0.000 0.000 0.235 326 D C -0.181 176.081 176.300 -0.064 0.000 1.095 326 D CA 0.282 54.270 54.000 -0.021 0.000 0.871 326 D CB 0.128 40.933 40.800 0.008 0.000 0.906 326 D HN 0.178 nan 8.370 nan 0.000 0.522 327 K N 0.459 120.787 120.400 -0.119 0.000 3.117 327 K HA -0.142 4.177 4.320 -0.000 0.000 0.269 327 K C -0.254 176.448 176.600 0.170 0.000 1.098 327 K CA 0.570 56.746 56.287 -0.185 0.000 0.785 327 K CB -1.652 30.588 32.500 -0.433 0.000 1.242 327 K HN 0.201 nan 8.250 nan 0.000 0.491 328 K N 0.342 120.849 120.400 0.177 0.000 2.182 328 K HA 0.390 4.710 4.320 -0.000 0.000 0.262 328 K C 0.301 176.922 176.600 0.035 0.000 0.957 328 K CA -0.908 55.460 56.287 0.135 0.000 0.842 328 K CB 1.763 34.293 32.500 0.050 0.000 1.099 328 K HN -0.098 nan 8.250 nan 0.000 0.438 329 V N 5.126 124.962 119.914 -0.130 0.000 2.493 329 V HA -0.056 4.063 4.120 -0.000 0.000 0.292 329 V C 1.666 177.613 176.094 -0.245 0.000 1.016 329 V CA 0.240 62.281 62.300 -0.431 0.000 1.097 329 V CB -0.023 31.577 31.823 -0.372 0.000 0.947 329 V HN 0.601 nan 8.190 nan 0.000 0.479 330 I N 3.478 123.897 120.570 -0.251 0.000 2.731 330 I HA 0.348 4.518 4.170 -0.000 0.000 0.260 330 I C 0.952 176.953 176.117 -0.193 0.000 1.138 330 I CA 1.002 62.212 61.300 -0.149 0.000 1.461 330 I CB -0.259 37.693 38.000 -0.081 0.000 1.128 330 I HN 0.725 nan 8.210 nan 0.000 0.438 331 A N -0.400 122.238 122.820 -0.303 0.000 2.599 331 A HA 0.600 4.920 4.320 -0.000 0.000 0.294 331 A C -0.842 176.400 177.584 -0.571 0.000 1.055 331 A CA -0.347 51.431 52.037 -0.431 0.000 0.683 331 A CB 1.406 20.106 19.000 -0.501 0.000 1.278 331 A HN -0.063 nan 8.150 nan 0.000 0.412 332 S N 0.872 116.220 115.700 -0.586 0.000 2.659 332 S HA 0.593 5.063 4.470 -0.000 0.000 0.312 332 S C -1.337 172.946 174.600 -0.528 0.000 1.114 332 S CA -0.509 57.410 58.200 -0.469 0.000 1.063 332 S CB 0.181 63.226 63.200 -0.258 0.000 0.996 332 S HN 0.621 nan 8.310 nan 0.000 0.478 333 H N 5.182 124.043 119.070 -0.348 0.000 2.541 333 H HA 0.367 4.922 4.556 -0.000 0.000 0.316 333 H C -2.539 172.669 175.328 -0.200 0.000 1.043 333 H CA -1.944 53.874 56.048 -0.383 0.000 1.232 333 H CB 1.310 30.445 29.762 -1.045 0.000 1.406 333 H HN 0.453 nan 8.280 nan 0.000 0.469 334 P HA 0.049 nan 4.420 nan 0.000 0.271 334 P C 0.124 177.584 177.300 0.266 0.000 1.220 334 P CA -0.004 63.182 63.100 0.143 0.000 0.768 334 P CB 0.940 32.732 31.700 0.152 0.000 0.848 335 M N 1.607 121.401 119.600 0.323 0.000 2.267 335 M HA 0.244 4.724 4.480 -0.000 0.000 0.303 335 M C 0.689 177.299 176.300 0.517 0.000 1.164 335 M CA 0.116 55.703 55.300 0.479 0.000 1.060 335 M CB 0.509 33.406 32.600 0.493 0.000 1.455 335 M HN 0.214 nan 8.290 nan 0.000 0.483 336 T N 1.585 116.359 114.554 0.367 0.000 2.749 336 T HA 0.321 4.671 4.350 -0.000 0.000 0.287 336 T C -0.236 174.394 174.700 -0.116 0.000 0.970 336 T CA -0.601 61.573 62.100 0.124 0.000 0.980 336 T CB 0.520 69.430 68.868 0.071 0.000 0.924 336 T HN 0.481 nan 8.240 nan 0.000 0.456 337 R N 2.501 122.680 120.500 -0.534 0.000 2.340 337 R HA 0.224 4.564 4.340 -0.000 0.000 0.300 337 R C -0.673 175.331 176.300 -0.494 0.000 1.069 337 R CA -0.520 54.962 56.100 -1.029 0.000 0.984 337 R CB 0.481 29.783 30.300 -1.663 0.000 1.003 337 R HN 0.548 nan 8.270 nan 0.000 0.459 338 D N 2.086 122.257 120.400 -0.381 0.000 2.317 338 D HA 0.047 4.687 4.640 -0.000 0.000 0.234 338 D C 1.004 177.221 176.300 -0.138 0.000 1.112 338 D CA -0.226 53.669 54.000 -0.176 0.000 0.840 338 D CB 1.493 42.245 40.800 -0.081 0.000 1.078 338 D HN 0.551 nan 8.370 nan 0.000 0.486 339 S N 3.167 118.815 115.700 -0.086 0.000 2.370 339 S HA -0.249 4.221 4.470 -0.000 0.000 0.226 339 S C 2.059 176.729 174.600 0.116 0.000 1.033 339 S CA 0.865 59.062 58.200 -0.006 0.000 1.011 339 S CB -0.460 62.736 63.200 -0.007 0.000 0.852 339 S HN 0.505 nan 8.310 nan 0.000 0.457 340 A N 1.931 124.807 122.820 0.093 0.000 1.930 340 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 340 A C 2.499 180.253 177.584 0.282 0.000 1.175 340 A CA 1.953 54.074 52.037 0.140 0.000 0.627 340 A CB -0.859 18.185 19.000 0.074 0.000 0.815 340 A HN 0.840 nan 8.150 nan 0.000 0.443 341 S N -2.977 112.872 115.700 0.250 0.000 2.497 341 S HA 0.404 4.874 4.470 -0.000 0.000 0.221 341 S C 1.468 176.253 174.600 0.308 0.000 1.037 341 S CA 1.145 59.550 58.200 0.342 0.000 0.920 341 S CB -0.008 63.339 63.200 0.246 0.000 0.800 341 S HN 1.910 nan 8.310 nan 0.000 0.505 342 G N 1.235 110.031 108.800 -0.007 0.000 2.136 342 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.242 342 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.242 342 G C 0.182 174.998 174.900 -0.140 0.000 0.989 342 G CA 0.034 44.904 45.100 -0.384 0.000 0.682 342 G HN 1.234 nan 8.290 nan 0.000 0.522 343 A N -0.910 121.969 122.820 0.099 0.000 2.293 343 A HA 0.765 5.085 4.320 -0.000 0.000 0.302 343 A C -0.366 177.254 177.584 0.060 0.000 1.119 343 A CA -0.389 51.823 52.037 0.292 0.000 0.823 343 A CB 0.749 19.991 19.000 0.403 0.000 1.097 343 A HN 0.688 nan 8.150 nan 0.000 0.491 344 W N 0.600 121.944 121.300 0.072 0.000 2.632 344 W HA 0.596 5.256 4.660 -0.000 0.000 0.328 344 W C 0.278 176.847 176.519 0.084 0.000 1.044 344 W CA 0.025 57.400 57.345 0.050 0.000 1.225 344 W CB 2.020 31.485 29.460 0.009 0.000 1.396 344 W HN 0.901 nan 8.180 nan 0.000 0.499 345 S N 1.071 116.952 115.700 0.302 0.000 2.627 345 S HA 0.807 5.277 4.470 -0.000 0.000 0.283 345 S C -1.891 172.929 174.600 0.366 0.000 1.127 345 S CA -0.831 57.535 58.200 0.278 0.000 0.863 345 S CB 2.260 65.537 63.200 0.128 0.000 1.121 345 S HN 0.557 nan 8.310 nan 0.000 0.479 346 W N 1.034 122.435 121.300 0.168 0.000 3.624 346 W HA 0.469 5.129 4.660 -0.000 0.000 0.312 346 W C -1.600 175.011 176.519 0.152 0.000 1.203 346 W CA -0.154 57.258 57.345 0.111 0.000 1.225 346 W CB 1.553 31.040 29.460 0.044 0.000 1.321 346 W HN 0.951 nan 8.180 nan 0.000 0.506 347 Q N 3.879 123.297 119.800 -0.636 0.000 2.316 347 Q HA 0.726 5.065 4.340 -0.000 0.000 0.264 347 Q C -0.203 175.212 176.000 -0.975 0.000 0.987 347 Q CA -0.347 55.153 55.803 -0.505 0.000 0.852 347 Q CB 1.794 30.323 28.738 -0.347 0.000 1.287 347 Q HN 0.733 nan 8.270 nan 0.000 0.448 348 G N 1.309 109.858 108.800 -0.418 0.000 3.086 348 G HA2 0.680 4.640 3.960 -0.000 0.000 0.282 348 G HA3 0.680 4.640 3.960 -0.000 0.000 0.282 348 G C -0.811 174.064 174.900 -0.042 0.000 1.343 348 G CA -0.438 44.503 45.100 -0.266 0.000 0.895 348 G HN 0.687 nan 8.290 nan 0.000 0.557 349 G N -1.064 107.760 108.800 0.041 0.000 2.528 349 G HA2 0.423 4.383 3.960 -0.000 0.000 0.289 349 G HA3 0.423 4.383 3.960 -0.000 0.000 0.289 349 G C 1.273 176.203 174.900 0.050 0.000 1.192 349 G CA 0.826 45.944 45.100 0.030 0.000 0.921 349 G HN 1.285 nan 8.290 nan 0.000 0.512 350 S N -0.559 115.153 115.700 0.021 0.000 2.507 350 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 350 S C 1.516 176.132 174.600 0.027 0.000 0.988 350 S CA 1.387 59.595 58.200 0.013 0.000 0.944 350 S CB -0.166 63.032 63.200 -0.003 0.000 0.762 350 S HN 0.723 nan 8.310 nan 0.000 0.526 351 D N 1.825 122.251 120.400 0.043 0.000 2.350 351 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 351 D C 1.586 177.923 176.300 0.062 0.000 0.968 351 D CA 0.414 54.442 54.000 0.046 0.000 0.894 351 D CB -0.403 40.428 40.800 0.053 0.000 0.909 351 D HN 0.458 nan 8.370 nan 0.000 0.520 352 L N 0.036 121.314 121.223 0.092 0.000 2.610 352 L HA 0.018 4.358 4.340 -0.000 0.000 0.232 352 L C 1.397 178.307 176.870 0.067 0.000 1.149 352 L CA -0.114 54.801 54.840 0.124 0.000 0.872 352 L CB -0.332 41.874 42.059 0.244 0.000 0.992 352 L HN -0.080 nan 8.230 nan 0.000 0.447 353 K N 0.883 121.297 120.400 0.024 0.000 2.472 353 K HA 0.058 4.378 4.320 -0.000 0.000 0.280 353 K C 1.150 177.728 176.600 -0.037 0.000 1.028 353 K CA 0.937 57.215 56.287 -0.014 0.000 1.045 353 K CB 0.268 32.757 32.500 -0.019 0.000 0.902 353 K HN 0.216 nan 8.250 nan 0.000 0.478 354 G N 1.988 110.744 108.800 -0.073 0.000 2.205 354 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.261 354 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.261 354 G C 0.183 174.914 174.900 -0.281 0.000 0.980 354 G CA 0.173 45.175 45.100 -0.163 0.000 0.632 354 G HN 0.975 nan 8.290 nan 0.000 0.533 355 A N -0.170 122.576 122.820 -0.122 0.000 2.407 355 A HA 0.681 5.001 4.320 -0.000 0.000 0.248 355 A C 0.089 177.640 177.584 -0.055 0.000 1.082 355 A CA 0.019 52.014 52.037 -0.070 0.000 0.785 355 A CB 0.245 19.305 19.000 0.099 0.000 1.020 355 A HN 0.592 nan 8.150 nan 0.000 0.489 356 F N 0.629 120.699 119.950 0.199 0.000 2.377 356 F HA 0.566 5.093 4.527 -0.000 0.000 0.328 356 F C 0.244 176.275 175.800 0.385 0.000 1.094 356 F CA 0.397 58.519 58.000 0.203 0.000 1.093 356 F CB 1.230 40.222 39.000 -0.014 0.000 1.214 356 F HN 0.681 nan 8.300 nan 0.000 0.518 357 Y N -0.585 119.948 120.300 0.388 0.000 2.677 357 Y HA 0.799 5.349 4.550 -0.000 0.000 0.334 357 Y C -1.469 174.514 175.900 0.138 0.000 1.196 357 Y CA -1.711 56.550 58.100 0.268 0.000 1.059 357 Y CB 1.424 39.945 38.460 0.101 0.000 1.315 357 Y HN 0.558 nan 8.280 nan 0.000 0.455 358 R N 0.550 121.119 120.500 0.116 0.000 2.734 358 R HA 0.424 4.764 4.340 -0.000 0.000 0.271 358 R C -2.231 174.036 176.300 -0.055 0.000 1.021 358 R CA -1.243 54.801 56.100 -0.093 0.000 0.893 358 R CB 2.268 32.570 30.300 0.004 0.000 1.244 358 R HN 0.709 nan 8.270 nan 0.000 0.464 359 Y N 0.263 120.660 120.300 0.161 0.000 2.331 359 Y HA 0.440 4.990 4.550 -0.000 0.000 0.338 359 Y C 0.292 176.236 175.900 0.073 0.000 0.976 359 Y CA -0.846 57.322 58.100 0.114 0.000 1.137 359 Y CB 1.868 40.399 38.460 0.119 0.000 1.172 359 Y HN 0.625 nan 8.280 nan 0.000 0.478 360 A N 6.022 128.952 122.820 0.183 0.000 2.350 360 A HA 0.574 4.894 4.320 -0.000 0.000 0.293 360 A C -0.202 177.415 177.584 0.054 0.000 1.231 360 A CA -0.581 51.524 52.037 0.113 0.000 0.883 360 A CB -0.262 18.771 19.000 0.054 0.000 1.133 360 A HN 0.625 nan 8.150 nan 0.000 0.533 361 M N 1.831 121.493 119.600 0.103 0.000 2.423 361 M HA 0.422 4.902 4.480 -0.000 0.000 0.335 361 M C -0.369 175.876 176.300 -0.091 0.000 1.177 361 M CA -0.007 55.300 55.300 0.012 0.000 1.038 361 M CB 1.100 33.807 32.600 0.178 0.000 1.641 361 M HN 0.482 nan 8.290 nan 0.000 0.455 362 T N 1.921 116.387 114.554 -0.147 0.000 3.009 362 T HA 0.573 4.923 4.350 -0.000 0.000 0.346 362 T C -1.008 173.610 174.700 -0.137 0.000 1.092 362 T CA -0.539 61.470 62.100 -0.152 0.000 1.080 362 T CB 0.943 69.749 68.868 -0.103 0.000 1.037 362 T HN 0.578 nan 8.240 nan 0.000 0.487 363 V N 4.113 123.935 119.914 -0.153 0.000 2.932 363 V HA 0.582 4.702 4.120 -0.000 0.000 0.307 363 V C -1.673 174.382 176.094 -0.064 0.000 1.147 363 V CA -1.121 61.128 62.300 -0.085 0.000 0.951 363 V CB 2.020 33.811 31.823 -0.054 0.000 1.031 363 V HN 0.790 nan 8.190 nan 0.000 0.426 364 Y N 6.186 126.405 120.300 -0.134 0.000 2.465 364 Y HA 0.442 4.992 4.550 -0.000 0.000 0.331 364 Y C -0.137 175.690 175.900 -0.122 0.000 1.102 364 Y CA 0.273 58.298 58.100 -0.125 0.000 1.358 364 Y CB 0.378 38.757 38.460 -0.135 0.000 1.213 364 Y HN 0.821 nan 8.280 nan 0.000 0.525 365 H N 8.761 127.309 119.070 -0.871 0.000 2.587 365 H HA 0.300 4.856 4.556 -0.000 0.000 0.325 365 H C -2.181 172.433 175.328 -1.190 0.000 1.012 365 H CA -2.602 52.991 56.048 -0.758 0.000 1.213 365 H CB 2.154 31.709 29.762 -0.345 0.000 1.431 365 H HN 0.504 nan 8.280 nan 0.000 0.492 366 P HA -0.159 nan 4.420 nan 0.000 0.219 366 P C 1.475 178.429 177.300 -0.576 0.000 1.146 366 P CA 1.159 63.599 63.100 -1.100 0.000 0.808 366 P CB 0.360 30.834 31.700 -2.043 0.000 0.779 367 Q N 0.079 119.767 119.800 -0.187 0.000 2.119 367 Q HA -0.120 4.219 4.340 -0.000 0.000 0.201 367 Q C 1.807 177.788 176.000 -0.032 0.000 0.972 367 Q CA 2.118 57.975 55.803 0.090 0.000 0.847 367 Q CB -0.242 28.609 28.738 0.188 0.000 0.903 367 Q HN 0.274 nan 8.270 nan 0.000 0.433 368 S N -1.179 114.436 115.700 -0.141 0.000 2.503 368 S HA 0.178 4.648 4.470 -0.000 0.000 0.215 368 S C 0.447 174.988 174.600 -0.098 0.000 1.003 368 S CA 0.052 58.182 58.200 -0.117 0.000 0.910 368 S CB 0.206 63.317 63.200 -0.148 0.000 0.790 368 S HN 0.448 nan 8.310 nan 0.000 0.514 369 R N 1.013 121.401 120.500 -0.186 0.000 3.770 369 R HA -0.155 4.184 4.340 -0.000 0.000 0.305 369 R C -0.617 175.739 176.300 0.093 0.000 1.184 369 R CA 1.337 57.420 56.100 -0.029 0.000 0.823 369 R CB -2.225 28.129 30.300 0.091 0.000 1.285 369 R HN 0.832 nan 8.270 nan 0.000 0.499 370 K N -1.602 118.753 120.400 -0.075 0.000 2.482 370 K HA 0.516 4.836 4.320 -0.000 0.000 0.257 370 K C -0.273 176.321 176.600 -0.009 0.000 0.969 370 K CA -1.063 55.240 56.287 0.026 0.000 0.842 370 K CB 1.989 34.478 32.500 -0.019 0.000 1.359 370 K HN -0.098 nan 8.250 nan 0.000 0.441 371 V N 3.230 123.166 119.914 0.037 0.000 2.364 371 V HA 0.038 4.158 4.120 -0.000 0.000 0.252 371 V C 0.127 176.143 176.094 -0.131 0.000 1.075 371 V CA -0.141 62.146 62.300 -0.021 0.000 1.033 371 V CB -0.231 31.577 31.823 -0.025 0.000 1.116 371 V HN 0.648 nan 8.190 nan 0.000 0.488 372 E N 4.148 124.206 120.200 -0.236 0.000 2.390 372 E HA 0.300 4.650 4.350 -0.000 0.000 0.261 372 E C -0.307 175.964 176.600 -0.547 0.000 1.076 372 E CA -0.129 56.008 56.400 -0.437 0.000 0.905 372 E CB 1.135 30.422 29.700 -0.688 0.000 0.984 372 E HN 0.613 nan 8.360 nan 0.000 0.427 373 Q N 1.576 121.057 119.800 -0.531 0.000 2.303 373 Q HA 0.377 4.717 4.340 -0.000 0.000 0.267 373 Q C -1.335 174.525 176.000 -0.233 0.000 1.011 373 Q CA -0.464 55.131 55.803 -0.346 0.000 0.740 373 Q CB 1.307 29.954 28.738 -0.152 0.000 1.250 373 Q HN 0.546 nan 8.270 nan 0.000 0.458 374 Y N -1.047 119.253 120.300 -0.001 0.000 2.641 374 Y HA 0.516 5.066 4.550 -0.000 0.000 0.333 374 Y C -0.875 175.036 175.900 0.019 0.000 1.174 374 Y CA -1.473 56.630 58.100 0.006 0.000 1.057 374 Y CB 1.419 39.882 38.460 0.005 0.000 1.322 374 Y HN 0.229 nan 8.280 nan 0.000 0.457 375 E N 1.786 122.124 120.200 0.231 0.000 2.216 375 E HA 0.597 4.947 4.350 -0.000 0.000 0.279 375 E C -1.274 175.353 176.600 0.045 0.000 0.997 375 E CA -0.976 55.506 56.400 0.137 0.000 0.817 375 E CB 2.567 32.325 29.700 0.097 0.000 1.096 375 E HN 0.445 nan 8.360 nan 0.000 0.393 376 V N 1.865 121.819 119.914 0.066 0.000 2.789 376 V HA 0.265 4.384 4.120 -0.000 0.000 0.311 376 V C 0.302 176.419 176.094 0.039 0.000 1.073 376 V CA -1.094 61.219 62.300 0.022 0.000 0.921 376 V CB 1.957 33.803 31.823 0.038 0.000 1.009 376 V HN 0.875 nan 8.190 nan 0.000 0.426 377 T N -0.571 113.984 114.554 0.001 0.000 2.766 377 T HA 0.187 4.537 4.350 -0.000 0.000 0.295 377 T C -0.125 174.646 174.700 0.118 0.000 1.024 377 T CA -0.418 61.651 62.100 -0.051 0.000 1.018 377 T CB 0.684 69.532 68.868 -0.033 0.000 1.002 377 T HN 0.682 nan 8.240 nan 0.000 0.532 378 D N 1.893 122.327 120.400 0.057 0.000 2.348 378 D HA 0.180 4.820 4.640 -0.000 0.000 0.253 378 D C -1.093 175.418 176.300 0.353 0.000 1.161 378 D CA -2.306 51.909 54.000 0.358 0.000 0.876 378 D CB 1.402 42.435 40.800 0.389 0.000 1.160 378 D HN 0.259 nan 8.370 nan 0.000 0.459 379 P HA -0.123 nan 4.420 nan 0.000 0.226 379 P C 0.589 178.074 177.300 0.308 0.000 1.153 379 P CA 0.810 64.103 63.100 0.322 0.000 0.777 379 P CB 0.072 31.930 31.700 0.263 0.000 0.794 380 Y N 0.011 120.435 120.300 0.208 0.000 2.625 380 Y HA 0.406 4.955 4.550 -0.000 0.000 0.285 380 Y C 1.305 177.100 175.900 -0.176 0.000 1.168 380 Y CA -0.788 57.358 58.100 0.076 0.000 1.250 380 Y CB -0.213 38.325 38.460 0.130 0.000 1.130 380 Y HN -0.090 nan 8.280 nan 0.000 0.526 381 A N -0.377 122.486 122.820 0.071 0.000 2.531 381 A HA -0.008 4.312 4.320 -0.000 0.000 0.236 381 A C 0.128 177.654 177.584 -0.097 0.000 1.062 381 A CA 0.476 52.485 52.037 -0.047 0.000 0.760 381 A CB 0.064 18.974 19.000 -0.149 0.000 0.995 381 A HN 0.743 nan 8.150 nan 0.000 0.501 382 H N -0.102 119.003 119.070 0.058 0.000 3.058 382 H HA 0.371 4.927 4.556 -0.000 0.000 0.266 382 H C 0.008 175.324 175.328 -0.020 0.000 1.135 382 H CA 0.554 56.603 56.048 0.003 0.000 1.174 382 H CB 0.807 30.576 29.762 0.013 0.000 1.581 382 H HN 0.580 nan 8.280 nan 0.000 0.553 383 S N 0.706 116.448 115.700 0.071 0.000 2.537 383 S HA 0.598 5.067 4.470 -0.000 0.000 0.271 383 S C -1.851 172.735 174.600 -0.024 0.000 1.148 383 S CA -0.633 57.584 58.200 0.028 0.000 0.868 383 S CB 1.123 64.348 63.200 0.041 0.000 1.115 383 S HN 0.176 nan 8.310 nan 0.000 0.461 384 L N 2.186 123.400 121.223 -0.015 0.000 2.409 384 L HA 0.643 4.982 4.340 -0.000 0.000 0.255 384 L C 0.165 177.089 176.870 0.090 0.000 1.027 384 L CA -0.929 53.884 54.840 -0.044 0.000 0.834 384 L CB 2.374 44.291 42.059 -0.236 0.000 1.426 384 L HN 0.771 nan 8.230 nan 0.000 0.411 385 S N -1.467 114.261 115.700 0.046 0.000 2.686 385 S HA 0.391 4.861 4.470 -0.000 0.000 0.270 385 S C -0.038 174.464 174.600 -0.162 0.000 1.194 385 S CA -0.631 57.522 58.200 -0.077 0.000 0.990 385 S CB 1.027 63.970 63.200 -0.429 0.000 1.029 385 S HN 0.536 nan 8.310 nan 0.000 0.560 386 T N 2.655 117.060 114.554 -0.248 0.000 2.908 386 T HA 0.148 4.498 4.350 -0.000 0.000 0.301 386 T C 0.823 175.197 174.700 -0.544 0.000 1.019 386 T CA 0.829 62.654 62.100 -0.459 0.000 1.152 386 T CB -0.842 67.588 68.868 -0.730 0.000 0.966 386 T HN 0.814 nan 8.240 nan 0.000 0.540 387 N N 1.368 119.801 118.700 -0.445 0.000 2.782 387 N HA -0.289 4.451 4.740 -0.000 0.000 0.251 387 N C 0.057 175.509 175.510 -0.097 0.000 1.101 387 N CA 0.495 53.405 53.050 -0.233 0.000 0.764 387 N CB -0.875 37.488 38.487 -0.207 0.000 1.122 387 N HN 0.822 nan 8.380 nan 0.000 0.561 388 S N -1.932 113.638 115.700 -0.217 0.000 3.476 388 S HA -0.222 4.248 4.470 -0.000 0.000 0.309 388 S C 0.808 175.224 174.600 -0.306 0.000 1.222 388 S CA 1.377 59.353 58.200 -0.374 0.000 0.922 388 S CB -1.273 61.467 63.200 -0.768 0.000 1.023 388 S HN 0.666 nan 8.310 nan 0.000 0.591 389 E N -0.726 119.369 120.200 -0.175 0.000 2.150 389 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 389 E C -0.036 176.217 176.600 -0.579 0.000 0.985 389 E CA 1.020 57.255 56.400 -0.275 0.000 0.814 389 E CB 0.120 29.726 29.700 -0.158 0.000 0.752 389 E HN 0.758 nan 8.360 nan 0.000 0.466 390 Y N -0.324 119.795 120.300 -0.302 0.000 2.524 390 Y HA 0.230 4.779 4.550 -0.000 0.000 0.347 390 Y C 0.099 175.837 175.900 -0.270 0.000 1.005 390 Y CA -1.234 56.682 58.100 -0.307 0.000 1.025 390 Y CB 1.761 40.016 38.460 -0.342 0.000 1.275 390 Y HN -0.193 nan 8.280 nan 0.000 0.460 391 S N 1.263 116.799 115.700 -0.273 0.000 2.669 391 S HA 0.562 5.031 4.470 -0.000 0.000 0.270 391 S C -0.820 173.695 174.600 -0.141 0.000 1.225 391 S CA -0.967 56.985 58.200 -0.412 0.000 0.991 391 S CB 1.865 64.563 63.200 -0.836 0.000 0.987 391 S HN 0.673 nan 8.310 nan 0.000 0.552 392 Q N 0.256 120.080 119.800 0.040 0.000 2.331 392 Q HA 0.479 4.819 4.340 -0.000 0.000 0.272 392 Q C -1.765 174.394 176.000 0.265 0.000 1.062 392 Q CA -0.788 55.101 55.803 0.143 0.000 0.806 392 Q CB 1.894 30.589 28.738 -0.072 0.000 1.312 392 Q HN 0.617 nan 8.270 nan 0.000 0.431 393 V N 3.495 123.548 119.914 0.232 0.000 2.521 393 V HA 0.324 4.444 4.120 -0.000 0.000 0.286 393 V C -0.085 176.014 176.094 0.009 0.000 1.034 393 V CA -0.034 62.319 62.300 0.087 0.000 1.045 393 V CB 0.863 32.684 31.823 -0.004 0.000 0.974 393 V HN 0.552 nan 8.190 nan 0.000 0.480 394 V N 4.054 123.978 119.914 0.016 0.000 3.087 394 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 394 V C -1.589 174.503 176.094 -0.004 0.000 1.187 394 V CA -0.623 61.677 62.300 -0.000 0.000 0.999 394 V CB 2.610 34.443 31.823 0.016 0.000 1.049 394 V HN 0.924 nan 8.190 nan 0.000 0.431 395 D N 4.359 124.740 120.400 -0.031 0.000 2.464 395 D HA 0.342 4.982 4.640 -0.000 0.000 0.243 395 D C 1.007 177.265 176.300 -0.069 0.000 1.104 395 D CA -0.267 53.708 54.000 -0.041 0.000 0.883 395 D CB 1.277 42.051 40.800 -0.042 0.000 1.050 395 D HN 0.516 nan 8.370 nan 0.000 0.524 396 L N 2.861 124.025 121.223 -0.098 0.000 2.349 396 L HA -0.144 4.195 4.340 -0.000 0.000 0.220 396 L C 1.305 178.080 176.870 -0.159 0.000 1.130 396 L CA 0.785 55.520 54.840 -0.174 0.000 0.791 396 L CB -0.332 41.564 42.059 -0.272 0.000 0.918 396 L HN 0.312 nan 8.230 nan 0.000 0.444 397 N N -1.036 117.606 118.700 -0.096 0.000 2.457 397 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 397 N C 0.567 176.046 175.510 -0.051 0.000 1.050 397 N CA 0.127 53.142 53.050 -0.059 0.000 0.906 397 N CB -0.052 38.416 38.487 -0.032 0.000 0.968 397 N HN 0.205 nan 8.380 nan 0.000 0.445 398 D N 0.483 120.845 120.400 -0.063 0.000 2.533 398 D HA -0.064 4.575 4.640 -0.000 0.000 0.236 398 D C 0.973 177.241 176.300 -0.055 0.000 1.137 398 D CA 0.194 54.163 54.000 -0.052 0.000 0.867 398 D CB 0.727 41.494 40.800 -0.055 0.000 1.170 398 D HN 0.261 nan 8.370 nan 0.000 0.474 399 S N 3.074 118.756 115.700 -0.030 0.000 2.419 399 S HA -0.147 4.322 4.470 -0.000 0.000 0.233 399 S C 1.861 176.441 174.600 -0.033 0.000 1.016 399 S CA 0.777 58.965 58.200 -0.019 0.000 0.974 399 S CB -0.057 63.144 63.200 0.000 0.000 0.786 399 S HN 0.518 nan 8.310 nan 0.000 0.492 400 A N 1.169 123.967 122.820 -0.037 0.000 2.172 400 A HA 0.337 4.657 4.320 -0.000 0.000 0.216 400 A C 1.828 179.378 177.584 -0.056 0.000 1.154 400 A CA 0.663 52.678 52.037 -0.036 0.000 0.701 400 A CB -0.527 18.456 19.000 -0.028 0.000 0.789 400 A HN 0.592 nan 8.150 nan 0.000 0.465 401 L N -1.091 120.078 121.223 -0.090 0.000 2.818 401 L HA 0.233 4.572 4.340 -0.000 0.000 0.243 401 L C -0.261 176.476 176.870 -0.222 0.000 1.185 401 L CA 0.030 54.792 54.840 -0.131 0.000 0.988 401 L CB 0.059 42.033 42.059 -0.142 0.000 1.292 401 L HN 0.133 nan 8.230 nan 0.000 0.519 402 K N 1.344 121.634 120.400 -0.183 0.000 2.378 402 K HA 0.458 4.778 4.320 -0.000 0.000 0.252 402 K C -2.528 174.024 176.600 -0.080 0.000 0.931 402 K CA -1.769 54.371 56.287 -0.245 0.000 0.794 402 K CB 2.345 34.752 32.500 -0.155 0.000 1.181 402 K HN -0.245 nan 8.250 nan 0.000 0.425 403 P HA 0.011 nan 4.420 nan 0.000 0.274 403 P C -0.626 176.749 177.300 0.126 0.000 1.237 403 P CA -0.329 62.808 63.100 0.062 0.000 0.793 403 P CB 0.641 32.407 31.700 0.109 0.000 0.977 404 E N 0.756 121.011 120.200 0.092 0.000 2.480 404 E HA 0.231 4.581 4.350 -0.000 0.000 0.258 404 E C 1.264 177.931 176.600 0.111 0.000 0.984 404 E CA 1.447 57.898 56.400 0.086 0.000 0.930 404 E CB -1.019 28.713 29.700 0.055 0.000 0.936 404 E HN 0.767 nan 8.360 nan 0.000 0.466 405 G N 5.027 113.892 108.800 0.107 0.000 2.148 405 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.254 405 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.254 405 G C 0.795 175.762 174.900 0.112 0.000 0.981 405 G CA 0.320 45.471 45.100 0.085 0.000 0.670 405 G HN 0.691 nan 8.290 nan 0.000 0.528 406 W N 1.039 122.338 121.300 -0.002 0.000 2.318 406 W HA -0.148 4.512 4.660 -0.000 0.000 0.313 406 W C 1.479 177.997 176.519 -0.001 0.000 1.221 406 W CA 2.149 59.494 57.345 0.000 0.000 1.266 406 W CB -0.207 29.251 29.460 -0.002 0.000 1.150 406 W HN 0.341 nan 8.180 nan 0.000 0.496 407 D N -0.169 120.244 120.400 0.021 0.000 2.221 407 D HA -0.109 4.530 4.640 -0.000 0.000 0.204 407 D C 2.072 178.275 176.300 -0.162 0.000 0.982 407 D CA 1.770 55.716 54.000 -0.090 0.000 0.857 407 D CB -0.878 39.945 40.800 0.038 0.000 0.934 407 D HN 0.296 nan 8.370 nan 0.000 0.475 408 G N 0.086 108.809 108.800 -0.128 0.000 3.284 408 G HA2 0.107 4.066 3.960 -0.000 0.000 0.236 408 G HA3 0.107 4.066 3.960 -0.000 0.000 0.236 408 G C 0.415 175.219 174.900 -0.160 0.000 1.158 408 G CA -0.388 44.642 45.100 -0.117 0.000 0.774 408 G HN 0.121 nan 8.290 nan 0.000 0.545 409 L N 3.336 124.396 121.223 -0.271 0.000 2.534 409 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 409 L C 0.794 177.528 176.870 -0.227 0.000 1.178 409 L CA -0.028 54.642 54.840 -0.282 0.000 0.907 409 L CB 0.234 41.997 42.059 -0.493 0.000 1.164 409 L HN 0.112 nan 8.230 nan 0.000 0.482 410 T N 3.057 117.520 114.554 -0.153 0.000 2.943 410 T HA 0.550 4.899 4.350 -0.000 0.000 0.284 410 T C 0.120 174.757 174.700 -0.105 0.000 1.015 410 T CA -1.029 61.001 62.100 -0.117 0.000 1.042 410 T CB 1.202 70.016 68.868 -0.090 0.000 1.055 410 T HN 0.708 nan 8.240 nan 0.000 0.500 411 M N 1.567 121.120 119.600 -0.079 0.000 2.143 411 M HA 0.338 4.818 4.480 -0.000 0.000 0.348 411 M C -1.788 174.462 176.300 -0.083 0.000 1.375 411 M CA -1.904 53.358 55.300 -0.063 0.000 1.124 411 M CB 0.979 33.566 32.600 -0.021 0.000 1.669 411 M HN 0.351 nan 8.290 nan 0.000 0.469 412 P HA -0.089 nan 4.420 nan 0.000 0.220 412 P C -0.465 176.589 177.300 -0.411 0.000 1.148 412 P CA 1.488 64.446 63.100 -0.237 0.000 0.803 412 P CB -0.019 31.544 31.700 -0.229 0.000 0.782 413 H N -0.657 118.371 119.070 -0.070 0.000 2.529 413 H HA 0.586 5.142 4.556 -0.000 0.000 0.348 413 H C -0.143 175.187 175.328 0.003 0.000 1.079 413 H CA -0.723 55.307 56.048 -0.028 0.000 1.198 413 H CB 1.493 31.246 29.762 -0.015 0.000 1.521 413 H HN 0.025 nan 8.280 nan 0.000 0.514 414 A N 2.172 125.059 122.820 0.112 0.000 2.407 414 A HA 0.200 4.520 4.320 -0.000 0.000 0.248 414 A C 0.237 177.886 177.584 0.107 0.000 1.082 414 A CA -0.267 51.819 52.037 0.082 0.000 0.785 414 A CB 0.346 19.376 19.000 0.049 0.000 1.020 414 A HN 0.952 nan 8.150 nan 0.000 0.489 415 Q N 0.496 120.354 119.800 0.097 0.000 2.055 415 Q HA 0.117 4.457 4.340 -0.000 0.000 0.226 415 Q C 0.992 177.049 176.000 0.095 0.000 0.805 415 Q CA -0.151 55.711 55.803 0.098 0.000 1.072 415 Q CB 0.654 29.485 28.738 0.156 0.000 1.219 415 Q HN 0.880 nan 8.270 nan 0.000 0.451 416 K N 1.003 121.446 120.400 0.071 0.000 2.005 416 K HA -0.006 4.314 4.320 -0.000 0.000 0.206 416 K C 1.059 177.695 176.600 0.060 0.000 1.044 416 K CA 1.522 57.847 56.287 0.063 0.000 0.942 416 K CB 0.248 32.773 32.500 0.041 0.000 0.727 416 K HN 0.228 nan 8.250 nan 0.000 0.439 417 T N -1.484 113.096 114.554 0.043 0.000 2.881 417 T HA 0.225 4.574 4.350 -0.000 0.000 0.278 417 T C 0.781 175.501 174.700 0.032 0.000 0.982 417 T CA -0.692 61.431 62.100 0.038 0.000 0.989 417 T CB 1.453 70.336 68.868 0.025 0.000 1.058 417 T HN 0.079 nan 8.240 nan 0.000 0.529 418 K N 0.335 120.754 120.400 0.032 0.000 2.097 418 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 418 K C 2.554 179.150 176.600 -0.007 0.000 1.049 418 K CA 1.159 57.457 56.287 0.017 0.000 0.933 418 K CB -0.543 31.974 32.500 0.028 0.000 0.717 418 K HN 0.713 nan 8.250 nan 0.000 0.442 419 A N 1.916 124.737 122.820 0.002 0.000 1.933 419 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 419 A C 1.560 179.141 177.584 -0.005 0.000 1.175 419 A CA 1.753 53.789 52.037 -0.002 0.000 0.628 419 A CB -0.296 18.707 19.000 0.006 0.000 0.814 419 A HN 0.172 nan 8.150 nan 0.000 0.444 420 D N 0.199 120.600 120.400 0.002 0.000 2.097 420 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 420 D C 1.981 178.265 176.300 -0.027 0.000 0.984 420 D CA 1.056 55.062 54.000 0.010 0.000 0.826 420 D CB -0.393 40.424 40.800 0.029 0.000 0.973 420 D HN 0.445 nan 8.370 nan 0.000 0.460 421 L N 0.835 122.017 121.223 -0.069 0.000 2.046 421 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 421 L C 2.511 179.245 176.870 -0.227 0.000 1.077 421 L CA 1.083 55.807 54.840 -0.193 0.000 0.747 421 L CB -0.462 41.452 42.059 -0.240 0.000 0.896 421 L HN -0.026 nan 8.230 nan 0.000 0.432 422 A N 0.004 122.740 122.820 -0.140 0.000 2.076 422 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 422 A C 2.190 179.708 177.584 -0.110 0.000 1.160 422 A CA 1.497 53.462 52.037 -0.121 0.000 0.653 422 A CB -0.357 18.606 19.000 -0.062 0.000 0.801 422 A HN 0.358 nan 8.150 nan 0.000 0.455 423 K N -1.005 119.342 120.400 -0.088 0.000 2.486 423 K HA 0.111 4.430 4.320 -0.000 0.000 0.194 423 K C 0.706 177.231 176.600 -0.125 0.000 1.033 423 K CA -0.073 56.173 56.287 -0.068 0.000 1.004 423 K CB -0.189 32.305 32.500 -0.010 0.000 0.798 423 K HN 0.591 nan 8.250 nan 0.000 0.495 424 M N 2.023 121.494 119.600 -0.216 0.000 2.327 424 M HA -0.057 4.423 4.480 -0.000 0.000 0.353 424 M C -0.975 175.164 176.300 -0.267 0.000 1.539 424 M CA 1.154 56.232 55.300 -0.369 0.000 1.039 424 M CB 0.326 32.560 32.600 -0.611 0.000 1.967 424 M HN -0.106 nan 8.290 nan 0.000 0.459 425 T N 7.298 121.735 114.554 -0.195 0.000 2.963 425 T HA 0.489 4.839 4.350 -0.000 0.000 0.328 425 T C -0.334 174.343 174.700 -0.038 0.000 1.048 425 T CA -0.502 61.539 62.100 -0.097 0.000 1.033 425 T CB 0.238 69.058 68.868 -0.080 0.000 1.010 425 T HN 0.558 nan 8.240 nan 0.000 0.469 426 I N 2.448 122.997 120.570 -0.035 0.000 2.396 426 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 426 I C 0.149 176.241 176.117 -0.041 0.000 0.999 426 I CA -0.719 60.572 61.300 -0.015 0.000 1.310 426 I CB 0.830 38.820 38.000 -0.017 0.000 1.404 426 I HN 0.576 nan 8.210 nan 0.000 0.496 427 H N 5.047 124.056 119.070 -0.102 0.000 2.725 427 H HA 0.209 4.764 4.556 -0.000 0.000 0.283 427 H C -0.529 174.722 175.328 -0.128 0.000 1.110 427 H CA -0.455 55.536 56.048 -0.095 0.000 1.289 427 H CB 0.702 30.461 29.762 -0.004 0.000 1.400 427 H HN 0.500 nan 8.280 nan 0.000 0.493 428 E N 3.820 123.784 120.200 -0.392 0.000 2.159 428 E HA 0.163 4.512 4.350 -0.000 0.000 0.272 428 E C -0.599 175.913 176.600 -0.148 0.000 1.138 428 E CA 0.048 56.303 56.400 -0.242 0.000 0.915 428 E CB 0.349 29.885 29.700 -0.274 0.000 1.028 428 E HN 0.594 nan 8.360 nan 0.000 0.423 429 S N 3.105 118.777 115.700 -0.045 0.000 2.677 429 S HA 0.431 4.900 4.470 -0.000 0.000 0.304 429 S C -1.006 173.617 174.600 0.038 0.000 1.108 429 S CA -0.773 57.434 58.200 0.011 0.000 0.944 429 S CB 1.477 64.711 63.200 0.055 0.000 1.127 429 S HN 0.623 nan 8.310 nan 0.000 0.511 430 H N 0.043 119.089 119.070 -0.041 0.000 2.717 430 H HA 0.474 5.030 4.556 -0.000 0.000 0.366 430 H C 0.695 175.941 175.328 -0.135 0.000 1.132 430 H CA -0.804 55.192 56.048 -0.087 0.000 1.180 430 H CB 0.404 30.175 29.762 0.014 0.000 1.678 430 H HN 0.402 nan 8.280 nan 0.000 0.537 431 I N 3.039 123.189 120.570 -0.699 0.000 2.208 431 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 431 I C 2.158 178.106 176.117 -0.281 0.000 1.097 431 I CA 1.368 62.279 61.300 -0.649 0.000 1.363 431 I CB -0.671 36.486 38.000 -1.404 0.000 1.051 431 I HN 0.723 nan 8.210 nan 0.000 0.413 432 R N 0.275 120.758 120.500 -0.028 0.000 2.093 432 R HA -0.097 4.243 4.340 -0.000 0.000 0.224 432 R C 1.858 178.394 176.300 0.393 0.000 1.101 432 R CA 0.938 57.196 56.100 0.264 0.000 0.979 432 R CB -0.165 30.379 30.300 0.407 0.000 0.877 432 R HN 0.320 nan 8.270 nan 0.000 0.441 433 D N 1.088 121.804 120.400 0.527 0.000 2.149 433 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 433 D C 1.920 178.414 176.300 0.324 0.000 0.990 433 D CA 1.064 55.298 54.000 0.391 0.000 0.839 433 D CB -0.122 40.875 40.800 0.328 0.000 0.948 433 D HN 0.163 nan 8.370 nan 0.000 0.460 434 L N 0.293 121.671 121.223 0.259 0.000 2.005 434 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 434 L C 2.166 179.172 176.870 0.227 0.000 1.072 434 L CA 1.619 56.600 54.840 0.234 0.000 0.744 434 L CB -0.212 41.892 42.059 0.076 0.000 0.895 434 L HN 0.087 nan 8.230 nan 0.000 0.433 435 S N -1.951 113.841 115.700 0.154 0.000 2.603 435 S HA 0.259 4.729 4.470 -0.000 0.000 0.232 435 S C 1.753 176.437 174.600 0.139 0.000 1.016 435 S CA 0.153 58.428 58.200 0.127 0.000 0.976 435 S CB 0.516 63.739 63.200 0.038 0.000 0.921 435 S HN 0.191 nan 8.310 nan 0.000 0.516 436 A N 1.012 123.938 122.820 0.178 0.000 1.986 436 A HA -0.005 4.315 4.320 -0.000 0.000 0.220 436 A C 1.504 179.060 177.584 -0.047 0.000 1.171 436 A CA 1.242 53.323 52.037 0.074 0.000 0.640 436 A CB -0.925 18.149 19.000 0.123 0.000 0.811 436 A HN 0.783 nan 8.150 nan 0.000 0.451 437 W N -0.798 120.531 121.300 0.048 0.000 3.127 437 W HA 0.276 4.935 4.660 -0.000 0.000 0.344 437 W C -0.049 176.483 176.519 0.022 0.000 1.151 437 W CA -0.474 56.879 57.345 0.013 0.000 1.765 437 W CB 0.429 29.868 29.460 -0.035 0.000 1.085 437 W HN 0.108 nan 8.180 nan 0.000 0.596 438 D N 0.978 121.516 120.400 0.230 0.000 2.374 438 D HA 0.001 4.641 4.640 -0.000 0.000 0.240 438 D C 1.400 177.753 176.300 0.088 0.000 1.229 438 D CA 0.398 54.494 54.000 0.160 0.000 0.895 438 D CB 0.959 41.843 40.800 0.139 0.000 1.046 438 D HN 0.002 nan 8.370 nan 0.000 0.498 439 Q N 1.580 121.427 119.800 0.078 0.000 2.364 439 Q HA -0.079 4.261 4.340 -0.000 0.000 0.207 439 Q C 1.602 177.621 176.000 0.031 0.000 0.970 439 Q CA 0.929 56.758 55.803 0.044 0.000 0.888 439 Q CB -0.132 28.631 28.738 0.042 0.000 0.951 439 Q HN 0.609 nan 8.270 nan 0.000 0.469 440 T N -3.411 111.164 114.554 0.035 0.000 3.129 440 T HA 0.159 4.508 4.350 -0.000 0.000 0.251 440 T C 0.797 175.505 174.700 0.013 0.000 1.117 440 T CA -0.170 61.942 62.100 0.021 0.000 1.034 440 T CB 0.132 69.012 68.868 0.020 0.000 0.968 440 T HN -0.153 nan 8.240 nan 0.000 0.526 441 V N 3.524 123.448 119.914 0.017 0.000 2.465 441 V HA 0.352 4.472 4.120 -0.000 0.000 0.279 441 V C -2.254 173.843 176.094 0.006 0.000 1.045 441 V CA -2.345 59.959 62.300 0.008 0.000 0.938 441 V CB 1.325 33.153 31.823 0.010 0.000 0.986 441 V HN 0.205 nan 8.190 nan 0.000 0.467 442 P HA -0.013 nan 4.420 nan 0.000 0.261 442 P C 0.646 177.947 177.300 0.000 0.000 1.173 442 P CA 0.437 63.538 63.100 0.003 0.000 0.760 442 P CB 0.616 32.318 31.700 0.004 0.000 0.783 443 A N 5.149 127.967 122.820 -0.002 0.000 1.927 443 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 443 A C 1.813 179.392 177.584 -0.008 0.000 1.185 443 A CA 1.948 53.980 52.037 -0.008 0.000 0.639 443 A CB -0.962 18.031 19.000 -0.010 0.000 0.820 443 A HN 0.677 nan 8.150 nan 0.000 0.451 444 E N 0.337 120.535 120.200 -0.003 0.000 2.418 444 E HA -0.074 4.276 4.350 -0.000 0.000 0.197 444 E C 1.354 177.955 176.600 0.001 0.000 1.026 444 E CA 0.907 57.306 56.400 -0.000 0.000 0.862 444 E CB -0.379 29.324 29.700 0.004 0.000 0.799 444 E HN 0.678 nan 8.360 nan 0.000 0.518 445 L N 0.307 121.530 121.223 0.001 0.000 2.693 445 L HA 0.269 4.608 4.340 -0.000 0.000 0.235 445 L C 0.879 177.746 176.870 -0.006 0.000 1.127 445 L CA -0.394 54.447 54.840 0.001 0.000 0.914 445 L CB 0.149 42.211 42.059 0.005 0.000 1.193 445 L HN -0.168 nan 8.230 nan 0.000 0.502 446 R N 0.955 121.451 120.500 -0.006 0.000 2.449 446 R HA 0.262 4.602 4.340 -0.000 0.000 0.296 446 R C 1.139 177.436 176.300 -0.005 0.000 1.047 446 R CA 0.747 56.845 56.100 -0.005 0.000 1.018 446 R CB 0.274 30.566 30.300 -0.013 0.000 0.962 446 R HN 0.273 nan 8.270 nan 0.000 0.428 447 G N 1.956 110.755 108.800 -0.002 0.000 2.143 447 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 447 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 447 G C -0.166 174.700 174.900 -0.055 0.000 0.991 447 G CA 0.105 45.204 45.100 -0.002 0.000 0.689 447 G HN 0.426 nan 8.290 nan 0.000 0.522 448 K N -1.207 119.141 120.400 -0.087 0.000 2.281 448 K HA 0.579 4.899 4.320 -0.000 0.000 0.242 448 K C 0.843 177.363 176.600 -0.133 0.000 0.971 448 K CA -1.101 55.108 56.287 -0.129 0.000 0.834 448 K CB 0.791 33.267 32.500 -0.039 0.000 1.181 448 K HN -0.039 nan 8.250 nan 0.000 0.435 449 Y N 0.589 120.866 120.300 -0.039 0.000 2.165 449 Y HA -0.144 4.406 4.550 -0.000 0.000 0.286 449 Y C 2.040 177.894 175.900 -0.077 0.000 1.155 449 Y CA 1.226 59.268 58.100 -0.097 0.000 1.164 449 Y CB -0.692 37.736 38.460 -0.053 0.000 0.978 449 Y HN 0.359 nan 8.280 nan 0.000 0.513 450 L N -0.590 120.713 121.223 0.133 0.000 2.450 450 L HA -0.166 4.174 4.340 -0.000 0.000 0.224 450 L C 2.485 179.369 176.870 0.024 0.000 1.149 450 L CA 0.627 55.508 54.840 0.068 0.000 0.816 450 L CB -0.770 41.329 42.059 0.067 0.000 0.932 450 L HN 0.241 nan 8.230 nan 0.000 0.449 451 A N 0.079 122.902 122.820 0.005 0.000 2.024 451 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 451 A C 2.060 179.630 177.584 -0.024 0.000 1.164 451 A CA 1.087 53.116 52.037 -0.013 0.000 0.643 451 A CB -0.375 18.610 19.000 -0.025 0.000 0.806 451 A HN 0.299 nan 8.150 nan 0.000 0.451 452 L N 0.533 121.741 121.223 -0.025 0.000 2.456 452 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 452 L C 2.419 179.274 176.870 -0.025 0.000 1.148 452 L CA 2.167 56.985 54.840 -0.036 0.000 0.825 452 L CB -1.655 40.379 42.059 -0.041 0.000 0.937 452 L HN 0.714 nan 8.230 nan 0.000 0.450 453 T N -4.144 110.404 114.554 -0.010 0.000 3.060 453 T HA 0.227 4.577 4.350 -0.000 0.000 0.249 453 T C 1.041 175.737 174.700 -0.007 0.000 1.079 453 T CA 0.279 62.377 62.100 -0.004 0.000 1.013 453 T CB 0.058 68.931 68.868 0.010 0.000 0.975 453 T HN 0.178 nan 8.240 nan 0.000 0.518 454 A N 1.922 124.734 122.820 -0.013 0.000 2.990 454 A HA 0.303 4.623 4.320 -0.000 0.000 0.282 454 A C 1.482 179.054 177.584 -0.021 0.000 1.688 454 A CA -0.548 51.481 52.037 -0.014 0.000 1.391 454 A CB -0.477 18.515 19.000 -0.014 0.000 1.112 454 A HN 0.571 nan 8.150 nan 0.000 0.588 455 Q N 0.305 120.095 119.800 -0.017 0.000 2.308 455 Q HA -0.179 4.161 4.340 -0.000 0.000 0.209 455 Q C 0.793 176.781 176.000 -0.019 0.000 0.985 455 Q CA 1.336 57.127 55.803 -0.020 0.000 0.881 455 Q CB 0.116 28.845 28.738 -0.015 0.000 0.917 455 Q HN 0.711 nan 8.270 nan 0.000 0.443 456 E N 0.388 120.580 120.200 -0.014 0.000 2.479 456 E HA 0.016 4.365 4.350 -0.000 0.000 0.193 456 E C 0.595 177.189 176.600 -0.011 0.000 1.049 456 E CA 0.168 56.562 56.400 -0.010 0.000 0.870 456 E CB 0.248 29.945 29.700 -0.006 0.000 0.944 456 E HN 0.250 nan 8.360 nan 0.000 0.492 457 S N -0.001 115.688 115.700 -0.017 0.000 2.603 457 S HA 0.193 4.662 4.470 -0.000 0.000 0.268 457 S C 0.980 175.565 174.600 -0.024 0.000 1.317 457 S CA -0.478 57.712 58.200 -0.018 0.000 1.012 457 S CB 1.120 64.304 63.200 -0.027 0.000 0.926 457 S HN 0.040 nan 8.310 nan 0.000 0.539 458 N N 0.529 119.225 118.700 -0.007 0.000 2.120 458 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 458 N C 1.856 177.325 175.510 -0.068 0.000 1.024 458 N CA 1.261 54.316 53.050 0.010 0.000 0.852 458 N CB -0.256 38.270 38.487 0.065 0.000 1.003 458 N HN 0.569 nan 8.380 nan 0.000 0.424 459 M N 1.248 120.729 119.600 -0.198 0.000 2.067 459 M HA -0.106 4.374 4.480 -0.000 0.000 0.260 459 M C 1.868 177.964 176.300 -0.340 0.000 1.069 459 M CA 1.530 56.483 55.300 -0.579 0.000 1.117 459 M CB -0.394 31.885 32.600 -0.535 0.000 1.334 459 M HN -0.026 nan 8.290 nan 0.000 0.407 460 V N 1.117 120.924 119.914 -0.179 0.000 2.358 460 V HA -0.258 3.861 4.120 -0.000 0.000 0.246 460 V C 2.540 178.585 176.094 -0.083 0.000 1.047 460 V CA 1.485 63.715 62.300 -0.117 0.000 1.035 460 V CB -0.888 30.889 31.823 -0.076 0.000 0.658 460 V HN 0.498 nan 8.190 nan 0.000 0.452 461 Q N -0.474 119.293 119.800 -0.055 0.000 2.124 461 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 461 Q C 2.192 178.179 176.000 -0.020 0.000 0.977 461 Q CA 2.090 57.875 55.803 -0.030 0.000 0.850 461 Q CB -0.441 28.292 28.738 -0.009 0.000 0.901 461 Q HN 0.826 nan 8.270 nan 0.000 0.429 462 H N 0.714 119.715 119.070 -0.116 0.000 2.326 462 H HA -0.003 4.553 4.556 -0.000 0.000 0.301 462 H C 2.025 177.280 175.328 -0.121 0.000 1.081 462 H CA 1.312 57.304 56.048 -0.093 0.000 1.334 462 H CB -0.093 29.624 29.762 -0.075 0.000 1.385 462 H HN 0.081 nan 8.280 nan 0.000 0.504 463 L N 0.213 121.373 121.223 -0.105 0.000 2.141 463 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 463 L C 2.604 179.383 176.870 -0.152 0.000 1.094 463 L CA 1.477 56.220 54.840 -0.162 0.000 0.763 463 L CB -0.398 41.587 42.059 -0.123 0.000 0.908 463 L HN 0.314 nan 8.230 nan 0.000 0.437 464 K N 0.275 120.608 120.400 -0.112 0.000 2.057 464 K HA -0.275 4.044 4.320 -0.000 0.000 0.207 464 K C 2.200 178.743 176.600 -0.095 0.000 1.049 464 K CA 1.665 57.901 56.287 -0.085 0.000 0.931 464 K CB 0.057 32.520 32.500 -0.062 0.000 0.714 464 K HN 0.090 nan 8.250 nan 0.000 0.440 465 Q N 0.819 120.544 119.800 -0.125 0.000 2.172 465 Q HA -0.028 4.312 4.340 -0.000 0.000 0.200 465 Q C 1.889 177.803 176.000 -0.144 0.000 0.964 465 Q CA 1.190 56.918 55.803 -0.124 0.000 0.855 465 Q CB -0.040 28.617 28.738 -0.136 0.000 0.918 465 Q HN 0.391 nan 8.270 nan 0.000 0.444 466 L N -0.343 120.748 121.223 -0.219 0.000 2.056 466 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 466 L C 2.508 179.316 176.870 -0.103 0.000 1.078 466 L CA 1.372 56.100 54.840 -0.186 0.000 0.749 466 L CB -0.685 41.188 42.059 -0.310 0.000 0.901 466 L HN 0.286 nan 8.230 nan 0.000 0.433 467 S N -0.039 115.603 115.700 -0.098 0.000 2.356 467 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 467 S C 2.140 176.733 174.600 -0.011 0.000 1.032 467 S CA 1.271 59.448 58.200 -0.039 0.000 1.005 467 S CB -0.118 63.066 63.200 -0.026 0.000 0.867 467 S HN 0.425 nan 8.310 nan 0.000 0.449 468 A N 0.362 123.164 122.820 -0.029 0.000 2.019 468 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 468 A C 2.248 179.823 177.584 -0.015 0.000 1.164 468 A CA 1.922 53.948 52.037 -0.019 0.000 0.644 468 A CB -0.708 18.274 19.000 -0.030 0.000 0.805 468 A HN 0.568 nan 8.150 nan 0.000 0.449 469 S N -2.265 113.420 115.700 -0.024 0.000 2.558 469 S HA 0.376 4.846 4.470 -0.000 0.000 0.217 469 S C 1.313 175.901 174.600 -0.021 0.000 0.975 469 S CA 0.793 58.982 58.200 -0.018 0.000 0.912 469 S CB 0.423 63.616 63.200 -0.013 0.000 0.776 469 S HN 1.390 nan 8.310 nan 0.000 0.526 470 G N 0.453 109.244 108.800 -0.015 0.000 2.425 470 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.177 470 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.177 470 G C -0.004 174.871 174.900 -0.042 0.000 0.999 470 G CA -0.483 44.601 45.100 -0.027 0.000 0.723 470 G HN 0.289 nan 8.290 nan 0.000 0.491 471 V N 2.636 122.532 119.914 -0.029 0.000 2.521 471 V HA 0.440 4.560 4.120 -0.000 0.000 0.286 471 V C 1.764 177.814 176.094 -0.074 0.000 1.034 471 V CA 1.395 63.679 62.300 -0.028 0.000 1.045 471 V CB 1.212 33.015 31.823 -0.035 0.000 0.974 471 V HN 0.651 nan 8.190 nan 0.000 0.480 472 T N 0.830 115.313 114.554 -0.118 0.000 2.990 472 T HA 0.198 4.548 4.350 -0.000 0.000 0.249 472 T C 0.417 175.025 174.700 -0.153 0.000 1.039 472 T CA 0.200 62.083 62.100 -0.361 0.000 1.036 472 T CB 0.089 68.583 68.868 -0.623 0.000 0.994 472 T HN 0.627 nan 8.240 nan 0.000 0.489 473 H N 0.006 118.989 119.070 -0.145 0.000 2.717 473 H HA 0.633 5.189 4.556 -0.000 0.000 0.366 473 H C -1.009 174.326 175.328 0.012 0.000 1.132 473 H CA -1.310 54.711 56.048 -0.046 0.000 1.180 473 H CB 1.274 31.021 29.762 -0.024 0.000 1.678 473 H HN 0.089 nan 8.280 nan 0.000 0.537 474 I N 1.997 122.637 120.570 0.117 0.000 2.339 474 I HA 0.185 4.354 4.170 -0.000 0.000 0.290 474 I C 0.241 176.419 176.117 0.102 0.000 0.994 474 I CA -0.364 60.996 61.300 0.100 0.000 1.191 474 I CB 1.226 39.252 38.000 0.043 0.000 1.343 474 I HN 0.665 nan 8.210 nan 0.000 0.458 475 E N 7.137 127.398 120.200 0.101 0.000 2.175 475 E HA 0.507 4.857 4.350 -0.000 0.000 0.278 475 E C -1.421 175.204 176.600 0.042 0.000 0.969 475 E CA -0.620 55.849 56.400 0.115 0.000 0.796 475 E CB 1.355 31.181 29.700 0.210 0.000 1.104 475 E HN 0.478 nan 8.360 nan 0.000 0.395 476 L N 5.216 126.440 121.223 0.002 0.000 2.272 476 L HA 0.310 4.650 4.340 -0.000 0.000 0.289 476 L C -0.203 176.608 176.870 -0.099 0.000 1.032 476 L CA -0.966 53.836 54.840 -0.063 0.000 0.810 476 L CB 0.881 42.884 42.059 -0.093 0.000 1.205 476 L HN 0.539 nan 8.230 nan 0.000 0.422 477 L N 5.660 126.800 121.223 -0.138 0.000 2.482 477 L HA 0.144 4.483 4.340 -0.000 0.000 0.273 477 L C -1.829 174.854 176.870 -0.313 0.000 1.228 477 L CA -0.793 53.910 54.840 -0.228 0.000 0.827 477 L CB -0.367 41.586 42.059 -0.177 0.000 1.099 477 L HN 0.377 nan 8.230 nan 0.000 0.494 478 P HA -0.165 nan 4.420 nan 0.000 0.238 478 P C 0.086 177.029 177.300 -0.594 0.000 1.066 478 P CA 0.802 63.447 63.100 -0.758 0.000 0.836 478 P CB -0.151 30.965 31.700 -0.974 0.000 0.743 479 V N 1.303 120.941 119.914 -0.461 0.000 3.380 479 V HA 0.255 4.375 4.120 -0.000 0.000 0.307 479 V C 0.456 176.497 176.094 -0.087 0.000 1.434 479 V CA -0.232 62.043 62.300 -0.041 0.000 1.075 479 V CB -1.252 30.750 31.823 0.298 0.000 0.954 479 V HN 0.172 nan 8.190 nan 0.000 0.444 480 F N -0.139 119.762 119.950 -0.081 0.000 2.348 480 F HA 0.726 5.252 4.527 -0.000 0.000 0.308 480 F C 0.376 176.208 175.800 0.055 0.000 1.175 480 F CA -1.572 56.426 58.000 -0.003 0.000 1.080 480 F CB -0.252 38.726 39.000 -0.035 0.000 1.341 480 F HN -0.043 nan 8.300 nan 0.000 0.518 481 D N 1.515 122.136 120.400 0.369 0.000 2.348 481 D HA 0.249 4.889 4.640 -0.000 0.000 0.259 481 D C -0.543 175.905 176.300 0.248 0.000 1.296 481 D CA -0.076 54.052 54.000 0.215 0.000 0.931 481 D CB -0.158 40.770 40.800 0.213 0.000 1.067 481 D HN 0.627 nan 8.370 nan 0.000 0.503 482 L N 1.243 122.488 121.223 0.037 0.000 2.439 482 L HA 0.744 5.083 4.340 -0.000 0.000 0.259 482 L C 0.981 177.929 176.870 0.130 0.000 1.129 482 L CA -0.569 54.304 54.840 0.055 0.000 0.803 482 L CB 1.164 43.151 42.059 -0.121 0.000 1.161 482 L HN 0.187 nan 8.230 nan 0.000 0.462 483 A N -0.324 122.548 122.820 0.086 0.000 2.197 483 A HA 0.102 4.422 4.320 -0.000 0.000 0.210 483 A C 1.637 179.209 177.584 -0.019 0.000 1.180 483 A CA 0.626 52.670 52.037 0.012 0.000 0.846 483 A CB -0.639 18.186 19.000 -0.291 0.000 0.884 483 A HN 0.903 nan 8.150 nan 0.000 0.487 484 T N -1.850 112.705 114.554 0.002 0.000 3.317 484 T HA 0.367 4.717 4.350 -0.000 0.000 0.250 484 T C 0.008 174.707 174.700 -0.001 0.000 1.106 484 T CA 0.080 62.187 62.100 0.012 0.000 0.986 484 T CB -0.477 68.430 68.868 0.064 0.000 1.010 484 T HN -0.005 nan 8.240 nan 0.000 0.560 485 V N 2.097 121.996 119.914 -0.025 0.000 2.623 485 V HA 0.387 4.507 4.120 -0.000 0.000 0.304 485 V C -0.553 175.521 176.094 -0.033 0.000 1.054 485 V CA -1.365 60.908 62.300 -0.045 0.000 0.882 485 V CB 1.852 33.606 31.823 -0.116 0.000 1.002 485 V HN 0.347 nan 8.190 nan 0.000 0.424 486 N N 3.281 121.977 118.700 -0.006 0.000 2.442 486 N HA 0.127 4.867 4.740 -0.000 0.000 0.265 486 N C 0.885 176.385 175.510 -0.017 0.000 1.138 486 N CA 0.170 53.238 53.050 0.029 0.000 0.956 486 N CB 1.352 39.883 38.487 0.075 0.000 1.067 486 N HN 0.726 nan 8.380 nan 0.000 0.474 487 E N 2.404 122.552 120.200 -0.085 0.000 2.481 487 E HA -0.023 4.326 4.350 -0.000 0.000 0.195 487 E C -0.308 176.151 176.600 -0.234 0.000 1.047 487 E CA 0.296 56.579 56.400 -0.195 0.000 0.867 487 E CB 0.115 29.651 29.700 -0.275 0.000 0.858 487 E HN 0.513 nan 8.360 nan 0.000 0.513 488 F N 1.184 121.118 119.950 -0.026 0.000 2.405 488 F HA 0.077 4.604 4.527 -0.000 0.000 0.358 488 F C 1.504 177.288 175.800 -0.027 0.000 1.151 488 F CA -0.372 57.613 58.000 -0.025 0.000 1.161 488 F CB 1.090 40.077 39.000 -0.022 0.000 1.245 488 F HN -0.126 nan 8.300 nan 0.000 0.545 489 S N 1.202 116.971 115.700 0.115 0.000 2.407 489 S HA -0.259 4.211 4.470 -0.000 0.000 0.235 489 S C 1.793 176.428 174.600 0.059 0.000 1.036 489 S CA 1.776 60.011 58.200 0.059 0.000 1.013 489 S CB -0.272 62.948 63.200 0.032 0.000 0.820 489 S HN 0.801 nan 8.310 nan 0.000 0.476 490 D N 0.689 121.137 120.400 0.080 0.000 2.348 490 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 490 D C 1.159 177.475 176.300 0.026 0.000 0.970 490 D CA 0.669 54.692 54.000 0.039 0.000 0.889 490 D CB -0.141 40.674 40.800 0.025 0.000 0.912 490 D HN 0.199 nan 8.370 nan 0.000 0.524 491 K N 0.230 120.662 120.400 0.053 0.000 2.374 491 K HA 0.223 4.543 4.320 -0.000 0.000 0.196 491 K C -0.036 176.576 176.600 0.019 0.000 1.023 491 K CA -0.154 56.152 56.287 0.033 0.000 1.103 491 K CB 1.501 34.039 32.500 0.064 0.000 0.848 491 K HN 0.119 nan 8.250 nan 0.000 0.528 492 V N 0.761 120.683 119.914 0.014 0.000 2.715 492 V HA 0.683 4.802 4.120 -0.000 0.000 0.310 492 V C -0.692 175.385 176.094 -0.027 0.000 1.054 492 V CA -1.242 61.054 62.300 -0.006 0.000 0.928 492 V CB 1.876 33.698 31.823 -0.001 0.000 1.007 492 V HN 0.131 nan 8.190 nan 0.000 0.437 493 A N 2.599 125.390 122.820 -0.048 0.000 2.381 493 A HA 0.751 5.071 4.320 -0.000 0.000 0.299 493 A C -1.067 176.466 177.584 -0.084 0.000 1.049 493 A CA -0.616 51.376 52.037 -0.075 0.000 0.715 493 A CB 1.061 19.994 19.000 -0.111 0.000 1.222 493 A HN 0.753 nan 8.150 nan 0.000 0.428 494 D N 1.535 121.886 120.400 -0.082 0.000 2.340 494 D HA 0.344 4.984 4.640 -0.000 0.000 0.243 494 D C 1.681 177.912 176.300 -0.116 0.000 0.988 494 D CA -0.332 53.617 54.000 -0.084 0.000 0.959 494 D CB 1.632 42.392 40.800 -0.066 0.000 1.226 494 D HN 0.556 nan 8.370 nan 0.000 0.509 495 I N -1.363 119.134 120.570 -0.122 0.000 2.567 495 I HA -0.257 3.913 4.170 -0.000 0.000 0.257 495 I C 1.154 177.194 176.117 -0.128 0.000 1.184 495 I CA 1.245 62.467 61.300 -0.129 0.000 1.451 495 I CB -0.195 37.755 38.000 -0.083 0.000 1.089 495 I HN 0.096 nan 8.210 nan 0.000 0.441 496 Q N 1.134 120.841 119.800 -0.155 0.000 2.472 496 Q HA 0.132 4.472 4.340 -0.000 0.000 0.208 496 Q C 0.288 176.238 176.000 -0.084 0.000 0.958 496 Q CA 0.596 56.315 55.803 -0.139 0.000 0.932 496 Q CB -0.026 28.606 28.738 -0.176 0.000 1.007 496 Q HN 0.692 nan 8.270 nan 0.000 0.508 497 Q N 0.185 119.938 119.800 -0.079 0.000 2.193 497 Q HA 0.361 4.701 4.340 -0.000 0.000 0.246 497 Q C -2.378 173.600 176.000 -0.036 0.000 0.959 497 Q CA -2.478 53.292 55.803 -0.054 0.000 0.904 497 Q CB 0.564 29.267 28.738 -0.059 0.000 1.238 497 Q HN -0.071 nan 8.270 nan 0.000 0.469 498 P HA -0.113 nan 4.420 nan 0.000 0.266 498 P C -0.475 176.855 177.300 0.050 0.000 1.193 498 P CA 0.402 63.526 63.100 0.040 0.000 0.770 498 P CB 0.335 32.060 31.700 0.042 0.000 0.836 499 F N 2.253 122.193 119.950 -0.017 0.000 2.269 499 F HA -0.217 4.309 4.527 -0.000 0.000 0.301 499 F C 2.221 178.024 175.800 0.006 0.000 1.082 499 F CA 1.945 59.935 58.000 -0.015 0.000 1.360 499 F CB -0.171 38.837 39.000 0.013 0.000 1.041 499 F HN 0.286 nan 8.300 nan 0.000 0.512 500 S N -0.002 115.828 115.700 0.217 0.000 2.399 500 S HA -0.271 4.199 4.470 -0.000 0.000 0.231 500 S C 2.192 176.822 174.600 0.049 0.000 1.022 500 S CA 1.170 59.454 58.200 0.140 0.000 0.983 500 S CB -0.711 62.548 63.200 0.099 0.000 0.803 500 S HN 0.518 nan 8.310 nan 0.000 0.480 501 R N 0.567 121.069 120.500 0.003 0.000 2.075 501 R HA 0.018 4.358 4.340 -0.000 0.000 0.232 501 R C 2.396 178.649 176.300 -0.079 0.000 1.126 501 R CA 1.282 57.362 56.100 -0.033 0.000 0.963 501 R CB -0.482 29.794 30.300 -0.040 0.000 0.858 501 R HN 0.471 nan 8.270 nan 0.000 0.435 502 L N 0.783 121.907 121.223 -0.166 0.000 2.042 502 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 502 L C 2.096 178.864 176.870 -0.169 0.000 1.076 502 L CA 1.780 56.467 54.840 -0.256 0.000 0.749 502 L CB -0.635 41.084 42.059 -0.566 0.000 0.893 502 L HN 0.255 nan 8.230 nan 0.000 0.432 503 c N 0.454 118.997 118.600 -0.094 0.000 2.435 503 c HA -0.103 4.467 4.570 -0.000 0.000 0.279 503 c C 2.647 176.742 174.090 0.008 0.000 1.321 503 c CA 0.805 57.141 56.329 0.012 0.000 1.752 503 c CB -1.187 41.398 42.510 0.126 0.000 1.959 503 c HN 0.757 nan 8.230 nan 0.000 0.500 504 E N 1.726 121.925 120.200 -0.002 0.000 2.208 504 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 504 E C 1.739 178.330 176.600 -0.015 0.000 0.988 504 E CA 1.878 58.276 56.400 -0.002 0.000 0.828 504 E CB -0.225 29.475 29.700 -0.001 0.000 0.763 504 E HN 0.576 nan 8.360 nan 0.000 0.478 505 V N -1.898 117.998 119.914 -0.031 0.000 3.644 505 V HA 0.199 4.319 4.120 -0.000 0.000 0.267 505 V C 0.551 176.625 176.094 -0.034 0.000 1.277 505 V CA -0.052 62.229 62.300 -0.032 0.000 1.096 505 V CB 0.010 31.811 31.823 -0.037 0.000 0.828 505 V HN 0.139 nan 8.190 nan 0.000 0.446 506 N N 1.368 120.044 118.700 -0.040 0.000 2.573 506 N HA 0.235 4.975 4.740 -0.000 0.000 0.262 506 N C 0.997 176.500 175.510 -0.012 0.000 1.029 506 N CA 0.712 53.740 53.050 -0.035 0.000 0.882 506 N CB 2.109 40.556 38.487 -0.066 0.000 1.204 506 N HN 0.407 nan 8.380 nan 0.000 0.519 507 S N 2.164 117.863 115.700 -0.002 0.000 2.447 507 S HA -0.074 4.395 4.470 -0.000 0.000 0.233 507 S C 1.832 176.447 174.600 0.024 0.000 1.006 507 S CA 0.832 59.039 58.200 0.012 0.000 0.957 507 S CB -0.039 63.165 63.200 0.006 0.000 0.773 507 S HN 0.490 nan 8.310 nan 0.000 0.507 508 A N 1.460 124.292 122.820 0.020 0.000 1.930 508 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 508 A C 2.350 179.974 177.584 0.067 0.000 1.175 508 A CA 1.470 53.527 52.037 0.034 0.000 0.627 508 A CB -0.947 18.066 19.000 0.023 0.000 0.815 508 A HN 0.441 nan 8.150 nan 0.000 0.443 509 V N -0.020 119.931 119.914 0.062 0.000 2.307 509 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 509 V C 2.448 178.644 176.094 0.170 0.000 1.045 509 V CA 2.221 64.595 62.300 0.123 0.000 1.024 509 V CB -0.563 31.281 31.823 0.035 0.000 0.651 509 V HN 0.614 nan 8.190 nan 0.000 0.449 510 K N 0.577 121.047 120.400 0.115 0.000 2.360 510 K HA -0.131 4.189 4.320 -0.000 0.000 0.201 510 K C 1.795 178.449 176.600 0.090 0.000 1.046 510 K CA 1.503 57.858 56.287 0.114 0.000 0.945 510 K CB -0.069 32.475 32.500 0.074 0.000 0.750 510 K HN 0.642 nan 8.250 nan 0.000 0.464 511 S N -0.862 114.884 115.700 0.077 0.000 2.554 511 S HA 0.067 4.537 4.470 -0.000 0.000 0.226 511 S C 0.461 175.094 174.600 0.054 0.000 0.980 511 S CA -0.422 57.809 58.200 0.052 0.000 0.939 511 S CB 0.306 63.526 63.200 0.034 0.000 0.832 511 S HN 0.220 nan 8.310 nan 0.000 0.486 512 S N 1.727 117.484 115.700 0.096 0.000 2.694 512 S HA 0.312 4.781 4.470 -0.000 0.000 0.278 512 S C 1.023 175.632 174.600 0.016 0.000 1.152 512 S CA -0.217 58.037 58.200 0.090 0.000 1.010 512 S CB 0.684 64.020 63.200 0.227 0.000 1.104 512 S HN 0.491 nan 8.310 nan 0.000 0.547 513 E N -0.311 119.807 120.200 -0.136 0.000 2.418 513 E HA -0.050 4.300 4.350 -0.000 0.000 0.197 513 E C 0.535 176.936 176.600 -0.330 0.000 1.026 513 E CA 0.733 56.958 56.400 -0.292 0.000 0.862 513 E CB -0.608 28.817 29.700 -0.458 0.000 0.799 513 E HN 0.714 nan 8.360 nan 0.000 0.518 514 F N 0.684 120.709 119.950 0.125 0.000 2.765 514 F HA 0.386 4.913 4.527 -0.000 0.000 0.302 514 F C 2.280 178.196 175.800 0.193 0.000 1.111 514 F CA 0.048 58.179 58.000 0.219 0.000 1.359 514 F CB 0.311 39.487 39.000 0.293 0.000 1.097 514 F HN 0.086 nan 8.300 nan 0.000 0.577 515 A N 0.706 123.667 122.820 0.235 0.000 2.032 515 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 515 A C 2.549 180.176 177.584 0.071 0.000 1.165 515 A CA 1.849 53.988 52.037 0.171 0.000 0.645 515 A CB -1.415 17.640 19.000 0.090 0.000 0.807 515 A HN 0.432 nan 8.150 nan 0.000 0.453 516 G N -2.365 106.413 108.800 -0.036 0.000 2.498 516 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 516 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 516 G C 1.222 175.949 174.900 -0.288 0.000 1.119 516 G CA 0.981 45.974 45.100 -0.179 0.000 0.766 516 G HN 0.645 nan 8.290 nan 0.000 0.552 517 Y N -0.453 119.681 120.300 -0.278 0.000 2.511 517 Y HA 0.061 4.611 4.550 -0.000 0.000 0.279 517 Y C 2.731 178.407 175.900 -0.374 0.000 1.157 517 Y CA -0.344 57.414 58.100 -0.570 0.000 1.300 517 Y CB -0.102 37.517 38.460 -1.402 0.000 1.052 517 Y HN 0.182 nan 8.280 nan 0.000 0.529 518 c N -0.189 118.460 118.600 0.081 0.000 2.401 518 c HA -0.219 4.350 4.570 -0.000 0.000 0.276 518 c C 1.908 176.090 174.090 0.154 0.000 1.233 518 c CA 1.596 58.082 56.329 0.261 0.000 1.753 518 c CB -0.544 42.091 42.510 0.207 0.000 2.029 518 c HN 0.471 nan 8.230 nan 0.000 0.478 519 D N 0.339 120.775 120.400 0.061 0.000 2.463 519 D HA 0.113 4.753 4.640 -0.000 0.000 0.224 519 D C 0.822 177.134 176.300 0.019 0.000 1.174 519 D CA 0.051 54.076 54.000 0.041 0.000 0.829 519 D CB 0.056 40.867 40.800 0.017 0.000 0.993 519 D HN 0.584 nan 8.370 nan 0.000 0.497 520 S N -2.211 113.500 115.700 0.019 0.000 2.661 520 S HA 0.509 4.978 4.470 -0.000 0.000 0.265 520 S C 1.276 175.906 174.600 0.049 0.000 1.225 520 S CA -0.085 58.122 58.200 0.011 0.000 0.986 520 S CB 1.558 64.765 63.200 0.012 0.000 1.008 520 S HN 0.039 nan 8.310 nan 0.000 0.565 521 G N -0.096 108.732 108.800 0.046 0.000 3.575 521 G HA2 0.403 4.363 3.960 -0.000 0.000 0.273 521 G HA3 0.403 4.363 3.960 -0.000 0.000 0.273 521 G C -0.131 174.807 174.900 0.063 0.000 1.053 521 G CA -0.447 44.683 45.100 0.051 0.000 0.803 521 G HN 0.591 nan 8.290 nan 0.000 0.528 522 S N 0.351 116.102 115.700 0.085 0.000 2.646 522 S HA 0.578 5.048 4.470 -0.000 0.000 0.276 522 S C 0.591 175.262 174.600 0.118 0.000 1.222 522 S CA -0.473 57.779 58.200 0.086 0.000 1.014 522 S CB 1.516 64.764 63.200 0.081 0.000 0.991 522 S HN 0.439 nan 8.310 nan 0.000 0.533 523 T N -1.338 113.264 114.554 0.081 0.000 2.874 523 T HA 0.354 4.703 4.350 -0.000 0.000 0.281 523 T C 1.370 176.120 174.700 0.084 0.000 0.994 523 T CA -0.854 61.286 62.100 0.067 0.000 1.015 523 T CB 0.547 69.426 68.868 0.018 0.000 1.028 523 T HN 0.174 nan 8.240 nan 0.000 0.523 524 V N 0.934 120.866 119.914 0.031 0.000 2.332 524 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 524 V C 2.830 178.878 176.094 -0.077 0.000 1.055 524 V CA 2.287 64.573 62.300 -0.022 0.000 1.038 524 V CB -1.062 30.636 31.823 -0.209 0.000 0.651 524 V HN 1.059 nan 8.190 nan 0.000 0.450 525 E N 0.030 120.204 120.200 -0.044 0.000 2.085 525 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 525 E C 2.227 178.853 176.600 0.043 0.000 0.994 525 E CA 1.670 58.090 56.400 0.035 0.000 0.801 525 E CB -0.055 29.682 29.700 0.063 0.000 0.743 525 E HN 0.720 nan 8.360 nan 0.000 0.453 526 E N -0.343 119.872 120.200 0.025 0.000 2.106 526 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 526 E C 2.156 178.733 176.600 -0.038 0.000 0.984 526 E CA 1.120 57.535 56.400 0.025 0.000 0.806 526 E CB 0.170 29.889 29.700 0.033 0.000 0.750 526 E HN 0.147 nan 8.360 nan 0.000 0.458 527 V N 1.421 121.268 119.914 -0.112 0.000 2.307 527 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 527 V C 2.306 178.223 176.094 -0.295 0.000 1.045 527 V CA 1.362 63.502 62.300 -0.267 0.000 1.024 527 V CB -0.422 31.107 31.823 -0.491 0.000 0.651 527 V HN 0.246 nan 8.190 nan 0.000 0.449 528 L N -0.208 120.792 121.223 -0.372 0.000 2.042 528 L HA -0.213 4.126 4.340 -0.000 0.000 0.210 528 L C 2.646 179.270 176.870 -0.410 0.000 1.076 528 L CA 2.041 56.515 54.840 -0.610 0.000 0.749 528 L CB -1.014 40.344 42.059 -1.169 0.000 0.893 528 L HN 0.358 nan 8.230 nan 0.000 0.432 529 T N -1.317 113.156 114.554 -0.134 0.000 2.708 529 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 529 T C 1.909 176.633 174.700 0.039 0.000 1.037 529 T CA 1.085 63.257 62.100 0.120 0.000 1.146 529 T CB -0.125 68.855 68.868 0.187 0.000 0.865 529 T HN 0.273 nan 8.240 nan 0.000 0.435 530 Q N 0.613 120.409 119.800 -0.007 0.000 2.224 530 Q HA 0.118 4.458 4.340 -0.000 0.000 0.203 530 Q C 2.265 178.266 176.000 0.002 0.000 0.970 530 Q CA 0.800 56.608 55.803 0.008 0.000 0.865 530 Q CB -0.469 28.280 28.738 0.019 0.000 0.922 530 Q HN 0.515 nan 8.270 nan 0.000 0.445 531 L N 0.140 121.336 121.223 -0.045 0.000 2.478 531 L HA -0.091 4.249 4.340 -0.000 0.000 0.223 531 L C 2.046 178.911 176.870 -0.008 0.000 1.140 531 L CA 0.496 55.319 54.840 -0.027 0.000 0.842 531 L CB -0.144 41.868 42.059 -0.079 0.000 0.953 531 L HN 0.122 nan 8.230 nan 0.000 0.452 532 K N 0.118 120.521 120.400 0.005 0.000 2.026 532 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 532 K C 2.091 178.709 176.600 0.030 0.000 1.048 532 K CA 1.448 57.758 56.287 0.037 0.000 0.929 532 K CB -0.150 32.400 32.500 0.084 0.000 0.713 532 K HN 0.270 nan 8.250 nan 0.000 0.439 533 Q N 1.130 120.947 119.800 0.028 0.000 2.096 533 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 533 Q C 1.441 177.452 176.000 0.018 0.000 0.982 533 Q CA 1.508 57.325 55.803 0.023 0.000 0.850 533 Q CB -0.016 28.735 28.738 0.023 0.000 0.901 533 Q HN 0.315 nan 8.270 nan 0.000 0.422 534 N N 0.374 119.086 118.700 0.020 0.000 2.314 534 N HA -0.047 4.693 4.740 -0.000 0.000 0.200 534 N C -0.713 174.807 175.510 0.016 0.000 1.135 534 N CA -0.241 52.820 53.050 0.018 0.000 0.835 534 N CB 0.351 38.853 38.487 0.025 0.000 0.989 534 N HN 0.227 nan 8.380 nan 0.000 0.478 535 D N 0.879 121.287 120.400 0.012 0.000 2.256 535 D HA 0.126 4.766 4.640 -0.000 0.000 0.250 535 D C -0.653 175.634 176.300 -0.022 0.000 1.093 535 D CA 0.267 54.269 54.000 0.004 0.000 0.882 535 D CB 1.391 42.197 40.800 0.012 0.000 1.185 535 D HN 0.307 nan 8.370 nan 0.000 0.437 536 S N 1.532 117.203 115.700 -0.048 0.000 2.703 536 S HA 0.181 4.651 4.470 -0.000 0.000 0.273 536 S C 0.804 175.310 174.600 -0.156 0.000 1.178 536 S CA -0.696 57.451 58.200 -0.088 0.000 0.838 536 S CB 1.135 64.309 63.200 -0.044 0.000 1.178 536 S HN 0.506 nan 8.310 nan 0.000 0.494 537 K N 0.029 120.322 120.400 -0.177 0.000 2.209 537 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 537 K C 0.392 177.013 176.600 0.035 0.000 1.048 537 K CA 1.767 57.948 56.287 -0.176 0.000 0.940 537 K CB -0.504 31.973 32.500 -0.040 0.000 0.729 537 K HN 0.518 nan 8.250 nan 0.000 0.451 538 D N 0.436 120.847 120.400 0.017 0.000 2.348 538 D HA -0.031 4.609 4.640 -0.000 0.000 0.211 538 D C -0.127 176.198 176.300 0.041 0.000 0.998 538 D CA 0.564 54.590 54.000 0.043 0.000 0.873 538 D CB 0.126 40.942 40.800 0.025 0.000 0.925 538 D HN 0.232 nan 8.370 nan 0.000 0.524 539 N N 0.478 119.194 118.700 0.027 0.000 2.732 539 N HA 0.076 4.816 4.740 -0.000 0.000 0.235 539 N C -2.811 172.720 175.510 0.035 0.000 1.466 539 N CA -1.145 51.927 53.050 0.036 0.000 0.751 539 N CB 1.214 39.716 38.487 0.025 0.000 1.317 539 N HN -0.238 nan 8.380 nan 0.000 0.525 540 P HA 0.078 nan 4.420 nan 0.000 0.230 540 P C 0.246 177.610 177.300 0.106 0.000 1.791 540 P CA -0.028 63.107 63.100 0.059 0.000 1.020 540 P CB -0.069 31.713 31.700 0.137 0.000 1.977 541 Q N -0.575 119.284 119.800 0.098 0.000 2.230 541 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 541 Q C 1.381 177.432 176.000 0.086 0.000 0.963 541 Q CA 0.924 56.821 55.803 0.157 0.000 0.866 541 Q CB -0.853 27.985 28.738 0.167 0.000 0.931 541 Q HN 0.072 nan 8.270 nan 0.000 0.452 542 V N 2.232 122.154 119.914 0.013 0.000 2.261 542 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 542 V C 2.534 178.602 176.094 -0.043 0.000 1.047 542 V CA 2.357 64.590 62.300 -0.112 0.000 1.015 542 V CB -0.769 30.997 31.823 -0.095 0.000 0.642 542 V HN 0.581 nan 8.190 nan 0.000 0.446 543 Q N 1.320 121.200 119.800 0.134 0.000 2.230 543 Q HA 0.011 4.351 4.340 -0.000 0.000 0.202 543 Q C 1.930 177.971 176.000 0.068 0.000 0.963 543 Q CA 1.896 57.793 55.803 0.158 0.000 0.866 543 Q CB -0.777 28.041 28.738 0.134 0.000 0.931 543 Q HN 0.468 nan 8.270 nan 0.000 0.452 544 A N 1.000 123.878 122.820 0.096 0.000 1.877 544 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 544 A C 2.059 179.683 177.584 0.068 0.000 1.186 544 A CA 1.542 53.672 52.037 0.155 0.000 0.620 544 A CB -0.740 18.442 19.000 0.304 0.000 0.822 544 A HN 0.433 nan 8.150 nan 0.000 0.443 545 L N 0.173 121.270 121.223 -0.210 0.000 2.072 545 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 545 L C 1.866 178.535 176.870 -0.336 0.000 1.079 545 L CA 2.475 56.933 54.840 -0.636 0.000 0.752 545 L CB -0.943 40.469 42.059 -1.079 0.000 0.906 545 L HN 0.416 nan 8.230 nan 0.000 0.436 546 N N -1.191 117.368 118.700 -0.234 0.000 2.289 546 N HA -0.175 4.565 4.740 -0.000 0.000 0.184 546 N C 1.604 177.065 175.510 -0.080 0.000 1.016 546 N CA 1.670 54.636 53.050 -0.140 0.000 0.872 546 N CB -0.119 38.369 38.487 0.002 0.000 0.973 546 N HN 0.417 nan 8.380 nan 0.000 0.433 547 T N 0.300 114.821 114.554 -0.056 0.000 2.833 547 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 547 T C 1.743 176.412 174.700 -0.053 0.000 1.054 547 T CA 0.783 62.855 62.100 -0.047 0.000 1.135 547 T CB -0.084 68.774 68.868 -0.016 0.000 0.869 547 T HN 0.198 nan 8.240 nan 0.000 0.466 548 L N 0.381 121.568 121.223 -0.059 0.000 2.095 548 L HA -0.002 4.338 4.340 -0.000 0.000 0.204 548 L C 2.638 179.452 176.870 -0.093 0.000 1.080 548 L CA 0.634 55.442 54.840 -0.053 0.000 0.759 548 L CB -0.671 41.372 42.059 -0.027 0.000 0.914 548 L HN 0.109 nan 8.230 nan 0.000 0.439 549 V N 0.637 120.467 119.914 -0.140 0.000 2.332 549 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 549 V C 2.819 178.855 176.094 -0.096 0.000 1.055 549 V CA 1.853 64.061 62.300 -0.153 0.000 1.038 549 V CB -0.964 30.747 31.823 -0.186 0.000 0.651 549 V HN 0.495 nan 8.190 nan 0.000 0.450 550 A N -0.724 122.048 122.820 -0.080 0.000 2.024 550 A HA -0.314 4.006 4.320 -0.000 0.000 0.220 550 A C 2.149 179.703 177.584 -0.049 0.000 1.164 550 A CA 1.985 53.984 52.037 -0.063 0.000 0.643 550 A CB -0.475 18.466 19.000 -0.098 0.000 0.806 550 A HN 0.675 nan 8.150 nan 0.000 0.451 551 Q N -0.865 118.904 119.800 -0.051 0.000 2.170 551 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 551 Q C 1.216 177.200 176.000 -0.028 0.000 0.976 551 Q CA 1.624 57.407 55.803 -0.035 0.000 0.858 551 Q CB -0.138 28.581 28.738 -0.032 0.000 0.907 551 Q HN 0.818 nan 8.270 nan 0.000 0.433 552 T N -2.010 112.522 114.554 -0.037 0.000 3.288 552 T HA 0.107 4.456 4.350 -0.000 0.000 0.293 552 T C -0.398 174.284 174.700 -0.029 0.000 1.008 552 T CA -0.376 61.705 62.100 -0.032 0.000 0.929 552 T CB 0.093 68.935 68.868 -0.043 0.000 1.152 552 T HN 0.143 nan 8.240 nan 0.000 0.517 553 D N 0.781 121.172 120.400 -0.016 0.000 2.539 553 D HA 0.374 5.014 4.640 -0.000 0.000 0.276 553 D C 0.618 176.936 176.300 0.031 0.000 1.206 553 D CA -1.057 52.945 54.000 0.003 0.000 1.081 553 D CB 0.474 41.285 40.800 0.017 0.000 1.142 553 D HN -0.052 nan 8.370 nan 0.000 0.595 554 S N -1.927 113.807 115.700 0.057 0.000 2.605 554 S HA 0.053 4.523 4.470 -0.000 0.000 0.217 554 S C -0.465 174.200 174.600 0.108 0.000 0.958 554 S CA -0.314 57.917 58.200 0.051 0.000 0.919 554 S CB -0.742 62.484 63.200 0.044 0.000 0.780 554 S HN 0.419 nan 8.310 nan 0.000 0.507 555 Y N 2.853 123.182 120.300 0.048 0.000 2.341 555 Y HA 0.611 5.161 4.550 -0.000 0.000 0.337 555 Y C -0.098 175.838 175.900 0.061 0.000 1.014 555 Y CA -0.899 57.260 58.100 0.097 0.000 1.111 555 Y CB 0.632 39.136 38.460 0.073 0.000 1.194 555 Y HN 0.034 nan 8.280 nan 0.000 0.462 556 N N 4.286 122.853 118.700 -0.223 0.000 3.134 556 N HA -0.037 4.703 4.740 -0.000 0.000 0.235 556 N C -0.211 175.363 175.510 0.107 0.000 1.092 556 N CA -0.434 52.622 53.050 0.011 0.000 1.038 556 N CB 0.483 39.022 38.487 0.088 0.000 1.684 556 N HN 0.709 nan 8.380 nan 0.000 0.551 557 W N 2.273 123.654 121.300 0.136 0.000 2.342 557 W HA 0.050 4.709 4.660 -0.000 0.000 0.297 557 W C 1.628 178.129 176.519 -0.031 0.000 1.213 557 W CA 2.273 59.716 57.345 0.162 0.000 1.251 557 W CB -0.703 28.997 29.460 0.399 0.000 1.136 557 W HN 0.907 nan 8.180 nan 0.000 0.526 558 G N -1.711 107.233 108.800 0.241 0.000 2.140 558 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.211 558 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.211 558 G C -0.207 174.660 174.900 -0.054 0.000 1.013 558 G CA -0.177 44.921 45.100 -0.004 0.000 0.705 558 G HN 0.281 nan 8.290 nan 0.000 0.508 559 Y N 1.658 122.133 120.300 0.291 0.000 3.040 559 Y HA 0.337 4.887 4.550 -0.000 0.000 0.392 559 Y C 0.457 176.567 175.900 0.350 0.000 1.105 559 Y CA -0.227 58.073 58.100 0.333 0.000 1.950 559 Y CB 0.309 38.986 38.460 0.362 0.000 2.014 559 Y HN 0.194 nan 8.280 nan 0.000 0.433 560 D N 0.630 121.235 120.400 0.341 0.000 2.468 560 D HA 0.174 4.814 4.640 -0.000 0.000 0.272 560 D C -2.921 173.489 176.300 0.182 0.000 1.221 560 D CA -1.459 52.699 54.000 0.264 0.000 0.860 560 D CB 1.466 42.374 40.800 0.180 0.000 1.190 560 D HN 0.087 nan 8.370 nan 0.000 0.509 561 P HA 0.052 nan 4.420 nan 0.000 0.262 561 P C 0.022 177.247 177.300 -0.125 0.000 1.199 561 P CA 0.136 63.199 63.100 -0.062 0.000 0.763 561 P CB 0.484 31.890 31.700 -0.491 0.000 0.790 562 F N 2.372 122.188 119.950 -0.224 0.000 2.480 562 F HA 0.128 4.655 4.527 -0.000 0.000 0.280 562 F C 0.732 176.128 175.800 -0.674 0.000 1.002 562 F CA 0.163 57.964 58.000 -0.333 0.000 1.325 562 F CB 0.647 39.571 39.000 -0.126 0.000 1.134 562 F HN 0.265 nan 8.300 nan 0.000 0.646 563 H N -0.564 118.509 119.070 0.005 0.000 2.840 563 H HA 0.156 4.712 4.556 -0.000 0.000 0.340 563 H C -0.514 174.801 175.328 -0.020 0.000 1.004 563 H CA -0.602 55.399 56.048 -0.079 0.000 1.288 563 H CB 1.272 30.980 29.762 -0.090 0.000 1.607 563 H HN 0.209 nan 8.280 nan 0.000 0.522 564 Y N 1.139 121.537 120.300 0.163 0.000 2.439 564 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 564 Y C 1.258 177.379 175.900 0.368 0.000 1.130 564 Y CA 0.803 58.966 58.100 0.105 0.000 1.254 564 Y CB 0.692 39.216 38.460 0.107 0.000 1.000 564 Y HN 0.368 nan 8.280 nan 0.000 0.554 565 T N -0.112 114.705 114.554 0.439 0.000 3.415 565 T HA 0.399 4.748 4.350 -0.000 0.000 0.282 565 T C -0.612 174.117 174.700 0.048 0.000 1.007 565 T CA -0.112 62.130 62.100 0.235 0.000 0.958 565 T CB -0.275 68.686 68.868 0.155 0.000 1.171 565 T HN -0.255 nan 8.240 nan 0.000 0.500 566 V N 1.672 121.706 119.914 0.200 0.000 2.760 566 V HA 0.462 4.582 4.120 -0.000 0.000 0.309 566 V C -2.719 173.475 176.094 0.166 0.000 1.077 566 V CA -2.598 59.740 62.300 0.064 0.000 0.910 566 V CB 2.637 34.485 31.823 0.041 0.000 1.008 566 V HN 0.058 nan 8.190 nan 0.000 0.424 567 P HA 0.175 nan 4.420 nan 0.000 0.272 567 P C -0.550 176.841 177.300 0.152 0.000 1.223 567 P CA -0.148 62.968 63.100 0.027 0.000 0.784 567 P CB 0.541 32.111 31.700 -0.218 0.000 0.923 568 E N 0.951 121.284 120.200 0.221 0.000 2.413 568 E HA 0.125 4.475 4.350 -0.000 0.000 0.263 568 E C 1.326 177.963 176.600 0.063 0.000 1.015 568 E CA 0.534 56.972 56.400 0.063 0.000 0.916 568 E CB -0.035 29.601 29.700 -0.106 0.000 0.947 568 E HN 0.511 nan 8.360 nan 0.000 0.440 569 G N 2.412 111.173 108.800 -0.066 0.000 2.426 569 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.214 569 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.214 569 G C 1.338 176.150 174.900 -0.147 0.000 1.156 569 G CA 0.579 45.638 45.100 -0.068 0.000 0.802 569 G HN 0.631 nan 8.290 nan 0.000 0.534 570 S N -0.037 115.488 115.700 -0.291 0.000 2.469 570 S HA -0.067 4.403 4.470 -0.000 0.000 0.238 570 S C 1.794 176.224 174.600 -0.283 0.000 0.998 570 S CA 0.705 58.720 58.200 -0.308 0.000 0.957 570 S CB -0.479 62.495 63.200 -0.377 0.000 0.764 570 S HN 0.339 nan 8.310 nan 0.000 0.514 571 Y N 2.020 122.113 120.300 -0.345 0.000 2.490 571 Y HA 0.612 5.162 4.550 -0.000 0.000 0.281 571 Y C 1.228 176.759 175.900 -0.615 0.000 1.174 571 Y CA -1.039 56.652 58.100 -0.682 0.000 1.295 571 Y CB -0.886 36.767 38.460 -1.345 0.000 1.062 571 Y HN 0.421 nan 8.280 nan 0.000 0.522 572 A N -0.234 122.537 122.820 -0.082 0.000 2.306 572 A HA 0.460 4.780 4.320 -0.000 0.000 0.330 572 A C 1.401 179.009 177.584 0.040 0.000 1.146 572 A CA 0.116 52.216 52.037 0.105 0.000 0.827 572 A CB 0.440 19.562 19.000 0.202 0.000 1.178 572 A HN 0.310 nan 8.150 nan 0.000 0.490 573 T N -1.805 112.785 114.554 0.061 0.000 2.951 573 T HA -0.012 4.337 4.350 -0.000 0.000 0.268 573 T C 0.180 174.895 174.700 0.024 0.000 1.073 573 T CA 1.566 63.686 62.100 0.033 0.000 1.134 573 T CB -0.125 68.766 68.868 0.039 0.000 0.884 573 T HN 0.588 nan 8.240 nan 0.000 0.479 574 D N 1.724 122.145 120.400 0.035 0.000 2.402 574 D HA 0.300 4.939 4.640 -0.000 0.000 0.252 574 D C -2.214 174.098 176.300 0.019 0.000 1.294 574 D CA -2.417 51.597 54.000 0.023 0.000 0.948 574 D CB 2.151 42.971 40.800 0.033 0.000 1.202 574 D HN -0.005 nan 8.370 nan 0.000 0.561 575 P HA 0.033 nan 4.420 nan 0.000 0.245 575 P C 0.086 177.354 177.300 -0.054 0.000 1.212 575 P CA 0.112 63.182 63.100 -0.051 0.000 0.774 575 P CB 0.446 32.070 31.700 -0.126 0.000 0.999 576 E N 1.054 121.243 120.200 -0.018 0.000 2.044 576 E HA 0.460 4.809 4.350 -0.000 0.000 0.282 576 E C 0.781 177.445 176.600 0.106 0.000 1.031 576 E CA 0.273 56.685 56.400 0.019 0.000 0.824 576 E CB -0.228 29.487 29.700 0.024 0.000 1.076 576 E HN 0.297 nan 8.360 nan 0.000 0.395 577 G N 3.094 111.997 108.800 0.172 0.000 2.527 577 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.227 577 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.227 577 G C 0.909 175.857 174.900 0.080 0.000 1.291 577 G CA 0.140 45.348 45.100 0.181 0.000 0.904 577 G HN 0.864 nan 8.290 nan 0.000 0.577 578 T N -0.997 113.580 114.554 0.038 0.000 3.072 578 T HA 0.370 4.720 4.350 -0.000 0.000 0.266 578 T C 2.570 177.288 174.700 0.031 0.000 1.127 578 T CA 2.140 64.252 62.100 0.020 0.000 1.107 578 T CB -0.333 68.528 68.868 -0.012 0.000 0.910 578 T HN 2.090 nan 8.240 nan 0.000 0.513 579 A N 3.511 126.357 122.820 0.042 0.000 1.903 579 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 579 A C 2.527 180.158 177.584 0.079 0.000 1.191 579 A CA 2.251 54.318 52.037 0.050 0.000 0.638 579 A CB -0.904 18.128 19.000 0.054 0.000 0.823 579 A HN 0.809 nan 8.150 nan 0.000 0.451 580 R N -0.173 120.391 120.500 0.106 0.000 2.159 580 R HA -0.068 4.271 4.340 -0.000 0.000 0.237 580 R C 1.773 178.170 176.300 0.161 0.000 1.131 580 R CA 1.795 58.003 56.100 0.179 0.000 0.982 580 R CB -0.768 29.651 30.300 0.199 0.000 0.868 580 R HN 0.512 nan 8.270 nan 0.000 0.453 581 I N 1.277 121.906 120.570 0.098 0.000 2.202 581 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 581 I C 2.770 178.921 176.117 0.056 0.000 1.091 581 I CA 1.552 62.911 61.300 0.098 0.000 1.368 581 I CB -0.300 37.716 38.000 0.028 0.000 1.058 581 I HN 0.234 nan 8.210 nan 0.000 0.410 582 K N 1.047 121.445 120.400 -0.003 0.000 2.097 582 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 582 K C 1.950 178.549 176.600 -0.002 0.000 1.050 582 K CA 1.257 57.509 56.287 -0.057 0.000 0.938 582 K CB 0.071 32.542 32.500 -0.048 0.000 0.718 582 K HN 0.323 nan 8.250 nan 0.000 0.442 583 E N -0.272 119.970 120.200 0.071 0.000 2.077 583 E HA -0.200 4.149 4.350 -0.000 0.000 0.193 583 E C 1.818 178.453 176.600 0.060 0.000 0.989 583 E CA 1.118 57.582 56.400 0.107 0.000 0.800 583 E CB -0.173 29.650 29.700 0.206 0.000 0.746 583 E HN 0.305 nan 8.360 nan 0.000 0.452 584 F N 1.872 121.719 119.950 -0.172 0.000 2.102 584 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 584 F C 2.353 178.065 175.800 -0.147 0.000 1.105 584 F CA 1.467 59.216 58.000 -0.417 0.000 1.239 584 F CB 0.115 38.863 39.000 -0.420 0.000 0.991 584 F HN -0.202 nan 8.300 nan 0.000 0.474 585 R N -0.637 119.940 120.500 0.127 0.000 2.096 585 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 585 R C 2.096 178.414 176.300 0.029 0.000 1.127 585 R CA 1.842 57.879 56.100 -0.105 0.000 0.968 585 R CB -0.839 29.007 30.300 -0.756 0.000 0.861 585 R HN 0.248 nan 8.270 nan 0.000 0.440 586 T N 1.366 115.922 114.554 0.002 0.000 2.788 586 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 586 T C 1.678 176.405 174.700 0.046 0.000 1.044 586 T CA 1.457 63.590 62.100 0.055 0.000 1.139 586 T CB -0.093 68.797 68.868 0.036 0.000 0.867 586 T HN 0.276 nan 8.240 nan 0.000 0.454 587 M N 0.641 120.222 119.600 -0.031 0.000 2.099 587 M HA -0.082 4.398 4.480 -0.000 0.000 0.262 587 M C 1.864 178.124 176.300 -0.066 0.000 1.067 587 M CA 1.653 56.905 55.300 -0.080 0.000 1.124 587 M CB -0.219 32.263 32.600 -0.197 0.000 1.353 587 M HN 0.089 nan 8.290 nan 0.000 0.410 588 I N 0.811 121.349 120.570 -0.054 0.000 2.163 588 I HA -0.323 3.846 4.170 -0.000 0.000 0.243 588 I C 2.523 178.720 176.117 0.133 0.000 1.085 588 I CA 1.757 63.096 61.300 0.065 0.000 1.347 588 I CB -1.665 36.514 38.000 0.299 0.000 1.044 588 I HN 0.592 nan 8.210 nan 0.000 0.408 589 Q N 0.788 120.735 119.800 0.244 0.000 2.084 589 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 589 Q C 2.305 178.347 176.000 0.069 0.000 0.978 589 Q CA 2.118 58.026 55.803 0.175 0.000 0.844 589 Q CB 0.018 28.920 28.738 0.274 0.000 0.898 589 Q HN 0.481 nan 8.270 nan 0.000 0.426 590 A N 0.803 123.654 122.820 0.052 0.000 1.902 590 A HA -0.163 4.156 4.320 -0.000 0.000 0.217 590 A C 1.988 179.568 177.584 -0.006 0.000 1.181 590 A CA 1.378 53.424 52.037 0.016 0.000 0.623 590 A CB -0.650 18.353 19.000 0.006 0.000 0.818 590 A HN 0.484 nan 8.150 nan 0.000 0.443 591 I N -0.503 120.059 120.570 -0.013 0.000 2.179 591 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 591 I C 2.505 178.608 176.117 -0.024 0.000 1.088 591 I CA 1.680 62.964 61.300 -0.026 0.000 1.357 591 I CB -0.304 37.674 38.000 -0.036 0.000 1.051 591 I HN 0.294 nan 8.210 nan 0.000 0.409 592 K N 0.153 120.540 120.400 -0.023 0.000 2.031 592 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 592 K C 2.200 178.773 176.600 -0.045 0.000 1.049 592 K CA 1.259 57.523 56.287 -0.039 0.000 0.939 592 K CB -0.174 32.294 32.500 -0.053 0.000 0.717 592 K HN 0.327 nan 8.250 nan 0.000 0.438 593 Q N 0.451 120.231 119.800 -0.034 0.000 2.123 593 Q HA -0.104 4.236 4.340 -0.000 0.000 0.196 593 Q C 1.064 177.046 176.000 -0.030 0.000 0.958 593 Q CA 1.266 57.048 55.803 -0.035 0.000 0.841 593 Q CB 0.443 29.168 28.738 -0.021 0.000 0.915 593 Q HN 0.212 nan 8.270 nan 0.000 0.455 594 D N -0.527 119.861 120.400 -0.021 0.000 2.355 594 D HA 0.049 4.688 4.640 -0.000 0.000 0.206 594 D C 1.337 177.620 176.300 -0.028 0.000 1.010 594 D CA 0.492 54.479 54.000 -0.022 0.000 0.875 594 D CB 0.596 41.387 40.800 -0.014 0.000 0.966 594 D HN 0.254 nan 8.370 nan 0.000 0.512 595 L N -0.476 120.730 121.223 -0.029 0.000 2.638 595 L HA 0.253 4.593 4.340 -0.000 0.000 0.232 595 L C 1.200 178.058 176.870 -0.021 0.000 1.099 595 L CA 0.241 55.062 54.840 -0.032 0.000 0.883 595 L CB 0.375 42.411 42.059 -0.038 0.000 1.136 595 L HN 0.026 nan 8.230 nan 0.000 0.492 596 G N 1.197 109.984 108.800 -0.023 0.000 2.198 596 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 596 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 596 G C 0.050 174.987 174.900 0.061 0.000 1.025 596 G CA 0.392 45.481 45.100 -0.019 0.000 0.769 596 G HN 0.280 nan 8.290 nan 0.000 0.507 597 M N -0.521 119.102 119.600 0.038 0.000 2.602 597 M HA 0.413 4.893 4.480 -0.000 0.000 0.312 597 M C 0.069 176.340 176.300 -0.048 0.000 1.181 597 M CA -1.034 54.293 55.300 0.045 0.000 0.910 597 M CB 1.531 34.126 32.600 -0.009 0.000 1.723 597 M HN 0.043 nan 8.290 nan 0.000 0.459 598 N N 0.379 118.953 118.700 -0.210 0.000 2.381 598 N HA 0.521 5.261 4.740 -0.000 0.000 0.254 598 N C -1.222 174.176 175.510 -0.186 0.000 1.264 598 N CA -0.253 52.612 53.050 -0.308 0.000 0.942 598 N CB 0.907 38.950 38.487 -0.739 0.000 1.190 598 N HN 0.322 nan 8.380 nan 0.000 0.495 599 V N 1.318 121.189 119.914 -0.072 0.000 2.588 599 V HA 0.487 4.607 4.120 -0.000 0.000 0.304 599 V C -0.160 175.958 176.094 0.039 0.000 1.042 599 V CA -0.613 61.687 62.300 0.001 0.000 0.877 599 V CB 1.359 33.180 31.823 -0.004 0.000 0.996 599 V HN 0.438 nan 8.190 nan 0.000 0.425 600 I N 4.658 125.277 120.570 0.081 0.000 2.474 600 I HA 0.515 4.685 4.170 -0.000 0.000 0.294 600 I C -0.255 175.846 176.117 -0.026 0.000 1.005 600 I CA -0.416 60.925 61.300 0.069 0.000 1.113 600 I CB 1.974 40.147 38.000 0.289 0.000 1.289 600 I HN 0.439 nan 8.210 nan 0.000 0.436 601 M N 4.579 124.078 119.600 -0.168 0.000 2.336 601 M HA 0.275 4.755 4.480 -0.000 0.000 0.342 601 M C -0.773 175.469 176.300 -0.095 0.000 1.128 601 M CA -0.646 54.572 55.300 -0.136 0.000 1.016 601 M CB 1.544 34.026 32.600 -0.197 0.000 1.665 601 M HN 0.436 nan 8.290 nan 0.000 0.445 602 D N 3.237 123.598 120.400 -0.066 0.000 2.312 602 D HA 0.370 5.010 4.640 -0.000 0.000 0.252 602 D C -1.133 175.149 176.300 -0.030 0.000 1.150 602 D CA -0.010 53.967 54.000 -0.038 0.000 0.870 602 D CB 0.956 41.756 40.800 -0.001 0.000 1.153 602 D HN 0.391 nan 8.370 nan 0.000 0.457 603 V N 1.205 121.013 119.914 -0.178 0.000 2.769 603 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 603 V C -0.060 175.825 176.094 -0.349 0.000 1.061 603 V CA -0.853 61.208 62.300 -0.399 0.000 0.931 603 V CB 2.005 33.458 31.823 -0.616 0.000 1.010 603 V HN 0.219 nan 8.190 nan 0.000 0.433 604 V N 4.116 123.685 119.914 -0.575 0.000 2.361 604 V HA 0.282 4.401 4.120 -0.000 0.000 0.252 604 V C -0.148 175.787 176.094 -0.264 0.000 0.986 604 V CA -0.072 62.078 62.300 -0.250 0.000 1.033 604 V CB -0.415 31.379 31.823 -0.048 0.000 1.282 604 V HN 0.957 nan 8.190 nan 0.000 0.514 605 Y N 1.117 121.422 120.300 0.008 0.000 2.529 605 Y HA -0.011 4.538 4.550 -0.000 0.000 0.290 605 Y C 2.350 178.414 175.900 0.272 0.000 1.177 605 Y CA 0.461 58.567 58.100 0.010 0.000 1.305 605 Y CB -0.164 38.245 38.460 -0.083 0.000 1.047 605 Y HN 0.630 nan 8.280 nan 0.000 0.522 606 N N 0.638 119.573 118.700 0.391 0.000 2.512 606 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 606 N C -0.100 175.550 175.510 0.232 0.000 1.073 606 N CA 0.974 54.187 53.050 0.271 0.000 0.911 606 N CB -0.329 38.352 38.487 0.323 0.000 0.964 606 N HN 0.526 nan 8.380 nan 0.000 0.447 607 H N -2.338 116.845 119.070 0.189 0.000 3.003 607 H HA 0.450 5.006 4.556 -0.000 0.000 0.327 607 H C -1.032 174.401 175.328 0.175 0.000 1.353 607 H CA -0.839 55.278 56.048 0.116 0.000 1.142 607 H CB 0.802 30.584 29.762 0.032 0.000 1.864 607 H HN 0.007 nan 8.280 nan 0.000 0.529 608 T N -1.483 113.214 114.554 0.238 0.000 2.950 608 T HA 0.223 4.573 4.350 -0.000 0.000 0.288 608 T C 0.774 175.584 174.700 0.184 0.000 1.035 608 T CA -0.716 61.456 62.100 0.120 0.000 1.028 608 T CB 1.763 70.668 68.868 0.061 0.000 1.109 608 T HN 0.825 nan 8.240 nan 0.000 0.514 609 N N 0.509 119.238 118.700 0.048 0.000 2.223 609 N HA -0.008 4.731 4.740 -0.000 0.000 0.185 609 N C 0.450 175.953 175.510 -0.011 0.000 1.016 609 N CA 1.002 54.069 53.050 0.028 0.000 0.863 609 N CB -0.044 38.376 38.487 -0.112 0.000 0.983 609 N HN 0.901 nan 8.380 nan 0.000 0.429 610 A N -0.970 121.829 122.820 -0.034 0.000 2.586 610 A HA 0.728 5.048 4.320 -0.000 0.000 0.290 610 A C -1.557 176.028 177.584 0.002 0.000 1.086 610 A CA -0.123 51.897 52.037 -0.029 0.000 0.665 610 A CB 1.051 20.004 19.000 -0.079 0.000 1.279 610 A HN 0.283 nan 8.150 nan 0.000 0.423 611 A N -0.945 121.892 122.820 0.029 0.000 2.525 611 A HA 1.106 5.426 4.320 -0.000 0.000 0.291 611 A C 0.580 178.212 177.584 0.081 0.000 1.268 611 A CA 0.066 52.155 52.037 0.087 0.000 0.712 611 A CB 0.557 19.636 19.000 0.133 0.000 1.320 611 A HN 3.000 nan 8.150 nan 0.000 0.456 612 G N -1.518 107.381 108.800 0.164 0.000 2.712 612 G HA2 0.014 3.974 3.960 -0.000 0.000 0.683 612 G HA3 0.014 3.974 3.960 -0.000 0.000 0.683 612 G C -2.270 172.562 174.900 -0.114 0.000 1.320 612 G CA -0.017 45.080 45.100 -0.006 0.000 0.847 612 G HN 0.860 nan 8.290 nan 0.000 0.553 613 P HA 0.084 nan 4.420 nan 0.000 0.255 613 P C 1.228 178.535 177.300 0.011 0.000 1.248 613 P CA 1.827 64.880 63.100 -0.078 0.000 0.807 613 P CB 0.315 31.917 31.700 -0.163 0.000 1.150 614 T N -5.906 108.616 114.554 -0.053 0.000 2.987 614 T HA 0.081 4.431 4.350 -0.000 0.000 0.248 614 T C 0.732 175.403 174.700 -0.049 0.000 0.997 614 T CA -0.010 62.073 62.100 -0.028 0.000 1.013 614 T CB -0.612 68.240 68.868 -0.027 0.000 1.077 614 T HN -0.134 nan 8.240 nan 0.000 0.483 615 D N 1.944 122.305 120.400 -0.064 0.000 2.455 615 D HA 0.039 4.679 4.640 -0.000 0.000 0.241 615 D C 1.329 177.570 176.300 -0.098 0.000 1.138 615 D CA -0.110 53.844 54.000 -0.078 0.000 0.877 615 D CB 1.123 41.873 40.800 -0.083 0.000 1.187 615 D HN 0.262 nan 8.370 nan 0.000 0.451 616 R N 1.901 122.343 120.500 -0.098 0.000 2.117 616 R HA -0.175 4.164 4.340 -0.000 0.000 0.243 616 R C 1.633 177.858 176.300 -0.125 0.000 1.143 616 R CA 2.026 58.076 56.100 -0.084 0.000 0.968 616 R CB -0.218 30.042 30.300 -0.067 0.000 0.863 616 R HN 0.543 nan 8.270 nan 0.000 0.444 617 T N -2.399 111.967 114.554 -0.313 0.000 3.107 617 T HA 0.085 4.435 4.350 -0.000 0.000 0.249 617 T C 0.651 175.194 174.700 -0.262 0.000 1.096 617 T CA 0.021 61.749 62.100 -0.620 0.000 1.012 617 T CB 0.278 68.578 68.868 -0.947 0.000 0.977 617 T HN 0.072 nan 8.240 nan 0.000 0.527 618 S N 0.637 116.255 115.700 -0.135 0.000 2.430 618 S HA 0.396 4.866 4.470 -0.000 0.000 0.282 618 S C 0.806 175.383 174.600 -0.038 0.000 1.186 618 S CA -0.690 57.469 58.200 -0.067 0.000 1.060 618 S CB 0.381 63.552 63.200 -0.049 0.000 0.966 618 S HN 0.253 nan 8.310 nan 0.000 0.501 619 V N 6.472 126.382 119.914 -0.007 0.000 2.939 619 V HA 0.075 4.195 4.120 -0.000 0.000 0.228 619 V C 2.159 178.274 176.094 0.034 0.000 1.162 619 V CA 0.493 62.802 62.300 0.014 0.000 1.222 619 V CB -0.906 30.919 31.823 0.003 0.000 1.053 619 V HN 0.782 nan 8.190 nan 0.000 0.504 620 L N 0.561 121.790 121.223 0.010 0.000 2.012 620 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 620 L C 2.162 179.168 176.870 0.226 0.000 1.073 620 L CA 2.233 57.065 54.840 -0.012 0.000 0.748 620 L CB -0.527 41.382 42.059 -0.250 0.000 0.891 620 L HN 0.434 nan 8.230 nan 0.000 0.431 621 D N -0.504 120.021 120.400 0.210 0.000 2.371 621 D HA -0.110 4.530 4.640 -0.000 0.000 0.221 621 D C 2.005 178.465 176.300 0.268 0.000 0.986 621 D CA 0.753 54.924 54.000 0.285 0.000 0.899 621 D CB 0.251 41.230 40.800 0.297 0.000 0.902 621 D HN 0.158 nan 8.370 nan 0.000 0.530 622 K N -0.501 119.996 120.400 0.161 0.000 2.202 622 K HA 0.070 4.390 4.320 -0.000 0.000 0.201 622 K C 1.572 178.291 176.600 0.200 0.000 1.051 622 K CA 0.184 56.538 56.287 0.111 0.000 0.977 622 K CB 0.509 32.800 32.500 -0.348 0.000 0.792 622 K HN 0.130 nan 8.250 nan 0.000 0.469 623 I N 0.742 121.411 120.570 0.165 0.000 2.333 623 I HA -0.077 4.093 4.170 -0.000 0.000 0.246 623 I C 0.902 177.084 176.117 0.109 0.000 1.106 623 I CA 1.180 62.574 61.300 0.157 0.000 1.411 623 I CB -0.029 38.079 38.000 0.179 0.000 1.082 623 I HN -0.219 nan 8.210 nan 0.000 0.420 624 V N 2.882 122.907 119.914 0.186 0.000 2.383 624 V HA 0.282 4.402 4.120 -0.000 0.000 0.264 624 V C -2.468 173.696 176.094 0.118 0.000 1.001 624 V CA -1.498 60.835 62.300 0.054 0.000 0.828 624 V CB 0.837 32.628 31.823 -0.054 0.000 1.069 624 V HN 0.035 nan 8.190 nan 0.000 0.451 625 P HA 0.005 nan 4.420 nan 0.000 0.264 625 P C 0.043 177.399 177.300 0.094 0.000 1.183 625 P CA 0.539 63.506 63.100 -0.221 0.000 0.763 625 P CB 0.164 31.355 31.700 -0.849 0.000 0.807 626 W N 0.791 122.070 121.300 -0.035 0.000 3.207 626 W HA -0.246 4.413 4.660 -0.000 0.000 0.291 626 W C 0.996 177.588 176.519 0.120 0.000 1.105 626 W CA 0.673 58.050 57.345 0.054 0.000 0.612 626 W CB -2.895 26.581 29.460 0.026 0.000 2.140 626 W HN 0.540 nan 8.180 nan 0.000 1.420 627 Y N -1.455 118.969 120.300 0.207 0.000 2.422 627 Y HA 0.056 4.606 4.550 -0.000 0.000 0.291 627 Y C 2.159 178.146 175.900 0.146 0.000 1.144 627 Y CA 1.880 60.045 58.100 0.109 0.000 1.208 627 Y CB -0.773 37.627 38.460 -0.102 0.000 1.195 627 Y HN -0.101 nan 8.280 nan 0.000 0.535 628 Y N 0.887 121.362 120.300 0.290 0.000 2.561 628 Y HA 0.060 4.610 4.550 -0.000 0.000 0.291 628 Y C 0.471 176.241 175.900 -0.218 0.000 1.141 628 Y CA 0.143 58.243 58.100 0.002 0.000 1.303 628 Y CB -0.062 38.416 38.460 0.029 0.000 1.015 628 Y HN 0.062 nan 8.280 nan 0.000 0.547 629 Q N 0.423 120.256 119.800 0.055 0.000 2.257 629 Q HA 0.326 4.665 4.340 -0.000 0.000 0.262 629 Q C -0.463 175.499 176.000 -0.063 0.000 0.997 629 Q CA -0.886 54.907 55.803 -0.017 0.000 0.873 629 Q CB 2.148 30.915 28.738 0.047 0.000 1.312 629 Q HN 0.200 nan 8.270 nan 0.000 0.450 630 R N 1.655 122.113 120.500 -0.071 0.000 2.308 630 R HA 0.505 4.844 4.340 -0.000 0.000 0.305 630 R C -0.710 175.556 176.300 -0.056 0.000 1.053 630 R CA -0.141 55.922 56.100 -0.062 0.000 0.957 630 R CB 0.383 30.671 30.300 -0.020 0.000 1.022 630 R HN 0.508 nan 8.270 nan 0.000 0.461 631 L N 2.736 123.918 121.223 -0.068 0.000 2.322 631 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 631 L C 0.276 177.120 176.870 -0.044 0.000 1.012 631 L CA -1.180 53.582 54.840 -0.130 0.000 0.815 631 L CB 1.493 43.355 42.059 -0.330 0.000 1.295 631 L HN 0.652 nan 8.230 nan 0.000 0.438 632 N N 0.882 119.553 118.700 -0.049 0.000 2.492 632 N HA -0.037 4.703 4.740 -0.000 0.000 0.262 632 N C 0.419 175.979 175.510 0.082 0.000 1.202 632 N CA -0.022 53.042 53.050 0.023 0.000 0.926 632 N CB 1.401 39.898 38.487 0.016 0.000 1.078 632 N HN 0.630 nan 8.380 nan 0.000 0.454 633 E N 1.739 122.043 120.200 0.173 0.000 2.209 633 E HA -0.109 4.240 4.350 -0.000 0.000 0.196 633 E C 1.077 177.909 176.600 0.386 0.000 0.993 633 E CA 1.597 58.191 56.400 0.324 0.000 0.819 633 E CB 0.145 30.012 29.700 0.278 0.000 0.745 633 E HN 0.640 nan 8.360 nan 0.000 0.477 634 T N -1.214 113.475 114.554 0.224 0.000 3.046 634 T HA -0.035 4.314 4.350 -0.000 0.000 0.242 634 T C 1.989 176.763 174.700 0.123 0.000 1.018 634 T CA 1.256 63.470 62.100 0.189 0.000 1.131 634 T CB -0.063 68.888 68.868 0.137 0.000 0.904 634 T HN 0.383 nan 8.240 nan 0.000 0.459 635 T N -1.099 113.499 114.554 0.074 0.000 3.051 635 T HA 0.386 4.736 4.350 -0.000 0.000 0.255 635 T C 1.946 176.642 174.700 -0.007 0.000 1.085 635 T CA 0.998 63.130 62.100 0.052 0.000 1.109 635 T CB -0.093 68.803 68.868 0.047 0.000 0.921 635 T HN 0.508 nan 8.240 nan 0.000 0.488 636 G N 1.126 109.842 108.800 -0.140 0.000 2.179 636 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 636 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 636 G C 0.233 174.859 174.900 -0.458 0.000 0.977 636 G CA 0.172 44.969 45.100 -0.506 0.000 0.641 636 G HN 0.760 nan 8.290 nan 0.000 0.533 637 S N -0.139 115.466 115.700 -0.158 0.000 2.562 637 S HA 0.429 4.899 4.470 -0.000 0.000 0.281 637 S C 0.846 175.385 174.600 -0.102 0.000 1.333 637 S CA -0.271 57.888 58.200 -0.069 0.000 1.052 637 S CB 1.934 65.134 63.200 -0.002 0.000 0.884 637 S HN 0.676 nan 8.310 nan 0.000 0.506 638 V N 3.975 123.858 119.914 -0.052 0.000 2.485 638 V HA 0.033 4.153 4.120 -0.000 0.000 0.287 638 V C 0.867 176.948 176.094 -0.021 0.000 1.022 638 V CA 0.097 62.373 62.300 -0.040 0.000 1.067 638 V CB -0.095 31.740 31.823 0.019 0.000 0.967 638 V HN 0.795 nan 8.190 nan 0.000 0.479 639 E N 2.951 123.137 120.200 -0.023 0.000 2.404 639 E HA 0.196 4.546 4.350 -0.000 0.000 0.261 639 E C 0.405 176.995 176.600 -0.017 0.000 1.074 639 E CA 0.310 56.705 56.400 -0.007 0.000 0.917 639 E CB 0.659 30.366 29.700 0.011 0.000 0.965 639 E HN 0.824 nan 8.360 nan 0.000 0.433 640 S N -0.118 115.570 115.700 -0.021 0.000 2.809 640 S HA 0.308 4.778 4.470 -0.000 0.000 0.248 640 S C 0.985 175.543 174.600 -0.069 0.000 1.071 640 S CA -0.145 58.022 58.200 -0.055 0.000 1.059 640 S CB 0.795 63.968 63.200 -0.047 0.000 0.923 640 S HN 0.518 nan 8.310 nan 0.000 0.516 641 A N 2.392 125.187 122.820 -0.042 0.000 2.019 641 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 641 A C 2.345 179.838 177.584 -0.152 0.000 1.164 641 A CA 1.957 53.991 52.037 -0.004 0.000 0.644 641 A CB -1.356 17.757 19.000 0.189 0.000 0.805 641 A HN 0.800 nan 8.150 nan 0.000 0.449 642 T N -4.828 109.518 114.554 -0.347 0.000 3.023 642 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 642 T C 1.287 175.809 174.700 -0.295 0.000 1.093 642 T CA 1.683 63.532 62.100 -0.418 0.000 1.129 642 T CB -0.743 67.880 68.868 -0.408 0.000 0.899 642 T HN 1.626 nan 8.240 nan 0.000 0.491 643 C N -2.330 116.813 119.300 -0.261 0.000 6.244 643 C HA -0.029 4.431 4.460 -0.000 0.000 0.213 643 C C 1.411 176.267 174.990 -0.223 0.000 1.171 643 C CA -0.592 58.291 59.018 -0.226 0.000 1.013 643 C CB -1.418 26.159 27.740 -0.271 0.000 2.346 643 C HN 0.626 nan 8.230 nan 0.000 0.694 644 C N 1.381 120.487 119.300 -0.323 0.000 3.070 644 C HA 0.740 5.200 4.460 -0.000 0.000 0.076 644 C C 0.933 175.859 174.990 -0.107 0.000 2.295 644 C CA 0.662 59.548 59.018 -0.220 0.000 1.731 644 C CB -0.033 27.518 27.740 -0.315 0.000 2.780 644 C HN 0.660 nan 8.230 nan 0.000 0.381 645 S N 1.976 117.663 115.700 -0.021 0.000 2.567 645 S HA 0.274 4.743 4.470 -0.000 0.000 0.262 645 S C -1.183 173.457 174.600 0.067 0.000 1.237 645 S CA -0.140 58.079 58.200 0.032 0.000 1.093 645 S CB -0.470 62.765 63.200 0.058 0.000 1.095 645 S HN 0.448 nan 8.310 nan 0.000 0.489 646 D N 3.246 123.656 120.400 0.016 0.000 2.533 646 D HA 0.060 4.700 4.640 -0.000 0.000 0.236 646 D C 0.809 177.117 176.300 0.014 0.000 1.137 646 D CA 0.516 54.528 54.000 0.019 0.000 0.867 646 D CB 0.517 41.311 40.800 -0.010 0.000 1.170 646 D HN 0.504 nan 8.370 nan 0.000 0.474 647 S N 0.420 116.129 115.700 0.014 0.000 2.707 647 S HA 0.703 5.173 4.470 -0.000 0.000 0.276 647 S C -0.172 174.359 174.600 -0.114 0.000 1.179 647 S CA -0.943 57.186 58.200 -0.119 0.000 0.992 647 S CB 1.769 64.891 63.200 -0.131 0.000 1.030 647 S HN 0.454 nan 8.310 nan 0.000 0.554 648 A N 1.143 123.825 122.820 -0.231 0.000 2.938 648 A HA 0.620 4.940 4.320 -0.000 0.000 0.344 648 A C -2.279 175.297 177.584 -0.014 0.000 1.142 648 A CA -1.592 50.292 52.037 -0.254 0.000 0.841 648 A CB 0.170 18.757 19.000 -0.689 0.000 1.083 648 A HN 0.617 nan 8.150 nan 0.000 0.479 649 P HA -0.170 nan 4.420 nan 0.000 0.228 649 P C 1.331 178.597 177.300 -0.056 0.000 1.151 649 P CA 1.095 64.274 63.100 0.132 0.000 0.770 649 P CB 0.326 31.944 31.700 -0.136 0.000 0.786 650 E N -1.571 118.519 120.200 -0.183 0.000 2.427 650 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 650 E C 0.000 176.665 176.600 0.108 0.000 1.028 650 E CA 0.724 57.025 56.400 -0.165 0.000 0.864 650 E CB -0.763 28.833 29.700 -0.174 0.000 0.813 650 E HN 0.335 nan 8.360 nan 0.000 0.514 651 H N 1.761 120.849 119.070 0.031 0.000 2.620 651 H HA 0.289 4.845 4.556 -0.000 0.000 0.313 651 H C 1.091 176.496 175.328 0.128 0.000 1.075 651 H CA -0.476 55.586 56.048 0.022 0.000 1.397 651 H CB 1.078 30.649 29.762 -0.319 0.000 1.446 651 H HN 0.032 nan 8.280 nan 0.000 0.493 652 R N 1.857 122.511 120.500 0.257 0.000 2.113 652 R HA -0.171 4.168 4.340 -0.000 0.000 0.244 652 R C 1.502 177.874 176.300 0.120 0.000 1.142 652 R CA 1.560 57.748 56.100 0.148 0.000 0.953 652 R CB 0.014 30.369 30.300 0.091 0.000 0.860 652 R HN 0.461 nan 8.270 nan 0.000 0.438 653 M N -0.837 118.860 119.600 0.162 0.000 2.394 653 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 653 M C 1.897 178.414 176.300 0.362 0.000 1.073 653 M CA 1.107 56.407 55.300 0.001 0.000 1.111 653 M CB -0.520 31.696 32.600 -0.639 0.000 1.401 653 M HN 0.145 nan 8.290 nan 0.000 0.448 654 F N 0.718 120.885 119.950 0.362 0.000 2.270 654 F HA 0.004 4.531 4.527 -0.000 0.000 0.295 654 F C 2.234 178.108 175.800 0.123 0.000 1.087 654 F CA 0.848 59.067 58.000 0.365 0.000 1.365 654 F CB 0.150 39.374 39.000 0.374 0.000 1.056 654 F HN 0.122 nan 8.300 nan 0.000 0.506 655 A N 0.545 123.371 122.820 0.010 0.000 1.933 655 A HA -0.251 4.068 4.320 -0.000 0.000 0.218 655 A C 2.168 179.658 177.584 -0.158 0.000 1.175 655 A CA 1.955 53.905 52.037 -0.145 0.000 0.628 655 A CB -0.758 18.212 19.000 -0.049 0.000 0.814 655 A HN 0.470 nan 8.150 nan 0.000 0.444 656 K N -0.341 120.029 120.400 -0.050 0.000 2.057 656 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 656 K C 1.980 178.572 176.600 -0.013 0.000 1.050 656 K CA 1.384 57.664 56.287 -0.012 0.000 0.935 656 K CB -0.332 32.182 32.500 0.024 0.000 0.715 656 K HN 0.434 nan 8.250 nan 0.000 0.439 657 L N 1.159 122.373 121.223 -0.015 0.000 2.042 657 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 657 L C 2.174 178.824 176.870 -0.366 0.000 1.076 657 L CA 1.390 56.164 54.840 -0.111 0.000 0.749 657 L CB -0.200 41.859 42.059 0.000 0.000 0.893 657 L HN 0.286 nan 8.230 nan 0.000 0.432 658 I N -0.137 120.065 120.570 -0.614 0.000 2.142 658 I HA -0.312 3.857 4.170 -0.000 0.000 0.240 658 I C 2.775 178.554 176.117 -0.563 0.000 1.078 658 I CA 1.272 62.022 61.300 -0.917 0.000 1.343 658 I CB -0.656 36.723 38.000 -1.034 0.000 1.046 658 I HN 0.354 nan 8.210 nan 0.000 0.405 659 A N 0.482 123.115 122.820 -0.311 0.000 1.902 659 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 659 A C 1.934 179.484 177.584 -0.057 0.000 1.181 659 A CA 2.110 54.066 52.037 -0.135 0.000 0.623 659 A CB -0.608 18.360 19.000 -0.054 0.000 0.818 659 A HN 0.356 nan 8.150 nan 0.000 0.443 660 D N -0.667 119.720 120.400 -0.022 0.000 2.144 660 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 660 D C 2.248 178.570 176.300 0.036 0.000 0.984 660 D CA 1.486 55.535 54.000 0.081 0.000 0.834 660 D CB -0.340 40.615 40.800 0.260 0.000 0.955 660 D HN 0.408 nan 8.370 nan 0.000 0.465 661 S N -0.233 115.433 115.700 -0.057 0.000 2.355 661 S HA -0.070 4.399 4.470 -0.000 0.000 0.222 661 S C 2.103 176.784 174.600 0.136 0.000 1.031 661 S CA 0.603 58.822 58.200 0.031 0.000 0.993 661 S CB -0.304 62.956 63.200 0.099 0.000 0.859 661 S HN 0.174 nan 8.310 nan 0.000 0.453 662 L N 1.196 122.438 121.223 0.032 0.000 2.079 662 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 662 L C 2.934 179.899 176.870 0.159 0.000 1.081 662 L CA 1.185 56.015 54.840 -0.015 0.000 0.752 662 L CB -0.704 41.207 42.059 -0.247 0.000 0.896 662 L HN 0.434 nan 8.230 nan 0.000 0.433 663 A N -0.372 122.520 122.820 0.119 0.000 1.902 663 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 663 A C 2.339 180.007 177.584 0.140 0.000 1.181 663 A CA 1.851 53.974 52.037 0.143 0.000 0.623 663 A CB -0.759 18.302 19.000 0.102 0.000 0.818 663 A HN 0.197 nan 8.150 nan 0.000 0.443 664 V N -2.128 117.818 119.914 0.053 0.000 2.307 664 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 664 V C 2.274 178.427 176.094 0.097 0.000 1.045 664 V CA 1.784 64.043 62.300 -0.069 0.000 1.024 664 V CB -1.091 30.529 31.823 -0.338 0.000 0.651 664 V HN 0.805 nan 8.190 nan 0.000 0.449 665 W N 0.293 121.793 121.300 0.333 0.000 2.363 665 W HA -0.173 4.487 4.660 -0.000 0.000 0.296 665 W C 2.625 179.460 176.519 0.528 0.000 1.212 665 W CA 1.549 59.188 57.345 0.491 0.000 1.260 665 W CB -0.806 28.966 29.460 0.520 0.000 1.131 665 W HN 0.131 nan 8.180 nan 0.000 0.530 666 T N -0.646 114.323 114.554 0.691 0.000 2.698 666 T HA -0.159 4.191 4.350 -0.000 0.000 0.260 666 T C 1.646 176.558 174.700 0.354 0.000 1.044 666 T CA 2.080 64.506 62.100 0.543 0.000 1.149 666 T CB -0.757 68.407 68.868 0.494 0.000 0.864 666 T HN 0.038 nan 8.240 nan 0.000 0.419 667 T N 1.979 116.689 114.554 0.261 0.000 2.770 667 T HA -0.057 4.293 4.350 -0.000 0.000 0.258 667 T C 1.634 176.430 174.700 0.159 0.000 1.039 667 T CA 0.996 63.197 62.100 0.168 0.000 1.143 667 T CB -0.323 68.608 68.868 0.105 0.000 0.866 667 T HN 0.310 nan 8.240 nan 0.000 0.428 668 D N -0.120 120.334 120.400 0.090 0.000 2.249 668 D HA 0.020 4.659 4.640 -0.000 0.000 0.205 668 D C 0.880 177.117 176.300 -0.105 0.000 0.962 668 D CA 0.905 54.852 54.000 -0.088 0.000 0.860 668 D CB 0.073 40.652 40.800 -0.367 0.000 0.955 668 D HN 0.456 nan 8.370 nan 0.000 0.505 669 Y N 0.187 120.717 120.300 0.384 0.000 2.481 669 Y HA 0.211 4.761 4.550 -0.000 0.000 0.247 669 Y C 0.297 176.589 175.900 0.654 0.000 1.151 669 Y CA -0.404 58.047 58.100 0.586 0.000 1.238 669 Y CB 0.431 39.243 38.460 0.587 0.000 1.179 669 Y HN -0.286 nan 8.280 nan 0.000 0.524 670 K N 0.691 121.412 120.400 0.536 0.000 3.077 670 K HA -0.186 4.134 4.320 -0.000 0.000 0.264 670 K C -0.681 176.074 176.600 0.258 0.000 1.008 670 K CA 0.171 56.623 56.287 0.275 0.000 0.740 670 K CB -1.448 31.038 32.500 -0.024 0.000 1.273 670 K HN 0.174 nan 8.250 nan 0.000 0.477 671 I N 1.324 122.088 120.570 0.323 0.000 2.529 671 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 671 I C 1.605 177.748 176.117 0.043 0.000 1.082 671 I CA 0.200 61.580 61.300 0.134 0.000 1.406 671 I CB 0.870 38.880 38.000 0.016 0.000 1.405 671 I HN 0.166 nan 8.210 nan 0.000 0.548 672 D N 3.905 124.308 120.400 0.005 0.000 2.327 672 D HA 0.158 4.798 4.640 -0.000 0.000 0.205 672 D C 0.908 177.296 176.300 0.147 0.000 0.989 672 D CA 0.559 54.612 54.000 0.089 0.000 0.873 672 D CB 1.077 41.932 40.800 0.090 0.000 0.955 672 D HN 0.714 nan 8.370 nan 0.000 0.515 673 G N -0.279 108.504 108.800 -0.029 0.000 2.646 673 G HA2 0.497 4.457 3.960 -0.000 0.000 0.291 673 G HA3 0.497 4.457 3.960 -0.000 0.000 0.291 673 G C -1.847 172.868 174.900 -0.309 0.000 1.445 673 G CA -0.780 44.398 45.100 0.130 0.000 0.814 673 G HN -0.065 nan 8.290 nan 0.000 0.495 674 F N 0.319 120.373 119.950 0.174 0.000 2.556 674 F HA 0.634 5.161 4.527 -0.000 0.000 0.314 674 F C 0.347 175.812 175.800 -0.559 0.000 1.106 674 F CA -0.997 56.850 58.000 -0.256 0.000 0.911 674 F CB 2.597 41.237 39.000 -0.600 0.000 1.190 674 F HN 0.271 nan 8.300 nan 0.000 0.448 675 R N 3.685 123.869 120.500 -0.526 0.000 2.239 675 R HA 0.351 4.691 4.340 -0.000 0.000 0.332 675 R C -1.716 174.294 176.300 -0.484 0.000 0.988 675 R CA -0.482 55.108 56.100 -0.849 0.000 0.859 675 R CB 0.187 30.155 30.300 -0.553 0.000 1.148 675 R HN 0.547 nan 8.270 nan 0.000 0.482 676 F N 3.067 122.780 119.950 -0.395 0.000 2.434 676 F HA 0.085 4.611 4.527 -0.000 0.000 0.358 676 F C 0.947 176.681 175.800 -0.110 0.000 1.136 676 F CA -0.222 57.628 58.000 -0.250 0.000 1.157 676 F CB 0.509 39.295 39.000 -0.358 0.000 1.167 676 F HN 0.473 nan 8.300 nan 0.000 0.539 677 D N 3.856 124.314 120.400 0.098 0.000 2.424 677 D HA 0.105 4.745 4.640 -0.000 0.000 0.244 677 D C 0.541 176.976 176.300 0.225 0.000 1.134 677 D CA 0.149 54.246 54.000 0.162 0.000 0.881 677 D CB 0.532 41.475 40.800 0.238 0.000 1.191 677 D HN 0.585 nan 8.370 nan 0.000 0.445 678 L N 3.352 124.702 121.223 0.212 0.000 3.854 678 L HA -0.273 4.067 4.340 -0.000 0.000 0.460 678 L C 1.515 178.618 176.870 0.390 0.000 1.228 678 L CA 0.027 55.060 54.840 0.323 0.000 0.760 678 L CB -1.103 41.170 42.059 0.357 0.000 1.597 678 L HN 0.753 nan 8.230 nan 0.000 0.852 679 M N 0.361 120.086 119.600 0.209 0.000 2.267 679 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 679 M C 2.108 178.529 176.300 0.202 0.000 1.063 679 M CA 2.205 57.580 55.300 0.125 0.000 1.090 679 M CB 0.046 32.602 32.600 -0.074 0.000 1.392 679 M HN 0.691 nan 8.290 nan 0.000 0.422 680 L N -2.276 119.049 121.223 0.170 0.000 2.353 680 L HA -0.144 4.196 4.340 -0.000 0.000 0.220 680 L C 1.189 178.130 176.870 0.118 0.000 1.133 680 L CA 1.250 56.152 54.840 0.102 0.000 0.798 680 L CB -1.248 40.838 42.059 0.044 0.000 0.922 680 L HN 0.198 nan 8.230 nan 0.000 0.445 681 Y N -0.469 119.985 120.300 0.257 0.000 2.490 681 Y HA 0.150 4.700 4.550 -0.000 0.000 0.281 681 Y C 0.419 176.447 175.900 0.215 0.000 1.174 681 Y CA -0.169 58.073 58.100 0.236 0.000 1.295 681 Y CB -0.278 38.283 38.460 0.169 0.000 1.062 681 Y HN 0.288 nan 8.280 nan 0.000 0.522 682 H N -0.701 118.510 119.070 0.235 0.000 2.499 682 H HA 0.315 4.871 4.556 -0.000 0.000 0.340 682 H C -2.377 172.902 175.328 -0.082 0.000 1.148 682 H CA -2.467 53.593 56.048 0.020 0.000 1.215 682 H CB 1.001 30.728 29.762 -0.058 0.000 1.529 682 H HN -0.154 nan 8.280 nan 0.000 0.510 683 P HA 0.012 nan 4.420 nan 0.000 0.275 683 P C 0.620 177.862 177.300 -0.097 0.000 1.227 683 P CA -0.316 62.553 63.100 -0.385 0.000 0.781 683 P CB 1.045 32.312 31.700 -0.721 0.000 0.906 684 K N 3.302 123.703 120.400 0.001 0.000 2.063 684 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 684 K C 1.663 178.239 176.600 -0.039 0.000 1.048 684 K CA 1.963 58.239 56.287 -0.017 0.000 0.928 684 K CB -0.601 31.908 32.500 0.016 0.000 0.713 684 K HN 0.445 nan 8.250 nan 0.000 0.442 685 A N 1.216 124.014 122.820 -0.037 0.000 1.972 685 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 685 A C 2.141 179.694 177.584 -0.052 0.000 1.169 685 A CA 1.443 53.459 52.037 -0.034 0.000 0.635 685 A CB -0.538 18.443 19.000 -0.032 0.000 0.810 685 A HN 0.500 nan 8.150 nan 0.000 0.446 686 Q N -0.219 119.525 119.800 -0.093 0.000 2.083 686 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 686 Q C 1.955 177.898 176.000 -0.094 0.000 0.969 686 Q CA 1.258 57.004 55.803 -0.095 0.000 0.838 686 Q CB -0.210 28.453 28.738 -0.124 0.000 0.900 686 Q HN 0.555 nan 8.270 nan 0.000 0.436 687 I N 1.270 121.756 120.570 -0.139 0.000 2.226 687 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 687 I C 2.491 178.599 176.117 -0.015 0.000 1.100 687 I CA 0.960 62.133 61.300 -0.212 0.000 1.374 687 I CB -1.171 36.622 38.000 -0.345 0.000 1.057 687 I HN 0.226 nan 8.210 nan 0.000 0.413 688 L N -0.234 120.996 121.223 0.012 0.000 2.093 688 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 688 L C 2.732 179.673 176.870 0.118 0.000 1.085 688 L CA 1.279 56.187 54.840 0.113 0.000 0.755 688 L CB -0.599 41.510 42.059 0.083 0.000 0.904 688 L HN 0.219 nan 8.230 nan 0.000 0.435 689 S N -0.179 115.551 115.700 0.051 0.000 2.368 689 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 689 S C 2.145 176.781 174.600 0.059 0.000 1.030 689 S CA 1.241 59.461 58.200 0.033 0.000 0.999 689 S CB -0.066 63.135 63.200 0.001 0.000 0.844 689 S HN 0.434 nan 8.310 nan 0.000 0.459 690 A N 0.194 123.068 122.820 0.089 0.000 1.933 690 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 690 A C 1.885 179.642 177.584 0.289 0.000 1.175 690 A CA 1.587 53.722 52.037 0.163 0.000 0.628 690 A CB -1.172 17.918 19.000 0.150 0.000 0.814 690 A HN 0.810 nan 8.150 nan 0.000 0.444 691 W N 1.014 122.317 121.300 0.005 0.000 2.381 691 W HA -0.101 4.559 4.660 -0.000 0.000 0.301 691 W C 1.966 178.348 176.519 -0.228 0.000 1.205 691 W CA 1.566 58.667 57.345 -0.406 0.000 1.285 691 W CB -0.430 28.716 29.460 -0.524 0.000 1.133 691 W HN 0.523 nan 8.180 nan 0.000 0.521 692 E N -0.587 119.571 120.200 -0.071 0.000 2.110 692 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 692 E C 2.280 178.807 176.600 -0.122 0.000 0.988 692 E CA 1.184 57.480 56.400 -0.173 0.000 0.804 692 E CB -0.171 29.479 29.700 -0.084 0.000 0.745 692 E HN 0.059 nan 8.360 nan 0.000 0.458 693 R N 0.352 120.833 120.500 -0.033 0.000 2.073 693 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 693 R C 2.190 178.501 176.300 0.017 0.000 1.120 693 R CA 0.805 56.904 56.100 -0.000 0.000 0.967 693 R CB -0.308 30.013 30.300 0.035 0.000 0.862 693 R HN 0.234 nan 8.270 nan 0.000 0.436 694 I N 1.093 121.696 120.570 0.055 0.000 2.546 694 I HA -0.140 4.030 4.170 -0.000 0.000 0.255 694 I C 1.904 178.036 176.117 0.026 0.000 1.163 694 I CA 0.948 62.319 61.300 0.118 0.000 1.457 694 I CB -0.734 37.455 38.000 0.316 0.000 1.092 694 I HN 0.084 nan 8.210 nan 0.000 0.434 695 K N 0.987 121.297 120.400 -0.150 0.000 2.283 695 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 695 K C 2.064 178.594 176.600 -0.116 0.000 1.048 695 K CA 1.114 57.270 56.287 -0.219 0.000 0.948 695 K CB -0.000 32.201 32.500 -0.498 0.000 0.742 695 K HN 0.269 nan 8.250 nan 0.000 0.458 696 A N 0.773 123.546 122.820 -0.079 0.000 2.066 696 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 696 A C 1.905 179.486 177.584 -0.005 0.000 1.157 696 A CA 0.948 52.958 52.037 -0.044 0.000 0.670 696 A CB -0.190 18.791 19.000 -0.033 0.000 0.804 696 A HN 0.137 nan 8.150 nan 0.000 0.453 697 L N -1.390 119.849 121.223 0.026 0.000 2.221 697 L HA 0.140 4.480 4.340 -0.000 0.000 0.202 697 L C 0.630 177.540 176.870 0.067 0.000 1.074 697 L CA 0.453 55.328 54.840 0.058 0.000 0.795 697 L CB 0.018 42.137 42.059 0.100 0.000 0.960 697 L HN 0.347 nan 8.230 nan 0.000 0.458 698 N N -0.087 118.662 118.700 0.081 0.000 2.577 698 N HA 0.164 4.904 4.740 -0.000 0.000 0.275 698 N C -2.167 173.379 175.510 0.059 0.000 1.091 698 N CA -1.750 51.355 53.050 0.092 0.000 0.843 698 N CB 1.730 40.315 38.487 0.163 0.000 1.295 698 N HN -0.199 nan 8.380 nan 0.000 0.530 699 P HA -0.035 nan 4.420 nan 0.000 0.221 699 P C -0.227 177.078 177.300 0.009 0.000 1.145 699 P CA 1.095 64.177 63.100 -0.031 0.000 0.795 699 P CB 0.551 32.232 31.700 -0.032 0.000 0.775 700 D N -0.797 119.654 120.400 0.084 0.000 2.368 700 D HA 0.128 4.768 4.640 -0.000 0.000 0.218 700 D C 0.773 177.230 176.300 0.262 0.000 1.112 700 D CA -0.589 53.501 54.000 0.150 0.000 0.834 700 D CB -0.260 40.613 40.800 0.121 0.000 0.953 700 D HN 0.179 nan 8.370 nan 0.000 0.505 701 I N 1.169 121.915 120.570 0.295 0.000 2.752 701 I HA -0.057 4.113 4.170 -0.000 0.000 0.287 701 I C -0.595 175.895 176.117 0.622 0.000 1.188 701 I CA 0.065 61.634 61.300 0.447 0.000 1.427 701 I CB 0.269 38.565 38.000 0.492 0.000 1.365 701 I HN -0.114 nan 8.210 nan 0.000 0.585 702 Y N 7.617 128.215 120.300 0.495 0.000 2.364 702 Y HA 0.565 5.115 4.550 -0.000 0.000 0.340 702 Y C -1.414 174.899 175.900 0.688 0.000 0.975 702 Y CA -0.999 57.371 58.100 0.451 0.000 1.089 702 Y CB 0.868 39.507 38.460 0.298 0.000 1.192 702 Y HN 0.351 nan 8.280 nan 0.000 0.454 703 F N 7.620 127.246 119.950 -0.540 0.000 2.495 703 F HA 0.596 5.123 4.527 -0.000 0.000 0.327 703 F C -0.799 174.655 175.800 -0.577 0.000 1.103 703 F CA -1.546 56.236 58.000 -0.362 0.000 0.949 703 F CB 1.194 39.893 39.000 -0.502 0.000 1.142 703 F HN 0.430 nan 8.300 nan 0.000 0.457 704 F N -0.092 119.713 119.950 -0.243 0.000 2.713 704 F HA 0.933 5.460 4.527 -0.000 0.000 0.311 704 F C -0.592 175.184 175.800 -0.039 0.000 1.141 704 F CA -1.343 56.493 58.000 -0.274 0.000 0.939 704 F CB 1.492 40.289 39.000 -0.337 0.000 1.325 704 F HN 0.719 nan 8.300 nan 0.000 0.453 705 G N 0.166 108.932 108.800 -0.057 0.000 2.428 705 G HA2 0.414 4.374 3.960 -0.000 0.000 0.304 705 G HA3 0.414 4.374 3.960 -0.000 0.000 0.304 705 G C -2.173 172.761 174.900 0.057 0.000 1.303 705 G CA -1.027 44.068 45.100 -0.009 0.000 0.825 705 G HN 0.789 nan 8.290 nan 0.000 0.484 706 E N 0.191 120.356 120.200 -0.058 0.000 2.129 706 E HA 0.434 4.783 4.350 -0.000 0.000 0.283 706 E C 0.388 176.633 176.600 -0.592 0.000 1.080 706 E CA -0.058 56.028 56.400 -0.524 0.000 0.867 706 E CB 1.219 30.628 29.700 -0.486 0.000 1.056 706 E HN 0.596 nan 8.360 nan 0.000 0.404 707 G N 3.929 112.304 108.800 -0.707 0.000 4.420 707 G HA2 0.136 4.095 3.960 -0.000 0.000 0.299 707 G HA3 0.136 4.095 3.960 -0.000 0.000 0.299 707 G C -0.381 174.378 174.900 -0.236 0.000 1.343 707 G CA -0.570 44.302 45.100 -0.379 0.000 1.272 707 G HN 0.458 nan 8.290 nan 0.000 0.610 708 W N -0.289 121.047 121.300 0.060 0.000 1.711 708 W HA 0.382 5.042 4.660 -0.000 0.000 0.463 708 W C 0.303 176.826 176.519 0.006 0.000 2.053 708 W CA -0.880 56.497 57.345 0.054 0.000 2.290 708 W CB 0.610 30.130 29.460 0.100 0.000 1.607 708 W HN -0.013 nan 8.180 nan 0.000 0.789 709 D N -0.038 120.531 120.400 0.283 0.000 2.373 709 D HA 0.097 4.737 4.640 -0.000 0.000 0.227 709 D C 0.692 176.988 176.300 -0.006 0.000 1.091 709 D CA -0.079 53.972 54.000 0.084 0.000 0.840 709 D CB 1.383 42.222 40.800 0.064 0.000 1.060 709 D HN 0.338 nan 8.370 nan 0.000 0.502 710 S N 2.702 118.276 115.700 -0.209 0.000 2.558 710 S HA -0.041 4.429 4.470 -0.000 0.000 0.217 710 S C 1.064 175.417 174.600 -0.412 0.000 0.975 710 S CA 0.118 57.949 58.200 -0.615 0.000 0.912 710 S CB -0.369 62.088 63.200 -1.239 0.000 0.776 710 S HN 0.787 nan 8.310 nan 0.000 0.526 711 N N 0.319 118.881 118.700 -0.230 0.000 2.782 711 N HA -0.170 4.569 4.740 -0.000 0.000 0.251 711 N C -0.208 175.163 175.510 -0.231 0.000 1.101 711 N CA 0.745 53.696 53.050 -0.165 0.000 0.764 711 N CB -0.712 37.724 38.487 -0.085 0.000 1.122 711 N HN 0.416 nan 8.380 nan 0.000 0.561 712 Q N -0.438 119.149 119.800 -0.355 0.000 2.220 712 Q HA 0.234 4.573 4.340 -0.000 0.000 0.205 712 Q C 1.241 176.854 176.000 -0.646 0.000 0.865 712 Q CA 0.063 55.550 55.803 -0.525 0.000 0.960 712 Q CB 0.497 28.830 28.738 -0.675 0.000 1.097 712 Q HN 0.290 nan 8.270 nan 0.000 0.493 713 S N 2.126 117.598 115.700 -0.380 0.000 2.442 713 S HA -0.131 4.339 4.470 -0.000 0.000 0.236 713 S C 1.398 175.861 174.600 -0.228 0.000 1.007 713 S CA 1.366 59.401 58.200 -0.276 0.000 0.965 713 S CB -0.036 63.078 63.200 -0.144 0.000 0.773 713 S HN 0.562 nan 8.310 nan 0.000 0.504 714 D N 0.968 121.234 120.400 -0.223 0.000 2.269 714 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 714 D C 1.668 177.889 176.300 -0.132 0.000 0.963 714 D CA 0.611 54.537 54.000 -0.123 0.000 0.864 714 D CB -0.146 40.609 40.800 -0.074 0.000 0.936 714 D HN 0.361 nan 8.370 nan 0.000 0.505 715 R N -0.624 119.665 120.500 -0.352 0.000 2.175 715 R HA 0.217 4.556 4.340 -0.000 0.000 0.202 715 R C 0.070 176.336 176.300 -0.056 0.000 1.018 715 R CA 0.421 56.323 56.100 -0.330 0.000 1.029 715 R CB 0.394 30.335 30.300 -0.597 0.000 0.959 715 R HN 0.254 nan 8.270 nan 0.000 0.480 716 F N -1.811 118.116 119.950 -0.038 0.000 2.842 716 F HA 0.314 4.841 4.527 -0.000 0.000 0.319 716 F C -1.261 174.522 175.800 -0.027 0.000 1.159 716 F CA -1.677 56.309 58.000 -0.022 0.000 0.902 716 F CB 0.911 39.898 39.000 -0.021 0.000 1.311 716 F HN -0.311 nan 8.300 nan 0.000 0.453 717 E N 2.918 123.295 120.200 0.295 0.000 2.299 717 E HA 0.375 4.725 4.350 -0.000 0.000 0.272 717 E C -0.196 176.583 176.600 0.298 0.000 1.043 717 E CA -0.508 55.999 56.400 0.179 0.000 0.895 717 E CB 0.575 30.340 29.700 0.108 0.000 1.011 717 E HN 0.660 nan 8.360 nan 0.000 0.432 718 I N 0.905 121.588 120.570 0.189 0.000 2.764 718 I HA 0.398 4.568 4.170 -0.000 0.000 0.294 718 I C 0.084 176.259 176.117 0.096 0.000 1.045 718 I CA -0.743 60.684 61.300 0.211 0.000 1.340 718 I CB 1.396 39.439 38.000 0.072 0.000 1.436 718 I HN 0.442 nan 8.210 nan 0.000 0.567 719 A N 4.562 127.428 122.820 0.077 0.000 3.004 719 A HA 0.460 4.779 4.320 -0.000 0.000 0.286 719 A C 0.423 177.978 177.584 -0.048 0.000 1.632 719 A CA -0.192 51.838 52.037 -0.012 0.000 1.339 719 A CB -1.238 17.727 19.000 -0.058 0.000 1.136 719 A HN 0.842 nan 8.150 nan 0.000 0.577 720 S N 0.716 116.383 115.700 -0.054 0.000 2.747 720 S HA 0.393 4.863 4.470 -0.000 0.000 0.300 720 S C 0.816 175.318 174.600 -0.163 0.000 1.121 720 S CA -0.602 57.541 58.200 -0.095 0.000 0.995 720 S CB 0.836 64.003 63.200 -0.055 0.000 1.113 720 S HN 0.573 nan 8.310 nan 0.000 0.547 721 Q N -0.219 119.413 119.800 -0.279 0.000 2.077 721 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 721 Q C 1.816 177.580 176.000 -0.393 0.000 0.989 721 Q CA 1.804 57.264 55.803 -0.571 0.000 0.853 721 Q CB -0.492 27.576 28.738 -1.117 0.000 0.907 721 Q HN 0.655 nan 8.270 nan 0.000 0.418 722 I N 1.320 121.751 120.570 -0.233 0.000 2.113 722 I HA -0.242 3.928 4.170 -0.000 0.000 0.238 722 I C 1.727 177.839 176.117 -0.009 0.000 1.070 722 I CA 1.358 62.622 61.300 -0.061 0.000 1.332 722 I CB -1.425 36.566 38.000 -0.015 0.000 1.044 722 I HN 0.258 nan 8.210 nan 0.000 0.402 723 N N 0.871 119.558 118.700 -0.021 0.000 2.381 723 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 723 N C 1.734 177.246 175.510 0.003 0.000 1.025 723 N CA 0.753 53.804 53.050 0.002 0.000 0.888 723 N CB -0.201 38.289 38.487 0.004 0.000 0.965 723 N HN 0.382 nan 8.380 nan 0.000 0.438 724 L N 0.469 121.683 121.223 -0.016 0.000 2.591 724 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 724 L C 0.893 177.784 176.870 0.034 0.000 1.133 724 L CA -0.111 54.722 54.840 -0.010 0.000 0.880 724 L CB -0.083 41.944 42.059 -0.053 0.000 1.033 724 L HN 0.007 nan 8.230 nan 0.000 0.450 725 K N 1.056 121.496 120.400 0.067 0.000 2.511 725 K HA 0.057 4.377 4.320 -0.000 0.000 0.280 725 K C 1.208 177.856 176.600 0.080 0.000 1.008 725 K CA 0.962 57.312 56.287 0.105 0.000 1.050 725 K CB 0.269 32.841 32.500 0.120 0.000 0.889 725 K HN 0.230 nan 8.250 nan 0.000 0.484 726 G N 2.587 111.437 108.800 0.083 0.000 2.184 726 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.264 726 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.264 726 G C 0.723 175.673 174.900 0.085 0.000 0.975 726 G CA 1.008 46.155 45.100 0.078 0.000 0.642 726 G HN 0.816 nan 8.290 nan 0.000 0.536 727 T N -2.738 111.859 114.554 0.072 0.000 3.054 727 T HA 0.409 4.759 4.350 -0.000 0.000 0.259 727 T C 2.496 177.262 174.700 0.109 0.000 1.092 727 T CA 1.805 63.958 62.100 0.088 0.000 1.121 727 T CB 0.175 69.065 68.868 0.036 0.000 0.912 727 T HN 2.212 nan 8.240 nan 0.000 0.489 728 G N 1.207 110.036 108.800 0.048 0.000 2.176 728 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.232 728 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.232 728 G C -0.042 174.703 174.900 -0.258 0.000 0.986 728 G CA -0.059 45.060 45.100 0.031 0.000 0.643 728 G HN 0.549 nan 8.290 nan 0.000 0.522 729 I N 2.325 122.704 120.570 -0.319 0.000 2.325 729 I HA 0.493 4.663 4.170 -0.000 0.000 0.291 729 I C 1.327 177.332 176.117 -0.188 0.000 1.019 729 I CA -0.196 60.853 61.300 -0.418 0.000 1.302 729 I CB 0.515 38.300 38.000 -0.359 0.000 1.401 729 I HN 0.140 nan 8.210 nan 0.000 0.485 730 G N 4.735 113.429 108.800 -0.178 0.000 2.507 730 G HA2 0.570 4.530 3.960 -0.000 0.000 0.271 730 G HA3 0.570 4.530 3.960 -0.000 0.000 0.271 730 G C -0.256 174.636 174.900 -0.014 0.000 1.189 730 G CA -0.136 44.963 45.100 -0.001 0.000 0.859 730 G HN 0.675 nan 8.290 nan 0.000 0.542 731 T N -1.802 112.749 114.554 -0.005 0.000 2.916 731 T HA 0.548 4.898 4.350 -0.000 0.000 0.305 731 T C -0.550 174.117 174.700 -0.056 0.000 1.119 731 T CA -0.816 61.250 62.100 -0.057 0.000 1.008 731 T CB 1.266 70.079 68.868 -0.092 0.000 1.129 731 T HN 0.230 nan 8.240 nan 0.000 0.480 732 F N 1.900 121.790 119.950 -0.101 0.000 2.572 732 F HA 0.416 4.943 4.527 -0.000 0.000 0.370 732 F C 1.417 177.327 175.800 0.183 0.000 1.103 732 F CA 0.276 58.261 58.000 -0.025 0.000 1.286 732 F CB 0.850 39.742 39.000 -0.180 0.000 1.105 732 F HN 0.668 nan 8.300 nan 0.000 0.583 733 S N 2.035 118.034 115.700 0.500 0.000 2.442 733 S HA 0.218 4.688 4.470 -0.000 0.000 0.297 733 S C 0.382 175.226 174.600 0.406 0.000 1.131 733 S CA -0.987 57.476 58.200 0.438 0.000 1.092 733 S CB 0.485 63.820 63.200 0.226 0.000 0.998 733 S HN 0.604 nan 8.310 nan 0.000 0.478 734 D N 4.299 124.906 120.400 0.346 0.000 2.339 734 D HA 0.080 4.720 4.640 -0.000 0.000 0.217 734 D C 1.381 177.558 176.300 -0.204 0.000 1.050 734 D CA 0.047 54.129 54.000 0.138 0.000 0.856 734 D CB 0.070 41.006 40.800 0.226 0.000 0.922 734 D HN 0.294 nan 8.370 nan 0.000 0.518 735 R N 0.653 120.944 120.500 -0.348 0.000 2.070 735 R HA 0.138 4.478 4.340 -0.000 0.000 0.227 735 R C 2.331 178.527 176.300 -0.173 0.000 1.147 735 R CA 0.805 56.626 56.100 -0.465 0.000 0.924 735 R CB -1.214 28.878 30.300 -0.347 0.000 0.827 735 R HN 0.236 nan 8.270 nan 0.000 0.431 736 L N 0.800 121.953 121.223 -0.117 0.000 2.083 736 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 736 L C 2.555 179.380 176.870 -0.075 0.000 1.083 736 L CA 1.422 56.216 54.840 -0.076 0.000 0.752 736 L CB -0.220 41.807 42.059 -0.052 0.000 0.899 736 L HN 0.166 nan 8.230 nan 0.000 0.433 737 R N -0.026 120.395 120.500 -0.131 0.000 2.115 737 R HA -0.251 4.089 4.340 -0.000 0.000 0.239 737 R C 1.804 178.039 176.300 -0.107 0.000 1.133 737 R CA 2.564 58.529 56.100 -0.224 0.000 0.935 737 R CB -0.477 29.539 30.300 -0.473 0.000 0.853 737 R HN 0.440 nan 8.270 nan 0.000 0.433 738 D N -0.225 120.153 120.400 -0.037 0.000 2.183 738 D HA -0.047 4.593 4.640 -0.000 0.000 0.203 738 D C 1.699 178.031 176.300 0.053 0.000 0.969 738 D CA 1.294 55.322 54.000 0.046 0.000 0.842 738 D CB -0.206 40.702 40.800 0.180 0.000 0.957 738 D HN 0.427 nan 8.370 nan 0.000 0.484 739 A N 0.349 123.192 122.820 0.038 0.000 1.933 739 A HA -0.117 4.202 4.320 -0.000 0.000 0.218 739 A C 2.408 180.002 177.584 0.018 0.000 1.175 739 A CA 1.181 53.231 52.037 0.022 0.000 0.628 739 A CB -0.467 18.520 19.000 -0.022 0.000 0.814 739 A HN 0.161 nan 8.150 nan 0.000 0.444 740 V N -0.714 119.206 119.914 0.010 0.000 2.500 740 V HA -0.107 4.013 4.120 -0.000 0.000 0.243 740 V C 2.532 178.647 176.094 0.034 0.000 1.039 740 V CA 1.756 64.071 62.300 0.025 0.000 1.053 740 V CB -0.686 31.150 31.823 0.022 0.000 0.695 740 V HN 0.477 nan 8.190 nan 0.000 0.463 741 R N 0.222 120.735 120.500 0.021 0.000 2.090 741 R HA 0.270 4.610 4.340 -0.000 0.000 0.228 741 R C 1.026 177.348 176.300 0.036 0.000 1.110 741 R CA 0.880 56.997 56.100 0.029 0.000 0.973 741 R CB -0.161 30.148 30.300 0.015 0.000 0.869 741 R HN 0.589 nan 8.270 nan 0.000 0.440 742 G N -0.941 107.880 108.800 0.035 0.000 2.712 742 G HA2 0.208 4.168 3.960 -0.000 0.000 0.686 742 G HA3 0.208 4.168 3.960 -0.000 0.000 0.686 742 G C 0.206 175.126 174.900 0.033 0.000 1.181 742 G CA -0.523 44.600 45.100 0.039 0.000 0.762 742 G HN 0.592 nan 8.290 nan 0.000 0.641 743 G N -0.051 108.770 108.800 0.035 0.000 2.566 743 G HA2 0.479 4.439 3.960 -0.000 0.000 0.280 743 G HA3 0.479 4.439 3.960 -0.000 0.000 0.280 743 G C 1.277 176.200 174.900 0.038 0.000 1.225 743 G CA 1.352 46.468 45.100 0.027 0.000 0.966 743 G HN 2.908 nan 8.290 nan 0.000 0.560 744 G N -2.161 106.653 108.800 0.024 0.000 2.682 744 G HA2 0.772 4.732 3.960 -0.000 0.000 0.290 744 G HA3 0.772 4.732 3.960 -0.000 0.000 0.290 744 G C -1.837 173.021 174.900 -0.070 0.000 1.425 744 G CA 0.443 45.556 45.100 0.022 0.000 0.807 744 G HN 0.761 nan 8.290 nan 0.000 0.482 745 P HA 0.065 nan 4.420 nan 0.000 0.234 745 P C 0.308 177.248 177.300 -0.601 0.000 1.167 745 P CA 0.678 63.499 63.100 -0.466 0.000 0.763 745 P CB 0.022 31.321 31.700 -0.669 0.000 0.835 746 F N -0.506 119.406 119.950 -0.064 0.000 2.664 746 F HA 0.224 4.751 4.527 -0.000 0.000 0.303 746 F C 0.733 176.495 175.800 -0.063 0.000 1.092 746 F CA -0.630 57.333 58.000 -0.063 0.000 1.305 746 F CB -0.296 38.663 39.000 -0.068 0.000 1.054 746 F HN -0.241 nan 8.300 nan 0.000 0.565 747 D N 1.141 121.566 120.400 0.041 0.000 2.382 747 D HA 0.321 4.961 4.640 -0.000 0.000 0.245 747 D C 0.370 176.635 176.300 -0.057 0.000 1.120 747 D CA 0.358 54.351 54.000 -0.013 0.000 0.890 747 D CB 1.284 42.053 40.800 -0.053 0.000 1.201 747 D HN 0.178 nan 8.370 nan 0.000 0.433 748 S N -0.382 115.276 115.700 -0.071 0.000 2.607 748 S HA 0.748 5.218 4.470 -0.000 0.000 0.273 748 S C 0.425 174.960 174.600 -0.109 0.000 1.148 748 S CA -0.101 58.043 58.200 -0.092 0.000 0.833 748 S CB 1.809 64.979 63.200 -0.051 0.000 1.130 748 S HN 0.781 nan 8.310 nan 0.000 0.470 749 G N 1.955 110.685 108.800 -0.117 0.000 2.566 749 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 749 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 749 G C 0.114 174.936 174.900 -0.130 0.000 1.225 749 G CA 0.839 45.879 45.100 -0.100 0.000 0.966 749 G HN 0.863 nan 8.290 nan 0.000 0.560 750 D N 0.781 121.129 120.400 -0.086 0.000 2.263 750 D HA 0.192 4.832 4.640 -0.000 0.000 0.208 750 D C 2.656 178.901 176.300 -0.092 0.000 0.971 750 D CA 2.027 55.980 54.000 -0.079 0.000 0.867 750 D CB -0.523 40.250 40.800 -0.045 0.000 0.929 750 D HN 0.859 nan 8.370 nan 0.000 0.492 751 A N 0.145 122.909 122.820 -0.094 0.000 1.972 751 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 751 A C 2.133 179.644 177.584 -0.122 0.000 1.169 751 A CA 0.804 52.791 52.037 -0.083 0.000 0.635 751 A CB -0.650 18.311 19.000 -0.064 0.000 0.810 751 A HN 0.261 nan 8.150 nan 0.000 0.446 752 L N -1.438 119.652 121.223 -0.222 0.000 2.191 752 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 752 L C 2.740 179.471 176.870 -0.231 0.000 1.103 752 L CA 1.761 56.388 54.840 -0.356 0.000 0.769 752 L CB -0.307 41.245 42.059 -0.845 0.000 0.908 752 L HN 0.483 nan 8.230 nan 0.000 0.438 753 R N -0.525 119.887 120.500 -0.146 0.000 2.105 753 R HA -0.048 4.292 4.340 -0.000 0.000 0.214 753 R C 2.274 178.565 176.300 -0.015 0.000 1.091 753 R CA 0.481 56.563 56.100 -0.031 0.000 1.007 753 R CB 0.068 30.368 30.300 0.000 0.000 0.912 753 R HN 0.318 nan 8.270 nan 0.000 0.450 754 Q N 0.423 120.206 119.800 -0.029 0.000 2.096 754 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 754 Q C 0.014 176.012 176.000 -0.003 0.000 0.982 754 Q CA 0.972 56.767 55.803 -0.013 0.000 0.850 754 Q CB -0.062 28.665 28.738 -0.018 0.000 0.901 754 Q HN 0.242 nan 8.270 nan 0.000 0.422 755 N N 2.374 121.067 118.700 -0.011 0.000 3.050 755 N HA 0.045 4.785 4.740 -0.000 0.000 0.289 755 N C -0.772 174.748 175.510 0.018 0.000 1.209 755 N CA 0.347 53.399 53.050 0.004 0.000 1.154 755 N CB 0.211 38.697 38.487 -0.002 0.000 1.444 755 N HN 0.288 nan 8.380 nan 0.000 0.529 756 Q N -0.187 119.630 119.800 0.028 0.000 2.394 756 Q HA 0.424 4.764 4.340 -0.000 0.000 0.248 756 Q C 0.874 176.903 176.000 0.048 0.000 0.992 756 Q CA -0.155 55.672 55.803 0.039 0.000 0.888 756 Q CB 0.940 29.706 28.738 0.047 0.000 1.257 756 Q HN 0.475 nan 8.270 nan 0.000 0.462 757 G N -0.464 108.368 108.800 0.054 0.000 2.735 757 G HA2 0.288 4.248 3.960 -0.000 0.000 0.301 757 G HA3 0.288 4.248 3.960 -0.000 0.000 0.301 757 G C 0.303 175.250 174.900 0.078 0.000 1.279 757 G CA -0.590 44.544 45.100 0.057 0.000 1.019 757 G HN 0.507 nan 8.290 nan 0.000 0.497 758 V N 0.518 120.474 119.914 0.070 0.000 2.469 758 V HA -0.022 4.098 4.120 -0.000 0.000 0.251 758 V C 2.432 178.617 176.094 0.152 0.000 1.064 758 V CA 3.028 65.381 62.300 0.088 0.000 1.066 758 V CB -0.653 31.201 31.823 0.052 0.000 0.667 758 V HN 0.824 nan 8.190 nan 0.000 0.461 759 G N -0.604 108.272 108.800 0.127 0.000 2.534 759 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.217 759 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.217 759 G C 1.284 176.260 174.900 0.127 0.000 1.128 759 G CA 0.935 46.125 45.100 0.150 0.000 0.784 759 G HN 0.803 nan 8.290 nan 0.000 0.542 760 S N -1.264 114.497 115.700 0.100 0.000 2.663 760 S HA 0.462 4.932 4.470 -0.000 0.000 0.243 760 S C 1.240 175.912 174.600 0.119 0.000 1.009 760 S CA 0.514 58.728 58.200 0.023 0.000 0.988 760 S CB 0.433 63.624 63.200 -0.016 0.000 0.896 760 S HN 1.333 nan 8.310 nan 0.000 0.502 761 G N 1.106 110.090 108.800 0.307 0.000 2.142 761 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.225 761 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.225 761 G C 0.263 175.267 174.900 0.172 0.000 1.015 761 G CA -0.365 44.944 45.100 0.347 0.000 0.716 761 G HN 1.307 nan 8.290 nan 0.000 0.508 762 A N -0.526 122.368 122.820 0.123 0.000 2.566 762 A HA 0.599 4.919 4.320 -0.000 0.000 0.245 762 A C 2.191 179.816 177.584 0.068 0.000 1.056 762 A CA 2.260 54.345 52.037 0.080 0.000 0.757 762 A CB -0.103 18.936 19.000 0.066 0.000 0.979 762 A HN 2.491 nan 8.150 nan 0.000 0.508 763 G N 0.988 109.822 108.800 0.056 0.000 3.444 763 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.222 763 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.222 763 G C 1.369 176.294 174.900 0.043 0.000 1.358 763 G CA 1.164 46.290 45.100 0.042 0.000 0.880 763 G HN 2.124 nan 8.290 nan 0.000 0.555 764 V N -1.726 118.217 119.914 0.048 0.000 2.719 764 V HA 0.604 4.724 4.120 -0.000 0.000 0.252 764 V C 1.315 177.459 176.094 0.083 0.000 1.065 764 V CA 2.115 64.439 62.300 0.040 0.000 1.086 764 V CB 0.413 32.229 31.823 -0.012 0.000 0.700 764 V HN 1.042 nan 8.190 nan 0.000 0.467 765 L N 2.782 124.083 121.223 0.130 0.000 2.511 765 L HA 0.568 4.908 4.340 -0.000 0.000 0.252 765 L C -2.665 174.268 176.870 0.106 0.000 1.542 765 L CA -1.998 52.931 54.840 0.149 0.000 0.822 765 L CB 1.356 43.576 42.059 0.269 0.000 1.050 765 L HN 0.087 nan 8.230 nan 0.000 0.516 766 P HA 0.143 nan 4.420 nan 0.000 0.268 766 P C -0.592 176.734 177.300 0.043 0.000 1.205 766 P CA 0.007 63.138 63.100 0.053 0.000 0.771 766 P CB 0.821 32.546 31.700 0.042 0.000 0.858 767 N N 1.502 120.222 118.700 0.034 0.000 2.431 767 N HA 0.025 4.765 4.740 -0.000 0.000 0.289 767 N C 1.074 176.598 175.510 0.023 0.000 1.277 767 N CA -0.471 52.595 53.050 0.027 0.000 0.972 767 N CB -0.111 38.390 38.487 0.023 0.000 1.143 767 N HN 0.402 nan 8.380 nan 0.000 0.578 768 E N -0.487 119.724 120.200 0.019 0.000 2.482 768 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 768 E C 0.849 177.457 176.600 0.012 0.000 1.047 768 E CA 0.809 57.219 56.400 0.016 0.000 0.869 768 E CB -0.354 29.355 29.700 0.015 0.000 0.836 768 E HN 0.701 nan 8.360 nan 0.000 0.520 769 L N 0.206 121.436 121.223 0.011 0.000 2.609 769 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 769 L C 1.447 178.319 176.870 0.004 0.000 1.064 769 L CA 0.055 54.898 54.840 0.005 0.000 0.873 769 L CB 0.236 42.295 42.059 0.000 0.000 1.139 769 L HN -0.052 nan 8.230 nan 0.000 0.490 770 T N 0.233 114.793 114.554 0.009 0.000 2.903 770 T HA 0.066 4.416 4.350 -0.000 0.000 0.314 770 T C 0.986 175.692 174.700 0.010 0.000 1.078 770 T CA 0.683 62.789 62.100 0.010 0.000 1.114 770 T CB 0.631 69.510 68.868 0.018 0.000 0.987 770 T HN 0.387 nan 8.240 nan 0.000 0.548 771 T N 2.478 117.037 114.554 0.009 0.000 3.275 771 T HA 0.333 4.683 4.350 -0.000 0.000 0.298 771 T C 0.471 175.177 174.700 0.010 0.000 0.988 771 T CA -0.501 61.603 62.100 0.008 0.000 0.936 771 T CB -0.398 68.471 68.868 0.002 0.000 1.159 771 T HN 0.476 nan 8.240 nan 0.000 0.519 772 L N 3.569 124.802 121.223 0.016 0.000 2.499 772 L HA 0.324 4.664 4.340 -0.000 0.000 0.273 772 L C 1.112 177.995 176.870 0.021 0.000 1.195 772 L CA -0.351 54.502 54.840 0.021 0.000 0.882 772 L CB 0.406 42.483 42.059 0.030 0.000 1.133 772 L HN 0.476 nan 8.230 nan 0.000 0.483 773 S N 0.880 116.592 115.700 0.020 0.000 2.669 773 S HA 0.186 4.655 4.470 -0.000 0.000 0.270 773 S C 0.618 175.233 174.600 0.024 0.000 1.225 773 S CA -0.899 57.312 58.200 0.018 0.000 0.991 773 S CB 1.456 64.663 63.200 0.012 0.000 0.987 773 S HN 0.583 nan 8.310 nan 0.000 0.552 774 D N 0.743 121.156 120.400 0.020 0.000 2.117 774 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 774 D C 1.414 177.731 176.300 0.028 0.000 0.987 774 D CA 1.718 55.731 54.000 0.022 0.000 0.829 774 D CB -0.562 40.247 40.800 0.015 0.000 0.961 774 D HN 0.834 nan 8.370 nan 0.000 0.460 775 D N 0.566 120.982 120.400 0.026 0.000 2.123 775 D HA -0.163 4.476 4.640 -0.000 0.000 0.196 775 D C 1.995 178.329 176.300 0.057 0.000 0.992 775 D CA 1.205 55.224 54.000 0.033 0.000 0.833 775 D CB 0.099 40.908 40.800 0.016 0.000 0.954 775 D HN 0.145 nan 8.370 nan 0.000 0.455 776 Q N -0.381 119.449 119.800 0.051 0.000 2.124 776 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 776 Q C 2.269 178.330 176.000 0.102 0.000 0.977 776 Q CA 1.312 57.162 55.803 0.078 0.000 0.850 776 Q CB -0.163 28.605 28.738 0.050 0.000 0.901 776 Q HN 0.389 nan 8.270 nan 0.000 0.429 777 A N 1.188 124.048 122.820 0.067 0.000 1.930 777 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 777 A C 1.958 179.571 177.584 0.049 0.000 1.175 777 A CA 1.141 53.211 52.037 0.055 0.000 0.627 777 A CB -0.298 18.726 19.000 0.041 0.000 0.815 777 A HN 0.194 nan 8.150 nan 0.000 0.443 778 R N -1.753 118.779 120.500 0.053 0.000 2.148 778 R HA -0.105 4.235 4.340 -0.000 0.000 0.223 778 R C 2.144 178.478 176.300 0.057 0.000 1.088 778 R CA 1.313 57.437 56.100 0.040 0.000 0.985 778 R CB -0.415 29.907 30.300 0.037 0.000 0.880 778 R HN 0.793 nan 8.270 nan 0.000 0.451 779 H N 1.088 120.162 119.070 0.008 0.000 2.389 779 H HA -0.005 4.551 4.556 -0.000 0.000 0.299 779 H C 1.786 177.126 175.328 0.019 0.000 1.081 779 H CA 1.403 57.460 56.048 0.014 0.000 1.345 779 H CB -0.099 29.676 29.762 0.021 0.000 1.393 779 H HN 0.050 nan 8.280 nan 0.000 0.520 780 L N -0.387 120.793 121.223 -0.071 0.000 2.141 780 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 780 L C 2.775 179.575 176.870 -0.117 0.000 1.094 780 L CA 0.917 55.690 54.840 -0.112 0.000 0.763 780 L CB -0.688 41.369 42.059 -0.003 0.000 0.908 780 L HN 0.414 nan 8.230 nan 0.000 0.437 781 A N -0.139 122.633 122.820 -0.080 0.000 1.930 781 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 781 A C 1.901 179.398 177.584 -0.145 0.000 1.175 781 A CA 1.762 53.748 52.037 -0.085 0.000 0.627 781 A CB -0.406 18.562 19.000 -0.053 0.000 0.815 781 A HN 0.312 nan 8.150 nan 0.000 0.443 782 D N 0.106 120.414 120.400 -0.154 0.000 2.117 782 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 782 D C 1.889 178.068 176.300 -0.201 0.000 0.987 782 D CA 1.014 54.912 54.000 -0.170 0.000 0.829 782 D CB -0.312 40.426 40.800 -0.103 0.000 0.961 782 D HN 0.443 nan 8.370 nan 0.000 0.460 783 L N 0.415 121.496 121.223 -0.236 0.000 2.141 783 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 783 L C 2.395 179.174 176.870 -0.152 0.000 1.094 783 L CA 1.005 55.734 54.840 -0.186 0.000 0.763 783 L CB -0.393 41.554 42.059 -0.187 0.000 0.908 783 L HN 0.033 nan 8.230 nan 0.000 0.437 784 T N -0.944 113.524 114.554 -0.144 0.000 2.770 784 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 784 T C 2.035 176.649 174.700 -0.143 0.000 1.039 784 T CA 0.959 62.994 62.100 -0.108 0.000 1.142 784 T CB -0.101 68.725 68.868 -0.069 0.000 0.868 784 T HN 0.256 nan 8.240 nan 0.000 0.435 785 R N 0.388 120.730 120.500 -0.263 0.000 2.083 785 R HA -0.033 4.307 4.340 -0.000 0.000 0.237 785 R C 2.419 178.471 176.300 -0.412 0.000 1.137 785 R CA 1.075 56.853 56.100 -0.537 0.000 0.951 785 R CB -0.695 28.938 30.300 -1.111 0.000 0.851 785 R HN 0.221 nan 8.270 nan 0.000 0.434 786 L N 0.553 121.590 121.223 -0.309 0.000 2.042 786 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 786 L C 2.110 178.861 176.870 -0.199 0.000 1.076 786 L CA 2.182 56.893 54.840 -0.215 0.000 0.749 786 L CB -0.942 41.046 42.059 -0.118 0.000 0.893 786 L HN 0.200 nan 8.230 nan 0.000 0.432 787 G N -0.960 107.750 108.800 -0.151 0.000 2.408 787 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.217 787 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.217 787 G C 1.525 176.376 174.900 -0.083 0.000 1.150 787 G CA 0.877 45.907 45.100 -0.117 0.000 0.776 787 G HN 0.429 nan 8.290 nan 0.000 0.542 788 M N 0.760 120.340 119.600 -0.033 0.000 2.460 788 M HA 0.088 4.568 4.480 -0.000 0.000 0.263 788 M C 2.402 178.698 176.300 -0.006 0.000 1.071 788 M CA 0.969 56.291 55.300 0.036 0.000 1.096 788 M CB 0.142 32.836 32.600 0.157 0.000 1.408 788 M HN 0.291 nan 8.290 nan 0.000 0.463 789 A N -0.336 122.417 122.820 -0.112 0.000 2.379 789 A HA 0.496 4.816 4.320 -0.000 0.000 0.236 789 A C 1.450 178.853 177.584 -0.302 0.000 1.272 789 A CA 0.505 52.339 52.037 -0.339 0.000 0.886 789 A CB -0.489 17.921 19.000 -0.983 0.000 0.962 789 A HN 0.604 nan 8.150 nan 0.000 0.504 790 G N -0.220 108.468 108.800 -0.188 0.000 2.157 790 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.239 790 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.239 790 G C 0.309 175.094 174.900 -0.191 0.000 0.982 790 G CA 0.390 45.397 45.100 -0.155 0.000 0.650 790 G HN 1.228 nan 8.290 nan 0.000 0.527 791 N N -1.014 117.556 118.700 -0.216 0.000 2.714 791 N HA -0.165 4.575 4.740 -0.000 0.000 0.252 791 N C 0.323 175.682 175.510 -0.253 0.000 1.014 791 N CA 1.283 54.183 53.050 -0.251 0.000 0.735 791 N CB -1.153 37.123 38.487 -0.352 0.000 0.924 791 N HN 0.815 nan 8.380 nan 0.000 0.540 792 L N -0.270 120.879 121.223 -0.122 0.000 2.371 792 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 792 L C 1.805 178.697 176.870 0.037 0.000 1.124 792 L CA -0.035 54.788 54.840 -0.028 0.000 0.816 792 L CB 0.815 42.916 42.059 0.070 0.000 1.129 792 L HN 0.264 nan 8.230 nan 0.000 0.448 793 A N 1.591 124.436 122.820 0.043 0.000 1.933 793 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 793 A C 1.376 179.017 177.584 0.096 0.000 1.175 793 A CA 1.494 53.578 52.037 0.078 0.000 0.628 793 A CB -0.261 18.793 19.000 0.091 0.000 0.814 793 A HN 0.835 nan 8.150 nan 0.000 0.444 794 D N -1.970 118.491 120.400 0.102 0.000 2.349 794 D HA 0.169 4.808 4.640 -0.000 0.000 0.214 794 D C 0.029 176.395 176.300 0.110 0.000 1.063 794 D CA -0.279 53.775 54.000 0.090 0.000 0.847 794 D CB -0.191 40.649 40.800 0.067 0.000 0.933 794 D HN 0.405 nan 8.370 nan 0.000 0.513 795 F N 1.739 121.703 119.950 0.024 0.000 2.538 795 F HA 0.096 4.623 4.527 -0.000 0.000 0.371 795 F C 0.084 175.910 175.800 0.042 0.000 1.087 795 F CA -0.266 57.757 58.000 0.037 0.000 1.250 795 F CB 0.652 39.680 39.000 0.046 0.000 1.110 795 F HN -0.346 nan 8.300 nan 0.000 0.570 796 V N 7.646 127.188 119.914 -0.620 0.000 2.394 796 V HA 0.454 4.573 4.120 -0.000 0.000 0.282 796 V C -0.330 175.529 176.094 -0.392 0.000 1.031 796 V CA -0.572 61.509 62.300 -0.364 0.000 0.881 796 V CB 0.898 32.564 31.823 -0.262 0.000 0.982 796 V HN 0.711 nan 8.190 nan 0.000 0.451 797 L N 3.690 124.871 121.223 -0.069 0.000 2.322 797 L HA 0.816 5.155 4.340 -0.000 0.000 0.252 797 L C -0.933 175.957 176.870 0.034 0.000 1.055 797 L CA -1.022 53.849 54.840 0.051 0.000 0.849 797 L CB 1.420 43.602 42.059 0.206 0.000 1.446 797 L HN 0.285 nan 8.230 nan 0.000 0.416 798 I N 2.290 122.888 120.570 0.046 0.000 2.315 798 I HA 0.412 4.582 4.170 -0.000 0.000 0.291 798 I C -0.097 176.033 176.117 0.021 0.000 1.006 798 I CA 0.082 61.399 61.300 0.029 0.000 1.265 798 I CB 0.790 38.809 38.000 0.032 0.000 1.387 798 I HN 0.837 nan 8.210 nan 0.000 0.475 799 D N 6.026 126.440 120.400 0.023 0.000 2.447 799 D HA 0.115 4.755 4.640 -0.000 0.000 0.265 799 D C 1.048 177.362 176.300 0.024 0.000 1.250 799 D CA -0.541 53.474 54.000 0.025 0.000 1.046 799 D CB 0.527 41.355 40.800 0.047 0.000 1.095 799 D HN 0.556 nan 8.370 nan 0.000 0.555 800 K N -0.742 119.679 120.400 0.035 0.000 2.218 800 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 800 K C 0.283 176.899 176.600 0.026 0.000 1.046 800 K CA 1.563 57.870 56.287 0.033 0.000 0.933 800 K CB -0.293 32.240 32.500 0.055 0.000 0.728 800 K HN 0.294 nan 8.250 nan 0.000 0.454 801 D N -0.084 120.331 120.400 0.026 0.000 2.349 801 D HA 0.075 4.715 4.640 -0.000 0.000 0.214 801 D C 0.947 177.255 176.300 0.014 0.000 1.063 801 D CA 0.831 54.842 54.000 0.018 0.000 0.847 801 D CB 0.883 41.693 40.800 0.016 0.000 0.933 801 D HN 0.556 nan 8.370 nan 0.000 0.513 802 G N 0.905 109.714 108.800 0.015 0.000 2.176 802 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 802 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 802 G C 0.534 175.440 174.900 0.011 0.000 0.979 802 G CA 0.142 45.249 45.100 0.012 0.000 0.641 802 G HN 0.595 nan 8.290 nan 0.000 0.530 803 A N -0.177 122.652 122.820 0.014 0.000 2.340 803 A HA 0.725 5.044 4.320 -0.000 0.000 0.268 803 A C 0.606 178.198 177.584 0.014 0.000 1.100 803 A CA 0.109 52.154 52.037 0.013 0.000 0.803 803 A CB 1.119 20.129 19.000 0.016 0.000 1.043 803 A HN 1.130 nan 8.150 nan 0.000 0.488 804 V N 3.816 123.734 119.914 0.008 0.000 2.455 804 V HA 0.286 4.406 4.120 -0.000 0.000 0.273 804 V C 0.090 176.189 176.094 0.009 0.000 1.045 804 V CA 0.052 62.353 62.300 0.002 0.000 0.976 804 V CB 0.388 32.206 31.823 -0.007 0.000 0.993 804 V HN 0.813 nan 8.190 nan 0.000 0.475 805 K N 4.670 125.078 120.400 0.013 0.000 2.469 805 K HA 0.576 4.895 4.320 -0.000 0.000 0.254 805 K C -0.609 176.010 176.600 0.032 0.000 0.939 805 K CA -0.885 55.419 56.287 0.028 0.000 0.812 805 K CB 2.913 35.441 32.500 0.046 0.000 1.301 805 K HN 0.522 nan 8.250 nan 0.000 0.433 806 R N -0.354 120.170 120.500 0.040 0.000 2.528 806 R HA 0.234 4.574 4.340 -0.000 0.000 0.271 806 R C 1.613 177.968 176.300 0.091 0.000 1.056 806 R CA 0.116 56.249 56.100 0.054 0.000 1.117 806 R CB 0.579 30.908 30.300 0.048 0.000 1.085 806 R HN 0.887 nan 8.270 nan 0.000 0.530 807 G N 0.208 109.086 108.800 0.130 0.000 2.469 807 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 807 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 807 G C 1.308 176.268 174.900 0.099 0.000 1.136 807 G CA 1.255 46.430 45.100 0.124 0.000 0.759 807 G HN 0.664 nan 8.290 nan 0.000 0.562 808 S N 0.193 115.952 115.700 0.097 0.000 2.507 808 S HA -0.003 4.467 4.470 -0.000 0.000 0.235 808 S C 1.754 176.415 174.600 0.100 0.000 0.988 808 S CA 1.390 59.653 58.200 0.104 0.000 0.944 808 S CB -0.099 63.158 63.200 0.096 0.000 0.762 808 S HN 0.615 nan 8.310 nan 0.000 0.526 809 E N 0.272 120.526 120.200 0.090 0.000 2.447 809 E HA 0.190 4.539 4.350 -0.000 0.000 0.195 809 E C -0.259 176.402 176.600 0.101 0.000 1.028 809 E CA -0.108 56.342 56.400 0.083 0.000 0.876 809 E CB 0.171 29.910 29.700 0.064 0.000 0.885 809 E HN 0.465 nan 8.360 nan 0.000 0.500 810 I N 2.663 123.304 120.570 0.117 0.000 2.379 810 I HA 0.053 4.223 4.170 -0.000 0.000 0.290 810 I C 0.205 176.446 176.117 0.207 0.000 1.063 810 I CA -0.341 61.051 61.300 0.154 0.000 1.351 810 I CB 0.141 38.208 38.000 0.111 0.000 1.410 810 I HN -0.055 nan 8.210 nan 0.000 0.505 811 D N 6.107 126.658 120.400 0.253 0.000 2.389 811 D HA 0.025 4.665 4.640 -0.000 0.000 0.247 811 D C -0.924 175.598 176.300 0.371 0.000 1.128 811 D CA 0.278 54.422 54.000 0.241 0.000 0.884 811 D CB 0.508 41.374 40.800 0.110 0.000 1.194 811 D HN 0.364 nan 8.370 nan 0.000 0.441 812 Y N 4.205 124.605 120.300 0.167 0.000 2.646 812 Y HA 0.271 4.821 4.550 -0.000 0.000 0.334 812 Y C -0.415 175.557 175.900 0.121 0.000 1.004 812 Y CA -1.067 57.131 58.100 0.164 0.000 1.301 812 Y CB -0.171 38.376 38.460 0.144 0.000 1.093 812 Y HN 0.472 nan 8.280 nan 0.000 0.530 813 N N 4.257 122.801 118.700 -0.260 0.000 2.716 813 N HA -0.224 4.516 4.740 -0.000 0.000 0.250 813 N C 1.049 176.475 175.510 -0.140 0.000 1.033 813 N CA 1.768 54.652 53.050 -0.277 0.000 0.727 813 N CB -1.180 37.013 38.487 -0.490 0.000 0.950 813 N HN 1.339 nan 8.380 nan 0.000 0.541 814 G N -2.777 105.994 108.800 -0.049 0.000 2.194 814 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.236 814 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.236 814 G C 0.106 175.028 174.900 0.037 0.000 0.987 814 G CA 0.611 45.703 45.100 -0.014 0.000 0.635 814 G HN 1.156 nan 8.290 nan 0.000 0.520 815 A N 0.764 123.637 122.820 0.088 0.000 2.356 815 A HA 0.895 5.215 4.320 -0.000 0.000 0.323 815 A C -2.503 175.198 177.584 0.196 0.000 1.119 815 A CA -1.453 50.671 52.037 0.145 0.000 0.790 815 A CB 1.628 20.742 19.000 0.190 0.000 1.273 815 A HN 0.176 nan 8.150 nan 0.000 0.452 816 P HA 0.061 nan 4.420 nan 0.000 0.267 816 P C 0.940 178.377 177.300 0.228 0.000 1.209 816 P CA 0.694 63.900 63.100 0.176 0.000 0.763 816 P CB 0.868 32.656 31.700 0.146 0.000 0.816 817 G N 3.866 112.793 108.800 0.212 0.000 2.524 817 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.215 817 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.215 817 G C 0.824 175.800 174.900 0.126 0.000 1.239 817 G CA 0.566 45.777 45.100 0.185 0.000 0.798 817 G HN 0.697 nan 8.290 nan 0.000 0.557 818 G N -0.636 108.210 108.800 0.077 0.000 2.364 818 G HA2 0.406 4.366 3.960 -0.000 0.000 0.267 818 G HA3 0.406 4.366 3.960 -0.000 0.000 0.267 818 G C 0.118 175.063 174.900 0.074 0.000 1.233 818 G CA 0.249 45.344 45.100 -0.009 0.000 0.885 818 G HN 0.617 nan 8.290 nan 0.000 0.490 819 Y N 0.335 120.666 120.300 0.052 0.000 2.448 819 Y HA 0.669 5.219 4.550 -0.000 0.000 0.257 819 Y C 0.983 176.910 175.900 0.046 0.000 1.089 819 Y CA -0.558 57.575 58.100 0.054 0.000 1.245 819 Y CB -0.336 38.158 38.460 0.057 0.000 1.282 819 Y HN 0.617 nan 8.280 nan 0.000 0.529 820 A N 1.107 123.865 122.820 -0.103 0.000 2.264 820 A HA 0.799 5.119 4.320 -0.000 0.000 0.304 820 A C 1.226 178.831 177.584 0.035 0.000 1.100 820 A CA -0.009 52.036 52.037 0.013 0.000 0.839 820 A CB 0.727 19.648 19.000 -0.133 0.000 1.121 820 A HN 0.621 nan 8.150 nan 0.000 0.496 821 A N -0.215 122.641 122.820 0.060 0.000 1.973 821 A HA 0.321 4.641 4.320 -0.000 0.000 0.210 821 A C 0.382 177.993 177.584 0.045 0.000 1.200 821 A CA 0.758 52.830 52.037 0.059 0.000 0.707 821 A CB 0.109 19.150 19.000 0.069 0.000 0.862 821 A HN 0.741 nan 8.150 nan 0.000 0.461 822 D N -1.475 118.947 120.400 0.036 0.000 2.601 822 D HA 0.300 4.940 4.640 -0.000 0.000 0.230 822 D C -2.198 174.099 176.300 -0.004 0.000 1.106 822 D CA -1.264 52.751 54.000 0.025 0.000 0.873 822 D CB 1.930 42.755 40.800 0.040 0.000 1.515 822 D HN -0.114 nan 8.370 nan 0.000 0.468 823 P HA -0.129 nan 4.420 nan 0.000 0.222 823 P C 1.060 178.330 177.300 -0.049 0.000 1.147 823 P CA 1.200 64.269 63.100 -0.051 0.000 0.790 823 P CB -0.029 31.640 31.700 -0.052 0.000 0.780 824 T N -3.238 111.300 114.554 -0.028 0.000 3.163 824 T HA 0.025 4.374 4.350 -0.000 0.000 0.260 824 T C 1.350 176.076 174.700 0.044 0.000 1.156 824 T CA 0.581 62.661 62.100 -0.034 0.000 1.072 824 T CB -0.620 68.234 68.868 -0.023 0.000 0.937 824 T HN 0.247 nan 8.240 nan 0.000 0.528 825 E N 0.248 120.474 120.200 0.043 0.000 2.481 825 E HA 0.248 4.598 4.350 -0.000 0.000 0.198 825 E C -0.509 176.133 176.600 0.071 0.000 1.027 825 E CA -0.175 56.272 56.400 0.080 0.000 0.900 825 E CB 0.783 30.536 29.700 0.088 0.000 0.993 825 E HN 0.317 nan 8.360 nan 0.000 0.482 826 V N 1.603 121.516 119.914 -0.002 0.000 2.487 826 V HA 0.235 4.355 4.120 -0.000 0.000 0.298 826 V C -0.385 175.667 176.094 -0.070 0.000 1.028 826 V CA -0.796 61.489 62.300 -0.026 0.000 0.860 826 V CB 2.094 33.849 31.823 -0.114 0.000 0.991 826 V HN -0.182 nan 8.190 nan 0.000 0.427 827 V N 5.192 125.054 119.914 -0.087 0.000 2.313 827 V HA 0.428 4.548 4.120 -0.000 0.000 0.278 827 V C 0.014 176.159 176.094 0.085 0.000 1.017 827 V CA -0.781 61.422 62.300 -0.162 0.000 0.823 827 V CB 1.328 32.798 31.823 -0.588 0.000 1.010 827 V HN 0.814 nan 8.190 nan 0.000 0.443 828 N N 4.162 122.947 118.700 0.141 0.000 2.524 828 N HA 0.617 5.356 4.740 -0.000 0.000 0.283 828 N C -0.848 174.939 175.510 0.462 0.000 1.142 828 N CA -0.097 53.107 53.050 0.257 0.000 0.984 828 N CB 1.838 40.395 38.487 0.116 0.000 1.155 828 N HN 0.741 nan 8.380 nan 0.000 0.467 829 Y N -3.004 117.414 120.300 0.198 0.000 2.662 829 Y HA 0.395 4.945 4.550 -0.000 0.000 0.334 829 Y C -0.311 175.716 175.900 0.212 0.000 1.185 829 Y CA -1.157 57.110 58.100 0.279 0.000 1.074 829 Y CB 0.230 38.963 38.460 0.456 0.000 1.330 829 Y HN 0.103 nan 8.280 nan 0.000 0.458 830 V N -1.631 118.405 119.914 0.202 0.000 3.330 830 V HA 0.590 4.710 4.120 -0.000 0.000 0.309 830 V C -0.055 176.133 176.094 0.156 0.000 1.481 830 V CA 0.547 62.883 62.300 0.060 0.000 1.068 830 V CB 0.158 32.032 31.823 0.084 0.000 0.935 830 V HN 0.824 nan 8.190 nan 0.000 0.453 831 S N 0.243 116.150 115.700 0.345 0.000 2.543 831 S HA 0.710 5.180 4.470 -0.000 0.000 0.274 831 S C -1.243 173.664 174.600 0.511 0.000 1.149 831 S CA -0.552 57.852 58.200 0.340 0.000 0.866 831 S CB 2.400 65.749 63.200 0.249 0.000 1.111 831 S HN 0.644 nan 8.310 nan 0.000 0.457 832 K N 0.858 121.483 120.400 0.375 0.000 2.617 832 K HA 0.350 4.670 4.320 -0.000 0.000 0.293 832 K C 1.061 177.740 176.600 0.131 0.000 1.034 832 K CA -0.659 55.832 56.287 0.341 0.000 0.884 832 K CB 0.433 33.093 32.500 0.266 0.000 1.541 832 K HN 0.859 nan 8.250 nan 0.000 0.409 833 H N -0.314 118.777 119.070 0.035 0.000 2.387 833 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 833 H C -0.410 174.892 175.328 -0.043 0.000 1.099 833 H CA 1.025 56.993 56.048 -0.134 0.000 1.315 833 H CB 0.038 29.454 29.762 -0.576 0.000 1.380 833 H HN 0.365 nan 8.280 nan 0.000 0.513 834 D N 2.103 122.079 120.400 -0.708 0.000 2.341 834 D HA 0.108 4.748 4.640 -0.000 0.000 0.245 834 D C 0.458 176.761 176.300 0.005 0.000 1.106 834 D CA 0.004 53.843 54.000 -0.267 0.000 0.905 834 D CB 0.635 41.185 40.800 -0.416 0.000 1.202 834 D HN 0.329 nan 8.370 nan 0.000 0.426 835 N N 0.782 119.544 118.700 0.104 0.000 6.535 835 N HA -0.218 4.522 4.740 -0.000 0.000 0.409 835 N C -0.497 175.107 175.510 0.156 0.000 0.975 835 N CA 0.263 53.371 53.050 0.096 0.000 1.813 835 N CB -0.388 38.114 38.487 0.024 0.000 0.751 835 N HN 0.407 nan 8.380 nan 0.000 0.467 836 Q N 0.759 120.657 119.800 0.163 0.000 2.395 836 Q HA 0.231 4.571 4.340 -0.000 0.000 0.271 836 Q C 0.713 176.820 176.000 0.179 0.000 1.026 836 Q CA 0.315 56.240 55.803 0.203 0.000 0.900 836 Q CB 0.307 29.212 28.738 0.279 0.000 1.266 836 Q HN 0.593 nan 8.270 nan 0.000 0.430 837 T N -0.849 113.808 114.554 0.173 0.000 2.802 837 T HA 0.046 4.396 4.350 -0.000 0.000 0.305 837 T C 0.969 175.766 174.700 0.161 0.000 1.053 837 T CA -0.701 61.498 62.100 0.165 0.000 1.058 837 T CB 0.450 69.412 68.868 0.156 0.000 0.988 837 T HN 0.543 nan 8.240 nan 0.000 0.539 838 L N 1.145 122.469 121.223 0.168 0.000 2.042 838 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 838 L C 2.236 179.188 176.870 0.137 0.000 1.076 838 L CA 1.737 56.667 54.840 0.151 0.000 0.749 838 L CB -1.150 41.011 42.059 0.170 0.000 0.893 838 L HN 0.877 nan 8.230 nan 0.000 0.432 839 W N 0.441 121.738 121.300 -0.005 0.000 2.358 839 W HA -0.228 4.431 4.660 -0.000 0.000 0.303 839 W C 1.794 178.261 176.519 -0.087 0.000 1.208 839 W CA 1.724 59.027 57.345 -0.070 0.000 1.274 839 W CB -0.128 29.258 29.460 -0.123 0.000 1.138 839 W HN 0.284 nan 8.180 nan 0.000 0.515 840 D N 0.074 120.461 120.400 -0.022 0.000 2.178 840 D HA -0.195 4.445 4.640 -0.000 0.000 0.202 840 D C 2.285 178.587 176.300 0.004 0.000 0.974 840 D CA 1.401 55.300 54.000 -0.169 0.000 0.841 840 D CB -0.478 40.257 40.800 -0.109 0.000 0.953 840 D HN 0.097 nan 8.370 nan 0.000 0.478 841 M N -0.017 119.642 119.600 0.099 0.000 2.132 841 M HA -0.031 4.449 4.480 -0.000 0.000 0.263 841 M C 2.351 178.689 176.300 0.064 0.000 1.065 841 M CA 0.808 56.225 55.300 0.195 0.000 1.122 841 M CB -0.684 32.001 32.600 0.141 0.000 1.365 841 M HN 0.059 nan 8.290 nan 0.000 0.411 842 I N -0.258 120.237 120.570 -0.124 0.000 2.361 842 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 842 I C 2.271 178.194 176.117 -0.324 0.000 1.133 842 I CA 0.919 62.069 61.300 -0.251 0.000 1.413 842 I CB -0.288 37.473 38.000 -0.398 0.000 1.073 842 I HN 0.224 nan 8.210 nan 0.000 0.424 843 S N -0.380 115.062 115.700 -0.431 0.000 2.402 843 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 843 S C 1.873 176.511 174.600 0.064 0.000 1.021 843 S CA 1.006 59.030 58.200 -0.293 0.000 0.974 843 S CB -0.250 62.762 63.200 -0.315 0.000 0.800 843 S HN 0.342 nan 8.310 nan 0.000 0.484 844 Y N 1.749 122.127 120.300 0.129 0.000 2.314 844 Y HA 0.057 4.607 4.550 -0.000 0.000 0.293 844 Y C 2.130 178.032 175.900 0.004 0.000 1.129 844 Y CA 0.705 58.856 58.100 0.085 0.000 1.201 844 Y CB -0.047 38.468 38.460 0.091 0.000 0.999 844 Y HN 0.196 nan 8.280 nan 0.000 0.541 845 K N -0.701 119.786 120.400 0.146 0.000 2.348 845 K HA 0.333 4.653 4.320 -0.000 0.000 0.194 845 K C 0.816 177.418 176.600 0.003 0.000 1.052 845 K CA 0.377 56.699 56.287 0.057 0.000 1.004 845 K CB 0.214 32.740 32.500 0.045 0.000 0.873 845 K HN 0.005 nan 8.250 nan 0.000 0.523 846 A N 2.011 124.799 122.820 -0.052 0.000 2.511 846 A HA 0.395 4.715 4.320 -0.000 0.000 0.242 846 A C 0.321 177.879 177.584 -0.043 0.000 1.069 846 A CA -0.151 51.833 52.037 -0.089 0.000 0.763 846 A CB -0.025 18.866 19.000 -0.182 0.000 1.001 846 A HN 0.331 nan 8.150 nan 0.000 0.498 847 A N 1.904 124.708 122.820 -0.027 0.000 2.483 847 A HA 0.248 4.567 4.320 -0.000 0.000 0.238 847 A C 1.084 178.661 177.584 -0.010 0.000 1.070 847 A CA 0.365 52.402 52.037 -0.000 0.000 0.770 847 A CB -0.050 18.964 19.000 0.023 0.000 1.008 847 A HN 0.955 nan 8.150 nan 0.000 0.497 848 Q N 0.553 120.356 119.800 0.005 0.000 2.135 848 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 848 Q C 1.614 177.617 176.000 0.004 0.000 0.981 848 Q CA 1.732 57.538 55.803 0.006 0.000 0.856 848 Q CB -0.109 28.638 28.738 0.015 0.000 0.902 848 Q HN 0.965 nan 8.270 nan 0.000 0.425 849 E N 0.683 120.889 120.200 0.011 0.000 2.482 849 E HA 0.015 4.364 4.350 -0.000 0.000 0.196 849 E C 0.011 176.615 176.600 0.007 0.000 1.047 849 E CA 0.405 56.815 56.400 0.017 0.000 0.869 849 E CB 0.075 29.794 29.700 0.031 0.000 0.836 849 E HN 0.161 nan 8.360 nan 0.000 0.520 850 A N 3.138 125.946 122.820 -0.020 0.000 2.410 850 A HA 0.150 4.470 4.320 -0.000 0.000 0.292 850 A C -0.195 177.351 177.584 -0.064 0.000 1.232 850 A CA -0.376 51.622 52.037 -0.065 0.000 0.893 850 A CB -0.146 18.769 19.000 -0.142 0.000 1.131 850 A HN 0.334 nan 8.150 nan 0.000 0.530 851 D N 2.138 122.515 120.400 -0.038 0.000 2.393 851 D HA 0.085 4.725 4.640 -0.000 0.000 0.246 851 D C 1.076 177.364 176.300 -0.020 0.000 1.275 851 D CA -0.667 53.323 54.000 -0.017 0.000 0.979 851 D CB 0.261 41.066 40.800 0.007 0.000 1.101 851 D HN 0.205 nan 8.370 nan 0.000 0.505 852 L N 0.054 121.285 121.223 0.013 0.000 2.012 852 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 852 L C 1.685 178.590 176.870 0.059 0.000 1.073 852 L CA 2.321 57.192 54.840 0.051 0.000 0.748 852 L CB -1.228 40.858 42.059 0.045 0.000 0.891 852 L HN 0.699 nan 8.230 nan 0.000 0.431 853 D N -1.984 118.440 120.400 0.041 0.000 2.123 853 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 853 D C 1.894 178.221 176.300 0.044 0.000 0.992 853 D CA 1.720 55.757 54.000 0.061 0.000 0.833 853 D CB 0.038 40.876 40.800 0.064 0.000 0.954 853 D HN 0.398 nan 8.370 nan 0.000 0.455 854 T N -0.487 114.047 114.554 -0.033 0.000 2.821 854 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 854 T C 1.918 176.451 174.700 -0.278 0.000 1.046 854 T CA 0.868 62.853 62.100 -0.191 0.000 1.139 854 T CB -0.123 68.587 68.868 -0.264 0.000 0.871 854 T HN 0.188 nan 8.240 nan 0.000 0.454 855 R N 0.387 120.794 120.500 -0.154 0.000 2.115 855 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 855 R C 2.420 178.775 176.300 0.092 0.000 1.111 855 R CA 0.763 56.780 56.100 -0.138 0.000 0.976 855 R CB -0.510 29.700 30.300 -0.152 0.000 0.870 855 R HN 0.254 nan 8.270 nan 0.000 0.445 856 V N 0.984 121.015 119.914 0.196 0.000 2.358 856 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 856 V C 2.209 178.441 176.094 0.229 0.000 1.047 856 V CA 1.663 64.126 62.300 0.271 0.000 1.035 856 V CB -0.437 31.524 31.823 0.229 0.000 0.658 856 V HN 0.277 nan 8.190 nan 0.000 0.452 857 R N -0.666 119.909 120.500 0.125 0.000 2.115 857 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 857 R C 2.309 178.604 176.300 -0.008 0.000 1.111 857 R CA 1.375 57.487 56.100 0.020 0.000 0.976 857 R CB -0.325 29.998 30.300 0.038 0.000 0.870 857 R HN 0.446 nan 8.270 nan 0.000 0.445 858 M N 0.085 119.611 119.600 -0.124 0.000 2.159 858 M HA -0.206 4.274 4.480 -0.000 0.000 0.263 858 M C 2.400 178.710 176.300 0.016 0.000 1.063 858 M CA 1.599 56.814 55.300 -0.141 0.000 1.110 858 M CB -0.127 32.262 32.600 -0.351 0.000 1.374 858 M HN 0.080 nan 8.290 nan 0.000 0.411 859 Q N 0.531 120.380 119.800 0.081 0.000 2.084 859 Q HA -0.132 4.207 4.340 -0.000 0.000 0.202 859 Q C 1.958 178.050 176.000 0.153 0.000 0.978 859 Q CA 2.219 58.119 55.803 0.162 0.000 0.844 859 Q CB -0.156 28.749 28.738 0.278 0.000 0.898 859 Q HN 0.485 nan 8.270 nan 0.000 0.426 860 A N -0.524 122.375 122.820 0.131 0.000 1.898 860 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 860 A C 2.260 179.857 177.584 0.022 0.000 1.181 860 A CA 1.428 53.509 52.037 0.072 0.000 0.620 860 A CB -0.759 18.182 19.000 -0.098 0.000 0.819 860 A HN 0.296 nan 8.150 nan 0.000 0.442 861 V N 0.018 119.954 119.914 0.037 0.000 2.343 861 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 861 V C 2.809 178.951 176.094 0.080 0.000 1.051 861 V CA 2.323 64.667 62.300 0.073 0.000 1.036 861 V CB -0.679 31.260 31.823 0.192 0.000 0.654 861 V HN 0.574 nan 8.190 nan 0.000 0.451 862 S N 0.084 115.839 115.700 0.092 0.000 2.356 862 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 862 S C 1.870 176.516 174.600 0.076 0.000 1.032 862 S CA 1.502 59.754 58.200 0.086 0.000 1.005 862 S CB -0.359 62.894 63.200 0.090 0.000 0.867 862 S HN 0.471 nan 8.310 nan 0.000 0.449 863 L N 1.126 122.400 121.223 0.085 0.000 2.201 863 L HA -0.057 4.282 4.340 -0.000 0.000 0.212 863 L C 2.651 179.522 176.870 0.002 0.000 1.105 863 L CA 0.854 55.734 54.840 0.067 0.000 0.775 863 L CB -0.589 41.529 42.059 0.098 0.000 0.913 863 L HN 0.311 nan 8.230 nan 0.000 0.440 864 A N 0.198 123.016 122.820 -0.004 0.000 1.972 864 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 864 A C 2.460 180.038 177.584 -0.010 0.000 1.169 864 A CA 2.136 54.155 52.037 -0.031 0.000 0.635 864 A CB -0.941 18.045 19.000 -0.024 0.000 0.810 864 A HN 0.517 nan 8.150 nan 0.000 0.446 865 T N -2.867 111.699 114.554 0.019 0.000 2.881 865 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 865 T C 1.615 176.329 174.700 0.024 0.000 1.068 865 T CA 1.573 63.691 62.100 0.030 0.000 1.131 865 T CB -0.481 68.407 68.868 0.033 0.000 0.871 865 T HN 0.082 nan 8.240 nan 0.000 0.479 866 V N 1.179 121.107 119.914 0.024 0.000 2.341 866 V HA 0.032 4.152 4.120 -0.000 0.000 0.240 866 V C 2.804 178.893 176.094 -0.009 0.000 1.035 866 V CA 1.152 63.472 62.300 0.034 0.000 1.033 866 V CB -0.476 31.397 31.823 0.083 0.000 0.678 866 V HN 0.334 nan 8.190 nan 0.000 0.464 867 M N -0.162 119.404 119.600 -0.058 0.000 2.213 867 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 867 M C 1.828 178.036 176.300 -0.154 0.000 1.062 867 M CA 1.726 56.949 55.300 -0.128 0.000 1.105 867 M CB -0.920 31.555 32.600 -0.208 0.000 1.385 867 M HN 0.266 nan 8.290 nan 0.000 0.417 868 L N -0.981 120.176 121.223 -0.110 0.000 2.628 868 L HA 0.241 4.581 4.340 -0.000 0.000 0.229 868 L C 1.131 178.039 176.870 0.063 0.000 1.137 868 L CA -0.585 54.201 54.840 -0.091 0.000 0.909 868 L CB -0.531 41.497 42.059 -0.052 0.000 1.137 868 L HN 0.148 nan 8.230 nan 0.000 0.470 869 G N -1.078 107.740 108.800 0.029 0.000 2.502 869 G HA2 0.225 4.184 3.960 -0.000 0.000 0.305 869 G HA3 0.225 4.184 3.960 -0.000 0.000 0.305 869 G C 0.409 175.327 174.900 0.030 0.000 1.190 869 G CA -0.281 44.844 45.100 0.041 0.000 0.933 869 G HN -0.033 nan 8.290 nan 0.000 0.503 870 Q N -0.116 119.685 119.800 0.003 0.000 2.311 870 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 870 Q C 1.613 177.589 176.000 -0.040 0.000 0.954 870 Q CA 0.555 56.349 55.803 -0.015 0.000 0.885 870 Q CB -0.127 28.583 28.738 -0.046 0.000 0.963 870 Q HN 0.536 nan 8.270 nan 0.000 0.471 871 G N 0.827 109.598 108.800 -0.049 0.000 2.606 871 G HA2 0.308 4.268 3.960 -0.000 0.000 0.252 871 G HA3 0.308 4.268 3.960 -0.000 0.000 0.252 871 G C -0.003 174.856 174.900 -0.069 0.000 1.206 871 G CA -0.619 44.444 45.100 -0.063 0.000 0.861 871 G HN 0.129 nan 8.290 nan 0.000 0.561 872 I N 0.799 121.304 120.570 -0.109 0.000 2.752 872 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 872 I C 1.071 177.143 176.117 -0.075 0.000 1.188 872 I CA 0.099 61.306 61.300 -0.155 0.000 1.427 872 I CB 0.856 38.691 38.000 -0.276 0.000 1.365 872 I HN 0.462 nan 8.210 nan 0.000 0.585 873 A N 7.469 130.254 122.820 -0.058 0.000 2.274 873 A HA 0.584 4.904 4.320 -0.000 0.000 0.309 873 A C -0.898 176.759 177.584 0.123 0.000 1.226 873 A CA -0.235 51.824 52.037 0.035 0.000 0.853 873 A CB 0.430 19.423 19.000 -0.012 0.000 1.146 873 A HN 0.550 nan 8.150 nan 0.000 0.518 874 F N 2.098 122.087 119.950 0.065 0.000 2.565 874 F HA 0.689 5.216 4.527 -0.000 0.000 0.313 874 F C -1.009 174.925 175.800 0.224 0.000 1.091 874 F CA -0.686 57.389 58.000 0.125 0.000 0.915 874 F CB 2.075 41.154 39.000 0.130 0.000 1.208 874 F HN 0.593 nan 8.300 nan 0.000 0.453 875 D N 2.795 123.096 120.400 -0.164 0.000 2.609 875 D HA 0.176 4.816 4.640 -0.000 0.000 0.239 875 D C -1.739 174.417 176.300 -0.239 0.000 1.229 875 D CA -0.393 53.630 54.000 0.037 0.000 0.808 875 D CB 2.127 43.063 40.800 0.226 0.000 1.448 875 D HN 0.705 nan 8.370 nan 0.000 0.433 876 Q N 1.371 121.155 119.800 -0.027 0.000 2.327 876 Q HA 0.148 4.488 4.340 -0.000 0.000 0.254 876 Q C -0.296 175.551 176.000 -0.255 0.000 0.952 876 Q CA -0.459 55.289 55.803 -0.091 0.000 0.884 876 Q CB 0.934 29.718 28.738 0.076 0.000 1.224 876 Q HN 0.476 nan 8.270 nan 0.000 0.422 877 Q N 2.444 122.008 119.800 -0.394 0.000 2.263 877 Q HA 0.063 4.402 4.340 -0.000 0.000 0.289 877 Q C 0.325 176.230 176.000 -0.158 0.000 1.061 877 Q CA 1.352 56.846 55.803 -0.515 0.000 0.927 877 Q CB -0.033 28.585 28.738 -0.201 0.000 1.154 877 Q HN 1.018 nan 8.270 nan 0.000 0.378 878 G N 2.697 111.460 108.800 -0.062 0.000 2.194 878 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.236 878 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.236 878 G C 0.879 175.720 174.900 -0.097 0.000 0.987 878 G CA 0.314 45.364 45.100 -0.083 0.000 0.635 878 G HN 0.617 nan 8.290 nan 0.000 0.520 879 S N 1.015 116.678 115.700 -0.063 0.000 2.419 879 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 879 S C 2.096 176.657 174.600 -0.066 0.000 1.016 879 S CA 1.681 59.887 58.200 0.010 0.000 0.974 879 S CB -0.175 63.119 63.200 0.156 0.000 0.786 879 S HN 0.846 nan 8.310 nan 0.000 0.492 880 E N 1.323 121.324 120.200 -0.331 0.000 2.478 880 E HA -0.053 4.297 4.350 -0.000 0.000 0.198 880 E C 0.953 177.464 176.600 -0.147 0.000 1.046 880 E CA 0.628 56.797 56.400 -0.385 0.000 0.870 880 E CB -0.239 28.966 29.700 -0.825 0.000 0.818 880 E HN 0.472 nan 8.360 nan 0.000 0.527 881 L N 0.887 122.011 121.223 -0.165 0.000 3.066 881 L HA 0.291 4.631 4.340 -0.000 0.000 0.265 881 L C 0.321 177.020 176.870 -0.286 0.000 1.232 881 L CA -0.308 54.400 54.840 -0.221 0.000 1.031 881 L CB -0.013 41.868 42.059 -0.297 0.000 1.379 881 L HN -0.027 nan 8.230 nan 0.000 0.563 882 L N 0.234 121.322 121.223 -0.225 0.000 3.737 882 L HA -0.256 4.084 4.340 -0.000 0.000 0.418 882 L C 0.969 177.635 176.870 -0.339 0.000 1.216 882 L CA 0.249 54.898 54.840 -0.318 0.000 0.915 882 L CB -1.508 40.104 42.059 -0.745 0.000 1.834 882 L HN 0.468 nan 8.230 nan 0.000 0.943 883 R N 1.054 121.444 120.500 -0.184 0.000 2.494 883 R HA 0.157 4.496 4.340 -0.000 0.000 0.291 883 R C 0.441 176.716 176.300 -0.042 0.000 0.953 883 R CA 1.049 57.059 56.100 -0.149 0.000 1.098 883 R CB 0.591 30.835 30.300 -0.093 0.000 0.911 883 R HN 0.267 nan 8.270 nan 0.000 0.407 884 S N 2.557 118.212 115.700 -0.075 0.000 2.566 884 S HA 0.365 4.835 4.470 -0.000 0.000 0.298 884 S C -0.328 174.266 174.600 -0.010 0.000 1.083 884 S CA -0.857 57.366 58.200 0.038 0.000 0.978 884 S CB 1.522 64.806 63.200 0.140 0.000 1.073 884 S HN 0.726 nan 8.310 nan 0.000 0.491 885 K N 1.517 121.936 120.400 0.032 0.000 2.564 885 K HA 0.293 4.613 4.320 -0.000 0.000 0.205 885 K C 0.041 176.731 176.600 0.150 0.000 1.053 885 K CA -0.076 56.267 56.287 0.095 0.000 1.072 885 K CB 0.553 33.139 32.500 0.143 0.000 0.822 885 K HN 0.620 nan 8.250 nan 0.000 0.497 886 S N 0.345 116.041 115.700 -0.007 0.000 3.641 886 S HA -0.204 4.266 4.470 -0.000 0.000 0.346 886 S C 0.030 174.669 174.600 0.065 0.000 1.074 886 S CA 0.818 58.986 58.200 -0.054 0.000 1.026 886 S CB -1.163 62.179 63.200 0.236 0.000 0.908 886 S HN 0.589 nan 8.310 nan 0.000 0.479 887 F N -2.207 117.756 119.950 0.021 0.000 2.699 887 F HA -0.218 4.309 4.527 -0.000 0.000 0.343 887 F C 0.790 176.632 175.800 0.070 0.000 0.633 887 F CA 1.018 59.014 58.000 -0.006 0.000 1.365 887 F CB -2.591 36.346 39.000 -0.105 0.000 1.795 887 F HN 0.349 nan 8.300 nan 0.000 0.304 888 T N 1.302 115.961 114.554 0.176 0.000 2.867 888 T HA 0.109 4.459 4.350 -0.000 0.000 0.297 888 T C 1.411 176.202 174.700 0.151 0.000 0.989 888 T CA 0.200 62.351 62.100 0.084 0.000 1.159 888 T CB 1.624 70.464 68.868 -0.046 0.000 0.928 888 T HN 0.365 nan 8.240 nan 0.000 0.538 889 R N 1.842 122.427 120.500 0.141 0.000 2.066 889 R HA -0.008 4.332 4.340 -0.000 0.000 0.224 889 R C 0.144 176.546 176.300 0.169 0.000 1.122 889 R CA 0.886 57.078 56.100 0.155 0.000 0.974 889 R CB 0.268 30.636 30.300 0.114 0.000 0.871 889 R HN 0.542 nan 8.270 nan 0.000 0.435 890 D N 0.326 120.807 120.400 0.134 0.000 2.438 890 D HA 0.056 4.696 4.640 -0.000 0.000 0.257 890 D C -0.420 175.907 176.300 0.045 0.000 1.148 890 D CA -0.236 53.866 54.000 0.169 0.000 0.902 890 D CB 1.488 42.369 40.800 0.134 0.000 1.062 890 D HN 0.181 nan 8.370 nan 0.000 0.518 891 S N 2.499 118.193 115.700 -0.011 0.000 2.660 891 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 891 S C 1.724 175.914 174.600 -0.683 0.000 0.948 891 S CA -0.459 57.621 58.200 -0.200 0.000 0.948 891 S CB -0.778 62.460 63.200 0.063 0.000 0.779 891 S HN 0.510 nan 8.310 nan 0.000 0.487 892 Y N 1.139 120.554 120.300 -1.476 0.000 2.228 892 Y HA -0.046 4.504 4.550 -0.000 0.000 0.285 892 Y C 1.248 176.825 175.900 -0.538 0.000 1.178 892 Y CA 1.610 58.688 58.100 -1.703 0.000 1.202 892 Y CB -0.633 37.249 38.460 -0.962 0.000 0.974 892 Y HN 0.403 nan 8.280 nan 0.000 0.527 893 D N -0.848 118.850 120.400 -1.169 0.000 2.599 893 D HA 0.176 4.816 4.640 -0.000 0.000 0.249 893 D C 0.510 176.543 176.300 -0.443 0.000 1.313 893 D CA 0.084 53.644 54.000 -0.733 0.000 0.815 893 D CB 0.026 40.190 40.800 -1.060 0.000 1.077 893 D HN 0.247 nan 8.370 nan 0.000 0.492 894 S N -0.342 115.113 115.700 -0.408 0.000 2.671 894 S HA 0.442 4.912 4.470 -0.000 0.000 0.220 894 S C 1.050 175.552 174.600 -0.163 0.000 0.951 894 S CA 0.244 58.307 58.200 -0.228 0.000 0.932 894 S CB 0.053 63.138 63.200 -0.192 0.000 0.777 894 S HN 0.619 nan 8.310 nan 0.000 0.508 895 G N 2.098 110.624 108.800 -0.457 0.000 2.749 895 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 895 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 895 G C -0.023 174.520 174.900 -0.596 0.000 1.364 895 G CA -0.007 44.788 45.100 -0.507 0.000 0.888 895 G HN 0.308 nan 8.290 nan 0.000 0.566 896 D N -0.949 119.374 120.400 -0.128 0.000 2.178 896 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 896 D C 1.841 178.391 176.300 0.417 0.000 0.980 896 D CA 1.510 55.632 54.000 0.204 0.000 0.842 896 D CB -0.138 40.771 40.800 0.181 0.000 0.948 896 D HN 0.485 nan 8.370 nan 0.000 0.472 897 W N 0.508 121.870 121.300 0.104 0.000 2.353 897 W HA -0.225 4.435 4.660 -0.000 0.000 0.319 897 W C 1.473 177.823 176.519 -0.281 0.000 1.207 897 W CA 0.985 58.314 57.345 -0.027 0.000 1.291 897 W CB -0.533 28.779 29.460 -0.247 0.000 1.159 897 W HN -0.060 nan 8.180 nan 0.000 0.478 898 F N 0.467 120.455 119.950 0.063 0.000 2.615 898 F HA -0.009 4.518 4.527 -0.000 0.000 0.297 898 F C 1.542 177.263 175.800 -0.132 0.000 1.124 898 F CA 1.034 58.997 58.000 -0.062 0.000 1.451 898 F CB -0.674 38.337 39.000 0.019 0.000 1.103 898 F HN -0.140 nan 8.300 nan 0.000 0.569 899 N N -0.335 118.363 118.700 -0.003 0.000 2.280 899 N HA 0.033 4.773 4.740 -0.000 0.000 0.192 899 N C 0.444 175.926 175.510 -0.046 0.000 1.109 899 N CA -0.256 52.796 53.050 0.004 0.000 0.855 899 N CB 0.148 38.621 38.487 -0.023 0.000 0.974 899 N HN 0.005 nan 8.380 nan 0.000 0.482 900 R N 1.332 121.691 120.500 -0.235 0.000 2.537 900 R HA 0.061 4.401 4.340 -0.000 0.000 0.281 900 R C -1.041 174.956 176.300 -0.505 0.000 0.988 900 R CA 0.464 56.217 56.100 -0.578 0.000 1.077 900 R CB 0.313 29.803 30.300 -1.351 0.000 0.932 900 R HN -0.150 nan 8.270 nan 0.000 0.409 901 V N 4.792 124.444 119.914 -0.437 0.000 2.409 901 V HA 0.106 4.225 4.120 -0.000 0.000 0.290 901 V C -0.742 175.001 176.094 -0.586 0.000 1.017 901 V CA -0.779 61.231 62.300 -0.483 0.000 0.841 901 V CB 1.504 33.097 31.823 -0.383 0.000 1.003 901 V HN 0.784 nan 8.190 nan 0.000 0.426 902 D N 3.277 123.306 120.400 -0.618 0.000 2.441 902 D HA 0.229 4.869 4.640 -0.000 0.000 0.221 902 D C 0.390 176.395 176.300 -0.492 0.000 1.156 902 D CA -0.109 53.610 54.000 -0.467 0.000 0.896 902 D CB 0.601 41.154 40.800 -0.412 0.000 1.028 902 D HN 0.528 nan 8.370 nan 0.000 0.509 903 Y N 1.288 121.488 120.300 -0.167 0.000 2.578 903 Y HA -0.045 4.505 4.550 -0.000 0.000 0.297 903 Y C 2.323 178.139 175.900 -0.140 0.000 1.176 903 Y CA 0.391 58.370 58.100 -0.200 0.000 1.315 903 Y CB 0.193 38.555 38.460 -0.162 0.000 1.031 903 Y HN 0.395 nan 8.280 nan 0.000 0.524 904 S N -0.542 115.138 115.700 -0.034 0.000 2.575 904 S HA 0.037 4.506 4.470 -0.000 0.000 0.215 904 S C 0.828 175.381 174.600 -0.079 0.000 0.966 904 S CA 0.012 58.194 58.200 -0.030 0.000 0.911 904 S CB -0.547 62.641 63.200 -0.020 0.000 0.780 904 S HN 0.497 nan 8.310 nan 0.000 0.514 905 L N -0.392 120.744 121.223 -0.144 0.000 3.865 905 L HA -0.231 4.108 4.340 -0.000 0.000 0.408 905 L C 1.207 177.979 176.870 -0.163 0.000 1.209 905 L CA 0.382 55.121 54.840 -0.169 0.000 0.940 905 L CB -2.334 39.654 42.059 -0.119 0.000 1.971 905 L HN 0.305 nan 8.230 nan 0.000 0.899 906 Q N 0.743 120.441 119.800 -0.169 0.000 2.137 906 Q HA 0.035 4.374 4.340 -0.000 0.000 0.198 906 Q C 0.744 176.632 176.000 -0.186 0.000 0.960 906 Q CA 2.045 57.756 55.803 -0.154 0.000 0.847 906 Q CB 0.181 28.839 28.738 -0.134 0.000 0.915 906 Q HN 0.938 nan 8.270 nan 0.000 0.448 907 D N -1.982 118.272 120.400 -0.243 0.000 2.692 907 D HA 0.061 4.701 4.640 -0.000 0.000 0.290 907 D C -0.178 175.918 176.300 -0.340 0.000 1.281 907 D CA -0.671 53.168 54.000 -0.269 0.000 0.804 907 D CB -0.025 40.633 40.800 -0.236 0.000 1.331 907 D HN -0.144 nan 8.370 nan 0.000 0.432 908 N N 0.684 119.166 118.700 -0.362 0.000 2.268 908 N HA 0.075 4.814 4.740 -0.000 0.000 0.204 908 N C 0.107 175.407 175.510 -0.351 0.000 1.124 908 N CA -0.066 52.741 53.050 -0.406 0.000 0.838 908 N CB -0.315 37.844 38.487 -0.546 0.000 0.994 908 N HN 0.628 nan 8.380 nan 0.000 0.489 909 N N -1.275 117.213 118.700 -0.353 0.000 2.850 909 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 909 N C -1.185 174.186 175.510 -0.232 0.000 1.060 909 N CA 0.382 53.200 53.050 -0.386 0.000 0.825 909 N CB -2.137 36.072 38.487 -0.463 0.000 1.132 909 N HN 0.620 nan 8.380 nan 0.000 0.564 910 Y N 1.689 121.824 120.300 -0.276 0.000 2.301 910 Y HA 0.331 4.881 4.550 -0.000 0.000 0.328 910 Y C 1.329 177.149 175.900 -0.134 0.000 1.242 910 Y CA 0.548 58.539 58.100 -0.181 0.000 1.323 910 Y CB 0.519 38.918 38.460 -0.101 0.000 1.266 910 Y HN 0.321 nan 8.280 nan 0.000 0.527 911 N N 2.846 121.190 118.700 -0.593 0.000 2.727 911 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 911 N C -0.556 174.867 175.510 -0.145 0.000 1.040 911 N CA 0.511 53.354 53.050 -0.346 0.000 0.712 911 N CB -0.693 37.692 38.487 -0.171 0.000 0.912 911 N HN 0.584 nan 8.380 nan 0.000 0.545 912 V N -1.462 118.377 119.914 -0.124 0.000 3.085 912 V HA 0.711 4.830 4.120 -0.000 0.000 0.345 912 V C 0.784 176.977 176.094 0.165 0.000 1.397 912 V CA 0.507 62.777 62.300 -0.049 0.000 1.165 912 V CB 0.552 32.155 31.823 -0.367 0.000 1.153 912 V HN 0.651 nan 8.190 nan 0.000 0.495 913 G N 0.330 109.210 108.800 0.133 0.000 2.465 913 G HA2 0.145 4.104 3.960 -0.000 0.000 0.681 913 G HA3 0.145 4.104 3.960 -0.000 0.000 0.681 913 G C -0.853 174.205 174.900 0.263 0.000 1.340 913 G CA -0.870 44.346 45.100 0.194 0.000 0.884 913 G HN 0.174 nan 8.290 nan 0.000 0.650 914 M N 2.089 121.756 119.600 0.110 0.000 2.249 914 M HA 0.237 4.717 4.480 -0.000 0.000 0.340 914 M C -1.408 174.983 176.300 0.152 0.000 1.166 914 M CA -1.780 53.512 55.300 -0.013 0.000 1.115 914 M CB -0.166 32.176 32.600 -0.430 0.000 1.606 914 M HN 0.510 nan 8.290 nan 0.000 0.448 915 P HA 0.134 nan 4.420 nan 0.000 0.274 915 P C -0.794 176.488 177.300 -0.031 0.000 1.256 915 P CA -0.532 62.486 63.100 -0.136 0.000 0.795 915 P CB 0.222 31.913 31.700 -0.014 0.000 1.038 916 R N 0.195 120.548 120.500 -0.245 0.000 2.486 916 R HA -0.011 4.329 4.340 -0.000 0.000 0.304 916 R C 1.063 177.357 176.300 -0.010 0.000 0.913 916 R CA 0.387 56.420 56.100 -0.111 0.000 1.124 916 R CB -1.002 29.198 30.300 -0.167 0.000 0.891 916 R HN 0.476 nan 8.270 nan 0.000 0.410 917 S N 2.255 117.971 115.700 0.028 0.000 2.402 917 S HA -0.229 4.240 4.470 -0.000 0.000 0.229 917 S C 1.944 176.453 174.600 -0.150 0.000 1.021 917 S CA 0.877 59.007 58.200 -0.116 0.000 0.974 917 S CB -0.273 62.906 63.200 -0.036 0.000 0.800 917 S HN 0.828 nan 8.310 nan 0.000 0.484 918 S N 1.573 117.228 115.700 -0.076 0.000 2.383 918 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 918 S C 1.498 176.059 174.600 -0.065 0.000 1.030 918 S CA 1.572 59.735 58.200 -0.062 0.000 1.002 918 S CB -0.614 62.568 63.200 -0.030 0.000 0.829 918 S HN 0.629 nan 8.310 nan 0.000 0.467 919 D N -0.020 120.344 120.400 -0.060 0.000 2.454 919 D HA 0.153 4.793 4.640 -0.000 0.000 0.219 919 D C 0.836 177.105 176.300 -0.052 0.000 1.081 919 D CA 0.254 54.229 54.000 -0.042 0.000 0.867 919 D CB 0.299 41.096 40.800 -0.005 0.000 1.054 919 D HN 0.215 nan 8.370 nan 0.000 0.500 920 D N -0.779 119.577 120.400 -0.074 0.000 2.433 920 D HA 0.164 4.804 4.640 -0.000 0.000 0.211 920 D C 1.806 177.965 176.300 -0.233 0.000 1.114 920 D CA 0.148 54.119 54.000 -0.048 0.000 0.837 920 D CB 0.791 41.641 40.800 0.084 0.000 0.984 920 D HN 0.256 nan 8.370 nan 0.000 0.505 921 G N 1.410 109.929 108.800 -0.467 0.000 2.475 921 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 921 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 921 G C 1.673 176.257 174.900 -0.527 0.000 1.125 921 G CA 1.407 45.960 45.100 -0.911 0.000 0.755 921 G HN 0.359 nan 8.290 nan 0.000 0.565 922 S N 0.385 115.934 115.700 -0.251 0.000 2.555 922 S HA 0.007 4.477 4.470 -0.000 0.000 0.230 922 S C 1.621 176.178 174.600 -0.071 0.000 0.978 922 S CA 0.878 58.999 58.200 -0.132 0.000 0.934 922 S CB -0.091 63.054 63.200 -0.091 0.000 0.766 922 S HN 0.339 nan 8.310 nan 0.000 0.533 923 N N 0.074 118.749 118.700 -0.041 0.000 2.205 923 N HA 0.227 4.967 4.740 -0.000 0.000 0.201 923 N C 0.720 176.329 175.510 0.165 0.000 1.128 923 N CA -0.041 53.036 53.050 0.044 0.000 0.867 923 N CB -0.241 38.290 38.487 0.073 0.000 0.996 923 N HN 0.566 nan 8.380 nan 0.000 0.503 924 Y N 1.216 121.504 120.300 -0.020 0.000 2.165 924 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 924 Y C 2.200 178.081 175.900 -0.033 0.000 1.155 924 Y CA 0.907 58.993 58.100 -0.024 0.000 1.164 924 Y CB 0.139 38.593 38.460 -0.010 0.000 0.978 924 Y HN 0.109 nan 8.280 nan 0.000 0.513 925 D N 0.364 120.848 120.400 0.140 0.000 2.092 925 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 925 D C 1.907 178.223 176.300 0.027 0.000 0.994 925 D CA 1.266 55.303 54.000 0.062 0.000 0.828 925 D CB -0.188 40.635 40.800 0.038 0.000 0.963 925 D HN 0.187 nan 8.370 nan 0.000 0.450 926 I N 0.189 120.771 120.570 0.019 0.000 2.394 926 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 926 I C 1.844 177.956 176.117 -0.008 0.000 1.136 926 I CA 0.964 62.268 61.300 0.008 0.000 1.425 926 I CB -0.180 37.809 38.000 -0.018 0.000 1.079 926 I HN 0.205 nan 8.210 nan 0.000 0.425 927 I N 0.491 121.028 120.570 -0.055 0.000 2.179 927 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 927 I C 2.583 178.596 176.117 -0.174 0.000 1.088 927 I CA 1.421 62.537 61.300 -0.306 0.000 1.357 927 I CB -0.694 37.100 38.000 -0.344 0.000 1.051 927 I HN 0.273 nan 8.210 nan 0.000 0.409 928 A N 0.538 123.310 122.820 -0.081 0.000 1.978 928 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 928 A C 2.379 179.954 177.584 -0.014 0.000 1.170 928 A CA 1.549 53.560 52.037 -0.043 0.000 0.636 928 A CB -0.556 18.428 19.000 -0.026 0.000 0.810 928 A HN 0.346 nan 8.150 nan 0.000 0.448 929 R N -0.872 119.622 120.500 -0.009 0.000 2.119 929 R HA -0.041 4.299 4.340 -0.000 0.000 0.222 929 R C 1.963 178.278 176.300 0.025 0.000 1.088 929 R CA 1.507 57.613 56.100 0.010 0.000 0.984 929 R CB -0.173 30.134 30.300 0.012 0.000 0.884 929 R HN 0.603 nan 8.270 nan 0.000 0.447 930 V N -2.352 117.576 119.914 0.023 0.000 3.431 930 V HA 0.096 4.216 4.120 -0.000 0.000 0.253 930 V C 1.984 178.157 176.094 0.131 0.000 1.184 930 V CA 0.470 62.809 62.300 0.064 0.000 1.104 930 V CB -0.021 31.851 31.823 0.083 0.000 0.799 930 V HN 0.041 nan 8.190 nan 0.000 0.462 931 K N 1.105 121.584 120.400 0.131 0.000 2.059 931 K HA -0.238 4.081 4.320 -0.000 0.000 0.212 931 K C 1.200 177.982 176.600 0.302 0.000 1.050 931 K CA 2.451 58.911 56.287 0.288 0.000 0.927 931 K CB -0.234 32.362 32.500 0.159 0.000 0.714 931 K HN 0.596 nan 8.250 nan 0.000 0.447 932 D N -0.272 120.232 120.400 0.172 0.000 2.395 932 D HA 0.093 4.733 4.640 -0.000 0.000 0.226 932 D C 1.045 177.412 176.300 0.112 0.000 1.146 932 D CA 0.369 54.460 54.000 0.151 0.000 0.830 932 D CB 0.624 41.482 40.800 0.097 0.000 0.958 932 D HN 0.312 nan 8.370 nan 0.000 0.501 933 A N 0.571 123.455 122.820 0.106 0.000 1.892 933 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 933 A C 1.369 178.983 177.584 0.050 0.000 1.188 933 A CA 1.647 53.721 52.037 0.062 0.000 0.631 933 A CB -0.196 18.829 19.000 0.041 0.000 0.822 933 A HN 0.246 nan 8.150 nan 0.000 0.447 934 V N -5.829 114.120 119.914 0.059 0.000 3.156 934 V HA 0.866 4.986 4.120 -0.000 0.000 0.311 934 V C 0.211 176.347 176.094 0.070 0.000 1.208 934 V CA -1.087 61.242 62.300 0.048 0.000 1.063 934 V CB 0.883 32.722 31.823 0.027 0.000 1.098 934 V HN 0.869 nan 8.190 nan 0.000 0.452 935 A N 0.139 122.991 122.820 0.052 0.000 2.366 935 A HA 0.603 4.923 4.320 -0.000 0.000 0.249 935 A C 0.512 178.123 177.584 0.045 0.000 1.084 935 A CA 0.119 52.185 52.037 0.049 0.000 0.794 935 A CB -0.219 18.794 19.000 0.020 0.000 1.034 935 A HN 1.044 nan 8.150 nan 0.000 0.491 936 T N 3.158 117.739 114.554 0.045 0.000 2.832 936 T HA 0.418 4.768 4.350 -0.000 0.000 0.296 936 T C -2.276 172.362 174.700 -0.103 0.000 0.968 936 T CA -0.333 61.773 62.100 0.010 0.000 1.107 936 T CB 0.424 69.340 68.868 0.080 0.000 0.916 936 T HN 0.464 nan 8.240 nan 0.000 0.517 937 P HA 0.262 nan 4.420 nan 0.000 0.265 937 P C 0.144 177.303 177.300 -0.234 0.000 1.187 937 P CA 0.129 63.046 63.100 -0.306 0.000 0.766 937 P CB 0.457 31.809 31.700 -0.580 0.000 0.820 938 G N 0.785 109.472 108.800 -0.189 0.000 3.211 938 G HA2 0.200 4.160 3.960 -0.000 0.000 0.262 938 G HA3 0.200 4.160 3.960 -0.000 0.000 0.262 938 G C 0.572 175.376 174.900 -0.159 0.000 1.352 938 G CA -0.413 44.593 45.100 -0.157 0.000 1.004 938 G HN 0.456 nan 8.290 nan 0.000 0.559 939 E N -1.008 119.114 120.200 -0.130 0.000 2.130 939 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 939 E C 2.249 178.780 176.600 -0.115 0.000 0.998 939 E CA 2.014 58.343 56.400 -0.119 0.000 0.806 939 E CB -0.131 29.515 29.700 -0.091 0.000 0.738 939 E HN 0.429 nan 8.360 nan 0.000 0.459 940 T N 0.576 115.067 114.554 -0.104 0.000 2.708 940 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 940 T C 1.523 176.148 174.700 -0.124 0.000 1.037 940 T CA 1.680 63.720 62.100 -0.099 0.000 1.146 940 T CB -0.220 68.602 68.868 -0.077 0.000 0.865 940 T HN 0.214 nan 8.240 nan 0.000 0.435 941 E N 0.912 121.029 120.200 -0.138 0.000 2.107 941 E HA 0.067 4.417 4.350 -0.000 0.000 0.191 941 E C 2.180 178.666 176.600 -0.190 0.000 0.982 941 E CA 0.536 56.840 56.400 -0.160 0.000 0.809 941 E CB -0.433 29.157 29.700 -0.185 0.000 0.756 941 E HN 0.407 nan 8.360 nan 0.000 0.459 942 L N 0.503 121.607 121.223 -0.198 0.000 2.056 942 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 942 L C 2.165 178.949 176.870 -0.144 0.000 1.078 942 L CA 1.234 55.959 54.840 -0.193 0.000 0.749 942 L CB -0.369 41.567 42.059 -0.206 0.000 0.901 942 L HN 0.077 nan 8.230 nan 0.000 0.433 943 K N -0.180 120.140 120.400 -0.133 0.000 2.097 943 K HA -0.230 4.090 4.320 -0.000 0.000 0.205 943 K C 2.131 178.629 176.600 -0.171 0.000 1.050 943 K CA 1.260 57.478 56.287 -0.113 0.000 0.938 943 K CB -0.120 32.321 32.500 -0.098 0.000 0.718 943 K HN 0.319 nan 8.250 nan 0.000 0.442 944 Q N 0.748 120.407 119.800 -0.234 0.000 2.050 944 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 944 Q C 2.177 177.848 176.000 -0.548 0.000 0.980 944 Q CA 1.593 57.138 55.803 -0.429 0.000 0.840 944 Q CB -0.040 28.466 28.738 -0.386 0.000 0.898 944 Q HN 0.146 nan 8.270 nan 0.000 0.424 945 M N 0.128 119.575 119.600 -0.256 0.000 2.132 945 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 945 M C 1.884 178.210 176.300 0.043 0.000 1.065 945 M CA 1.909 57.189 55.300 -0.033 0.000 1.122 945 M CB -0.458 32.146 32.600 0.007 0.000 1.365 945 M HN 0.141 nan 8.290 nan 0.000 0.411 946 T N 0.538 115.081 114.554 -0.018 0.000 2.788 946 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 946 T C 1.799 176.537 174.700 0.064 0.000 1.044 946 T CA 1.496 63.620 62.100 0.040 0.000 1.139 946 T CB -0.629 68.263 68.868 0.039 0.000 0.867 946 T HN 0.550 nan 8.240 nan 0.000 0.454 947 A N 1.167 123.966 122.820 -0.034 0.000 1.877 947 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 947 A C 1.930 179.585 177.584 0.119 0.000 1.186 947 A CA 1.235 53.258 52.037 -0.022 0.000 0.620 947 A CB -0.904 18.011 19.000 -0.142 0.000 0.822 947 A HN 0.405 nan 8.150 nan 0.000 0.443 948 F N -1.509 118.486 119.950 0.074 0.000 2.126 948 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 948 F C 2.216 178.072 175.800 0.093 0.000 1.096 948 F CA 0.857 58.902 58.000 0.074 0.000 1.255 948 F CB -1.398 37.653 39.000 0.085 0.000 0.997 948 F HN 0.416 nan 8.300 nan 0.000 0.479 949 Y N 1.015 121.440 120.300 0.208 0.000 2.145 949 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 949 Y C 2.471 178.403 175.900 0.052 0.000 1.145 949 Y CA 1.981 60.149 58.100 0.113 0.000 1.148 949 Y CB -0.469 38.049 38.460 0.097 0.000 0.981 949 Y HN 0.120 nan 8.280 nan 0.000 0.507 950 Q N -0.387 119.556 119.800 0.238 0.000 2.291 950 Q HA -0.211 4.129 4.340 -0.000 0.000 0.205 950 Q C 2.072 178.091 176.000 0.031 0.000 0.970 950 Q CA 1.450 57.317 55.803 0.107 0.000 0.876 950 Q CB -0.129 28.653 28.738 0.072 0.000 0.935 950 Q HN 0.649 nan 8.270 nan 0.000 0.455 951 E N 1.204 121.438 120.200 0.057 0.000 2.072 951 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 951 E C 1.923 178.494 176.600 -0.047 0.000 0.982 951 E CA 0.519 56.935 56.400 0.026 0.000 0.803 951 E CB 0.022 29.774 29.700 0.087 0.000 0.755 951 E HN 0.300 nan 8.360 nan 0.000 0.453 952 L N 0.907 122.084 121.223 -0.078 0.000 2.017 952 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 952 L C 2.940 179.672 176.870 -0.230 0.000 1.073 952 L CA 1.824 56.560 54.840 -0.173 0.000 0.745 952 L CB -0.791 41.140 42.059 -0.212 0.000 0.894 952 L HN 0.385 nan 8.230 nan 0.000 0.432 953 T N -2.860 111.560 114.554 -0.224 0.000 2.904 953 T HA -0.044 4.305 4.350 -0.000 0.000 0.267 953 T C 1.890 176.502 174.700 -0.147 0.000 1.059 953 T CA 0.811 62.793 62.100 -0.197 0.000 1.137 953 T CB -0.245 68.532 68.868 -0.152 0.000 0.879 953 T HN 0.298 nan 8.240 nan 0.000 0.467 954 A N 1.500 124.253 122.820 -0.111 0.000 1.929 954 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 954 A C 2.384 179.898 177.584 -0.118 0.000 1.176 954 A CA 0.946 52.935 52.037 -0.081 0.000 0.628 954 A CB -0.800 18.174 19.000 -0.044 0.000 0.816 954 A HN 0.520 nan 8.150 nan 0.000 0.444 955 L N -1.039 120.076 121.223 -0.181 0.000 2.093 955 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 955 L C 2.745 179.285 176.870 -0.549 0.000 1.085 955 L CA 1.550 56.222 54.840 -0.279 0.000 0.755 955 L CB -0.434 41.442 42.059 -0.304 0.000 0.904 955 L HN 0.458 nan 8.230 nan 0.000 0.435 956 R N 1.595 121.776 120.500 -0.532 0.000 2.103 956 R HA -0.216 4.124 4.340 -0.000 0.000 0.242 956 R C 1.937 178.094 176.300 -0.238 0.000 1.142 956 R CA 2.011 57.783 56.100 -0.547 0.000 0.960 956 R CB -0.057 30.055 30.300 -0.313 0.000 0.858 956 R HN 0.422 nan 8.270 nan 0.000 0.439 957 K N -0.204 120.121 120.400 -0.125 0.000 2.387 957 K HA 0.085 4.405 4.320 -0.000 0.000 0.198 957 K C 1.195 177.817 176.600 0.038 0.000 1.022 957 K CA 0.690 56.971 56.287 -0.011 0.000 1.128 957 K CB 0.631 33.127 32.500 -0.007 0.000 0.853 957 K HN 0.084 nan 8.250 nan 0.000 0.523 958 S N -0.376 115.352 115.700 0.047 0.000 2.561 958 S HA -0.002 4.467 4.470 -0.000 0.000 0.225 958 S C 0.520 175.213 174.600 0.154 0.000 0.977 958 S CA -0.007 58.249 58.200 0.092 0.000 0.926 958 S CB -0.017 63.234 63.200 0.085 0.000 0.769 958 S HN 0.277 nan 8.310 nan 0.000 0.533 959 S N 0.775 116.619 115.700 0.240 0.000 2.542 959 S HA 0.478 4.948 4.470 -0.000 0.000 0.276 959 S C -2.673 172.012 174.600 0.140 0.000 1.148 959 S CA -1.054 57.240 58.200 0.156 0.000 0.886 959 S CB 1.812 65.062 63.200 0.083 0.000 1.109 959 S HN 0.007 nan 8.310 nan 0.000 0.458 960 P HA 0.057 nan 4.420 nan 0.000 0.230 960 P C 1.406 178.701 177.300 -0.008 0.000 1.158 960 P CA 0.465 63.584 63.100 0.031 0.000 0.769 960 P CB 0.013 31.718 31.700 0.008 0.000 0.807 961 L N -1.987 119.181 121.223 -0.092 0.000 2.201 961 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 961 L C 2.273 179.008 176.870 -0.225 0.000 1.105 961 L CA 1.174 55.891 54.840 -0.205 0.000 0.775 961 L CB -0.885 40.969 42.059 -0.342 0.000 0.913 961 L HN -0.124 nan 8.230 nan 0.000 0.440 962 F N -0.360 119.564 119.950 -0.043 0.000 2.558 962 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 962 F C 1.603 177.371 175.800 -0.052 0.000 1.119 962 F CA 0.837 58.806 58.000 -0.050 0.000 1.451 962 F CB -0.296 38.675 39.000 -0.049 0.000 1.091 962 F HN 0.054 nan 8.300 nan 0.000 0.563 963 T N -2.701 111.922 114.554 0.116 0.000 3.630 963 T HA 0.327 4.677 4.350 -0.000 0.000 0.238 963 T C 0.991 175.698 174.700 0.012 0.000 1.195 963 T CA -0.214 61.915 62.100 0.047 0.000 1.433 963 T CB -0.659 68.232 68.868 0.038 0.000 0.940 963 T HN 0.078 nan 8.240 nan 0.000 0.641 964 L N 0.983 122.206 121.223 -0.001 0.000 2.127 964 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 964 L C 2.624 179.492 176.870 -0.003 0.000 1.089 964 L CA 1.662 56.498 54.840 -0.007 0.000 0.757 964 L CB -0.942 41.110 42.059 -0.012 0.000 0.899 964 L HN 0.801 nan 8.230 nan 0.000 0.434 965 G N -0.909 107.887 108.800 -0.008 0.000 2.779 965 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.230 965 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.230 965 G C 0.208 175.111 174.900 0.005 0.000 1.243 965 G CA 0.373 45.468 45.100 -0.008 0.000 0.769 965 G HN 0.386 nan 8.290 nan 0.000 0.516 966 D N 1.684 122.092 120.400 0.013 0.000 2.249 966 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 966 D C 1.512 177.830 176.300 0.030 0.000 1.114 966 D CA 0.450 54.465 54.000 0.024 0.000 0.854 966 D CB 1.071 41.886 40.800 0.024 0.000 1.132 966 D HN 0.282 nan 8.370 nan 0.000 0.461 967 G N 2.242 111.064 108.800 0.038 0.000 2.446 967 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 967 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 967 G C 1.463 176.404 174.900 0.069 0.000 1.168 967 G CA 1.087 46.219 45.100 0.053 0.000 0.771 967 G HN 0.560 nan 8.290 nan 0.000 0.551 968 A N 0.094 122.946 122.820 0.053 0.000 1.933 968 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 968 A C 2.525 180.136 177.584 0.045 0.000 1.175 968 A CA 2.461 54.526 52.037 0.048 0.000 0.628 968 A CB -0.834 18.187 19.000 0.034 0.000 0.814 968 A HN 0.316 nan 8.150 nan 0.000 0.444 969 T N -0.566 114.011 114.554 0.038 0.000 2.857 969 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 969 T C 1.861 176.586 174.700 0.042 0.000 1.048 969 T CA 1.348 63.465 62.100 0.028 0.000 1.139 969 T CB -0.331 68.546 68.868 0.015 0.000 0.874 969 T HN 0.154 nan 8.240 nan 0.000 0.455 970 V N 1.695 121.646 119.914 0.061 0.000 2.343 970 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 970 V C 2.459 178.669 176.094 0.194 0.000 1.051 970 V CA 1.713 64.069 62.300 0.093 0.000 1.036 970 V CB -0.571 31.299 31.823 0.079 0.000 0.654 970 V HN 0.500 nan 8.190 nan 0.000 0.451 971 M N -0.902 118.816 119.600 0.196 0.000 2.279 971 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 971 M C 2.085 178.417 176.300 0.054 0.000 1.062 971 M CA 1.681 57.075 55.300 0.157 0.000 1.099 971 M CB -0.347 32.304 32.600 0.086 0.000 1.394 971 M HN 0.214 nan 8.290 nan 0.000 0.426 972 K N -0.534 119.893 120.400 0.045 0.000 2.365 972 K HA 0.011 4.330 4.320 -0.000 0.000 0.197 972 K C 1.678 178.284 176.600 0.010 0.000 1.042 972 K CA 0.668 56.963 56.287 0.014 0.000 0.987 972 K CB 0.294 32.800 32.500 0.009 0.000 0.779 972 K HN 0.318 nan 8.250 nan 0.000 0.484 973 R N -0.371 120.144 120.500 0.024 0.000 2.342 973 R HA 0.156 4.496 4.340 -0.000 0.000 0.204 973 R C -0.080 176.217 176.300 -0.006 0.000 0.882 973 R CA -0.067 56.032 56.100 -0.003 0.000 1.041 973 R CB 0.990 31.275 30.300 -0.025 0.000 1.188 973 R HN -0.142 nan 8.270 nan 0.000 0.598 974 V N 1.886 121.833 119.914 0.055 0.000 2.509 974 V HA 0.260 4.379 4.120 -0.000 0.000 0.284 974 V C -0.398 175.763 176.094 0.112 0.000 1.047 974 V CA -0.321 61.996 62.300 0.029 0.000 0.952 974 V CB 1.496 33.334 31.823 0.025 0.000 0.988 974 V HN 0.073 nan 8.190 nan 0.000 0.469 975 D N 1.959 122.298 120.400 -0.103 0.000 2.664 975 D HA 0.616 5.256 4.640 -0.000 0.000 0.292 975 D C -1.572 174.526 176.300 -0.338 0.000 1.214 975 D CA -0.321 53.667 54.000 -0.020 0.000 0.932 975 D CB 2.145 42.953 40.800 0.014 0.000 1.420 975 D HN 0.216 nan 8.370 nan 0.000 0.471 976 F N 0.085 120.119 119.950 0.139 0.000 2.599 976 F HA 0.600 5.127 4.527 -0.000 0.000 0.311 976 F C 0.671 176.517 175.800 0.076 0.000 1.076 976 F CA -0.849 57.218 58.000 0.112 0.000 0.937 976 F CB 1.698 40.767 39.000 0.114 0.000 1.282 976 F HN -0.071 nan 8.300 nan 0.000 0.460 977 R N 0.221 120.880 120.500 0.264 0.000 2.923 977 R HA 0.367 4.707 4.340 -0.000 0.000 0.252 977 R C -0.240 176.142 176.300 0.137 0.000 1.130 977 R CA -1.152 55.033 56.100 0.142 0.000 1.043 977 R CB 0.853 31.212 30.300 0.097 0.000 1.205 977 R HN 0.859 nan 8.270 nan 0.000 0.495 978 N N 0.531 119.273 118.700 0.070 0.000 2.727 978 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 978 N C -1.058 174.483 175.510 0.052 0.000 1.040 978 N CA 0.842 53.924 53.050 0.053 0.000 0.712 978 N CB -0.323 38.201 38.487 0.062 0.000 0.912 978 N HN 0.703 nan 8.380 nan 0.000 0.545 979 T N -1.868 112.714 114.554 0.047 0.000 2.910 979 T HA 0.833 5.183 4.350 -0.000 0.000 0.287 979 T C 0.780 175.492 174.700 0.020 0.000 1.050 979 T CA 0.180 62.301 62.100 0.034 0.000 1.011 979 T CB 2.106 71.005 68.868 0.052 0.000 1.195 979 T HN 0.888 nan 8.240 nan 0.000 0.540 980 G N -0.138 108.671 108.800 0.015 0.000 2.698 980 G HA2 0.270 4.230 3.960 -0.000 0.000 0.225 980 G HA3 0.270 4.230 3.960 -0.000 0.000 0.225 980 G C 0.817 175.723 174.900 0.010 0.000 1.345 980 G CA -0.094 45.014 45.100 0.012 0.000 0.871 980 G HN 1.625 nan 8.290 nan 0.000 0.540 981 A N -1.310 121.515 122.820 0.008 0.000 2.019 981 A HA 0.158 4.478 4.320 -0.000 0.000 0.219 981 A C 1.656 179.243 177.584 0.005 0.000 1.164 981 A CA 2.486 54.527 52.037 0.007 0.000 0.644 981 A CB -0.198 18.805 19.000 0.006 0.000 0.805 981 A HN 0.626 nan 8.150 nan 0.000 0.449 982 D N -0.171 120.230 120.400 0.003 0.000 2.358 982 D HA 0.075 4.715 4.640 -0.000 0.000 0.224 982 D C 0.738 177.038 176.300 0.000 0.000 1.123 982 D CA -0.043 53.957 54.000 0.000 0.000 0.833 982 D CB -0.112 40.687 40.800 -0.002 0.000 0.946 982 D HN 0.820 nan 8.370 nan 0.000 0.505 983 Q N 0.061 119.863 119.800 0.003 0.000 2.454 983 Q HA 0.118 4.458 4.340 -0.000 0.000 0.247 983 Q C -0.253 175.746 176.000 -0.002 0.000 1.028 983 Q CA -0.085 55.720 55.803 0.003 0.000 0.910 983 Q CB 0.784 29.526 28.738 0.007 0.000 1.276 983 Q HN 0.028 nan 8.270 nan 0.000 0.489 984 Q N 1.749 121.547 119.800 -0.005 0.000 2.349 984 Q HA 0.184 4.524 4.340 -0.000 0.000 0.254 984 Q C -0.708 175.279 176.000 -0.022 0.000 0.980 984 Q CA -0.300 55.493 55.803 -0.015 0.000 0.924 984 Q CB 1.239 29.966 28.738 -0.019 0.000 1.209 984 Q HN 0.588 nan 8.270 nan 0.000 0.445 985 T N 1.481 116.022 114.554 -0.023 0.000 2.905 985 T HA 0.113 4.462 4.350 -0.000 0.000 0.299 985 T C 1.306 175.976 174.700 -0.050 0.000 1.024 985 T CA 1.071 63.156 62.100 -0.025 0.000 1.151 985 T CB 0.426 69.285 68.868 -0.015 0.000 0.987 985 T HN 0.990 nan 8.240 nan 0.000 0.535 986 G N 1.739 110.512 108.800 -0.044 0.000 2.253 986 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.251 986 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.251 986 G C 0.009 174.862 174.900 -0.078 0.000 0.998 986 G CA 0.053 45.110 45.100 -0.071 0.000 0.621 986 G HN 0.778 nan 8.290 nan 0.000 0.524 987 L N 2.169 123.358 121.223 -0.057 0.000 2.260 987 L HA 0.722 5.061 4.340 -0.000 0.000 0.289 987 L C 0.115 176.994 176.870 0.015 0.000 1.057 987 L CA -0.652 54.168 54.840 -0.034 0.000 0.811 987 L CB 0.666 42.709 42.059 -0.025 0.000 1.184 987 L HN 0.163 nan 8.230 nan 0.000 0.429 988 L N 6.405 127.649 121.223 0.034 0.000 2.272 988 L HA 0.567 4.907 4.340 -0.000 0.000 0.289 988 L C -0.781 176.172 176.870 0.138 0.000 1.032 988 L CA -0.773 54.122 54.840 0.092 0.000 0.810 988 L CB 1.591 43.701 42.059 0.085 0.000 1.205 988 L HN 0.310 nan 8.230 nan 0.000 0.422 989 V N 4.733 124.774 119.914 0.211 0.000 2.409 989 V HA 0.428 4.548 4.120 -0.000 0.000 0.290 989 V C -0.163 176.078 176.094 0.244 0.000 1.017 989 V CA -0.321 62.102 62.300 0.204 0.000 0.841 989 V CB 1.802 33.750 31.823 0.208 0.000 1.003 989 V HN 0.783 nan 8.190 nan 0.000 0.426 990 M N 5.034 124.690 119.600 0.093 0.000 2.383 990 M HA 0.705 5.185 4.480 -0.000 0.000 0.325 990 M C -0.210 175.986 176.300 -0.173 0.000 1.092 990 M CA -0.160 55.008 55.300 -0.220 0.000 0.961 990 M CB 2.195 34.628 32.600 -0.278 0.000 1.672 990 M HN 0.780 nan 8.290 nan 0.000 0.438 991 T N 2.633 117.047 114.554 -0.234 0.000 2.856 991 T HA 0.724 5.073 4.350 -0.000 0.000 0.283 991 T C -0.569 174.026 174.700 -0.175 0.000 1.008 991 T CA -0.751 61.273 62.100 -0.126 0.000 0.997 991 T CB 1.187 70.059 68.868 0.008 0.000 0.992 991 T HN 0.631 nan 8.240 nan 0.000 0.454 992 I N 2.255 122.725 120.570 -0.166 0.000 2.439 992 I HA 0.312 4.482 4.170 -0.000 0.000 0.283 992 I C -0.621 175.417 176.117 -0.132 0.000 1.023 992 I CA -0.871 60.326 61.300 -0.173 0.000 1.100 992 I CB 1.665 39.507 38.000 -0.265 0.000 1.238 992 I HN 0.651 nan 8.210 nan 0.000 0.445 993 D N 4.011 124.359 120.400 -0.086 0.000 2.345 993 D HA 0.114 4.754 4.640 -0.000 0.000 0.247 993 D C -0.099 176.162 176.300 -0.065 0.000 1.108 993 D CA 0.529 54.493 54.000 -0.061 0.000 0.894 993 D CB 1.413 42.191 40.800 -0.036 0.000 1.203 993 D HN 0.555 nan 8.370 nan 0.000 0.430 994 D N 1.232 121.598 120.400 -0.057 0.000 2.594 994 D HA 0.250 4.890 4.640 -0.000 0.000 0.256 994 D C 0.333 176.612 176.300 -0.036 0.000 1.393 994 D CA -0.311 53.657 54.000 -0.052 0.000 0.797 994 D CB 0.241 41.002 40.800 -0.065 0.000 1.110 994 D HN 0.386 nan 8.370 nan 0.000 0.495 995 G N -0.048 108.735 108.800 -0.029 0.000 2.588 995 G HA2 0.271 4.231 3.960 -0.000 0.000 0.281 995 G HA3 0.271 4.231 3.960 -0.000 0.000 0.281 995 G C 1.195 176.085 174.900 -0.016 0.000 1.236 995 G CA -0.477 44.611 45.100 -0.019 0.000 0.969 995 G HN 0.121 nan 8.290 nan 0.000 0.504 996 M N -0.809 118.784 119.600 -0.012 0.000 2.195 996 M HA -0.168 4.311 4.480 -0.000 0.000 0.260 996 M C 2.511 178.805 176.300 -0.010 0.000 1.066 996 M CA 1.585 56.878 55.300 -0.011 0.000 1.089 996 M CB -0.245 32.350 32.600 -0.008 0.000 1.377 996 M HN 0.557 nan 8.290 nan 0.000 0.411 997 Q N -0.533 119.261 119.800 -0.011 0.000 2.435 997 Q HA 0.035 4.375 4.340 -0.000 0.000 0.207 997 Q C 2.045 178.038 176.000 -0.011 0.000 0.956 997 Q CA 0.908 56.705 55.803 -0.010 0.000 0.917 997 Q CB 0.028 28.759 28.738 -0.010 0.000 0.997 997 Q HN 0.581 nan 8.270 nan 0.000 0.497 998 A N 0.182 122.994 122.820 -0.014 0.000 2.030 998 A HA 0.379 4.699 4.320 -0.000 0.000 0.215 998 A C 1.119 178.695 177.584 -0.012 0.000 1.164 998 A CA 1.162 53.190 52.037 -0.014 0.000 0.697 998 A CB 0.141 19.129 19.000 -0.020 0.000 0.827 998 A HN 0.424 nan 8.150 nan 0.000 0.457 999 G N -1.667 107.126 108.800 -0.012 0.000 2.217 999 G HA2 0.441 4.401 3.960 -0.000 0.000 0.173 999 G HA3 0.441 4.401 3.960 -0.000 0.000 0.173 999 G C 0.118 175.011 174.900 -0.011 0.000 1.324 999 G CA -0.211 44.883 45.100 -0.010 0.000 1.225 999 G HN 1.370 nan 8.290 nan 0.000 0.494 1000 A N -0.227 122.586 122.820 -0.011 0.000 2.351 1000 A HA 0.716 5.036 4.320 -0.000 0.000 0.257 1000 A C 0.955 178.529 177.584 -0.016 0.000 1.087 1000 A CA 1.231 53.261 52.037 -0.012 0.000 0.798 1000 A CB 0.722 19.716 19.000 -0.009 0.000 1.033 1000 A HN 2.150 nan 8.150 nan 0.000 0.488 1001 S N 1.037 116.727 115.700 -0.016 0.000 2.455 1001 S HA 0.256 4.726 4.470 -0.000 0.000 0.278 1001 S C 0.829 175.417 174.600 -0.021 0.000 1.216 1001 S CA -0.518 57.670 58.200 -0.021 0.000 1.055 1001 S CB -0.489 62.700 63.200 -0.019 0.000 0.939 1001 S HN 0.535 nan 8.310 nan 0.000 0.494 1002 L N 3.073 124.280 121.223 -0.027 0.000 2.446 1002 L HA 0.283 4.623 4.340 -0.000 0.000 0.219 1002 L C 0.600 177.455 176.870 -0.024 0.000 1.116 1002 L CA 0.336 55.162 54.840 -0.025 0.000 0.844 1002 L CB 0.049 42.090 42.059 -0.030 0.000 0.970 1002 L HN 0.553 nan 8.230 nan 0.000 0.457 1003 D N -0.787 119.595 120.400 -0.031 0.000 2.542 1003 D HA 0.089 4.729 4.640 -0.000 0.000 0.252 1003 D C 0.942 177.228 176.300 -0.024 0.000 1.222 1003 D CA -0.057 53.926 54.000 -0.028 0.000 0.895 1003 D CB 1.675 42.450 40.800 -0.042 0.000 1.207 1003 D HN -0.047 nan 8.370 nan 0.000 0.558 1004 S N 3.575 119.266 115.700 -0.016 0.000 2.469 1004 S HA -0.127 4.343 4.470 -0.000 0.000 0.238 1004 S C 1.402 175.994 174.600 -0.014 0.000 0.998 1004 S CA 0.597 58.789 58.200 -0.013 0.000 0.957 1004 S CB 0.000 63.194 63.200 -0.009 0.000 0.764 1004 S HN 0.515 nan 8.310 nan 0.000 0.514 1005 R N 0.720 121.211 120.500 -0.014 0.000 2.210 1005 R HA 0.281 4.621 4.340 -0.000 0.000 0.203 1005 R C 0.570 176.858 176.300 -0.020 0.000 1.010 1005 R CA 0.742 56.834 56.100 -0.014 0.000 1.008 1005 R CB 0.116 30.411 30.300 -0.008 0.000 0.923 1005 R HN 0.535 nan 8.270 nan 0.000 0.469 1006 V N -2.709 117.187 119.914 -0.030 0.000 3.078 1006 V HA 0.387 4.507 4.120 -0.000 0.000 0.311 1006 V C -0.638 175.430 176.094 -0.044 0.000 1.138 1006 V CA -0.948 61.328 62.300 -0.040 0.000 1.007 1006 V CB 2.670 34.459 31.823 -0.056 0.000 1.045 1006 V HN -0.158 nan 8.190 nan 0.000 0.432 1007 D N 1.425 121.799 120.400 -0.043 0.000 2.369 1007 D HA 0.457 5.097 4.640 -0.000 0.000 0.211 1007 D C 0.613 176.882 176.300 -0.052 0.000 1.077 1007 D CA 1.400 55.376 54.000 -0.039 0.000 0.842 1007 D CB 1.344 42.129 40.800 -0.025 0.000 0.947 1007 D HN 1.179 nan 8.370 nan 0.000 0.509 1008 G N 0.215 108.972 108.800 -0.072 0.000 2.355 1008 G HA2 0.383 4.343 3.960 -0.000 0.000 0.296 1008 G HA3 0.383 4.343 3.960 -0.000 0.000 0.296 1008 G C -1.834 172.987 174.900 -0.131 0.000 1.507 1008 G CA -0.625 44.418 45.100 -0.095 0.000 0.823 1008 G HN -0.087 nan 8.290 nan 0.000 0.569 1009 I N 0.230 120.695 120.570 -0.176 0.000 2.647 1009 I HA 0.604 4.774 4.170 -0.000 0.000 0.295 1009 I C -0.442 175.558 176.117 -0.196 0.000 1.078 1009 I CA -1.054 60.121 61.300 -0.208 0.000 1.048 1009 I CB 1.883 39.675 38.000 -0.347 0.000 1.239 1009 I HN 0.306 nan 8.210 nan 0.000 0.421 1010 V N 5.863 125.663 119.914 -0.191 0.000 2.487 1010 V HA 0.454 4.574 4.120 -0.000 0.000 0.298 1010 V C -0.241 175.793 176.094 -0.100 0.000 1.028 1010 V CA -0.736 61.444 62.300 -0.201 0.000 0.860 1010 V CB 2.353 33.916 31.823 -0.434 0.000 0.991 1010 V HN 0.413 nan 8.190 nan 0.000 0.427 1011 V N 4.250 124.142 119.914 -0.038 0.000 2.357 1011 V HA 0.774 4.894 4.120 -0.000 0.000 0.284 1011 V C 0.331 176.444 176.094 0.032 0.000 1.018 1011 V CA -0.373 61.948 62.300 0.034 0.000 0.841 1011 V CB 1.522 33.403 31.823 0.097 0.000 0.991 1011 V HN 0.974 nan 8.190 nan 0.000 0.437 1012 A N 6.885 129.716 122.820 0.019 0.000 2.311 1012 A HA 0.852 5.172 4.320 -0.000 0.000 0.306 1012 A C -0.719 176.875 177.584 0.017 0.000 1.189 1012 A CA -0.407 51.647 52.037 0.027 0.000 0.791 1012 A CB 0.565 19.571 19.000 0.010 0.000 1.172 1012 A HN 0.779 nan 8.150 nan 0.000 0.481 1013 I N 3.042 123.628 120.570 0.026 0.000 2.390 1013 I HA 0.224 4.394 4.170 -0.000 0.000 0.283 1013 I C 0.250 176.354 176.117 -0.022 0.000 1.016 1013 I CA -0.203 61.102 61.300 0.008 0.000 1.151 1013 I CB 1.503 39.520 38.000 0.029 0.000 1.293 1013 I HN 0.775 nan 8.210 nan 0.000 0.458 1014 N N 6.088 124.751 118.700 -0.062 0.000 2.918 1014 N HA 0.329 5.069 4.740 -0.000 0.000 0.247 1014 N C -0.041 175.301 175.510 -0.280 0.000 1.117 1014 N CA -0.282 52.681 53.050 -0.144 0.000 1.005 1014 N CB 0.782 39.183 38.487 -0.145 0.000 1.297 1014 N HN 0.722 nan 8.380 nan 0.000 0.513 1015 A N 2.607 125.268 122.820 -0.264 0.000 3.056 1015 A HA 0.561 4.881 4.320 -0.000 0.000 0.274 1015 A C -0.052 176.982 177.584 -0.916 0.000 1.661 1015 A CA -0.293 51.496 52.037 -0.415 0.000 1.363 1015 A CB -0.348 18.647 19.000 -0.008 0.000 1.139 1015 A HN 0.635 nan 8.150 nan 0.000 0.598 1016 A N 1.944 123.874 122.820 -1.483 0.000 2.608 1016 A HA 0.801 5.120 4.320 -0.000 0.000 0.292 1016 A C -2.733 174.152 177.584 -1.164 0.000 1.066 1016 A CA -1.010 50.368 52.037 -1.099 0.000 0.676 1016 A CB 0.956 19.671 19.000 -0.475 0.000 1.277 1016 A HN 0.158 nan 8.150 nan 0.000 0.413 1017 P HA 0.112 nan 4.420 nan 0.000 0.253 1017 P C -0.000 177.251 177.300 -0.081 0.000 1.260 1017 P CA 0.692 63.747 63.100 -0.075 0.000 0.800 1017 P CB 0.387 32.203 31.700 0.192 0.000 1.162 1018 E N -0.430 119.675 120.200 -0.157 0.000 2.235 1018 E HA 0.402 4.751 4.350 -0.000 0.000 0.265 1018 E C -0.285 176.253 176.600 -0.103 0.000 0.940 1018 E CA -0.831 55.514 56.400 -0.091 0.000 0.819 1018 E CB 1.446 31.101 29.700 -0.074 0.000 1.206 1018 E HN -0.121 nan 8.360 nan 0.000 0.409 1019 S N 1.195 116.862 115.700 -0.055 0.000 2.565 1019 S HA 0.406 4.876 4.470 -0.000 0.000 0.274 1019 S C -0.278 174.295 174.600 -0.045 0.000 1.309 1019 S CA -0.417 57.756 58.200 -0.045 0.000 1.043 1019 S CB 0.620 63.810 63.200 -0.017 0.000 0.939 1019 S HN 0.256 nan 8.310 nan 0.000 0.504 1020 R N 1.109 121.584 120.500 -0.042 0.000 2.686 1020 R HA 0.573 4.912 4.340 -0.000 0.000 0.286 1020 R C -0.884 175.412 176.300 -0.006 0.000 0.969 1020 R CA -0.353 55.730 56.100 -0.029 0.000 0.898 1020 R CB 1.816 32.092 30.300 -0.041 0.000 1.183 1020 R HN 0.525 nan 8.270 nan 0.000 0.456 1021 T N 3.629 118.187 114.554 0.005 0.000 2.779 1021 T HA 0.488 4.838 4.350 -0.000 0.000 0.280 1021 T C -0.399 174.323 174.700 0.038 0.000 0.987 1021 T CA -0.636 61.477 62.100 0.021 0.000 0.966 1021 T CB 0.630 69.508 68.868 0.017 0.000 0.933 1021 T HN 0.187 nan 8.240 nan 0.000 0.442 1022 L N 3.479 124.744 121.223 0.070 0.000 2.275 1022 L HA 0.409 4.748 4.340 -0.000 0.000 0.288 1022 L C 1.114 178.046 176.870 0.103 0.000 1.046 1022 L CA -0.576 54.332 54.840 0.113 0.000 0.805 1022 L CB 1.139 43.336 42.059 0.229 0.000 1.193 1022 L HN 0.540 nan 8.230 nan 0.000 0.426 1023 Q N 0.926 120.750 119.800 0.040 0.000 2.246 1023 Q HA 0.033 4.373 4.340 -0.000 0.000 0.222 1023 Q C 0.625 176.583 176.000 -0.070 0.000 0.851 1023 Q CA 0.201 56.009 55.803 0.009 0.000 0.945 1023 Q CB 0.578 29.310 28.738 -0.011 0.000 1.122 1023 Q HN 0.703 nan 8.270 nan 0.000 0.508 1024 D N 0.120 120.402 120.400 -0.197 0.000 2.311 1024 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 1024 D C 0.104 175.932 176.300 -0.787 0.000 0.972 1024 D CA 1.023 54.688 54.000 -0.560 0.000 0.887 1024 D CB -0.012 40.259 40.800 -0.881 0.000 0.915 1024 D HN 0.210 nan 8.370 nan 0.000 0.497 1025 F N -0.263 119.684 119.950 -0.004 0.000 2.805 1025 F HA 0.452 4.979 4.527 -0.000 0.000 0.317 1025 F C 0.640 176.436 175.800 -0.006 0.000 1.146 1025 F CA -0.926 57.070 58.000 -0.006 0.000 1.265 1025 F CB -0.177 38.818 39.000 -0.008 0.000 0.992 1025 F HN -0.217 nan 8.300 nan 0.000 0.511 1026 A N 0.508 123.376 122.820 0.081 0.000 2.540 1026 A HA 0.412 4.732 4.320 -0.000 0.000 0.239 1026 A C 1.389 179.003 177.584 0.051 0.000 1.061 1026 A CA 0.587 52.659 52.037 0.058 0.000 0.758 1026 A CB -0.582 18.430 19.000 0.020 0.000 0.991 1026 A HN 1.109 nan 8.150 nan 0.000 0.502 1027 G N 2.205 111.033 108.800 0.047 0.000 2.367 1027 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.295 1027 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.295 1027 G C 0.366 175.293 174.900 0.046 0.000 1.019 1027 G CA 0.611 45.733 45.100 0.036 0.000 1.224 1027 G HN 1.463 nan 8.290 nan 0.000 0.510 1028 T N -0.887 113.704 114.554 0.062 0.000 3.131 1028 T HA 0.322 4.672 4.350 -0.000 0.000 0.283 1028 T C 1.227 175.952 174.700 0.042 0.000 0.906 1028 T CA 1.053 63.194 62.100 0.068 0.000 0.882 1028 T CB 0.262 69.211 68.868 0.135 0.000 1.208 1028 T HN 2.268 nan 8.240 nan 0.000 0.561 1029 S N 1.193 116.912 115.700 0.031 0.000 3.625 1029 S HA -0.156 4.314 4.470 -0.000 0.000 0.426 1029 S C -0.270 174.327 174.600 -0.004 0.000 0.884 1029 S CA -0.245 57.962 58.200 0.012 0.000 1.322 1029 S CB -2.284 60.920 63.200 0.007 0.000 0.905 1029 S HN 0.356 nan 8.310 nan 0.000 0.586 1030 L N 1.635 122.850 121.223 -0.013 0.000 2.334 1030 L HA 0.631 4.971 4.340 -0.000 0.000 0.277 1030 L C 0.346 177.188 176.870 -0.047 0.000 1.075 1030 L CA 0.396 55.202 54.840 -0.056 0.000 0.804 1030 L CB 1.470 43.463 42.059 -0.109 0.000 1.174 1030 L HN 0.714 nan 8.230 nan 0.000 0.438 1031 Q N 2.787 122.555 119.800 -0.053 0.000 2.394 1031 Q HA 0.431 4.771 4.340 -0.000 0.000 0.273 1031 Q C -1.350 174.627 176.000 -0.039 0.000 1.089 1031 Q CA -1.154 54.627 55.803 -0.036 0.000 0.812 1031 Q CB 2.781 31.505 28.738 -0.024 0.000 1.353 1031 Q HN 0.505 nan 8.270 nan 0.000 0.438 1032 L N 1.286 122.494 121.223 -0.026 0.000 2.426 1032 L HA 0.180 4.519 4.340 -0.000 0.000 0.271 1032 L C 0.068 176.934 176.870 -0.008 0.000 1.169 1032 L CA 0.587 55.416 54.840 -0.019 0.000 0.836 1032 L CB 1.356 43.410 42.059 -0.009 0.000 1.112 1032 L HN 0.658 nan 8.230 nan 0.000 0.465 1033 S N 3.404 119.104 115.700 0.001 0.000 2.558 1033 S HA 0.178 4.648 4.470 -0.000 0.000 0.293 1033 S C 1.455 176.062 174.600 0.012 0.000 1.292 1033 S CA 0.091 58.299 58.200 0.014 0.000 1.063 1033 S CB 0.637 63.855 63.200 0.031 0.000 0.831 1033 S HN 0.944 nan 8.310 nan 0.000 0.499 1034 A N 5.627 128.455 122.820 0.012 0.000 1.940 1034 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 1034 A C 2.005 179.596 177.584 0.012 0.000 1.176 1034 A CA 1.561 53.604 52.037 0.010 0.000 0.631 1034 A CB -0.702 18.304 19.000 0.009 0.000 0.814 1034 A HN 0.923 nan 8.150 nan 0.000 0.446 1035 I N -0.709 119.869 120.570 0.014 0.000 2.226 1035 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 1035 I C 2.781 178.908 176.117 0.017 0.000 1.100 1035 I CA 1.551 62.858 61.300 0.012 0.000 1.374 1035 I CB -0.379 37.625 38.000 0.006 0.000 1.057 1035 I HN 0.462 nan 8.210 nan 0.000 0.413 1036 Q N 0.062 119.873 119.800 0.018 0.000 2.123 1036 Q HA -0.201 4.139 4.340 -0.000 0.000 0.199 1036 Q C 2.226 178.242 176.000 0.027 0.000 0.966 1036 Q CA 1.055 56.873 55.803 0.026 0.000 0.845 1036 Q CB -0.070 28.680 28.738 0.021 0.000 0.907 1036 Q HN 0.576 nan 8.270 nan 0.000 0.439 1037 Q N 0.305 120.117 119.800 0.019 0.000 2.096 1037 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 1037 Q C 2.140 178.152 176.000 0.019 0.000 0.982 1037 Q CA 1.356 57.169 55.803 0.018 0.000 0.850 1037 Q CB -0.229 28.516 28.738 0.012 0.000 0.901 1037 Q HN 0.361 nan 8.270 nan 0.000 0.422 1038 A N 1.016 123.846 122.820 0.017 0.000 1.978 1038 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 1038 A C 2.186 179.782 177.584 0.019 0.000 1.170 1038 A CA 1.576 53.623 52.037 0.015 0.000 0.636 1038 A CB -0.556 18.451 19.000 0.012 0.000 0.810 1038 A HN 0.398 nan 8.150 nan 0.000 0.448 1039 A N -1.395 121.442 122.820 0.028 0.000 2.167 1039 A HA 0.410 4.730 4.320 -0.000 0.000 0.214 1039 A C 1.925 179.533 177.584 0.039 0.000 1.151 1039 A CA 1.394 53.453 52.037 0.037 0.000 0.735 1039 A CB -1.211 17.824 19.000 0.059 0.000 0.802 1039 A HN 1.901 nan 8.150 nan 0.000 0.467 1040 G N 1.044 109.866 108.800 0.036 0.000 2.634 1040 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.309 1040 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.309 1040 G C 0.437 175.367 174.900 0.050 0.000 1.265 1040 G CA 0.899 46.020 45.100 0.035 0.000 0.998 1040 G HN 0.916 nan 8.290 nan 0.000 0.551 1041 D N 0.456 120.883 120.400 0.046 0.000 2.371 1041 D HA 0.085 4.724 4.640 -0.000 0.000 0.234 1041 D C 1.938 178.286 176.300 0.081 0.000 1.049 1041 D CA 0.792 54.828 54.000 0.060 0.000 0.907 1041 D CB -0.139 40.688 40.800 0.045 0.000 0.891 1041 D HN 0.595 nan 8.370 nan 0.000 0.531 1042 R N -0.366 120.179 120.500 0.074 0.000 2.362 1042 R HA 0.190 4.530 4.340 -0.000 0.000 0.227 1042 R C 0.585 177.002 176.300 0.194 0.000 0.905 1042 R CA -0.160 55.983 56.100 0.070 0.000 1.067 1042 R CB 0.449 30.749 30.300 -0.000 0.000 1.078 1042 R HN 0.013 nan 8.270 nan 0.000 0.516 1043 S N 0.221 116.038 115.700 0.196 0.000 2.601 1043 S HA 0.174 4.644 4.470 -0.000 0.000 0.271 1043 S C 1.229 175.980 174.600 0.250 0.000 1.305 1043 S CA -0.557 57.774 58.200 0.218 0.000 1.022 1043 S CB 0.828 64.094 63.200 0.110 0.000 0.940 1043 S HN 0.194 nan 8.310 nan 0.000 0.525 1044 L N 2.734 124.030 121.223 0.121 0.000 2.362 1044 L HA 0.039 4.379 4.340 -0.000 0.000 0.219 1044 L C 2.090 178.934 176.870 -0.044 0.000 1.134 1044 L CA 0.978 55.734 54.840 -0.139 0.000 0.807 1044 L CB -0.409 41.493 42.059 -0.261 0.000 0.927 1044 L HN 0.814 nan 8.230 nan 0.000 0.447 1045 A N -1.350 121.480 122.820 0.015 0.000 2.379 1045 A HA 0.084 4.403 4.320 -0.000 0.000 0.236 1045 A C 1.041 178.646 177.584 0.034 0.000 1.272 1045 A CA -0.099 51.947 52.037 0.015 0.000 0.886 1045 A CB -0.064 18.943 19.000 0.011 0.000 0.962 1045 A HN 0.189 nan 8.150 nan 0.000 0.504 1046 S N -0.162 115.574 115.700 0.061 0.000 2.544 1046 S HA 0.385 4.854 4.470 -0.000 0.000 0.290 1046 S C 1.468 176.098 174.600 0.050 0.000 1.276 1046 S CA 1.136 59.375 58.200 0.065 0.000 1.075 1046 S CB 0.039 63.296 63.200 0.096 0.000 0.849 1046 S HN 1.815 nan 8.310 nan 0.000 0.494 1047 G N 3.043 111.867 108.800 0.039 0.000 2.195 1047 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 1047 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 1047 G C 0.175 175.089 174.900 0.022 0.000 0.984 1047 G CA -0.013 45.106 45.100 0.032 0.000 0.633 1047 G HN 0.993 nan 8.290 nan 0.000 0.525 1048 V N 2.675 122.600 119.914 0.018 0.000 2.655 1048 V HA 0.446 4.566 4.120 -0.000 0.000 0.300 1048 V C 0.657 176.757 176.094 0.010 0.000 1.044 1048 V CA 0.913 63.219 62.300 0.010 0.000 1.095 1048 V CB 1.319 33.144 31.823 0.004 0.000 0.952 1048 V HN 0.652 nan 8.190 nan 0.000 0.485 1049 Q N 3.609 123.414 119.800 0.008 0.000 2.337 1049 Q HA 0.699 5.038 4.340 -0.000 0.000 0.270 1049 Q C -1.657 174.348 176.000 0.008 0.000 1.043 1049 Q CA -0.887 54.922 55.803 0.009 0.000 0.794 1049 Q CB 2.267 31.012 28.738 0.012 0.000 1.281 1049 Q HN 0.373 nan 8.270 nan 0.000 0.446 1050 V N 1.941 121.859 119.914 0.006 0.000 2.293 1050 V HA 0.540 4.660 4.120 -0.000 0.000 0.275 1050 V C 0.243 176.344 176.094 0.011 0.000 1.021 1050 V CA -0.489 61.815 62.300 0.007 0.000 0.815 1050 V CB 0.581 32.403 31.823 -0.002 0.000 1.025 1050 V HN 0.926 nan 8.190 nan 0.000 0.448 1051 A N 4.061 126.891 122.820 0.017 0.000 2.310 1051 A HA 0.691 5.011 4.320 -0.000 0.000 0.260 1051 A C 1.629 179.223 177.584 0.017 0.000 1.112 1051 A CA 0.420 52.467 52.037 0.017 0.000 0.804 1051 A CB 0.413 19.424 19.000 0.019 0.000 1.081 1051 A HN 1.144 nan 8.150 nan 0.000 0.499 1052 A N -0.151 122.678 122.820 0.015 0.000 2.014 1052 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 1052 A C 1.437 179.031 177.584 0.017 0.000 1.163 1052 A CA 1.672 53.718 52.037 0.014 0.000 0.652 1052 A CB -0.485 18.521 19.000 0.011 0.000 0.808 1052 A HN 0.868 nan 8.150 nan 0.000 0.449 1053 D N -1.797 118.614 120.400 0.019 0.000 2.349 1053 D HA 0.188 4.828 4.640 -0.000 0.000 0.224 1053 D C 1.194 177.512 176.300 0.031 0.000 1.029 1053 D CA 1.031 55.043 54.000 0.021 0.000 0.879 1053 D CB -0.362 40.449 40.800 0.018 0.000 0.906 1053 D HN 0.708 nan 8.370 nan 0.000 0.528 1054 G N 0.817 109.639 108.800 0.036 0.000 2.195 1054 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.246 1054 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.246 1054 G C 0.419 175.365 174.900 0.076 0.000 0.984 1054 G CA 0.418 45.550 45.100 0.055 0.000 0.633 1054 G HN 0.761 nan 8.290 nan 0.000 0.525 1055 S N -0.669 115.067 115.700 0.060 0.000 2.585 1055 S HA 0.651 5.120 4.470 -0.000 0.000 0.273 1055 S C 0.007 174.643 174.600 0.061 0.000 1.339 1055 S CA -0.024 58.217 58.200 0.069 0.000 1.028 1055 S CB 2.471 65.698 63.200 0.045 0.000 0.906 1055 S HN 1.108 nan 8.310 nan 0.000 0.528 1056 V N 2.414 122.372 119.914 0.074 0.000 2.531 1056 V HA 0.472 4.592 4.120 -0.000 0.000 0.301 1056 V C -0.120 175.997 176.094 0.037 0.000 1.034 1056 V CA -0.591 61.736 62.300 0.045 0.000 0.865 1056 V CB 1.842 33.686 31.823 0.034 0.000 0.995 1056 V HN 1.076 nan 8.190 nan 0.000 0.424 1057 T N 6.321 120.888 114.554 0.021 0.000 2.794 1057 T HA 0.709 5.058 4.350 -0.000 0.000 0.280 1057 T C -0.639 174.064 174.700 0.005 0.000 0.987 1057 T CA -0.330 61.778 62.100 0.014 0.000 0.993 1057 T CB 1.266 70.141 68.868 0.012 0.000 0.939 1057 T HN 0.244 nan 8.240 nan 0.000 0.449 1058 L N 5.749 126.970 121.223 -0.003 0.000 2.322 1058 L HA 0.513 4.853 4.340 -0.000 0.000 0.281 1058 L C -2.251 174.605 176.870 -0.023 0.000 1.014 1058 L CA -2.055 52.776 54.840 -0.014 0.000 0.815 1058 L CB 1.574 43.619 42.059 -0.023 0.000 1.247 1058 L HN 0.390 nan 8.230 nan 0.000 0.421 1059 P HA 0.249 nan 4.420 nan 0.000 0.275 1059 P C -0.960 176.317 177.300 -0.038 0.000 1.266 1059 P CA -0.599 62.497 63.100 -0.007 0.000 0.793 1059 P CB 0.515 32.229 31.700 0.024 0.000 1.074 1060 A N 0.043 122.844 122.820 -0.032 0.000 2.483 1060 A HA 0.146 4.466 4.320 -0.000 0.000 0.238 1060 A C -0.506 177.064 177.584 -0.022 0.000 1.070 1060 A CA -0.179 51.783 52.037 -0.126 0.000 0.770 1060 A CB -1.264 17.733 19.000 -0.004 0.000 1.008 1060 A HN 0.658 nan 8.150 nan 0.000 0.497 1061 W N 0.756 122.049 121.300 -0.011 0.000 6.905 1061 W HA -0.172 4.488 4.660 -0.000 0.000 0.419 1061 W C 0.746 177.225 176.519 -0.065 0.000 1.653 1061 W CA 0.846 58.172 57.345 -0.031 0.000 1.131 1061 W CB -1.975 27.473 29.460 -0.021 0.000 2.876 1061 W HN 1.013 nan 8.180 nan 0.000 1.563 1062 S N -1.664 114.051 115.700 0.025 0.000 2.638 1062 S HA 0.920 5.390 4.470 -0.000 0.000 0.302 1062 S C -0.707 173.873 174.600 -0.034 0.000 1.096 1062 S CA -1.167 57.025 58.200 -0.014 0.000 0.953 1062 S CB 2.973 66.165 63.200 -0.013 0.000 1.107 1062 S HN 0.163 nan 8.310 nan 0.000 0.503 1063 V N 0.746 120.629 119.914 -0.052 0.000 2.525 1063 V HA 0.831 4.950 4.120 -0.000 0.000 0.299 1063 V C -0.289 175.786 176.094 -0.031 0.000 1.034 1063 V CA -0.436 61.839 62.300 -0.042 0.000 0.863 1063 V CB 1.189 32.974 31.823 -0.062 0.000 0.999 1063 V HN 1.306 nan 8.190 nan 0.000 0.423 1064 A N 4.264 127.073 122.820 -0.018 0.000 2.356 1064 A HA 0.890 5.210 4.320 -0.000 0.000 0.310 1064 A C -1.112 176.467 177.584 -0.008 0.000 1.075 1064 A CA -0.594 51.434 52.037 -0.015 0.000 0.746 1064 A CB 1.964 20.951 19.000 -0.021 0.000 1.221 1064 A HN 0.669 nan 8.150 nan 0.000 0.443 1065 V N 4.478 124.394 119.914 0.004 0.000 2.334 1065 V HA 0.385 4.505 4.120 -0.000 0.000 0.281 1065 V C -0.549 175.542 176.094 -0.004 0.000 1.016 1065 V CA -0.463 61.858 62.300 0.034 0.000 0.832 1065 V CB 1.005 32.888 31.823 0.099 0.000 0.999 1065 V HN 0.740 nan 8.190 nan 0.000 0.439 1066 L N 4.811 126.000 121.223 -0.058 0.000 2.334 1066 L HA 0.759 5.099 4.340 -0.000 0.000 0.270 1066 L C 0.089 176.896 176.870 -0.105 0.000 1.018 1066 L CA -0.421 54.359 54.840 -0.098 0.000 0.811 1066 L CB 1.956 43.906 42.059 -0.182 0.000 1.271 1066 L HN 0.861 nan 8.230 nan 0.000 0.443 1067 E N 0.987 121.131 120.200 -0.093 0.000 2.383 1067 E HA 0.534 4.884 4.350 -0.000 0.000 0.275 1067 E C -1.594 174.960 176.600 -0.078 0.000 0.918 1067 E CA -0.845 55.504 56.400 -0.086 0.000 0.764 1067 E CB 2.231 31.901 29.700 -0.050 0.000 1.252 1067 E HN 0.403 nan 8.360 nan 0.000 0.449 1068 L N 2.913 124.093 121.223 -0.072 0.000 2.259 1068 L HA 0.383 4.723 4.340 -0.000 0.000 0.288 1068 L C -2.072 174.776 176.870 -0.036 0.000 1.051 1068 L CA -2.174 52.637 54.840 -0.048 0.000 0.824 1068 L CB 1.050 43.086 42.059 -0.039 0.000 1.206 1068 L HN 0.371 nan 8.230 nan 0.000 0.429 1069 P HA -0.063 nan 4.420 nan 0.000 0.268 1069 P C -0.964 176.326 177.300 -0.017 0.000 1.204 1069 P CA -0.131 62.957 63.100 -0.020 0.000 0.768 1069 P CB 0.867 32.558 31.700 -0.015 0.000 0.842 1070 Q N 2.115 121.905 119.800 -0.017 0.000 2.279 1070 Q HA 0.435 4.774 4.340 -0.000 0.000 0.256 1070 Q C 0.724 176.717 176.000 -0.011 0.000 0.937 1070 Q CA -0.447 55.347 55.803 -0.015 0.000 0.933 1070 Q CB 0.723 29.451 28.738 -0.017 0.000 1.189 1070 Q HN 0.604 nan 8.270 nan 0.000 0.417 1071 G N 1.931 110.725 108.800 -0.009 0.000 2.666 1071 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.207 1071 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.207 1071 G C 0.458 175.354 174.900 -0.006 0.000 1.481 1071 G CA 0.171 45.267 45.100 -0.007 0.000 1.071 1071 G HN 0.887 nan 8.290 nan 0.000 0.572 1072 E N -0.928 119.269 120.200 -0.005 0.000 2.085 1072 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 1072 E C 0.595 177.191 176.600 -0.006 0.000 0.994 1072 E CA 1.177 57.575 56.400 -0.005 0.000 0.801 1072 E CB 0.003 29.700 29.700 -0.004 0.000 0.743 1072 E HN 0.266 nan 8.360 nan 0.000 0.453 1073 S N -0.525 115.171 115.700 -0.006 0.000 2.671 1073 S HA 0.175 4.645 4.470 -0.000 0.000 0.299 1073 S C -1.075 173.520 174.600 -0.008 0.000 1.116 1073 S CA -0.828 57.368 58.200 -0.007 0.000 0.912 1073 S CB 1.723 64.919 63.200 -0.006 0.000 1.130 1073 S HN 0.279 nan 8.310 nan 0.000 0.501 1074 Q N 0.514 120.309 119.800 -0.009 0.000 2.304 1074 Q HA 0.282 4.622 4.340 -0.000 0.000 0.301 1074 Q C 0.438 176.432 176.000 -0.010 0.000 1.063 1074 Q CA 0.057 55.853 55.803 -0.011 0.000 0.947 1074 Q CB 0.149 28.880 28.738 -0.012 0.000 1.201 1074 Q HN 0.817 nan 8.270 nan 0.000 0.389 1075 G N 1.450 110.243 108.800 -0.011 0.000 2.532 1075 G HA2 0.428 4.388 3.960 -0.000 0.000 0.291 1075 G HA3 0.428 4.388 3.960 -0.000 0.000 0.291 1075 G C 0.357 175.253 174.900 -0.007 0.000 1.349 1075 G CA -0.019 45.076 45.100 -0.008 0.000 1.038 1075 G HN 0.817 nan 8.290 nan 0.000 0.518 1076 A N -1.506 121.312 122.820 -0.003 0.000 2.014 1076 A HA 0.423 4.743 4.320 -0.000 0.000 0.218 1076 A C 1.956 179.539 177.584 -0.001 0.000 1.163 1076 A CA 1.899 53.935 52.037 -0.001 0.000 0.652 1076 A CB -1.156 17.845 19.000 0.003 0.000 0.808 1076 A HN 2.514 nan 8.150 nan 0.000 0.449 1077 G N -1.129 107.670 108.800 -0.001 0.000 2.552 1077 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 1077 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 1077 G C -0.106 174.803 174.900 0.015 0.000 1.234 1077 G CA 0.150 45.249 45.100 -0.003 0.000 0.944 1077 G HN 0.883 nan 8.290 nan 0.000 0.568 1078 L N 2.088 123.317 121.223 0.011 0.000 2.556 1078 L HA 0.340 4.679 4.340 -0.000 0.000 0.243 1078 L C -1.986 174.890 176.870 0.010 0.000 1.331 1078 L CA -1.590 53.270 54.840 0.034 0.000 0.927 1078 L CB 1.643 43.736 42.059 0.058 0.000 1.219 1078 L HN 0.409 nan 8.230 nan 0.000 0.490 1079 P HA -0.026 nan 4.420 nan 0.000 0.265 1079 P C 0.124 177.419 177.300 -0.008 0.000 1.193 1079 P CA 0.075 63.171 63.100 -0.007 0.000 0.765 1079 P CB 1.282 32.977 31.700 -0.008 0.000 0.823 1080 V N 3.635 123.541 119.914 -0.014 0.000 2.585 1080 V HA -0.016 4.103 4.120 -0.000 0.000 0.296 1080 V C 1.343 177.423 176.094 -0.022 0.000 1.035 1080 V CA 0.240 62.530 62.300 -0.018 0.000 1.084 1080 V CB 0.038 31.845 31.823 -0.027 0.000 0.953 1080 V HN 0.738 nan 8.190 nan 0.000 0.483 1081 S N 4.211 119.900 115.700 -0.019 0.000 2.549 1081 S HA 0.234 4.704 4.470 -0.000 0.000 0.283 1081 S C 0.222 174.804 174.600 -0.031 0.000 1.320 1081 S CA -0.700 57.486 58.200 -0.022 0.000 1.058 1081 S CB 0.644 63.834 63.200 -0.016 0.000 0.882 1081 S HN 0.682 nan 8.310 nan 0.000 0.498 1082 S N 3.206 118.889 115.700 -0.028 0.000 2.549 1082 S HA 0.292 4.762 4.470 -0.000 0.000 0.283 1082 S C 0.243 174.825 174.600 -0.031 0.000 1.320 1082 S CA -0.514 57.667 58.200 -0.031 0.000 1.058 1082 S CB 0.223 63.408 63.200 -0.024 0.000 0.882 1082 S HN 0.732 nan 8.310 nan 0.000 0.498 1083 K N 0.000 120.377 120.400 -0.038 0.000 2.780 1083 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1083 K CA 0.000 56.267 56.287 -0.034 0.000 0.838 1083 K CB 0.000 32.472 32.500 -0.046 0.000 1.064 1083 K HN 0.000 nan 8.250 nan 0.000 0.543