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 1i6v_1_D DATA FIRST_RESID 2 DATA SEQUENCE ?????????A LASPEKIR?? ?????????? ?????????? ?????XXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXEAK VCERCAVEVT RSIVRRYRMA HIELATPAAH DATA SEQUENCE IWFVKDVPSK IATLLDLSAT ELEQVLYFNK YIVLDPKAAV LDAVPVEKRQ DATA SEQUENCE LLTDXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE IDARMGAEAI QELLKELDLE KLERELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDXXXXXXXX XXXXATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAV IDNGRRGSPV TNPGSERPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKAFAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGMAFATPEE ALAAYERGEV ALNAPIVVAG RETSVGRLKF VFANPDEALL DATA SEQUENCE AVAHGLLDLQ DTVTTRYLGR RLETSPGRIL FARIVGEAVG DEKVAQELIQ DATA SEQUENCE MDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTL STTSGITIGI DATA SEQUENCE DDAVIPEEKQ RYLEEADRKL RQIEQAYEMG FLTDRERYDQ VIQLWTETTE DATA SEQUENCE KVTQAVFNNF EENYPFNPLY VMAQSGARGN PQQIRQLCGM RGLMQKPSGE DATA SEQUENCE TFEVPVRSSF REGLTVLEYF ISSHGARKGG ADTALRTADS GYLTRKLVDV DATA SEQUENCE AHEIVVREAD CGTTNYISVP LFQMDEVTRT LRLRKRSDIE SGLYGRVLAR DATA SEQUENCE EVEALGRRLE EGRYLSLEDV HFLIKAAEAG EVREVPVRSP LTCQTRYGVC DATA SEQUENCE QKCYGYDLSM ARPVSIGEAV GVVAAESIGE PGTQLTMRTX XXXXXXXGTD DATA SEQUENCE ITQGLPRVIE LFEARRPKAK AVISEIDGVV RIEEGEDRLS VFVESEGFSK DATA SEQUENCE EYKLPKDARL LVKDGDYVEA GQPLTRGAID PHQLLEAKGP EAVERYLVDE DATA SEQUENCE IQKVYRAQGV KLHDKHIEIV VRQMLKYVEV TDPGDSRLLE GQVLEKWDVE DATA SEQUENCE ALNERLIAXX XVPVAWKPLL MGVTKSALST KSWLSAASFQ NTTHVLTEAA DATA SEQUENCE IAGKKDELIG LKENVILGRL IPAGTGSDFV RFTQVVDQRT LKAIE 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 2 ? HA 0.000 nan 9999.000 nan 0.000 0.000 2 ? C 0.000 9999.000 9999.000 -0.000 0.000 0.000 2 ? CA 0.000 9999.000 9999.000 -0.000 0.000 0.000 2 ? CB 0.000 9999.000 9999.000 -0.000 0.000 0.000 12 L N -2.773 118.359 121.223 -0.152 0.000 2.464 12 L HA 0.647 4.987 4.340 -0.000 0.000 0.266 12 L C -0.115 176.722 176.870 -0.055 0.000 0.965 12 L CA 0.485 55.256 54.840 -0.116 0.000 0.833 12 L CB 1.523 43.484 42.059 -0.164 0.000 1.296 12 L HN 1.049 nan 8.230 nan 0.000 0.405 13 A N 3.119 125.930 122.820 -0.015 0.000 2.273 13 A HA 0.690 5.010 4.320 -0.000 0.000 0.320 13 A C 0.033 177.634 177.584 0.028 0.000 1.358 13 A CA -0.366 51.674 52.037 0.004 0.000 0.910 13 A CB 0.066 19.071 19.000 0.008 0.000 1.159 13 A HN 0.713 nan 8.150 nan 0.000 0.526 14 S N 4.251 119.963 115.700 0.019 0.000 2.566 14 S HA 0.122 4.591 4.470 -0.000 0.000 0.280 14 S C -1.126 173.489 174.600 0.024 0.000 1.343 14 S CA -0.207 58.009 58.200 0.027 0.000 1.036 14 S CB 0.362 63.571 63.200 0.014 0.000 0.866 14 S HN 0.728 nan 8.310 nan 0.000 0.526 15 P HA -0.083 nan 4.420 nan 0.000 0.222 15 P C 1.035 178.341 177.300 0.010 0.000 1.147 15 P CA 1.529 64.640 63.100 0.018 0.000 0.790 15 P CB -0.022 31.686 31.700 0.013 0.000 0.780 16 E N 0.745 120.950 120.200 0.009 0.000 2.158 16 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 16 E C 2.278 178.880 176.600 0.003 0.000 0.982 16 E CA 1.776 58.178 56.400 0.004 0.000 0.823 16 E CB -1.403 28.299 29.700 0.004 0.000 0.766 16 E HN 0.404 nan 8.360 nan 0.000 0.468 17 K N 0.474 120.877 120.400 0.005 0.000 2.002 17 K HA 0.061 4.380 4.320 -0.000 0.000 0.209 17 K C 2.260 178.862 176.600 0.002 0.000 1.048 17 K CA 1.375 57.663 56.287 0.002 0.000 0.930 17 K CB -0.853 31.648 32.500 0.001 0.000 0.714 17 K HN 0.327 nan 8.250 nan 0.000 0.438 18 I N 1.125 121.698 120.570 0.006 0.000 2.113 18 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 18 I C 2.340 178.456 176.117 -0.002 0.000 1.064 18 I CA 1.630 62.933 61.300 0.004 0.000 1.320 18 I CB -0.377 37.629 38.000 0.009 0.000 1.028 18 I HN 0.374 nan 8.210 nan 0.000 0.406 70 A N -1.602 121.220 122.820 0.002 0.000 3.891 70 A HA -0.063 4.257 4.320 -0.000 0.000 0.247 70 A C 2.014 179.600 177.584 0.004 0.000 0.892 70 A CA 2.792 54.831 52.037 0.004 0.000 1.522 70 A CB -2.623 16.379 19.000 0.004 0.000 0.963 70 A HN 2.371 nan 8.150 nan 0.000 0.773 71 K N -0.397 120.004 120.400 0.002 0.000 2.555 71 K HA 0.730 5.050 4.320 -0.000 0.000 0.193 71 K C 1.970 178.570 176.600 0.001 0.000 1.032 71 K CA 1.770 58.057 56.287 0.001 0.000 1.004 71 K CB -1.922 30.578 32.500 -0.000 0.000 0.804 71 K HN 2.672 nan 8.250 nan 0.000 0.496 72 V N -3.467 116.448 119.914 0.001 0.000 3.471 72 V HA 0.191 4.311 4.120 -0.000 0.000 0.497 72 V C 0.213 176.305 176.094 -0.002 0.000 0.682 72 V CA -0.136 62.164 62.300 -0.000 0.000 2.046 72 V CB -2.029 29.794 31.823 -0.001 0.000 2.481 72 V HN 1.414 nan 8.190 nan 0.000 0.506 73 C N 3.415 122.713 119.300 -0.003 0.000 2.351 73 C HA 1.230 5.690 4.460 -0.000 0.000 0.326 73 C C 1.362 176.349 174.990 -0.006 0.000 1.272 73 C CA 1.294 60.309 59.018 -0.004 0.000 1.650 73 C CB 0.617 28.355 27.740 -0.003 0.000 2.257 73 C HN 3.007 nan 8.230 nan 0.000 0.505 74 E N 0.659 120.854 120.200 -0.008 0.000 2.230 74 E HA 0.441 4.791 4.350 -0.000 0.000 0.206 74 E C 0.114 176.705 176.600 -0.014 0.000 1.309 74 E CA 2.266 58.659 56.400 -0.011 0.000 0.697 74 E CB -2.199 27.494 29.700 -0.010 0.000 1.146 74 E HN 3.206 nan 8.360 nan 0.000 0.363 75 R N -2.948 117.544 120.500 -0.014 0.000 3.012 75 R HA 0.902 5.242 4.340 -0.000 0.000 0.287 75 R C 1.720 178.013 176.300 -0.013 0.000 0.990 75 R CA 0.962 57.052 56.100 -0.017 0.000 0.839 75 R CB -0.913 29.379 30.300 -0.014 0.000 1.317 75 R HN 2.227 nan 8.270 nan 0.000 0.518 76 C N -0.945 118.347 119.300 -0.014 0.000 4.389 76 C HA 0.344 4.804 4.460 -0.000 0.000 0.293 76 C C 1.205 176.190 174.990 -0.009 0.000 1.709 76 C CA 2.692 61.705 59.018 -0.009 0.000 2.050 76 C CB -2.075 25.663 27.740 -0.003 0.000 1.899 76 C HN 2.830 nan 8.230 nan 0.000 0.706 77 A N -3.415 119.399 122.820 -0.011 0.000 2.569 77 A HA 0.975 5.295 4.320 -0.000 0.000 0.292 77 A C 1.090 178.667 177.584 -0.011 0.000 1.032 77 A CA 1.438 53.469 52.037 -0.010 0.000 0.669 77 A CB -0.356 18.640 19.000 -0.007 0.000 1.290 77 A HN 2.566 nan 8.150 nan 0.000 0.422 78 V N -2.178 117.729 119.914 -0.010 0.000 0.434 78 V HA -0.186 3.934 4.120 -0.000 0.000 0.080 78 V C 1.428 177.515 176.094 -0.012 0.000 2.785 78 V CA 3.855 66.149 62.300 -0.010 0.000 3.814 78 V CB -2.340 29.477 31.823 -0.009 0.000 1.119 78 V HN 2.632 nan 8.190 nan 0.000 1.150 79 E N -1.327 118.864 120.200 -0.015 0.000 2.465 79 E HA 0.798 5.148 4.350 -0.000 0.000 0.209 79 E C 1.601 178.189 176.600 -0.021 0.000 0.951 79 E CA 1.639 58.028 56.400 -0.019 0.000 0.997 79 E CB 1.065 30.751 29.700 -0.023 0.000 1.025 79 E HN 2.687 nan 8.360 nan 0.000 0.500 80 V N -0.547 119.356 119.914 -0.019 0.000 2.637 80 V HA 0.710 4.830 4.120 -0.000 0.000 0.296 80 V C 0.874 176.960 176.094 -0.013 0.000 1.118 80 V CA 0.793 63.082 62.300 -0.018 0.000 1.230 80 V CB -0.358 31.452 31.823 -0.022 0.000 1.360 80 V HN 1.085 nan 8.190 nan 0.000 0.620 81 T N -0.305 114.242 114.554 -0.011 0.000 2.713 81 T HA 0.488 4.838 4.350 -0.000 0.000 0.765 81 T C 0.661 175.356 174.700 -0.008 0.000 1.011 81 T CA 2.614 64.709 62.100 -0.009 0.000 4.029 81 T CB -0.983 67.880 68.868 -0.008 0.000 2.320 81 T HN 2.944 nan 8.240 nan 0.000 0.392 82 R N -1.154 119.342 120.500 -0.007 0.000 2.907 82 R HA 0.961 5.301 4.340 -0.000 0.000 0.246 82 R C 1.164 177.461 176.300 -0.006 0.000 1.082 82 R CA 1.328 57.424 56.100 -0.006 0.000 1.003 82 R CB -0.793 29.503 30.300 -0.006 0.000 1.261 82 R HN 2.948 nan 8.270 nan 0.000 0.474 83 S N -2.000 113.697 115.700 -0.005 0.000 2.737 83 S HA 0.241 4.710 4.470 -0.000 0.000 0.276 83 S C 1.476 176.073 174.600 -0.005 0.000 1.330 83 S CA 3.936 62.134 58.200 -0.004 0.000 1.391 83 S CB -2.555 60.642 63.200 -0.004 0.000 1.758 83 S HN 2.816 nan 8.310 nan 0.000 0.734 84 I N -4.039 116.528 120.570 -0.005 0.000 2.529 84 I HA 1.001 5.171 4.170 -0.000 0.000 0.313 84 I C 0.476 176.589 176.117 -0.006 0.000 2.227 84 I CA 0.566 61.862 61.300 -0.005 0.000 0.966 84 I CB 0.349 38.346 38.000 -0.006 0.000 1.615 84 I HN 2.381 nan 8.210 nan 0.000 0.641 85 V N -2.497 117.414 119.914 -0.006 0.000 3.380 85 V HA 0.494 4.614 4.120 -0.000 0.000 0.486 85 V C 1.311 177.402 176.094 -0.006 0.000 0.682 85 V CA 2.274 64.570 62.300 -0.006 0.000 2.031 85 V CB -1.643 30.177 31.823 -0.006 0.000 2.477 85 V HN 3.157 nan 8.190 nan 0.000 0.503 86 R N 1.612 122.108 120.500 -0.006 0.000 2.507 86 R HA 0.535 4.875 4.340 -0.000 0.000 0.197 86 R C 2.070 178.366 176.300 -0.006 0.000 0.952 86 R CA 5.677 61.773 56.100 -0.007 0.000 0.778 86 R CB -1.007 29.290 30.300 -0.006 0.000 0.719 86 R HN 3.129 nan 8.270 nan 0.000 0.447 87 R N -5.368 115.128 120.500 -0.006 0.000 3.055 87 R HA 0.584 4.924 4.340 -0.000 0.000 0.091 87 R C 1.350 177.646 176.300 -0.007 0.000 0.481 87 R CA 1.536 57.632 56.100 -0.006 0.000 0.260 87 R CB -1.138 29.158 30.300 -0.006 0.000 0.447 87 R HN 2.645 nan 8.270 nan 0.000 0.315 88 Y N -2.397 117.898 120.300 -0.007 0.000 2.498 88 Y HA 0.437 4.987 4.550 -0.000 0.000 0.185 88 Y C 1.017 176.912 175.900 -0.008 0.000 1.692 88 Y CA 2.401 60.497 58.100 -0.007 0.000 1.425 88 Y CB -2.344 36.112 38.460 -0.006 0.000 2.071 88 Y HN 3.472 nan 8.280 nan 0.000 0.253 89 R N -2.206 118.288 120.500 -0.009 0.000 4.183 89 R HA 0.624 4.964 4.340 -0.000 0.000 0.302 89 R C 0.154 176.445 176.300 -0.015 0.000 0.241 89 R CA 2.557 58.650 56.100 -0.012 0.000 1.015 89 R CB -1.954 28.338 30.300 -0.013 0.000 1.175 89 R HN 3.677 nan 8.270 nan 0.000 0.468 90 M N -1.617 117.970 119.600 -0.021 0.000 2.853 90 M HA 0.982 5.462 4.480 -0.000 0.000 0.273 90 M C -0.134 176.140 176.300 -0.042 0.000 1.128 90 M CA 0.305 55.588 55.300 -0.028 0.000 0.814 90 M CB 0.387 32.975 32.600 -0.021 0.000 1.667 90 M HN 2.901 nan 8.290 nan 0.000 0.519 91 A N -0.219 122.563 122.820 -0.063 0.000 2.317 91 A HA 0.833 5.153 4.320 -0.000 0.000 0.327 91 A C 0.255 177.792 177.584 -0.079 0.000 1.178 91 A CA 0.411 52.395 52.037 -0.088 0.000 0.817 91 A CB -0.295 18.616 19.000 -0.149 0.000 1.189 91 A HN 2.825 nan 8.150 nan 0.000 0.489 92 H N 1.101 120.130 119.070 -0.067 0.000 2.467 92 H HA 0.575 5.131 4.556 -0.000 0.000 0.275 92 H C 0.710 176.009 175.328 -0.048 0.000 1.131 92 H CA 0.199 56.217 56.048 -0.049 0.000 0.989 92 H CB -1.167 28.576 29.762 -0.032 0.000 1.696 92 H HN 1.770 nan 8.280 nan 0.000 0.574 93 I N 1.659 122.188 120.570 -0.068 0.000 3.388 93 I HA 0.355 4.525 4.170 -0.000 0.000 0.298 93 I C 1.277 177.378 176.117 -0.026 0.000 1.238 93 I CA 1.040 62.310 61.300 -0.051 0.000 1.376 93 I CB -2.275 35.685 38.000 -0.066 0.000 1.470 93 I HN 0.886 nan 8.210 nan 0.000 0.547 94 E N 4.841 125.029 120.200 -0.019 0.000 2.482 94 E HA 0.516 4.866 4.350 -0.000 0.000 0.200 94 E C 1.431 178.028 176.600 -0.005 0.000 1.147 94 E CA 1.380 57.774 56.400 -0.011 0.000 0.912 94 E CB -1.894 27.800 29.700 -0.010 0.000 0.938 94 E HN 2.813 nan 8.360 nan 0.000 0.519 95 L N -2.714 118.508 121.223 -0.002 0.000 7.157 95 L HA 0.195 4.535 4.340 -0.000 0.000 0.086 95 L C 0.881 177.752 176.870 0.001 0.000 1.328 95 L CA 1.485 56.327 54.840 0.004 0.000 1.636 95 L CB -1.400 40.663 42.059 0.007 0.000 2.707 95 L HN 2.072 nan 8.230 nan 0.000 1.092 96 A N -1.198 121.623 122.820 0.002 0.000 2.475 96 A HA 0.914 5.234 4.320 -0.000 0.000 0.300 96 A C 1.088 178.671 177.584 -0.002 0.000 1.089 96 A CA 1.471 53.508 52.037 -0.000 0.000 0.948 96 A CB -0.077 18.923 19.000 0.000 0.000 1.508 96 A HN 3.609 nan 8.150 nan 0.000 0.385 97 T N -0.668 113.883 114.554 -0.004 0.000 3.580 97 T HA 0.422 4.772 4.350 -0.000 0.000 0.402 97 T C -0.767 173.928 174.700 -0.007 0.000 0.765 97 T CA 2.124 64.220 62.100 -0.006 0.000 2.064 97 T CB -2.352 66.513 68.868 -0.006 0.000 1.724 97 T HN 2.418 nan 8.240 nan 0.000 0.719 98 P HA 1.125 nan 4.420 nan 0.000 0.296 98 P C -0.917 176.377 177.300 -0.009 0.000 1.064 98 P CA 1.016 64.111 63.100 -0.008 0.000 1.433 98 P CB 1.189 32.889 31.700 -0.001 0.000 1.858 99 A N -1.741 121.074 122.820 -0.008 0.000 2.799 99 A HA 1.061 5.381 4.320 -0.000 0.000 0.308 99 A C -1.346 176.239 177.584 0.001 0.000 1.108 99 A CA 0.214 52.246 52.037 -0.007 0.000 0.600 99 A CB 0.175 19.157 19.000 -0.030 0.000 1.452 99 A HN 1.986 nan 8.150 nan 0.000 0.617 100 A N -1.788 121.034 122.820 0.004 0.000 2.511 100 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 100 A C -0.406 177.195 177.584 0.029 0.000 1.045 100 A CA 0.720 52.767 52.037 0.017 0.000 0.870 100 A CB -0.536 18.485 19.000 0.035 0.000 1.361 100 A HN 2.583 nan 8.150 nan 0.000 0.396 101 H N 1.411 120.492 119.070 0.018 0.000 2.770 101 H HA 0.546 5.102 4.556 -0.000 0.000 0.315 101 H C 1.254 176.632 175.328 0.084 0.000 1.127 101 H CA 1.126 57.199 56.048 0.042 0.000 1.155 101 H CB -0.639 29.121 29.762 -0.003 0.000 1.397 101 H HN 1.607 nan 8.280 nan 0.000 0.538 102 I N -2.236 118.384 120.570 0.084 0.000 2.731 102 I HA 0.232 4.402 4.170 -0.000 0.000 0.260 102 I C 2.219 178.398 176.117 0.104 0.000 1.138 102 I CA 0.964 62.311 61.300 0.078 0.000 1.461 102 I CB -1.376 36.659 38.000 0.058 0.000 1.128 102 I HN 0.940 nan 8.210 nan 0.000 0.438 103 W N 0.066 121.444 121.300 0.130 0.000 2.423 103 W HA 0.603 5.263 4.660 -0.000 0.000 0.447 103 W C 0.412 177.052 176.519 0.202 0.000 0.711 103 W CA -0.538 56.892 57.345 0.141 0.000 2.283 103 W CB -1.779 27.767 29.460 0.143 0.000 0.914 103 W HN 2.119 nan 8.180 nan 0.000 0.641 104 F N -1.780 118.287 119.950 0.194 0.000 2.168 104 F HA 0.359 4.886 4.527 -0.000 0.000 0.530 104 F C 0.560 176.620 175.800 0.433 0.000 1.299 104 F CA -1.039 57.101 58.000 0.233 0.000 1.698 104 F CB -1.253 37.815 39.000 0.113 0.000 2.719 104 F HN 1.421 nan 8.300 nan 0.000 0.722 105 V N 1.193 121.252 119.914 0.241 0.000 3.048 105 V HA 0.368 4.488 4.120 -0.000 0.000 0.241 105 V C 1.932 178.125 176.094 0.166 0.000 1.129 105 V CA 2.225 64.642 62.300 0.196 0.000 1.128 105 V CB -0.578 31.299 31.823 0.090 0.000 0.849 105 V HN 2.266 nan 8.190 nan 0.000 0.475 106 K N 0.748 121.208 120.400 0.101 0.000 2.026 106 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 106 K C 2.077 178.718 176.600 0.069 0.000 1.048 106 K CA 2.622 58.936 56.287 0.046 0.000 0.929 106 K CB -1.959 30.530 32.500 -0.017 0.000 0.713 106 K HN 0.939 nan 8.250 nan 0.000 0.439 107 D N 0.264 120.712 120.400 0.081 0.000 2.149 107 D HA 0.011 4.651 4.640 -0.000 0.000 0.194 107 D C 2.328 178.776 176.300 0.247 0.000 1.001 107 D CA 3.013 57.032 54.000 0.033 0.000 0.849 107 D CB -1.025 39.630 40.800 -0.241 0.000 0.939 107 D HN 0.708 nan 8.370 nan 0.000 0.449 108 V N 0.139 120.365 119.914 0.521 0.000 2.270 108 V HA 0.205 4.325 4.120 -0.000 0.000 0.245 108 V C 1.449 177.570 176.094 0.044 0.000 1.043 108 V CA 2.826 65.235 62.300 0.183 0.000 1.014 108 V CB -1.593 30.181 31.823 -0.080 0.000 0.645 108 V HN 0.543 nan 8.190 nan 0.000 0.447 109 P HA -0.048 nan 4.420 nan 0.000 0.223 109 P C 1.812 179.107 177.300 -0.008 0.000 1.144 109 P CA 2.960 66.064 63.100 0.007 0.000 0.783 109 P CB -0.309 31.396 31.700 0.009 0.000 0.771 110 S N -0.558 115.135 115.700 -0.012 0.000 2.384 110 S HA 0.286 4.756 4.470 -0.000 0.000 0.217 110 S C 2.121 176.690 174.600 -0.051 0.000 1.041 110 S CA 1.568 59.746 58.200 -0.036 0.000 0.948 110 S CB -0.710 62.457 63.200 -0.055 0.000 0.872 110 S HN 0.427 nan 8.310 nan 0.000 0.512 111 K N 0.628 120.980 120.400 -0.080 0.000 2.795 111 K HA 0.567 4.887 4.320 -0.000 0.000 0.223 111 K C 0.544 177.113 176.600 -0.052 0.000 0.965 111 K CA 0.911 57.142 56.287 -0.094 0.000 1.092 111 K CB -1.989 30.403 32.500 -0.180 0.000 0.900 111 K HN 1.719 nan 8.250 nan 0.000 0.483 112 I N -3.263 117.284 120.570 -0.039 0.000 2.524 112 I HA 0.649 4.819 4.170 -0.000 0.000 0.302 112 I C 0.852 176.953 176.117 -0.026 0.000 1.732 112 I CA -0.177 61.104 61.300 -0.031 0.000 0.784 112 I CB -1.228 36.749 38.000 -0.038 0.000 1.802 112 I HN 1.158 nan 8.210 nan 0.000 0.508 113 A N 0.926 123.733 122.820 -0.021 0.000 2.470 113 A HA 0.177 4.496 4.320 -0.000 0.000 0.327 113 A C 1.123 178.697 177.584 -0.017 0.000 1.466 113 A CA 2.396 54.423 52.037 -0.017 0.000 1.055 113 A CB -1.732 17.260 19.000 -0.014 0.000 0.925 113 A HN 2.757 nan 8.150 nan 0.000 0.391 114 T N -1.098 113.444 114.554 -0.019 0.000 2.947 114 T HA 0.722 5.072 4.350 -0.000 0.000 0.337 114 T C -0.366 174.325 174.700 -0.015 0.000 1.139 114 T CA 0.394 62.482 62.100 -0.019 0.000 0.992 114 T CB 0.093 68.945 68.868 -0.026 0.000 1.043 114 T HN 1.899 nan 8.240 nan 0.000 0.498 115 L N 1.408 122.624 121.223 -0.011 0.000 2.381 115 L HA 0.937 5.277 4.340 -0.000 0.000 0.268 115 L C 1.783 178.648 176.870 -0.007 0.000 0.997 115 L CA -0.257 54.578 54.840 -0.008 0.000 0.818 115 L CB 0.147 42.201 42.059 -0.008 0.000 1.310 115 L HN 2.361 nan 8.230 nan 0.000 0.416 116 L N -0.530 120.690 121.223 -0.005 0.000 5.188 116 L HA -0.290 4.050 4.340 -0.000 0.000 0.431 116 L C 1.448 178.314 176.870 -0.006 0.000 1.017 116 L CA 3.469 58.307 54.840 -0.005 0.000 1.195 116 L CB -2.655 39.401 42.059 -0.004 0.000 1.860 116 L HN 2.106 nan 8.230 nan 0.000 0.691 117 D N -2.386 118.009 120.400 -0.009 0.000 2.338 117 D HA 0.591 5.231 4.640 -0.000 0.000 0.224 117 D C 2.440 178.732 176.300 -0.014 0.000 0.967 117 D CA 2.221 56.215 54.000 -0.011 0.000 0.896 117 D CB -0.265 40.528 40.800 -0.013 0.000 1.028 117 D HN 2.185 nan 8.370 nan 0.000 0.493 118 L N 0.143 121.357 121.223 -0.015 0.000 2.642 118 L HA 0.512 4.852 4.340 -0.000 0.000 0.236 118 L C 2.688 179.550 176.870 -0.014 0.000 1.169 118 L CA 2.372 57.200 54.840 -0.020 0.000 0.851 118 L CB -1.801 40.245 42.059 -0.022 0.000 0.968 118 L HN 0.610 nan 8.230 nan 0.000 0.453 119 S N -1.272 114.422 115.700 -0.009 0.000 2.501 119 S HA 0.457 4.927 4.470 -0.000 0.000 0.220 119 S C 2.251 176.846 174.600 -0.007 0.000 0.997 119 S CA 1.297 59.494 58.200 -0.006 0.000 0.919 119 S CB -0.103 63.096 63.200 -0.003 0.000 0.778 119 S HN 0.989 nan 8.310 nan 0.000 0.523 120 A N 0.764 123.578 122.820 -0.010 0.000 1.859 120 A HA 0.395 4.715 4.320 -0.000 0.000 0.212 120 A C 2.496 180.073 177.584 -0.013 0.000 1.238 120 A CA 2.007 54.038 52.037 -0.010 0.000 0.613 120 A CB -1.460 17.534 19.000 -0.010 0.000 0.904 120 A HN 0.507 nan 8.150 nan 0.000 0.457 121 T N -0.895 113.649 114.554 -0.017 0.000 2.788 121 T HA 0.062 4.412 4.350 -0.000 0.000 0.268 121 T C 1.897 176.583 174.700 -0.023 0.000 1.044 121 T CA 2.999 65.086 62.100 -0.021 0.000 1.139 121 T CB -0.710 68.142 68.868 -0.026 0.000 0.867 121 T HN 0.613 nan 8.240 nan 0.000 0.454 122 E N 0.273 120.458 120.200 -0.024 0.000 2.150 122 E HA 0.378 4.728 4.350 -0.000 0.000 0.193 122 E C 2.209 178.800 176.600 -0.016 0.000 0.985 122 E CA 1.286 57.671 56.400 -0.025 0.000 0.814 122 E CB -1.219 28.467 29.700 -0.025 0.000 0.752 122 E HN 1.049 nan 8.360 nan 0.000 0.466 123 L N -0.367 120.849 121.223 -0.011 0.000 2.645 123 L HA 0.673 5.013 4.340 -0.000 0.000 0.234 123 L C 1.476 178.342 176.870 -0.008 0.000 1.165 123 L CA 1.807 56.643 54.840 -0.007 0.000 0.944 123 L CB -1.775 40.281 42.059 -0.004 0.000 1.149 123 L HN 1.141 nan 8.230 nan 0.000 0.446 124 E N -1.531 118.663 120.200 -0.011 0.000 2.369 124 E HA 0.216 4.566 4.350 -0.000 0.000 0.165 124 E C 0.377 176.972 176.600 -0.008 0.000 1.622 124 E CA 1.451 57.845 56.400 -0.010 0.000 0.660 124 E CB -2.698 26.996 29.700 -0.009 0.000 1.085 124 E HN 2.566 nan 8.360 nan 0.000 0.346 125 Q N -3.536 116.259 119.800 -0.009 0.000 2.171 125 Q HA 0.747 5.087 4.340 -0.000 0.000 0.230 125 Q C 0.925 176.920 176.000 -0.008 0.000 0.748 125 Q CA 1.269 57.068 55.803 -0.007 0.000 1.003 125 Q CB -0.780 27.955 28.738 -0.006 0.000 1.351 125 Q HN 2.293 nan 8.270 nan 0.000 0.368 126 V N -2.379 117.529 119.914 -0.009 0.000 5.773 126 V HA 0.948 5.068 4.120 -0.000 0.000 0.097 126 V C 0.252 176.340 176.094 -0.010 0.000 1.006 126 V CA 0.990 63.285 62.300 -0.009 0.000 1.103 126 V CB 0.336 32.153 31.823 -0.010 0.000 1.712 126 V HN 2.046 nan 8.190 nan 0.000 0.617 127 L N -1.655 119.561 121.223 -0.012 0.000 4.846 127 L HA 0.602 4.942 4.340 -0.000 0.000 0.248 127 L C 0.317 177.179 176.870 -0.015 0.000 1.110 127 L CA 0.171 55.004 54.840 -0.012 0.000 1.271 127 L CB -1.395 40.658 42.059 -0.010 0.000 1.907 127 L HN 2.201 nan 8.230 nan 0.000 0.624 128 Y N 1.780 122.070 120.300 -0.017 0.000 2.176 128 Y HA 0.643 5.193 4.550 -0.000 0.000 0.291 128 Y C 2.674 178.563 175.900 -0.019 0.000 1.122 128 Y CA 2.555 60.642 58.100 -0.021 0.000 1.128 128 Y CB -0.886 37.559 38.460 -0.025 0.000 1.005 128 Y HN 2.810 nan 8.280 nan 0.000 0.509 129 F N -1.845 118.095 119.950 -0.017 0.000 2.183 129 F HA 0.210 4.737 4.527 -0.000 0.000 0.318 129 F C 0.978 176.768 175.800 -0.016 0.000 0.727 129 F CA 1.669 59.660 58.000 -0.015 0.000 0.912 129 F CB -1.748 37.245 39.000 -0.013 0.000 4.135 129 F HN 2.139 nan 8.300 nan 0.000 0.137 130 N N -3.249 115.443 118.700 -0.014 0.000 2.472 130 N HA 0.567 5.307 4.740 -0.000 0.000 0.189 130 N C 0.764 176.267 175.510 -0.011 0.000 1.657 130 N CA 1.595 54.637 53.050 -0.014 0.000 3.276 130 N CB -1.695 36.782 38.487 -0.017 0.000 1.506 130 N HN 2.915 nan 8.380 nan 0.000 1.128 131 K N 0.628 121.023 120.400 -0.010 0.000 2.334 131 K HA 0.792 5.112 4.320 -0.000 0.000 0.265 131 K C 0.423 177.019 176.600 -0.007 0.000 1.039 131 K CA 0.165 56.448 56.287 -0.008 0.000 0.920 131 K CB -1.099 31.396 32.500 -0.008 0.000 1.160 131 K HN 1.856 nan 8.250 nan 0.000 0.451 132 Y N 0.005 120.301 120.300 -0.006 0.000 2.648 132 Y HA 0.443 4.993 4.550 -0.000 0.000 0.353 132 Y C 1.457 177.355 175.900 -0.005 0.000 1.271 132 Y CA 1.039 59.136 58.100 -0.005 0.000 1.483 132 Y CB -0.142 38.315 38.460 -0.004 0.000 1.359 132 Y HN 1.602 nan 8.280 nan 0.000 0.669 133 I N -1.296 119.272 120.570 -0.004 0.000 3.200 133 I HA 0.663 4.833 4.170 -0.000 0.000 0.245 133 I C 0.967 177.082 176.117 -0.003 0.000 0.642 133 I CA 0.649 61.947 61.300 -0.004 0.000 2.646 133 I CB 0.274 38.272 38.000 -0.004 0.000 1.288 133 I HN 1.810 nan 8.210 nan 0.000 0.463 134 V N -0.962 118.950 119.914 -0.003 0.000 4.960 134 V HA 1.035 5.155 4.120 -0.000 0.000 0.172 134 V C 0.706 176.799 176.094 -0.003 0.000 1.014 134 V CA 1.476 63.774 62.300 -0.003 0.000 1.452 134 V CB 0.605 32.426 31.823 -0.003 0.000 2.245 134 V HN 2.820 nan 8.190 nan 0.000 0.371 135 L N -2.271 118.950 121.223 -0.003 0.000 3.076 135 L HA 0.641 4.981 4.340 -0.000 0.000 0.240 135 L C -0.044 176.825 176.870 -0.003 0.000 0.982 135 L CA 0.798 55.636 54.840 -0.003 0.000 1.030 135 L CB 0.342 42.399 42.059 -0.003 0.000 1.560 135 L HN 1.299 nan 8.230 nan 0.000 0.432 136 D N -0.634 119.764 120.400 -0.003 0.000 2.349 136 D HA 0.726 5.366 4.640 -0.000 0.000 0.214 136 D C -0.138 176.160 176.300 -0.003 0.000 1.063 136 D CA 1.830 55.828 54.000 -0.003 0.000 0.847 136 D CB 0.784 41.582 40.800 -0.003 0.000 0.933 136 D HN 2.184 nan 8.370 nan 0.000 0.513 137 P HA 0.357 nan 4.420 nan 0.000 0.535 137 P C 1.440 178.738 177.300 -0.002 0.000 0.619 137 P CA 1.582 64.681 63.100 -0.002 0.000 2.509 137 P CB -0.190 31.508 31.700 -0.002 0.000 1.141 138 K N -0.482 119.916 120.400 -0.002 0.000 2.183 138 K HA 0.869 5.189 4.320 -0.000 0.000 0.218 138 K C 1.536 178.135 176.600 -0.002 0.000 1.025 138 K CA 2.413 58.699 56.287 -0.002 0.000 0.944 138 K CB -0.598 31.900 32.500 -0.003 0.000 0.936 138 K HN 1.242 nan 8.250 nan 0.000 0.460 139 A N -1.662 121.157 122.820 -0.003 0.000 5.139 139 A HA 0.802 5.122 4.320 -0.000 0.000 0.164 139 A C -1.100 176.482 177.584 -0.003 0.000 0.803 139 A CA 0.211 52.246 52.037 -0.003 0.000 1.038 139 A CB 0.039 19.038 19.000 -0.003 0.000 2.123 139 A HN 1.758 nan 8.150 nan 0.000 0.998 140 A N -2.070 120.747 122.820 -0.004 0.000 2.566 140 A HA 0.919 5.239 4.320 -0.000 0.000 0.297 140 A C -0.820 176.761 177.584 -0.005 0.000 1.059 140 A CA 0.182 52.217 52.037 -0.004 0.000 0.691 140 A CB 0.705 19.702 19.000 -0.004 0.000 1.282 140 A HN 2.495 nan 8.150 nan 0.000 0.401 141 V N -0.293 119.617 119.914 -0.005 0.000 3.178 141 V HA 0.844 4.963 4.120 -0.000 0.000 0.302 141 V C 0.409 176.499 176.094 -0.007 0.000 1.262 141 V CA -0.350 61.947 62.300 -0.006 0.000 1.030 141 V CB 1.602 33.422 31.823 -0.005 0.000 1.074 141 V HN 2.369 nan 8.190 nan 0.000 0.438 142 L N 1.619 122.838 121.223 -0.008 0.000 2.450 142 L HA 0.613 4.953 4.340 -0.000 0.000 0.256 142 L C 0.633 177.496 176.870 -0.012 0.000 1.374 142 L CA 2.217 57.051 54.840 -0.010 0.000 1.210 142 L CB -1.807 40.246 42.059 -0.010 0.000 1.394 142 L HN 2.018 nan 8.230 nan 0.000 0.438 143 D N -0.098 120.294 120.400 -0.012 0.000 1.502 143 D HA 0.433 5.072 4.640 -0.000 0.000 0.842 143 D C 1.109 177.402 176.300 -0.011 0.000 0.381 143 D CA 0.441 54.433 54.000 -0.013 0.000 1.367 143 D CB -0.997 39.796 40.800 -0.012 0.000 0.980 143 D HN 2.099 nan 8.370 nan 0.000 0.382 144 A N 0.535 123.349 122.820 -0.010 0.000 2.504 144 A HA 0.503 4.823 4.320 -0.000 0.000 0.280 144 A C 1.023 178.601 177.584 -0.009 0.000 1.125 144 A CA 1.080 53.112 52.037 -0.008 0.000 0.873 144 A CB -1.315 17.680 19.000 -0.007 0.000 0.997 144 A HN 1.868 nan 8.150 nan 0.000 0.542 145 V N 3.904 123.813 119.914 -0.009 0.000 2.223 145 V HA 0.544 4.664 4.120 -0.000 0.000 0.249 145 V C -0.380 175.709 176.094 -0.008 0.000 1.233 145 V CA -0.541 61.753 62.300 -0.010 0.000 1.131 145 V CB -0.917 30.899 31.823 -0.011 0.000 1.298 145 V HN 0.938 nan 8.190 nan 0.000 0.498 146 P HA 0.689 nan 4.420 nan 0.000 0.272 146 P C 0.157 177.453 177.300 -0.007 0.000 1.254 146 P CA 0.933 64.029 63.100 -0.007 0.000 0.795 146 P CB 0.758 32.455 31.700 -0.006 0.000 1.022 147 V N -0.584 119.326 119.914 -0.006 0.000 3.441 147 V HA 0.542 4.661 4.120 -0.000 0.000 0.300 147 V C 2.089 178.179 176.094 -0.005 0.000 1.062 147 V CA 0.882 63.179 62.300 -0.005 0.000 1.064 147 V CB -0.637 31.183 31.823 -0.005 0.000 1.197 147 V HN 0.870 nan 8.190 nan 0.000 0.451 148 E N 0.454 120.651 120.200 -0.005 0.000 2.171 148 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 148 E C 2.083 178.680 176.600 -0.005 0.000 0.997 148 E CA 3.230 59.627 56.400 -0.005 0.000 0.810 148 E CB -0.966 28.732 29.700 -0.004 0.000 0.738 148 E HN 1.323 nan 8.360 nan 0.000 0.467 149 K N -0.623 119.775 120.400 -0.004 0.000 2.121 149 K HA 0.322 4.642 4.320 -0.000 0.000 0.203 149 K C 2.680 179.277 176.600 -0.004 0.000 1.041 149 K CA 1.704 57.989 56.287 -0.004 0.000 0.969 149 K CB -1.248 31.250 32.500 -0.003 0.000 0.799 149 K HN 0.694 nan 8.250 nan 0.000 0.456 150 R N 0.826 121.323 120.500 -0.004 0.000 2.350 150 R HA -0.147 4.193 4.340 -0.000 0.000 0.246 150 R C 2.593 178.890 176.300 -0.005 0.000 1.182 150 R CA 2.715 58.812 56.100 -0.004 0.000 1.030 150 R CB -2.049 28.249 30.300 -0.005 0.000 0.861 150 R HN 0.876 nan 8.270 nan 0.000 0.483 151 Q N -1.223 118.574 119.800 -0.005 0.000 2.013 151 Q HA 0.371 4.711 4.340 -0.000 0.000 0.195 151 Q C 3.042 179.040 176.000 -0.005 0.000 0.974 151 Q CA 2.195 57.994 55.803 -0.005 0.000 0.826 151 Q CB -1.176 27.558 28.738 -0.006 0.000 0.895 151 Q HN 1.222 nan 8.270 nan 0.000 0.448 152 L N 0.796 122.016 121.223 -0.004 0.000 2.103 152 L HA 0.019 4.359 4.340 -0.000 0.000 0.215 152 L C 3.283 180.150 176.870 -0.004 0.000 1.080 152 L CA 3.894 58.731 54.840 -0.004 0.000 0.764 152 L CB -2.402 39.655 42.059 -0.004 0.000 0.890 152 L HN 1.101 nan 8.230 nan 0.000 0.435 153 L N -1.004 120.217 121.223 -0.004 0.000 1.971 153 L HA -0.069 4.271 4.340 -0.000 0.000 0.215 153 L C 2.982 179.850 176.870 -0.003 0.000 1.072 153 L CA 3.881 58.719 54.840 -0.003 0.000 0.758 153 L CB -2.194 39.863 42.059 -0.003 0.000 0.889 153 L HN 0.851 nan 8.230 nan 0.000 0.433 154 T N -1.116 113.435 114.554 -0.004 0.000 3.219 154 T HA 0.344 4.694 4.350 -0.000 0.000 0.264 154 T C 0.741 175.439 174.700 -0.004 0.000 1.178 154 T CA 1.414 63.512 62.100 -0.004 0.000 1.057 154 T CB -1.723 67.143 68.868 -0.004 0.000 0.919 154 T HN 1.086 nan 8.240 nan 0.000 0.545 453 D N 2.005 122.402 120.400 -0.005 0.000 2.158 453 D HA 0.995 5.635 4.640 -0.000 0.000 0.275 453 D C 0.864 177.160 176.300 -0.007 0.000 1.170 453 D CA 1.306 55.302 54.000 -0.006 0.000 1.007 453 D CB 0.421 41.217 40.800 -0.006 0.000 1.144 453 D HN 2.614 nan 8.370 nan 0.000 0.509 454 A N -2.800 120.016 122.820 -0.008 0.000 3.042 454 A HA 1.001 5.321 4.320 -0.000 0.000 0.229 454 A C 0.504 178.081 177.584 -0.011 0.000 1.185 454 A CA 0.811 52.842 52.037 -0.010 0.000 0.844 454 A CB 0.432 19.426 19.000 -0.010 0.000 1.403 454 A HN 1.575 nan 8.150 nan 0.000 0.555 455 R N -1.225 119.267 120.500 -0.013 0.000 2.846 455 R HA 0.926 5.266 4.340 -0.000 0.000 0.263 455 R C -0.724 175.566 176.300 -0.016 0.000 1.080 455 R CA 0.089 56.181 56.100 -0.014 0.000 0.961 455 R CB 0.990 31.280 30.300 -0.016 0.000 1.231 455 R HN 1.457 nan 8.270 nan 0.000 0.465 456 M N -0.485 119.105 119.600 -0.017 0.000 2.721 456 M HA 0.628 5.108 4.480 -0.000 0.000 0.271 456 M C -0.321 175.967 176.300 -0.021 0.000 1.259 456 M CA 0.599 55.888 55.300 -0.019 0.000 0.835 456 M CB 2.211 34.802 32.600 -0.015 0.000 1.689 456 M HN 2.132 nan 8.290 nan 0.000 0.470 457 G N 0.786 109.572 108.800 -0.023 0.000 2.655 457 G HA2 0.051 4.011 3.960 -0.000 0.000 0.680 457 G HA3 0.051 4.011 3.960 -0.000 0.000 0.680 457 G C 0.062 174.942 174.900 -0.034 0.000 1.302 457 G CA -0.117 44.968 45.100 -0.024 0.000 0.872 457 G HN 1.425 nan 8.290 nan 0.000 0.540 458 A N -0.703 122.095 122.820 -0.036 0.000 1.969 458 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 458 A C 2.046 179.595 177.584 -0.059 0.000 1.169 458 A CA 2.356 54.362 52.037 -0.052 0.000 0.635 458 A CB -0.404 18.569 19.000 -0.045 0.000 0.810 458 A HN 1.055 nan 8.150 nan 0.000 0.445 459 E N -0.048 120.126 120.200 -0.043 0.000 2.150 459 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 459 E C 2.045 178.619 176.600 -0.044 0.000 0.985 459 E CA 0.872 57.247 56.400 -0.041 0.000 0.814 459 E CB -0.211 29.472 29.700 -0.029 0.000 0.752 459 E HN 0.562 nan 8.360 nan 0.000 0.466 460 A N 1.328 124.124 122.820 -0.041 0.000 1.841 460 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 460 A C 2.059 179.613 177.584 -0.051 0.000 1.195 460 A CA 1.330 53.344 52.037 -0.039 0.000 0.611 460 A CB -0.499 18.482 19.000 -0.033 0.000 0.835 460 A HN 0.295 nan 8.150 nan 0.000 0.443 461 I N 0.307 120.839 120.570 -0.064 0.000 2.208 461 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 461 I C 2.605 178.659 176.117 -0.105 0.000 1.097 461 I CA 1.878 63.127 61.300 -0.085 0.000 1.363 461 I CB -1.719 36.219 38.000 -0.103 0.000 1.051 461 I HN 0.593 nan 8.210 nan 0.000 0.413 462 Q N 1.168 120.903 119.800 -0.108 0.000 1.985 462 Q HA -0.294 4.046 4.340 -0.000 0.000 0.207 462 Q C 2.253 178.205 176.000 -0.079 0.000 0.996 462 Q CA 2.524 58.259 55.803 -0.114 0.000 0.851 462 Q CB -0.206 28.478 28.738 -0.089 0.000 0.921 462 Q HN 0.564 nan 8.270 nan 0.000 0.418 463 E N 0.031 120.197 120.200 -0.056 0.000 2.082 463 E HA -0.280 4.070 4.350 -0.000 0.000 0.215 463 E C 2.156 178.733 176.600 -0.039 0.000 1.048 463 E CA 2.037 58.414 56.400 -0.039 0.000 0.869 463 E CB -0.429 29.252 29.700 -0.032 0.000 0.773 463 E HN 0.494 nan 8.360 nan 0.000 0.466 464 L N -0.057 121.139 121.223 -0.044 0.000 2.010 464 L HA -0.293 4.047 4.340 -0.000 0.000 0.219 464 L C 2.776 179.622 176.870 -0.041 0.000 1.077 464 L CA 1.301 56.117 54.840 -0.040 0.000 0.773 464 L CB -0.592 41.439 42.059 -0.048 0.000 0.892 464 L HN 0.267 nan 8.230 nan 0.000 0.436 465 L N 0.286 121.470 121.223 -0.065 0.000 1.948 465 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 465 L C 1.863 178.723 176.870 -0.018 0.000 1.074 465 L CA 2.026 56.832 54.840 -0.057 0.000 0.753 465 L CB -1.127 40.853 42.059 -0.132 0.000 0.888 465 L HN 0.203 nan 8.230 nan 0.000 0.432 466 K N 0.041 120.424 120.400 -0.028 0.000 2.402 466 K HA 0.354 4.674 4.320 -0.000 0.000 0.265 466 K C 1.349 177.951 176.600 0.002 0.000 0.978 466 K CA 1.011 57.296 56.287 -0.004 0.000 0.913 466 K CB -1.201 31.290 32.500 -0.014 0.000 0.954 466 K HN 0.476 nan 8.250 nan 0.000 0.511 467 E N -2.132 118.076 120.200 0.012 0.000 4.378 467 E HA -0.291 4.058 4.350 -0.000 0.000 0.197 467 E C 2.634 179.241 176.600 0.012 0.000 1.332 467 E CA 4.491 60.897 56.400 0.011 0.000 2.223 467 E CB -2.488 27.214 29.700 0.004 0.000 1.908 467 E HN 2.335 nan 8.360 nan 0.000 0.292 468 L N 1.969 123.194 121.223 0.004 0.000 1.998 468 L HA -0.143 4.197 4.340 -0.000 0.000 0.244 468 L C 2.636 179.512 176.870 0.010 0.000 1.083 468 L CA 4.189 59.031 54.840 0.003 0.000 0.866 468 L CB -1.797 40.258 42.059 -0.006 0.000 0.918 468 L HN 1.242 nan 8.230 nan 0.000 0.426 469 D N 0.399 120.804 120.400 0.008 0.000 2.357 469 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 469 D C 2.019 178.339 176.300 0.035 0.000 0.973 469 D CA 2.058 56.068 54.000 0.016 0.000 0.912 469 D CB -0.647 40.157 40.800 0.007 0.000 0.900 469 D HN 0.950 nan 8.370 nan 0.000 0.501 470 L N 1.306 122.552 121.223 0.039 0.000 2.357 470 L HA -0.155 4.185 4.340 -0.000 0.000 0.220 470 L C 1.901 178.803 176.870 0.054 0.000 1.123 470 L CA 2.150 57.025 54.840 0.058 0.000 0.782 470 L CB -1.837 40.250 42.059 0.047 0.000 0.910 470 L HN 0.444 nan 8.230 nan 0.000 0.442 471 E N 0.085 120.307 120.200 0.038 0.000 1.972 471 E HA 0.392 4.742 4.350 -0.000 0.000 0.292 471 E C 1.262 177.885 176.600 0.039 0.000 1.193 471 E CA 0.271 56.692 56.400 0.034 0.000 1.228 471 E CB -0.079 29.635 29.700 0.024 0.000 1.167 471 E HN 0.581 nan 8.360 nan 0.000 0.479 472 K N 2.713 123.145 120.400 0.053 0.000 2.062 472 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 472 K C 1.848 178.477 176.600 0.048 0.000 1.051 472 K CA 1.042 57.364 56.287 0.058 0.000 0.941 472 K CB -0.956 31.597 32.500 0.090 0.000 0.719 472 K HN 0.442 nan 8.250 nan 0.000 0.440 473 L N 0.688 121.939 121.223 0.046 0.000 2.211 473 L HA -0.323 4.017 4.340 -0.000 0.000 0.216 473 L C 2.669 179.558 176.870 0.031 0.000 1.092 473 L CA 1.994 56.857 54.840 0.038 0.000 0.767 473 L CB -0.407 41.672 42.059 0.033 0.000 0.894 473 L HN 0.559 nan 8.230 nan 0.000 0.437 474 E N -0.639 119.578 120.200 0.028 0.000 2.033 474 E HA -0.125 4.225 4.350 -0.000 0.000 0.189 474 E C 2.249 178.862 176.600 0.022 0.000 0.979 474 E CA 0.429 56.842 56.400 0.022 0.000 0.802 474 E CB 0.010 29.721 29.700 0.019 0.000 0.763 474 E HN 0.312 nan 8.360 nan 0.000 0.449 475 R N 0.639 121.153 120.500 0.024 0.000 2.200 475 R HA -0.140 4.199 4.340 -0.000 0.000 0.234 475 R C 2.220 178.533 176.300 0.022 0.000 1.127 475 R CA 1.380 57.492 56.100 0.020 0.000 0.989 475 R CB -0.965 29.348 30.300 0.020 0.000 0.869 475 R HN 0.378 nan 8.270 nan 0.000 0.459 476 E N 1.222 121.439 120.200 0.028 0.000 2.001 476 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 476 E C 1.900 178.515 176.600 0.025 0.000 1.002 476 E CA 1.393 57.812 56.400 0.031 0.000 0.819 476 E CB -0.737 28.985 29.700 0.036 0.000 0.769 476 E HN 0.178 nan 8.360 nan 0.000 0.454 477 L N 0.509 121.746 121.223 0.023 0.000 2.376 477 L HA 0.159 4.499 4.340 -0.000 0.000 0.219 477 L C 2.773 179.653 176.870 0.016 0.000 1.133 477 L CA 1.870 56.721 54.840 0.019 0.000 0.816 477 L CB -0.369 41.701 42.059 0.018 0.000 0.933 477 L HN 0.522 nan 8.230 nan 0.000 0.449 478 L N -1.272 119.960 121.223 0.016 0.000 2.007 478 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 478 L C 2.751 179.628 176.870 0.012 0.000 1.073 478 L CA 2.425 57.272 54.840 0.012 0.000 0.744 478 L CB -2.093 39.973 42.059 0.012 0.000 0.898 478 L HN 0.380 nan 8.230 nan 0.000 0.435 479 E N 0.064 120.271 120.200 0.013 0.000 2.049 479 E HA -0.356 3.994 4.350 -0.000 0.000 0.198 479 E C 2.051 178.658 176.600 0.013 0.000 1.007 479 E CA 1.799 58.206 56.400 0.011 0.000 0.809 479 E CB -1.052 28.655 29.700 0.013 0.000 0.749 479 E HN 0.870 nan 8.360 nan 0.000 0.450 480 E N -0.041 120.169 120.200 0.016 0.000 2.233 480 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 480 E C 1.851 178.459 176.600 0.014 0.000 1.004 480 E CA 1.618 58.028 56.400 0.017 0.000 0.819 480 E CB -0.271 29.441 29.700 0.019 0.000 0.738 480 E HN 0.570 nan 8.360 nan 0.000 0.478 481 M N -0.001 119.606 119.600 0.012 0.000 2.618 481 M HA 0.041 4.521 4.480 -0.000 0.000 0.240 481 M C -0.082 176.223 176.300 0.008 0.000 1.123 481 M CA 0.444 55.749 55.300 0.010 0.000 1.060 481 M CB -0.020 32.585 32.600 0.009 0.000 1.535 481 M HN -0.149 nan 8.290 nan 0.000 0.507 482 K N 0.041 120.446 120.400 0.009 0.000 2.334 482 K HA 0.395 4.715 4.320 -0.000 0.000 0.265 482 K C 0.174 176.778 176.600 0.007 0.000 1.039 482 K CA 0.391 56.682 56.287 0.007 0.000 0.920 482 K CB 0.312 32.816 32.500 0.006 0.000 1.160 482 K HN 0.372 nan 8.250 nan 0.000 0.451 483 H N 2.818 121.892 119.070 0.007 0.000 3.090 483 H HA 0.088 4.644 4.556 -0.000 0.000 0.206 483 H C -1.502 173.829 175.328 0.005 0.000 0.936 483 H CA 0.413 56.465 56.048 0.007 0.000 0.937 483 H CB -0.739 29.028 29.762 0.008 0.000 1.091 483 H HN 0.504 nan 8.280 nan 0.000 0.605 484 P HA -0.115 nan 4.420 nan 0.000 0.213 484 P C 1.334 178.636 177.300 0.003 0.000 1.170 484 P CA 1.843 64.945 63.100 0.004 0.000 0.902 484 P CB -0.462 31.240 31.700 0.003 0.000 0.789 485 S N -0.745 114.956 115.700 0.002 0.000 2.563 485 S HA -0.050 4.420 4.470 -0.000 0.000 0.269 485 S C 1.697 176.298 174.600 0.001 0.000 1.364 485 S CA -0.042 58.159 58.200 0.001 0.000 1.010 485 S CB 0.441 63.641 63.200 0.001 0.000 0.877 485 S HN 0.195 nan 8.310 nan 0.000 0.549 486 R N 2.742 123.243 120.500 0.000 0.000 2.104 486 R HA 0.152 4.492 4.340 -0.000 0.000 0.219 486 R C 2.284 178.583 176.300 -0.000 0.000 1.150 486 R CA 1.209 57.309 56.100 -0.000 0.000 0.900 486 R CB -1.228 29.072 30.300 -0.001 0.000 0.804 486 R HN 0.564 nan 8.270 nan 0.000 0.448 487 A N 0.886 123.705 122.820 -0.001 0.000 1.935 487 A HA 0.054 4.374 4.320 -0.000 0.000 0.214 487 A C 2.271 179.855 177.584 -0.000 0.000 1.178 487 A CA 0.704 52.741 52.037 -0.001 0.000 0.640 487 A CB -0.347 18.652 19.000 -0.002 0.000 0.825 487 A HN 0.384 nan 8.150 nan 0.000 0.447 488 R N -0.271 120.228 120.500 -0.001 0.000 2.211 488 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 488 R C 2.299 178.600 176.300 0.001 0.000 1.144 488 R CA 1.291 57.390 56.100 -0.000 0.000 0.992 488 R CB -0.458 29.842 30.300 -0.000 0.000 0.869 488 R HN 0.599 nan 8.270 nan 0.000 0.462 489 R N 1.158 121.660 120.500 0.002 0.000 2.103 489 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 489 R C 2.030 178.333 176.300 0.005 0.000 1.142 489 R CA 1.884 57.986 56.100 0.004 0.000 0.960 489 R CB -0.247 30.055 30.300 0.004 0.000 0.858 489 R HN 0.276 nan 8.270 nan 0.000 0.439 490 A N 1.242 124.064 122.820 0.004 0.000 1.854 490 A HA -0.156 4.163 4.320 -0.000 0.000 0.214 490 A C 2.076 179.662 177.584 0.003 0.000 1.192 490 A CA 1.440 53.480 52.037 0.005 0.000 0.611 490 A CB -0.581 18.421 19.000 0.003 0.000 0.832 490 A HN 0.448 nan 8.150 nan 0.000 0.442 491 K N -0.241 120.159 120.400 0.001 0.000 2.013 491 K HA -0.292 4.028 4.320 -0.000 0.000 0.225 491 K C 2.110 178.708 176.600 -0.002 0.000 1.056 491 K CA 2.194 58.480 56.287 -0.002 0.000 0.971 491 K CB -0.532 31.966 32.500 -0.003 0.000 0.731 491 K HN 0.361 nan 8.250 nan 0.000 0.450 492 A N 1.279 124.098 122.820 -0.001 0.000 1.958 492 A HA -0.223 4.096 4.320 -0.000 0.000 0.221 492 A C 2.076 179.662 177.584 0.003 0.000 1.178 492 A CA 1.826 53.863 52.037 0.000 0.000 0.642 492 A CB -0.595 18.406 19.000 0.003 0.000 0.816 492 A HN 0.355 nan 8.150 nan 0.000 0.453 493 R N -0.265 120.239 120.500 0.007 0.000 2.081 493 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 493 R C 2.080 178.386 176.300 0.011 0.000 1.131 493 R CA 1.733 57.840 56.100 0.012 0.000 0.960 493 R CB -0.715 29.594 30.300 0.014 0.000 0.856 493 R HN 0.587 nan 8.270 nan 0.000 0.436 494 K N 1.547 121.951 120.400 0.006 0.000 2.103 494 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 494 K C 1.987 178.584 176.600 -0.003 0.000 1.048 494 K CA 1.489 57.778 56.287 0.003 0.000 0.930 494 K CB -0.153 32.346 32.500 -0.001 0.000 0.716 494 K HN 0.107 nan 8.250 nan 0.000 0.444 495 R N -0.025 120.470 120.500 -0.009 0.000 2.081 495 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 495 R C 2.290 178.586 176.300 -0.007 0.000 1.131 495 R CA 1.374 57.463 56.100 -0.020 0.000 0.960 495 R CB -0.789 29.500 30.300 -0.019 0.000 0.856 495 R HN 0.187 nan 8.270 nan 0.000 0.436 496 L N 1.986 123.214 121.223 0.008 0.000 2.051 496 L HA -0.229 4.111 4.340 -0.000 0.000 0.214 496 L C 1.920 178.809 176.870 0.031 0.000 1.076 496 L CA 1.836 56.689 54.840 0.023 0.000 0.758 496 L CB -0.394 41.680 42.059 0.025 0.000 0.890 496 L HN 0.175 nan 8.230 nan 0.000 0.433 497 E N -0.992 119.224 120.200 0.026 0.000 2.023 497 E HA -0.225 4.124 4.350 -0.000 0.000 0.196 497 E C 2.087 178.710 176.600 0.038 0.000 1.003 497 E CA 1.939 58.359 56.400 0.035 0.000 0.809 497 E CB -0.318 29.398 29.700 0.027 0.000 0.755 497 E HN 0.454 nan 8.360 nan 0.000 0.449 498 V N 1.060 120.979 119.914 0.009 0.000 2.261 498 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 498 V C 2.439 178.546 176.094 0.022 0.000 1.047 498 V CA 1.462 63.752 62.300 -0.017 0.000 1.015 498 V CB -0.645 31.110 31.823 -0.112 0.000 0.642 498 V HN 0.109 nan 8.190 nan 0.000 0.446 499 V N -0.128 119.788 119.914 0.005 0.000 2.220 499 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 499 V C 2.751 178.918 176.094 0.123 0.000 1.049 499 V CA 2.059 64.393 62.300 0.056 0.000 1.003 499 V CB -0.837 31.006 31.823 0.033 0.000 0.634 499 V HN 0.400 nan 8.190 nan 0.000 0.444 500 R N 0.072 120.625 120.500 0.088 0.000 2.091 500 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 500 R C 2.352 178.719 176.300 0.111 0.000 1.136 500 R CA 1.681 57.835 56.100 0.090 0.000 0.959 500 R CB -1.399 28.944 30.300 0.071 0.000 0.856 500 R HN 0.576 nan 8.270 nan 0.000 0.437 501 A N 0.686 123.580 122.820 0.122 0.000 1.851 501 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 501 A C 2.107 179.797 177.584 0.176 0.000 1.195 501 A CA 1.390 53.505 52.037 0.131 0.000 0.622 501 A CB -0.841 18.239 19.000 0.134 0.000 0.831 501 A HN 0.183 nan 8.150 nan 0.000 0.444 502 F N -0.614 119.332 119.950 -0.006 0.000 2.011 502 F HA -0.188 4.339 4.527 -0.000 0.000 0.296 502 F C 2.118 177.929 175.800 0.018 0.000 1.144 502 F CA 1.733 59.735 58.000 0.003 0.000 1.185 502 F CB -0.985 38.038 39.000 0.038 0.000 0.961 502 F HN 0.207 nan 8.300 nan 0.000 0.485 503 L N 0.547 121.907 121.223 0.228 0.000 2.270 503 L HA -0.209 4.131 4.340 -0.000 0.000 0.217 503 L C 0.424 177.335 176.870 0.069 0.000 1.107 503 L CA 1.439 56.354 54.840 0.125 0.000 0.772 503 L CB -1.351 40.776 42.059 0.113 0.000 0.902 503 L HN 0.097 nan 8.230 nan 0.000 0.439 504 D N -1.228 119.210 120.400 0.064 0.000 2.304 504 D HA 0.378 5.018 4.640 -0.000 0.000 0.247 504 D C 0.842 177.144 176.300 0.002 0.000 1.089 504 D CA 0.858 54.882 54.000 0.039 0.000 0.910 504 D CB 0.922 41.754 40.800 0.053 0.000 1.199 504 D HN 0.529 nan 8.370 nan 0.000 0.426 505 S N 1.511 117.213 115.700 0.004 0.000 3.144 505 S HA -0.195 4.275 4.470 -0.000 0.000 0.629 505 S C 1.105 175.680 174.600 -0.041 0.000 2.962 505 S CA 0.283 58.473 58.200 -0.016 0.000 3.700 505 S CB -1.800 61.384 63.200 -0.026 0.000 0.286 505 S HN 0.955 nan 8.310 nan 0.000 1.464 506 G N 0.992 109.752 108.800 -0.066 0.000 2.479 506 G HA2 0.429 4.389 3.960 -0.000 0.000 0.275 506 G HA3 0.429 4.389 3.960 -0.000 0.000 0.275 506 G C 0.229 175.039 174.900 -0.150 0.000 1.421 506 G CA 0.651 45.699 45.100 -0.087 0.000 1.059 506 G HN 2.190 nan 8.290 nan 0.000 0.535 507 N N -3.193 115.404 118.700 -0.171 0.000 4.531 507 N HA -0.111 4.629 4.740 -0.000 0.000 0.353 507 N C -1.094 174.326 175.510 -0.149 0.000 2.091 507 N CA 0.027 52.912 53.050 -0.276 0.000 2.779 507 N CB -0.280 37.839 38.487 -0.614 0.000 0.397 507 N HN 0.860 nan 8.380 nan 0.000 0.649 508 R N 1.975 122.431 120.500 -0.073 0.000 3.008 508 R HA 0.227 4.567 4.340 -0.000 0.000 0.284 508 R C -2.873 173.545 176.300 0.196 0.000 1.187 508 R CA -1.414 54.729 56.100 0.072 0.000 1.139 508 R CB 1.567 31.896 30.300 0.048 0.000 1.273 508 R HN 0.343 nan 8.270 nan 0.000 0.410 509 P HA -0.168 nan 4.420 nan 0.000 0.131 509 P C -0.113 177.227 177.300 0.067 0.000 1.013 509 P CA 1.060 64.464 63.100 0.506 0.000 1.080 509 P CB 0.052 31.947 31.700 0.325 0.000 1.587 510 E N 1.212 121.558 120.200 0.243 0.000 2.060 510 E HA -0.058 4.291 4.350 -0.000 0.000 0.189 510 E C 0.643 177.282 176.600 0.064 0.000 0.974 510 E CA 0.082 56.547 56.400 0.108 0.000 0.808 510 E CB -0.265 29.515 29.700 0.133 0.000 0.768 510 E HN 0.520 nan 8.360 nan 0.000 0.453 511 W N 1.394 122.716 121.300 0.037 0.000 2.007 511 W HA -0.102 4.558 4.660 -0.000 0.000 0.525 511 W C -0.508 176.040 176.519 0.048 0.000 0.683 511 W CA 0.494 57.866 57.345 0.044 0.000 2.211 511 W CB -1.328 28.172 29.460 0.067 0.000 1.103 511 W HN 0.143 nan 8.180 nan 0.000 0.241 512 M N 2.735 122.309 119.600 -0.043 0.000 5.718 512 M HA 0.009 4.489 4.480 -0.000 0.000 0.678 512 M C 0.098 176.376 176.300 -0.038 0.000 2.423 512 M CA -0.476 54.758 55.300 -0.109 0.000 0.270 512 M CB -0.213 32.239 32.600 -0.245 0.000 1.436 512 M HN -0.136 nan 8.290 nan 0.000 0.720 513 I N 1.697 122.279 120.570 0.021 0.000 3.227 513 I HA -0.181 3.989 4.170 -0.000 0.000 0.332 513 I C 0.298 176.423 176.117 0.013 0.000 1.174 513 I CA 0.974 62.292 61.300 0.030 0.000 1.478 513 I CB 0.120 38.154 38.000 0.056 0.000 1.281 513 I HN 0.312 nan 8.210 nan 0.000 0.542 514 L N 4.692 125.922 121.223 0.011 0.000 2.594 514 L HA 0.488 4.828 4.340 -0.000 0.000 0.245 514 L C -0.054 176.821 176.870 0.008 0.000 1.460 514 L CA 0.383 55.227 54.840 0.005 0.000 0.865 514 L CB 0.140 42.197 42.059 -0.002 0.000 1.131 514 L HN 0.781 nan 8.230 nan 0.000 0.506 515 E N 1.422 121.630 120.200 0.013 0.000 2.482 515 E HA 0.518 4.868 4.350 -0.000 0.000 0.231 515 E C -0.523 176.086 176.600 0.015 0.000 1.175 515 E CA 0.085 56.490 56.400 0.008 0.000 0.512 515 E CB -1.027 28.675 29.700 0.004 0.000 1.001 515 E HN 0.912 nan 8.360 nan 0.000 0.424 516 A N 0.475 123.307 122.820 0.020 0.000 2.386 516 A HA 0.829 5.149 4.320 -0.000 0.000 0.246 516 A C 0.563 178.147 177.584 -0.001 0.000 1.089 516 A CA 0.386 52.446 52.037 0.037 0.000 0.790 516 A CB 0.813 19.856 19.000 0.072 0.000 1.042 516 A HN 1.568 nan 8.150 nan 0.000 0.497 517 V N 2.261 122.185 119.914 0.016 0.000 2.711 517 V HA 0.520 4.640 4.120 -0.000 0.000 0.304 517 V C -2.550 173.519 176.094 -0.042 0.000 1.097 517 V CA -0.937 61.337 62.300 -0.044 0.000 0.906 517 V CB 1.920 33.738 31.823 -0.008 0.000 1.015 517 V HN 0.949 nan 8.190 nan 0.000 0.427 518 P HA 0.594 nan 4.420 nan 0.000 0.292 518 P C -0.470 176.801 177.300 -0.048 0.000 1.300 518 P CA -0.469 62.480 63.100 -0.251 0.000 0.900 518 P CB 2.287 33.358 31.700 -1.049 0.000 1.139 519 V N 2.086 122.043 119.914 0.072 0.000 3.611 519 V HA 0.031 4.151 4.120 -0.000 0.000 0.296 519 V C 1.667 177.765 176.094 0.007 0.000 1.091 519 V CA -0.410 61.911 62.300 0.035 0.000 1.103 519 V CB -0.428 31.425 31.823 0.050 0.000 1.157 519 V HN 0.418 nan 8.190 nan 0.000 0.471 520 L N 2.008 123.232 121.223 0.002 0.000 2.456 520 L HA 0.131 4.471 4.340 -0.000 0.000 0.246 520 L C -0.877 175.995 176.870 0.003 0.000 1.238 520 L CA -0.807 54.029 54.840 -0.006 0.000 0.826 520 L CB -0.201 41.854 42.059 -0.006 0.000 1.150 520 L HN 0.518 nan 8.230 nan 0.000 0.514 521 P HA -0.048 nan 4.420 nan 0.000 0.216 521 P C -1.308 175.997 177.300 0.009 0.000 1.153 521 P CA 1.265 64.368 63.100 0.006 0.000 0.848 521 P CB -1.078 30.622 31.700 0.000 0.000 0.787 522 P HA -0.028 nan 4.420 nan 0.000 0.231 522 P C 0.374 177.677 177.300 0.004 0.000 1.154 522 P CA 1.757 64.859 63.100 0.002 0.000 0.762 522 P CB -0.917 30.782 31.700 -0.002 0.000 0.790 537 T N 1.466 116.020 114.554 -0.000 0.000 3.264 537 T HA 0.271 4.621 4.350 -0.000 0.000 0.257 537 T C 1.154 175.857 174.700 0.006 0.000 0.976 537 T CA 0.764 62.865 62.100 0.001 0.000 0.908 537 T CB -0.222 68.647 68.868 0.001 0.000 1.082 537 T HN 0.526 nan 8.240 nan 0.000 0.567 538 S N 1.555 117.258 115.700 0.005 0.000 2.317 538 S HA -0.104 4.366 4.470 -0.000 0.000 0.212 538 S C 1.707 176.310 174.600 0.005 0.000 1.030 538 S CA 0.367 58.572 58.200 0.009 0.000 0.970 538 S CB -0.331 62.873 63.200 0.007 0.000 0.928 538 S HN 0.643 nan 8.310 nan 0.000 0.451 539 D N 1.153 121.550 120.400 -0.005 0.000 1.637 539 D HA -0.308 4.332 4.640 -0.000 0.000 0.621 539 D C 1.710 177.990 176.300 -0.033 0.000 0.674 539 D CA 2.193 56.183 54.000 -0.017 0.000 1.736 539 D CB -0.708 40.079 40.800 -0.021 0.000 0.266 539 D HN 0.225 nan 8.370 nan 0.000 0.267 540 L N 1.914 123.107 121.223 -0.050 0.000 2.151 540 L HA -0.285 4.054 4.340 -0.000 0.000 0.219 540 L C 2.201 179.009 176.870 -0.102 0.000 1.083 540 L CA 2.486 57.259 54.840 -0.111 0.000 0.782 540 L CB -0.689 41.316 42.059 -0.090 0.000 0.891 540 L HN 0.250 nan 8.230 nan 0.000 0.439 541 N N -0.263 118.446 118.700 0.016 0.000 2.091 541 N HA -0.234 4.506 4.740 -0.000 0.000 0.193 541 N C 1.410 176.961 175.510 0.069 0.000 1.021 541 N CA 1.878 54.987 53.050 0.097 0.000 0.862 541 N CB -0.470 38.062 38.487 0.074 0.000 1.018 541 N HN 0.556 nan 8.380 nan 0.000 0.429 542 D N 1.484 121.891 120.400 0.012 0.000 2.137 542 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 542 D C 2.308 178.602 176.300 -0.011 0.000 0.993 542 D CA 0.671 54.675 54.000 0.006 0.000 0.846 542 D CB -0.647 40.147 40.800 -0.010 0.000 0.990 542 D HN 0.164 nan 8.370 nan 0.000 0.448 543 L N -0.008 121.166 121.223 -0.082 0.000 2.149 543 L HA -0.306 4.034 4.340 -0.000 0.000 0.223 543 L C 2.654 179.480 176.870 -0.073 0.000 1.089 543 L CA 1.573 56.338 54.840 -0.125 0.000 0.800 543 L CB -0.710 41.204 42.059 -0.243 0.000 0.897 543 L HN 0.241 nan 8.230 nan 0.000 0.443 544 Y N -0.217 120.087 120.300 0.006 0.000 2.200 544 Y HA -0.262 4.287 4.550 -0.000 0.000 0.290 544 Y C 2.897 178.800 175.900 0.005 0.000 1.137 544 Y CA 1.259 59.362 58.100 0.006 0.000 1.163 544 Y CB -0.151 38.312 38.460 0.005 0.000 0.988 544 Y HN 0.259 nan 8.280 nan 0.000 0.518 545 R N 0.832 121.430 120.500 0.163 0.000 2.073 545 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 545 R C 2.031 178.373 176.300 0.070 0.000 1.134 545 R CA 1.595 57.750 56.100 0.092 0.000 0.952 545 R CB -0.741 29.595 30.300 0.061 0.000 0.850 545 R HN 0.171 nan 8.270 nan 0.000 0.433 546 R N 0.294 120.827 120.500 0.054 0.000 2.226 546 R HA -0.159 4.181 4.340 -0.000 0.000 0.246 546 R C 2.108 178.435 176.300 0.045 0.000 1.161 546 R CA 1.631 57.752 56.100 0.035 0.000 0.997 546 R CB -0.323 29.985 30.300 0.014 0.000 0.870 546 R HN 0.343 nan 8.270 nan 0.000 0.465 547 L N -0.220 121.049 121.223 0.078 0.000 2.296 547 L HA 0.001 4.341 4.340 -0.000 0.000 0.193 547 L C 1.792 178.704 176.870 0.070 0.000 1.123 547 L CA 0.978 55.870 54.840 0.087 0.000 0.805 547 L CB -0.354 41.798 42.059 0.156 0.000 1.004 547 L HN -0.113 nan 8.230 nan 0.000 0.478 548 I N 0.944 121.563 120.570 0.082 0.000 2.181 548 I HA -0.388 3.782 4.170 -0.000 0.000 0.247 548 I C 2.195 178.331 176.117 0.031 0.000 1.081 548 I CA 1.964 63.291 61.300 0.044 0.000 1.340 548 I CB -2.041 35.980 38.000 0.036 0.000 1.036 548 I HN 0.514 nan 8.210 nan 0.000 0.417 549 N N -0.219 118.501 118.700 0.034 0.000 2.250 549 N HA -0.094 4.645 4.740 -0.000 0.000 0.181 549 N C 1.954 177.476 175.510 0.020 0.000 1.017 549 N CA 0.313 53.377 53.050 0.023 0.000 0.866 549 N CB 0.053 38.554 38.487 0.023 0.000 0.985 549 N HN 0.257 nan 8.380 nan 0.000 0.429 550 R N 1.401 121.915 120.500 0.024 0.000 2.090 550 R HA -0.011 4.329 4.340 -0.000 0.000 0.228 550 R C 1.512 177.822 176.300 0.018 0.000 1.110 550 R CA 0.520 56.632 56.100 0.020 0.000 0.973 550 R CB -0.956 29.357 30.300 0.022 0.000 0.869 550 R HN 0.386 nan 8.270 nan 0.000 0.440 551 N N 1.083 119.796 118.700 0.021 0.000 2.585 551 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 551 N C 0.650 176.167 175.510 0.011 0.000 1.102 551 N CA 0.632 53.692 53.050 0.017 0.000 0.920 551 N CB 0.165 38.663 38.487 0.019 0.000 0.963 551 N HN 0.232 nan 8.380 nan 0.000 0.447 552 N N 0.363 119.069 118.700 0.011 0.000 2.482 552 N HA 0.067 4.807 4.740 -0.000 0.000 0.179 552 N C 1.148 176.662 175.510 0.006 0.000 1.039 552 N CA 0.027 53.081 53.050 0.007 0.000 0.884 552 N CB -0.103 38.389 38.487 0.007 0.000 1.113 552 N HN 0.188 nan 8.380 nan 0.000 0.440 553 R N 0.836 121.340 120.500 0.008 0.000 2.397 553 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 553 R C 1.044 177.347 176.300 0.005 0.000 1.102 553 R CA 0.625 56.729 56.100 0.006 0.000 1.040 553 R CB 0.061 30.365 30.300 0.007 0.000 0.844 553 R HN 0.245 nan 8.270 nan 0.000 0.478 554 L N -1.347 119.879 121.223 0.005 0.000 2.920 554 L HA 0.137 4.477 4.340 -0.000 0.000 0.257 554 L C 1.499 178.370 176.870 0.002 0.000 1.150 554 L CA 0.010 54.852 54.840 0.003 0.000 0.959 554 L CB 0.284 42.345 42.059 0.004 0.000 1.321 554 L HN -0.143 nan 8.230 nan 0.000 0.555 555 K N 0.839 121.240 120.400 0.003 0.000 2.393 555 K HA 0.081 4.400 4.320 -0.000 0.000 0.193 555 K C 1.494 178.095 176.600 0.001 0.000 1.026 555 K CA 0.834 57.122 56.287 0.002 0.000 1.064 555 K CB 0.296 32.798 32.500 0.002 0.000 0.833 555 K HN 0.119 nan 8.250 nan 0.000 0.521 556 K N -1.044 119.357 120.400 0.002 0.000 2.362 556 K HA 0.165 4.485 4.320 -0.000 0.000 0.203 556 K C -0.056 176.544 176.600 0.001 0.000 1.198 556 K CA -0.031 56.257 56.287 0.001 0.000 0.908 556 K CB 0.239 32.740 32.500 0.002 0.000 1.236 556 K HN -0.059 nan 8.250 nan 0.000 0.487 557 L N 2.289 123.513 121.223 0.001 0.000 2.727 557 L HA 0.245 4.585 4.340 -0.000 0.000 0.237 557 L C 0.102 176.972 176.870 0.000 0.000 1.370 557 L CA 0.608 55.448 54.840 0.001 0.000 1.248 557 L CB -0.587 41.473 42.059 0.001 0.000 1.556 557 L HN 0.218 nan 8.230 nan 0.000 0.420 558 L N -0.305 120.918 121.223 -0.000 0.000 1.492 558 L HA 0.188 4.527 4.340 -0.000 0.000 0.135 558 L C 1.760 178.629 176.870 -0.001 0.000 1.363 558 L CA 0.631 55.470 54.840 -0.001 0.000 1.164 558 L CB -0.456 41.602 42.059 -0.001 0.000 2.427 558 L HN 0.216 nan 8.230 nan 0.000 0.476 559 A N 0.188 123.008 122.820 -0.001 0.000 2.178 559 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 559 A C 0.881 178.464 177.584 -0.001 0.000 1.157 559 A CA 1.141 53.177 52.037 -0.001 0.000 0.689 559 A CB -0.232 18.767 19.000 -0.001 0.000 0.787 559 A HN 0.499 nan 8.150 nan 0.000 0.465 560 Q N -2.400 117.399 119.800 -0.001 0.000 2.873 560 Q HA 0.485 4.825 4.340 -0.000 0.000 0.297 560 Q C 0.219 176.219 176.000 -0.001 0.000 1.064 560 Q CA -0.826 54.977 55.803 -0.001 0.000 0.816 560 Q CB 0.906 29.644 28.738 -0.001 0.000 1.481 560 Q HN 0.340 nan 8.270 nan 0.000 0.488 561 G N 0.423 109.222 108.800 -0.001 0.000 2.721 561 G HA2 0.108 4.068 3.960 -0.000 0.000 0.291 561 G HA3 0.108 4.068 3.960 -0.000 0.000 0.291 561 G C -0.393 174.506 174.900 -0.001 0.000 0.451 561 G CA 0.666 45.765 45.100 -0.001 0.000 1.150 561 G HN 0.467 nan 8.290 nan 0.000 0.217 562 A N 5.754 128.573 122.820 -0.001 0.000 2.394 562 A HA 0.673 4.992 4.320 -0.000 0.000 0.333 562 A C -0.735 176.848 177.584 -0.001 0.000 1.397 562 A CA -1.408 50.628 52.037 -0.001 0.000 0.884 562 A CB 1.216 20.215 19.000 -0.002 0.000 1.147 562 A HN 0.566 nan 8.150 nan 0.000 0.505 563 P HA -0.022 nan 4.420 nan 0.000 0.263 563 P C 0.703 178.002 177.300 -0.002 0.000 1.386 563 P CA 0.375 63.474 63.100 -0.001 0.000 0.797 563 P CB 0.092 31.792 31.700 -0.001 0.000 1.381 564 E N 0.051 120.250 120.200 -0.002 0.000 4.001 564 E HA -0.335 4.015 4.350 -0.000 0.000 0.234 564 E C 1.516 178.115 176.600 -0.002 0.000 1.285 564 E CA 2.309 58.707 56.400 -0.002 0.000 2.099 564 E CB -1.387 28.311 29.700 -0.003 0.000 1.843 564 E HN 0.008 nan 8.360 nan 0.000 0.275 565 I N 0.704 121.272 120.570 -0.002 0.000 2.182 565 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 565 I C 1.789 177.905 176.117 -0.002 0.000 1.073 565 I CA 1.502 62.800 61.300 -0.002 0.000 1.335 565 I CB -0.954 37.045 38.000 -0.002 0.000 1.031 565 I HN 0.325 nan 8.210 nan 0.000 0.420 566 I N 0.856 121.425 120.570 -0.001 0.000 2.889 566 I HA 0.128 4.298 4.170 -0.000 0.000 0.315 566 I C 0.996 177.113 176.117 -0.001 0.000 1.207 566 I CA 0.510 61.810 61.300 -0.001 0.000 1.202 566 I CB 0.765 38.765 38.000 -0.000 0.000 1.693 566 I HN 0.200 nan 8.210 nan 0.000 0.538 567 I N 0.221 120.790 120.570 -0.001 0.000 5.419 567 I HA 0.006 4.176 4.170 -0.000 0.000 0.373 567 I C 1.871 177.987 176.117 -0.002 0.000 1.069 567 I CA 0.517 61.816 61.300 -0.001 0.000 1.649 567 I CB 0.232 38.231 38.000 -0.002 0.000 2.209 567 I HN 0.187 nan 8.210 nan 0.000 0.738 568 R N 1.915 122.414 120.500 -0.002 0.000 2.052 568 R HA 0.077 4.417 4.340 -0.000 0.000 0.224 568 R C 1.465 177.763 176.300 -0.003 0.000 1.165 568 R CA 1.740 57.838 56.100 -0.003 0.000 0.939 568 R CB -1.295 29.003 30.300 -0.004 0.000 0.834 568 R HN 0.483 nan 8.270 nan 0.000 0.435 569 N N 1.618 120.317 118.700 -0.002 0.000 2.575 569 N HA -0.101 4.638 4.740 -0.000 0.000 0.192 569 N C 0.737 176.247 175.510 -0.000 0.000 1.200 569 N CA 0.652 53.701 53.050 -0.002 0.000 0.897 569 N CB 0.222 38.708 38.487 -0.001 0.000 0.990 569 N HN 0.237 nan 8.380 nan 0.000 0.449 570 E N 0.515 120.715 120.200 -0.000 0.000 2.307 570 E HA 0.021 4.370 4.350 -0.000 0.000 0.195 570 E C 1.195 177.796 176.600 0.002 0.000 0.975 570 E CA 0.195 56.596 56.400 0.001 0.000 0.878 570 E CB 0.219 29.919 29.700 0.001 0.000 0.845 570 E HN 0.454 nan 8.360 nan 0.000 0.488 571 K N 1.645 122.046 120.400 0.001 0.000 2.418 571 K HA -0.023 4.297 4.320 -0.000 0.000 0.195 571 K C 1.503 178.104 176.600 0.001 0.000 1.035 571 K CA 0.066 56.354 56.287 0.001 0.000 1.003 571 K CB 0.128 32.627 32.500 -0.001 0.000 0.793 571 K HN -0.087 nan 8.250 nan 0.000 0.494 572 R N 0.189 120.689 120.500 0.000 0.000 2.526 572 R HA 0.026 4.365 4.340 -0.000 0.000 0.223 572 R C 0.834 177.135 176.300 0.003 0.000 1.250 572 R CA 0.612 56.712 56.100 0.000 0.000 1.227 572 R CB -0.145 30.154 30.300 -0.000 0.000 1.109 572 R HN 0.207 nan 8.270 nan 0.000 0.499 573 M N -1.369 118.234 119.600 0.005 0.000 1.957 573 M HA 0.077 4.557 4.480 -0.000 0.000 0.281 573 M C 1.116 177.423 176.300 0.011 0.000 1.076 573 M CA -0.170 55.135 55.300 0.007 0.000 1.083 573 M CB -0.012 32.592 32.600 0.007 0.000 1.933 573 M HN 0.203 nan 8.290 nan 0.000 0.667 574 L N 1.908 123.137 121.223 0.011 0.000 1.956 574 L HA -0.210 4.130 4.340 -0.000 0.000 0.216 574 L C 2.385 179.267 176.870 0.020 0.000 1.073 574 L CA 2.493 57.343 54.840 0.016 0.000 0.762 574 L CB -0.992 41.075 42.059 0.013 0.000 0.889 574 L HN 0.461 nan 8.230 nan 0.000 0.433 575 Q N -0.690 119.119 119.800 0.016 0.000 2.152 575 Q HA -0.314 4.026 4.340 -0.000 0.000 0.206 575 Q C 2.120 178.132 176.000 0.020 0.000 0.985 575 Q CA 2.130 57.944 55.803 0.018 0.000 0.863 575 Q CB -0.276 28.468 28.738 0.010 0.000 0.904 575 Q HN 0.701 nan 8.270 nan 0.000 0.422 576 E N -0.371 119.838 120.200 0.015 0.000 2.267 576 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 576 E C 0.850 177.458 176.600 0.013 0.000 0.998 576 E CA 1.071 57.479 56.400 0.012 0.000 0.830 576 E CB -0.049 29.656 29.700 0.008 0.000 0.751 576 E HN 0.489 nan 8.360 nan 0.000 0.491 577 A N -0.544 122.288 122.820 0.021 0.000 2.411 577 A HA 0.231 4.551 4.320 -0.000 0.000 0.251 577 A C 1.021 178.629 177.584 0.040 0.000 1.317 577 A CA -0.000 52.052 52.037 0.026 0.000 0.904 577 A CB 0.386 19.408 19.000 0.037 0.000 0.993 577 A HN 0.147 nan 8.150 nan 0.000 0.504 578 V N -1.924 118.011 119.914 0.035 0.000 3.155 578 V HA 0.055 4.175 4.120 -0.000 0.000 0.225 578 V C 0.589 176.704 176.094 0.035 0.000 1.462 578 V CA 0.301 62.630 62.300 0.049 0.000 1.270 578 V CB -0.287 31.570 31.823 0.057 0.000 1.112 578 V HN 0.294 nan 8.190 nan 0.000 0.479 579 D N 1.394 121.811 120.400 0.028 0.000 2.490 579 D HA 0.459 5.099 4.640 -0.000 0.000 0.255 579 D C 0.913 177.221 176.300 0.014 0.000 1.248 579 D CA 1.053 55.067 54.000 0.024 0.000 0.887 579 D CB 0.537 41.349 40.800 0.020 0.000 0.978 579 D HN 0.522 nan 8.370 nan 0.000 0.491 580 A N -1.512 121.312 122.820 0.006 0.000 1.535 580 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 580 A C 1.868 179.432 177.584 -0.034 0.000 1.813 580 A CA -0.077 51.953 52.037 -0.012 0.000 1.373 580 A CB -0.058 18.933 19.000 -0.016 0.000 1.304 580 A HN 0.078 nan 8.150 nan 0.000 0.391 581 V N 2.106 121.992 119.914 -0.047 0.000 2.282 581 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 581 V C 1.728 177.788 176.094 -0.056 0.000 1.057 581 V CA 2.158 64.392 62.300 -0.110 0.000 1.032 581 V CB -0.813 30.962 31.823 -0.080 0.000 0.645 581 V HN 0.509 nan 8.190 nan 0.000 0.447 582 I N -0.341 120.230 120.570 0.002 0.000 3.080 582 I HA 0.039 4.209 4.170 -0.000 0.000 0.213 582 I C 0.586 176.714 176.117 0.018 0.000 1.298 582 I CA -0.412 60.905 61.300 0.027 0.000 0.726 582 I CB -0.388 37.643 38.000 0.052 0.000 1.751 582 I HN 0.128 nan 8.210 nan 0.000 0.957 583 D N 3.047 123.468 120.400 0.035 0.000 2.763 583 D HA -0.130 4.510 4.640 -0.000 0.000 0.249 583 D C 0.203 176.515 176.300 0.020 0.000 1.242 583 D CA 0.437 54.457 54.000 0.032 0.000 1.494 583 D CB -1.234 39.592 40.800 0.044 0.000 1.153 583 D HN 0.351 nan 8.370 nan 0.000 0.511 584 N N 1.305 120.009 118.700 0.006 0.000 2.657 584 N HA -0.043 4.697 4.740 -0.000 0.000 0.308 584 N C 0.205 175.718 175.510 0.004 0.000 1.212 584 N CA 0.171 53.220 53.050 -0.002 0.000 1.157 584 N CB -0.319 38.158 38.487 -0.017 0.000 1.462 584 N HN 0.321 nan 8.380 nan 0.000 0.509 585 G N 1.921 110.727 108.800 0.011 0.000 4.943 585 G HA2 0.265 4.225 3.960 -0.000 0.000 0.315 585 G HA3 0.265 4.225 3.960 -0.000 0.000 0.315 585 G C -0.165 174.742 174.900 0.011 0.000 1.437 585 G CA -0.518 44.589 45.100 0.012 0.000 1.027 585 G HN 0.464 nan 8.290 nan 0.000 0.567 586 R N 0.619 121.123 120.500 0.007 0.000 2.668 586 R HA 0.430 4.770 4.340 -0.000 0.000 0.272 586 R C 1.627 177.929 176.300 0.004 0.000 1.019 586 R CA -0.485 55.619 56.100 0.007 0.000 0.894 586 R CB 1.312 31.617 30.300 0.008 0.000 1.228 586 R HN 0.278 nan 8.270 nan 0.000 0.460 587 R N 1.165 121.667 120.500 0.003 0.000 1.439 587 R HA -0.255 4.085 4.340 -0.000 0.000 0.054 587 R C 0.057 176.358 176.300 0.001 0.000 0.951 587 R CA 2.277 58.378 56.100 0.002 0.000 1.466 587 R CB -2.170 28.131 30.300 0.002 0.000 0.473 587 R HN 1.464 nan 8.270 nan 0.000 0.556 588 G N 0.845 109.645 108.800 0.000 0.000 2.673 588 G HA2 0.148 4.108 3.960 -0.000 0.000 0.566 588 G HA3 0.148 4.108 3.960 -0.000 0.000 0.566 588 G C -0.347 174.551 174.900 -0.003 0.000 1.170 588 G CA 0.243 45.342 45.100 -0.001 0.000 1.242 588 G HN 1.143 nan 8.290 nan 0.000 0.568 589 S N 2.434 118.131 115.700 -0.006 0.000 2.505 589 S HA 0.780 5.250 4.470 -0.000 0.000 0.280 589 S C -1.360 173.232 174.600 -0.013 0.000 1.197 589 S CA -0.855 57.340 58.200 -0.009 0.000 1.138 589 S CB 2.656 65.849 63.200 -0.011 0.000 1.010 589 S HN 0.558 nan 8.310 nan 0.000 0.480 590 P HA 0.493 nan 4.420 nan 0.000 0.307 590 P C -0.324 176.970 177.300 -0.011 0.000 1.371 590 P CA -0.328 62.765 63.100 -0.011 0.000 0.850 590 P CB 0.689 32.385 31.700 -0.008 0.000 2.144 591 V N -1.406 118.503 119.914 -0.008 0.000 3.160 591 V HA 0.413 4.533 4.120 -0.000 0.000 0.310 591 V C -0.856 175.236 176.094 -0.004 0.000 1.181 591 V CA 0.173 62.469 62.300 -0.006 0.000 1.047 591 V CB 1.008 32.828 31.823 -0.006 0.000 1.068 591 V HN 0.865 nan 8.190 nan 0.000 0.441 592 T N 1.239 115.792 114.554 -0.002 0.000 3.219 592 T HA -0.182 4.167 4.350 -0.000 0.000 0.433 592 T C 0.032 174.732 174.700 -0.001 0.000 0.771 592 T CA 1.000 63.099 62.100 -0.001 0.000 2.178 592 T CB -2.066 66.802 68.868 -0.001 0.000 1.666 592 T HN 0.754 nan 8.240 nan 0.000 0.607 593 N N 3.048 121.747 118.700 -0.001 0.000 2.445 593 N HA 0.366 5.106 4.740 -0.000 0.000 0.264 593 N C -0.300 175.210 175.510 -0.000 0.000 1.227 593 N CA -1.031 52.018 53.050 -0.001 0.000 0.963 593 N CB 1.194 39.680 38.487 -0.001 0.000 1.188 593 N HN 0.486 nan 8.380 nan 0.000 0.491 594 P HA 0.114 nan 4.420 nan 0.000 0.252 594 P C 0.493 177.793 177.300 -0.000 0.000 1.211 594 P CA 0.008 63.108 63.100 -0.000 0.000 0.824 594 P CB 0.204 31.904 31.700 -0.000 0.000 1.077 595 G N 2.148 110.948 108.800 -0.000 0.000 2.341 595 G HA2 0.057 4.017 3.960 -0.000 0.000 0.231 595 G HA3 0.057 4.017 3.960 -0.000 0.000 0.231 595 G C 0.392 175.292 174.900 -0.001 0.000 1.206 595 G CA 0.183 45.283 45.100 -0.000 0.000 0.865 595 G HN 0.444 nan 8.290 nan 0.000 0.515 596 S N 0.734 116.434 115.700 -0.000 0.000 2.561 596 S HA 0.317 4.787 4.470 -0.000 0.000 0.294 596 S C 0.109 174.709 174.600 -0.001 0.000 1.294 596 S CA 0.605 58.805 58.200 -0.000 0.000 1.055 596 S CB 1.305 64.505 63.200 -0.000 0.000 0.819 596 S HN 1.021 nan 8.310 nan 0.000 0.503 597 E N 1.095 121.294 120.200 -0.001 0.000 2.401 597 E HA 0.211 4.560 4.350 -0.000 0.000 0.276 597 E C -1.423 175.175 176.600 -0.002 0.000 1.184 597 E CA -0.924 55.475 56.400 -0.002 0.000 0.902 597 E CB 0.804 30.503 29.700 -0.002 0.000 1.356 597 E HN 0.793 nan 8.360 nan 0.000 0.420 598 R N 1.887 122.386 120.500 -0.003 0.000 2.390 598 R HA 0.342 4.682 4.340 -0.000 0.000 0.291 598 R C -1.780 174.517 176.300 -0.005 0.000 1.070 598 R CA -1.256 54.842 56.100 -0.003 0.000 1.014 598 R CB 0.484 30.782 30.300 -0.003 0.000 1.007 598 R HN 0.351 nan 8.270 nan 0.000 0.466 599 P HA 0.039 nan 4.420 nan 0.000 0.317 599 P C -0.500 176.792 177.300 -0.012 0.000 1.316 599 P CA 0.044 63.139 63.100 -0.009 0.000 0.744 599 P CB 0.557 32.252 31.700 -0.007 0.000 1.521 600 L N -2.017 119.195 121.223 -0.018 0.000 2.283 600 L HA 0.524 4.864 4.340 -0.000 0.000 0.259 600 L C 0.439 177.293 176.870 -0.026 0.000 1.027 600 L CA -1.366 53.460 54.840 -0.024 0.000 0.828 600 L CB 1.173 43.212 42.059 -0.034 0.000 1.380 600 L HN 0.052 nan 8.230 nan 0.000 0.425 601 R N 1.391 121.874 120.500 -0.029 0.000 2.248 601 R HA 0.273 4.612 4.340 -0.000 0.000 0.337 601 R C -0.169 176.105 176.300 -0.044 0.000 1.106 601 R CA -0.293 55.791 56.100 -0.027 0.000 0.959 601 R CB 0.485 30.773 30.300 -0.020 0.000 1.075 601 R HN 0.782 nan 8.270 nan 0.000 0.480 602 S N 1.481 117.156 115.700 -0.042 0.000 2.641 602 S HA 0.125 4.595 4.470 -0.000 0.000 0.261 602 S C 1.415 175.985 174.600 -0.050 0.000 1.257 602 S CA -0.792 57.369 58.200 -0.064 0.000 0.983 602 S CB 0.720 63.892 63.200 -0.047 0.000 0.990 602 S HN 0.414 nan 8.310 nan 0.000 0.572 603 L N 0.863 122.051 121.223 -0.059 0.000 2.189 603 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 603 L C 2.538 179.418 176.870 0.016 0.000 1.097 603 L CA 1.893 56.723 54.840 -0.016 0.000 0.764 603 L CB -1.367 40.697 42.059 0.009 0.000 0.900 603 L HN 0.929 nan 8.230 nan 0.000 0.436 604 T N -1.927 112.640 114.554 0.021 0.000 3.055 604 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 604 T C 1.607 176.334 174.700 0.045 0.000 1.111 604 T CA 0.906 63.035 62.100 0.047 0.000 1.118 604 T CB -0.149 68.749 68.868 0.051 0.000 0.909 604 T HN 0.417 nan 8.240 nan 0.000 0.501 605 D N 1.274 121.687 120.400 0.021 0.000 2.183 605 D HA -0.057 4.583 4.640 -0.000 0.000 0.203 605 D C 1.593 177.902 176.300 0.015 0.000 0.969 605 D CA 0.749 54.760 54.000 0.018 0.000 0.842 605 D CB 0.040 40.842 40.800 0.003 0.000 0.957 605 D HN 0.298 nan 8.370 nan 0.000 0.484 606 I N 0.439 121.013 120.570 0.007 0.000 3.001 606 I HA -0.072 4.097 4.170 -0.000 0.000 0.268 606 I C 1.146 177.255 176.117 -0.013 0.000 1.267 606 I CA 0.473 61.768 61.300 -0.008 0.000 1.472 606 I CB 0.069 38.063 38.000 -0.010 0.000 1.089 606 I HN -0.041 nan 8.210 nan 0.000 0.468 607 L N -0.281 120.959 121.223 0.028 0.000 2.839 607 L HA 0.509 4.849 4.340 -0.000 0.000 0.259 607 L C -0.199 176.777 176.870 0.177 0.000 1.369 607 L CA 0.075 54.959 54.840 0.073 0.000 0.845 607 L CB 0.242 42.360 42.059 0.099 0.000 1.181 607 L HN 0.067 nan 8.230 nan 0.000 0.529 608 S N -1.240 114.548 115.700 0.147 0.000 2.714 608 S HA 0.504 4.973 4.470 -0.000 0.000 0.284 608 S C 0.605 175.260 174.600 0.091 0.000 1.019 608 S CA -0.134 58.155 58.200 0.148 0.000 0.856 608 S CB -0.027 63.242 63.200 0.114 0.000 1.075 608 S HN 0.837 nan 8.310 nan 0.000 0.455 609 G N 3.559 112.406 108.800 0.078 0.000 2.667 609 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.379 609 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.379 609 G C -0.277 174.639 174.900 0.026 0.000 1.236 609 G CA 1.026 46.151 45.100 0.042 0.000 0.946 609 G HN 1.206 nan 8.290 nan 0.000 0.573 610 K N 1.803 122.213 120.400 0.016 0.000 2.075 610 K HA 0.071 4.391 4.320 -0.000 0.000 0.246 610 K C 0.399 177.002 176.600 0.006 0.000 1.293 610 K CA 1.039 57.330 56.287 0.006 0.000 1.342 610 K CB -0.712 31.791 32.500 0.005 0.000 0.820 610 K HN 0.571 nan 8.250 nan 0.000 0.436 611 Q N -0.922 118.879 119.800 0.002 0.000 2.438 611 Q HA -0.168 4.171 4.340 -0.000 0.000 0.356 611 Q C 0.013 176.015 176.000 0.003 0.000 1.438 611 Q CA 0.524 56.326 55.803 -0.003 0.000 0.973 611 Q CB -1.246 27.487 28.738 -0.008 0.000 1.151 611 Q HN 0.830 nan 8.270 nan 0.000 0.328 612 G N 0.497 109.309 108.800 0.019 0.000 2.453 612 G HA2 0.427 4.387 3.960 -0.000 0.000 0.323 612 G HA3 0.427 4.387 3.960 -0.000 0.000 0.323 612 G C 0.580 175.467 174.900 -0.022 0.000 1.198 612 G CA -0.764 44.349 45.100 0.021 0.000 0.959 612 G HN 0.249 nan 8.290 nan 0.000 0.482 613 R N 0.847 121.276 120.500 -0.118 0.000 2.459 613 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 613 R C 0.933 177.063 176.300 -0.283 0.000 1.178 613 R CA 0.811 56.779 56.100 -0.219 0.000 1.072 613 R CB -0.558 29.557 30.300 -0.309 0.000 0.829 613 R HN 0.656 nan 8.270 nan 0.000 0.492 614 F N -0.296 119.636 119.950 -0.030 0.000 2.287 614 F HA 0.088 4.615 4.527 -0.000 0.000 0.276 614 F C 2.411 178.163 175.800 -0.079 0.000 1.047 614 F CA 0.105 58.074 58.000 -0.052 0.000 1.194 614 F CB -0.204 38.774 39.000 -0.037 0.000 1.118 614 F HN -0.154 nan 8.300 nan 0.000 0.556 615 R N 0.497 121.080 120.500 0.139 0.000 2.152 615 R HA -0.137 4.202 4.340 -0.000 0.000 0.232 615 R C 0.813 177.102 176.300 -0.017 0.000 1.117 615 R CA 0.527 56.635 56.100 0.013 0.000 0.981 615 R CB -0.586 29.707 30.300 -0.011 0.000 0.870 615 R HN 0.335 nan 8.270 nan 0.000 0.451 616 Q N 1.130 120.923 119.800 -0.012 0.000 2.276 616 Q HA -0.057 4.283 4.340 -0.000 0.000 0.267 616 Q C -0.575 175.400 176.000 -0.042 0.000 1.135 616 Q CA 0.372 56.157 55.803 -0.031 0.000 0.910 616 Q CB 0.338 29.056 28.738 -0.034 0.000 1.271 616 Q HN 0.164 nan 8.270 nan 0.000 0.417 617 N N 2.011 120.681 118.700 -0.050 0.000 2.461 617 N HA -0.172 4.568 4.740 -0.000 0.000 0.181 617 N C 0.453 175.919 175.510 -0.073 0.000 1.661 617 N CA 0.919 53.933 53.050 -0.060 0.000 3.297 617 N CB -1.063 37.388 38.487 -0.060 0.000 1.506 617 N HN 0.457 nan 8.380 nan 0.000 1.131 618 L N 0.736 121.913 121.223 -0.077 0.000 2.046 618 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 618 L C 1.139 177.955 176.870 -0.090 0.000 1.077 618 L CA 1.117 55.896 54.840 -0.101 0.000 0.747 618 L CB -0.271 41.717 42.059 -0.119 0.000 0.896 618 L HN 0.183 nan 8.230 nan 0.000 0.432 619 L N -1.169 120.010 121.223 -0.072 0.000 2.867 619 L HA 0.284 4.624 4.340 -0.000 0.000 0.158 619 L C 1.263 178.101 176.870 -0.054 0.000 1.387 619 L CA 0.593 55.398 54.840 -0.060 0.000 1.696 619 L CB -0.715 41.315 42.059 -0.048 0.000 2.480 619 L HN -0.020 nan 8.230 nan 0.000 0.522 620 G N -0.904 107.871 108.800 -0.041 0.000 2.489 620 G HA2 0.440 4.400 3.960 -0.000 0.000 0.271 620 G HA3 0.440 4.400 3.960 -0.000 0.000 0.271 620 G C -1.009 173.871 174.900 -0.034 0.000 1.427 620 G CA -0.179 44.900 45.100 -0.035 0.000 1.057 620 G HN 0.399 nan 8.290 nan 0.000 0.532 621 K N -0.899 119.486 120.400 -0.025 0.000 2.663 621 K HA 0.070 4.390 4.320 -0.000 0.000 0.267 621 K C -0.913 175.684 176.600 -0.004 0.000 1.004 621 K CA -0.794 55.481 56.287 -0.021 0.000 0.947 621 K CB 1.489 33.968 32.500 -0.034 0.000 1.372 621 K HN 0.288 nan 8.250 nan 0.000 0.411 622 R N 2.352 122.855 120.500 0.005 0.000 2.853 622 R HA 0.085 4.425 4.340 -0.000 0.000 0.238 622 R C -0.086 176.234 176.300 0.032 0.000 1.538 622 R CA -0.087 56.026 56.100 0.022 0.000 1.166 622 R CB -0.594 29.714 30.300 0.013 0.000 1.201 622 R HN 0.259 nan 8.270 nan 0.000 0.606 623 V N 2.481 122.428 119.914 0.055 0.000 2.617 623 V HA -0.134 3.986 4.120 -0.000 0.000 0.304 623 V C 1.365 177.519 176.094 0.102 0.000 1.040 623 V CA 0.549 62.897 62.300 0.080 0.000 1.149 623 V CB 0.503 32.392 31.823 0.109 0.000 0.914 623 V HN 0.505 nan 8.190 nan 0.000 0.487 624 D N 2.972 123.426 120.400 0.090 0.000 2.413 624 D HA 0.109 4.749 4.640 -0.000 0.000 0.237 624 D C -0.046 176.222 176.300 -0.054 0.000 1.171 624 D CA 0.420 54.422 54.000 0.002 0.000 0.839 624 D CB -0.277 40.499 40.800 -0.040 0.000 0.950 624 D HN 0.663 nan 8.370 nan 0.000 0.499 625 Y N -1.125 119.230 120.300 0.091 0.000 3.023 625 Y HA 0.187 4.737 4.550 -0.000 0.000 0.233 625 Y C -0.159 175.808 175.900 0.113 0.000 0.994 625 Y CA -0.482 57.673 58.100 0.092 0.000 1.141 625 Y CB 0.478 38.980 38.460 0.070 0.000 1.242 625 Y HN -0.077 nan 8.280 nan 0.000 0.667 626 S N -0.903 114.930 115.700 0.223 0.000 2.685 626 S HA 0.933 5.403 4.470 -0.000 0.000 0.282 626 S C -0.354 174.275 174.600 0.048 0.000 1.159 626 S CA -0.022 58.249 58.200 0.118 0.000 0.833 626 S CB 1.747 64.951 63.200 0.007 0.000 1.151 626 S HN 0.406 nan 8.310 nan 0.000 0.485 627 G N 0.466 109.258 108.800 -0.013 0.000 2.827 627 G HA2 0.788 4.748 3.960 -0.000 0.000 0.296 627 G HA3 0.788 4.748 3.960 -0.000 0.000 0.296 627 G C -1.782 173.100 174.900 -0.030 0.000 1.362 627 G CA -0.781 44.319 45.100 0.000 0.000 0.809 627 G HN 0.792 nan 8.290 nan 0.000 0.522 628 R N -1.512 118.987 120.500 -0.002 0.000 2.810 628 R HA 0.869 5.209 4.340 -0.000 0.000 0.266 628 R C -1.062 175.247 176.300 0.015 0.000 1.061 628 R CA -0.755 55.345 56.100 0.000 0.000 0.943 628 R CB 1.747 32.048 30.300 0.002 0.000 1.237 628 R HN 0.969 nan 8.270 nan 0.000 0.459 629 S N -0.716 114.996 115.700 0.019 0.000 2.727 629 S HA 0.145 4.615 4.470 -0.000 0.000 0.275 629 S C -1.151 173.467 174.600 0.030 0.000 0.995 629 S CA -0.787 57.426 58.200 0.023 0.000 0.893 629 S CB 0.945 64.158 63.200 0.021 0.000 1.135 629 S HN 0.328 nan 8.310 nan 0.000 0.460 630 V N 2.759 122.692 119.914 0.032 0.000 3.332 630 V HA 0.326 4.446 4.120 -0.000 0.000 0.305 630 V C 0.409 176.541 176.094 0.063 0.000 1.114 630 V CA 0.707 63.034 62.300 0.045 0.000 1.194 630 V CB 0.372 32.219 31.823 0.041 0.000 1.027 630 V HN 0.699 nan 8.190 nan 0.000 0.492 631 I N 0.620 121.254 120.570 0.106 0.000 2.608 631 I HA 0.809 4.978 4.170 -0.000 0.000 0.295 631 I C -0.909 175.387 176.117 0.298 0.000 1.049 631 I CA -0.795 60.606 61.300 0.168 0.000 1.063 631 I CB 2.006 40.108 38.000 0.170 0.000 1.248 631 I HN 0.206 nan 8.210 nan 0.000 0.424 632 V N 5.020 125.050 119.914 0.193 0.000 2.823 632 V HA 0.357 4.477 4.120 -0.000 0.000 0.312 632 V C 0.229 176.022 176.094 -0.501 0.000 1.072 632 V CA -0.901 61.347 62.300 -0.086 0.000 0.937 632 V CB 2.355 34.098 31.823 -0.133 0.000 1.013 632 V HN 0.681 nan 8.190 nan 0.000 0.430 633 V N 2.786 121.839 119.914 -1.436 0.000 3.367 633 V HA 0.530 4.650 4.120 -0.000 0.000 0.304 633 V C 0.716 176.526 176.094 -0.475 0.000 1.131 633 V CA 1.268 62.811 62.300 -1.262 0.000 1.233 633 V CB 1.405 32.634 31.823 -0.989 0.000 1.021 633 V HN 1.266 nan 8.190 nan 0.000 0.497 634 G N 4.839 113.473 108.800 -0.278 0.000 3.148 634 G HA2 0.413 4.372 3.960 -0.000 0.000 0.300 634 G HA3 0.413 4.372 3.960 -0.000 0.000 0.300 634 G C -3.060 171.744 174.900 -0.159 0.000 2.403 634 G CA -0.561 44.417 45.100 -0.204 0.000 0.763 634 G HN 0.628 nan 8.290 nan 0.000 0.371 635 P HA 0.070 nan 4.420 nan 0.000 0.252 635 P C 0.646 177.812 177.300 -0.224 0.000 1.635 635 P CA 0.492 63.437 63.100 -0.259 0.000 1.206 635 P CB 0.340 31.750 31.700 -0.482 0.000 1.911 636 Q N 1.372 121.057 119.800 -0.193 0.000 2.985 636 Q HA 0.382 4.722 4.340 -0.000 0.000 0.318 636 Q C 1.686 177.568 176.000 -0.197 0.000 1.148 636 Q CA -0.133 55.557 55.803 -0.187 0.000 0.375 636 Q CB -0.479 28.155 28.738 -0.172 0.000 5.543 636 Q HN 0.206 nan 8.270 nan 0.000 0.322 637 L N -0.342 120.773 121.223 -0.180 0.000 2.791 637 L HA 0.561 4.901 4.340 -0.000 0.000 0.239 637 L C 0.419 177.154 176.870 -0.226 0.000 1.203 637 L CA 0.520 55.278 54.840 -0.137 0.000 1.002 637 L CB -1.790 40.251 42.059 -0.030 0.000 1.295 637 L HN 0.575 nan 8.230 nan 0.000 0.504 638 K N 0.236 120.312 120.400 -0.540 0.000 7.008 638 K HA -0.005 4.315 4.320 -0.000 0.000 0.643 638 K C 0.503 176.876 176.600 -0.378 0.000 2.544 638 K CA 0.767 56.305 56.287 -1.248 0.000 1.902 638 K CB -2.417 29.593 32.500 -0.815 0.000 1.909 638 K HN 2.141 nan 8.250 nan 0.000 0.285 639 L N -1.401 119.862 121.223 0.066 0.000 3.434 639 L HA -0.378 3.962 4.340 -0.000 0.000 0.332 639 L C 1.460 178.538 176.870 0.347 0.000 1.130 639 L CA 1.161 56.227 54.840 0.378 0.000 1.259 639 L CB -1.345 40.852 42.059 0.230 0.000 1.246 639 L HN 1.706 nan 8.230 nan 0.000 0.520 640 H N -1.546 117.665 119.070 0.236 0.000 4.097 640 H HA -0.213 4.343 4.556 -0.000 0.000 0.082 640 H C 0.731 176.187 175.328 0.214 0.000 0.583 640 H CA 2.392 58.526 56.048 0.143 0.000 1.354 640 H CB -0.748 29.024 29.762 0.018 0.000 1.388 640 H HN 0.604 nan 8.280 nan 0.000 0.867 641 Q N -0.194 119.712 119.800 0.178 0.000 2.249 641 Q HA 0.506 4.845 4.340 -0.000 0.000 0.226 641 Q C -0.309 175.606 176.000 -0.142 0.000 0.983 641 Q CA 0.239 56.040 55.803 -0.003 0.000 0.930 641 Q CB 2.464 31.165 28.738 -0.062 0.000 1.193 641 Q HN 0.428 nan 8.270 nan 0.000 0.508 642 C N -0.418 118.791 119.300 -0.151 0.000 2.880 642 C HA 0.575 5.035 4.460 -0.000 0.000 0.320 642 C C 1.269 176.165 174.990 -0.157 0.000 1.176 642 C CA -0.179 58.707 59.018 -0.220 0.000 1.390 642 C CB 1.050 28.724 27.740 -0.109 0.000 1.846 642 C HN 1.009 nan 8.230 nan 0.000 0.478 643 G N 1.923 110.629 108.800 -0.156 0.000 2.707 643 G HA2 0.203 4.163 3.960 -0.000 0.000 0.192 643 G HA3 0.203 4.163 3.960 -0.000 0.000 0.192 643 G C 0.305 175.143 174.900 -0.104 0.000 1.471 643 G CA 0.830 45.856 45.100 -0.122 0.000 0.865 643 G HN 1.210 nan 8.290 nan 0.000 0.529 644 L N -0.299 120.879 121.223 -0.076 0.000 2.443 644 L HA -0.080 4.260 4.340 -0.000 0.000 0.645 644 L C -2.456 174.368 176.870 -0.077 0.000 1.007 644 L CA -0.848 53.955 54.840 -0.062 0.000 1.350 644 L CB -0.646 41.370 42.059 -0.072 0.000 2.011 644 L HN 0.237 nan 8.230 nan 0.000 0.954 645 P HA -0.036 nan 4.420 nan 0.000 0.258 645 P C 0.507 177.773 177.300 -0.058 0.000 1.187 645 P CA 0.095 63.161 63.100 -0.057 0.000 0.767 645 P CB 0.568 32.256 31.700 -0.019 0.000 0.770 646 K N 4.169 124.485 120.400 -0.140 0.000 2.144 646 K HA -0.307 4.012 4.320 -0.000 0.000 0.209 646 K C 1.764 178.420 176.600 0.093 0.000 1.047 646 K CA 1.360 57.540 56.287 -0.179 0.000 0.927 646 K CB -0.406 31.713 32.500 -0.635 0.000 0.716 646 K HN 0.068 nan 8.250 nan 0.000 0.454 647 R N 1.905 122.477 120.500 0.120 0.000 2.096 647 R HA -0.122 4.218 4.340 -0.000 0.000 0.240 647 R C 2.441 178.844 176.300 0.172 0.000 1.139 647 R CA 2.349 58.578 56.100 0.216 0.000 0.952 647 R CB -0.537 29.844 30.300 0.134 0.000 0.854 647 R HN 0.699 nan 8.270 nan 0.000 0.436 648 M N -2.304 117.361 119.600 0.108 0.000 2.556 648 M HA 0.292 4.772 4.480 -0.000 0.000 0.245 648 M C 1.709 178.082 176.300 0.120 0.000 1.128 648 M CA 1.329 56.692 55.300 0.105 0.000 1.069 648 M CB 0.273 32.916 32.600 0.071 0.000 1.469 648 M HN 0.073 nan 8.290 nan 0.000 0.494 649 A N 1.499 124.374 122.820 0.091 0.000 1.898 649 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 649 A C 2.066 179.730 177.584 0.133 0.000 1.183 649 A CA 1.044 53.094 52.037 0.023 0.000 0.622 649 A CB -0.761 18.184 19.000 -0.093 0.000 0.824 649 A HN 0.560 nan 8.150 nan 0.000 0.444 650 L N -0.497 120.864 121.223 0.229 0.000 2.079 650 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 650 L C 2.322 179.334 176.870 0.236 0.000 1.081 650 L CA 2.141 57.135 54.840 0.257 0.000 0.752 650 L CB -0.256 41.954 42.059 0.252 0.000 0.896 650 L HN 0.337 nan 8.230 nan 0.000 0.433 651 E N -0.332 119.995 120.200 0.211 0.000 2.001 651 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 651 E C 2.173 178.940 176.600 0.278 0.000 0.994 651 E CA 1.061 57.577 56.400 0.192 0.000 0.815 651 E CB -0.543 29.242 29.700 0.142 0.000 0.770 651 E HN 0.285 nan 8.360 nan 0.000 0.453 652 L N 0.151 121.572 121.223 0.329 0.000 2.283 652 L HA -0.213 4.127 4.340 -0.000 0.000 0.217 652 L C 1.787 179.020 176.870 0.606 0.000 1.104 652 L CA 1.583 56.700 54.840 0.463 0.000 0.772 652 L CB -0.802 41.562 42.059 0.508 0.000 0.899 652 L HN 0.138 nan 8.230 nan 0.000 0.439 653 F N -1.550 118.541 119.950 0.235 0.000 2.784 653 F HA 0.133 4.659 4.527 -0.000 0.000 0.323 653 F C 1.976 177.992 175.800 0.360 0.000 1.085 653 F CA -0.582 57.590 58.000 0.287 0.000 1.196 653 F CB -0.270 38.812 39.000 0.138 0.000 1.053 653 F HN -0.087 nan 8.300 nan 0.000 0.578 654 K N 1.334 121.978 120.400 0.406 0.000 2.037 654 K HA -0.299 4.021 4.320 -0.000 0.000 0.229 654 K C -0.944 175.802 176.600 0.245 0.000 1.040 654 K CA 2.929 59.375 56.287 0.264 0.000 0.981 654 K CB -1.350 31.250 32.500 0.167 0.000 0.749 654 K HN 0.068 nan 8.250 nan 0.000 0.451 655 P HA -0.200 nan 4.420 nan 0.000 0.214 655 P C 1.191 178.535 177.300 0.073 0.000 1.172 655 P CA 2.166 65.320 63.100 0.090 0.000 0.925 655 P CB -0.209 31.520 31.700 0.049 0.000 0.793 656 F N -1.612 118.405 119.950 0.113 0.000 2.111 656 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 656 F C 2.237 178.115 175.800 0.131 0.000 1.088 656 F CA 1.115 59.179 58.000 0.106 0.000 1.243 656 F CB -1.509 37.562 39.000 0.117 0.000 0.996 656 F HN -0.084 nan 8.300 nan 0.000 0.483 657 L N -0.053 121.377 121.223 0.345 0.000 1.882 657 L HA -0.128 4.212 4.340 -0.000 0.000 0.222 657 L C 2.053 179.010 176.870 0.144 0.000 1.095 657 L CA 1.399 56.379 54.840 0.233 0.000 0.794 657 L CB -1.154 41.029 42.059 0.206 0.000 0.886 657 L HN 0.145 nan 8.230 nan 0.000 0.429 658 L N -0.524 120.760 121.223 0.101 0.000 2.434 658 L HA -0.500 3.839 4.340 -0.000 0.000 0.244 658 L C 2.614 179.508 176.870 0.040 0.000 1.169 658 L CA 2.263 57.132 54.840 0.049 0.000 0.804 658 L CB -1.749 40.325 42.059 0.026 0.000 1.020 658 L HN 0.545 nan 8.230 nan 0.000 0.414 659 K N 0.386 120.802 120.400 0.026 0.000 2.097 659 K HA -0.306 4.014 4.320 -0.000 0.000 0.214 659 K C 1.976 178.602 176.600 0.044 0.000 1.052 659 K CA 2.589 58.886 56.287 0.017 0.000 0.932 659 K CB -0.283 32.214 32.500 -0.005 0.000 0.716 659 K HN 0.219 nan 8.250 nan 0.000 0.455 660 K N 0.679 121.127 120.400 0.080 0.000 2.000 660 K HA -0.115 4.205 4.320 -0.000 0.000 0.218 660 K C 2.307 178.960 176.600 0.087 0.000 1.053 660 K CA 2.351 58.697 56.287 0.098 0.000 0.946 660 K CB -0.442 32.139 32.500 0.135 0.000 0.723 660 K HN 0.230 nan 8.250 nan 0.000 0.446 661 M N 0.598 120.255 119.600 0.095 0.000 2.088 661 M HA -0.271 4.209 4.480 -0.000 0.000 0.256 661 M C 2.232 178.556 176.300 0.040 0.000 1.071 661 M CA 2.254 57.614 55.300 0.100 0.000 1.097 661 M CB -0.688 31.959 32.600 0.077 0.000 1.315 661 M HN 0.403 nan 8.290 nan 0.000 0.406 662 E N 0.901 121.104 120.200 0.006 0.000 2.037 662 E HA -0.318 4.032 4.350 -0.000 0.000 0.214 662 E C 1.829 178.433 176.600 0.006 0.000 1.041 662 E CA 2.189 58.579 56.400 -0.016 0.000 0.872 662 E CB -0.305 29.386 29.700 -0.014 0.000 0.785 662 E HN 0.569 nan 8.360 nan 0.000 0.476 663 E N -0.002 120.210 120.200 0.021 0.000 2.204 663 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 663 E C 1.743 178.369 176.600 0.043 0.000 0.990 663 E CA 0.859 57.276 56.400 0.027 0.000 0.821 663 E CB 0.028 29.745 29.700 0.029 0.000 0.750 663 E HN -0.012 nan 8.360 nan 0.000 0.477 664 K N -0.364 120.074 120.400 0.063 0.000 2.616 664 K HA -0.054 4.265 4.320 -0.000 0.000 0.192 664 K C 0.686 177.347 176.600 0.103 0.000 1.031 664 K CA 0.872 57.212 56.287 0.087 0.000 1.004 664 K CB -0.288 32.284 32.500 0.121 0.000 0.810 664 K HN 0.266 nan 8.250 nan 0.000 0.497 665 A N -1.072 121.791 122.820 0.072 0.000 2.079 665 A HA -0.322 3.998 4.320 -0.000 0.000 0.230 665 A C 0.630 178.263 177.584 0.083 0.000 0.537 665 A CA 1.089 53.165 52.037 0.065 0.000 1.134 665 A CB -2.231 16.813 19.000 0.073 0.000 1.423 665 A HN 0.426 nan 8.150 nan 0.000 0.706 666 F N 1.154 121.104 119.950 0.001 0.000 2.629 666 F HA 0.414 4.941 4.527 -0.000 0.000 0.377 666 F C 0.846 176.642 175.800 -0.007 0.000 1.101 666 F CA 1.102 59.100 58.000 -0.004 0.000 1.301 666 F CB -0.141 38.856 39.000 -0.005 0.000 1.062 666 F HN 2.378 nan 8.300 nan 0.000 0.583 667 A N 5.393 127.560 122.820 -1.088 0.000 2.435 667 A HA -0.067 4.253 4.320 -0.000 0.000 0.686 667 A C -1.965 175.408 177.584 -0.351 0.000 0.138 667 A CA -0.339 51.182 52.037 -0.860 0.000 0.024 667 A CB -1.988 16.495 19.000 -0.862 0.000 3.974 667 A HN 0.629 nan 8.150 nan 0.000 0.548 668 P HA -0.104 nan 4.420 nan 0.000 0.202 668 P C 0.490 177.725 177.300 -0.108 0.000 1.171 668 P CA 1.471 64.490 63.100 -0.134 0.000 0.925 668 P CB 0.047 31.684 31.700 -0.106 0.000 0.760 669 N N -1.499 117.141 118.700 -0.100 0.000 2.362 669 N HA 0.115 4.855 4.740 -0.000 0.000 0.299 669 N C 1.146 176.610 175.510 -0.078 0.000 1.170 669 N CA -0.411 52.594 53.050 -0.074 0.000 0.825 669 N CB 2.120 40.574 38.487 -0.056 0.000 1.299 669 N HN -0.327 nan 8.380 nan 0.000 0.502 670 V N 2.472 122.352 119.914 -0.058 0.000 2.546 670 V HA -0.221 3.899 4.120 -0.000 0.000 0.254 670 V C 2.185 178.250 176.094 -0.048 0.000 1.076 670 V CA 1.409 63.679 62.300 -0.050 0.000 1.087 670 V CB -0.437 31.365 31.823 -0.035 0.000 0.674 670 V HN 0.618 nan 8.190 nan 0.000 0.470 671 K N 0.833 121.205 120.400 -0.047 0.000 2.026 671 K HA -0.075 4.244 4.320 -0.000 0.000 0.208 671 K C 2.371 178.940 176.600 -0.051 0.000 1.048 671 K CA 1.659 57.921 56.287 -0.042 0.000 0.929 671 K CB -0.895 31.582 32.500 -0.038 0.000 0.713 671 K HN 0.484 nan 8.250 nan 0.000 0.439 672 A N 1.846 124.626 122.820 -0.067 0.000 1.933 672 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 672 A C 2.436 179.963 177.584 -0.096 0.000 1.175 672 A CA 2.082 54.068 52.037 -0.085 0.000 0.628 672 A CB -0.707 18.226 19.000 -0.111 0.000 0.814 672 A HN 0.312 nan 8.150 nan 0.000 0.444 673 A N 0.049 122.810 122.820 -0.098 0.000 1.859 673 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 673 A C 2.285 179.836 177.584 -0.056 0.000 1.242 673 A CA 2.296 54.280 52.037 -0.089 0.000 0.661 673 A CB -0.786 18.179 19.000 -0.059 0.000 0.842 673 A HN 0.440 nan 8.150 nan 0.000 0.455 674 R N -0.127 120.351 120.500 -0.037 0.000 2.117 674 R HA -0.133 4.207 4.340 -0.000 0.000 0.243 674 R C 2.246 178.529 176.300 -0.028 0.000 1.143 674 R CA 2.032 58.118 56.100 -0.024 0.000 0.968 674 R CB -0.503 29.787 30.300 -0.017 0.000 0.863 674 R HN 0.611 nan 8.270 nan 0.000 0.444 675 R N -0.219 120.260 120.500 -0.036 0.000 2.280 675 R HA 0.005 4.345 4.340 -0.000 0.000 0.207 675 R C 2.108 178.386 176.300 -0.036 0.000 1.043 675 R CA 0.747 56.827 56.100 -0.033 0.000 1.006 675 R CB -0.030 30.250 30.300 -0.035 0.000 0.885 675 R HN 0.219 nan 8.270 nan 0.000 0.467 676 M N -0.257 119.315 119.600 -0.047 0.000 2.509 676 M HA 0.069 4.549 4.480 -0.000 0.000 0.250 676 M C 0.571 176.855 176.300 -0.027 0.000 1.132 676 M CA 0.955 56.230 55.300 -0.042 0.000 1.080 676 M CB 0.585 33.139 32.600 -0.077 0.000 1.408 676 M HN 0.132 nan 8.290 nan 0.000 0.484 677 L N -0.767 120.436 121.223 -0.033 0.000 2.616 677 L HA 0.164 4.503 4.340 -0.000 0.000 0.229 677 L C 1.568 178.420 176.870 -0.030 0.000 1.110 677 L CA 0.046 54.860 54.840 -0.043 0.000 0.884 677 L CB -0.119 41.916 42.059 -0.041 0.000 1.115 677 L HN 0.221 nan 8.230 nan 0.000 0.481 678 E N 0.994 121.181 120.200 -0.023 0.000 2.427 678 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 678 E C 1.404 177.996 176.600 -0.013 0.000 1.028 678 E CA 0.219 56.610 56.400 -0.016 0.000 0.864 678 E CB 0.213 29.903 29.700 -0.017 0.000 0.813 678 E HN 0.220 nan 8.360 nan 0.000 0.514 679 R N 1.068 121.559 120.500 -0.015 0.000 3.457 679 R HA -0.105 4.235 4.340 -0.000 0.000 0.218 679 R C 0.920 177.216 176.300 -0.007 0.000 1.833 679 R CA 0.762 56.856 56.100 -0.010 0.000 1.554 679 R CB -0.671 29.624 30.300 -0.008 0.000 1.143 679 R HN 0.383 nan 8.270 nan 0.000 0.557 680 Q N -1.231 118.566 119.800 -0.006 0.000 1.790 680 Q HA -0.359 3.981 4.340 -0.000 0.000 0.170 680 Q C -0.414 175.589 176.000 0.004 0.000 2.944 680 Q CA 1.809 57.612 55.803 0.001 0.000 0.204 680 Q CB -0.910 27.831 28.738 0.004 0.000 0.225 680 Q HN 0.399 nan 8.270 nan 0.000 0.359 681 R N 1.360 121.863 120.500 0.005 0.000 2.522 681 R HA 0.484 4.824 4.340 -0.000 0.000 0.283 681 R C -1.605 174.700 176.300 0.009 0.000 1.074 681 R CA -0.298 55.810 56.100 0.013 0.000 0.925 681 R CB 1.609 31.923 30.300 0.024 0.000 1.205 681 R HN 0.330 nan 8.270 nan 0.000 0.436 682 D N 3.134 123.537 120.400 0.004 0.000 2.933 682 D HA -0.055 4.585 4.640 -0.000 0.000 0.152 682 D C -1.071 175.202 176.300 -0.045 0.000 1.025 682 D CA 0.171 54.171 54.000 0.001 0.000 1.250 682 D CB 0.026 40.830 40.800 0.007 0.000 0.529 682 D HN 0.396 nan 8.370 nan 0.000 0.557 683 I N 1.727 122.234 120.570 -0.104 0.000 2.354 683 I HA 0.202 4.372 4.170 -0.000 0.000 0.286 683 I C 0.811 176.807 176.117 -0.201 0.000 1.007 683 I CA -0.585 60.573 61.300 -0.235 0.000 1.167 683 I CB 1.594 39.251 38.000 -0.572 0.000 1.320 683 I HN -0.070 nan 8.210 nan 0.000 0.458 684 K N 5.266 125.593 120.400 -0.122 0.000 2.258 684 K HA 0.036 4.356 4.320 -0.000 0.000 0.264 684 K C 0.813 177.351 176.600 -0.103 0.000 1.007 684 K CA -0.349 55.891 56.287 -0.078 0.000 0.941 684 K CB 0.840 33.292 32.500 -0.079 0.000 0.966 684 K HN 0.591 nan 8.250 nan 0.000 0.480 685 D N 2.858 123.267 120.400 0.013 0.000 2.276 685 D HA -0.266 4.374 4.640 -0.000 0.000 0.200 685 D C 0.812 177.091 176.300 -0.036 0.000 1.004 685 D CA 1.592 55.638 54.000 0.077 0.000 0.898 685 D CB -0.111 40.727 40.800 0.064 0.000 0.906 685 D HN 0.624 nan 8.370 nan 0.000 0.457 686 E N 0.109 120.189 120.200 -0.199 0.000 2.219 686 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 686 E C 2.102 178.541 176.600 -0.267 0.000 0.998 686 E CA 0.839 57.025 56.400 -0.357 0.000 0.818 686 E CB 0.146 29.358 29.700 -0.814 0.000 0.741 686 E HN 0.277 nan 8.360 nan 0.000 0.477 687 V N -0.961 118.842 119.914 -0.185 0.000 2.788 687 V HA -0.058 4.062 4.120 -0.000 0.000 0.241 687 V C 1.700 177.803 176.094 0.015 0.000 1.083 687 V CA 0.467 62.729 62.300 -0.064 0.000 1.103 687 V CB -0.402 31.371 31.823 -0.084 0.000 0.800 687 V HN 0.356 nan 8.190 nan 0.000 0.476 688 W N 0.840 122.133 121.300 -0.011 0.000 2.302 688 W HA -0.248 4.412 4.660 -0.000 0.000 0.320 688 W C 1.882 178.392 176.519 -0.015 0.000 1.241 688 W CA 1.191 58.529 57.345 -0.011 0.000 1.264 688 W CB -0.193 29.252 29.460 -0.025 0.000 1.154 688 W HN 0.213 nan 8.180 nan 0.000 0.483 689 D N -0.032 120.513 120.400 0.242 0.000 2.422 689 D HA -0.083 4.557 4.640 -0.000 0.000 0.245 689 D C 1.349 177.712 176.300 0.105 0.000 1.102 689 D CA 1.073 55.147 54.000 0.122 0.000 0.981 689 D CB -0.293 40.540 40.800 0.055 0.000 0.877 689 D HN 0.219 nan 8.370 nan 0.000 0.522 690 A N -0.398 122.512 122.820 0.149 0.000 1.909 690 A HA 0.023 4.343 4.320 -0.000 0.000 0.210 690 A C 1.966 179.636 177.584 0.144 0.000 1.273 690 A CA 0.072 52.189 52.037 0.134 0.000 0.654 690 A CB -0.282 18.801 19.000 0.137 0.000 0.945 690 A HN 0.145 nan 8.150 nan 0.000 0.471 691 L N 0.826 122.155 121.223 0.176 0.000 2.079 691 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 691 L C 2.035 178.948 176.870 0.071 0.000 1.081 691 L CA 1.844 56.754 54.840 0.116 0.000 0.752 691 L CB -1.092 41.025 42.059 0.098 0.000 0.896 691 L HN 0.435 nan 8.230 nan 0.000 0.433 692 E N -0.495 119.755 120.200 0.083 0.000 2.396 692 E HA -0.258 4.092 4.350 -0.000 0.000 0.200 692 E C 1.917 178.565 176.600 0.080 0.000 1.023 692 E CA 1.119 57.553 56.400 0.057 0.000 0.857 692 E CB 0.011 29.734 29.700 0.039 0.000 0.775 692 E HN 0.630 nan 8.360 nan 0.000 0.525 693 E N -0.491 119.758 120.200 0.082 0.000 2.399 693 E HA -0.026 4.324 4.350 -0.000 0.000 0.205 693 E C 1.687 178.365 176.600 0.130 0.000 0.906 693 E CA 0.082 56.521 56.400 0.066 0.000 0.998 693 E CB 0.623 30.344 29.700 0.036 0.000 1.002 693 E HN -0.005 nan 8.360 nan 0.000 0.501 694 V N 1.620 121.622 119.914 0.145 0.000 2.249 694 V HA -0.203 3.917 4.120 -0.000 0.000 0.239 694 V C 2.373 178.571 176.094 0.172 0.000 1.038 694 V CA 1.490 63.904 62.300 0.189 0.000 1.005 694 V CB -0.513 31.460 31.823 0.251 0.000 0.646 694 V HN 0.319 nan 8.190 nan 0.000 0.455 695 I N -0.346 120.277 120.570 0.089 0.000 2.358 695 I HA -0.297 3.873 4.170 -0.000 0.000 0.257 695 I C 1.294 177.436 176.117 0.042 0.000 1.123 695 I CA 1.095 62.390 61.300 -0.009 0.000 1.393 695 I CB -0.638 37.256 38.000 -0.177 0.000 1.073 695 I HN 0.385 nan 8.210 nan 0.000 0.437 696 H N 0.773 119.846 119.070 0.005 0.000 3.187 696 H HA 0.121 4.677 4.556 -0.000 0.000 0.286 696 H C 1.159 176.497 175.328 0.016 0.000 0.944 696 H CA 1.017 57.067 56.048 0.004 0.000 1.429 696 H CB 0.040 29.810 29.762 0.014 0.000 1.483 696 H HN 0.371 nan 8.280 nan 0.000 0.555 697 G N 3.472 112.137 108.800 -0.225 0.000 2.241 697 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 697 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 697 G C 0.269 175.141 174.900 -0.046 0.000 0.998 697 G CA 0.227 45.264 45.100 -0.105 0.000 0.621 697 G HN 0.613 nan 8.290 nan 0.000 0.519 698 K N 0.714 121.105 120.400 -0.014 0.000 2.174 698 K HA 0.601 4.921 4.320 -0.000 0.000 0.275 698 K C 0.590 177.202 176.600 0.020 0.000 1.015 698 K CA -0.053 56.249 56.287 0.025 0.000 0.933 698 K CB 2.317 34.876 32.500 0.099 0.000 1.025 698 K HN 0.626 nan 8.250 nan 0.000 0.463 699 V N -0.908 119.027 119.914 0.035 0.000 3.096 699 V HA 0.715 4.835 4.120 -0.000 0.000 0.319 699 V C -0.502 175.655 176.094 0.106 0.000 1.103 699 V CA -0.810 61.520 62.300 0.050 0.000 1.016 699 V CB 1.912 33.752 31.823 0.028 0.000 1.090 699 V HN 0.408 nan 8.190 nan 0.000 0.449 700 V N 2.188 122.190 119.914 0.146 0.000 2.789 700 V HA 0.493 4.613 4.120 -0.000 0.000 0.311 700 V C -0.687 175.525 176.094 0.197 0.000 1.073 700 V CA -0.626 61.783 62.300 0.182 0.000 0.921 700 V CB 1.696 33.652 31.823 0.221 0.000 1.009 700 V HN 0.801 nan 8.190 nan 0.000 0.426 701 L N 4.493 125.820 121.223 0.175 0.000 2.349 701 L HA 0.418 4.758 4.340 -0.000 0.000 0.275 701 L C -0.178 176.842 176.870 0.250 0.000 1.115 701 L CA 0.231 55.178 54.840 0.179 0.000 0.820 701 L CB 0.860 43.017 42.059 0.163 0.000 1.135 701 L HN 0.367 nan 8.230 nan 0.000 0.445 702 L N 3.950 125.379 121.223 0.343 0.000 2.346 702 L HA 0.545 4.885 4.340 -0.000 0.000 0.274 702 L C -0.640 176.416 176.870 0.311 0.000 1.007 702 L CA -0.384 54.703 54.840 0.413 0.000 0.818 702 L CB 1.660 44.164 42.059 0.742 0.000 1.284 702 L HN 0.806 nan 8.230 nan 0.000 0.424 703 N N 2.335 121.156 118.700 0.201 0.000 2.287 703 N HA 0.479 5.219 4.740 -0.000 0.000 0.289 703 N C -1.158 174.391 175.510 0.064 0.000 1.066 703 N CA -0.673 52.417 53.050 0.067 0.000 0.841 703 N CB 2.042 40.570 38.487 0.069 0.000 1.599 703 N HN 0.551 nan 8.380 nan 0.000 0.476 704 R N 2.999 123.486 120.500 -0.022 0.000 2.604 704 R HA 0.856 5.196 4.340 -0.000 0.000 0.287 704 R C 0.896 177.180 176.300 -0.026 0.000 0.970 704 R CA 0.155 56.266 56.100 0.017 0.000 0.946 704 R CB 0.861 31.195 30.300 0.056 0.000 1.127 704 R HN 0.697 nan 8.270 nan 0.000 0.473 705 A N 4.678 127.496 122.820 -0.003 0.000 2.807 705 A HA -0.129 4.191 4.320 -0.000 0.000 0.224 705 A C -1.222 176.347 177.584 -0.026 0.000 1.191 705 A CA 1.571 53.603 52.037 -0.008 0.000 1.069 705 A CB -2.205 16.794 19.000 -0.002 0.000 0.647 705 A HN 0.838 nan 8.150 nan 0.000 0.512 706 P HA 0.263 nan 4.420 nan 0.000 0.276 706 P C -0.993 176.265 177.300 -0.069 0.000 1.253 706 P CA 0.253 63.333 63.100 -0.034 0.000 0.766 706 P CB 0.544 32.233 31.700 -0.017 0.000 0.845 707 T N 4.891 119.394 114.554 -0.086 0.000 2.806 707 T HA 0.560 4.910 4.350 -0.000 0.000 0.290 707 T C 0.209 174.825 174.700 -0.139 0.000 0.966 707 T CA -0.318 61.694 62.100 -0.148 0.000 1.060 707 T CB 0.475 69.256 68.868 -0.145 0.000 0.927 707 T HN 0.266 nan 8.240 nan 0.000 0.485 708 L N 4.142 125.231 121.223 -0.224 0.000 2.445 708 L HA 0.532 4.872 4.340 -0.000 0.000 0.262 708 L C -0.194 176.470 176.870 -0.344 0.000 0.974 708 L CA -1.345 53.419 54.840 -0.127 0.000 0.822 708 L CB 1.509 43.578 42.059 0.017 0.000 1.339 708 L HN 0.931 nan 8.230 nan 0.000 0.409 709 H N 1.913 120.950 119.070 -0.055 0.000 3.626 709 H HA -0.216 4.340 4.556 -0.000 0.000 0.249 709 H C 0.826 176.115 175.328 -0.066 0.000 0.626 709 H CA 0.743 56.758 56.048 -0.055 0.000 0.738 709 H CB -0.159 29.574 29.762 -0.049 0.000 1.252 709 H HN 0.870 nan 8.280 nan 0.000 0.285 710 R N 2.428 122.940 120.500 0.021 0.000 2.196 710 R HA -0.164 4.176 4.340 -0.000 0.000 0.259 710 R C 1.698 177.939 176.300 -0.099 0.000 1.154 710 R CA 2.371 58.451 56.100 -0.034 0.000 0.976 710 R CB -0.502 29.814 30.300 0.026 0.000 0.888 710 R HN 0.600 nan 8.270 nan 0.000 0.453 711 L N 1.643 122.864 121.223 -0.003 0.000 2.869 711 L HA 0.038 4.378 4.340 -0.000 0.000 0.259 711 L C 1.677 178.302 176.870 -0.408 0.000 1.162 711 L CA 0.580 55.403 54.840 -0.027 0.000 0.975 711 L CB -0.373 41.864 42.059 0.297 0.000 1.217 711 L HN 0.565 nan 8.230 nan 0.000 0.418 712 G N -0.767 107.704 108.800 -0.549 0.000 2.719 712 G HA2 0.105 4.065 3.960 -0.000 0.000 0.211 712 G HA3 0.105 4.065 3.960 -0.000 0.000 0.211 712 G C 1.401 175.835 174.900 -0.775 0.000 1.140 712 G CA -0.053 44.639 45.100 -0.680 0.000 0.790 712 G HN 0.216 nan 8.290 nan 0.000 0.529 713 I N -0.285 119.973 120.570 -0.521 0.000 3.700 713 I HA 0.335 4.505 4.170 -0.000 0.000 0.232 713 I C 1.409 177.381 176.117 -0.241 0.000 1.033 713 I CA 1.018 62.124 61.300 -0.322 0.000 1.525 713 I CB -0.532 37.385 38.000 -0.138 0.000 1.411 713 I HN 0.316 nan 8.210 nan 0.000 0.458 714 Q N 0.710 120.434 119.800 -0.127 0.000 3.135 714 Q HA 0.098 4.438 4.340 -0.000 0.000 0.048 714 Q C -0.549 175.291 176.000 -0.266 0.000 1.656 714 Q CA 0.324 56.073 55.803 -0.090 0.000 0.292 714 Q CB -2.150 26.727 28.738 0.232 0.000 0.586 714 Q HN 0.809 nan 8.270 nan 0.000 0.322 715 A N 1.787 124.387 122.820 -0.367 0.000 2.306 715 A HA 1.052 5.372 4.320 -0.000 0.000 0.330 715 A C -0.266 176.968 177.584 -0.584 0.000 1.146 715 A CA -0.145 51.710 52.037 -0.303 0.000 0.827 715 A CB 0.983 19.930 19.000 -0.089 0.000 1.178 715 A HN 1.513 nan 8.150 nan 0.000 0.490 716 F N -0.870 119.125 119.950 0.075 0.000 2.814 716 F HA 0.534 5.061 4.527 -0.000 0.000 0.353 716 F C 0.328 176.112 175.800 -0.026 0.000 1.177 716 F CA -0.541 57.476 58.000 0.028 0.000 1.036 716 F CB 1.431 40.455 39.000 0.039 0.000 1.455 716 F HN 0.469 nan 8.300 nan 0.000 0.520 717 Q N 1.097 120.982 119.800 0.141 0.000 2.330 717 Q HA 0.403 4.743 4.340 -0.000 0.000 0.269 717 Q C -2.638 173.347 176.000 -0.025 0.000 1.022 717 Q CA -2.092 53.699 55.803 -0.021 0.000 0.796 717 Q CB 2.464 31.088 28.738 -0.191 0.000 1.271 717 Q HN 0.045 nan 8.270 nan 0.000 0.450 718 P HA 0.043 nan 4.420 nan 0.000 0.271 718 P C -1.010 176.218 177.300 -0.119 0.000 1.233 718 P CA -0.161 62.881 63.100 -0.096 0.000 0.789 718 P CB 0.617 32.211 31.700 -0.176 0.000 0.951 719 V N 2.491 122.329 119.914 -0.127 0.000 2.675 719 V HA 0.074 4.194 4.120 -0.000 0.000 0.266 719 V C -0.344 175.664 176.094 -0.143 0.000 0.974 719 V CA -0.562 61.662 62.300 -0.127 0.000 0.890 719 V CB 1.061 32.813 31.823 -0.117 0.000 1.055 719 V HN 0.374 nan 8.190 nan 0.000 0.477 720 L N 4.929 126.054 121.223 -0.163 0.000 2.776 720 L HA 0.007 4.347 4.340 -0.000 0.000 0.283 720 L C 0.353 177.107 176.870 -0.194 0.000 1.194 720 L CA 1.375 56.094 54.840 -0.201 0.000 0.947 720 L CB 0.065 41.969 42.059 -0.257 0.000 1.255 720 L HN 0.451 nan 8.230 nan 0.000 0.481 721 V N 2.510 122.315 119.914 -0.182 0.000 3.184 721 V HA 0.469 4.588 4.120 -0.000 0.000 0.308 721 V C 0.575 176.573 176.094 -0.161 0.000 1.243 721 V CA -0.897 61.307 62.300 -0.159 0.000 1.058 721 V CB 1.577 33.321 31.823 -0.131 0.000 1.183 721 V HN 0.587 nan 8.190 nan 0.000 0.471 722 E N 1.018 121.141 120.200 -0.129 0.000 4.327 722 E HA 0.275 4.625 4.350 -0.000 0.000 0.579 722 E C 0.453 177.003 176.600 -0.083 0.000 0.402 722 E CA 0.920 57.254 56.400 -0.109 0.000 3.827 722 E CB -0.512 29.134 29.700 -0.090 0.000 2.359 722 E HN 0.854 nan 8.360 nan 0.000 0.316 723 G N -0.075 108.691 108.800 -0.057 0.000 2.468 723 G HA2 0.507 4.467 3.960 -0.000 0.000 0.315 723 G HA3 0.507 4.467 3.960 -0.000 0.000 0.315 723 G C -1.066 173.822 174.900 -0.021 0.000 1.203 723 G CA -0.180 44.902 45.100 -0.031 0.000 0.962 723 G HN 0.232 nan 8.290 nan 0.000 0.476 724 Q N 0.197 119.990 119.800 -0.012 0.000 0.361 724 Q HA -0.054 4.286 4.340 -0.000 0.000 0.241 724 Q C 0.548 176.542 176.000 -0.010 0.000 1.096 724 Q CA 1.306 57.107 55.803 -0.004 0.000 0.205 724 Q CB -0.930 27.809 28.738 0.002 0.000 5.642 724 Q HN 2.567 nan 8.270 nan 0.000 0.291 725 S N -1.842 113.859 115.700 0.002 0.000 3.688 725 S HA -0.171 4.298 4.470 -0.000 0.000 0.729 725 S C -0.171 174.425 174.600 -0.006 0.000 0.940 725 S CA 0.378 58.583 58.200 0.008 0.000 1.261 725 S CB -1.095 62.109 63.200 0.006 0.000 1.528 725 S HN 0.771 nan 8.310 nan 0.000 0.497 726 I N 3.174 123.747 120.570 0.006 0.000 2.696 726 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 726 I C 1.261 177.366 176.117 -0.021 0.000 1.129 726 I CA 0.570 61.861 61.300 -0.014 0.000 1.410 726 I CB 0.557 38.555 38.000 -0.002 0.000 1.399 726 I HN 0.692 nan 8.210 nan 0.000 0.579 727 Q N 4.850 124.611 119.800 -0.066 0.000 2.390 727 Q HA 0.401 4.741 4.340 -0.000 0.000 0.249 727 Q C -0.943 174.996 176.000 -0.102 0.000 0.996 727 Q CA -0.722 55.029 55.803 -0.087 0.000 0.899 727 Q CB 1.374 30.039 28.738 -0.122 0.000 1.216 727 Q HN 0.431 nan 8.270 nan 0.000 0.465 728 L N 2.185 123.394 121.223 -0.022 0.000 2.360 728 L HA 0.298 4.637 4.340 -0.000 0.000 0.271 728 L C -0.415 176.472 176.870 0.029 0.000 1.057 728 L CA -0.498 54.318 54.840 -0.040 0.000 0.803 728 L CB 0.836 42.941 42.059 0.076 0.000 1.207 728 L HN 0.515 nan 8.230 nan 0.000 0.445 729 H N 5.374 124.354 119.070 -0.151 0.000 2.705 729 H HA 0.318 4.874 4.556 -0.000 0.000 0.291 729 H C -1.926 173.431 175.328 0.049 0.000 1.085 729 H CA -2.344 53.664 56.048 -0.067 0.000 1.357 729 H CB 0.816 30.522 29.762 -0.094 0.000 1.419 729 H HN 0.425 nan 8.280 nan 0.000 0.462 730 P HA -0.325 nan 4.420 nan 0.000 0.227 730 P C 1.223 178.383 177.300 -0.233 0.000 1.154 730 P CA 1.516 64.622 63.100 0.009 0.000 0.879 730 P CB 0.522 32.426 31.700 0.340 0.000 0.779 731 L N -1.272 119.489 121.223 -0.770 0.000 2.084 731 L HA -0.067 4.273 4.340 -0.000 0.000 0.202 731 L C 2.885 179.613 176.870 -0.235 0.000 1.074 731 L CA 0.854 55.465 54.840 -0.382 0.000 0.757 731 L CB -1.097 40.812 42.059 -0.250 0.000 0.918 731 L HN -0.185 nan 8.230 nan 0.000 0.444 732 V N -0.142 119.598 119.914 -0.291 0.000 2.363 732 V HA -0.423 3.696 4.120 -0.000 0.000 0.254 732 V C 2.709 178.642 176.094 -0.268 0.000 1.074 732 V CA 1.857 64.026 62.300 -0.218 0.000 1.069 732 V CB -0.589 31.060 31.823 -0.291 0.000 0.659 732 V HN 0.575 nan 8.190 nan 0.000 0.455 733 C N -0.637 118.526 119.300 -0.228 0.000 2.243 733 C HA -0.367 4.093 4.460 -0.000 0.000 0.264 733 C C 2.671 177.652 174.990 -0.015 0.000 1.110 733 C CA 2.036 60.963 59.018 -0.152 0.000 1.798 733 C CB -1.208 26.477 27.740 -0.093 0.000 1.843 733 C HN 0.784 nan 8.230 nan 0.000 0.403 734 E N 0.213 120.422 120.200 0.014 0.000 2.160 734 E HA -0.401 3.948 4.350 -0.000 0.000 0.237 734 E C 2.092 178.785 176.600 0.155 0.000 1.069 734 E CA 2.352 58.792 56.400 0.067 0.000 0.950 734 E CB -0.488 29.244 29.700 0.054 0.000 0.832 734 E HN 0.592 nan 8.360 nan 0.000 0.496 735 A N -0.112 122.839 122.820 0.219 0.000 1.896 735 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 735 A C 2.084 179.912 177.584 0.408 0.000 1.206 735 A CA 2.320 54.566 52.037 0.349 0.000 0.647 735 A CB -1.218 18.030 19.000 0.413 0.000 0.828 735 A HN 0.467 nan 8.150 nan 0.000 0.455 736 F N -0.890 119.101 119.950 0.068 0.000 2.234 736 F HA 0.053 4.579 4.527 -0.000 0.000 0.299 736 F C 1.167 176.959 175.800 -0.012 0.000 1.087 736 F CA 0.702 58.711 58.000 0.015 0.000 1.340 736 F CB -0.719 38.292 39.000 0.019 0.000 1.031 736 F HN 0.452 nan 8.300 nan 0.000 0.500 737 N N 0.465 119.283 118.700 0.198 0.000 3.107 737 N HA -0.147 4.593 4.740 -0.000 0.000 0.284 737 N C -0.976 174.544 175.510 0.017 0.000 1.807 737 N CA 0.891 53.985 53.050 0.074 0.000 1.776 737 N CB -0.654 37.871 38.487 0.064 0.000 0.810 737 N HN 0.374 nan 8.380 nan 0.000 0.519 738 A N 3.199 125.968 122.820 -0.085 0.000 2.480 738 A HA 0.211 4.531 4.320 -0.000 0.000 0.302 738 A C -0.666 176.710 177.584 -0.347 0.000 1.151 738 A CA -0.280 51.640 52.037 -0.195 0.000 0.907 738 A CB 0.173 19.030 19.000 -0.239 0.000 1.487 738 A HN 0.611 nan 8.150 nan 0.000 0.396 739 D N 1.939 122.222 120.400 -0.195 0.000 2.317 739 D HA 0.247 4.886 4.640 -0.000 0.000 0.252 739 D C -0.492 175.725 176.300 -0.140 0.000 1.174 739 D CA -0.254 53.654 54.000 -0.153 0.000 0.866 739 D CB 0.467 41.253 40.800 -0.023 0.000 1.127 739 D HN 0.300 nan 8.370 nan 0.000 0.467 740 F N 2.421 122.378 119.950 0.011 0.000 2.573 740 F HA -0.004 4.523 4.527 -0.000 0.000 0.345 740 F C 0.791 176.595 175.800 0.006 0.000 1.273 740 F CA 0.068 58.072 58.000 0.006 0.000 1.190 740 F CB -0.347 38.652 39.000 -0.001 0.000 1.654 740 F HN 0.365 nan 8.300 nan 0.000 0.682 741 D N -0.513 119.952 120.400 0.108 0.000 2.837 741 D HA 0.310 4.950 4.640 -0.000 0.000 0.340 741 D C 1.062 177.393 176.300 0.053 0.000 1.451 741 D CA -0.082 53.965 54.000 0.078 0.000 0.798 741 D CB 0.365 41.197 40.800 0.054 0.000 1.169 741 D HN 0.426 nan 8.370 nan 0.000 0.449 742 G N -0.086 108.750 108.800 0.060 0.000 2.198 742 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.156 742 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.156 742 G C -0.331 174.588 174.900 0.032 0.000 1.012 742 G CA -0.498 44.628 45.100 0.042 0.000 0.692 742 G HN 0.306 nan 8.290 nan 0.000 0.492 743 D N 0.888 121.302 120.400 0.024 0.000 2.368 743 D HA 0.443 5.083 4.640 -0.000 0.000 0.240 743 D C 0.610 176.923 176.300 0.023 0.000 1.169 743 D CA 0.636 54.638 54.000 0.003 0.000 0.906 743 D CB 0.650 41.419 40.800 -0.051 0.000 1.187 743 D HN 0.409 nan 8.370 nan 0.000 0.435 744 Q N 0.452 120.264 119.800 0.020 0.000 2.389 744 Q HA 0.544 4.884 4.340 -0.000 0.000 0.277 744 Q C -0.599 175.422 176.000 0.035 0.000 1.082 744 Q CA -0.620 55.201 55.803 0.030 0.000 0.810 744 Q CB 2.776 31.529 28.738 0.024 0.000 1.374 744 Q HN 0.328 nan 8.270 nan 0.000 0.422 745 M N 0.655 120.282 119.600 0.045 0.000 2.644 745 M HA 0.688 5.168 4.480 -0.000 0.000 0.304 745 M C -0.632 175.685 176.300 0.029 0.000 1.215 745 M CA -0.613 54.723 55.300 0.060 0.000 0.871 745 M CB 2.284 34.950 32.600 0.110 0.000 1.740 745 M HN 0.815 nan 8.290 nan 0.000 0.464 746 A N 0.889 123.712 122.820 0.005 0.000 2.450 746 A HA 0.725 5.045 4.320 -0.000 0.000 0.281 746 A C -0.059 177.460 177.584 -0.108 0.000 1.372 746 A CA -0.433 51.549 52.037 -0.092 0.000 0.886 746 A CB 0.987 19.888 19.000 -0.165 0.000 1.462 746 A HN 0.711 nan 8.150 nan 0.000 0.514 747 V N 0.313 120.067 119.914 -0.267 0.000 4.337 747 V HA 0.167 4.287 4.120 -0.000 0.000 0.689 747 V C -0.445 175.604 176.094 -0.075 0.000 2.062 747 V CA -0.445 61.796 62.300 -0.097 0.000 2.964 747 V CB -1.125 30.705 31.823 0.011 0.000 1.062 747 V HN 0.932 nan 8.190 nan 0.000 0.630 748 H N 0.322 119.459 119.070 0.111 0.000 3.164 748 H HA 0.079 4.635 4.556 -0.000 0.000 0.340 748 H C -0.055 175.326 175.328 0.089 0.000 1.101 748 H CA 1.358 57.465 56.048 0.099 0.000 1.331 748 H CB 0.530 30.331 29.762 0.064 0.000 1.231 748 H HN 0.263 nan 8.280 nan 0.000 0.602 749 V N 4.511 124.523 119.914 0.164 0.000 2.483 749 V HA 0.189 4.309 4.120 -0.000 0.000 0.297 749 V C -1.861 174.170 176.094 -0.105 0.000 1.027 749 V CA -1.649 60.645 62.300 -0.009 0.000 0.855 749 V CB 1.780 33.469 31.823 -0.224 0.000 0.995 749 V HN 0.655 nan 8.190 nan 0.000 0.424 750 P HA 0.145 nan 4.420 nan 0.000 0.268 750 P C 0.006 177.197 177.300 -0.181 0.000 1.205 750 P CA -0.012 63.036 63.100 -0.086 0.000 0.771 750 P CB 1.790 33.469 31.700 -0.035 0.000 0.858 751 L N 2.118 123.260 121.223 -0.135 0.000 2.920 751 L HA 0.134 4.474 4.340 -0.000 0.000 0.257 751 L C 0.416 177.291 176.870 0.009 0.000 1.150 751 L CA 0.561 55.327 54.840 -0.123 0.000 0.959 751 L CB 0.277 42.192 42.059 -0.240 0.000 1.321 751 L HN 0.299 nan 8.230 nan 0.000 0.555 752 S N -1.731 113.982 115.700 0.021 0.000 2.150 752 S HA 0.283 4.753 4.470 -0.000 0.000 0.171 752 S C 1.000 175.664 174.600 0.105 0.000 1.620 752 S CA 0.158 58.397 58.200 0.065 0.000 1.190 752 S CB 0.800 64.038 63.200 0.063 0.000 1.102 752 S HN 0.261 nan 8.310 nan 0.000 0.464 753 S N 2.638 118.391 115.700 0.089 0.000 2.659 753 S HA -0.430 4.040 4.470 -0.000 0.000 0.489 753 S C 1.193 175.871 174.600 0.129 0.000 1.066 753 S CA 2.363 60.612 58.200 0.080 0.000 2.859 753 S CB -1.666 61.562 63.200 0.047 0.000 2.084 753 S HN 0.761 nan 8.310 nan 0.000 0.507 754 F N 2.049 122.003 119.950 0.007 0.000 2.087 754 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 754 F C 2.657 178.457 175.800 -0.001 0.000 1.100 754 F CA 1.629 59.631 58.000 0.004 0.000 1.226 754 F CB -0.659 38.340 39.000 -0.002 0.000 0.983 754 F HN 0.496 nan 8.300 nan 0.000 0.479 755 A N -0.955 121.996 122.820 0.217 0.000 2.019 755 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 755 A C 1.833 179.459 177.584 0.070 0.000 1.164 755 A CA 1.860 53.948 52.037 0.084 0.000 0.644 755 A CB -0.673 18.343 19.000 0.027 0.000 0.805 755 A HN 0.541 nan 8.150 nan 0.000 0.449 756 Q N -0.482 119.365 119.800 0.078 0.000 2.061 756 Q HA 0.189 4.529 4.340 -0.000 0.000 0.195 756 Q C 2.098 178.141 176.000 0.071 0.000 0.967 756 Q CA 1.806 57.638 55.803 0.048 0.000 0.829 756 Q CB -0.579 28.176 28.738 0.028 0.000 0.900 756 Q HN 0.472 nan 8.270 nan 0.000 0.450 757 A N 0.952 123.829 122.820 0.095 0.000 1.978 757 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 757 A C 1.737 179.392 177.584 0.119 0.000 1.170 757 A CA 1.833 53.927 52.037 0.095 0.000 0.636 757 A CB -0.711 18.336 19.000 0.078 0.000 0.810 757 A HN 0.690 nan 8.150 nan 0.000 0.448 758 E N -1.049 119.239 120.200 0.147 0.000 2.447 758 E HA 0.375 4.725 4.350 -0.000 0.000 0.195 758 E C 1.166 177.811 176.600 0.075 0.000 1.028 758 E CA 0.526 56.998 56.400 0.119 0.000 0.876 758 E CB -0.046 29.724 29.700 0.117 0.000 0.885 758 E HN 0.411 nan 8.360 nan 0.000 0.500 759 A N 2.151 125.009 122.820 0.064 0.000 2.460 759 A HA 0.177 4.497 4.320 -0.000 0.000 0.258 759 A C 1.272 178.886 177.584 0.050 0.000 1.300 759 A CA -0.364 51.698 52.037 0.041 0.000 0.913 759 A CB -0.383 18.633 19.000 0.026 0.000 1.031 759 A HN 0.299 nan 8.150 nan 0.000 0.512 760 R N -1.520 119.029 120.500 0.082 0.000 2.534 760 R HA 0.509 4.849 4.340 -0.000 0.000 0.438 760 R C -0.187 176.224 176.300 0.184 0.000 0.913 760 R CA -0.034 56.136 56.100 0.116 0.000 1.130 760 R CB -0.291 30.060 30.300 0.085 0.000 1.611 760 R HN 0.273 nan 8.270 nan 0.000 0.571 761 I N -0.020 120.636 120.570 0.144 0.000 4.916 761 I HA 0.054 4.224 4.170 -0.000 0.000 0.335 761 I C 1.234 177.393 176.117 0.070 0.000 1.274 761 I CA 0.114 61.456 61.300 0.069 0.000 1.365 761 I CB 0.933 38.959 38.000 0.042 0.000 1.395 761 I HN 0.172 nan 8.210 nan 0.000 0.485 762 Q N 0.928 120.790 119.800 0.105 0.000 2.511 762 Q HA 0.212 4.552 4.340 -0.000 0.000 0.236 762 Q C 1.566 177.630 176.000 0.107 0.000 0.893 762 Q CA 0.348 56.206 55.803 0.092 0.000 0.947 762 Q CB 0.413 29.191 28.738 0.068 0.000 1.110 762 Q HN 0.393 nan 8.270 nan 0.000 0.591 763 M N 0.447 120.099 119.600 0.086 0.000 2.576 763 M HA 0.420 4.900 4.480 -0.000 0.000 0.322 763 M C -0.290 176.007 176.300 -0.005 0.000 1.184 763 M CA -0.466 54.860 55.300 0.044 0.000 0.967 763 M CB 0.370 32.974 32.600 0.006 0.000 1.372 763 M HN -0.002 nan 8.290 nan 0.000 0.509 764 L N 2.314 123.561 121.223 0.040 0.000 2.367 764 L HA 0.306 4.646 4.340 -0.000 0.000 0.275 764 L C 1.435 178.200 176.870 -0.175 0.000 1.129 764 L CA 0.564 55.341 54.840 -0.105 0.000 0.839 764 L CB 1.462 43.458 42.059 -0.105 0.000 1.133 764 L HN 0.501 nan 8.230 nan 0.000 0.453 765 S N 3.730 119.238 115.700 -0.320 0.000 2.407 765 S HA -0.233 4.237 4.470 -0.000 0.000 0.235 765 S C 1.702 176.287 174.600 -0.025 0.000 1.036 765 S CA 1.075 59.181 58.200 -0.156 0.000 1.013 765 S CB -0.802 62.305 63.200 -0.156 0.000 0.820 765 S HN 0.914 nan 8.310 nan 0.000 0.476 766 A N 1.243 123.990 122.820 -0.123 0.000 2.121 766 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 766 A C 1.881 179.372 177.584 -0.155 0.000 1.154 766 A CA 1.255 53.191 52.037 -0.168 0.000 0.679 766 A CB -0.538 18.295 19.000 -0.278 0.000 0.795 766 A HN 0.798 nan 8.150 nan 0.000 0.458 767 H N -1.492 117.632 119.070 0.091 0.000 2.398 767 H HA 0.102 4.658 4.556 -0.000 0.000 0.279 767 H C 0.793 176.201 175.328 0.133 0.000 1.114 767 H CA 0.237 56.344 56.048 0.100 0.000 1.609 767 H CB -0.856 28.950 29.762 0.074 0.000 1.460 767 H HN 0.354 nan 8.280 nan 0.000 0.608 768 N N 1.690 120.549 118.700 0.264 0.000 2.626 768 N HA -0.042 4.698 4.740 -0.000 0.000 0.226 768 N C 0.752 176.349 175.510 0.145 0.000 1.376 768 N CA 0.053 53.211 53.050 0.179 0.000 0.894 768 N CB -0.076 38.495 38.487 0.140 0.000 1.218 768 N HN 0.319 nan 8.380 nan 0.000 0.492 769 L N -0.496 120.822 121.223 0.158 0.000 2.666 769 L HA 0.219 4.559 4.340 -0.000 0.000 0.184 769 L C -0.158 176.788 176.870 0.128 0.000 1.092 769 L CA -0.149 54.780 54.840 0.149 0.000 0.857 769 L CB 0.081 42.234 42.059 0.157 0.000 1.281 769 L HN 0.007 nan 8.230 nan 0.000 0.489 770 L N 1.859 123.182 121.223 0.166 0.000 2.601 770 L HA -0.003 4.337 4.340 -0.000 0.000 0.277 770 L C 0.415 177.223 176.870 -0.103 0.000 1.219 770 L CA 0.904 55.822 54.840 0.131 0.000 0.915 770 L CB -0.337 41.968 42.059 0.410 0.000 1.160 770 L HN 0.244 nan 8.230 nan 0.000 0.494 771 S N 2.827 118.413 115.700 -0.190 0.000 3.516 771 S HA -0.086 4.384 4.470 -0.000 0.000 0.562 771 S C -2.227 172.306 174.600 -0.111 0.000 0.655 771 S CA -0.376 57.668 58.200 -0.259 0.000 1.400 771 S CB -1.131 61.658 63.200 -0.685 0.000 0.946 771 S HN 0.616 nan 8.310 nan 0.000 0.871 772 P HA 0.562 nan 4.420 nan 0.000 0.303 772 P C -0.113 177.181 177.300 -0.011 0.000 1.350 772 P CA -0.403 62.696 63.100 -0.002 0.000 0.880 772 P CB 1.421 33.126 31.700 0.008 0.000 1.018 773 A N 3.132 125.969 122.820 0.027 0.000 1.898 773 A HA -0.004 4.316 4.320 -0.000 0.000 0.338 773 A C 0.518 178.137 177.584 0.059 0.000 0.853 773 A CA 1.362 53.445 52.037 0.076 0.000 1.514 773 A CB -2.078 16.966 19.000 0.074 0.000 0.632 773 A HN 0.578 nan 8.150 nan 0.000 0.231 774 S N -0.397 115.347 115.700 0.073 0.000 4.103 774 S HA 0.319 4.788 4.470 -0.000 0.000 0.440 774 S C 1.478 176.038 174.600 -0.066 0.000 0.807 774 S CA 0.638 58.859 58.200 0.035 0.000 1.028 774 S CB -1.411 61.834 63.200 0.075 0.000 0.663 774 S HN 2.914 nan 8.310 nan 0.000 0.646 775 G N 1.966 110.658 108.800 -0.180 0.000 2.866 775 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.274 775 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.274 775 G C -0.166 174.746 174.900 0.021 0.000 1.413 775 G CA 0.157 45.146 45.100 -0.184 0.000 0.997 775 G HN 0.827 nan 8.290 nan 0.000 0.559 776 E N 3.411 123.648 120.200 0.061 0.000 2.478 776 E HA 0.243 4.593 4.350 -0.000 0.000 0.262 776 E C -2.268 174.393 176.600 0.101 0.000 1.243 776 E CA -0.289 56.188 56.400 0.129 0.000 1.039 776 E CB -0.148 29.593 29.700 0.069 0.000 0.983 776 E HN 0.503 nan 8.360 nan 0.000 0.479 777 P HA 0.032 nan 4.420 nan 0.000 0.282 777 P C 0.417 177.751 177.300 0.056 0.000 1.262 777 P CA -0.309 62.829 63.100 0.063 0.000 0.773 777 P CB 0.964 32.729 31.700 0.108 0.000 0.879 778 L N 4.044 125.293 121.223 0.043 0.000 2.127 778 L HA 0.145 4.484 4.340 -0.000 0.000 0.203 778 L C 1.110 178.025 176.870 0.074 0.000 1.080 778 L CA 1.321 56.194 54.840 0.053 0.000 0.768 778 L CB -1.523 40.574 42.059 0.063 0.000 0.924 778 L HN 0.322 nan 8.230 nan 0.000 0.444 779 A N 2.113 124.985 122.820 0.087 0.000 2.807 779 A HA 0.355 4.675 4.320 -0.000 0.000 0.307 779 A C 0.260 177.902 177.584 0.098 0.000 1.532 779 A CA -0.440 51.656 52.037 0.097 0.000 1.215 779 A CB -0.705 18.370 19.000 0.124 0.000 1.127 779 A HN 0.441 nan 8.150 nan 0.000 0.543 780 K N 2.033 122.482 120.400 0.082 0.000 2.400 780 K HA 0.771 5.091 4.320 -0.000 0.000 0.246 780 K C -3.124 173.520 176.600 0.073 0.000 0.995 780 K CA -2.160 54.180 56.287 0.088 0.000 0.840 780 K CB 1.771 34.320 32.500 0.082 0.000 1.293 780 K HN 0.208 nan 8.250 nan 0.000 0.445 781 P HA -0.011 nan 4.420 nan 0.000 0.270 781 P C -0.678 176.638 177.300 0.027 0.000 1.223 781 P CA -0.093 63.042 63.100 0.059 0.000 0.785 781 P CB 0.973 32.724 31.700 0.085 0.000 0.923 782 S N -1.177 114.515 115.700 -0.014 0.000 2.672 782 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 782 S C -0.063 174.503 174.600 -0.058 0.000 1.171 782 S CA -0.711 57.476 58.200 -0.021 0.000 0.817 782 S CB 0.356 63.554 63.200 -0.003 0.000 1.150 782 S HN 0.557 nan 8.310 nan 0.000 0.478 783 R N 0.836 121.315 120.500 -0.035 0.000 4.610 783 R HA 0.026 4.366 4.340 -0.000 0.000 0.124 783 R C 0.646 176.901 176.300 -0.074 0.000 0.235 783 R CA 1.769 57.846 56.100 -0.038 0.000 0.854 783 R CB -2.536 27.760 30.300 -0.008 0.000 1.052 783 R HN 0.980 nan 8.270 nan 0.000 0.286 784 D N -0.646 119.689 120.400 -0.107 0.000 2.316 784 D HA -0.158 4.482 4.640 -0.000 0.000 0.205 784 D C 1.186 177.329 176.300 -0.261 0.000 0.803 784 D CA 1.171 55.075 54.000 -0.160 0.000 0.961 784 D CB -0.920 39.782 40.800 -0.163 0.000 1.426 784 D HN 0.476 nan 8.370 nan 0.000 0.654 785 I N 1.496 121.888 120.570 -0.298 0.000 2.339 785 I HA -0.011 4.159 4.170 -0.000 0.000 0.245 785 I C 2.504 178.590 176.117 -0.053 0.000 1.096 785 I CA 0.633 61.780 61.300 -0.255 0.000 1.408 785 I CB -0.237 37.637 38.000 -0.212 0.000 1.092 785 I HN 0.011 nan 8.210 nan 0.000 0.423 786 I N 0.776 121.329 120.570 -0.028 0.000 2.756 786 I HA -0.250 3.920 4.170 -0.000 0.000 0.262 786 I C 2.448 178.598 176.117 0.054 0.000 1.225 786 I CA 0.779 62.100 61.300 0.034 0.000 1.472 786 I CB -0.238 37.772 38.000 0.016 0.000 1.094 786 I HN 0.246 nan 8.210 nan 0.000 0.454 787 L N 1.076 122.304 121.223 0.007 0.000 2.056 787 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 787 L C 2.289 179.226 176.870 0.111 0.000 1.078 787 L CA 2.098 56.953 54.840 0.024 0.000 0.749 787 L CB -1.079 40.958 42.059 -0.037 0.000 0.901 787 L HN 0.154 nan 8.230 nan 0.000 0.433 788 G N -0.914 107.936 108.800 0.084 0.000 2.396 788 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.214 788 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.214 788 G C 1.562 176.591 174.900 0.214 0.000 1.166 788 G CA 0.482 45.663 45.100 0.135 0.000 0.793 788 G HN 0.351 nan 8.290 nan 0.000 0.533 789 L N -0.620 120.720 121.223 0.197 0.000 2.261 789 L HA -0.078 4.262 4.340 -0.000 0.000 0.216 789 L C 2.452 179.413 176.870 0.152 0.000 1.114 789 L CA 1.007 55.970 54.840 0.205 0.000 0.777 789 L CB -0.266 41.914 42.059 0.202 0.000 0.910 789 L HN 0.362 nan 8.230 nan 0.000 0.440 790 Y N -0.967 119.378 120.300 0.075 0.000 2.177 790 Y HA -0.223 4.327 4.550 -0.000 0.000 0.291 790 Y C 2.466 178.452 175.900 0.142 0.000 1.117 790 Y CA 1.152 59.282 58.100 0.051 0.000 1.114 790 Y CB -0.464 38.025 38.460 0.048 0.000 1.017 790 Y HN -0.063 nan 8.280 nan 0.000 0.505 791 Y N 0.278 120.773 120.300 0.326 0.000 2.283 791 Y HA -0.209 4.341 4.550 -0.000 0.000 0.285 791 Y C 1.040 177.068 175.900 0.214 0.000 1.176 791 Y CA 1.472 59.769 58.100 0.328 0.000 1.229 791 Y CB -0.350 38.275 38.460 0.276 0.000 0.975 791 Y HN 0.114 nan 8.280 nan 0.000 0.537 792 I N -0.466 120.265 120.570 0.268 0.000 3.712 792 I HA 0.096 4.266 4.170 -0.000 0.000 0.342 792 I C 0.189 176.352 176.117 0.077 0.000 1.487 792 I CA 0.335 61.737 61.300 0.171 0.000 1.179 792 I CB -0.296 37.814 38.000 0.184 0.000 1.403 792 I HN -0.082 nan 8.210 nan 0.000 0.444 793 T N -1.636 112.911 114.554 -0.011 0.000 4.441 793 T HA 0.070 4.419 4.350 -0.000 0.000 0.323 793 T C 1.040 175.588 174.700 -0.253 0.000 0.885 793 T CA -0.260 61.758 62.100 -0.137 0.000 0.878 793 T CB 0.105 68.823 68.868 -0.250 0.000 1.042 793 T HN 0.050 nan 8.240 nan 0.000 0.485 794 Q N 0.891 120.592 119.800 -0.165 0.000 2.402 794 Q HA 0.386 4.726 4.340 -0.000 0.000 0.231 794 Q C 0.771 176.729 176.000 -0.070 0.000 0.888 794 Q CA 0.462 56.109 55.803 -0.259 0.000 0.938 794 Q CB 0.688 29.132 28.738 -0.490 0.000 1.086 794 Q HN 0.423 nan 8.270 nan 0.000 0.543 795 V N 0.874 120.829 119.914 0.068 0.000 3.637 795 V HA -0.305 3.815 4.120 -0.000 0.000 0.519 795 V C -0.126 176.073 176.094 0.175 0.000 0.682 795 V CA 0.845 63.188 62.300 0.071 0.000 2.075 795 V CB -0.443 31.384 31.823 0.007 0.000 2.490 795 V HN 0.358 nan 8.190 nan 0.000 0.513 796 R N 0.658 121.232 120.500 0.122 0.000 2.987 796 R HA 0.908 5.247 4.340 -0.000 0.000 0.248 796 R C -0.221 176.133 176.300 0.090 0.000 1.264 796 R CA -0.306 55.893 56.100 0.165 0.000 1.026 796 R CB 1.279 31.636 30.300 0.096 0.000 1.286 796 R HN 1.136 nan 8.270 nan 0.000 0.483 797 K N 1.229 121.683 120.400 0.090 0.000 3.439 797 K HA 0.082 4.402 4.320 -0.000 0.000 0.170 797 K C 0.715 177.341 176.600 0.042 0.000 1.035 797 K CA -0.140 56.177 56.287 0.050 0.000 0.794 797 K CB -0.157 32.367 32.500 0.040 0.000 0.795 797 K HN 0.768 nan 8.250 nan 0.000 0.519 798 E N 0.534 120.757 120.200 0.037 0.000 2.187 798 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 798 E C 0.843 177.454 176.600 0.018 0.000 1.004 798 E CA 1.429 57.846 56.400 0.027 0.000 0.813 798 E CB -1.196 28.514 29.700 0.016 0.000 0.736 798 E HN 1.166 nan 8.360 nan 0.000 0.468 799 K N 0.414 120.823 120.400 0.014 0.000 5.502 799 K HA -0.114 4.206 4.320 -0.000 0.000 0.379 799 K C 0.266 176.869 176.600 0.005 0.000 0.908 799 K CA 1.780 58.071 56.287 0.007 0.000 1.130 799 K CB -2.784 29.718 32.500 0.003 0.000 1.893 799 K HN 0.739 nan 8.250 nan 0.000 0.379 800 K N 0.455 120.858 120.400 0.005 0.000 3.045 800 K HA 0.669 4.989 4.320 -0.000 0.000 0.211 800 K C 1.267 177.869 176.600 0.003 0.000 1.141 800 K CA 0.859 57.148 56.287 0.005 0.000 1.036 800 K CB -0.252 32.251 32.500 0.006 0.000 0.851 800 K HN 2.617 nan 8.250 nan 0.000 0.462 801 G N -0.924 107.877 108.800 0.002 0.000 2.742 801 G HA2 0.495 4.455 3.960 -0.000 0.000 0.686 801 G HA3 0.495 4.455 3.960 -0.000 0.000 0.686 801 G C -0.173 174.727 174.900 0.000 0.000 1.220 801 G CA -0.094 45.007 45.100 0.001 0.000 0.783 801 G HN 1.478 nan 8.290 nan 0.000 0.646 802 A N 1.264 124.084 122.820 -0.001 0.000 3.214 802 A HA 0.823 5.143 4.320 -0.000 0.000 0.304 802 A C 1.229 178.812 177.584 -0.001 0.000 0.969 802 A CA 1.027 53.063 52.037 -0.001 0.000 0.986 802 A CB -0.116 18.883 19.000 -0.002 0.000 1.073 802 A HN 2.227 nan 8.150 nan 0.000 0.487 803 G N 0.076 108.876 108.800 -0.000 0.000 2.467 803 G HA2 0.539 4.499 3.960 -0.000 0.000 0.243 803 G HA3 0.539 4.499 3.960 -0.000 0.000 0.243 803 G C 0.353 175.253 174.900 -0.001 0.000 1.521 803 G CA 0.866 45.966 45.100 -0.000 0.000 1.055 803 G HN 1.387 nan 8.290 nan 0.000 0.553 804 M N -3.180 116.420 119.600 -0.000 0.000 2.775 804 M HA 0.880 5.359 4.480 -0.000 0.000 0.296 804 M C 0.576 176.876 176.300 -0.000 0.000 1.248 804 M CA 0.145 55.444 55.300 -0.000 0.000 0.800 804 M CB 0.836 33.436 32.600 -0.001 0.000 1.765 804 M HN 2.041 nan 8.290 nan 0.000 0.472 805 A N -2.539 120.281 122.820 -0.000 0.000 1.838 805 A HA 0.689 5.009 4.320 -0.000 0.000 0.193 805 A C 1.561 179.145 177.584 -0.000 0.000 1.607 805 A CA 2.632 54.669 52.037 -0.000 0.000 1.618 805 A CB -0.898 18.102 19.000 0.000 0.000 1.539 805 A HN 3.016 nan 8.150 nan 0.000 0.618 806 F N -0.943 119.007 119.950 -0.000 0.000 2.516 806 F HA 0.065 4.591 4.527 -0.000 0.000 0.753 806 F C 1.731 177.531 175.800 -0.000 0.000 0.486 806 F CA 1.662 59.662 58.000 -0.000 0.000 0.796 806 F CB -2.005 36.995 39.000 -0.000 0.000 1.634 806 F HN 1.975 nan 8.300 nan 0.000 0.279 807 A N 0.834 123.654 122.820 0.000 0.000 3.003 807 A HA 0.574 4.894 4.320 -0.000 0.000 0.301 807 A C 1.000 178.584 177.584 0.000 0.000 1.280 807 A CA 1.452 53.489 52.037 0.000 0.000 0.973 807 A CB -1.182 17.818 19.000 0.000 0.000 1.110 807 A HN 2.413 nan 8.150 nan 0.000 0.590 808 T N 0.237 114.791 114.554 0.000 0.000 4.146 808 T HA -0.125 4.225 4.350 -0.000 0.000 0.336 808 T C -1.733 172.967 174.700 0.000 0.000 0.762 808 T CA 0.876 62.976 62.100 0.000 0.000 1.914 808 T CB -2.122 66.746 68.868 0.000 0.000 1.897 808 T HN 0.569 nan 8.240 nan 0.000 0.862 809 P HA 0.040 nan 4.420 nan 0.000 0.272 809 P C 1.121 178.421 177.300 0.001 0.000 1.225 809 P CA -0.066 63.034 63.100 0.000 0.000 0.800 809 P CB 0.444 32.145 31.700 0.000 0.000 0.894 810 E N 0.950 121.150 120.200 0.001 0.000 2.339 810 E HA -0.321 4.029 4.350 -0.000 0.000 0.201 810 E C 1.936 178.537 176.600 0.001 0.000 1.015 810 E CA 1.498 57.898 56.400 0.001 0.000 0.841 810 E CB -0.242 29.459 29.700 0.001 0.000 0.754 810 E HN 0.521 nan 8.360 nan 0.000 0.508 811 E N 0.536 120.737 120.200 0.001 0.000 2.236 811 E HA -0.321 4.029 4.350 -0.000 0.000 0.205 811 E C 1.888 178.489 176.600 0.001 0.000 1.028 811 E CA 1.789 58.190 56.400 0.001 0.000 0.827 811 E CB -1.063 28.638 29.700 0.001 0.000 0.735 811 E HN 0.571 nan 8.360 nan 0.000 0.470 812 A N -0.071 122.749 122.820 0.001 0.000 1.869 812 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 812 A C 2.804 180.389 177.584 0.001 0.000 1.203 812 A CA 3.751 55.788 52.037 0.001 0.000 0.638 812 A CB -0.904 18.096 19.000 0.000 0.000 0.831 812 A HN 1.438 nan 8.150 nan 0.000 0.450 813 L N -2.120 119.104 121.223 0.001 0.000 2.463 813 L HA 0.619 4.958 4.340 -0.000 0.000 0.219 813 L C 2.780 179.651 176.870 0.002 0.000 1.088 813 L CA 1.663 56.504 54.840 0.002 0.000 0.849 813 L CB -2.047 40.013 42.059 0.002 0.000 1.012 813 L HN 0.713 nan 8.230 nan 0.000 0.468 814 A N 0.140 122.961 122.820 0.001 0.000 1.908 814 A HA 0.039 4.358 4.320 -0.000 0.000 0.218 814 A C 2.767 180.352 177.584 0.002 0.000 1.181 814 A CA 2.247 54.285 52.037 0.002 0.000 0.627 814 A CB -0.916 18.085 19.000 0.001 0.000 0.818 814 A HN 1.302 nan 8.150 nan 0.000 0.445 815 A N -1.482 121.338 122.820 0.002 0.000 1.972 815 A HA 0.107 4.427 4.320 -0.000 0.000 0.219 815 A C 1.710 179.296 177.584 0.002 0.000 1.169 815 A CA 1.320 53.358 52.037 0.002 0.000 0.635 815 A CB -1.391 17.610 19.000 0.002 0.000 0.810 815 A HN 1.369 nan 8.150 nan 0.000 0.446 816 Y N -0.661 119.640 120.300 0.002 0.000 2.559 816 Y HA 0.441 4.990 4.550 -0.000 0.000 0.344 816 Y C 1.050 176.952 175.900 0.003 0.000 1.257 816 Y CA 1.345 59.447 58.100 0.002 0.000 1.839 816 Y CB -1.720 36.742 38.460 0.002 0.000 1.648 816 Y HN 0.820 nan 8.280 nan 0.000 0.445 817 E N 1.118 121.320 120.200 0.003 0.000 2.932 817 E HA 0.435 4.785 4.350 -0.000 0.000 0.275 817 E C 0.325 176.926 176.600 0.003 0.000 1.151 817 E CA 0.589 56.990 56.400 0.003 0.000 1.978 817 E CB 0.250 29.951 29.700 0.003 0.000 2.499 817 E HN 1.221 nan 8.360 nan 0.000 1.028 818 R N -1.787 118.715 120.500 0.003 0.000 2.858 818 R HA 0.507 4.846 4.340 -0.000 0.000 0.252 818 R C 0.633 176.936 176.300 0.004 0.000 1.063 818 R CA -0.077 56.025 56.100 0.004 0.000 0.955 818 R CB 0.694 30.996 30.300 0.004 0.000 1.259 818 R HN 1.847 nan 8.270 nan 0.000 0.477 819 G N 0.406 109.208 108.800 0.004 0.000 2.642 819 G HA2 0.109 4.069 3.960 -0.000 0.000 0.231 819 G HA3 0.109 4.069 3.960 -0.000 0.000 0.231 819 G C 0.322 175.225 174.900 0.004 0.000 1.338 819 G CA 0.954 46.056 45.100 0.004 0.000 0.883 819 G HN 2.202 nan 8.290 nan 0.000 0.570 820 E N -3.151 117.051 120.200 0.003 0.000 2.160 820 E HA 0.337 4.687 4.350 -0.000 0.000 0.180 820 E C 1.600 178.201 176.600 0.003 0.000 1.452 820 E CA 2.084 58.486 56.400 0.003 0.000 0.683 820 E CB -2.409 27.292 29.700 0.002 0.000 1.072 820 E HN 2.516 nan 8.360 nan 0.000 0.332 821 V N -0.480 119.436 119.914 0.004 0.000 2.811 821 V HA 0.769 4.888 4.120 -0.000 0.000 0.302 821 V C 1.474 177.570 176.094 0.004 0.000 1.063 821 V CA 0.088 62.391 62.300 0.004 0.000 1.088 821 V CB 1.288 33.115 31.823 0.005 0.000 0.982 821 V HN 1.913 nan 8.190 nan 0.000 0.485 822 A N 3.638 126.460 122.820 0.003 0.000 2.901 822 A HA 0.659 4.979 4.320 -0.000 0.000 0.289 822 A C 0.024 177.611 177.584 0.005 0.000 1.779 822 A CA 1.105 53.144 52.037 0.003 0.000 1.352 822 A CB -1.689 17.311 19.000 0.002 0.000 1.008 822 A HN 2.801 nan 8.150 nan 0.000 0.596 823 L N -0.241 120.985 121.223 0.005 0.000 3.679 823 L HA 0.621 4.960 4.340 -0.000 0.000 0.250 823 L C 0.199 177.071 176.870 0.004 0.000 0.994 823 L CA 0.462 55.306 54.840 0.006 0.000 1.310 823 L CB -1.055 41.009 42.059 0.010 0.000 1.929 823 L HN 2.351 nan 8.230 nan 0.000 0.672 824 N N 0.371 119.072 118.700 0.002 0.000 3.454 824 N HA 0.384 5.124 4.740 -0.000 0.000 0.234 824 N C 2.180 177.690 175.510 0.000 0.000 0.266 824 N CA 1.755 54.805 53.050 0.001 0.000 3.588 824 N CB -1.851 36.636 38.487 0.000 0.000 1.255 824 N HN 2.909 nan 8.380 nan 0.000 0.258 825 A N 2.326 125.146 122.820 0.000 0.000 2.062 825 A HA 0.464 4.783 4.320 -0.000 0.000 0.330 825 A C -0.187 177.396 177.584 -0.000 0.000 0.781 825 A CA 2.155 54.192 52.037 -0.000 0.000 1.457 825 A CB -1.706 17.294 19.000 0.000 0.000 0.630 825 A HN 2.109 nan 8.150 nan 0.000 0.241 826 P HA 0.757 nan 4.420 nan 0.000 0.282 826 P C 0.812 178.111 177.300 -0.000 0.000 1.286 826 P CA 2.670 65.769 63.100 -0.001 0.000 0.777 826 P CB 0.785 32.484 31.700 -0.001 0.000 1.184 827 I N -3.571 116.999 120.570 -0.000 0.000 4.459 827 I HA 0.235 4.405 4.170 -0.000 0.000 0.284 827 I C 1.093 177.209 176.117 -0.000 0.000 1.075 827 I CA 1.374 62.674 61.300 -0.000 0.000 1.426 827 I CB -0.481 37.519 38.000 -0.000 0.000 2.037 827 I HN 0.345 nan 8.210 nan 0.000 0.497 828 V N -1.088 118.825 119.914 -0.000 0.000 3.943 828 V HA 0.531 4.651 4.120 -0.000 0.000 0.279 828 V C 1.019 177.112 176.094 -0.000 0.000 1.780 828 V CA 1.194 63.493 62.300 -0.000 0.000 1.248 828 V CB 0.601 32.424 31.823 -0.000 0.000 0.998 828 V HN 2.050 nan 8.190 nan 0.000 0.350 829 V N -1.657 118.256 119.914 -0.000 0.000 3.331 829 V HA 0.854 4.974 4.120 -0.000 0.000 0.259 829 V C 0.493 176.587 176.094 -0.001 0.000 1.735 829 V CA 1.112 63.412 62.300 -0.001 0.000 1.032 829 V CB 0.775 32.598 31.823 -0.000 0.000 0.892 829 V HN 1.605 nan 8.190 nan 0.000 0.384 830 A N -0.538 122.282 122.820 -0.001 0.000 3.457 830 A HA 0.545 4.865 4.320 -0.000 0.000 0.638 830 A C 1.459 179.043 177.584 -0.000 0.000 0.693 830 A CA 0.692 52.729 52.037 -0.000 0.000 0.259 830 A CB -1.787 17.213 19.000 -0.001 0.000 3.678 830 A HN 3.146 nan 8.150 nan 0.000 0.526 831 G N -1.206 107.595 108.800 0.000 0.000 3.190 831 G HA2 0.280 4.240 3.960 -0.000 0.000 0.686 831 G HA3 0.280 4.240 3.960 -0.000 0.000 0.686 831 G C 0.096 174.996 174.900 0.001 0.000 1.033 831 G CA 0.826 45.926 45.100 0.001 0.000 0.797 831 G HN 2.123 nan 8.290 nan 0.000 0.567 832 R N 1.056 121.557 120.500 0.001 0.000 2.254 832 R HA 0.357 4.697 4.340 -0.000 0.000 0.195 832 R C 1.486 177.786 176.300 0.000 0.000 0.957 832 R CA 1.394 57.495 56.100 0.001 0.000 1.024 832 R CB 0.068 30.369 30.300 0.001 0.000 0.952 832 R HN 0.972 nan 8.270 nan 0.000 0.484 833 E N 0.881 121.081 120.200 0.000 0.000 1.999 833 E HA 0.072 4.422 4.350 -0.000 0.000 0.296 833 E C 0.036 176.635 176.600 -0.001 0.000 1.187 833 E CA 0.136 56.536 56.400 -0.001 0.000 1.229 833 E CB -0.070 29.630 29.700 -0.000 0.000 1.131 833 E HN 0.418 nan 8.360 nan 0.000 0.478 834 T N -1.545 113.008 114.554 -0.001 0.000 2.954 834 T HA 0.057 4.407 4.350 -0.000 0.000 0.252 834 T C 2.031 176.730 174.700 -0.001 0.000 0.983 834 T CA 0.591 62.690 62.100 -0.001 0.000 0.941 834 T CB 0.387 69.255 68.868 -0.000 0.000 1.141 834 T HN 0.431 nan 8.240 nan 0.000 0.500 835 S N 1.758 117.457 115.700 -0.001 0.000 2.459 835 S HA -0.032 4.438 4.470 -0.000 0.000 0.204 835 S C 0.865 175.463 174.600 -0.004 0.000 1.102 835 S CA 0.778 58.977 58.200 -0.002 0.000 1.258 835 S CB -0.579 62.620 63.200 -0.001 0.000 1.033 835 S HN 0.240 nan 8.310 nan 0.000 0.398 836 V N 1.788 121.699 119.914 -0.005 0.000 2.393 836 V HA 0.426 4.546 4.120 -0.000 0.000 0.257 836 V C 0.741 176.831 176.094 -0.007 0.000 1.040 836 V CA 0.432 62.727 62.300 -0.008 0.000 1.097 836 V CB -0.394 31.423 31.823 -0.010 0.000 1.101 836 V HN 0.644 nan 8.190 nan 0.000 0.479 837 G N 3.452 112.248 108.800 -0.007 0.000 4.713 837 G HA2 0.534 4.494 3.960 -0.000 0.000 0.318 837 G HA3 0.534 4.494 3.960 -0.000 0.000 0.318 837 G C 0.521 175.417 174.900 -0.006 0.000 1.435 837 G CA 0.122 45.219 45.100 -0.005 0.000 0.965 837 G HN 0.897 nan 8.290 nan 0.000 0.542 838 R N -0.873 119.622 120.500 -0.009 0.000 2.081 838 R HA 0.689 5.029 4.340 -0.000 0.000 0.080 838 R C 1.347 177.643 176.300 -0.007 0.000 0.455 838 R CA 2.755 58.849 56.100 -0.011 0.000 1.953 838 R CB -0.923 29.369 30.300 -0.015 0.000 0.461 838 R HN 1.956 nan 8.270 nan 0.000 0.717 839 L N -4.754 116.465 121.223 -0.007 0.000 1.802 839 L HA 0.674 5.014 4.340 -0.000 0.000 0.127 839 L C 1.548 178.416 176.870 -0.003 0.000 1.708 839 L CA 1.081 55.919 54.840 -0.004 0.000 1.017 839 L CB -1.427 40.630 42.059 -0.004 0.000 1.742 839 L HN 2.608 nan 8.230 nan 0.000 0.413 840 K N -1.717 118.681 120.400 -0.003 0.000 7.076 840 K HA 0.521 4.841 4.320 -0.000 0.000 0.574 840 K C 0.289 176.889 176.600 0.000 0.000 2.583 840 K CA 1.749 58.035 56.287 -0.002 0.000 2.032 840 K CB -2.688 29.810 32.500 -0.003 0.000 2.232 840 K HN 2.550 nan 8.250 nan 0.000 0.189 841 F N -1.267 118.684 119.950 0.001 0.000 2.990 841 F HA 0.925 5.452 4.527 -0.000 0.000 0.357 841 F C 2.217 178.018 175.800 0.002 0.000 1.395 841 F CA 0.222 58.223 58.000 0.002 0.000 1.087 841 F CB 0.370 39.370 39.000 0.001 0.000 1.655 841 F HN 1.780 nan 8.300 nan 0.000 0.456 842 V N -0.460 119.455 119.914 0.002 0.000 3.140 842 V HA 0.456 4.575 4.120 -0.000 0.000 0.379 842 V C 0.846 176.941 176.094 0.001 0.000 1.296 842 V CA 1.045 63.346 62.300 0.001 0.000 1.351 842 V CB -1.659 30.165 31.823 0.001 0.000 1.311 842 V HN 1.794 nan 8.190 nan 0.000 0.508 843 F N -0.780 119.171 119.950 0.001 0.000 2.537 843 F HA 0.652 5.179 4.527 -0.000 0.000 0.277 843 F C 1.871 177.671 175.800 0.001 0.000 1.013 843 F CA 1.187 59.187 58.000 0.001 0.000 1.332 843 F CB 0.066 39.066 39.000 0.001 0.000 1.108 843 F HN 0.516 nan 8.300 nan 0.000 0.679 844 A N -1.021 121.800 122.820 0.002 0.000 2.498 844 A HA 0.528 4.848 4.320 -0.000 0.000 0.238 844 A C 0.928 178.513 177.584 0.002 0.000 1.225 844 A CA 1.727 53.765 52.037 0.002 0.000 0.978 844 A CB -1.229 17.772 19.000 0.003 0.000 1.142 844 A HN 2.308 nan 8.150 nan 0.000 0.552 845 N N -0.089 118.613 118.700 0.002 0.000 6.320 845 N HA -0.108 4.632 4.740 -0.000 0.000 0.402 845 N C -2.245 173.267 175.510 0.003 0.000 1.032 845 N CA 0.203 53.255 53.050 0.003 0.000 2.000 845 N CB -2.031 36.458 38.487 0.004 0.000 0.715 845 N HN 0.269 nan 8.380 nan 0.000 0.530 846 P HA 0.241 nan 4.420 nan 0.000 0.246 846 P C 0.523 177.823 177.300 -0.000 0.000 1.675 846 P CA 1.459 64.559 63.100 0.002 0.000 0.908 846 P CB -1.266 30.437 31.700 0.006 0.000 1.890 847 D N 0.074 120.473 120.400 -0.001 0.000 2.371 847 D HA -0.079 4.561 4.640 -0.000 0.000 0.221 847 D C 1.729 178.021 176.300 -0.012 0.000 0.986 847 D CA 1.343 55.342 54.000 -0.002 0.000 0.899 847 D CB -0.361 40.440 40.800 0.002 0.000 0.902 847 D HN 0.417 nan 8.370 nan 0.000 0.530 848 E N -0.663 119.526 120.200 -0.019 0.000 2.364 848 E HA 0.548 4.897 4.350 -0.000 0.000 0.196 848 E C 2.338 178.908 176.600 -0.050 0.000 0.990 848 E CA 0.964 57.341 56.400 -0.038 0.000 0.886 848 E CB -0.431 29.250 29.700 -0.032 0.000 0.866 848 E HN 0.718 nan 8.360 nan 0.000 0.493 849 A N 0.967 123.769 122.820 -0.030 0.000 1.858 849 A HA 0.004 4.323 4.320 -0.000 0.000 0.216 849 A C 2.436 179.999 177.584 -0.034 0.000 1.190 849 A CA 1.602 53.622 52.037 -0.027 0.000 0.617 849 A CB -0.491 18.503 19.000 -0.009 0.000 0.827 849 A HN 0.447 nan 8.150 nan 0.000 0.443 850 L N -0.650 120.559 121.223 -0.022 0.000 2.141 850 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 850 L C 2.483 179.328 176.870 -0.042 0.000 1.094 850 L CA 0.878 55.707 54.840 -0.018 0.000 0.763 850 L CB -0.608 41.451 42.059 -0.001 0.000 0.908 850 L HN 0.524 nan 8.230 nan 0.000 0.437 851 L N 0.503 121.685 121.223 -0.067 0.000 2.056 851 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 851 L C 2.572 179.275 176.870 -0.279 0.000 1.078 851 L CA 1.961 56.725 54.840 -0.126 0.000 0.749 851 L CB -0.939 41.054 42.059 -0.110 0.000 0.901 851 L HN 0.072 nan 8.230 nan 0.000 0.433 852 A N -0.661 122.037 122.820 -0.203 0.000 1.972 852 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 852 A C 2.242 179.746 177.584 -0.133 0.000 1.169 852 A CA 1.798 53.715 52.037 -0.200 0.000 0.635 852 A CB -1.063 17.873 19.000 -0.108 0.000 0.810 852 A HN 0.335 nan 8.150 nan 0.000 0.446 853 V N -0.335 119.531 119.914 -0.080 0.000 2.667 853 V HA -0.114 4.006 4.120 -0.000 0.000 0.252 853 V C 2.596 178.687 176.094 -0.005 0.000 1.065 853 V CA 1.203 63.485 62.300 -0.031 0.000 1.083 853 V CB -1.184 30.631 31.823 -0.014 0.000 0.692 853 V HN 0.660 nan 8.190 nan 0.000 0.468 854 A N -0.179 122.638 122.820 -0.006 0.000 2.532 854 A HA -0.096 4.224 4.320 -0.000 0.000 0.180 854 A C 0.797 178.477 177.584 0.162 0.000 1.274 854 A CA 0.402 52.496 52.037 0.095 0.000 0.785 854 A CB -1.109 18.006 19.000 0.191 0.000 0.945 854 A HN 0.657 nan 8.150 nan 0.000 0.536 855 H N 0.344 119.413 119.070 -0.002 0.000 2.912 855 H HA 0.008 4.563 4.556 -0.000 0.000 0.204 855 H C 1.371 176.698 175.328 -0.003 0.000 0.651 855 H CA -0.049 55.998 56.048 -0.002 0.000 1.480 855 H CB -0.956 28.805 29.762 -0.001 0.000 1.401 855 H HN 0.861 nan 8.280 nan 0.000 0.409 856 G N 3.556 112.420 108.800 0.107 0.000 2.176 856 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.273 856 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.273 856 G C 0.143 175.069 174.900 0.043 0.000 0.730 856 G CA 0.491 45.624 45.100 0.056 0.000 0.879 856 G HN 0.364 nan 8.290 nan 0.000 0.454 857 L N -1.044 120.201 121.223 0.038 0.000 2.170 857 L HA 0.584 4.924 4.340 -0.000 0.000 0.247 857 L C 0.947 177.818 176.870 0.001 0.000 1.078 857 L CA -1.407 53.442 54.840 0.015 0.000 0.936 857 L CB 0.947 43.011 42.059 0.008 0.000 1.528 857 L HN 0.202 nan 8.230 nan 0.000 0.455 858 L N 2.924 124.142 121.223 -0.007 0.000 3.627 858 L HA -0.257 4.083 4.340 -0.000 0.000 0.535 858 L C 1.063 177.930 176.870 -0.006 0.000 1.001 858 L CA 0.267 55.101 54.840 -0.009 0.000 1.004 858 L CB -0.549 41.501 42.059 -0.014 0.000 0.850 858 L HN 0.669 nan 8.230 nan 0.000 0.698 859 D N 2.378 122.773 120.400 -0.010 0.000 2.280 859 D HA -0.216 4.424 4.640 -0.000 0.000 0.206 859 D C 2.021 178.320 176.300 -0.002 0.000 0.988 859 D CA 1.629 55.622 54.000 -0.012 0.000 0.886 859 D CB 0.200 40.980 40.800 -0.034 0.000 0.914 859 D HN 0.667 nan 8.370 nan 0.000 0.473 860 L N -1.056 120.168 121.223 0.003 0.000 4.235 860 L HA -0.374 3.966 4.340 -0.000 0.000 0.385 860 L C 0.966 177.853 176.870 0.029 0.000 0.733 860 L CA 2.335 57.187 54.840 0.020 0.000 2.629 860 L CB -1.371 40.705 42.059 0.028 0.000 1.001 860 L HN 0.017 nan 8.230 nan 0.000 0.662 861 Q N 1.824 121.628 119.800 0.006 0.000 2.576 861 Q HA 0.234 4.574 4.340 -0.000 0.000 0.218 861 Q C 0.605 176.610 176.000 0.009 0.000 0.983 861 Q CA 1.559 57.353 55.803 -0.014 0.000 0.920 861 Q CB -0.557 28.086 28.738 -0.159 0.000 0.973 861 Q HN 0.966 nan 8.270 nan 0.000 0.528 862 D N -1.453 118.956 120.400 0.015 0.000 4.313 862 D HA -0.081 4.558 4.640 -0.000 0.000 0.220 862 D C 0.335 176.643 176.300 0.015 0.000 1.433 862 D CA 0.432 54.447 54.000 0.025 0.000 0.991 862 D CB -1.742 39.084 40.800 0.044 0.000 0.428 862 D HN 0.251 nan 8.370 nan 0.000 0.189 863 T N -2.462 112.096 114.554 0.007 0.000 2.985 863 T HA 0.446 4.796 4.350 -0.000 0.000 0.254 863 T C 1.180 175.883 174.700 0.005 0.000 1.021 863 T CA 0.916 63.017 62.100 0.003 0.000 0.957 863 T CB 0.086 68.952 68.868 -0.004 0.000 1.047 863 T HN 2.318 nan 8.240 nan 0.000 0.511 864 V N 1.469 121.387 119.914 0.006 0.000 5.198 864 V HA -0.160 3.960 4.120 -0.000 0.000 0.348 864 V C 0.228 176.323 176.094 0.003 0.000 0.661 864 V CA 0.652 62.954 62.300 0.004 0.000 1.358 864 V CB -2.984 28.841 31.823 0.004 0.000 1.628 864 V HN 0.703 nan 8.190 nan 0.000 0.466 865 T N 2.946 117.502 114.554 0.003 0.000 2.844 865 T HA 0.653 5.003 4.350 -0.000 0.000 0.274 865 T C 0.370 175.071 174.700 0.001 0.000 0.991 865 T CA -0.008 62.092 62.100 0.000 0.000 0.983 865 T CB 1.842 70.709 68.868 -0.002 0.000 1.310 865 T HN 0.682 nan 8.240 nan 0.000 0.596 866 T N 1.891 116.445 114.554 -0.000 0.000 2.829 866 T HA 0.747 5.097 4.350 -0.000 0.000 0.282 866 T C -0.014 174.686 174.700 0.001 0.000 0.990 866 T CA -0.596 61.505 62.100 0.001 0.000 1.028 866 T CB 0.865 69.733 68.868 0.000 0.000 0.951 866 T HN 0.756 nan 8.240 nan 0.000 0.460 867 R N 0.274 120.776 120.500 0.003 0.000 2.584 867 R HA 0.751 5.090 4.340 -0.000 0.000 0.276 867 R C -0.774 175.529 176.300 0.005 0.000 1.046 867 R CA -0.721 55.382 56.100 0.004 0.000 0.906 867 R CB -0.187 30.117 30.300 0.007 0.000 1.215 867 R HN 0.916 nan 8.270 nan 0.000 0.449 868 Y N -0.921 119.382 120.300 0.004 0.000 2.392 868 Y HA 0.850 5.400 4.550 -0.000 0.000 0.323 868 Y C 1.374 177.278 175.900 0.007 0.000 1.291 868 Y CA -0.271 57.832 58.100 0.005 0.000 1.345 868 Y CB 1.518 39.979 38.460 0.003 0.000 1.320 868 Y HN 2.175 nan 8.280 nan 0.000 0.518 869 L N -0.209 121.018 121.223 0.007 0.000 4.102 869 L HA 0.533 4.873 4.340 -0.000 0.000 0.434 869 L C 0.832 177.706 176.870 0.007 0.000 1.149 869 L CA 0.623 55.467 54.840 0.008 0.000 1.466 869 L CB -0.453 41.613 42.059 0.012 0.000 1.412 869 L HN 2.800 nan 8.230 nan 0.000 0.562 870 G N -2.053 106.750 108.800 0.006 0.000 2.141 870 G HA2 0.609 4.569 3.960 -0.000 0.000 0.164 870 G HA3 0.609 4.569 3.960 -0.000 0.000 0.164 870 G C 0.226 175.129 174.900 0.005 0.000 1.009 870 G CA 1.191 46.294 45.100 0.005 0.000 0.677 870 G HN 3.059 nan 8.290 nan 0.000 0.508 871 R N -1.282 119.222 120.500 0.006 0.000 3.139 871 R HA 0.733 5.072 4.340 -0.000 0.000 0.287 871 R C -0.727 175.576 176.300 0.006 0.000 0.978 871 R CA -0.014 56.089 56.100 0.006 0.000 0.837 871 R CB 0.304 30.608 30.300 0.007 0.000 1.330 871 R HN 0.728 nan 8.270 nan 0.000 0.527 872 R N 1.318 121.821 120.500 0.005 0.000 2.204 872 R HA 0.523 4.863 4.340 -0.000 0.000 0.341 872 R C -0.374 175.929 176.300 0.005 0.000 1.035 872 R CA -0.495 55.607 56.100 0.004 0.000 0.887 872 R CB 0.592 30.894 30.300 0.003 0.000 1.114 872 R HN 0.508 nan 8.270 nan 0.000 0.473 873 L N 1.879 123.106 121.223 0.007 0.000 2.343 873 L HA 0.271 4.611 4.340 -0.000 0.000 0.275 873 L C 1.532 178.406 176.870 0.006 0.000 1.056 873 L CA -0.077 54.768 54.840 0.008 0.000 0.804 873 L CB 1.518 43.584 42.059 0.012 0.000 1.203 873 L HN 0.729 nan 8.230 nan 0.000 0.440 874 E N 1.116 121.319 120.200 0.005 0.000 2.479 874 E HA 0.070 4.420 4.350 -0.000 0.000 0.193 874 E C 0.946 177.549 176.600 0.004 0.000 1.049 874 E CA 0.409 56.811 56.400 0.003 0.000 0.870 874 E CB -0.457 29.244 29.700 0.002 0.000 0.944 874 E HN 0.810 nan 8.360 nan 0.000 0.492 875 T N -2.254 112.304 114.554 0.007 0.000 2.533 875 T HA 0.146 4.496 4.350 -0.000 0.000 0.366 875 T C 0.653 175.359 174.700 0.010 0.000 1.055 875 T CA 0.409 62.514 62.100 0.009 0.000 1.043 875 T CB 0.572 69.450 68.868 0.018 0.000 1.044 875 T HN 0.160 nan 8.240 nan 0.000 0.535 876 S N 1.632 117.340 115.700 0.014 0.000 2.503 876 S HA 0.473 4.943 4.470 -0.000 0.000 0.301 876 S C -1.456 173.160 174.600 0.027 0.000 1.087 876 S CA -1.864 56.346 58.200 0.016 0.000 1.042 876 S CB 1.718 64.927 63.200 0.014 0.000 1.043 876 S HN 0.675 nan 8.310 nan 0.000 0.489 877 P HA -0.209 nan 4.420 nan 0.000 0.222 877 P C 1.386 178.716 177.300 0.051 0.000 1.154 877 P CA 1.942 65.059 63.100 0.029 0.000 0.874 877 P CB -0.217 31.493 31.700 0.018 0.000 0.787 878 G N 0.796 109.630 108.800 0.056 0.000 2.453 878 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 878 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 878 G C 1.714 176.682 174.900 0.112 0.000 1.201 878 G CA 1.008 46.160 45.100 0.085 0.000 0.784 878 G HN 0.262 nan 8.290 nan 0.000 0.545 879 R N 0.058 120.604 120.500 0.077 0.000 2.119 879 R HA -0.117 4.223 4.340 -0.000 0.000 0.246 879 R C 2.387 178.766 176.300 0.130 0.000 1.146 879 R CA 1.291 57.444 56.100 0.088 0.000 0.962 879 R CB -0.690 29.635 30.300 0.041 0.000 0.863 879 R HN 0.298 nan 8.270 nan 0.000 0.442 880 I N 1.322 121.947 120.570 0.092 0.000 2.113 880 I HA -0.236 3.933 4.170 -0.000 0.000 0.238 880 I C 2.546 178.722 176.117 0.099 0.000 1.070 880 I CA 0.920 62.267 61.300 0.078 0.000 1.332 880 I CB -1.254 36.776 38.000 0.050 0.000 1.044 880 I HN 0.140 nan 8.210 nan 0.000 0.402 881 L N 1.118 122.408 121.223 0.112 0.000 1.963 881 L HA -0.303 4.037 4.340 -0.000 0.000 0.220 881 L C 2.533 179.501 176.870 0.163 0.000 1.076 881 L CA 2.115 57.036 54.840 0.134 0.000 0.772 881 L CB -1.412 40.734 42.059 0.144 0.000 0.892 881 L HN 0.195 nan 8.230 nan 0.000 0.435 882 F N 0.285 120.281 119.950 0.077 0.000 2.161 882 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 882 F C 2.288 178.106 175.800 0.029 0.000 1.089 882 F CA 1.763 59.801 58.000 0.062 0.000 1.282 882 F CB -0.596 38.437 39.000 0.055 0.000 1.010 882 F HN 0.248 nan 8.300 nan 0.000 0.485 883 A N 0.489 123.417 122.820 0.179 0.000 1.948 883 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 883 A C 2.382 179.942 177.584 -0.039 0.000 1.177 883 A CA 2.023 54.109 52.037 0.083 0.000 0.636 883 A CB -0.838 18.217 19.000 0.093 0.000 0.815 883 A HN 0.538 nan 8.150 nan 0.000 0.449 884 R N -0.365 120.112 120.500 -0.039 0.000 2.112 884 R HA 0.071 4.411 4.340 -0.000 0.000 0.216 884 R C 1.915 178.124 176.300 -0.152 0.000 1.080 884 R CA 1.030 57.092 56.100 -0.062 0.000 0.996 884 R CB -0.364 29.931 30.300 -0.008 0.000 0.902 884 R HN 0.500 nan 8.270 nan 0.000 0.449 885 I N 0.652 121.092 120.570 -0.217 0.000 2.113 885 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 885 I C 2.310 178.153 176.117 -0.457 0.000 1.064 885 I CA 1.350 62.393 61.300 -0.429 0.000 1.320 885 I CB -0.365 37.331 38.000 -0.506 0.000 1.028 885 I HN 0.066 nan 8.210 nan 0.000 0.406 886 V N 0.907 120.512 119.914 -0.515 0.000 2.970 886 V HA -0.095 4.024 4.120 -0.000 0.000 0.260 886 V C 2.194 178.158 176.094 -0.216 0.000 1.100 886 V CA 1.794 63.860 62.300 -0.390 0.000 1.122 886 V CB -0.469 31.105 31.823 -0.415 0.000 0.721 886 V HN 0.548 nan 8.190 nan 0.000 0.483 887 G N -0.424 108.266 108.800 -0.183 0.000 2.547 887 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.214 887 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.214 887 G C 1.210 176.050 174.900 -0.098 0.000 1.254 887 G CA 0.535 45.571 45.100 -0.107 0.000 0.817 887 G HN 0.544 nan 8.290 nan 0.000 0.551 888 E N 0.884 121.022 120.200 -0.103 0.000 2.510 888 E HA 0.097 4.447 4.350 -0.000 0.000 0.202 888 E C 2.433 178.974 176.600 -0.099 0.000 1.072 888 E CA 0.275 56.625 56.400 -0.083 0.000 0.883 888 E CB 0.003 29.662 29.700 -0.069 0.000 0.818 888 E HN 0.409 nan 8.360 nan 0.000 0.548 889 A N 0.494 123.234 122.820 -0.133 0.000 1.878 889 A HA 0.044 4.364 4.320 -0.000 0.000 0.213 889 A C 1.540 179.073 177.584 -0.085 0.000 1.192 889 A CA 0.516 52.477 52.037 -0.127 0.000 0.619 889 A CB 0.184 19.082 19.000 -0.169 0.000 0.837 889 A HN 0.055 nan 8.150 nan 0.000 0.446 890 V N -1.678 118.188 119.914 -0.079 0.000 3.842 890 V HA 0.504 4.624 4.120 -0.000 0.000 0.281 890 V C 1.430 177.496 176.094 -0.047 0.000 1.228 890 V CA -0.094 62.172 62.300 -0.056 0.000 0.897 890 V CB 0.440 32.234 31.823 -0.049 0.000 1.257 890 V HN 0.355 nan 8.190 nan 0.000 0.451 891 G N 1.330 110.107 108.800 -0.037 0.000 3.197 891 G HA2 0.388 4.348 3.960 -0.000 0.000 0.257 891 G HA3 0.388 4.348 3.960 -0.000 0.000 0.257 891 G C -0.052 174.832 174.900 -0.027 0.000 0.835 891 G CA 0.539 45.621 45.100 -0.029 0.000 2.001 891 G HN 1.112 nan 8.290 nan 0.000 0.625 892 D N -0.954 119.425 120.400 -0.034 0.000 9.405 892 D HA -0.258 4.382 4.640 -0.000 0.000 0.351 892 D C 0.148 176.431 176.300 -0.027 0.000 2.893 892 D CA 1.015 54.996 54.000 -0.032 0.000 2.102 892 D CB -0.425 40.362 40.800 -0.023 0.000 1.141 892 D HN 0.479 nan 8.370 nan 0.000 1.146 893 E N 0.660 120.846 120.200 -0.023 0.000 2.504 893 E HA -0.012 4.337 4.350 -0.000 0.000 0.266 893 E C 1.009 177.606 176.600 -0.005 0.000 1.239 893 E CA 0.643 57.035 56.400 -0.013 0.000 1.064 893 E CB 0.223 29.919 29.700 -0.006 0.000 0.996 893 E HN 0.598 nan 8.360 nan 0.000 0.479 894 K N -1.627 118.775 120.400 0.002 0.000 9.219 894 K HA -0.283 4.037 4.320 -0.000 0.000 0.503 894 K C 1.374 177.978 176.600 0.006 0.000 0.368 894 K CA 1.363 57.653 56.287 0.005 0.000 1.959 894 K CB -1.526 30.975 32.500 0.002 0.000 0.691 894 K HN 0.305 nan 8.250 nan 0.000 1.032 895 V N 0.674 120.589 119.914 0.001 0.000 2.490 895 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 895 V C 2.014 178.111 176.094 0.006 0.000 1.061 895 V CA 2.379 64.680 62.300 0.001 0.000 1.064 895 V CB -0.565 31.254 31.823 -0.007 0.000 0.670 895 V HN 0.599 nan 8.190 nan 0.000 0.461 896 A N -1.111 121.710 122.820 0.002 0.000 2.348 896 A HA 0.143 4.463 4.320 -0.000 0.000 0.224 896 A C 1.886 179.485 177.584 0.024 0.000 1.227 896 A CA 0.258 52.299 52.037 0.007 0.000 0.885 896 A CB -0.029 18.960 19.000 -0.018 0.000 0.933 896 A HN 0.429 nan 8.150 nan 0.000 0.506 897 Q N 0.198 120.012 119.800 0.024 0.000 2.424 897 Q HA 0.084 4.424 4.340 -0.000 0.000 0.204 897 Q C 1.416 177.440 176.000 0.039 0.000 0.933 897 Q CA 1.114 56.937 55.803 0.034 0.000 0.929 897 Q CB -0.095 28.658 28.738 0.025 0.000 1.037 897 Q HN 0.727 nan 8.270 nan 0.000 0.511 898 E N -0.884 119.338 120.200 0.036 0.000 2.112 898 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 898 E C -0.411 176.221 176.600 0.054 0.000 0.979 898 E CA 0.424 56.847 56.400 0.039 0.000 0.814 898 E CB 0.372 30.092 29.700 0.033 0.000 0.762 898 E HN 0.167 nan 8.360 nan 0.000 0.460 899 L N 1.573 122.834 121.223 0.063 0.000 2.356 899 L HA 0.563 4.903 4.340 -0.000 0.000 0.264 899 L C -0.419 176.514 176.870 0.104 0.000 1.029 899 L CA -0.007 54.884 54.840 0.085 0.000 0.897 899 L CB -0.271 41.843 42.059 0.091 0.000 1.256 899 L HN 0.023 nan 8.230 nan 0.000 0.444 900 I N 1.092 121.727 120.570 0.108 0.000 2.614 900 I HA 0.034 4.204 4.170 -0.000 0.000 0.300 900 I C -0.216 175.959 176.117 0.097 0.000 1.825 900 I CA -0.293 61.093 61.300 0.143 0.000 0.951 900 I CB 2.706 40.809 38.000 0.173 0.000 1.487 900 I HN 0.342 nan 8.210 nan 0.000 0.581 901 Q N 4.287 124.135 119.800 0.080 0.000 2.286 901 Q HA 0.143 4.483 4.340 -0.000 0.000 0.281 901 Q C 1.036 177.049 176.000 0.022 0.000 0.897 901 Q CA -0.493 55.329 55.803 0.032 0.000 1.023 901 Q CB 0.429 29.166 28.738 -0.002 0.000 1.151 901 Q HN 0.677 nan 8.270 nan 0.000 0.445 902 M N 2.009 121.644 119.600 0.058 0.000 2.747 902 M HA -0.309 4.171 4.480 -0.000 0.000 0.265 902 M C -0.267 176.048 176.300 0.025 0.000 0.853 902 M CA 2.326 57.662 55.300 0.059 0.000 0.955 902 M CB -0.681 31.950 32.600 0.052 0.000 1.508 902 M HN 0.375 nan 8.290 nan 0.000 0.464 903 D N 0.534 120.938 120.400 0.007 0.000 2.325 903 D HA 0.362 5.002 4.640 -0.000 0.000 0.251 903 D C -0.065 176.214 176.300 -0.036 0.000 1.196 903 D CA -0.005 53.990 54.000 -0.010 0.000 0.866 903 D CB -0.018 40.778 40.800 -0.006 0.000 1.101 903 D HN 0.346 nan 8.370 nan 0.000 0.476 904 V N 2.990 122.872 119.914 -0.054 0.000 5.605 904 V HA -0.161 3.959 4.120 -0.000 0.000 0.135 904 V C -1.135 174.890 176.094 -0.116 0.000 0.768 904 V CA 0.400 62.640 62.300 -0.099 0.000 0.541 904 V CB -1.315 30.453 31.823 -0.092 0.000 0.237 904 V HN 0.747 nan 8.190 nan 0.000 0.328 905 P HA 0.097 nan 4.420 nan 0.000 0.223 905 P C 0.757 177.961 177.300 -0.160 0.000 1.148 905 P CA 0.811 63.848 63.100 -0.106 0.000 0.870 905 P CB 0.589 32.242 31.700 -0.079 0.000 0.859 906 Q N -2.684 116.961 119.800 -0.257 0.000 2.774 906 Q HA -0.109 4.231 4.340 -0.000 0.000 0.158 906 Q C -0.417 175.482 176.000 -0.168 0.000 0.572 906 Q CA 1.174 56.734 55.803 -0.405 0.000 1.234 906 Q CB -2.210 26.108 28.738 -0.700 0.000 0.906 906 Q HN 0.253 nan 8.270 nan 0.000 1.125 907 E N -1.097 119.036 120.200 -0.112 0.000 8.367 907 E HA -0.108 4.241 4.350 -0.000 0.000 0.467 907 E C 0.558 177.216 176.600 0.096 0.000 0.968 907 E CA 1.525 57.892 56.400 -0.054 0.000 1.684 907 E CB -0.342 29.238 29.700 -0.200 0.000 0.997 907 E HN 0.327 nan 8.360 nan 0.000 0.275 908 K N 0.926 121.369 120.400 0.071 0.000 1.531 908 K HA -0.041 4.279 4.320 -0.000 0.000 0.116 908 K C 0.127 176.759 176.600 0.053 0.000 2.527 908 K CA 0.505 56.834 56.287 0.071 0.000 1.110 908 K CB -0.826 31.722 32.500 0.080 0.000 2.807 908 K HN 0.356 nan 8.250 nan 0.000 0.340 909 N N 1.118 119.848 118.700 0.051 0.000 2.227 909 N HA 0.076 4.816 4.740 -0.000 0.000 0.196 909 N C 1.263 176.805 175.510 0.054 0.000 1.142 909 N CA 1.152 54.229 53.050 0.045 0.000 0.887 909 N CB 0.695 39.202 38.487 0.034 0.000 1.022 909 N HN 0.440 nan 8.380 nan 0.000 0.500 910 S N 0.125 115.858 115.700 0.055 0.000 2.387 910 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 910 S C 1.982 176.642 174.600 0.099 0.000 1.041 910 S CA 0.172 58.412 58.200 0.066 0.000 0.959 910 S CB -0.303 62.924 63.200 0.044 0.000 0.843 910 S HN -0.025 nan 8.310 nan 0.000 0.488 911 L N 2.705 123.989 121.223 0.102 0.000 2.011 911 L HA -0.210 4.130 4.340 -0.000 0.000 0.225 911 L C 2.655 179.614 176.870 0.147 0.000 1.084 911 L CA 2.288 57.218 54.840 0.149 0.000 0.791 911 L CB -1.400 40.742 42.059 0.138 0.000 0.898 911 L HN 0.512 nan 8.230 nan 0.000 0.440 912 K N -0.407 120.066 120.400 0.122 0.000 2.000 912 K HA -0.299 4.021 4.320 -0.000 0.000 0.218 912 K C 1.949 178.649 176.600 0.166 0.000 1.053 912 K CA 2.470 58.834 56.287 0.129 0.000 0.946 912 K CB -0.478 32.081 32.500 0.098 0.000 0.723 912 K HN 0.356 nan 8.250 nan 0.000 0.446 913 D N 0.188 120.674 120.400 0.144 0.000 2.149 913 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 913 D C 2.020 178.451 176.300 0.217 0.000 0.990 913 D CA 1.061 55.162 54.000 0.168 0.000 0.839 913 D CB -0.016 40.841 40.800 0.096 0.000 0.948 913 D HN 0.297 nan 8.370 nan 0.000 0.460 914 L N -0.017 121.315 121.223 0.182 0.000 1.971 914 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 914 L C 2.215 179.204 176.870 0.198 0.000 1.072 914 L CA 1.360 56.310 54.840 0.185 0.000 0.758 914 L CB -0.496 41.680 42.059 0.194 0.000 0.889 914 L HN 0.054 nan 8.230 nan 0.000 0.433 915 V N -0.617 119.413 119.914 0.192 0.000 2.370 915 V HA -0.373 3.747 4.120 -0.000 0.000 0.252 915 V C 2.084 178.311 176.094 0.222 0.000 1.068 915 V CA 2.380 64.791 62.300 0.186 0.000 1.061 915 V CB -1.013 30.913 31.823 0.171 0.000 0.656 915 V HN 0.595 nan 8.190 nan 0.000 0.455 916 Y N 1.017 121.398 120.300 0.135 0.000 2.109 916 Y HA -0.186 4.364 4.550 -0.000 0.000 0.281 916 Y C 2.469 178.472 175.900 0.171 0.000 1.113 916 Y CA 1.609 59.791 58.100 0.136 0.000 1.098 916 Y CB -0.209 38.309 38.460 0.096 0.000 0.996 916 Y HN 0.118 nan 8.280 nan 0.000 0.485 917 Q N 0.596 120.783 119.800 0.645 0.000 2.576 917 Q HA -0.002 4.338 4.340 -0.000 0.000 0.219 917 Q C 0.990 177.125 176.000 0.225 0.000 0.976 917 Q CA 0.738 56.814 55.803 0.455 0.000 0.977 917 Q CB -0.110 28.816 28.738 0.313 0.000 0.988 917 Q HN 0.568 nan 8.270 nan 0.000 0.555 918 A N -1.295 121.632 122.820 0.180 0.000 1.988 918 A HA 0.078 4.398 4.320 -0.000 0.000 0.198 918 A C 1.410 179.042 177.584 0.080 0.000 1.507 918 A CA -0.259 51.844 52.037 0.110 0.000 0.901 918 A CB -0.499 18.563 19.000 0.104 0.000 1.007 918 A HN 0.459 nan 8.150 nan 0.000 0.502 919 F N 1.073 120.976 119.950 -0.078 0.000 2.225 919 F HA -0.223 4.303 4.527 -0.000 0.000 0.302 919 F C 1.711 177.432 175.800 -0.131 0.000 1.068 919 F CA 1.497 59.419 58.000 -0.130 0.000 1.327 919 F CB 0.179 39.034 39.000 -0.242 0.000 1.043 919 F HN 0.106 nan 8.300 nan 0.000 0.506 920 L N -0.237 121.049 121.223 0.105 0.000 2.084 920 L HA -0.049 4.291 4.340 -0.000 0.000 0.202 920 L C 2.360 179.242 176.870 0.020 0.000 1.074 920 L CA 1.322 56.209 54.840 0.077 0.000 0.757 920 L CB -1.192 40.939 42.059 0.120 0.000 0.918 920 L HN 0.105 nan 8.230 nan 0.000 0.444 921 R N -0.287 120.232 120.500 0.032 0.000 2.276 921 R HA 0.142 4.481 4.340 -0.000 0.000 0.203 921 R C -0.123 176.163 176.300 -0.024 0.000 1.017 921 R CA 0.431 56.538 56.100 0.012 0.000 1.010 921 R CB 0.114 30.433 30.300 0.032 0.000 0.900 921 R HN 0.255 nan 8.270 nan 0.000 0.469 922 L N -0.730 120.460 121.223 -0.056 0.000 2.455 922 L HA 0.402 4.742 4.340 -0.000 0.000 0.264 922 L C 0.380 177.144 176.870 -0.177 0.000 0.968 922 L CA -1.052 53.735 54.840 -0.088 0.000 0.827 922 L CB 1.990 44.013 42.059 -0.060 0.000 1.317 922 L HN -0.054 nan 8.230 nan 0.000 0.407 923 G N 1.163 109.853 108.800 -0.183 0.000 2.732 923 G HA2 0.150 4.110 3.960 -0.000 0.000 0.244 923 G HA3 0.150 4.110 3.960 -0.000 0.000 0.244 923 G C 0.872 175.576 174.900 -0.326 0.000 1.226 923 G CA -0.329 44.610 45.100 -0.269 0.000 0.860 923 G HN 0.735 nan 8.290 nan 0.000 0.583 924 M N 0.197 119.551 119.600 -0.410 0.000 2.110 924 M HA -0.185 4.295 4.480 -0.000 0.000 0.257 924 M C 2.713 178.940 176.300 -0.122 0.000 1.071 924 M CA 2.344 57.463 55.300 -0.301 0.000 1.096 924 M CB -0.591 31.931 32.600 -0.131 0.000 1.300 924 M HN 0.808 nan 8.290 nan 0.000 0.411 925 E N 1.115 121.268 120.200 -0.079 0.000 2.095 925 E HA -0.295 4.055 4.350 -0.000 0.000 0.212 925 E C 1.691 178.251 176.600 -0.066 0.000 1.044 925 E CA 1.891 58.260 56.400 -0.051 0.000 0.857 925 E CB -0.969 28.706 29.700 -0.042 0.000 0.764 925 E HN 0.605 nan 8.360 nan 0.000 0.462 926 K N 0.125 120.478 120.400 -0.078 0.000 2.283 926 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 926 K C 2.086 178.655 176.600 -0.052 0.000 1.048 926 K CA 1.254 57.502 56.287 -0.065 0.000 0.948 926 K CB -0.118 32.342 32.500 -0.066 0.000 0.742 926 K HN 0.139 nan 8.250 nan 0.000 0.458 927 T N 0.647 115.168 114.554 -0.055 0.000 3.055 927 T HA 0.031 4.381 4.350 -0.000 0.000 0.265 927 T C 1.711 176.425 174.700 0.022 0.000 1.111 927 T CA 0.781 62.882 62.100 0.001 0.000 1.118 927 T CB 0.100 68.993 68.868 0.042 0.000 0.909 927 T HN 0.278 nan 8.240 nan 0.000 0.501 928 A N 1.649 124.464 122.820 -0.009 0.000 1.935 928 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 928 A C 2.359 179.926 177.584 -0.028 0.000 1.178 928 A CA 0.487 52.515 52.037 -0.016 0.000 0.640 928 A CB -0.147 18.806 19.000 -0.078 0.000 0.825 928 A HN 0.187 nan 8.150 nan 0.000 0.447 929 R N -0.369 120.105 120.500 -0.043 0.000 2.103 929 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 929 R C 2.102 178.381 176.300 -0.036 0.000 1.132 929 R CA 1.694 57.767 56.100 -0.044 0.000 0.925 929 R CB -1.557 28.713 30.300 -0.049 0.000 0.842 929 R HN 0.543 nan 8.270 nan 0.000 0.430 930 L N 1.195 122.395 121.223 -0.038 0.000 2.079 930 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 930 L C 2.104 178.974 176.870 -0.000 0.000 1.081 930 L CA 1.609 56.423 54.840 -0.044 0.000 0.752 930 L CB -0.668 41.371 42.059 -0.033 0.000 0.896 930 L HN 0.095 nan 8.230 nan 0.000 0.433 931 L N -0.438 120.809 121.223 0.040 0.000 2.187 931 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 931 L C 2.201 179.139 176.870 0.114 0.000 1.100 931 L CA 1.749 56.644 54.840 0.093 0.000 0.765 931 L CB -1.354 40.775 42.059 0.117 0.000 0.904 931 L HN 0.487 nan 8.230 nan 0.000 0.437 932 D N -1.096 119.347 120.400 0.071 0.000 2.202 932 D HA -0.001 4.639 4.640 -0.000 0.000 0.214 932 D C 2.095 178.450 176.300 0.092 0.000 0.967 932 D CA 1.058 55.115 54.000 0.095 0.000 0.871 932 D CB 0.470 41.294 40.800 0.040 0.000 1.020 932 D HN 0.197 nan 8.370 nan 0.000 0.474 933 A N 1.957 124.771 122.820 -0.011 0.000 1.894 933 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 933 A C 2.372 179.865 177.584 -0.153 0.000 1.237 933 A CA 1.564 53.507 52.037 -0.158 0.000 0.660 933 A CB -1.183 17.664 19.000 -0.254 0.000 0.835 933 A HN 0.225 nan 8.150 nan 0.000 0.461 934 L N -0.923 120.262 121.223 -0.062 0.000 1.944 934 L HA -0.296 4.044 4.340 -0.000 0.000 0.218 934 L C 2.579 179.568 176.870 0.198 0.000 1.075 934 L CA 2.294 57.161 54.840 0.045 0.000 0.767 934 L CB -0.712 41.403 42.059 0.093 0.000 0.890 934 L HN 0.602 nan 8.230 nan 0.000 0.434 935 K N -0.377 120.174 120.400 0.250 0.000 1.987 935 K HA -0.373 3.947 4.320 -0.000 0.000 0.232 935 K C 2.134 179.100 176.600 0.610 0.000 1.034 935 K CA 2.670 59.210 56.287 0.421 0.000 1.013 935 K CB -0.916 31.873 32.500 0.481 0.000 0.736 935 K HN 0.298 nan 8.250 nan 0.000 0.446 936 Y N -0.246 120.278 120.300 0.372 0.000 1.967 936 Y HA -0.446 4.104 4.550 -0.000 0.000 0.255 936 Y C 2.377 178.558 175.900 0.467 0.000 1.197 936 Y CA 2.069 60.392 58.100 0.372 0.000 1.088 936 Y CB -0.466 38.186 38.460 0.319 0.000 0.917 936 Y HN 0.328 nan 8.280 nan 0.000 0.497 937 Y N 0.106 120.536 120.300 0.217 0.000 2.030 937 Y HA -0.226 4.324 4.550 -0.000 0.000 0.274 937 Y C 2.810 178.818 175.900 0.179 0.000 1.153 937 Y CA 1.118 59.262 58.100 0.073 0.000 1.115 937 Y CB -1.468 36.985 38.460 -0.011 0.000 0.969 937 Y HN 0.294 nan 8.280 nan 0.000 0.488 938 G N -0.860 108.151 108.800 0.351 0.000 2.556 938 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 938 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 938 G C 1.757 176.745 174.900 0.146 0.000 1.156 938 G CA 1.258 46.472 45.100 0.189 0.000 0.766 938 G HN 0.373 nan 8.290 nan 0.000 0.583 939 F N 0.372 120.441 119.950 0.199 0.000 2.046 939 F HA -0.081 4.445 4.527 -0.000 0.000 0.297 939 F C 3.232 179.107 175.800 0.126 0.000 1.123 939 F CA 1.803 59.893 58.000 0.150 0.000 1.199 939 F CB -0.461 38.635 39.000 0.160 0.000 0.972 939 F HN 0.177 nan 8.300 nan 0.000 0.474 940 T N -0.265 114.533 114.554 0.406 0.000 2.995 940 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 940 T C 1.938 176.712 174.700 0.123 0.000 1.091 940 T CA 0.652 62.898 62.100 0.243 0.000 1.128 940 T CB -0.214 68.835 68.868 0.302 0.000 0.891 940 T HN -0.046 nan 8.240 nan 0.000 0.492 941 L N 1.903 123.196 121.223 0.116 0.000 2.044 941 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 941 L C 2.945 179.850 176.870 0.059 0.000 1.075 941 L CA 2.252 57.136 54.840 0.072 0.000 0.747 941 L CB -1.513 40.612 42.059 0.111 0.000 0.903 941 L HN 0.505 nan 8.230 nan 0.000 0.435 942 S N -2.418 113.317 115.700 0.059 0.000 2.469 942 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 942 S C 1.784 176.366 174.600 -0.031 0.000 0.998 942 S CA 1.451 59.642 58.200 -0.014 0.000 0.957 942 S CB -0.559 62.632 63.200 -0.015 0.000 0.764 942 S HN 0.418 nan 8.310 nan 0.000 0.514 943 T N 2.751 117.319 114.554 0.022 0.000 2.684 943 T HA -0.062 4.288 4.350 -0.000 0.000 0.253 943 T C 2.387 177.083 174.700 -0.007 0.000 1.057 943 T CA 2.004 64.111 62.100 0.013 0.000 1.162 943 T CB -1.200 67.695 68.868 0.045 0.000 0.868 943 T HN 0.811 nan 8.240 nan 0.000 0.409 944 T N 1.626 116.184 114.554 0.006 0.000 2.649 944 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 944 T C 2.147 176.841 174.700 -0.010 0.000 1.036 944 T CA 2.050 64.151 62.100 0.001 0.000 1.157 944 T CB -1.055 67.817 68.868 0.006 0.000 0.861 944 T HN 0.248 nan 8.240 nan 0.000 0.445 945 S N 1.155 116.843 115.700 -0.019 0.000 2.420 945 S HA 0.216 4.686 4.470 -0.000 0.000 0.237 945 S C 1.418 175.966 174.600 -0.087 0.000 1.023 945 S CA 0.759 58.934 58.200 -0.041 0.000 0.991 945 S CB -1.315 61.827 63.200 -0.098 0.000 0.792 945 S HN 1.370 nan 8.310 nan 0.000 0.488 946 G N 2.122 110.869 108.800 -0.088 0.000 2.330 946 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 946 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 946 G C -0.348 174.483 174.900 -0.114 0.000 0.818 946 G CA 0.448 45.500 45.100 -0.080 0.000 1.189 946 G HN 0.785 nan 8.290 nan 0.000 0.337 947 I N 0.524 121.005 120.570 -0.147 0.000 2.465 947 I HA 0.964 5.134 4.170 -0.000 0.000 0.291 947 I C 0.239 176.301 176.117 -0.091 0.000 1.014 947 I CA -0.128 61.082 61.300 -0.151 0.000 1.093 947 I CB 2.510 40.344 38.000 -0.276 0.000 1.267 947 I HN 0.564 nan 8.210 nan 0.000 0.431 948 T N 2.811 117.327 114.554 -0.062 0.000 2.565 948 T HA 0.644 4.994 4.350 -0.000 0.000 0.266 948 T C -0.402 174.272 174.700 -0.044 0.000 0.905 948 T CA -0.769 61.302 62.100 -0.048 0.000 1.122 948 T CB 1.239 70.083 68.868 -0.039 0.000 1.437 948 T HN 0.556 nan 8.240 nan 0.000 0.506 949 I N 1.282 121.828 120.570 -0.040 0.000 2.641 949 I HA 0.482 4.652 4.170 -0.000 0.000 0.275 949 I C 0.552 176.645 176.117 -0.040 0.000 1.129 949 I CA -0.740 60.535 61.300 -0.042 0.000 1.094 949 I CB 1.049 39.026 38.000 -0.039 0.000 1.232 949 I HN 0.949 nan 8.210 nan 0.000 0.503 950 G N 3.857 112.632 108.800 -0.042 0.000 2.504 950 G HA2 0.358 4.318 3.960 -0.000 0.000 0.288 950 G HA3 0.358 4.318 3.960 -0.000 0.000 0.288 950 G C 1.151 176.026 174.900 -0.041 0.000 1.182 950 G CA -0.484 44.593 45.100 -0.038 0.000 0.894 950 G HN 0.364 nan 8.290 nan 0.000 0.521 951 I N 0.499 121.048 120.570 -0.035 0.000 2.091 951 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 951 I C 2.230 178.325 176.117 -0.036 0.000 1.046 951 I CA 1.972 63.254 61.300 -0.031 0.000 1.306 951 I CB -0.480 37.506 38.000 -0.023 0.000 1.018 951 I HN 0.438 nan 8.210 nan 0.000 0.404 952 D N 0.254 120.628 120.400 -0.043 0.000 2.265 952 D HA -0.193 4.447 4.640 -0.000 0.000 0.208 952 D C 1.392 177.630 176.300 -0.104 0.000 0.977 952 D CA 0.927 54.889 54.000 -0.064 0.000 0.871 952 D CB -0.638 40.122 40.800 -0.066 0.000 0.925 952 D HN 0.352 nan 8.370 nan 0.000 0.485 953 D N -0.385 119.960 120.400 -0.092 0.000 2.403 953 D HA 0.218 4.857 4.640 -0.000 0.000 0.260 953 D C -0.663 175.577 176.300 -0.101 0.000 1.243 953 D CA 0.167 54.102 54.000 -0.108 0.000 0.918 953 D CB -0.069 40.686 40.800 -0.075 0.000 0.939 953 D HN 0.122 nan 8.370 nan 0.000 0.507 954 A N -0.059 122.711 122.820 -0.084 0.000 2.466 954 A HA 0.493 4.813 4.320 -0.000 0.000 0.284 954 A C -1.161 176.407 177.584 -0.025 0.000 1.049 954 A CA -0.739 51.269 52.037 -0.049 0.000 0.760 954 A CB 1.188 20.179 19.000 -0.015 0.000 1.274 954 A HN -0.002 nan 8.150 nan 0.000 0.412 955 V N 2.691 122.610 119.914 0.008 0.000 2.409 955 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 955 V C 0.060 176.211 176.094 0.094 0.000 1.020 955 V CA -0.486 61.845 62.300 0.053 0.000 0.848 955 V CB 1.219 33.099 31.823 0.095 0.000 0.990 955 V HN 0.750 nan 8.190 nan 0.000 0.430 956 I N 7.474 128.091 120.570 0.078 0.000 2.452 956 I HA 0.236 4.406 4.170 -0.000 0.000 0.287 956 I C -1.694 174.473 176.117 0.084 0.000 1.079 956 I CA -1.358 59.988 61.300 0.076 0.000 1.387 956 I CB 1.505 39.545 38.000 0.067 0.000 1.404 956 I HN 0.469 nan 8.210 nan 0.000 0.522 957 P HA 0.059 nan 4.420 nan 0.000 0.276 957 P C 0.186 177.525 177.300 0.065 0.000 1.243 957 P CA -0.137 63.003 63.100 0.066 0.000 0.768 957 P CB 1.316 33.033 31.700 0.028 0.000 0.856 958 E N 3.117 123.362 120.200 0.074 0.000 2.160 958 E HA -0.223 4.126 4.350 -0.000 0.000 0.195 958 E C 1.427 178.081 176.600 0.089 0.000 0.991 958 E CA 1.379 57.824 56.400 0.075 0.000 0.810 958 E CB -0.258 29.483 29.700 0.069 0.000 0.742 958 E HN 0.600 nan 8.360 nan 0.000 0.466 959 E N 0.198 120.458 120.200 0.099 0.000 2.495 959 E HA -0.187 4.162 4.350 -0.000 0.000 0.204 959 E C 1.505 178.240 176.600 0.225 0.000 1.163 959 E CA 0.391 56.894 56.400 0.171 0.000 0.922 959 E CB -0.032 29.785 29.700 0.196 0.000 0.918 959 E HN 0.181 nan 8.360 nan 0.000 0.537 960 K N 1.072 121.548 120.400 0.128 0.000 2.021 960 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 960 K C 2.000 178.721 176.600 0.201 0.000 1.047 960 K CA 0.909 57.261 56.287 0.109 0.000 0.943 960 K CB 0.083 32.623 32.500 0.067 0.000 0.725 960 K HN 0.123 nan 8.250 nan 0.000 0.439 961 Q N 0.709 120.598 119.800 0.149 0.000 1.914 961 Q HA -0.330 4.010 4.340 -0.000 0.000 0.222 961 Q C 2.193 178.279 176.000 0.144 0.000 1.031 961 Q CA 2.382 58.262 55.803 0.129 0.000 0.886 961 Q CB -0.559 28.234 28.738 0.092 0.000 0.982 961 Q HN 0.343 nan 8.270 nan 0.000 0.417 962 R N -0.061 120.514 120.500 0.124 0.000 2.227 962 R HA -0.314 4.026 4.340 -0.000 0.000 0.246 962 R C 2.166 178.484 176.300 0.031 0.000 1.119 962 R CA 2.574 58.702 56.100 0.046 0.000 0.930 962 R CB -0.786 29.514 30.300 -0.001 0.000 0.912 962 R HN 0.323 nan 8.270 nan 0.000 0.435 963 Y N 0.706 121.011 120.300 0.009 0.000 2.070 963 Y HA -0.116 4.433 4.550 -0.000 0.000 0.280 963 Y C 1.785 177.684 175.900 -0.001 0.000 1.148 963 Y CA 0.889 58.989 58.100 -0.000 0.000 1.125 963 Y CB -0.573 37.901 38.460 0.022 0.000 0.975 963 Y HN 0.089 nan 8.280 nan 0.000 0.492 964 L N 0.818 122.185 121.223 0.239 0.000 2.472 964 L HA -0.123 4.216 4.340 -0.000 0.000 0.273 964 L C 1.717 178.650 176.870 0.105 0.000 1.254 964 L CA 1.063 56.021 54.840 0.196 0.000 0.823 964 L CB 0.383 42.569 42.059 0.211 0.000 1.096 964 L HN 0.510 nan 8.230 nan 0.000 0.521 965 E N 0.214 120.473 120.200 0.098 0.000 4.876 965 E HA -0.348 4.002 4.350 -0.000 0.000 0.174 965 E C 1.414 178.000 176.600 -0.023 0.000 1.304 965 E CA 2.419 58.847 56.400 0.046 0.000 2.277 965 E CB -1.054 28.675 29.700 0.049 0.000 1.860 965 E HN 0.739 nan 8.360 nan 0.000 0.382 966 E N 0.010 120.186 120.200 -0.039 0.000 2.110 966 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 966 E C 2.020 178.527 176.600 -0.155 0.000 0.988 966 E CA 1.235 57.581 56.400 -0.090 0.000 0.804 966 E CB -0.344 29.289 29.700 -0.111 0.000 0.745 966 E HN 0.522 nan 8.360 nan 0.000 0.458 967 A N 1.523 124.222 122.820 -0.202 0.000 1.948 967 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 967 A C 1.678 179.006 177.584 -0.427 0.000 1.177 967 A CA 1.636 53.384 52.037 -0.483 0.000 0.636 967 A CB -0.264 18.250 19.000 -0.810 0.000 0.815 967 A HN 0.170 nan 8.150 nan 0.000 0.449 968 D N -0.960 119.325 120.400 -0.192 0.000 1.992 968 D HA -0.087 4.553 4.640 -0.000 0.000 0.280 968 D C 1.987 178.241 176.300 -0.078 0.000 1.060 968 D CA 1.079 55.031 54.000 -0.080 0.000 0.877 968 D CB -0.446 40.367 40.800 0.021 0.000 1.010 968 D HN 0.492 nan 8.370 nan 0.000 0.385 969 R N 1.093 121.567 120.500 -0.042 0.000 2.362 969 R HA -0.301 4.039 4.340 -0.000 0.000 0.211 969 R C 1.052 177.322 176.300 -0.051 0.000 1.022 969 R CA 2.350 58.427 56.100 -0.038 0.000 0.630 969 R CB -1.096 29.177 30.300 -0.044 0.000 0.874 969 R HN 0.127 nan 8.270 nan 0.000 0.324 970 K N 0.907 121.258 120.400 -0.082 0.000 2.790 970 K HA 0.171 4.491 4.320 -0.000 0.000 0.229 970 K C 1.134 177.673 176.600 -0.102 0.000 1.040 970 K CA 0.169 56.403 56.287 -0.088 0.000 1.211 970 K CB 0.132 32.568 32.500 -0.107 0.000 1.002 970 K HN 0.399 nan 8.250 nan 0.000 0.479 971 L N -0.775 120.402 121.223 -0.077 0.000 2.614 971 L HA 0.088 4.428 4.340 -0.000 0.000 0.185 971 L C 1.833 178.702 176.870 -0.002 0.000 1.098 971 L CA 0.204 55.009 54.840 -0.058 0.000 0.852 971 L CB 0.222 42.254 42.059 -0.046 0.000 1.213 971 L HN 0.095 nan 8.230 nan 0.000 0.491 972 R N -0.092 120.414 120.500 0.011 0.000 2.241 972 R HA -0.136 4.204 4.340 -0.000 0.000 0.224 972 R C 1.723 178.039 176.300 0.027 0.000 1.101 972 R CA 0.868 56.986 56.100 0.031 0.000 0.995 972 R CB -0.077 30.241 30.300 0.029 0.000 0.870 972 R HN 0.490 nan 8.270 nan 0.000 0.463 973 Q N -0.246 119.556 119.800 0.005 0.000 2.482 973 Q HA -0.003 4.337 4.340 -0.000 0.000 0.209 973 Q C 1.329 177.338 176.000 0.015 0.000 0.961 973 Q CA 0.385 56.189 55.803 0.002 0.000 0.945 973 Q CB 0.415 29.139 28.738 -0.024 0.000 1.012 973 Q HN 0.250 nan 8.270 nan 0.000 0.515 974 I N -0.256 120.328 120.570 0.022 0.000 3.812 974 I HA -0.038 4.132 4.170 -0.000 0.000 0.292 974 I C 1.191 177.359 176.117 0.085 0.000 1.206 974 I CA 0.862 62.184 61.300 0.036 0.000 1.370 974 I CB 0.303 38.300 38.000 -0.005 0.000 1.328 974 I HN 0.086 nan 8.210 nan 0.000 0.453 975 E N 0.274 120.525 120.200 0.085 0.000 2.511 975 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 975 E C 1.285 177.977 176.600 0.154 0.000 1.066 975 E CA 0.337 56.814 56.400 0.129 0.000 0.871 975 E CB 0.423 30.186 29.700 0.104 0.000 0.863 975 E HN 0.509 nan 8.360 nan 0.000 0.520 976 Q N -0.694 119.181 119.800 0.125 0.000 2.422 976 Q HA 0.172 4.511 4.340 -0.000 0.000 0.255 976 Q C 1.367 177.441 176.000 0.123 0.000 0.864 976 Q CA 0.237 56.103 55.803 0.105 0.000 0.968 976 Q CB 0.662 29.439 28.738 0.066 0.000 1.130 976 Q HN 0.124 nan 8.270 nan 0.000 0.556 977 A N 0.094 122.993 122.820 0.131 0.000 2.233 977 A HA -0.022 4.298 4.320 -0.000 0.000 0.230 977 A C 0.765 178.499 177.584 0.251 0.000 1.347 977 A CA 0.507 52.635 52.037 0.152 0.000 1.087 977 A CB -0.413 18.648 19.000 0.101 0.000 0.871 977 A HN 0.397 nan 8.150 nan 0.000 0.519 978 Y N -1.198 119.149 120.300 0.077 0.000 2.728 978 Y HA 0.178 4.728 4.550 -0.000 0.000 0.267 978 Y C 1.351 177.284 175.900 0.056 0.000 1.169 978 Y CA 0.511 58.653 58.100 0.069 0.000 1.168 978 Y CB 0.150 38.646 38.460 0.060 0.000 1.370 978 Y HN 0.372 nan 8.280 nan 0.000 0.482 979 E N 1.024 121.223 120.200 -0.002 0.000 2.515 979 E HA -0.033 4.317 4.350 -0.000 0.000 0.201 979 E C 0.361 176.920 176.600 -0.068 0.000 1.071 979 E CA 0.419 56.761 56.400 -0.096 0.000 0.880 979 E CB 0.097 29.796 29.700 -0.001 0.000 0.828 979 E HN 0.309 nan 8.360 nan 0.000 0.540 980 M N -1.315 118.279 119.600 -0.009 0.000 2.705 980 M HA 0.245 4.725 4.480 -0.000 0.000 0.272 980 M C 1.550 177.847 176.300 -0.006 0.000 1.172 980 M CA -0.155 55.172 55.300 0.046 0.000 0.901 980 M CB 0.453 33.152 32.600 0.165 0.000 1.516 980 M HN -0.041 nan 8.290 nan 0.000 0.530 981 G N -0.084 108.709 108.800 -0.012 0.000 2.744 981 G HA2 0.105 4.065 3.960 -0.000 0.000 0.211 981 G HA3 0.105 4.065 3.960 -0.000 0.000 0.211 981 G C 0.015 174.674 174.900 -0.402 0.000 1.143 981 G CA 0.196 45.160 45.100 -0.226 0.000 0.788 981 G HN 0.338 nan 8.290 nan 0.000 0.534 982 F N -0.709 119.257 119.950 0.027 0.000 2.440 982 F HA 0.632 5.159 4.527 -0.000 0.000 0.328 982 F C 0.742 176.607 175.800 0.107 0.000 1.070 982 F CA -1.040 56.992 58.000 0.053 0.000 1.011 982 F CB 1.029 40.053 39.000 0.040 0.000 1.226 982 F HN -0.194 nan 8.300 nan 0.000 0.491 983 L N 1.309 122.697 121.223 0.274 0.000 0.809 983 L HA -0.198 4.141 4.340 -0.000 0.000 0.364 983 L C -0.117 176.909 176.870 0.260 0.000 1.004 983 L CA 0.263 55.239 54.840 0.226 0.000 1.222 983 L CB -0.731 41.459 42.059 0.218 0.000 0.271 983 L HN 0.898 nan 8.230 nan 0.000 0.176 984 T N 1.381 116.043 114.554 0.180 0.000 2.875 984 T HA 0.140 4.490 4.350 -0.000 0.000 0.284 984 T C 0.999 175.764 174.700 0.107 0.000 0.995 984 T CA 0.053 62.268 62.100 0.193 0.000 1.060 984 T CB 1.423 70.356 68.868 0.109 0.000 0.967 984 T HN 0.785 nan 8.240 nan 0.000 0.476 985 D N 3.080 123.551 120.400 0.119 0.000 2.204 985 D HA -0.250 4.390 4.640 -0.000 0.000 0.189 985 D C 1.885 178.139 176.300 -0.077 0.000 1.006 985 D CA 1.867 55.751 54.000 -0.192 0.000 0.855 985 D CB -0.123 40.669 40.800 -0.013 0.000 0.946 985 D HN 0.745 nan 8.370 nan 0.000 0.448 986 R N 0.350 120.853 120.500 0.005 0.000 2.148 986 R HA -0.194 4.146 4.340 -0.000 0.000 0.230 986 R C 2.181 178.533 176.300 0.086 0.000 1.120 986 R CA 2.098 58.219 56.100 0.036 0.000 0.902 986 R CB -0.244 30.074 30.300 0.030 0.000 0.839 986 R HN 0.119 nan 8.270 nan 0.000 0.431 987 E N 0.258 120.495 120.200 0.062 0.000 2.333 987 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 987 E C 1.870 178.490 176.600 0.035 0.000 1.007 987 E CA 0.861 57.297 56.400 0.059 0.000 0.845 987 E CB -0.290 29.443 29.700 0.055 0.000 0.766 987 E HN 0.437 nan 8.360 nan 0.000 0.507 988 R N 0.185 120.684 120.500 -0.002 0.000 2.070 988 R HA -0.184 4.156 4.340 -0.000 0.000 0.227 988 R C 2.462 178.742 176.300 -0.033 0.000 1.147 988 R CA 1.399 57.457 56.100 -0.071 0.000 0.924 988 R CB -0.772 29.345 30.300 -0.306 0.000 0.827 988 R HN 0.205 nan 8.270 nan 0.000 0.431 989 Y N 1.975 122.199 120.300 -0.127 0.000 2.096 989 Y HA -0.293 4.256 4.550 -0.000 0.000 0.278 989 Y C 1.458 177.342 175.900 -0.027 0.000 1.192 989 Y CA 2.305 60.364 58.100 -0.068 0.000 1.143 989 Y CB -0.649 37.773 38.460 -0.064 0.000 0.963 989 Y HN 0.281 nan 8.280 nan 0.000 0.505 990 D N -0.131 120.272 120.400 0.004 0.000 2.417 990 D HA -0.146 4.493 4.640 -0.000 0.000 0.225 990 D C 1.734 177.941 176.300 -0.156 0.000 0.983 990 D CA 1.071 55.011 54.000 -0.099 0.000 0.949 990 D CB -0.116 40.732 40.800 0.079 0.000 0.879 990 D HN 0.517 nan 8.370 nan 0.000 0.520 991 Q N -0.858 118.846 119.800 -0.159 0.000 2.240 991 Q HA 0.055 4.395 4.340 -0.000 0.000 0.194 991 Q C 2.060 177.965 176.000 -0.158 0.000 0.982 991 Q CA 0.414 56.145 55.803 -0.120 0.000 0.842 991 Q CB -0.233 28.458 28.738 -0.078 0.000 0.941 991 Q HN 0.065 nan 8.270 nan 0.000 0.516 992 V N 1.549 121.367 119.914 -0.159 0.000 2.418 992 V HA -0.316 3.804 4.120 -0.000 0.000 0.258 992 V C 2.064 178.120 176.094 -0.063 0.000 1.088 992 V CA 1.550 63.797 62.300 -0.088 0.000 1.091 992 V CB -0.779 31.024 31.823 -0.034 0.000 0.669 992 V HN 0.366 nan 8.190 nan 0.000 0.461 993 I N -0.596 119.817 120.570 -0.262 0.000 2.270 993 I HA -0.168 4.002 4.170 -0.000 0.000 0.239 993 I C 2.555 178.625 176.117 -0.078 0.000 1.080 993 I CA 1.621 62.804 61.300 -0.195 0.000 1.383 993 I CB -1.241 36.524 38.000 -0.391 0.000 1.097 993 I HN 0.402 nan 8.210 nan 0.000 0.420 994 Q N 0.615 120.350 119.800 -0.108 0.000 2.112 994 Q HA -0.264 4.075 4.340 -0.000 0.000 0.206 994 Q C 2.218 178.186 176.000 -0.054 0.000 0.987 994 Q CA 1.918 57.684 55.803 -0.062 0.000 0.858 994 Q CB -0.123 28.577 28.738 -0.064 0.000 0.905 994 Q HN 0.342 nan 8.270 nan 0.000 0.420 995 L N 0.028 121.195 121.223 -0.094 0.000 1.908 995 L HA -0.183 4.156 4.340 -0.000 0.000 0.227 995 L C 1.795 178.600 176.870 -0.107 0.000 1.087 995 L CA 2.296 57.036 54.840 -0.165 0.000 0.797 995 L CB -1.293 40.589 42.059 -0.296 0.000 0.893 995 L HN 0.412 nan 8.230 nan 0.000 0.432 996 W N -0.046 121.229 121.300 -0.041 0.000 2.290 996 W HA -0.301 4.359 4.660 -0.000 0.000 0.311 996 W C 2.520 179.025 176.519 -0.025 0.000 1.238 996 W CA 1.856 59.186 57.345 -0.025 0.000 1.255 996 W CB -1.036 28.407 29.460 -0.029 0.000 1.145 996 W HN 0.284 nan 8.180 nan 0.000 0.506 997 T N -0.071 114.591 114.554 0.180 0.000 2.652 997 T HA -0.276 4.074 4.350 -0.000 0.000 0.267 997 T C 1.338 176.083 174.700 0.074 0.000 1.039 997 T CA 1.863 64.022 62.100 0.098 0.000 1.153 997 T CB -0.476 68.418 68.868 0.043 0.000 0.863 997 T HN 0.208 nan 8.240 nan 0.000 0.428 998 E N -0.006 120.219 120.200 0.041 0.000 2.058 998 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 998 E C 2.502 179.136 176.600 0.055 0.000 0.997 998 E CA 1.561 57.977 56.400 0.027 0.000 0.801 998 E CB -0.226 29.470 29.700 -0.006 0.000 0.746 998 E HN 0.391 nan 8.360 nan 0.000 0.450 999 T N -0.873 113.720 114.554 0.065 0.000 2.708 999 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 999 T C 1.970 176.751 174.700 0.135 0.000 1.037 999 T CA 1.948 64.119 62.100 0.118 0.000 1.146 999 T CB -0.497 68.420 68.868 0.083 0.000 0.865 999 T HN 0.133 nan 8.240 nan 0.000 0.435 1000 T N 1.939 116.593 114.554 0.167 0.000 2.649 1000 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 1000 T C 1.745 176.470 174.700 0.042 0.000 1.036 1000 T CA 2.069 64.237 62.100 0.112 0.000 1.157 1000 T CB -0.420 68.507 68.868 0.098 0.000 0.861 1000 T HN 0.639 nan 8.240 nan 0.000 0.445 1001 E N 0.135 120.358 120.200 0.039 0.000 2.204 1001 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 1001 E C 2.186 178.787 176.600 0.001 0.000 0.989 1001 E CA 0.583 56.989 56.400 0.011 0.000 0.824 1001 E CB 0.058 29.765 29.700 0.012 0.000 0.756 1001 E HN 0.281 nan 8.360 nan 0.000 0.477 1002 K N 0.487 120.903 120.400 0.026 0.000 2.418 1002 K HA 0.016 4.336 4.320 -0.000 0.000 0.195 1002 K C 1.870 178.294 176.600 -0.293 0.000 1.035 1002 K CA 0.404 56.713 56.287 0.037 0.000 1.003 1002 K CB 0.469 33.143 32.500 0.289 0.000 0.793 1002 K HN 0.074 nan 8.250 nan 0.000 0.494 1003 V N 0.202 119.933 119.914 -0.305 0.000 2.825 1003 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 1003 V C 2.115 178.085 176.094 -0.208 0.000 1.068 1003 V CA 1.208 63.238 62.300 -0.451 0.000 1.088 1003 V CB -0.397 31.288 31.823 -0.231 0.000 0.733 1003 V HN 0.191 nan 8.190 nan 0.000 0.468 1004 T N 0.156 114.658 114.554 -0.088 0.000 2.569 1004 T HA -0.330 4.020 4.350 -0.000 0.000 0.263 1004 T C 1.929 176.654 174.700 0.042 0.000 1.074 1004 T CA 2.330 64.437 62.100 0.011 0.000 1.176 1004 T CB -0.337 68.531 68.868 0.000 0.000 0.863 1004 T HN 0.532 nan 8.240 nan 0.000 0.410 1005 Q N 0.412 120.209 119.800 -0.005 0.000 2.308 1005 Q HA -0.162 4.177 4.340 -0.000 0.000 0.209 1005 Q C 2.023 178.009 176.000 -0.024 0.000 0.985 1005 Q CA 1.367 57.173 55.803 0.005 0.000 0.881 1005 Q CB -0.193 28.541 28.738 -0.006 0.000 0.917 1005 Q HN 0.559 nan 8.270 nan 0.000 0.443 1006 A N 0.118 122.884 122.820 -0.090 0.000 1.858 1006 A HA -0.087 4.232 4.320 -0.000 0.000 0.215 1006 A C 2.026 179.566 177.584 -0.074 0.000 1.320 1006 A CA 0.922 52.887 52.037 -0.121 0.000 0.601 1006 A CB -1.367 17.439 19.000 -0.323 0.000 0.976 1006 A HN 0.325 nan 8.150 nan 0.000 0.470 1007 V N -0.973 118.911 119.914 -0.051 0.000 2.277 1007 V HA -0.268 3.852 4.120 -0.000 0.000 0.253 1007 V C 1.895 178.007 176.094 0.030 0.000 1.067 1007 V CA 2.558 64.871 62.300 0.020 0.000 1.047 1007 V CB -0.634 31.225 31.823 0.059 0.000 0.649 1007 V HN 0.494 nan 8.190 nan 0.000 0.447 1008 F N 1.548 121.487 119.950 -0.020 0.000 2.707 1008 F HA 0.136 4.663 4.527 -0.000 0.000 0.299 1008 F C 1.250 176.745 175.800 -0.508 0.000 1.259 1008 F CA 0.893 58.885 58.000 -0.013 0.000 1.437 1008 F CB -0.477 38.547 39.000 0.041 0.000 1.071 1008 F HN 0.683 nan 8.300 nan 0.000 0.518 1009 N N -1.955 116.401 118.700 -0.573 0.000 1.856 1009 N HA -0.094 4.645 4.740 -0.000 0.000 0.223 1009 N C 0.980 176.220 175.510 -0.449 0.000 1.438 1009 N CA 0.437 53.071 53.050 -0.694 0.000 0.693 1009 N CB -0.887 37.425 38.487 -0.290 0.000 1.051 1009 N HN -0.036 nan 8.380 nan 0.000 0.563 1010 N N 1.246 119.786 118.700 -0.265 0.000 2.166 1010 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 1010 N C 1.341 176.790 175.510 -0.102 0.000 1.019 1010 N CA 2.040 55.029 53.050 -0.101 0.000 0.856 1010 N CB -0.504 38.002 38.487 0.033 0.000 0.993 1010 N HN 0.501 nan 8.380 nan 0.000 0.426 1011 F N 0.052 119.975 119.950 -0.044 0.000 2.259 1011 F HA 0.213 4.740 4.527 -0.000 0.000 0.298 1011 F C 2.014 177.776 175.800 -0.065 0.000 1.088 1011 F CA 0.580 58.566 58.000 -0.022 0.000 1.358 1011 F CB -0.808 38.208 39.000 0.027 0.000 1.040 1011 F HN 0.022 nan 8.300 nan 0.000 0.505 1012 E N 0.872 120.809 120.200 -0.438 0.000 2.448 1012 E HA -0.204 4.146 4.350 -0.000 0.000 0.203 1012 E C 0.542 177.098 176.600 -0.074 0.000 1.046 1012 E CA 1.386 57.668 56.400 -0.197 0.000 0.871 1012 E CB -0.127 29.381 29.700 -0.319 0.000 0.790 1012 E HN 0.744 nan 8.360 nan 0.000 0.545 1013 E N -0.687 119.456 120.200 -0.095 0.000 2.794 1013 E HA 0.168 4.518 4.350 -0.000 0.000 0.203 1013 E C -0.854 175.657 176.600 -0.148 0.000 0.953 1013 E CA -0.171 56.176 56.400 -0.089 0.000 1.284 1013 E CB 0.725 30.371 29.700 -0.090 0.000 1.077 1013 E HN 0.004 nan 8.360 nan 0.000 0.508 1014 N N 0.779 119.341 118.700 -0.231 0.000 2.812 1014 N HA 0.097 4.837 4.740 -0.000 0.000 0.262 1014 N C -1.638 173.445 175.510 -0.712 0.000 1.241 1014 N CA -0.330 52.356 53.050 -0.606 0.000 0.854 1014 N CB 0.809 38.795 38.487 -0.834 0.000 1.506 1014 N HN 0.100 nan 8.380 nan 0.000 0.576 1015 Y N -1.078 119.304 120.300 0.136 0.000 3.503 1015 Y HA -0.109 4.441 4.550 -0.000 0.000 0.222 1015 Y C -1.790 174.211 175.900 0.169 0.000 1.817 1015 Y CA -0.887 57.305 58.100 0.152 0.000 1.697 1015 Y CB -2.330 36.205 38.460 0.125 0.000 1.651 1015 Y HN 0.411 nan 8.280 nan 0.000 0.556 1016 P HA -0.071 nan 4.420 nan 0.000 0.231 1016 P C 0.813 178.011 177.300 -0.171 0.000 1.158 1016 P CA 1.627 64.781 63.100 0.090 0.000 0.763 1016 P CB 0.054 31.780 31.700 0.043 0.000 0.805 1017 F N -1.277 118.698 119.950 0.040 0.000 2.102 1017 F HA 0.191 4.718 4.527 -0.000 0.000 0.254 1017 F C 2.184 178.021 175.800 0.060 0.000 0.975 1017 F CA -0.210 57.778 58.000 -0.021 0.000 1.176 1017 F CB -1.331 37.549 39.000 -0.201 0.000 1.358 1017 F HN -0.281 nan 8.300 nan 0.000 0.728 1018 N N 1.053 119.967 118.700 0.356 0.000 2.090 1018 N HA -0.217 4.523 4.740 -0.000 0.000 0.156 1018 N C -1.935 173.594 175.510 0.033 0.000 0.679 1018 N CA 1.731 54.880 53.050 0.165 0.000 0.868 1018 N CB -2.369 36.196 38.487 0.131 0.000 0.926 1018 N HN 0.166 nan 8.380 nan 0.000 1.155 1019 P HA 0.109 nan 4.420 nan 0.000 0.275 1019 P C 0.149 177.396 177.300 -0.088 0.000 1.276 1019 P CA 0.207 63.225 63.100 -0.137 0.000 0.782 1019 P CB 0.113 31.645 31.700 -0.279 0.000 0.851 1020 L N 1.956 123.156 121.223 -0.037 0.000 2.747 1020 L HA 0.045 4.385 4.340 -0.000 0.000 0.248 1020 L C 1.479 178.309 176.870 -0.067 0.000 1.191 1020 L CA 0.417 55.252 54.840 -0.007 0.000 1.003 1020 L CB -1.158 40.894 42.059 -0.012 0.000 1.235 1020 L HN 0.450 nan 8.230 nan 0.000 0.426 1021 Y N -1.825 118.400 120.300 -0.125 0.000 2.675 1021 Y HA 0.419 4.969 4.550 -0.000 0.000 0.248 1021 Y C 1.304 177.047 175.900 -0.261 0.000 1.161 1021 Y CA 0.007 58.020 58.100 -0.143 0.000 1.203 1021 Y CB 0.194 38.584 38.460 -0.116 0.000 1.262 1021 Y HN 0.060 nan 8.280 nan 0.000 0.544 1022 V N -0.883 118.825 119.914 -0.345 0.000 2.996 1022 V HA -0.057 4.063 4.120 -0.000 0.000 0.235 1022 V C 2.345 178.218 176.094 -0.369 0.000 1.205 1022 V CA 1.257 63.214 62.300 -0.571 0.000 1.225 1022 V CB 0.287 31.472 31.823 -1.063 0.000 0.995 1022 V HN 0.516 nan 8.190 nan 0.000 0.484 1023 M N 1.202 120.630 119.600 -0.287 0.000 2.144 1023 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 1023 M C 2.204 178.258 176.300 -0.411 0.000 1.067 1023 M CA 2.314 57.347 55.300 -0.445 0.000 1.095 1023 M CB -1.984 30.504 32.600 -0.187 0.000 1.365 1023 M HN 0.358 nan 8.290 nan 0.000 0.406 1024 A N 0.447 123.135 122.820 -0.220 0.000 1.821 1024 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 1024 A C 2.506 180.028 177.584 -0.104 0.000 1.216 1024 A CA 3.421 55.373 52.037 -0.141 0.000 0.615 1024 A CB -1.496 17.453 19.000 -0.085 0.000 0.862 1024 A HN 0.508 nan 8.150 nan 0.000 0.450 1025 Q N -0.904 118.865 119.800 -0.052 0.000 2.124 1025 Q HA -0.276 4.064 4.340 -0.000 0.000 0.215 1025 Q C 2.071 178.145 176.000 0.124 0.000 1.015 1025 Q CA 2.650 58.513 55.803 0.099 0.000 0.890 1025 Q CB -1.676 27.180 28.738 0.196 0.000 0.966 1025 Q HN 0.641 nan 8.270 nan 0.000 0.412 1026 S N 0.260 115.982 115.700 0.037 0.000 2.871 1026 S HA 0.470 4.940 4.470 -0.000 0.000 0.254 1026 S C 0.553 175.107 174.600 -0.077 0.000 1.088 1026 S CA 0.601 58.834 58.200 0.054 0.000 1.166 1026 S CB -0.722 62.523 63.200 0.075 0.000 0.826 1026 S HN 1.620 nan 8.310 nan 0.000 0.471 1027 G N 0.290 109.044 108.800 -0.077 0.000 3.035 1027 G HA2 0.356 4.316 3.960 -0.000 0.000 0.674 1027 G HA3 0.356 4.316 3.960 -0.000 0.000 0.674 1027 G C -0.079 174.733 174.900 -0.147 0.000 1.159 1027 G CA -0.547 44.504 45.100 -0.082 0.000 1.098 1027 G HN 0.842 nan 8.290 nan 0.000 0.473 1028 A N 0.727 123.497 122.820 -0.082 0.000 3.522 1028 A HA 0.911 5.231 4.320 -0.000 0.000 0.100 1028 A C 1.103 178.661 177.584 -0.043 0.000 1.309 1028 A CA 1.627 53.620 52.037 -0.072 0.000 1.277 1028 A CB -0.883 18.043 19.000 -0.124 0.000 0.983 1028 A HN 2.505 nan 8.150 nan 0.000 0.456 1029 R N 0.434 120.906 120.500 -0.045 0.000 2.579 1029 R HA 0.638 4.977 4.340 -0.000 0.000 0.386 1029 R C 0.652 176.943 176.300 -0.014 0.000 1.065 1029 R CA 1.280 57.366 56.100 -0.024 0.000 1.143 1029 R CB -0.021 30.266 30.300 -0.021 0.000 1.357 1029 R HN 2.228 nan 8.270 nan 0.000 0.644 1030 G N 0.012 108.807 108.800 -0.009 0.000 3.291 1030 G HA2 0.596 4.556 3.960 -0.000 0.000 0.173 1030 G HA3 0.596 4.556 3.960 -0.000 0.000 0.173 1030 G C -0.703 174.218 174.900 0.034 0.000 1.099 1030 G CA 0.009 45.118 45.100 0.015 0.000 0.794 1030 G HN 1.225 nan 8.290 nan 0.000 0.651 1031 N N -1.044 117.700 118.700 0.074 0.000 5.380 1031 N HA 0.124 4.864 4.740 -0.000 0.000 0.166 1031 N C -2.520 173.049 175.510 0.097 0.000 1.036 1031 N CA -0.191 52.894 53.050 0.058 0.000 1.032 1031 N CB 1.318 39.817 38.487 0.020 0.000 1.546 1031 N HN 0.232 nan 8.380 nan 0.000 0.732 1032 P HA -0.195 nan 4.420 nan 0.000 0.217 1032 P C 0.793 178.036 177.300 -0.095 0.000 1.151 1032 P CA 1.537 64.479 63.100 -0.263 0.000 0.828 1032 P CB 0.237 31.429 31.700 -0.847 0.000 0.788 1033 Q N -0.142 119.612 119.800 -0.077 0.000 2.124 1033 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 1033 Q C 2.395 178.398 176.000 0.004 0.000 0.977 1033 Q CA 1.257 57.035 55.803 -0.043 0.000 0.850 1033 Q CB -0.805 27.907 28.738 -0.044 0.000 0.901 1033 Q HN 0.100 nan 8.270 nan 0.000 0.429 1034 Q N 0.968 120.791 119.800 0.037 0.000 2.020 1034 Q HA -0.048 4.291 4.340 -0.000 0.000 0.198 1034 Q C 2.099 178.169 176.000 0.117 0.000 0.974 1034 Q CA 1.452 57.295 55.803 0.068 0.000 0.829 1034 Q CB -0.180 28.605 28.738 0.078 0.000 0.894 1034 Q HN 0.451 nan 8.270 nan 0.000 0.433 1035 I N 1.749 122.430 120.570 0.186 0.000 2.091 1035 I HA -0.371 3.799 4.170 -0.000 0.000 0.240 1035 I C 2.136 178.384 176.117 0.218 0.000 1.046 1035 I CA 2.265 63.719 61.300 0.258 0.000 1.306 1035 I CB -1.384 36.943 38.000 0.545 0.000 1.018 1035 I HN 0.461 nan 8.210 nan 0.000 0.404 1036 R N 1.468 122.100 120.500 0.219 0.000 2.397 1036 R HA -0.188 4.152 4.340 -0.000 0.000 0.213 1036 R C 1.683 178.002 176.300 0.032 0.000 1.102 1036 R CA 1.278 57.456 56.100 0.129 0.000 1.040 1036 R CB -0.435 29.910 30.300 0.075 0.000 0.844 1036 R HN 0.569 nan 8.270 nan 0.000 0.478 1037 Q N -0.007 119.805 119.800 0.020 0.000 2.316 1037 Q HA 0.189 4.529 4.340 -0.000 0.000 0.235 1037 Q C 1.473 177.439 176.000 -0.057 0.000 0.863 1037 Q CA -0.127 55.603 55.803 -0.120 0.000 0.939 1037 Q CB 0.449 29.096 28.738 -0.152 0.000 1.108 1037 Q HN 0.412 nan 8.270 nan 0.000 0.522 1038 L N -0.920 120.401 121.223 0.163 0.000 2.253 1038 L HA 0.065 4.405 4.340 -0.000 0.000 0.205 1038 L C 1.589 178.583 176.870 0.206 0.000 1.078 1038 L CA 0.538 55.568 54.840 0.316 0.000 0.805 1038 L CB 0.314 42.512 42.059 0.231 0.000 0.963 1038 L HN 0.337 nan 8.230 nan 0.000 0.459 1039 C N -1.434 117.945 119.300 0.132 0.000 2.823 1039 C HA 0.410 4.870 4.460 -0.000 0.000 0.271 1039 C C 1.476 176.510 174.990 0.073 0.000 1.880 1039 C CA -0.237 58.842 59.018 0.101 0.000 1.844 1039 C CB -1.115 26.681 27.740 0.094 0.000 1.511 1039 C HN 0.379 nan 8.230 nan 0.000 0.770 1040 G N 2.517 111.356 108.800 0.065 0.000 2.491 1040 G HA2 0.403 4.362 3.960 -0.000 0.000 0.242 1040 G HA3 0.403 4.362 3.960 -0.000 0.000 0.242 1040 G C 0.150 175.054 174.900 0.007 0.000 1.266 1040 G CA -0.101 45.016 45.100 0.029 0.000 0.844 1040 G HN 0.472 nan 8.290 nan 0.000 0.571 1041 M N 1.647 121.243 119.600 -0.006 0.000 2.245 1041 M HA 0.246 4.726 4.480 -0.000 0.000 0.312 1041 M C -0.078 176.178 176.300 -0.073 0.000 1.070 1041 M CA 0.342 55.617 55.300 -0.041 0.000 1.162 1041 M CB 0.356 32.946 32.600 -0.017 0.000 1.448 1041 M HN 0.661 nan 8.290 nan 0.000 0.446 1042 R N 2.209 122.624 120.500 -0.140 0.000 2.514 1042 R HA 0.702 5.042 4.340 -0.000 0.000 0.296 1042 R C -0.193 175.999 176.300 -0.180 0.000 1.012 1042 R CA -0.308 55.699 56.100 -0.156 0.000 0.897 1042 R CB 0.921 31.083 30.300 -0.230 0.000 1.184 1042 R HN 0.845 nan 8.270 nan 0.000 0.440 1043 G N 1.832 110.543 108.800 -0.149 0.000 3.601 1043 G HA2 0.007 3.967 3.960 -0.000 0.000 0.192 1043 G HA3 0.007 3.967 3.960 -0.000 0.000 0.192 1043 G C -0.461 174.337 174.900 -0.170 0.000 1.184 1043 G CA -0.320 44.665 45.100 -0.193 0.000 0.891 1043 G HN 0.410 nan 8.290 nan 0.000 0.706 1044 L N 2.506 123.672 121.223 -0.097 0.000 2.803 1044 L HA 0.544 4.884 4.340 -0.000 0.000 0.241 1044 L C 0.887 177.754 176.870 -0.005 0.000 1.404 1044 L CA -0.367 54.447 54.840 -0.045 0.000 1.211 1044 L CB -0.744 41.325 42.059 0.016 0.000 1.585 1044 L HN 0.107 nan 8.230 nan 0.000 0.430 1045 M N 0.768 120.353 119.600 -0.026 0.000 2.243 1045 M HA 0.034 4.513 4.480 -0.000 0.000 0.309 1045 M C 0.376 176.796 176.300 0.200 0.000 1.050 1045 M CA 1.013 56.329 55.300 0.026 0.000 1.139 1045 M CB 0.288 32.836 32.600 -0.086 0.000 1.457 1045 M HN 0.558 nan 8.290 nan 0.000 0.440 1046 Q N 1.356 121.282 119.800 0.211 0.000 2.387 1046 Q HA 0.542 4.882 4.340 -0.000 0.000 0.273 1046 Q C -1.014 175.102 176.000 0.194 0.000 1.089 1046 Q CA -1.193 54.709 55.803 0.165 0.000 0.824 1046 Q CB 1.693 30.462 28.738 0.052 0.000 1.367 1046 Q HN 0.501 nan 8.270 nan 0.000 0.443 1047 K N 1.017 121.233 120.400 -0.306 0.000 2.188 1047 K HA 0.068 4.388 4.320 -0.000 0.000 0.246 1047 K C -1.549 175.019 176.600 -0.053 0.000 1.026 1047 K CA -1.210 54.785 56.287 -0.487 0.000 0.871 1047 K CB 0.259 32.303 32.500 -0.761 0.000 1.042 1047 K HN 0.521 nan 8.250 nan 0.000 0.509 1048 P HA -0.092 nan 4.420 nan 0.000 0.233 1048 P C 0.236 177.579 177.300 0.072 0.000 1.167 1048 P CA 1.103 64.316 63.100 0.189 0.000 0.770 1048 P CB 0.222 32.148 31.700 0.377 0.000 0.837 1049 S N -1.246 114.456 115.700 0.002 0.000 2.562 1049 S HA 0.464 4.934 4.470 -0.000 0.000 0.246 1049 S C 0.900 175.475 174.600 -0.042 0.000 1.056 1049 S CA -0.135 58.055 58.200 -0.016 0.000 1.042 1049 S CB -1.092 62.090 63.200 -0.029 0.000 0.822 1049 S HN 0.254 nan 8.310 nan 0.000 0.465 1050 G N 0.047 108.826 108.800 -0.036 0.000 2.342 1050 G HA2 0.084 4.043 3.960 -0.000 0.000 0.267 1050 G HA3 0.084 4.043 3.960 -0.000 0.000 0.267 1050 G C 0.205 175.064 174.900 -0.069 0.000 0.922 1050 G CA 0.218 45.297 45.100 -0.035 0.000 1.342 1050 G HN 1.376 nan 8.290 nan 0.000 0.430 1051 E N 0.377 120.504 120.200 -0.123 0.000 3.293 1051 E HA 0.537 4.887 4.350 -0.000 0.000 0.174 1051 E C 0.798 177.310 176.600 -0.145 0.000 0.958 1051 E CA 0.709 57.014 56.400 -0.159 0.000 1.352 1051 E CB -1.064 28.486 29.700 -0.251 0.000 1.066 1051 E HN 2.218 nan 8.360 nan 0.000 0.448 1052 T N 0.099 114.628 114.554 -0.042 0.000 1.362 1052 T HA -0.204 4.146 4.350 -0.000 0.000 0.725 1052 T C 0.239 174.984 174.700 0.075 0.000 0.987 1052 T CA 0.332 62.467 62.100 0.059 0.000 3.843 1052 T CB -1.820 67.117 68.868 0.115 0.000 1.959 1052 T HN 0.398 nan 8.240 nan 0.000 0.346 1053 F N 1.763 121.721 119.950 0.013 0.000 2.607 1053 F HA 0.153 4.680 4.527 -0.000 0.000 0.374 1053 F C 1.960 177.783 175.800 0.039 0.000 1.104 1053 F CA -0.098 57.911 58.000 0.016 0.000 1.296 1053 F CB 0.332 39.309 39.000 -0.039 0.000 1.085 1053 F HN 0.711 nan 8.300 nan 0.000 0.584 1054 E N 1.242 121.590 120.200 0.248 0.000 2.171 1054 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 1054 E C 0.038 176.698 176.600 0.100 0.000 0.997 1054 E CA 0.647 57.166 56.400 0.198 0.000 0.810 1054 E CB 0.239 30.069 29.700 0.216 0.000 0.738 1054 E HN 0.300 nan 8.360 nan 0.000 0.467 1055 V N 3.257 123.203 119.914 0.054 0.000 2.348 1055 V HA 0.170 4.290 4.120 -0.000 0.000 0.270 1055 V C -1.752 174.183 176.094 -0.264 0.000 1.037 1055 V CA -1.544 60.683 62.300 -0.121 0.000 0.872 1055 V CB 1.207 32.991 31.823 -0.065 0.000 1.002 1055 V HN 0.222 nan 8.190 nan 0.000 0.464 1056 P HA 0.265 nan 4.420 nan 0.000 0.312 1056 P C -0.751 176.283 177.300 -0.444 0.000 1.307 1056 P CA -0.035 62.742 63.100 -0.538 0.000 0.738 1056 P CB 0.901 32.073 31.700 -0.879 0.000 1.422 1057 V N -3.280 116.415 119.914 -0.364 0.000 2.960 1057 V HA 0.737 4.857 4.120 -0.000 0.000 0.315 1057 V C 0.712 176.674 176.094 -0.220 0.000 1.087 1057 V CA -0.943 61.200 62.300 -0.261 0.000 0.982 1057 V CB 1.083 32.781 31.823 -0.208 0.000 1.039 1057 V HN 0.634 nan 8.190 nan 0.000 0.437 1058 R N 0.361 120.777 120.500 -0.140 0.000 2.666 1058 R HA 0.571 4.911 4.340 -0.000 0.000 0.275 1058 R C 0.217 176.493 176.300 -0.040 0.000 1.266 1058 R CA -0.145 55.911 56.100 -0.073 0.000 1.401 1058 R CB 0.210 30.491 30.300 -0.033 0.000 1.145 1058 R HN 0.747 nan 8.270 nan 0.000 0.581 1059 S N 0.681 116.337 115.700 -0.073 0.000 2.849 1059 S HA 0.045 4.514 4.470 -0.000 0.000 0.244 1059 S C 1.351 175.964 174.600 0.022 0.000 1.297 1059 S CA -0.068 58.088 58.200 -0.073 0.000 1.241 1059 S CB 0.249 63.274 63.200 -0.291 0.000 0.958 1059 S HN 0.725 nan 8.310 nan 0.000 0.489 1060 S N 1.560 117.304 115.700 0.072 0.000 2.434 1060 S HA -0.224 4.246 4.470 -0.000 0.000 0.243 1060 S C 1.206 175.934 174.600 0.214 0.000 1.045 1060 S CA 1.194 59.458 58.200 0.107 0.000 1.019 1060 S CB -0.453 62.802 63.200 0.093 0.000 0.811 1060 S HN 0.675 nan 8.310 nan 0.000 0.485 1061 F N 0.171 120.131 119.950 0.017 0.000 2.585 1061 F HA -0.404 4.123 4.527 -0.000 0.000 0.661 1061 F C 1.979 177.792 175.800 0.021 0.000 0.487 1061 F CA 2.044 60.056 58.000 0.020 0.000 0.686 1061 F CB -1.442 37.566 39.000 0.014 0.000 1.597 1061 F HN 0.225 nan 8.300 nan 0.000 0.259 1062 R N 1.572 122.192 120.500 0.201 0.000 2.096 1062 R HA -0.153 4.187 4.340 -0.000 0.000 0.240 1062 R C 0.473 176.807 176.300 0.058 0.000 1.139 1062 R CA 2.292 58.442 56.100 0.083 0.000 0.952 1062 R CB -0.655 29.693 30.300 0.079 0.000 0.854 1062 R HN 0.598 nan 8.270 nan 0.000 0.436 1063 E N 0.616 120.866 120.200 0.083 0.000 2.490 1063 E HA 0.253 4.602 4.350 -0.000 0.000 0.232 1063 E C -0.239 176.411 176.600 0.083 0.000 1.091 1063 E CA 0.185 56.623 56.400 0.063 0.000 1.050 1063 E CB 0.371 30.105 29.700 0.057 0.000 1.342 1063 E HN 0.579 nan 8.360 nan 0.000 0.454 1064 G N 1.425 110.272 108.800 0.078 0.000 2.791 1064 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.256 1064 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.256 1064 G C -0.129 174.881 174.900 0.183 0.000 1.380 1064 G CA -0.138 45.023 45.100 0.101 0.000 0.904 1064 G HN 0.444 nan 8.290 nan 0.000 0.563 1065 L N -0.474 120.866 121.223 0.194 0.000 3.132 1065 L HA 0.417 4.757 4.340 -0.000 0.000 0.333 1065 L C 1.859 178.835 176.870 0.177 0.000 1.293 1065 L CA 1.017 55.991 54.840 0.223 0.000 0.809 1065 L CB 0.194 42.473 42.059 0.366 0.000 1.244 1065 L HN 0.697 nan 8.230 nan 0.000 0.586 1066 T N -1.258 113.364 114.554 0.113 0.000 3.026 1066 T HA -0.150 4.200 4.350 -0.000 0.000 0.271 1066 T C 1.993 176.736 174.700 0.071 0.000 1.149 1066 T CA 1.459 63.605 62.100 0.076 0.000 1.088 1066 T CB -0.354 68.543 68.868 0.049 0.000 0.857 1066 T HN 0.265 nan 8.240 nan 0.000 0.551 1067 V N 1.081 121.041 119.914 0.076 0.000 2.428 1067 V HA -0.236 3.883 4.120 -0.000 0.000 0.255 1067 V C 1.905 178.036 176.094 0.061 0.000 1.080 1067 V CA 1.568 63.896 62.300 0.047 0.000 1.083 1067 V CB -0.842 30.994 31.823 0.022 0.000 0.665 1067 V HN 0.654 nan 8.190 nan 0.000 0.461 1068 L N -0.789 120.501 121.223 0.112 0.000 4.312 1068 L HA -0.342 3.998 4.340 -0.000 0.000 0.427 1068 L C 1.551 178.503 176.870 0.137 0.000 1.149 1068 L CA 0.983 55.897 54.840 0.124 0.000 0.978 1068 L CB -0.620 41.473 42.059 0.057 0.000 1.963 1068 L HN 0.467 nan 8.230 nan 0.000 0.970 1069 E N -1.047 119.214 120.200 0.101 0.000 2.481 1069 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 1069 E C 1.314 177.975 176.600 0.102 0.000 1.047 1069 E CA 0.615 57.041 56.400 0.042 0.000 0.867 1069 E CB -0.087 29.577 29.700 -0.061 0.000 0.858 1069 E HN 0.583 nan 8.360 nan 0.000 0.513 1070 Y N -0.185 120.128 120.300 0.021 0.000 2.218 1070 Y HA -0.428 4.122 4.550 -0.000 0.000 0.272 1070 Y C 1.723 177.643 175.900 0.034 0.000 1.280 1070 Y CA 2.321 60.440 58.100 0.032 0.000 1.117 1070 Y CB -0.581 37.916 38.460 0.062 0.000 0.924 1070 Y HN 0.317 nan 8.280 nan 0.000 0.522 1071 F N -0.360 119.700 119.950 0.182 0.000 2.043 1071 F HA -0.331 4.196 4.527 -0.000 0.000 0.297 1071 F C 2.088 177.946 175.800 0.097 0.000 1.121 1071 F CA 2.014 60.104 58.000 0.149 0.000 1.199 1071 F CB -0.826 38.239 39.000 0.108 0.000 0.968 1071 F HN 0.039 nan 8.300 nan 0.000 0.478 1072 I N 0.783 121.357 120.570 0.007 0.000 2.121 1072 I HA -0.432 3.738 4.170 -0.000 0.000 0.243 1072 I C 2.726 178.570 176.117 -0.455 0.000 1.047 1072 I CA 2.273 63.225 61.300 -0.579 0.000 1.308 1072 I CB -1.234 36.249 38.000 -0.862 0.000 1.015 1072 I HN 0.391 nan 8.210 nan 0.000 0.410 1073 S N -0.996 114.541 115.700 -0.271 0.000 2.527 1073 S HA -0.058 4.412 4.470 -0.000 0.000 0.222 1073 S C 2.020 176.540 174.600 -0.133 0.000 0.985 1073 S CA 0.516 58.597 58.200 -0.198 0.000 0.921 1073 S CB -0.774 62.280 63.200 -0.244 0.000 0.772 1073 S HN 0.550 nan 8.310 nan 0.000 0.529 1074 S N 1.721 117.346 115.700 -0.125 0.000 2.419 1074 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 1074 S C 1.363 175.895 174.600 -0.114 0.000 1.019 1074 S CA 0.654 58.769 58.200 -0.142 0.000 0.982 1074 S CB -0.994 62.050 63.200 -0.260 0.000 0.789 1074 S HN 0.789 nan 8.310 nan 0.000 0.490 1075 H N 1.127 120.043 119.070 -0.257 0.000 3.970 1075 H HA 0.210 4.765 4.556 -0.000 0.000 0.296 1075 H C 2.510 177.790 175.328 -0.080 0.000 1.061 1075 H CA -0.002 55.963 56.048 -0.140 0.000 1.216 1075 H CB -1.182 28.547 29.762 -0.055 0.000 1.892 1075 H HN 0.440 nan 8.280 nan 0.000 1.180 1076 G N 0.866 109.749 108.800 0.137 0.000 3.282 1076 G HA2 -0.492 3.468 3.960 -0.000 0.000 0.358 1076 G HA3 -0.492 3.468 3.960 -0.000 0.000 0.358 1076 G C 1.792 176.702 174.900 0.017 0.000 1.920 1076 G CA 2.698 47.830 45.100 0.053 0.000 2.137 1076 G HN 0.693 nan 8.290 nan 0.000 0.942 1077 A N -0.370 122.446 122.820 -0.008 0.000 1.948 1077 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 1077 A C 2.487 180.068 177.584 -0.005 0.000 1.177 1077 A CA 2.332 54.360 52.037 -0.015 0.000 0.636 1077 A CB -0.395 18.585 19.000 -0.033 0.000 0.815 1077 A HN 0.435 nan 8.150 nan 0.000 0.449 1078 R N 0.263 120.759 120.500 -0.007 0.000 2.062 1078 R HA -0.144 4.196 4.340 -0.000 0.000 0.231 1078 R C 2.256 178.559 176.300 0.005 0.000 1.136 1078 R CA 1.787 57.882 56.100 -0.008 0.000 0.948 1078 R CB -0.716 29.567 30.300 -0.027 0.000 0.845 1078 R HN 0.882 nan 8.270 nan 0.000 0.430 1079 K N -0.146 120.263 120.400 0.015 0.000 2.152 1079 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 1079 K C 1.674 178.283 176.600 0.015 0.000 1.048 1079 K CA 1.703 58.001 56.287 0.019 0.000 0.933 1079 K CB -0.493 32.024 32.500 0.029 0.000 0.721 1079 K HN 0.119 nan 8.250 nan 0.000 0.447 1080 G N 0.265 109.072 108.800 0.012 0.000 3.262 1080 G HA2 0.148 4.108 3.960 -0.000 0.000 0.222 1080 G HA3 0.148 4.108 3.960 -0.000 0.000 0.222 1080 G C 0.634 175.539 174.900 0.008 0.000 1.269 1080 G CA 0.164 45.269 45.100 0.008 0.000 1.032 1080 G HN 0.532 nan 8.290 nan 0.000 0.502 1081 G N -1.718 107.088 108.800 0.010 0.000 3.601 1081 G HA2 0.315 4.275 3.960 -0.000 0.000 0.192 1081 G HA3 0.315 4.275 3.960 -0.000 0.000 0.192 1081 G C 1.248 176.155 174.900 0.012 0.000 1.184 1081 G CA 0.899 46.005 45.100 0.010 0.000 0.891 1081 G HN 0.392 nan 8.290 nan 0.000 0.706 1082 A N 0.932 123.759 122.820 0.013 0.000 1.929 1082 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 1082 A C 1.858 179.453 177.584 0.019 0.000 1.176 1082 A CA 1.959 54.005 52.037 0.015 0.000 0.628 1082 A CB -0.198 18.812 19.000 0.016 0.000 0.816 1082 A HN 0.203 nan 8.150 nan 0.000 0.444 1083 D N -0.279 120.132 120.400 0.019 0.000 2.149 1083 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 1083 D C 2.230 178.544 176.300 0.023 0.000 0.972 1083 D CA 1.949 55.963 54.000 0.023 0.000 0.835 1083 D CB -0.472 40.341 40.800 0.021 0.000 0.966 1083 D HN 0.591 nan 8.370 nan 0.000 0.476 1084 T N -0.618 113.947 114.554 0.019 0.000 2.969 1084 T HA -0.080 4.270 4.350 -0.000 0.000 0.271 1084 T C 1.767 176.479 174.700 0.020 0.000 1.127 1084 T CA 1.093 63.203 62.100 0.018 0.000 1.102 1084 T CB -0.249 68.628 68.868 0.015 0.000 0.855 1084 T HN 0.049 nan 8.240 nan 0.000 0.536 1085 A N 0.488 123.321 122.820 0.021 0.000 2.255 1085 A HA 0.401 4.721 4.320 -0.000 0.000 0.206 1085 A C 1.815 179.416 177.584 0.029 0.000 1.193 1085 A CA 0.139 52.189 52.037 0.022 0.000 0.794 1085 A CB -0.692 18.320 19.000 0.021 0.000 0.794 1085 A HN 0.510 nan 8.150 nan 0.000 0.481 1086 L N -0.628 120.614 121.223 0.032 0.000 2.645 1086 L HA 0.143 4.483 4.340 -0.000 0.000 0.235 1086 L C 1.932 178.826 176.870 0.040 0.000 1.150 1086 L CA 0.601 55.466 54.840 0.042 0.000 0.911 1086 L CB -0.648 41.436 42.059 0.042 0.000 1.077 1086 L HN 0.501 nan 8.230 nan 0.000 0.438 1087 R N -1.045 119.473 120.500 0.031 0.000 2.097 1087 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 1087 R C 1.659 177.976 176.300 0.029 0.000 1.135 1087 R CA 2.430 58.546 56.100 0.026 0.000 0.934 1087 R CB -0.410 29.902 30.300 0.020 0.000 0.846 1087 R HN 0.390 nan 8.270 nan 0.000 0.431 1088 T N 0.862 115.433 114.554 0.028 0.000 2.985 1088 T HA 0.069 4.419 4.350 -0.000 0.000 0.266 1088 T C 1.654 176.380 174.700 0.043 0.000 1.076 1088 T CA 0.614 62.730 62.100 0.027 0.000 1.135 1088 T CB -0.237 68.641 68.868 0.018 0.000 0.890 1088 T HN 0.475 nan 8.240 nan 0.000 0.480 1089 A N 3.107 125.963 122.820 0.059 0.000 2.292 1089 A HA -0.296 4.024 4.320 -0.000 0.000 0.215 1089 A C 1.805 179.468 177.584 0.133 0.000 1.339 1089 A CA 2.107 54.203 52.037 0.099 0.000 0.895 1089 A CB -1.158 17.901 19.000 0.099 0.000 0.795 1089 A HN 0.429 nan 8.150 nan 0.000 0.529 1090 D N 0.028 120.501 120.400 0.123 0.000 2.400 1090 D HA 0.006 4.646 4.640 -0.000 0.000 0.242 1090 D C 0.396 176.756 176.300 0.101 0.000 1.077 1090 D CA 0.975 55.055 54.000 0.134 0.000 0.943 1090 D CB -0.282 40.577 40.800 0.098 0.000 0.882 1090 D HN 0.237 nan 8.370 nan 0.000 0.529 1091 S N -0.530 115.214 115.700 0.074 0.000 3.334 1091 S HA 0.432 4.902 4.470 -0.000 0.000 0.188 1091 S C 0.852 175.471 174.600 0.031 0.000 1.404 1091 S CA 0.009 58.233 58.200 0.041 0.000 1.040 1091 S CB -0.316 62.898 63.200 0.023 0.000 1.352 1091 S HN 0.359 nan 8.310 nan 0.000 0.501 1092 G N 1.895 110.725 108.800 0.050 0.000 2.559 1092 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.202 1092 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.202 1092 G C -0.362 174.570 174.900 0.054 0.000 0.992 1092 G CA -0.517 44.590 45.100 0.011 0.000 0.764 1092 G HN 0.564 nan 8.290 nan 0.000 0.525 1093 Y N -1.115 119.201 120.300 0.028 0.000 2.615 1093 Y HA 0.467 5.017 4.550 -0.000 0.000 0.341 1093 Y C 0.933 176.866 175.900 0.055 0.000 1.089 1093 Y CA -0.901 57.226 58.100 0.044 0.000 1.049 1093 Y CB 1.607 40.097 38.460 0.050 0.000 1.296 1093 Y HN 0.332 nan 8.280 nan 0.000 0.470 1094 L N 0.379 121.739 121.223 0.229 0.000 4.244 1094 L HA -0.474 3.865 4.340 -0.000 0.000 0.053 1094 L C 1.693 178.618 176.870 0.092 0.000 3.875 1094 L CA 2.879 57.781 54.840 0.103 0.000 1.095 1094 L CB -1.877 40.242 42.059 0.100 0.000 3.276 1094 L HN 0.923 nan 8.230 nan 0.000 0.889 1095 T N 0.111 114.717 114.554 0.086 0.000 2.620 1095 T HA -0.352 3.998 4.350 -0.000 0.000 0.267 1095 T C 1.677 176.402 174.700 0.041 0.000 1.044 1095 T CA 2.434 64.564 62.100 0.051 0.000 1.161 1095 T CB -0.390 68.505 68.868 0.045 0.000 0.862 1095 T HN 0.475 nan 8.240 nan 0.000 0.438 1096 R N 0.995 121.533 120.500 0.062 0.000 2.096 1096 R HA -0.155 4.185 4.340 -0.000 0.000 0.240 1096 R C 2.391 178.728 176.300 0.062 0.000 1.139 1096 R CA 1.740 57.868 56.100 0.048 0.000 0.952 1096 R CB -0.115 30.219 30.300 0.057 0.000 0.854 1096 R HN 0.379 nan 8.270 nan 0.000 0.436 1097 K N -0.118 120.343 120.400 0.103 0.000 2.025 1097 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 1097 K C 2.153 178.770 176.600 0.028 0.000 1.049 1097 K CA 1.282 57.630 56.287 0.101 0.000 0.933 1097 K CB -0.128 32.467 32.500 0.159 0.000 0.714 1097 K HN 0.094 nan 8.250 nan 0.000 0.438 1098 L N 0.665 121.863 121.223 -0.042 0.000 2.056 1098 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 1098 L C 2.231 179.084 176.870 -0.030 0.000 1.078 1098 L CA 1.111 55.876 54.840 -0.125 0.000 0.749 1098 L CB -0.593 41.333 42.059 -0.222 0.000 0.901 1098 L HN -0.070 nan 8.230 nan 0.000 0.433 1099 V N -0.185 119.732 119.914 0.005 0.000 2.546 1099 V HA -0.312 3.808 4.120 -0.000 0.000 0.254 1099 V C 1.951 178.113 176.094 0.113 0.000 1.076 1099 V CA 1.790 64.110 62.300 0.034 0.000 1.087 1099 V CB -0.590 31.231 31.823 -0.003 0.000 0.674 1099 V HN 0.477 nan 8.190 nan 0.000 0.470 1100 D N -0.620 119.850 120.400 0.116 0.000 2.213 1100 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 1100 D C 2.065 178.489 176.300 0.207 0.000 0.961 1100 D CA 0.885 55.008 54.000 0.206 0.000 0.853 1100 D CB 0.212 41.129 40.800 0.195 0.000 0.967 1100 D HN 0.372 nan 8.370 nan 0.000 0.496 1101 V N 1.060 121.031 119.914 0.095 0.000 2.649 1101 V HA 0.051 4.171 4.120 -0.000 0.000 0.248 1101 V C 1.557 177.640 176.094 -0.018 0.000 1.054 1101 V CA 0.958 63.277 62.300 0.033 0.000 1.073 1101 V CB -0.334 31.481 31.823 -0.013 0.000 0.699 1101 V HN 0.111 nan 8.190 nan 0.000 0.463 1102 A N -0.101 122.721 122.820 0.003 0.000 2.918 1102 A HA 0.480 4.800 4.320 -0.000 0.000 0.217 1102 A C 0.594 178.153 177.584 -0.042 0.000 1.936 1102 A CA 0.570 52.596 52.037 -0.019 0.000 0.878 1102 A CB -0.446 18.559 19.000 0.008 0.000 1.828 1102 A HN 1.098 nan 8.150 nan 0.000 0.716 1103 H N -2.842 116.205 119.070 -0.039 0.000 3.159 1103 H HA -0.244 4.312 4.556 -0.000 0.000 0.288 1103 H C 0.334 175.637 175.328 -0.042 0.000 0.857 1103 H CA 1.627 57.648 56.048 -0.045 0.000 1.028 1103 H CB -0.700 29.034 29.762 -0.045 0.000 1.021 1103 H HN 1.508 nan 8.280 nan 0.000 0.708 1104 E N -0.647 119.518 120.200 -0.059 0.000 3.680 1104 E HA -0.237 4.113 4.350 -0.000 0.000 0.309 1104 E C -0.706 175.828 176.600 -0.109 0.000 0.793 1104 E CA 1.552 57.858 56.400 -0.157 0.000 1.083 1104 E CB -0.740 28.706 29.700 -0.423 0.000 1.548 1104 E HN 0.511 nan 8.360 nan 0.000 0.456 1105 I N 2.594 123.110 120.570 -0.090 0.000 2.442 1105 I HA 0.319 4.489 4.170 -0.000 0.000 0.279 1105 I C 0.124 176.198 176.117 -0.072 0.000 1.081 1105 I CA -0.436 60.822 61.300 -0.071 0.000 1.197 1105 I CB 1.001 38.955 38.000 -0.076 0.000 1.394 1105 I HN -0.050 nan 8.210 nan 0.000 0.488 1106 V N 5.385 125.265 119.914 -0.057 0.000 2.864 1106 V HA 0.390 4.509 4.120 -0.000 0.000 0.314 1106 V C 0.340 176.396 176.094 -0.063 0.000 1.073 1106 V CA -0.973 61.289 62.300 -0.063 0.000 0.956 1106 V CB 2.887 34.691 31.823 -0.031 0.000 1.023 1106 V HN 0.223 nan 8.190 nan 0.000 0.435 1107 V N 4.769 124.639 119.914 -0.074 0.000 2.393 1107 V HA 0.146 4.266 4.120 -0.000 0.000 0.257 1107 V C 0.455 176.517 176.094 -0.052 0.000 1.040 1107 V CA 0.321 62.589 62.300 -0.053 0.000 1.097 1107 V CB -1.017 30.788 31.823 -0.030 0.000 1.101 1107 V HN 0.746 nan 8.190 nan 0.000 0.479 1108 R N 5.594 126.064 120.500 -0.050 0.000 2.439 1108 R HA 0.602 4.942 4.340 -0.000 0.000 0.310 1108 R C 0.204 176.457 176.300 -0.078 0.000 0.955 1108 R CA -0.553 55.515 56.100 -0.053 0.000 0.853 1108 R CB 1.855 32.148 30.300 -0.012 0.000 1.171 1108 R HN 0.956 nan 8.270 nan 0.000 0.449 1109 E N 1.936 122.042 120.200 -0.156 0.000 4.501 1109 E HA -0.187 4.162 4.350 -0.000 0.000 0.213 1109 E C -1.665 174.844 176.600 -0.151 0.000 1.388 1109 E CA 0.156 56.466 56.400 -0.151 0.000 2.220 1109 E CB -1.183 28.486 29.700 -0.052 0.000 2.029 1109 E HN 0.702 nan 8.360 nan 0.000 0.523 1110 A N 0.142 122.913 122.820 -0.082 0.000 2.599 1110 A HA 0.611 4.930 4.320 -0.000 0.000 0.290 1110 A C -0.071 177.500 177.584 -0.021 0.000 1.101 1110 A CA 0.847 52.853 52.037 -0.051 0.000 0.674 1110 A CB 0.707 19.676 19.000 -0.052 0.000 1.277 1110 A HN 1.756 nan 8.150 nan 0.000 0.419 1111 D N -0.187 120.205 120.400 -0.013 0.000 3.267 1111 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 1111 D C 1.516 177.811 176.300 -0.009 0.000 1.236 1111 D CA 1.901 55.893 54.000 -0.013 0.000 0.604 1111 D CB -2.034 38.759 40.800 -0.011 0.000 0.989 1111 D HN 2.058 nan 8.370 nan 0.000 0.409 1112 C N -0.847 118.448 119.300 -0.009 0.000 3.354 1112 C HA 0.379 4.839 4.460 -0.000 0.000 0.287 1112 C C 1.966 176.954 174.990 -0.003 0.000 1.170 1112 C CA 0.929 59.944 59.018 -0.005 0.000 1.816 1112 C CB -0.532 27.204 27.740 -0.007 0.000 1.857 1112 C HN 1.680 nan 8.230 nan 0.000 0.395 1113 G N -0.789 108.008 108.800 -0.004 0.000 2.564 1113 G HA2 0.620 4.579 3.960 -0.000 0.000 0.282 1113 G HA3 0.620 4.579 3.960 -0.000 0.000 0.282 1113 G C 0.049 174.947 174.900 -0.004 0.000 1.469 1113 G CA 0.698 45.797 45.100 -0.002 0.000 1.185 1113 G HN 1.018 nan 8.290 nan 0.000 0.585 1114 T N 0.586 115.135 114.554 -0.007 0.000 2.893 1114 T HA 0.371 4.721 4.350 -0.000 0.000 0.208 1114 T C 2.117 176.815 174.700 -0.002 0.000 1.414 1114 T CA 3.722 65.817 62.100 -0.009 0.000 1.641 1114 T CB -1.209 67.652 68.868 -0.013 0.000 0.974 1114 T HN 2.357 nan 8.240 nan 0.000 0.361 1115 T N -1.157 113.396 114.554 -0.001 0.000 4.386 1115 T HA 0.245 4.595 4.350 -0.000 0.000 0.320 1115 T C 0.911 175.615 174.700 0.006 0.000 0.916 1115 T CA 2.405 64.507 62.100 0.004 0.000 2.028 1115 T CB -2.755 66.117 68.868 0.006 0.000 1.935 1115 T HN 2.419 nan 8.240 nan 0.000 0.894 1116 N N -2.242 116.460 118.700 0.003 0.000 2.710 1116 N HA 0.956 5.695 4.740 -0.000 0.000 0.257 1116 N C -0.629 174.882 175.510 0.003 0.000 1.140 1116 N CA 0.553 53.607 53.050 0.007 0.000 0.953 1116 N CB 0.408 38.901 38.487 0.010 0.000 1.664 1116 N HN 1.995 nan 8.380 nan 0.000 0.497 1117 Y N -0.603 119.701 120.300 0.007 0.000 2.896 1117 Y HA 0.890 5.440 4.550 -0.000 0.000 0.317 1117 Y C -1.581 174.326 175.900 0.012 0.000 1.444 1117 Y CA -1.060 57.042 58.100 0.004 0.000 1.084 1117 Y CB 0.789 39.250 38.460 0.001 0.000 1.382 1117 Y HN 0.903 nan 8.280 nan 0.000 0.471 1118 I N 0.891 121.468 120.570 0.012 0.000 2.563 1118 I HA 0.449 4.619 4.170 -0.000 0.000 0.285 1118 I C -0.359 175.770 176.117 0.021 0.000 1.123 1118 I CA -0.990 60.323 61.300 0.021 0.000 1.059 1118 I CB 1.906 39.920 38.000 0.024 0.000 1.229 1118 I HN 0.470 nan 8.210 nan 0.000 0.442 1119 S N 4.765 120.480 115.700 0.025 0.000 2.681 1119 S HA 0.326 4.796 4.470 -0.000 0.000 0.313 1119 S C 0.231 174.852 174.600 0.035 0.000 1.137 1119 S CA -0.477 57.738 58.200 0.026 0.000 1.045 1119 S CB -0.063 63.151 63.200 0.025 0.000 1.208 1119 S HN 0.354 nan 8.310 nan 0.000 0.523 1120 V N 7.716 127.651 119.914 0.035 0.000 2.557 1120 V HA 0.090 4.210 4.120 -0.000 0.000 0.301 1120 V C -1.610 174.510 176.094 0.042 0.000 1.026 1120 V CA -1.157 61.169 62.300 0.045 0.000 1.137 1120 V CB -0.279 31.571 31.823 0.046 0.000 0.917 1120 V HN 0.565 nan 8.190 nan 0.000 0.484 1121 P HA 0.216 nan 4.420 nan 0.000 0.280 1121 P C -0.210 177.109 177.300 0.033 0.000 1.244 1121 P CA -0.340 62.800 63.100 0.067 0.000 0.784 1121 P CB 1.639 33.385 31.700 0.076 0.000 0.913 1122 L N 2.449 123.686 121.223 0.024 0.000 2.693 1122 L HA 0.360 4.699 4.340 -0.000 0.000 0.235 1122 L C 0.266 176.960 176.870 -0.294 0.000 1.127 1122 L CA 0.497 55.250 54.840 -0.144 0.000 0.914 1122 L CB -0.543 41.383 42.059 -0.221 0.000 1.193 1122 L HN 0.273 nan 8.230 nan 0.000 0.502 1123 F N -0.736 119.204 119.950 -0.017 0.000 2.529 1123 F HA 0.650 5.177 4.527 -0.000 0.000 0.320 1123 F C 0.431 176.224 175.800 -0.012 0.000 1.118 1123 F CA -0.625 57.365 58.000 -0.016 0.000 0.915 1123 F CB 1.659 40.649 39.000 -0.016 0.000 1.161 1123 F HN -0.207 nan 8.300 nan 0.000 0.445 1124 Q N 2.568 122.464 119.800 0.160 0.000 2.587 1124 Q HA 0.585 4.925 4.340 -0.000 0.000 0.293 1124 Q C -1.299 174.747 176.000 0.078 0.000 1.083 1124 Q CA -0.886 54.971 55.803 0.090 0.000 0.792 1124 Q CB 3.497 32.259 28.738 0.041 0.000 1.484 1124 Q HN 0.786 nan 8.270 nan 0.000 0.446 1125 M N 0.964 120.593 119.600 0.050 0.000 2.572 1125 M HA 0.299 4.779 4.480 -0.000 0.000 0.299 1125 M C -1.382 174.932 176.300 0.023 0.000 1.205 1125 M CA -0.520 54.801 55.300 0.036 0.000 0.876 1125 M CB 2.088 34.704 32.600 0.026 0.000 1.728 1125 M HN 0.528 nan 8.290 nan 0.000 0.458 1126 D N 2.967 123.377 120.400 0.017 0.000 2.428 1126 D HA 0.131 4.771 4.640 -0.000 0.000 0.221 1126 D C 0.130 176.434 176.300 0.006 0.000 1.123 1126 D CA 0.038 54.044 54.000 0.011 0.000 0.869 1126 D CB 0.833 41.638 40.800 0.009 0.000 1.032 1126 D HN 0.710 nan 8.370 nan 0.000 0.506 1127 E N 1.694 121.897 120.200 0.004 0.000 2.333 1127 E HA -0.147 4.202 4.350 -0.000 0.000 0.200 1127 E C 1.869 178.467 176.600 -0.003 0.000 1.010 1127 E CA 0.576 56.975 56.400 -0.002 0.000 0.841 1127 E CB 0.393 30.091 29.700 -0.004 0.000 0.757 1127 E HN 0.417 nan 8.360 nan 0.000 0.508 1128 V N 0.693 120.606 119.914 -0.001 0.000 2.214 1128 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 1128 V C 1.338 177.430 176.094 -0.003 0.000 1.045 1128 V CA 1.913 64.212 62.300 -0.002 0.000 0.993 1128 V CB -0.255 31.568 31.823 0.000 0.000 0.633 1128 V HN 0.200 nan 8.190 nan 0.000 0.449 1129 T N 0.942 115.495 114.554 -0.001 0.000 3.331 1129 T HA 0.377 4.727 4.350 -0.000 0.000 0.381 1129 T C -0.228 174.471 174.700 -0.002 0.000 1.656 1129 T CA -0.614 61.485 62.100 -0.002 0.000 1.453 1129 T CB 0.064 68.931 68.868 -0.002 0.000 1.066 1129 T HN 0.306 nan 8.240 nan 0.000 0.655 1130 R N 1.704 122.201 120.500 -0.004 0.000 4.623 1130 R HA -0.033 4.307 4.340 -0.000 0.000 0.127 1130 R C -0.115 176.182 176.300 -0.004 0.000 0.246 1130 R CA 0.549 56.646 56.100 -0.005 0.000 0.862 1130 R CB -1.454 28.840 30.300 -0.010 0.000 1.016 1130 R HN 0.378 nan 8.270 nan 0.000 0.252 1131 T N 3.160 117.715 114.554 0.002 0.000 3.829 1131 T HA 0.208 4.558 4.350 -0.000 0.000 0.332 1131 T C 0.085 174.796 174.700 0.019 0.000 0.845 1131 T CA -0.840 61.262 62.100 0.004 0.000 1.010 1131 T CB 0.545 69.416 68.868 0.005 0.000 1.051 1131 T HN 0.270 nan 8.240 nan 0.000 0.465 1132 L N 2.255 123.489 121.223 0.019 0.000 2.517 1132 L HA 0.373 4.713 4.340 -0.000 0.000 0.294 1132 L C 0.686 177.615 176.870 0.099 0.000 1.264 1132 L CA 0.177 55.051 54.840 0.056 0.000 0.839 1132 L CB 0.193 42.268 42.059 0.027 0.000 1.098 1132 L HN 0.492 nan 8.230 nan 0.000 0.525 1133 R N 0.966 121.560 120.500 0.157 0.000 2.774 1133 R HA 0.511 4.851 4.340 -0.000 0.000 0.272 1133 R C -1.566 174.831 176.300 0.162 0.000 1.000 1133 R CA -0.715 55.468 56.100 0.139 0.000 0.906 1133 R CB 1.057 31.393 30.300 0.059 0.000 1.227 1133 R HN 0.460 nan 8.270 nan 0.000 0.468 1134 L N 3.551 124.805 121.223 0.053 0.000 2.456 1134 L HA 0.410 4.750 4.340 -0.000 0.000 0.277 1134 L C 0.903 177.686 176.870 -0.144 0.000 1.124 1134 L CA -0.388 54.348 54.840 -0.173 0.000 0.880 1134 L CB 0.182 42.151 42.059 -0.151 0.000 1.192 1134 L HN 0.544 nan 8.230 nan 0.000 0.463 1135 R N 3.329 123.720 120.500 -0.181 0.000 2.740 1135 R HA -0.028 4.312 4.340 -0.000 0.000 0.263 1135 R C 0.203 176.439 176.300 -0.107 0.000 0.997 1135 R CA -0.013 56.022 56.100 -0.109 0.000 1.108 1135 R CB 0.542 30.776 30.300 -0.109 0.000 0.969 1135 R HN 0.626 nan 8.270 nan 0.000 0.431 1136 K N 2.746 123.101 120.400 -0.075 0.000 2.401 1136 K HA 0.036 4.356 4.320 -0.000 0.000 0.278 1136 K C -0.439 176.120 176.600 -0.069 0.000 1.018 1136 K CA -0.288 55.959 56.287 -0.067 0.000 0.981 1136 K CB 0.466 32.936 32.500 -0.050 0.000 0.933 1136 K HN 0.412 nan 8.250 nan 0.000 0.477 1137 R N 1.816 122.273 120.500 -0.071 0.000 4.219 1137 R HA -0.063 4.276 4.340 -0.000 0.000 0.159 1137 R C 0.348 176.624 176.300 -0.039 0.000 1.934 1137 R CA 0.366 56.425 56.100 -0.068 0.000 1.395 1137 R CB -0.846 29.402 30.300 -0.086 0.000 1.320 1137 R HN 0.858 nan 8.270 nan 0.000 0.765 1138 S N -0.636 115.048 115.700 -0.027 0.000 6.091 1138 S HA -0.061 4.409 4.470 -0.000 0.000 0.111 1138 S C 0.522 175.121 174.600 -0.001 0.000 1.151 1138 S CA 0.063 58.261 58.200 -0.003 0.000 1.412 1138 S CB -0.126 63.066 63.200 -0.014 0.000 2.012 1138 S HN 0.375 nan 8.310 nan 0.000 0.574 1139 D N 2.524 122.902 120.400 -0.037 0.000 2.149 1139 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 1139 D C 1.914 178.201 176.300 -0.023 0.000 1.001 1139 D CA 1.800 55.756 54.000 -0.073 0.000 0.849 1139 D CB -0.618 40.108 40.800 -0.123 0.000 0.939 1139 D HN 0.541 nan 8.370 nan 0.000 0.449 1140 I N 1.123 121.680 120.570 -0.021 0.000 2.091 1140 I HA -0.299 3.870 4.170 -0.000 0.000 0.239 1140 I C 2.677 178.821 176.117 0.045 0.000 1.061 1140 I CA 1.568 62.866 61.300 -0.003 0.000 1.317 1140 I CB -0.431 37.549 38.000 -0.034 0.000 1.031 1140 I HN 0.009 nan 8.210 nan 0.000 0.401 1141 E N 0.468 120.704 120.200 0.060 0.000 2.160 1141 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 1141 E C 2.200 178.881 176.600 0.135 0.000 0.991 1141 E CA 1.405 57.868 56.400 0.106 0.000 0.810 1141 E CB 0.030 29.807 29.700 0.128 0.000 0.742 1141 E HN 0.304 nan 8.360 nan 0.000 0.466 1142 S N -1.329 114.442 115.700 0.119 0.000 2.489 1142 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 1142 S C 1.436 176.251 174.600 0.359 0.000 0.995 1142 S CA 0.862 59.169 58.200 0.177 0.000 0.934 1142 S CB 0.191 63.462 63.200 0.117 0.000 0.771 1142 S HN 0.446 nan 8.310 nan 0.000 0.522 1143 G N -0.423 108.536 108.800 0.265 0.000 3.044 1143 G HA2 0.293 4.253 3.960 -0.000 0.000 0.223 1143 G HA3 0.293 4.253 3.960 -0.000 0.000 0.223 1143 G C 1.000 175.960 174.900 0.100 0.000 1.123 1143 G CA -0.070 45.190 45.100 0.266 0.000 0.765 1143 G HN 0.435 nan 8.290 nan 0.000 0.546 1144 L N -1.457 119.815 121.223 0.081 0.000 2.586 1144 L HA 0.326 4.666 4.340 -0.000 0.000 0.204 1144 L C 0.962 177.864 176.870 0.053 0.000 1.053 1144 L CA -0.541 54.323 54.840 0.040 0.000 0.856 1144 L CB -0.220 41.851 42.059 0.020 0.000 1.192 1144 L HN 0.175 nan 8.230 nan 0.000 0.484 1145 Y N 2.585 122.825 120.300 -0.099 0.000 2.910 1145 Y HA -0.039 4.511 4.550 -0.000 0.000 0.358 1145 Y C 1.200 176.946 175.900 -0.257 0.000 1.293 1145 Y CA 0.618 58.612 58.100 -0.177 0.000 1.630 1145 Y CB 0.151 38.535 38.460 -0.128 0.000 1.178 1145 Y HN 0.412 nan 8.280 nan 0.000 0.550 1146 G N 4.460 113.300 108.800 0.066 0.000 2.175 1146 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 1146 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 1146 G C 0.227 175.133 174.900 0.009 0.000 0.982 1146 G CA -0.225 44.767 45.100 -0.179 0.000 0.641 1146 G HN 0.569 nan 8.290 nan 0.000 0.527 1147 R N -0.420 120.069 120.500 -0.017 0.000 2.649 1147 R HA 0.613 4.953 4.340 -0.000 0.000 0.270 1147 R C -0.099 176.180 176.300 -0.034 0.000 1.105 1147 R CA -0.531 55.557 56.100 -0.021 0.000 1.193 1147 R CB 0.947 31.227 30.300 -0.033 0.000 1.120 1147 R HN 0.244 nan 8.270 nan 0.000 0.561 1148 V N 3.192 123.027 119.914 -0.131 0.000 2.349 1148 V HA 0.213 4.333 4.120 -0.000 0.000 0.284 1148 V C 0.362 176.375 176.094 -0.136 0.000 1.014 1148 V CA -0.588 61.556 62.300 -0.260 0.000 0.826 1148 V CB 1.349 32.877 31.823 -0.491 0.000 1.009 1148 V HN 0.485 nan 8.190 nan 0.000 0.431 1149 L N 4.144 125.318 121.223 -0.081 0.000 2.573 1149 L HA 0.070 4.409 4.340 -0.000 0.000 0.290 1149 L C 1.153 177.996 176.870 -0.045 0.000 1.247 1149 L CA 0.614 55.429 54.840 -0.042 0.000 0.876 1149 L CB 0.689 42.742 42.059 -0.011 0.000 1.123 1149 L HN 0.752 nan 8.230 nan 0.000 0.505 1150 A N 5.166 127.970 122.820 -0.028 0.000 2.637 1150 A HA 0.409 4.729 4.320 -0.000 0.000 0.293 1150 A C 0.367 177.945 177.584 -0.009 0.000 1.216 1150 A CA -0.201 51.823 52.037 -0.022 0.000 0.956 1150 A CB 0.144 19.131 19.000 -0.021 0.000 1.174 1150 A HN 0.777 nan 8.150 nan 0.000 0.525 1151 R N 1.101 121.599 120.500 -0.004 0.000 5.523 1151 R HA 0.030 4.370 4.340 -0.000 0.000 0.269 1151 R C -1.128 175.178 176.300 0.011 0.000 0.936 1151 R CA -0.219 55.883 56.100 0.004 0.000 1.517 1151 R CB 0.476 30.779 30.300 0.005 0.000 1.223 1151 R HN 0.736 nan 8.270 nan 0.000 0.672 1152 E N 2.330 122.540 120.200 0.016 0.000 2.812 1152 E HA -0.081 4.269 4.350 -0.000 0.000 0.276 1152 E C -0.790 175.828 176.600 0.029 0.000 0.946 1152 E CA 0.281 56.697 56.400 0.026 0.000 0.971 1152 E CB 0.579 30.295 29.700 0.027 0.000 0.960 1152 E HN 0.112 nan 8.360 nan 0.000 0.479 1153 V N 3.870 123.810 119.914 0.043 0.000 2.315 1153 V HA 0.092 4.212 4.120 -0.000 0.000 0.265 1153 V C -0.745 175.393 176.094 0.072 0.000 1.019 1153 V CA -0.650 61.675 62.300 0.042 0.000 0.824 1153 V CB 0.503 32.343 31.823 0.027 0.000 1.072 1153 V HN 0.632 nan 8.190 nan 0.000 0.448 1154 E N 2.671 122.910 120.200 0.066 0.000 2.373 1154 E HA 0.845 5.194 4.350 -0.000 0.000 0.263 1154 E C 0.224 176.876 176.600 0.086 0.000 1.073 1154 E CA 0.001 56.454 56.400 0.090 0.000 0.894 1154 E CB 1.412 31.151 29.700 0.064 0.000 1.008 1154 E HN 0.840 nan 8.360 nan 0.000 0.420 1155 A N 0.902 123.803 122.820 0.135 0.000 2.440 1155 A HA 0.247 4.566 4.320 -0.000 0.000 0.298 1155 A C -0.586 177.142 177.584 0.239 0.000 0.955 1155 A CA -0.754 51.350 52.037 0.111 0.000 0.581 1155 A CB -0.178 18.824 19.000 0.003 0.000 1.424 1155 A HN 0.785 nan 8.150 nan 0.000 0.484 1156 L N 0.276 121.605 121.223 0.176 0.000 4.290 1156 L HA -0.189 4.150 4.340 -0.000 0.000 0.486 1156 L C 1.428 178.478 176.870 0.300 0.000 1.070 1156 L CA 1.998 56.989 54.840 0.251 0.000 0.688 1156 L CB -0.958 41.287 42.059 0.309 0.000 1.627 1156 L HN 2.875 nan 8.230 nan 0.000 0.782 1157 G N -1.056 107.849 108.800 0.174 0.000 3.586 1157 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.212 1157 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.212 1157 G C 0.160 175.103 174.900 0.072 0.000 1.411 1157 G CA 0.060 45.214 45.100 0.091 0.000 0.898 1157 G HN 0.382 nan 8.290 nan 0.000 0.575 1158 R N 1.282 121.831 120.500 0.080 0.000 2.528 1158 R HA 0.731 5.071 4.340 -0.000 0.000 0.271 1158 R C 0.248 176.638 176.300 0.151 0.000 1.056 1158 R CA -0.481 55.642 56.100 0.039 0.000 1.117 1158 R CB 0.424 30.626 30.300 -0.163 0.000 1.085 1158 R HN 0.558 nan 8.270 nan 0.000 0.530 1159 R N 1.763 122.318 120.500 0.093 0.000 2.439 1159 R HA 0.409 4.748 4.340 -0.000 0.000 0.310 1159 R C -0.490 175.863 176.300 0.088 0.000 0.955 1159 R CA -0.630 55.526 56.100 0.094 0.000 0.853 1159 R CB 1.269 31.605 30.300 0.059 0.000 1.171 1159 R HN 0.364 nan 8.270 nan 0.000 0.449 1160 L N 4.362 125.649 121.223 0.107 0.000 2.288 1160 L HA 0.225 4.565 4.340 -0.000 0.000 0.283 1160 L C 0.588 177.494 176.870 0.061 0.000 1.072 1160 L CA -0.639 54.256 54.840 0.091 0.000 0.862 1160 L CB 0.325 42.455 42.059 0.118 0.000 1.245 1160 L HN 0.539 nan 8.230 nan 0.000 0.432 1161 E N 1.952 122.182 120.200 0.050 0.000 2.537 1161 E HA -0.083 4.267 4.350 -0.000 0.000 0.269 1161 E C -0.096 176.523 176.600 0.032 0.000 1.038 1161 E CA -0.140 56.283 56.400 0.039 0.000 0.977 1161 E CB 0.818 30.540 29.700 0.038 0.000 0.973 1161 E HN 0.472 nan 8.360 nan 0.000 0.456 1162 E N 0.458 120.671 120.200 0.021 0.000 2.383 1162 E HA 0.092 4.442 4.350 -0.000 0.000 0.264 1162 E C 0.926 177.524 176.600 -0.003 0.000 1.050 1162 E CA 0.892 57.296 56.400 0.007 0.000 0.896 1162 E CB 0.767 30.470 29.700 0.003 0.000 0.982 1162 E HN 0.769 nan 8.360 nan 0.000 0.424 1163 G N 4.191 112.973 108.800 -0.031 0.000 2.347 1163 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.247 1163 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.247 1163 G C 0.621 175.469 174.900 -0.087 0.000 1.037 1163 G CA 0.555 45.613 45.100 -0.071 0.000 0.622 1163 G HN 0.644 nan 8.290 nan 0.000 0.521 1164 R N 0.140 120.643 120.500 0.006 0.000 2.817 1164 R HA 0.300 4.639 4.340 -0.000 0.000 0.264 1164 R C -0.563 175.798 176.300 0.102 0.000 1.009 1164 R CA 0.101 56.259 56.100 0.098 0.000 1.133 1164 R CB -0.012 30.348 30.300 0.099 0.000 1.013 1164 R HN 0.261 nan 8.270 nan 0.000 0.453 1165 Y N 4.162 124.502 120.300 0.066 0.000 2.335 1165 Y HA 0.213 4.763 4.550 -0.000 0.000 0.339 1165 Y C 0.071 175.953 175.900 -0.031 0.000 0.987 1165 Y CA -1.016 57.116 58.100 0.052 0.000 1.140 1165 Y CB 1.452 40.040 38.460 0.213 0.000 1.173 1165 Y HN 0.238 nan 8.280 nan 0.000 0.486 1166 L N 1.126 122.371 121.223 0.037 0.000 2.319 1166 L HA 0.538 4.878 4.340 -0.000 0.000 0.280 1166 L C 0.087 176.789 176.870 -0.279 0.000 1.099 1166 L CA -0.248 54.550 54.840 -0.069 0.000 0.828 1166 L CB 0.531 42.560 42.059 -0.050 0.000 1.150 1166 L HN 0.497 nan 8.230 nan 0.000 0.442 1167 S N 2.172 117.706 115.700 -0.277 0.000 2.681 1167 S HA 0.263 4.733 4.470 -0.000 0.000 0.270 1167 S C 1.149 175.389 174.600 -0.599 0.000 1.209 1167 S CA -0.653 57.260 58.200 -0.478 0.000 0.988 1167 S CB 1.545 64.623 63.200 -0.204 0.000 1.006 1167 S HN 0.711 nan 8.310 nan 0.000 0.558 1168 L N 1.311 122.031 121.223 -0.839 0.000 2.263 1168 L HA -0.100 4.240 4.340 -0.000 0.000 0.216 1168 L C 1.983 178.358 176.870 -0.824 0.000 1.111 1168 L CA 1.842 56.202 54.840 -0.800 0.000 0.773 1168 L CB -0.558 41.090 42.059 -0.685 0.000 0.906 1168 L HN 0.744 nan 8.230 nan 0.000 0.439 1169 E N -0.361 119.563 120.200 -0.460 0.000 2.072 1169 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 1169 E C 1.756 178.283 176.600 -0.121 0.000 0.982 1169 E CA 1.557 57.804 56.400 -0.254 0.000 0.803 1169 E CB -0.116 29.521 29.700 -0.105 0.000 0.755 1169 E HN 0.578 nan 8.360 nan 0.000 0.453 1170 D N -0.408 119.927 120.400 -0.108 0.000 2.120 1170 D HA -0.086 4.553 4.640 -0.000 0.000 0.202 1170 D C 1.923 178.248 176.300 0.041 0.000 0.972 1170 D CA 1.054 55.079 54.000 0.041 0.000 0.837 1170 D CB -0.288 40.526 40.800 0.024 0.000 0.989 1170 D HN 0.087 nan 8.370 nan 0.000 0.469 1171 V N 1.228 121.088 119.914 -0.090 0.000 2.944 1171 V HA -0.236 3.884 4.120 -0.000 0.000 0.265 1171 V C 1.842 177.992 176.094 0.093 0.000 1.125 1171 V CA 1.556 63.831 62.300 -0.041 0.000 1.145 1171 V CB -0.854 30.915 31.823 -0.090 0.000 0.725 1171 V HN 0.335 nan 8.190 nan 0.000 0.510 1172 H N -1.997 117.069 119.070 -0.006 0.000 2.337 1172 H HA -0.029 4.527 4.556 -0.000 0.000 0.311 1172 H C 2.125 177.486 175.328 0.056 0.000 1.054 1172 H CA 1.041 57.093 56.048 0.006 0.000 1.385 1172 H CB -0.065 29.702 29.762 0.008 0.000 1.437 1172 H HN 0.397 nan 8.280 nan 0.000 0.553 1173 F N 2.325 122.330 119.950 0.092 0.000 2.063 1173 F HA -0.310 4.217 4.527 -0.000 0.000 0.298 1173 F C 2.047 177.858 175.800 0.019 0.000 1.105 1173 F CA 1.503 59.525 58.000 0.037 0.000 1.215 1173 F CB -0.954 38.056 39.000 0.017 0.000 0.972 1173 F HN 0.020 nan 8.300 nan 0.000 0.483 1174 L N -0.052 121.021 121.223 -0.251 0.000 2.013 1174 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 1174 L C 2.693 179.417 176.870 -0.243 0.000 1.073 1174 L CA 1.767 56.383 54.840 -0.374 0.000 0.753 1174 L CB -0.721 41.231 42.059 -0.178 0.000 0.890 1174 L HN 0.236 nan 8.230 nan 0.000 0.432 1175 I N -0.483 120.016 120.570 -0.118 0.000 2.264 1175 I HA -0.327 3.843 4.170 -0.000 0.000 0.248 1175 I C 2.452 178.493 176.117 -0.127 0.000 1.111 1175 I CA 1.473 62.702 61.300 -0.118 0.000 1.382 1175 I CB -0.186 37.775 38.000 -0.065 0.000 1.060 1175 I HN 0.270 nan 8.210 nan 0.000 0.418 1176 K N 0.341 120.689 120.400 -0.087 0.000 2.186 1176 K HA 0.021 4.340 4.320 -0.000 0.000 0.202 1176 K C 2.178 178.728 176.600 -0.083 0.000 1.052 1176 K CA 0.978 57.236 56.287 -0.048 0.000 0.965 1176 K CB -0.030 32.499 32.500 0.049 0.000 0.746 1176 K HN 0.244 nan 8.250 nan 0.000 0.457 1177 A N 1.304 123.987 122.820 -0.228 0.000 1.969 1177 A HA -0.050 4.269 4.320 -0.000 0.000 0.218 1177 A C 2.191 179.699 177.584 -0.128 0.000 1.169 1177 A CA 1.641 53.526 52.037 -0.252 0.000 0.635 1177 A CB -0.413 18.221 19.000 -0.609 0.000 0.810 1177 A HN 0.292 nan 8.150 nan 0.000 0.445 1178 A N -0.679 122.060 122.820 -0.136 0.000 2.235 1178 A HA 0.048 4.368 4.320 -0.000 0.000 0.208 1178 A C 1.726 179.306 177.584 -0.007 0.000 1.172 1178 A CA 1.099 53.104 52.037 -0.053 0.000 0.786 1178 A CB -0.264 18.627 19.000 -0.183 0.000 0.804 1178 A HN 0.644 nan 8.150 nan 0.000 0.479 1179 E N -0.551 119.628 120.200 -0.034 0.000 2.162 1179 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 1179 E C 2.173 178.796 176.600 0.038 0.000 0.953 1179 E CA 0.582 56.983 56.400 0.002 0.000 0.849 1179 E CB -0.128 29.555 29.700 -0.029 0.000 0.810 1179 E HN 0.521 nan 8.360 nan 0.000 0.470 1180 A N 1.107 123.941 122.820 0.022 0.000 2.125 1180 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 1180 A C 1.438 179.048 177.584 0.043 0.000 1.156 1180 A CA 1.180 53.236 52.037 0.033 0.000 0.671 1180 A CB -0.644 18.376 19.000 0.034 0.000 0.794 1180 A HN 0.323 nan 8.150 nan 0.000 0.459 1181 G N -1.100 107.738 108.800 0.063 0.000 2.734 1181 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.277 1181 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.277 1181 G C -0.030 174.898 174.900 0.047 0.000 1.099 1181 G CA 0.447 45.596 45.100 0.082 0.000 1.218 1181 G HN 0.535 nan 8.290 nan 0.000 0.554 1182 E N -1.473 118.752 120.200 0.041 0.000 2.653 1182 E HA 0.397 4.747 4.350 -0.000 0.000 0.218 1182 E C 0.297 176.904 176.600 0.012 0.000 0.911 1182 E CA 0.543 56.952 56.400 0.015 0.000 1.355 1182 E CB 1.221 30.921 29.700 -0.001 0.000 1.314 1182 E HN 0.607 nan 8.360 nan 0.000 0.686 1183 V N 0.108 120.045 119.914 0.038 0.000 3.048 1183 V HA 0.425 4.545 4.120 -0.000 0.000 0.303 1183 V C 0.122 176.311 176.094 0.160 0.000 1.214 1183 V CA -0.847 61.480 62.300 0.046 0.000 0.984 1183 V CB 2.061 33.870 31.823 -0.023 0.000 1.054 1183 V HN 0.006 nan 8.190 nan 0.000 0.430 1184 R N 0.160 120.753 120.500 0.155 0.000 2.470 1184 R HA 0.364 4.704 4.340 -0.000 0.000 0.210 1184 R C 0.010 176.421 176.300 0.185 0.000 0.873 1184 R CA -0.020 56.257 56.100 0.295 0.000 1.015 1184 R CB 1.274 31.675 30.300 0.168 0.000 1.348 1184 R HN 0.769 nan 8.270 nan 0.000 0.650 1185 E N 0.856 121.111 120.200 0.091 0.000 2.281 1185 E HA 0.461 4.811 4.350 -0.000 0.000 0.262 1185 E C -1.177 175.442 176.600 0.032 0.000 0.933 1185 E CA -0.823 55.613 56.400 0.060 0.000 0.809 1185 E CB 3.135 32.861 29.700 0.045 0.000 1.242 1185 E HN -0.234 nan 8.360 nan 0.000 0.418 1186 V N 2.663 122.590 119.914 0.021 0.000 2.482 1186 V HA 0.255 4.374 4.120 -0.000 0.000 0.295 1186 V C -2.358 173.740 176.094 0.007 0.000 1.026 1186 V CA -1.756 60.548 62.300 0.006 0.000 0.856 1186 V CB 1.711 33.532 31.823 -0.005 0.000 1.001 1186 V HN 0.560 nan 8.190 nan 0.000 0.424 1187 P HA 0.151 nan 4.420 nan 0.000 0.263 1187 P C -0.638 176.658 177.300 -0.006 0.000 1.601 1187 P CA 0.328 63.429 63.100 0.002 0.000 1.161 1187 P CB 1.192 32.893 31.700 0.003 0.000 1.730 1188 V N 5.507 125.416 119.914 -0.007 0.000 2.588 1188 V HA 0.318 4.438 4.120 -0.000 0.000 0.304 1188 V C 0.478 176.559 176.094 -0.022 0.000 1.042 1188 V CA -1.031 61.257 62.300 -0.020 0.000 0.877 1188 V CB 2.423 34.235 31.823 -0.017 0.000 0.996 1188 V HN 0.351 nan 8.190 nan 0.000 0.425 1189 R N 3.441 123.918 120.500 -0.038 0.000 2.296 1189 R HA 0.429 4.769 4.340 -0.000 0.000 0.323 1189 R C -0.009 176.273 176.300 -0.030 0.000 1.067 1189 R CA 0.088 56.168 56.100 -0.034 0.000 0.946 1189 R CB 1.074 31.343 30.300 -0.050 0.000 0.991 1189 R HN 0.695 nan 8.270 nan 0.000 0.448 1190 S N 2.941 118.633 115.700 -0.014 0.000 2.634 1190 S HA 0.423 4.892 4.470 -0.000 0.000 0.296 1190 S C -2.061 172.544 174.600 0.009 0.000 1.104 1190 S CA -1.797 56.398 58.200 -0.009 0.000 0.920 1190 S CB 2.032 65.224 63.200 -0.014 0.000 1.111 1190 S HN 0.182 nan 8.310 nan 0.000 0.493 1191 P HA -0.048 nan 4.420 nan 0.000 0.217 1191 P C 1.486 178.799 177.300 0.022 0.000 1.148 1191 P CA 0.999 64.120 63.100 0.035 0.000 0.828 1191 P CB -0.025 31.711 31.700 0.061 0.000 0.783 1192 L N -1.694 119.542 121.223 0.022 0.000 2.263 1192 L HA -0.146 4.194 4.340 -0.000 0.000 0.216 1192 L C 1.326 178.209 176.870 0.022 0.000 1.111 1192 L CA 1.632 56.488 54.840 0.025 0.000 0.773 1192 L CB -1.026 41.052 42.059 0.031 0.000 0.906 1192 L HN 0.113 nan 8.230 nan 0.000 0.439 1193 T N -1.095 113.469 114.554 0.016 0.000 3.514 1193 T HA 0.246 4.596 4.350 -0.000 0.000 0.259 1193 T C -0.712 173.992 174.700 0.007 0.000 1.466 1193 T CA -0.407 61.702 62.100 0.014 0.000 1.562 1193 T CB -0.230 68.647 68.868 0.016 0.000 0.924 1193 T HN 0.134 nan 8.240 nan 0.000 0.678 1194 C N 1.998 121.298 119.300 0.001 0.000 2.563 1194 C HA 0.766 5.226 4.460 -0.000 0.000 0.314 1194 C C 1.741 176.721 174.990 -0.017 0.000 1.199 1194 C CA 0.032 59.047 59.018 -0.005 0.000 1.564 1194 C CB 1.234 28.973 27.740 -0.002 0.000 2.173 1194 C HN 0.868 nan 8.230 nan 0.000 0.485 1195 Q N 1.409 121.200 119.800 -0.016 0.000 2.508 1195 Q HA 0.014 4.354 4.340 -0.000 0.000 0.214 1195 Q C 0.689 176.665 176.000 -0.039 0.000 0.979 1195 Q CA 1.668 57.457 55.803 -0.024 0.000 0.911 1195 Q CB -0.679 28.049 28.738 -0.015 0.000 0.969 1195 Q HN 0.860 nan 8.270 nan 0.000 0.504 1196 T N -0.224 114.308 114.554 -0.037 0.000 3.053 1196 T HA 0.567 4.917 4.350 -0.000 0.000 0.363 1196 T C 1.209 175.875 174.700 -0.056 0.000 1.239 1196 T CA -0.067 62.008 62.100 -0.040 0.000 1.071 1196 T CB 1.058 69.916 68.868 -0.016 0.000 1.089 1196 T HN 0.635 nan 8.240 nan 0.000 0.527 1197 R N 1.864 122.294 120.500 -0.117 0.000 2.280 1197 R HA -0.062 4.278 4.340 -0.000 0.000 0.209 1197 R C 1.610 177.871 176.300 -0.065 0.000 1.059 1197 R CA 2.002 58.003 56.100 -0.165 0.000 0.847 1197 R CB -2.047 28.035 30.300 -0.363 0.000 0.763 1197 R HN 0.831 nan 8.270 nan 0.000 0.452 1198 Y N 0.536 120.783 120.300 -0.089 0.000 2.096 1198 Y HA -0.196 4.354 4.550 -0.000 0.000 0.276 1198 Y C 1.964 177.816 175.900 -0.080 0.000 1.209 1198 Y CA 0.327 58.371 58.100 -0.093 0.000 1.137 1198 Y CB -0.517 37.902 38.460 -0.068 0.000 0.956 1198 Y HN 0.605 nan 8.280 nan 0.000 0.506 1199 G N 0.309 109.173 108.800 0.106 0.000 2.546 1199 G HA2 0.472 4.432 3.960 -0.000 0.000 0.320 1199 G HA3 0.472 4.432 3.960 -0.000 0.000 0.320 1199 G C -0.159 174.743 174.900 0.004 0.000 0.984 1199 G CA 0.033 45.157 45.100 0.040 0.000 1.183 1199 G HN 0.386 nan 8.290 nan 0.000 0.443 1200 V N 2.615 122.520 119.914 -0.014 0.000 3.233 1200 V HA 0.115 4.235 4.120 -0.000 0.000 0.290 1200 V C 1.706 177.787 176.094 -0.022 0.000 1.275 1200 V CA 0.151 62.434 62.300 -0.030 0.000 1.375 1200 V CB -0.214 31.573 31.823 -0.060 0.000 0.980 1200 V HN 0.892 nan 8.190 nan 0.000 0.521 1201 C N 2.932 122.226 119.300 -0.009 0.000 2.779 1201 C HA 0.592 5.052 4.460 -0.000 0.000 0.334 1201 C C 0.822 175.816 174.990 0.006 0.000 1.406 1201 C CA 0.736 59.756 59.018 0.004 0.000 2.281 1201 C CB 0.422 28.176 27.740 0.024 0.000 2.437 1201 C HN 1.897 nan 8.230 nan 0.000 0.748 1202 Q N 1.449 121.255 119.800 0.010 0.000 3.605 1202 Q HA 0.491 4.831 4.340 -0.000 0.000 0.222 1202 Q C -0.084 175.932 176.000 0.028 0.000 0.915 1202 Q CA -0.170 55.637 55.803 0.006 0.000 0.731 1202 Q CB 0.093 28.801 28.738 -0.050 0.000 1.423 1202 Q HN 0.903 nan 8.270 nan 0.000 0.446 1203 K N -0.631 119.820 120.400 0.086 0.000 2.758 1203 K HA -0.091 4.229 4.320 -0.000 0.000 0.193 1203 K C -0.117 176.505 176.600 0.036 0.000 1.338 1203 K CA 0.670 57.014 56.287 0.095 0.000 0.625 1203 K CB -1.820 30.718 32.500 0.063 0.000 2.545 1203 K HN 0.665 nan 8.250 nan 0.000 0.592 1204 C N -0.479 118.861 119.300 0.066 0.000 3.449 1204 C HA 0.116 4.576 4.460 -0.000 0.000 0.404 1204 C C 1.586 176.615 174.990 0.065 0.000 1.383 1204 C CA -0.079 58.955 59.018 0.026 0.000 1.936 1204 C CB -0.221 27.534 27.740 0.025 0.000 2.738 1204 C HN 0.610 nan 8.230 nan 0.000 0.663 1205 Y N 2.402 122.704 120.300 0.004 0.000 2.502 1205 Y HA 0.375 4.925 4.550 -0.000 0.000 0.295 1205 Y C 1.430 177.370 175.900 0.067 0.000 1.193 1205 Y CA -0.138 57.962 58.100 -0.001 0.000 1.295 1205 Y CB -0.789 37.667 38.460 -0.007 0.000 1.059 1205 Y HN 0.271 nan 8.280 nan 0.000 0.514 1206 G N 0.857 109.708 108.800 0.085 0.000 2.884 1206 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.247 1206 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.247 1206 G C -0.708 174.377 174.900 0.307 0.000 0.585 1206 G CA 0.831 46.087 45.100 0.261 0.000 1.101 1206 G HN 0.661 nan 8.290 nan 0.000 0.283 1207 Y N -0.084 120.350 120.300 0.224 0.000 2.642 1207 Y HA -0.261 4.289 4.550 -0.000 0.000 0.036 1207 Y C 1.540 177.431 175.900 -0.016 0.000 1.839 1207 Y CA 0.786 58.920 58.100 0.058 0.000 1.317 1207 Y CB -0.149 38.373 38.460 0.103 0.000 1.971 1207 Y HN 0.934 nan 8.280 nan 0.000 0.275 1208 D N 3.376 123.808 120.400 0.053 0.000 2.239 1208 D HA -0.216 4.424 4.640 -0.000 0.000 0.202 1208 D C 1.892 178.256 176.300 0.107 0.000 0.993 1208 D CA 2.137 56.207 54.000 0.117 0.000 0.874 1208 D CB 0.111 40.948 40.800 0.061 0.000 0.922 1208 D HN 0.718 nan 8.370 nan 0.000 0.464 1209 L N -0.485 120.795 121.223 0.095 0.000 5.081 1209 L HA -0.290 4.050 4.340 -0.000 0.000 0.423 1209 L C 1.204 178.079 176.870 0.008 0.000 1.019 1209 L CA 1.916 56.778 54.840 0.036 0.000 1.223 1209 L CB -2.157 39.855 42.059 -0.079 0.000 1.940 1209 L HN 0.235 nan 8.230 nan 0.000 0.675 1210 S N -2.376 113.343 115.700 0.031 0.000 2.628 1210 S HA 0.353 4.823 4.470 -0.000 0.000 0.246 1210 S C 1.128 175.715 174.600 -0.022 0.000 1.062 1210 S CA 0.208 58.405 58.200 -0.005 0.000 1.028 1210 S CB 0.074 63.308 63.200 0.056 0.000 0.985 1210 S HN 0.384 nan 8.310 nan 0.000 0.551 1211 M N 1.490 121.117 119.600 0.044 0.000 2.347 1211 M HA 0.488 4.968 4.480 -0.000 0.000 0.302 1211 M C 0.669 177.072 176.300 0.172 0.000 1.051 1211 M CA 0.337 55.745 55.300 0.181 0.000 0.988 1211 M CB 0.995 33.672 32.600 0.129 0.000 1.475 1211 M HN 0.413 nan 8.290 nan 0.000 0.530 1212 A N 2.584 125.431 122.820 0.044 0.000 2.560 1212 A HA -0.220 4.100 4.320 -0.000 0.000 0.299 1212 A C 0.294 177.683 177.584 -0.324 0.000 1.484 1212 A CA 1.756 53.855 52.037 0.104 0.000 0.749 1212 A CB -1.561 17.561 19.000 0.204 0.000 1.072 1212 A HN 0.784 nan 8.150 nan 0.000 0.426 1213 R N -0.660 119.404 120.500 -0.727 0.000 2.829 1213 R HA 0.789 5.129 4.340 -0.000 0.000 0.267 1213 R C -3.373 172.390 176.300 -0.895 0.000 1.051 1213 R CA -1.028 54.583 56.100 -0.815 0.000 0.927 1213 R CB 1.374 31.482 30.300 -0.320 0.000 1.292 1213 R HN 0.144 nan 8.270 nan 0.000 0.445 1214 P HA 0.124 nan 4.420 nan 0.000 0.284 1214 P C -0.349 176.916 177.300 -0.059 0.000 1.253 1214 P CA -0.375 62.533 63.100 -0.319 0.000 0.800 1214 P CB 1.348 32.858 31.700 -0.318 0.000 0.961 1215 V N 2.371 122.338 119.914 0.089 0.000 2.621 1215 V HA -0.116 4.004 4.120 -0.000 0.000 0.300 1215 V C 1.479 177.634 176.094 0.103 0.000 1.031 1215 V CA 0.922 63.314 62.300 0.153 0.000 1.210 1215 V CB -0.817 31.186 31.823 0.299 0.000 0.864 1215 V HN 0.682 nan 8.190 nan 0.000 0.477 1216 S N 6.078 121.828 115.700 0.082 0.000 2.576 1216 S HA 0.336 4.806 4.470 -0.000 0.000 0.276 1216 S C 0.071 174.704 174.600 0.054 0.000 1.339 1216 S CA -0.890 57.351 58.200 0.069 0.000 1.039 1216 S CB 0.272 63.520 63.200 0.081 0.000 0.902 1216 S HN 0.468 nan 8.310 nan 0.000 0.516 1217 I N 3.411 123.994 120.570 0.022 0.000 2.648 1217 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 1217 I C 1.681 177.841 176.117 0.071 0.000 1.153 1217 I CA 1.314 62.593 61.300 -0.034 0.000 1.426 1217 I CB -0.043 37.800 38.000 -0.261 0.000 1.381 1217 I HN 1.048 nan 8.210 nan 0.000 0.571 1218 G N 5.198 114.023 108.800 0.041 0.000 2.176 1218 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.232 1218 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.232 1218 G C 0.266 175.182 174.900 0.025 0.000 0.986 1218 G CA -0.081 45.050 45.100 0.051 0.000 0.643 1218 G HN 0.621 nan 8.290 nan 0.000 0.522 1219 E N 1.339 121.548 120.200 0.015 0.000 1.985 1219 E HA 0.585 4.935 4.350 -0.000 0.000 0.268 1219 E C 1.079 177.650 176.600 -0.048 0.000 1.219 1219 E CA 0.484 56.886 56.400 0.003 0.000 0.942 1219 E CB 0.051 29.764 29.700 0.022 0.000 1.045 1219 E HN 0.884 nan 8.360 nan 0.000 0.413 1220 A N 5.118 127.920 122.820 -0.031 0.000 3.029 1220 A HA 0.016 4.335 4.320 -0.000 0.000 0.256 1220 A C 1.460 179.002 177.584 -0.071 0.000 1.913 1220 A CA 0.078 52.090 52.037 -0.041 0.000 1.493 1220 A CB -0.782 18.206 19.000 -0.020 0.000 0.918 1220 A HN 0.584 nan 8.150 nan 0.000 0.616 1221 V N 1.381 121.196 119.914 -0.164 0.000 2.317 1221 V HA -0.358 3.762 4.120 -0.000 0.000 0.251 1221 V C 2.911 178.929 176.094 -0.127 0.000 1.065 1221 V CA 2.350 64.487 62.300 -0.272 0.000 1.049 1221 V CB -1.548 29.861 31.823 -0.690 0.000 0.651 1221 V HN 0.779 nan 8.190 nan 0.000 0.450 1222 G N 0.452 109.199 108.800 -0.088 0.000 2.802 1222 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.222 1222 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.222 1222 G C 1.505 176.414 174.900 0.014 0.000 1.248 1222 G CA 1.994 47.082 45.100 -0.021 0.000 0.787 1222 G HN 0.480 nan 8.290 nan 0.000 0.643 1223 V N 0.424 120.354 119.914 0.026 0.000 3.041 1223 V HA -0.025 4.095 4.120 -0.000 0.000 0.260 1223 V C 2.543 178.646 176.094 0.014 0.000 1.105 1223 V CA 1.059 63.370 62.300 0.018 0.000 1.125 1223 V CB 0.161 31.984 31.823 0.001 0.000 0.730 1223 V HN 0.242 nan 8.190 nan 0.000 0.479 1224 V N 0.198 120.123 119.914 0.018 0.000 3.630 1224 V HA 0.216 4.336 4.120 -0.000 0.000 0.273 1224 V C 1.918 178.060 176.094 0.080 0.000 1.248 1224 V CA 1.263 63.592 62.300 0.048 0.000 1.170 1224 V CB -0.494 31.371 31.823 0.069 0.000 0.899 1224 V HN 0.526 nan 8.190 nan 0.000 0.457 1225 A N -0.592 122.269 122.820 0.070 0.000 2.211 1225 A HA 0.604 4.924 4.320 -0.000 0.000 0.208 1225 A C 2.075 179.679 177.584 0.034 0.000 1.250 1225 A CA 0.944 53.068 52.037 0.145 0.000 0.935 1225 A CB 0.070 19.179 19.000 0.181 0.000 0.982 1225 A HN 0.427 nan 8.150 nan 0.000 0.490 1226 A N 0.493 123.317 122.820 0.007 0.000 1.871 1226 A HA 0.040 4.360 4.320 -0.000 0.000 0.211 1226 A C 1.759 179.343 177.584 -0.001 0.000 1.207 1226 A CA 1.269 53.299 52.037 -0.012 0.000 0.620 1226 A CB -0.499 18.494 19.000 -0.012 0.000 0.860 1226 A HN 0.465 nan 8.150 nan 0.000 0.450 1227 E N 0.274 120.475 120.200 0.002 0.000 2.048 1227 E HA -0.204 4.146 4.350 -0.000 0.000 0.202 1227 E C 2.289 178.887 176.600 -0.003 0.000 1.021 1227 E CA 1.619 58.033 56.400 0.023 0.000 0.825 1227 E CB -0.354 29.374 29.700 0.047 0.000 0.756 1227 E HN 0.510 nan 8.360 nan 0.000 0.454 1228 S N 0.865 116.507 115.700 -0.096 0.000 2.378 1228 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 1228 S C 2.008 176.541 174.600 -0.111 0.000 1.052 1228 S CA 1.441 59.507 58.200 -0.225 0.000 1.084 1228 S CB -0.350 62.457 63.200 -0.655 0.000 0.950 1228 S HN 0.235 nan 8.310 nan 0.000 0.440 1229 I N 0.624 121.189 120.570 -0.010 0.000 2.830 1229 I HA -0.035 4.135 4.170 -0.000 0.000 0.263 1229 I C 2.229 178.466 176.117 0.199 0.000 1.230 1229 I CA 0.856 62.271 61.300 0.192 0.000 1.480 1229 I CB -0.406 37.771 38.000 0.295 0.000 1.095 1229 I HN 0.343 nan 8.210 nan 0.000 0.455 1230 G N -0.265 108.593 108.800 0.096 0.000 2.833 1230 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.210 1230 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.210 1230 G C 1.432 176.362 174.900 0.049 0.000 1.139 1230 G CA -0.141 45.016 45.100 0.095 0.000 0.771 1230 G HN 0.279 nan 8.290 nan 0.000 0.535 1231 E N 1.298 121.514 120.200 0.028 0.000 2.008 1231 E HA -0.046 4.303 4.350 -0.000 0.000 0.191 1231 E C -0.443 176.122 176.600 -0.058 0.000 0.986 1231 E CA 0.710 57.134 56.400 0.040 0.000 0.807 1231 E CB -0.387 29.377 29.700 0.107 0.000 0.766 1231 E HN 0.202 nan 8.360 nan 0.000 0.450 1232 P HA -0.090 nan 4.420 nan 0.000 0.224 1232 P C 0.872 177.970 177.300 -0.337 0.000 1.142 1232 P CA 1.476 64.396 63.100 -0.300 0.000 0.778 1232 P CB -0.367 31.049 31.700 -0.474 0.000 0.764 1233 G N -1.463 107.227 108.800 -0.183 0.000 2.776 1233 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.209 1233 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.209 1233 G C 0.807 175.707 174.900 -0.001 0.000 1.145 1233 G CA 0.470 45.554 45.100 -0.028 0.000 0.791 1233 G HN 0.205 nan 8.290 nan 0.000 0.530 1234 T N 0.285 114.820 114.554 -0.031 0.000 3.251 1234 T HA 0.234 4.584 4.350 -0.000 0.000 0.259 1234 T C 0.777 175.467 174.700 -0.016 0.000 0.998 1234 T CA 0.016 62.114 62.100 -0.003 0.000 0.905 1234 T CB 0.093 68.964 68.868 0.006 0.000 1.067 1234 T HN 0.368 nan 8.240 nan 0.000 0.569 1235 Q N 1.420 121.199 119.800 -0.035 0.000 2.409 1235 Q HA 0.379 4.718 4.340 -0.000 0.000 0.345 1235 Q C -1.018 174.979 176.000 -0.006 0.000 0.847 1235 Q CA -0.118 55.667 55.803 -0.031 0.000 1.092 1235 Q CB 0.927 29.625 28.738 -0.065 0.000 1.377 1235 Q HN 0.384 nan 8.270 nan 0.000 0.399 1236 L N 0.256 121.492 121.223 0.022 0.000 2.436 1236 L HA 0.515 4.855 4.340 -0.000 0.000 0.268 1236 L C 0.188 177.079 176.870 0.035 0.000 0.974 1236 L CA -0.955 53.912 54.840 0.046 0.000 0.826 1236 L CB 2.025 44.139 42.059 0.091 0.000 1.291 1236 L HN 0.029 nan 8.230 nan 0.000 0.406 1237 T N 1.726 116.298 114.554 0.028 0.000 2.854 1237 T HA -0.029 4.321 4.350 -0.000 0.000 0.336 1237 T C 0.630 175.346 174.700 0.027 0.000 1.095 1237 T CA 0.461 62.575 62.100 0.024 0.000 1.118 1237 T CB 0.635 69.514 68.868 0.018 0.000 1.025 1237 T HN 0.613 nan 8.240 nan 0.000 0.549 1238 M N 0.506 120.123 119.600 0.028 0.000 2.289 1238 M HA 0.314 4.794 4.480 -0.000 0.000 0.335 1238 M C 0.618 176.937 176.300 0.033 0.000 0.961 1238 M CA 0.125 55.446 55.300 0.035 0.000 1.018 1238 M CB 0.087 32.714 32.600 0.045 0.000 1.678 1238 M HN 0.543 nan 8.290 nan 0.000 0.589 1239 R N 0.270 120.786 120.500 0.026 0.000 2.668 1239 R HA 0.903 5.243 4.340 -0.000 0.000 0.279 1239 R C 0.167 176.478 176.300 0.019 0.000 0.976 1239 R CA 0.130 56.245 56.100 0.024 0.000 0.978 1239 R CB -0.725 29.588 30.300 0.022 0.000 1.133 1239 R HN 0.497 nan 8.270 nan 0.000 0.484 1250 T N 1.890 116.447 114.554 0.004 0.000 3.767 1250 T HA 0.404 4.754 4.350 -0.000 0.000 0.360 1250 T C -1.497 173.204 174.700 0.002 0.000 1.181 1250 T CA -0.637 61.466 62.100 0.004 0.000 1.110 1250 T CB 1.846 70.717 68.868 0.006 0.000 1.201 1250 T HN 0.347 nan 8.240 nan 0.000 0.474 1251 D N 1.635 122.037 120.400 0.003 0.000 2.273 1251 D HA 0.275 4.915 4.640 -0.000 0.000 0.247 1251 D C 1.931 178.230 176.300 -0.001 0.000 1.313 1251 D CA 0.005 54.006 54.000 0.001 0.000 0.974 1251 D CB 0.481 41.283 40.800 0.004 0.000 1.157 1251 D HN 0.704 nan 8.370 nan 0.000 0.533 1252 I N -1.654 118.914 120.570 -0.003 0.000 4.014 1252 I HA -0.382 3.788 4.170 -0.000 0.000 0.127 1252 I C 1.109 177.214 176.117 -0.020 0.000 0.414 1252 I CA 1.510 62.804 61.300 -0.009 0.000 1.230 1252 I CB -1.263 36.735 38.000 -0.003 0.000 1.086 1252 I HN 0.287 nan 8.210 nan 0.000 0.197 1253 T N 3.541 118.086 114.554 -0.015 0.000 3.565 1253 T HA 0.141 4.491 4.350 -0.000 0.000 0.248 1253 T C 0.249 174.933 174.700 -0.026 0.000 1.033 1253 T CA 0.691 62.778 62.100 -0.022 0.000 0.952 1253 T CB -0.317 68.547 68.868 -0.008 0.000 1.072 1253 T HN 0.407 nan 8.240 nan 0.000 0.609 1254 Q N -0.103 119.682 119.800 -0.026 0.000 2.345 1254 Q HA 0.540 4.879 4.340 -0.000 0.000 0.275 1254 Q C 0.420 176.409 176.000 -0.019 0.000 1.063 1254 Q CA -0.841 54.950 55.803 -0.019 0.000 0.819 1254 Q CB 2.530 31.263 28.738 -0.007 0.000 1.356 1254 Q HN 0.349 nan 8.270 nan 0.000 0.418 1255 G N 0.793 109.588 108.800 -0.008 0.000 2.682 1255 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 1255 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 1255 G C 0.354 175.252 174.900 -0.004 0.000 1.333 1255 G CA 0.146 45.251 45.100 0.008 0.000 0.904 1255 G HN 0.618 nan 8.290 nan 0.000 0.569 1256 L N 1.441 122.677 121.223 0.022 0.000 2.079 1256 L HA 0.053 4.393 4.340 -0.000 0.000 0.210 1256 L C 0.410 177.253 176.870 -0.045 0.000 1.081 1256 L CA 3.174 58.022 54.840 0.013 0.000 0.752 1256 L CB -1.319 40.763 42.059 0.038 0.000 0.896 1256 L HN 0.443 nan 8.230 nan 0.000 0.433 1257 P HA -0.186 nan 4.420 nan 0.000 0.219 1257 P C 1.496 178.754 177.300 -0.070 0.000 1.146 1257 P CA 1.467 64.541 63.100 -0.043 0.000 0.808 1257 P CB -0.053 31.642 31.700 -0.009 0.000 0.779 1258 R N -0.203 120.247 120.500 -0.083 0.000 2.055 1258 R HA -0.055 4.285 4.340 -0.000 0.000 0.226 1258 R C 1.829 178.011 176.300 -0.198 0.000 1.135 1258 R CA 1.159 57.188 56.100 -0.117 0.000 0.959 1258 R CB -0.900 29.332 30.300 -0.112 0.000 0.854 1258 R HN -0.084 nan 8.270 nan 0.000 0.431 1259 V N 1.681 121.447 119.914 -0.246 0.000 2.636 1259 V HA -0.287 3.833 4.120 -0.000 0.000 0.258 1259 V C 2.308 178.199 176.094 -0.339 0.000 1.092 1259 V CA 1.317 63.368 62.300 -0.414 0.000 1.110 1259 V CB -0.625 30.986 31.823 -0.353 0.000 0.685 1259 V HN 0.372 nan 8.190 nan 0.000 0.481 1260 I N -0.039 120.420 120.570 -0.186 0.000 2.270 1260 I HA -0.113 4.057 4.170 -0.000 0.000 0.239 1260 I C 2.599 178.668 176.117 -0.080 0.000 1.080 1260 I CA 1.633 62.854 61.300 -0.132 0.000 1.383 1260 I CB -0.867 36.977 38.000 -0.259 0.000 1.097 1260 I HN 0.440 nan 8.210 nan 0.000 0.420 1261 E N 0.714 120.862 120.200 -0.088 0.000 2.169 1261 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 1261 E C 2.153 178.719 176.600 -0.057 0.000 1.016 1261 E CA 1.695 58.065 56.400 -0.050 0.000 0.817 1261 E CB 0.060 29.730 29.700 -0.049 0.000 0.736 1261 E HN 0.243 nan 8.360 nan 0.000 0.462 1262 L N -0.389 120.755 121.223 -0.132 0.000 2.022 1262 L HA -0.023 4.316 4.340 -0.000 0.000 0.204 1262 L C 2.223 179.064 176.870 -0.048 0.000 1.076 1262 L CA 1.570 56.313 54.840 -0.162 0.000 0.749 1262 L CB -0.906 40.951 42.059 -0.335 0.000 0.903 1262 L HN 0.216 nan 8.230 nan 0.000 0.439 1263 F N -0.311 119.580 119.950 -0.098 0.000 2.184 1263 F HA -0.313 4.214 4.527 -0.000 0.000 0.301 1263 F C 2.478 178.251 175.800 -0.044 0.000 1.076 1263 F CA 0.956 58.915 58.000 -0.069 0.000 1.295 1263 F CB 0.082 39.042 39.000 -0.066 0.000 1.026 1263 F HN 0.211 nan 8.300 nan 0.000 0.494 1264 E N 0.176 120.463 120.200 0.144 0.000 2.166 1264 E HA 0.231 4.581 4.350 -0.000 0.000 0.192 1264 E C 0.161 176.788 176.600 0.046 0.000 0.967 1264 E CA 0.818 57.270 56.400 0.086 0.000 0.840 1264 E CB 0.199 29.944 29.700 0.074 0.000 0.795 1264 E HN 0.189 nan 8.360 nan 0.000 0.470 1265 A N 0.120 122.947 122.820 0.012 0.000 2.406 1265 A HA -0.115 4.205 4.320 -0.000 0.000 0.675 1265 A C -0.197 177.394 177.584 0.011 0.000 0.167 1265 A CA 1.127 53.143 52.037 -0.035 0.000 0.098 1265 A CB -1.077 17.852 19.000 -0.119 0.000 3.910 1265 A HN 0.223 nan 8.150 nan 0.000 0.539 1266 R N -0.183 120.328 120.500 0.019 0.000 2.826 1266 R HA 0.649 4.989 4.340 -0.000 0.000 0.269 1266 R C -0.030 176.304 176.300 0.057 0.000 1.031 1266 R CA -0.737 55.400 56.100 0.061 0.000 0.900 1266 R CB 0.867 31.197 30.300 0.051 0.000 1.318 1266 R HN 0.779 nan 8.270 nan 0.000 0.447 1267 R N 2.001 122.537 120.500 0.059 0.000 4.048 1267 R HA 0.218 4.558 4.340 -0.000 0.000 0.290 1267 R C -1.643 174.677 176.300 0.032 0.000 1.519 1267 R CA -1.489 54.639 56.100 0.047 0.000 1.446 1267 R CB -0.341 29.987 30.300 0.047 0.000 1.455 1267 R HN 0.374 nan 8.270 nan 0.000 0.706 1268 P HA -0.261 nan 4.420 nan 0.000 0.223 1268 P C 0.182 177.493 177.300 0.017 0.000 1.212 1268 P CA 0.844 63.956 63.100 0.020 0.000 0.901 1268 P CB 0.469 32.178 31.700 0.015 0.000 0.588 1269 K N -0.806 119.602 120.400 0.014 0.000 2.102 1269 K HA 0.080 4.400 4.320 -0.000 0.000 0.206 1269 K C 2.114 178.722 176.600 0.012 0.000 1.031 1269 K CA 0.715 57.010 56.287 0.012 0.000 0.962 1269 K CB -0.620 31.886 32.500 0.009 0.000 0.811 1269 K HN 0.292 nan 8.250 nan 0.000 0.453 1270 A N 1.011 123.839 122.820 0.013 0.000 2.021 1270 A HA -0.113 4.207 4.320 -0.000 0.000 0.206 1270 A C 1.549 179.142 177.584 0.015 0.000 1.210 1270 A CA 3.949 55.994 52.037 0.013 0.000 0.733 1270 A CB -1.203 17.806 19.000 0.015 0.000 0.839 1270 A HN 0.659 nan 8.150 nan 0.000 0.495 1271 K N -3.716 116.694 120.400 0.017 0.000 3.223 1271 K HA 0.272 4.592 4.320 -0.000 0.000 0.249 1271 K C 0.867 177.479 176.600 0.020 0.000 1.358 1271 K CA 1.341 57.639 56.287 0.018 0.000 0.826 1271 K CB -2.813 29.696 32.500 0.015 0.000 1.868 1271 K HN 2.441 nan 8.250 nan 0.000 0.533 1272 A N 1.178 124.007 122.820 0.015 0.000 2.320 1272 A HA 0.355 4.675 4.320 -0.000 0.000 0.309 1272 A C 1.031 178.629 177.584 0.023 0.000 1.019 1272 A CA 0.800 52.844 52.037 0.012 0.000 1.241 1272 A CB -1.444 17.554 19.000 -0.004 0.000 0.775 1272 A HN 1.717 nan 8.150 nan 0.000 0.411 1273 V N 2.562 122.509 119.914 0.054 0.000 2.953 1273 V HA 0.141 4.261 4.120 -0.000 0.000 0.304 1273 V C 0.347 176.501 176.094 0.100 0.000 1.138 1273 V CA 0.546 62.915 62.300 0.114 0.000 1.266 1273 V CB -0.395 31.576 31.823 0.247 0.000 0.923 1273 V HN 0.816 nan 8.190 nan 0.000 0.505 1274 I N 1.216 121.868 120.570 0.137 0.000 2.439 1274 I HA 0.456 4.626 4.170 -0.000 0.000 0.283 1274 I C 0.179 176.382 176.117 0.144 0.000 1.023 1274 I CA -0.976 60.372 61.300 0.080 0.000 1.100 1274 I CB 1.064 39.076 38.000 0.020 0.000 1.238 1274 I HN 0.516 nan 8.210 nan 0.000 0.445 1275 S N 3.897 119.626 115.700 0.049 0.000 2.931 1275 S HA -0.061 4.408 4.470 -0.000 0.000 0.342 1275 S C 1.135 175.808 174.600 0.122 0.000 1.220 1275 S CA 0.340 58.570 58.200 0.049 0.000 1.045 1275 S CB 0.141 63.303 63.200 -0.062 0.000 0.758 1275 S HN 0.732 nan 8.310 nan 0.000 0.508 1276 E N 3.854 124.175 120.200 0.200 0.000 2.435 1276 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 1276 E C 0.241 176.900 176.600 0.099 0.000 1.029 1276 E CA 0.438 56.906 56.400 0.113 0.000 0.865 1276 E CB 0.143 29.889 29.700 0.076 0.000 0.833 1276 E HN 0.644 nan 8.360 nan 0.000 0.510 1277 I N 1.191 121.838 120.570 0.128 0.000 2.982 1277 I HA 0.081 4.251 4.170 -0.000 0.000 0.312 1277 I C 0.561 176.738 176.117 0.101 0.000 1.041 1277 I CA -0.813 60.581 61.300 0.157 0.000 1.053 1277 I CB 1.466 39.615 38.000 0.249 0.000 1.248 1277 I HN -0.131 nan 8.210 nan 0.000 0.471 1278 D N 2.171 122.627 120.400 0.092 0.000 2.328 1278 D HA 0.089 4.728 4.640 -0.000 0.000 0.221 1278 D C 1.029 177.354 176.300 0.042 0.000 1.072 1278 D CA -0.014 54.015 54.000 0.049 0.000 0.850 1278 D CB -0.201 40.620 40.800 0.036 0.000 0.922 1278 D HN 0.692 nan 8.370 nan 0.000 0.516 1279 G N 1.001 109.845 108.800 0.074 0.000 2.173 1279 G HA2 0.095 4.055 3.960 -0.000 0.000 0.761 1279 G HA3 0.095 4.055 3.960 -0.000 0.000 0.761 1279 G C 0.242 175.159 174.900 0.028 0.000 1.256 1279 G CA 0.255 45.393 45.100 0.064 0.000 1.314 1279 G HN 0.150 nan 8.290 nan 0.000 0.726 1280 V N -2.039 117.893 119.914 0.029 0.000 3.158 1280 V HA 0.479 4.599 4.120 -0.000 0.000 0.311 1280 V C 1.302 177.403 176.094 0.011 0.000 1.181 1280 V CA -0.197 62.108 62.300 0.009 0.000 1.054 1280 V CB 1.243 33.066 31.823 -0.001 0.000 1.085 1280 V HN 0.930 nan 8.190 nan 0.000 0.446 1281 V N -0.425 119.488 119.914 -0.002 0.000 2.049 1281 V HA -0.316 3.804 4.120 -0.000 0.000 0.145 1281 V C 0.921 177.023 176.094 0.013 0.000 0.795 1281 V CA 1.786 64.085 62.300 -0.003 0.000 1.834 1281 V CB -1.191 30.626 31.823 -0.010 0.000 0.673 1281 V HN 1.285 nan 8.190 nan 0.000 0.453 1282 R N -0.671 119.839 120.500 0.016 0.000 1.150 1282 R HA -0.106 4.233 4.340 -0.000 0.000 0.414 1282 R C -1.013 175.352 176.300 0.108 0.000 1.364 1282 R CA 1.393 57.520 56.100 0.046 0.000 1.412 1282 R CB -0.642 29.706 30.300 0.080 0.000 3.826 1282 R HN 0.766 nan 8.270 nan 0.000 0.481 1283 I N 2.342 122.995 120.570 0.139 0.000 2.688 1283 I HA 0.141 4.311 4.170 -0.000 0.000 0.287 1283 I C -1.184 175.026 176.117 0.155 0.000 1.707 1283 I CA -0.611 60.791 61.300 0.171 0.000 1.043 1283 I CB 1.976 40.023 38.000 0.077 0.000 1.540 1283 I HN 0.477 nan 8.210 nan 0.000 0.463 1284 E N 5.405 125.740 120.200 0.224 0.000 2.316 1284 E HA 0.185 4.535 4.350 -0.000 0.000 0.254 1284 E C -0.950 175.728 176.600 0.130 0.000 0.902 1284 E CA -0.504 55.999 56.400 0.172 0.000 0.801 1284 E CB 2.398 32.255 29.700 0.262 0.000 1.270 1284 E HN 0.532 nan 8.360 nan 0.000 0.414 1285 E N 2.219 122.466 120.200 0.078 0.000 2.292 1285 E HA 0.283 4.633 4.350 -0.000 0.000 0.265 1285 E C -0.296 176.336 176.600 0.053 0.000 1.093 1285 E CA -0.089 56.346 56.400 0.057 0.000 0.922 1285 E CB 0.479 30.202 29.700 0.038 0.000 1.001 1285 E HN 0.533 nan 8.360 nan 0.000 0.444 1286 G N 2.604 111.434 108.800 0.050 0.000 2.420 1286 G HA2 0.366 4.326 3.960 -0.000 0.000 0.331 1286 G HA3 0.366 4.326 3.960 -0.000 0.000 0.331 1286 G C 0.718 175.636 174.900 0.029 0.000 1.168 1286 G CA 0.134 45.259 45.100 0.042 0.000 0.936 1286 G HN 0.669 nan 8.290 nan 0.000 0.479 1287 E N 0.425 120.638 120.200 0.023 0.000 2.169 1287 E HA -0.193 4.157 4.350 -0.000 0.000 0.202 1287 E C 1.078 177.687 176.600 0.015 0.000 1.016 1287 E CA 1.969 58.379 56.400 0.017 0.000 0.817 1287 E CB -0.243 29.466 29.700 0.014 0.000 0.736 1287 E HN 0.555 nan 8.360 nan 0.000 0.462 1288 D N -1.084 119.325 120.400 0.015 0.000 2.837 1288 D HA 0.182 4.822 4.640 -0.000 0.000 0.340 1288 D C -0.699 175.607 176.300 0.010 0.000 1.451 1288 D CA -0.184 53.822 54.000 0.011 0.000 0.798 1288 D CB 0.514 41.318 40.800 0.007 0.000 1.169 1288 D HN 0.023 nan 8.370 nan 0.000 0.449 1289 R N 1.189 121.699 120.500 0.016 0.000 2.912 1289 R HA 0.170 4.509 4.340 -0.000 0.000 0.278 1289 R C 0.445 176.761 176.300 0.027 0.000 1.533 1289 R CA -0.487 55.621 56.100 0.014 0.000 1.061 1289 R CB 0.624 30.933 30.300 0.014 0.000 1.313 1289 R HN -0.004 nan 8.270 nan 0.000 0.443 1290 L N 1.289 122.525 121.223 0.022 0.000 2.395 1290 L HA -0.038 4.302 4.340 -0.000 0.000 0.218 1290 L C 0.722 177.617 176.870 0.043 0.000 1.130 1290 L CA 1.141 56.003 54.840 0.037 0.000 0.826 1290 L CB -0.214 41.862 42.059 0.029 0.000 0.941 1290 L HN 0.756 nan 8.230 nan 0.000 0.451 1291 S N -0.937 114.761 115.700 -0.003 0.000 3.349 1291 S HA -0.187 4.283 4.470 -0.000 0.000 0.214 1291 S C 0.311 174.865 174.600 -0.077 0.000 0.578 1291 S CA -0.221 57.914 58.200 -0.108 0.000 1.380 1291 S CB -2.435 60.628 63.200 -0.228 0.000 0.888 1291 S HN 0.042 nan 8.310 nan 0.000 0.349 1292 V N 3.829 123.754 119.914 0.018 0.000 2.434 1292 V HA 0.183 4.303 4.120 -0.000 0.000 0.281 1292 V C 0.664 176.784 176.094 0.044 0.000 1.005 1292 V CA 0.158 62.490 62.300 0.053 0.000 1.089 1292 V CB -1.021 30.771 31.823 -0.052 0.000 0.978 1292 V HN 0.569 nan 8.190 nan 0.000 0.474 1293 F N 4.234 124.196 119.950 0.020 0.000 2.370 1293 F HA 0.622 5.149 4.527 -0.000 0.000 0.319 1293 F C 0.408 176.192 175.800 -0.027 0.000 1.129 1293 F CA -0.511 57.525 58.000 0.060 0.000 1.109 1293 F CB 1.123 40.164 39.000 0.067 0.000 1.262 1293 F HN 0.129 nan 8.300 nan 0.000 0.534 1294 V N 0.794 120.858 119.914 0.251 0.000 2.760 1294 V HA 0.516 4.636 4.120 -0.000 0.000 0.309 1294 V C -1.079 175.145 176.094 0.216 0.000 1.077 1294 V CA -0.740 61.638 62.300 0.130 0.000 0.910 1294 V CB 2.086 33.940 31.823 0.051 0.000 1.008 1294 V HN 0.833 nan 8.190 nan 0.000 0.424 1295 E N 2.835 123.132 120.200 0.161 0.000 2.422 1295 E HA 0.534 4.884 4.350 -0.000 0.000 0.289 1295 E C -1.334 175.316 176.600 0.083 0.000 0.985 1295 E CA -0.627 55.878 56.400 0.175 0.000 0.812 1295 E CB 1.842 31.632 29.700 0.150 0.000 1.226 1295 E HN 0.369 nan 8.360 nan 0.000 0.419 1296 S N 0.862 116.585 115.700 0.039 0.000 2.448 1296 S HA 0.116 4.586 4.470 -0.000 0.000 0.271 1296 S C 0.935 175.480 174.600 -0.092 0.000 1.145 1296 S CA 0.006 58.158 58.200 -0.080 0.000 1.022 1296 S CB 0.467 63.526 63.200 -0.236 0.000 1.202 1296 S HN 0.739 nan 8.310 nan 0.000 0.479 1297 E N -0.061 120.057 120.200 -0.136 0.000 2.452 1297 E HA 0.189 4.539 4.350 -0.000 0.000 0.197 1297 E C 1.396 177.912 176.600 -0.141 0.000 1.022 1297 E CA 0.410 56.749 56.400 -0.102 0.000 0.890 1297 E CB -0.261 29.387 29.700 -0.086 0.000 0.918 1297 E HN 0.587 nan 8.360 nan 0.000 0.496 1298 G N 0.879 109.505 108.800 -0.290 0.000 2.539 1298 G HA2 0.227 4.187 3.960 -0.000 0.000 0.215 1298 G HA3 0.227 4.187 3.960 -0.000 0.000 0.215 1298 G C 0.218 174.940 174.900 -0.297 0.000 1.141 1298 G CA 0.654 45.513 45.100 -0.402 0.000 0.806 1298 G HN 0.330 nan 8.290 nan 0.000 0.533 1299 F N -2.214 117.752 119.950 0.027 0.000 2.944 1299 F HA 0.713 5.240 4.527 -0.000 0.000 0.324 1299 F C -0.768 175.068 175.800 0.061 0.000 1.151 1299 F CA -2.213 55.812 58.000 0.040 0.000 0.883 1299 F CB 0.487 39.510 39.000 0.039 0.000 1.341 1299 F HN -0.155 nan 8.300 nan 0.000 0.456 1300 S N -0.014 115.933 115.700 0.413 0.000 2.759 1300 S HA 0.852 5.322 4.470 -0.000 0.000 0.310 1300 S C -1.460 173.296 174.600 0.261 0.000 1.123 1300 S CA -0.841 57.556 58.200 0.328 0.000 0.959 1300 S CB 2.129 65.503 63.200 0.290 0.000 1.172 1300 S HN 0.710 nan 8.310 nan 0.000 0.539 1301 K N 1.017 121.599 120.400 0.302 0.000 2.525 1301 K HA 0.398 4.718 4.320 -0.000 0.000 0.254 1301 K C -1.653 175.093 176.600 0.243 0.000 0.934 1301 K CA -0.203 56.226 56.287 0.237 0.000 0.802 1301 K CB 1.517 34.226 32.500 0.349 0.000 1.295 1301 K HN 0.585 nan 8.250 nan 0.000 0.433 1302 E N 2.224 122.415 120.200 -0.015 0.000 2.191 1302 E HA 0.341 4.690 4.350 -0.000 0.000 0.274 1302 E C -1.154 175.307 176.600 -0.233 0.000 0.948 1302 E CA -0.897 55.346 56.400 -0.262 0.000 0.802 1302 E CB 1.380 30.856 29.700 -0.373 0.000 1.137 1302 E HN 0.364 nan 8.360 nan 0.000 0.397 1303 Y N 2.308 122.419 120.300 -0.315 0.000 2.363 1303 Y HA 0.089 4.639 4.550 -0.000 0.000 0.325 1303 Y C -0.143 175.664 175.900 -0.155 0.000 0.984 1303 Y CA -1.481 56.512 58.100 -0.178 0.000 1.248 1303 Y CB 1.063 39.452 38.460 -0.119 0.000 1.116 1303 Y HN 0.248 nan 8.280 nan 0.000 0.470 1304 K N 3.557 123.900 120.400 -0.094 0.000 2.160 1304 K HA 0.082 4.402 4.320 -0.000 0.000 0.263 1304 K C -1.101 175.493 176.600 -0.010 0.000 1.120 1304 K CA 0.174 56.423 56.287 -0.063 0.000 1.115 1304 K CB 0.106 32.559 32.500 -0.078 0.000 0.971 1304 K HN 0.531 nan 8.250 nan 0.000 0.400 1305 L N 5.242 126.469 121.223 0.007 0.000 2.342 1305 L HA 0.515 4.855 4.340 -0.000 0.000 0.276 1305 L C -2.810 174.068 176.870 0.013 0.000 0.997 1305 L CA -1.983 52.871 54.840 0.024 0.000 0.838 1305 L CB 1.872 43.958 42.059 0.045 0.000 1.224 1305 L HN 0.394 nan 8.230 nan 0.000 0.416 1306 P HA 0.359 nan 4.420 nan 0.000 0.289 1306 P C -1.201 176.104 177.300 0.009 0.000 1.300 1306 P CA -0.889 62.215 63.100 0.007 0.000 0.828 1306 P CB 0.509 32.211 31.700 0.003 0.000 1.235 1307 K N -0.084 120.321 120.400 0.008 0.000 2.089 1307 K HA 0.185 4.504 4.320 -0.000 0.000 0.237 1307 K C 0.176 176.781 176.600 0.008 0.000 1.366 1307 K CA 1.151 57.443 56.287 0.008 0.000 1.409 1307 K CB -2.115 30.389 32.500 0.006 0.000 0.758 1307 K HN 0.623 nan 8.250 nan 0.000 0.488 1308 D N 0.583 120.989 120.400 0.009 0.000 2.736 1308 D HA 0.543 5.183 4.640 -0.000 0.000 0.223 1308 D C -0.536 175.768 176.300 0.007 0.000 1.231 1308 D CA -0.400 53.605 54.000 0.008 0.000 0.818 1308 D CB 1.299 42.106 40.800 0.011 0.000 1.587 1308 D HN 0.378 nan 8.370 nan 0.000 0.463 1309 A N 0.550 123.373 122.820 0.005 0.000 3.017 1309 A HA 0.528 4.848 4.320 -0.000 0.000 0.283 1309 A C 1.218 178.801 177.584 -0.001 0.000 1.892 1309 A CA 0.812 52.850 52.037 0.002 0.000 1.469 1309 A CB -1.433 17.568 19.000 0.001 0.000 0.999 1309 A HN 1.449 nan 8.150 nan 0.000 0.605 1310 R N 2.863 123.363 120.500 -0.000 0.000 3.235 1310 R HA 0.462 4.802 4.340 -0.000 0.000 0.232 1310 R C -0.165 176.129 176.300 -0.010 0.000 1.475 1310 R CA -0.518 55.578 56.100 -0.007 0.000 1.405 1310 R CB -0.937 29.363 30.300 -0.001 0.000 1.266 1310 R HN 0.595 nan 8.270 nan 0.000 0.650 1311 L N 3.103 124.318 121.223 -0.014 0.000 2.810 1311 L HA -0.066 4.274 4.340 -0.000 0.000 0.279 1311 L C 1.350 178.210 176.870 -0.016 0.000 1.144 1311 L CA 0.611 55.443 54.840 -0.014 0.000 0.998 1311 L CB -0.997 41.053 42.059 -0.016 0.000 1.342 1311 L HN 0.582 nan 8.230 nan 0.000 0.473 1312 L N 4.817 126.035 121.223 -0.009 0.000 2.368 1312 L HA 0.369 4.709 4.340 -0.000 0.000 0.162 1312 L C 1.563 178.426 176.870 -0.012 0.000 0.994 1312 L CA 0.658 55.494 54.840 -0.007 0.000 1.884 1312 L CB -0.632 41.426 42.059 -0.000 0.000 2.068 1312 L HN 0.540 nan 8.230 nan 0.000 0.543 1313 V N -2.698 117.211 119.914 -0.009 0.000 0.689 1313 V HA 0.174 4.294 4.120 -0.000 0.000 0.092 1313 V C -0.262 175.825 176.094 -0.012 0.000 0.794 1313 V CA 1.726 64.019 62.300 -0.011 0.000 3.101 1313 V CB -1.636 30.179 31.823 -0.015 0.000 0.198 1313 V HN 1.216 nan 8.190 nan 0.000 0.107 1314 K N -1.704 118.688 120.400 -0.015 0.000 3.417 1314 K HA 0.676 4.995 4.320 -0.000 0.000 0.375 1314 K C -0.182 176.408 176.600 -0.016 0.000 1.013 1314 K CA 1.062 57.340 56.287 -0.014 0.000 0.769 1314 K CB -0.756 31.736 32.500 -0.014 0.000 1.443 1314 K HN 2.775 nan 8.250 nan 0.000 0.474 1315 D N -0.573 119.818 120.400 -0.015 0.000 5.365 1315 D HA 0.038 4.678 4.640 -0.000 0.000 0.155 1315 D C 0.785 177.076 176.300 -0.015 0.000 1.460 1315 D CA 3.235 57.226 54.000 -0.015 0.000 1.169 1315 D CB -0.379 40.411 40.800 -0.016 0.000 0.774 1315 D HN 2.119 nan 8.370 nan 0.000 0.436 1316 G N 0.334 109.126 108.800 -0.013 0.000 3.087 1316 G HA2 0.358 4.318 3.960 -0.000 0.000 0.680 1316 G HA3 0.358 4.318 3.960 -0.000 0.000 0.680 1316 G C 0.035 174.926 174.900 -0.014 0.000 1.626 1316 G CA 0.662 45.755 45.100 -0.012 0.000 1.157 1316 G HN 1.555 nan 8.290 nan 0.000 0.599 1317 D N -2.265 118.128 120.400 -0.011 0.000 3.391 1317 D HA 0.585 5.225 4.640 -0.000 0.000 0.118 1317 D C 1.055 177.354 176.300 -0.002 0.000 0.838 1317 D CA 1.137 55.128 54.000 -0.016 0.000 1.987 1317 D CB -1.179 39.603 40.800 -0.031 0.000 0.979 1317 D HN 2.264 nan 8.370 nan 0.000 0.907 1318 Y N -0.895 119.404 120.300 -0.001 0.000 2.133 1318 Y HA 0.330 4.879 4.550 -0.000 0.000 0.287 1318 Y C 2.569 178.477 175.900 0.012 0.000 1.134 1318 Y CA 2.698 60.804 58.100 0.010 0.000 1.133 1318 Y CB 0.389 38.852 38.460 0.004 0.000 0.987 1318 Y HN 1.071 nan 8.280 nan 0.000 0.502 1319 V N -2.102 117.810 119.914 -0.004 0.000 3.236 1319 V HA 0.020 4.140 4.120 -0.000 0.000 0.254 1319 V C 1.258 177.333 176.094 -0.031 0.000 1.761 1319 V CA 0.293 62.589 62.300 -0.008 0.000 1.017 1319 V CB 0.102 31.918 31.823 -0.013 0.000 0.911 1319 V HN 0.651 nan 8.190 nan 0.000 0.374 1320 E N 2.266 122.445 120.200 -0.035 0.000 2.914 1320 E HA -0.423 3.927 4.350 -0.000 0.000 0.218 1320 E C 0.982 177.546 176.600 -0.059 0.000 0.897 1320 E CA 3.214 59.588 56.400 -0.044 0.000 1.465 1320 E CB -0.371 29.307 29.700 -0.038 0.000 1.468 1320 E HN 0.963 nan 8.360 nan 0.000 0.462 1321 A N -1.271 121.516 122.820 -0.055 0.000 3.076 1321 A HA 0.476 4.796 4.320 -0.000 0.000 0.192 1321 A C 0.879 178.431 177.584 -0.053 0.000 1.076 1321 A CA 0.742 52.746 52.037 -0.055 0.000 1.235 1321 A CB -0.129 18.840 19.000 -0.051 0.000 1.249 1321 A HN 0.953 nan 8.150 nan 0.000 0.622 1322 G N -0.069 108.694 108.800 -0.063 0.000 3.383 1322 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.227 1322 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.227 1322 G C 0.851 175.638 174.900 -0.189 0.000 1.570 1322 G CA 1.863 46.887 45.100 -0.127 0.000 1.585 1322 G HN 1.490 nan 8.290 nan 0.000 0.718 1323 Q N -2.308 117.433 119.800 -0.098 0.000 2.541 1323 Q HA -0.078 4.261 4.340 -0.000 0.000 0.169 1323 Q C -1.670 174.306 176.000 -0.039 0.000 0.606 1323 Q CA 1.361 57.119 55.803 -0.076 0.000 1.388 1323 Q CB -1.618 27.057 28.738 -0.104 0.000 0.813 1323 Q HN 0.610 nan 8.270 nan 0.000 1.139 1324 P HA 0.172 nan 4.420 nan 0.000 0.220 1324 P C 0.730 178.030 177.300 -0.001 0.000 1.115 1324 P CA 1.097 64.197 63.100 0.001 0.000 0.942 1324 P CB 0.060 31.774 31.700 0.023 0.000 0.888 1325 L N 0.773 121.993 121.223 -0.004 0.000 4.422 1325 L HA 0.033 4.373 4.340 -0.000 0.000 0.545 1325 L C 1.308 178.177 176.870 -0.002 0.000 1.042 1325 L CA 1.858 56.694 54.840 -0.006 0.000 0.533 1325 L CB -2.687 39.362 42.059 -0.017 0.000 0.674 1325 L HN 0.461 nan 8.230 nan 0.000 1.072 1326 T N 1.779 116.335 114.554 0.003 0.000 3.134 1326 T HA 0.498 4.847 4.350 -0.000 0.000 0.260 1326 T C 1.321 176.025 174.700 0.007 0.000 1.027 1326 T CA 0.922 63.025 62.100 0.005 0.000 0.913 1326 T CB -0.224 68.648 68.868 0.006 0.000 1.046 1326 T HN 2.348 nan 8.240 nan 0.000 0.553 1327 R N -1.028 119.476 120.500 0.007 0.000 3.203 1327 R HA -0.101 4.239 4.340 -0.000 0.000 0.495 1327 R C 0.291 176.610 176.300 0.031 0.000 0.723 1327 R CA 0.760 56.869 56.100 0.015 0.000 1.336 1327 R CB -2.072 28.238 30.300 0.016 0.000 2.046 1327 R HN 0.533 nan 8.270 nan 0.000 0.435 1328 G N 1.308 110.121 108.800 0.023 0.000 3.058 1328 G HA2 0.619 4.579 3.960 -0.000 0.000 0.316 1328 G HA3 0.619 4.579 3.960 -0.000 0.000 0.316 1328 G C 0.474 175.392 174.900 0.029 0.000 0.951 1328 G CA 0.077 45.199 45.100 0.037 0.000 1.535 1328 G HN 0.651 nan 8.290 nan 0.000 0.500 1329 A N 1.722 124.560 122.820 0.030 0.000 2.567 1329 A HA 0.384 4.704 4.320 -0.000 0.000 0.263 1329 A C 1.433 179.006 177.584 -0.019 0.000 1.030 1329 A CA 0.491 52.485 52.037 -0.072 0.000 0.833 1329 A CB -1.143 17.662 19.000 -0.324 0.000 0.924 1329 A HN 2.015 nan 8.150 nan 0.000 0.518 1330 I N 1.498 122.054 120.570 -0.024 0.000 3.160 1330 I HA 0.282 4.452 4.170 -0.000 0.000 0.311 1330 I C 1.003 177.130 176.117 0.017 0.000 1.218 1330 I CA 0.751 62.053 61.300 0.005 0.000 1.440 1330 I CB -1.347 36.658 38.000 0.009 0.000 1.310 1330 I HN 1.666 nan 8.210 nan 0.000 0.575 1331 D N 5.511 125.934 120.400 0.038 0.000 4.812 1331 D HA 0.137 4.777 4.640 -0.000 0.000 0.206 1331 D C -0.804 175.520 176.300 0.039 0.000 1.283 1331 D CA 0.180 54.213 54.000 0.055 0.000 0.795 1331 D CB -1.301 39.559 40.800 0.100 0.000 1.274 1331 D HN 0.849 nan 8.370 nan 0.000 0.710 1332 P HA -0.230 nan 4.420 nan 0.000 0.219 1332 P C 1.155 178.441 177.300 -0.024 0.000 1.147 1332 P CA 1.138 64.238 63.100 -0.000 0.000 0.821 1332 P CB 0.145 31.843 31.700 -0.003 0.000 0.771 1333 H N -1.271 117.828 119.070 0.048 0.000 2.457 1333 H HA -0.043 4.512 4.556 -0.000 0.000 0.294 1333 H C 1.946 177.289 175.328 0.025 0.000 1.064 1333 H CA 1.202 57.272 56.048 0.037 0.000 1.330 1333 H CB -0.192 29.586 29.762 0.026 0.000 1.395 1333 H HN 0.354 nan 8.280 nan 0.000 0.541 1334 Q N -0.111 119.766 119.800 0.129 0.000 2.062 1334 Q HA -0.070 4.269 4.340 -0.000 0.000 0.196 1334 Q C 2.450 178.475 176.000 0.041 0.000 0.967 1334 Q CA 0.801 56.644 55.803 0.067 0.000 0.832 1334 Q CB 0.004 28.768 28.738 0.043 0.000 0.899 1334 Q HN 0.228 nan 8.270 nan 0.000 0.442 1335 L N 0.779 122.013 121.223 0.018 0.000 1.989 1335 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 1335 L C 2.167 179.052 176.870 0.025 0.000 1.071 1335 L CA 1.376 56.211 54.840 -0.008 0.000 0.749 1335 L CB -0.655 41.368 42.059 -0.060 0.000 0.890 1335 L HN 0.266 nan 8.230 nan 0.000 0.431 1336 L N 0.191 121.445 121.223 0.051 0.000 1.990 1336 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 1336 L C 2.471 179.379 176.870 0.064 0.000 1.072 1336 L CA 2.437 57.318 54.840 0.069 0.000 0.755 1336 L CB -1.362 40.755 42.059 0.098 0.000 0.889 1336 L HN 0.541 nan 8.230 nan 0.000 0.432 1337 E N 0.549 120.791 120.200 0.070 0.000 2.169 1337 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 1337 E C 0.750 177.372 176.600 0.036 0.000 1.016 1337 E CA 1.597 58.029 56.400 0.052 0.000 0.817 1337 E CB -0.374 29.354 29.700 0.047 0.000 0.736 1337 E HN 0.603 nan 8.360 nan 0.000 0.462 1338 A N -0.788 122.052 122.820 0.032 0.000 3.105 1338 A HA 0.642 4.962 4.320 -0.000 0.000 0.336 1338 A C 0.229 177.826 177.584 0.023 0.000 1.042 1338 A CA -0.076 51.977 52.037 0.027 0.000 0.851 1338 A CB 0.296 19.311 19.000 0.026 0.000 1.068 1338 A HN 0.094 nan 8.150 nan 0.000 0.477 1339 K N -0.489 119.927 120.400 0.027 0.000 1.223 1339 K HA 0.171 4.491 4.320 -0.000 0.000 0.086 1339 K C 0.529 177.150 176.600 0.035 0.000 2.287 1339 K CA 1.645 57.947 56.287 0.025 0.000 0.941 1339 K CB -1.044 31.464 32.500 0.013 0.000 2.528 1339 K HN 2.226 nan 8.250 nan 0.000 0.317 1340 G N 0.532 109.358 108.800 0.043 0.000 2.681 1340 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.220 1340 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.220 1340 G C -2.199 172.741 174.900 0.068 0.000 1.353 1340 G CA -0.138 44.994 45.100 0.054 0.000 0.872 1340 G HN -0.013 nan 8.290 nan 0.000 0.557 1341 P HA 0.110 nan 4.420 nan 0.000 0.228 1341 P C 1.200 178.547 177.300 0.079 0.000 1.166 1341 P CA 1.351 64.503 63.100 0.086 0.000 0.812 1341 P CB 0.209 31.968 31.700 0.098 0.000 0.857 1342 E N 1.541 121.783 120.200 0.069 0.000 2.049 1342 E HA -0.182 4.167 4.350 -0.000 0.000 0.198 1342 E C 2.298 178.941 176.600 0.071 0.000 1.007 1342 E CA 2.004 58.442 56.400 0.063 0.000 0.809 1342 E CB -1.412 28.319 29.700 0.052 0.000 0.749 1342 E HN 0.203 nan 8.360 nan 0.000 0.450 1343 A N 0.893 123.755 122.820 0.070 0.000 1.821 1343 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 1343 A C 2.523 180.183 177.584 0.128 0.000 1.216 1343 A CA 1.703 53.790 52.037 0.083 0.000 0.615 1343 A CB -1.194 17.839 19.000 0.055 0.000 0.862 1343 A HN 0.110 nan 8.150 nan 0.000 0.450 1344 V N 0.365 120.354 119.914 0.126 0.000 2.265 1344 V HA -0.445 3.675 4.120 -0.000 0.000 0.259 1344 V C 2.454 178.633 176.094 0.142 0.000 1.084 1344 V CA 2.827 65.224 62.300 0.162 0.000 1.076 1344 V CB -1.204 30.684 31.823 0.108 0.000 0.680 1344 V HN 0.692 nan 8.190 nan 0.000 0.452 1345 E N -0.585 119.676 120.200 0.101 0.000 2.007 1345 E HA -0.302 4.048 4.350 -0.000 0.000 0.203 1345 E C 2.364 179.009 176.600 0.074 0.000 1.020 1345 E CA 1.675 58.122 56.400 0.078 0.000 0.845 1345 E CB -0.297 29.446 29.700 0.071 0.000 0.779 1345 E HN 0.296 nan 8.360 nan 0.000 0.466 1346 R N -0.084 120.468 120.500 0.088 0.000 2.303 1346 R HA -0.169 4.171 4.340 -0.000 0.000 0.225 1346 R C 1.830 178.196 176.300 0.109 0.000 1.114 1346 R CA 0.953 57.106 56.100 0.088 0.000 1.007 1346 R CB -0.396 29.957 30.300 0.089 0.000 0.861 1346 R HN 0.327 nan 8.270 nan 0.000 0.471 1347 Y N -1.220 119.091 120.300 0.018 0.000 2.347 1347 Y HA 0.073 4.623 4.550 -0.000 0.000 0.294 1347 Y C 1.323 177.216 175.900 -0.011 0.000 1.117 1347 Y CA 0.599 58.700 58.100 0.001 0.000 1.184 1347 Y CB -0.126 38.332 38.460 -0.005 0.000 1.047 1347 Y HN -0.018 nan 8.280 nan 0.000 0.546 1348 L N -0.665 120.419 121.223 -0.232 0.000 2.027 1348 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 1348 L C 2.442 179.160 176.870 -0.253 0.000 1.074 1348 L CA 1.345 56.010 54.840 -0.292 0.000 0.745 1348 L CB -1.300 40.717 42.059 -0.069 0.000 0.898 1348 L HN 0.107 nan 8.230 nan 0.000 0.433 1349 V N -0.390 119.463 119.914 -0.102 0.000 2.216 1349 V HA -0.308 3.812 4.120 -0.000 0.000 0.242 1349 V C 2.276 178.323 176.094 -0.078 0.000 1.042 1349 V CA 1.957 64.241 62.300 -0.026 0.000 0.991 1349 V CB -0.656 31.212 31.823 0.076 0.000 0.633 1349 V HN 0.393 nan 8.190 nan 0.000 0.449 1350 D N -0.356 120.011 120.400 -0.055 0.000 2.154 1350 D HA -0.251 4.389 4.640 -0.000 0.000 0.190 1350 D C 2.192 178.389 176.300 -0.173 0.000 1.003 1350 D CA 2.014 55.966 54.000 -0.079 0.000 0.849 1350 D CB -0.213 40.577 40.800 -0.017 0.000 0.942 1350 D HN 0.460 nan 8.370 nan 0.000 0.446 1351 E N 0.500 120.511 120.200 -0.315 0.000 2.209 1351 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 1351 E C 2.168 178.559 176.600 -0.348 0.000 0.993 1351 E CA 0.535 56.705 56.400 -0.384 0.000 0.819 1351 E CB -0.284 28.902 29.700 -0.857 0.000 0.745 1351 E HN 0.389 nan 8.360 nan 0.000 0.477 1352 I N -0.062 120.280 120.570 -0.380 0.000 2.193 1352 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 1352 I C 2.423 178.286 176.117 -0.423 0.000 1.084 1352 I CA 0.748 61.765 61.300 -0.471 0.000 1.365 1352 I CB -0.405 37.248 38.000 -0.578 0.000 1.064 1352 I HN 0.119 nan 8.210 nan 0.000 0.410 1353 Q N 1.407 121.044 119.800 -0.273 0.000 2.028 1353 Q HA -0.321 4.019 4.340 -0.000 0.000 0.213 1353 Q C 2.073 177.981 176.000 -0.153 0.000 1.017 1353 Q CA 1.977 57.678 55.803 -0.170 0.000 0.875 1353 Q CB -0.664 27.988 28.738 -0.144 0.000 0.962 1353 Q HN 0.472 nan 8.270 nan 0.000 0.413 1354 K N -0.418 119.895 120.400 -0.144 0.000 2.162 1354 K HA -0.266 4.054 4.320 -0.000 0.000 0.219 1354 K C 2.121 178.675 176.600 -0.076 0.000 1.038 1354 K CA 2.364 58.591 56.287 -0.100 0.000 0.946 1354 K CB -0.682 31.758 32.500 -0.100 0.000 0.783 1354 K HN 0.097 nan 8.250 nan 0.000 0.470 1355 V N 0.287 120.124 119.914 -0.128 0.000 2.261 1355 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 1355 V C 2.111 178.249 176.094 0.074 0.000 1.047 1355 V CA 1.775 64.034 62.300 -0.069 0.000 1.015 1355 V CB -0.691 31.044 31.823 -0.148 0.000 0.642 1355 V HN 0.319 nan 8.190 nan 0.000 0.446 1356 Y N 0.316 120.575 120.300 -0.068 0.000 2.060 1356 Y HA -0.275 4.275 4.550 -0.000 0.000 0.276 1356 Y C 2.950 178.824 175.900 -0.043 0.000 1.127 1356 Y CA 1.411 59.483 58.100 -0.046 0.000 1.104 1356 Y CB -0.387 38.053 38.460 -0.035 0.000 0.983 1356 Y HN 0.054 nan 8.280 nan 0.000 0.483 1357 R N 0.182 120.763 120.500 0.134 0.000 2.196 1357 R HA -0.311 4.029 4.340 -0.000 0.000 0.259 1357 R C 2.351 178.664 176.300 0.022 0.000 1.154 1357 R CA 1.718 57.843 56.100 0.043 0.000 0.976 1357 R CB -0.721 29.573 30.300 -0.011 0.000 0.888 1357 R HN 0.408 nan 8.270 nan 0.000 0.453 1358 A N 0.370 123.202 122.820 0.020 0.000 1.969 1358 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 1358 A C 1.706 179.297 177.584 0.012 0.000 1.169 1358 A CA 1.092 53.133 52.037 0.007 0.000 0.635 1358 A CB -0.079 18.921 19.000 -0.000 0.000 0.810 1358 A HN 0.369 nan 8.150 nan 0.000 0.445 1359 Q N -1.865 117.953 119.800 0.030 0.000 2.280 1359 Q HA 0.295 4.635 4.340 -0.000 0.000 0.201 1359 Q C 1.056 177.058 176.000 0.002 0.000 0.890 1359 Q CA 0.363 56.177 55.803 0.018 0.000 0.947 1359 Q CB 0.479 29.235 28.738 0.030 0.000 1.081 1359 Q HN 0.817 nan 8.270 nan 0.000 0.502 1360 G N 0.194 108.997 108.800 0.004 0.000 2.238 1360 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 1360 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 1360 G C 0.303 175.191 174.900 -0.020 0.000 0.996 1360 G CA -0.136 44.958 45.100 -0.010 0.000 0.632 1360 G HN 0.190 nan 8.290 nan 0.000 0.503 1361 V N 1.282 121.177 119.914 -0.031 0.000 2.673 1361 V HA 0.268 4.388 4.120 -0.000 0.000 0.303 1361 V C 1.220 177.309 176.094 -0.008 0.000 1.046 1361 V CA 1.219 63.475 62.300 -0.073 0.000 1.126 1361 V CB 1.346 33.037 31.823 -0.220 0.000 0.934 1361 V HN 0.356 nan 8.190 nan 0.000 0.487 1362 K N 4.055 124.447 120.400 -0.014 0.000 2.618 1362 K HA 0.333 4.653 4.320 -0.000 0.000 0.207 1362 K C 0.059 176.693 176.600 0.057 0.000 1.058 1362 K CA -0.233 56.068 56.287 0.023 0.000 1.086 1362 K CB 0.451 32.956 32.500 0.009 0.000 0.827 1362 K HN 0.715 nan 8.250 nan 0.000 0.481 1363 L N -1.742 119.530 121.223 0.082 0.000 2.468 1363 L HA 0.575 4.915 4.340 -0.000 0.000 0.254 1363 L C -0.123 176.912 176.870 0.275 0.000 1.171 1363 L CA -0.342 54.584 54.840 0.143 0.000 0.809 1363 L CB 0.623 42.750 42.059 0.112 0.000 1.155 1363 L HN 0.197 nan 8.230 nan 0.000 0.473 1364 H N -0.381 118.793 119.070 0.173 0.000 2.848 1364 H HA 0.106 4.662 4.556 -0.000 0.000 0.242 1364 H C -1.388 173.986 175.328 0.076 0.000 1.377 1364 H CA -0.251 55.878 56.048 0.135 0.000 1.060 1364 H CB -0.259 29.547 29.762 0.073 0.000 1.712 1364 H HN 1.080 nan 8.280 nan 0.000 0.424 1365 D N 1.871 121.880 120.400 -0.652 0.000 4.248 1365 D HA -0.103 4.537 4.640 -0.000 0.000 0.248 1365 D C -0.329 175.715 176.300 -0.426 0.000 1.056 1365 D CA 2.069 55.819 54.000 -0.417 0.000 1.191 1365 D CB -0.759 39.935 40.800 -0.178 0.000 0.870 1365 D HN 0.948 nan 8.370 nan 0.000 0.410 1366 K N -0.008 120.156 120.400 -0.393 0.000 7.321 1366 K HA -0.313 4.007 4.320 -0.000 0.000 0.195 1366 K C 1.185 177.720 176.600 -0.109 0.000 1.547 1366 K CA 0.196 56.341 56.287 -0.236 0.000 0.854 1366 K CB -1.399 30.897 32.500 -0.340 0.000 0.492 1366 K HN 0.458 nan 8.250 nan 0.000 0.472 1367 H N -0.042 119.101 119.070 0.123 0.000 1.452 1367 H HA -0.290 4.266 4.556 -0.000 0.000 0.090 1367 H C 1.908 177.294 175.328 0.097 0.000 1.246 1367 H CA 2.707 58.827 56.048 0.120 0.000 1.901 1367 H CB -1.730 28.101 29.762 0.116 0.000 2.257 1367 H HN 0.555 nan 8.280 nan 0.000 0.961 1368 I N 1.336 122.066 120.570 0.268 0.000 2.185 1368 I HA -0.291 3.879 4.170 -0.000 0.000 0.246 1368 I C 2.497 178.714 176.117 0.168 0.000 1.088 1368 I CA 2.021 63.476 61.300 0.259 0.000 1.347 1368 I CB -0.558 37.593 38.000 0.252 0.000 1.041 1368 I HN 0.426 nan 8.210 nan 0.000 0.415 1369 E N 1.234 121.488 120.200 0.091 0.000 2.017 1369 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 1369 E C 2.397 179.035 176.600 0.063 0.000 0.997 1369 E CA 1.256 57.692 56.400 0.060 0.000 0.804 1369 E CB -0.174 29.534 29.700 0.013 0.000 0.757 1369 E HN 0.381 nan 8.360 nan 0.000 0.448 1370 I N 1.362 121.972 120.570 0.068 0.000 2.147 1370 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 1370 I C 2.546 178.680 176.117 0.029 0.000 1.059 1370 I CA 1.469 62.799 61.300 0.050 0.000 1.320 1370 I CB -1.032 37.002 38.000 0.057 0.000 1.021 1370 I HN 0.021 nan 8.210 nan 0.000 0.415 1371 V N -0.177 119.757 119.914 0.033 0.000 2.358 1371 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 1371 V C 2.535 178.634 176.094 0.009 0.000 1.047 1371 V CA 1.109 63.396 62.300 -0.021 0.000 1.035 1371 V CB -0.536 31.218 31.823 -0.116 0.000 0.658 1371 V HN 0.215 nan 8.190 nan 0.000 0.452 1372 V N 0.359 120.313 119.914 0.066 0.000 2.343 1372 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 1372 V C 2.750 178.882 176.094 0.064 0.000 1.051 1372 V CA 2.480 64.832 62.300 0.087 0.000 1.036 1372 V CB -0.638 31.245 31.823 0.101 0.000 0.654 1372 V HN 0.548 nan 8.190 nan 0.000 0.451 1373 R N -0.468 120.060 120.500 0.046 0.000 2.103 1373 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 1373 R C 2.234 178.551 176.300 0.028 0.000 1.142 1373 R CA 1.963 58.082 56.100 0.031 0.000 0.960 1373 R CB -0.343 29.965 30.300 0.013 0.000 0.858 1373 R HN 0.513 nan 8.270 nan 0.000 0.439 1374 Q N 0.077 119.892 119.800 0.025 0.000 2.181 1374 Q HA -0.191 4.148 4.340 -0.000 0.000 0.205 1374 Q C 2.127 178.205 176.000 0.129 0.000 0.980 1374 Q CA 1.722 57.548 55.803 0.039 0.000 0.862 1374 Q CB -0.178 28.575 28.738 0.024 0.000 0.905 1374 Q HN 0.528 nan 8.270 nan 0.000 0.429 1375 M N -0.499 119.172 119.600 0.117 0.000 2.099 1375 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 1375 M C 0.657 177.072 176.300 0.193 0.000 1.067 1375 M CA 0.805 56.196 55.300 0.151 0.000 1.124 1375 M CB 0.045 32.704 32.600 0.100 0.000 1.353 1375 M HN 0.022 nan 8.290 nan 0.000 0.410 1376 L N 1.808 123.111 121.223 0.133 0.000 2.796 1376 L HA 0.085 4.425 4.340 -0.000 0.000 0.235 1376 L C 1.225 178.140 176.870 0.075 0.000 1.344 1376 L CA 0.775 55.689 54.840 0.124 0.000 1.245 1376 L CB -0.990 41.126 42.059 0.096 0.000 1.556 1376 L HN 0.376 nan 8.230 nan 0.000 0.423 1377 K N -1.659 118.785 120.400 0.074 0.000 2.425 1377 K HA 0.103 4.422 4.320 -0.000 0.000 0.201 1377 K C -0.240 176.198 176.600 -0.270 0.000 1.128 1377 K CA -0.161 56.030 56.287 -0.161 0.000 1.000 1377 K CB 0.373 32.694 32.500 -0.298 0.000 0.961 1377 K HN -0.016 nan 8.250 nan 0.000 0.555 1378 Y N 1.788 122.069 120.300 -0.032 0.000 2.352 1378 Y HA 0.412 4.962 4.550 -0.000 0.000 0.326 1378 Y C 0.317 176.214 175.900 -0.006 0.000 1.166 1378 Y CA -1.178 56.903 58.100 -0.031 0.000 1.182 1378 Y CB 1.670 40.124 38.460 -0.011 0.000 1.216 1378 Y HN -0.043 nan 8.280 nan 0.000 0.474 1379 V N -1.076 118.915 119.914 0.129 0.000 3.102 1379 V HA 0.655 4.775 4.120 -0.000 0.000 0.312 1379 V C -1.032 175.166 176.094 0.174 0.000 1.135 1379 V CA -1.164 61.227 62.300 0.151 0.000 1.022 1379 V CB 2.189 34.027 31.823 0.024 0.000 1.056 1379 V HN 0.818 nan 8.190 nan 0.000 0.436 1380 E N 1.435 121.763 120.200 0.212 0.000 2.186 1380 E HA 0.547 4.897 4.350 -0.000 0.000 0.255 1380 E C -0.624 176.091 176.600 0.192 0.000 0.881 1380 E CA -0.626 55.872 56.400 0.163 0.000 0.752 1380 E CB 1.964 31.734 29.700 0.116 0.000 1.176 1380 E HN 0.771 nan 8.360 nan 0.000 0.421 1381 V N 2.889 122.914 119.914 0.184 0.000 3.524 1381 V HA 0.108 4.228 4.120 -0.000 0.000 0.303 1381 V C 0.462 176.630 176.094 0.124 0.000 1.130 1381 V CA 0.518 62.929 62.300 0.185 0.000 1.225 1381 V CB 0.608 32.524 31.823 0.155 0.000 1.056 1381 V HN 0.931 nan 8.190 nan 0.000 0.495 1382 T N -1.469 113.146 114.554 0.102 0.000 3.087 1382 T HA 0.307 4.657 4.350 -0.000 0.000 0.351 1382 T C -0.649 174.077 174.700 0.043 0.000 1.520 1382 T CA -0.363 61.770 62.100 0.055 0.000 1.111 1382 T CB 1.284 70.169 68.868 0.028 0.000 1.353 1382 T HN 0.951 nan 8.240 nan 0.000 0.481 1383 D N 2.720 123.138 120.400 0.030 0.000 2.886 1383 D HA -0.114 4.526 4.640 -0.000 0.000 0.221 1383 D C -1.836 174.485 176.300 0.034 0.000 1.227 1383 D CA 0.367 54.381 54.000 0.023 0.000 0.746 1383 D CB 0.120 40.925 40.800 0.008 0.000 0.935 1383 D HN 0.531 nan 8.370 nan 0.000 0.399 1384 P HA 0.505 nan 4.420 nan 0.000 0.277 1384 P C 0.053 177.378 177.300 0.042 0.000 1.271 1384 P CA -0.255 62.879 63.100 0.055 0.000 0.795 1384 P CB 1.197 32.937 31.700 0.067 0.000 1.101 1385 G N -0.887 107.938 108.800 0.042 0.000 2.759 1385 G HA2 0.380 4.340 3.960 -0.000 0.000 0.297 1385 G HA3 0.380 4.340 3.960 -0.000 0.000 0.297 1385 G C -1.235 173.682 174.900 0.029 0.000 1.434 1385 G CA -0.597 44.522 45.100 0.031 0.000 0.980 1385 G HN 0.461 nan 8.290 nan 0.000 0.531 1386 D N -0.416 119.999 120.400 0.024 0.000 2.755 1386 D HA -0.132 4.507 4.640 -0.000 0.000 0.227 1386 D C 0.452 176.768 176.300 0.026 0.000 1.211 1386 D CA 2.033 56.045 54.000 0.020 0.000 0.663 1386 D CB -0.778 40.028 40.800 0.009 0.000 0.983 1386 D HN 0.574 nan 8.370 nan 0.000 0.407 1387 S N -1.488 114.236 115.700 0.041 0.000 2.703 1387 S HA 0.483 4.953 4.470 -0.000 0.000 0.273 1387 S C 0.605 175.244 174.600 0.065 0.000 1.178 1387 S CA -0.461 57.774 58.200 0.058 0.000 0.838 1387 S CB 1.294 64.536 63.200 0.069 0.000 1.178 1387 S HN 0.286 nan 8.310 nan 0.000 0.494 1388 R N 0.212 120.761 120.500 0.082 0.000 2.308 1388 R HA 0.505 4.845 4.340 -0.000 0.000 0.202 1388 R C 0.205 176.546 176.300 0.069 0.000 0.898 1388 R CA 0.090 56.234 56.100 0.074 0.000 1.046 1388 R CB -0.109 30.238 30.300 0.079 0.000 1.026 1388 R HN 0.366 nan 8.270 nan 0.000 0.512 1389 L N -0.695 120.574 121.223 0.078 0.000 2.251 1389 L HA 0.358 4.697 4.340 -0.000 0.000 0.244 1389 L C 0.003 176.916 176.870 0.071 0.000 1.095 1389 L CA -0.882 54.000 54.840 0.070 0.000 0.910 1389 L CB 1.625 43.726 42.059 0.071 0.000 1.516 1389 L HN -0.139 nan 8.230 nan 0.000 0.429 1390 L N -0.423 120.838 121.223 0.063 0.000 2.600 1390 L HA 0.237 4.577 4.340 -0.000 0.000 0.213 1390 L C 0.970 177.882 176.870 0.070 0.000 1.045 1390 L CA 0.839 55.716 54.840 0.062 0.000 0.863 1390 L CB 0.335 42.422 42.059 0.046 0.000 1.189 1390 L HN 0.502 nan 8.230 nan 0.000 0.484 1391 E N -0.739 119.499 120.200 0.062 0.000 2.569 1391 E HA 0.216 4.566 4.350 -0.000 0.000 0.205 1391 E C 1.746 178.388 176.600 0.069 0.000 1.006 1391 E CA 0.378 56.816 56.400 0.063 0.000 0.985 1391 E CB 0.121 29.846 29.700 0.043 0.000 1.060 1391 E HN 0.265 nan 8.360 nan 0.000 0.460 1392 G N 1.188 110.037 108.800 0.082 0.000 2.852 1392 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.225 1392 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.225 1392 G C 0.723 175.669 174.900 0.077 0.000 1.080 1392 G CA 1.228 46.378 45.100 0.084 0.000 0.729 1392 G HN 0.489 nan 8.290 nan 0.000 0.636 1393 Q N -1.097 118.757 119.800 0.090 0.000 2.443 1393 Q HA -0.121 4.219 4.340 -0.000 0.000 0.362 1393 Q C -0.722 175.344 176.000 0.110 0.000 1.423 1393 Q CA 0.020 55.881 55.803 0.097 0.000 1.037 1393 Q CB -1.061 27.710 28.738 0.056 0.000 1.208 1393 Q HN 0.323 nan 8.270 nan 0.000 0.334 1394 V N 0.913 120.892 119.914 0.108 0.000 3.103 1394 V HA 0.812 4.932 4.120 -0.000 0.000 0.318 1394 V C 0.629 176.720 176.094 -0.005 0.000 1.114 1394 V CA -0.226 62.112 62.300 0.065 0.000 1.020 1394 V CB 1.739 33.643 31.823 0.135 0.000 1.085 1394 V HN 0.509 nan 8.190 nan 0.000 0.446 1395 L N 1.470 122.638 121.223 -0.091 0.000 2.456 1395 L HA 0.330 4.669 4.340 -0.000 0.000 0.277 1395 L C 1.474 178.172 176.870 -0.287 0.000 1.124 1395 L CA 0.599 55.280 54.840 -0.265 0.000 0.880 1395 L CB -1.000 40.880 42.059 -0.298 0.000 1.192 1395 L HN 1.040 nan 8.230 nan 0.000 0.463 1396 E N 1.706 121.676 120.200 -0.382 0.000 2.200 1396 E HA -0.382 3.968 4.350 -0.000 0.000 0.211 1396 E C 1.939 178.210 176.600 -0.548 0.000 1.048 1396 E CA 2.482 58.545 56.400 -0.563 0.000 0.851 1396 E CB 0.279 29.717 29.700 -0.437 0.000 0.747 1396 E HN 0.811 nan 8.360 nan 0.000 0.462 1397 K N 0.033 120.177 120.400 -0.428 0.000 2.076 1397 K HA -0.137 4.182 4.320 -0.000 0.000 0.204 1397 K C 1.603 178.054 176.600 -0.249 0.000 1.051 1397 K CA 1.421 57.495 56.287 -0.355 0.000 0.949 1397 K CB -0.914 31.350 32.500 -0.393 0.000 0.726 1397 K HN 0.291 nan 8.250 nan 0.000 0.443 1398 W N 1.741 122.796 121.300 -0.409 0.000 2.350 1398 W HA -0.161 4.499 4.660 -0.000 0.000 0.289 1398 W C 1.134 177.529 176.519 -0.207 0.000 1.215 1398 W CA 2.061 59.267 57.345 -0.233 0.000 1.236 1398 W CB -0.365 29.005 29.460 -0.149 0.000 1.130 1398 W HN 0.257 nan 8.180 nan 0.000 0.541 1399 D N -1.465 118.843 120.400 -0.153 0.000 2.317 1399 D HA -0.101 4.539 4.640 -0.000 0.000 0.211 1399 D C 1.982 178.094 176.300 -0.313 0.000 0.966 1399 D CA 0.838 54.679 54.000 -0.265 0.000 0.876 1399 D CB 0.156 40.665 40.800 -0.484 0.000 0.927 1399 D HN -0.025 nan 8.370 nan 0.000 0.519 1400 V N 0.645 120.362 119.914 -0.328 0.000 3.306 1400 V HA -0.042 4.078 4.120 -0.000 0.000 0.264 1400 V C 1.974 177.991 176.094 -0.127 0.000 1.149 1400 V CA 0.886 63.069 62.300 -0.196 0.000 1.143 1400 V CB -0.129 31.585 31.823 -0.182 0.000 0.767 1400 V HN 0.157 nan 8.190 nan 0.000 0.476 1401 E N 0.740 120.823 120.200 -0.196 0.000 2.076 1401 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 1401 E C 2.379 178.882 176.600 -0.162 0.000 0.979 1401 E CA 1.265 57.548 56.400 -0.195 0.000 0.807 1401 E CB -0.433 29.081 29.700 -0.310 0.000 0.761 1401 E HN 0.519 nan 8.360 nan 0.000 0.454 1402 A N 2.012 124.724 122.820 -0.181 0.000 1.837 1402 A HA -0.166 4.153 4.320 -0.000 0.000 0.216 1402 A C 2.198 179.763 177.584 -0.032 0.000 1.210 1402 A CA 1.349 53.319 52.037 -0.111 0.000 0.632 1402 A CB -1.132 17.822 19.000 -0.077 0.000 0.843 1402 A HN 0.244 nan 8.150 nan 0.000 0.448 1403 L N -0.005 121.238 121.223 0.033 0.000 2.841 1403 L HA -0.170 4.170 4.340 -0.000 0.000 0.249 1403 L C 1.820 178.709 176.870 0.032 0.000 1.177 1403 L CA 1.069 55.949 54.840 0.066 0.000 0.864 1403 L CB -0.786 41.371 42.059 0.164 0.000 1.026 1403 L HN 0.735 nan 8.230 nan 0.000 0.457 1404 N N -0.625 118.073 118.700 -0.004 0.000 2.909 1404 N HA -0.114 4.626 4.740 -0.000 0.000 0.243 1404 N C 1.540 177.036 175.510 -0.024 0.000 1.018 1404 N CA 0.202 53.245 53.050 -0.012 0.000 1.068 1404 N CB -0.000 38.472 38.487 -0.025 0.000 1.651 1404 N HN 0.087 nan 8.380 nan 0.000 0.509 1405 E N -0.649 119.524 120.200 -0.045 0.000 2.338 1405 E HA -0.013 4.336 4.350 -0.000 0.000 0.197 1405 E C 1.013 177.592 176.600 -0.036 0.000 1.007 1405 E CA 0.672 57.044 56.400 -0.046 0.000 0.849 1405 E CB 0.231 29.887 29.700 -0.072 0.000 0.774 1405 E HN 0.197 nan 8.360 nan 0.000 0.506 1406 R N -0.474 120.007 120.500 -0.031 0.000 2.307 1406 R HA 0.060 4.399 4.340 -0.000 0.000 0.200 1406 R C 1.878 178.174 176.300 -0.006 0.000 0.893 1406 R CA -0.010 56.079 56.100 -0.018 0.000 1.042 1406 R CB -0.180 30.109 30.300 -0.018 0.000 1.059 1406 R HN 0.176 nan 8.270 nan 0.000 0.530 1407 L N 1.579 122.801 121.223 -0.003 0.000 2.456 1407 L HA 0.013 4.353 4.340 -0.000 0.000 0.224 1407 L C 0.899 177.769 176.870 0.000 0.000 1.148 1407 L CA 1.201 56.043 54.840 0.004 0.000 0.825 1407 L CB -0.143 41.921 42.059 0.008 0.000 0.937 1407 L HN -0.058 nan 8.230 nan 0.000 0.450 1408 I N 0.877 121.445 120.570 -0.004 0.000 3.426 1408 I HA 0.228 4.397 4.170 -0.000 0.000 0.295 1408 I C 0.707 176.823 176.117 -0.002 0.000 1.215 1408 I CA 0.457 61.755 61.300 -0.003 0.000 1.383 1408 I CB -2.696 35.301 38.000 -0.006 0.000 1.110 1408 I HN 0.322 nan 8.210 nan 0.000 0.540 1414 P HA 0.022 nan 4.420 nan 0.000 0.253 1414 P C 0.005 177.317 177.300 0.021 0.000 1.159 1414 P CA 0.531 63.633 63.100 0.003 0.000 0.779 1414 P CB 0.390 32.083 31.700 -0.012 0.000 0.745 1415 V N 3.721 123.662 119.914 0.045 0.000 2.219 1415 V HA 0.380 4.500 4.120 -0.000 0.000 0.267 1415 V C 0.811 176.992 176.094 0.145 0.000 1.266 1415 V CA -0.535 61.819 62.300 0.090 0.000 1.270 1415 V CB -0.148 31.735 31.823 0.100 0.000 1.356 1415 V HN 0.590 nan 8.190 nan 0.000 0.490 1416 A N 3.031 125.889 122.820 0.063 0.000 2.304 1416 A HA 0.807 5.127 4.320 -0.000 0.000 0.271 1416 A C -0.521 177.142 177.584 0.132 0.000 1.091 1416 A CA -0.302 51.717 52.037 -0.029 0.000 0.812 1416 A CB 0.716 19.638 19.000 -0.131 0.000 1.056 1416 A HN 0.959 nan 8.150 nan 0.000 0.489 1417 W N -0.001 121.312 121.300 0.022 0.000 3.018 1417 W HA 0.757 5.417 4.660 -0.000 0.000 0.352 1417 W C -1.317 175.220 176.519 0.031 0.000 1.230 1417 W CA -0.884 56.480 57.345 0.032 0.000 1.162 1417 W CB 0.954 30.438 29.460 0.039 0.000 1.483 1417 W HN 0.573 nan 8.180 nan 0.000 0.584 1418 K N 1.774 122.357 120.400 0.305 0.000 2.318 1418 K HA 0.468 4.788 4.320 -0.000 0.000 0.249 1418 K C -2.585 174.232 176.600 0.363 0.000 0.942 1418 K CA -1.938 54.458 56.287 0.182 0.000 0.808 1418 K CB 2.561 35.122 32.500 0.101 0.000 1.189 1418 K HN 0.186 nan 8.250 nan 0.000 0.428 1419 P HA 0.111 nan 4.420 nan 0.000 0.287 1419 P C -1.159 176.253 177.300 0.186 0.000 1.307 1419 P CA -0.487 62.768 63.100 0.257 0.000 0.777 1419 P CB 0.672 32.501 31.700 0.215 0.000 0.883 1420 L N 5.155 126.490 121.223 0.187 0.000 2.334 1420 L HA 0.543 4.883 4.340 -0.000 0.000 0.272 1420 L C -1.038 175.936 176.870 0.173 0.000 1.020 1420 L CA -1.044 53.891 54.840 0.158 0.000 0.812 1420 L CB 1.499 43.638 42.059 0.133 0.000 1.264 1420 L HN 0.168 nan 8.230 nan 0.000 0.439 1421 L N 4.873 126.214 121.223 0.196 0.000 2.276 1421 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 1421 L C -0.759 176.224 176.870 0.188 0.000 1.024 1421 L CA -0.046 54.919 54.840 0.209 0.000 0.826 1421 L CB 0.914 43.118 42.059 0.242 0.000 1.211 1421 L HN 0.567 nan 8.230 nan 0.000 0.422 1422 M N 3.376 123.029 119.600 0.088 0.000 2.264 1422 M HA 0.417 4.896 4.480 -0.000 0.000 0.352 1422 M C 0.697 177.003 176.300 0.010 0.000 1.173 1422 M CA -0.370 54.914 55.300 -0.027 0.000 1.075 1422 M CB 1.261 33.710 32.600 -0.251 0.000 1.621 1422 M HN 0.663 nan 8.290 nan 0.000 0.457 1423 G N 1.242 110.043 108.800 0.003 0.000 2.594 1423 G HA2 0.315 4.275 3.960 -0.000 0.000 0.243 1423 G HA3 0.315 4.275 3.960 -0.000 0.000 0.243 1423 G C 0.873 175.780 174.900 0.012 0.000 1.229 1423 G CA -0.656 44.459 45.100 0.026 0.000 0.843 1423 G HN 0.602 nan 8.290 nan 0.000 0.578 1424 V N 1.017 120.953 119.914 0.037 0.000 2.392 1424 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 1424 V C 3.023 179.126 176.094 0.014 0.000 1.059 1424 V CA 2.734 65.042 62.300 0.013 0.000 1.051 1424 V CB -0.572 31.233 31.823 -0.030 0.000 0.658 1424 V HN 0.875 nan 8.190 nan 0.000 0.455 1425 T N -0.444 114.128 114.554 0.030 0.000 2.639 1425 T HA -0.180 4.169 4.350 -0.000 0.000 0.261 1425 T C 1.674 176.344 174.700 -0.049 0.000 1.053 1425 T CA 1.343 63.462 62.100 0.033 0.000 1.158 1425 T CB -0.254 68.654 68.868 0.067 0.000 0.863 1425 T HN 0.423 nan 8.240 nan 0.000 0.413 1426 K N 1.274 121.625 120.400 -0.082 0.000 2.640 1426 K HA 0.024 4.343 4.320 -0.000 0.000 0.193 1426 K C 2.166 178.601 176.600 -0.275 0.000 1.036 1426 K CA 0.194 56.377 56.287 -0.173 0.000 0.962 1426 K CB -0.049 32.358 32.500 -0.154 0.000 0.791 1426 K HN 0.155 nan 8.250 nan 0.000 0.491 1427 S N 0.583 116.169 115.700 -0.190 0.000 2.460 1427 S HA 0.067 4.537 4.470 -0.000 0.000 0.185 1427 S C 1.950 176.540 174.600 -0.018 0.000 0.908 1427 S CA 0.495 58.604 58.200 -0.153 0.000 0.894 1427 S CB -0.141 63.095 63.200 0.059 0.000 0.855 1427 S HN 0.296 nan 8.310 nan 0.000 0.574 1428 A N 1.049 123.891 122.820 0.036 0.000 2.194 1428 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 1428 A C 1.895 179.394 177.584 -0.142 0.000 1.162 1428 A CA 1.523 53.606 52.037 0.076 0.000 0.674 1428 A CB -0.645 18.474 19.000 0.198 0.000 0.789 1428 A HN 0.574 nan 8.150 nan 0.000 0.470 1429 L N -1.784 119.191 121.223 -0.413 0.000 2.554 1429 L HA 0.330 4.670 4.340 -0.000 0.000 0.225 1429 L C 0.969 177.475 176.870 -0.606 0.000 1.104 1429 L CA 1.342 55.582 54.840 -1.001 0.000 0.866 1429 L CB 0.231 41.819 42.059 -0.785 0.000 1.047 1429 L HN 0.151 nan 8.230 nan 0.000 0.468 1430 S N -0.269 115.229 115.700 -0.335 0.000 2.128 1430 S HA 0.602 5.071 4.470 -0.000 0.000 0.157 1430 S C -0.333 174.256 174.600 -0.018 0.000 1.650 1430 S CA -0.034 58.028 58.200 -0.230 0.000 1.269 1430 S CB -0.367 62.664 63.200 -0.283 0.000 1.227 1430 S HN 0.429 nan 8.310 nan 0.000 0.405 1431 T N 2.267 116.815 114.554 -0.010 0.000 2.983 1431 T HA 0.314 4.664 4.350 -0.000 0.000 0.357 1431 T C -0.321 174.349 174.700 -0.049 0.000 1.830 1431 T CA 0.077 62.219 62.100 0.069 0.000 1.080 1431 T CB 0.685 69.719 68.868 0.276 0.000 1.675 1431 T HN 0.772 nan 8.240 nan 0.000 0.497 1432 K N 0.567 120.904 120.400 -0.104 0.000 6.395 1432 K HA -0.204 4.115 4.320 -0.000 0.000 0.314 1432 K C 0.356 176.862 176.600 -0.156 0.000 0.630 1432 K CA 1.651 57.816 56.287 -0.203 0.000 1.058 1432 K CB -2.125 30.162 32.500 -0.355 0.000 0.792 1432 K HN 0.972 nan 8.250 nan 0.000 0.909 1433 S N 1.376 116.975 115.700 -0.168 0.000 2.474 1433 S HA 0.247 4.717 4.470 -0.000 0.000 0.276 1433 S C 1.082 175.602 174.600 -0.134 0.000 1.227 1433 S CA 0.282 58.388 58.200 -0.155 0.000 1.050 1433 S CB 0.232 63.274 63.200 -0.263 0.000 0.939 1433 S HN 0.542 nan 8.310 nan 0.000 0.490 1434 W N 6.858 128.105 121.300 -0.089 0.000 2.325 1434 W HA -0.171 4.489 4.660 -0.000 0.000 0.299 1434 W C 1.150 177.598 176.519 -0.118 0.000 1.215 1434 W CA 1.142 58.431 57.345 -0.093 0.000 1.244 1434 W CB -0.780 28.638 29.460 -0.069 0.000 1.140 1434 W HN 0.611 nan 8.180 nan 0.000 0.523 1435 L N 2.190 122.645 121.223 -1.280 0.000 1.978 1435 L HA -0.309 4.031 4.340 -0.000 0.000 0.218 1435 L C 2.942 179.492 176.870 -0.534 0.000 1.075 1435 L CA 3.379 57.562 54.840 -1.094 0.000 0.767 1435 L CB -1.395 40.050 42.059 -1.024 0.000 0.890 1435 L HN 0.347 nan 8.230 nan 0.000 0.434 1436 S N -1.704 113.801 115.700 -0.325 0.000 2.470 1436 S HA 0.103 4.573 4.470 -0.000 0.000 0.225 1436 S C 1.878 176.495 174.600 0.028 0.000 1.006 1436 S CA 0.392 58.504 58.200 -0.148 0.000 0.934 1436 S CB -0.533 62.634 63.200 -0.054 0.000 0.778 1436 S HN 0.406 nan 8.310 nan 0.000 0.517 1437 A N 1.258 124.105 122.820 0.045 0.000 2.167 1437 A HA 0.590 4.910 4.320 -0.000 0.000 0.214 1437 A C 2.225 179.896 177.584 0.145 0.000 1.151 1437 A CA 0.896 53.066 52.037 0.223 0.000 0.735 1437 A CB -0.831 18.152 19.000 -0.028 0.000 0.802 1437 A HN 0.672 nan 8.150 nan 0.000 0.467 1438 A N -0.415 122.309 122.820 -0.161 0.000 1.970 1438 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 1438 A C 2.309 179.668 177.584 -0.377 0.000 1.170 1438 A CA 1.560 53.341 52.037 -0.427 0.000 0.645 1438 A CB -0.615 17.717 19.000 -1.112 0.000 0.816 1438 A HN 0.412 nan 8.150 nan 0.000 0.447 1439 S N -0.227 115.285 115.700 -0.313 0.000 2.400 1439 S HA -0.033 4.437 4.470 -0.000 0.000 0.232 1439 S C 0.549 175.004 174.600 -0.243 0.000 1.025 1439 S CA 0.541 58.593 58.200 -0.247 0.000 0.993 1439 S CB -0.494 62.509 63.200 -0.327 0.000 0.808 1439 S HN 0.471 nan 8.310 nan 0.000 0.478 1440 F N 1.549 121.428 119.950 -0.119 0.000 2.527 1440 F HA 0.174 4.701 4.527 -0.000 0.000 0.316 1440 F C 1.241 177.005 175.800 -0.059 0.000 1.258 1440 F CA -0.401 57.551 58.000 -0.079 0.000 1.314 1440 F CB 0.201 39.150 39.000 -0.084 0.000 1.200 1440 F HN -0.055 nan 8.300 nan 0.000 0.577 1441 Q N 2.657 122.565 119.800 0.180 0.000 3.159 1441 Q HA 0.150 4.490 4.340 -0.000 0.000 0.280 1441 Q C -1.040 175.009 176.000 0.080 0.000 1.403 1441 Q CA 0.106 55.965 55.803 0.093 0.000 0.957 1441 Q CB -0.933 27.850 28.738 0.076 0.000 1.729 1441 Q HN 0.592 nan 8.270 nan 0.000 0.551 1442 N N -0.732 118.013 118.700 0.074 0.000 3.596 1442 N HA -0.052 4.688 4.740 -0.000 0.000 0.135 1442 N C -0.302 175.243 175.510 0.059 0.000 0.982 1442 N CA 0.250 53.339 53.050 0.064 0.000 2.806 1442 N CB -0.996 37.508 38.487 0.028 0.000 1.378 1442 N HN 0.099 nan 8.380 nan 0.000 0.776 1443 T N 0.046 114.633 114.554 0.054 0.000 2.674 1443 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 1443 T C 1.619 176.370 174.700 0.085 0.000 1.039 1443 T CA 2.512 64.630 62.100 0.031 0.000 1.150 1443 T CB -0.274 68.625 68.868 0.053 0.000 0.864 1443 T HN 0.436 nan 8.240 nan 0.000 0.427 1444 T N 1.075 115.692 114.554 0.106 0.000 2.505 1444 T HA -0.280 4.070 4.350 -0.000 0.000 0.259 1444 T C 1.582 176.360 174.700 0.129 0.000 1.158 1444 T CA 2.123 64.287 62.100 0.106 0.000 1.190 1444 T CB -0.895 68.025 68.868 0.087 0.000 0.864 1444 T HN 0.644 nan 8.240 nan 0.000 0.413 1445 H N 0.326 119.406 119.070 0.016 0.000 2.252 1445 H HA -0.164 4.392 4.556 -0.000 0.000 0.292 1445 H C 2.277 177.604 175.328 -0.002 0.000 1.082 1445 H CA 1.956 58.005 56.048 0.000 0.000 1.229 1445 H CB -0.387 29.373 29.762 -0.003 0.000 1.353 1445 H HN 0.116 nan 8.280 nan 0.000 0.488 1446 V N 0.521 120.519 119.914 0.139 0.000 2.233 1446 V HA -0.325 3.795 4.120 -0.000 0.000 0.252 1446 V C 2.692 178.856 176.094 0.116 0.000 1.063 1446 V CA 2.018 64.355 62.300 0.062 0.000 1.032 1446 V CB -0.747 31.087 31.823 0.017 0.000 0.645 1446 V HN 0.353 nan 8.190 nan 0.000 0.446 1447 L N -0.393 120.901 121.223 0.119 0.000 2.079 1447 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 1447 L C 2.541 179.408 176.870 -0.005 0.000 1.081 1447 L CA 2.290 57.187 54.840 0.095 0.000 0.752 1447 L CB -1.212 40.940 42.059 0.155 0.000 0.896 1447 L HN 0.389 nan 8.230 nan 0.000 0.433 1448 T N -1.159 113.411 114.554 0.026 0.000 2.595 1448 T HA -0.244 4.105 4.350 -0.000 0.000 0.264 1448 T C 1.687 176.340 174.700 -0.078 0.000 1.058 1448 T CA 1.605 63.683 62.100 -0.036 0.000 1.166 1448 T CB -0.104 68.745 68.868 -0.033 0.000 0.863 1448 T HN 0.339 nan 8.240 nan 0.000 0.415 1449 E N 1.574 121.774 120.200 -0.000 0.000 2.026 1449 E HA -0.190 4.160 4.350 -0.000 0.000 0.206 1449 E C 2.261 178.809 176.600 -0.087 0.000 1.028 1449 E CA 1.991 58.386 56.400 -0.009 0.000 0.845 1449 E CB -0.957 28.796 29.700 0.088 0.000 0.772 1449 E HN 0.367 nan 8.360 nan 0.000 0.462 1450 A N 1.062 123.821 122.820 -0.101 0.000 1.923 1450 A HA -0.319 4.001 4.320 -0.000 0.000 0.222 1450 A C 2.545 179.931 177.584 -0.330 0.000 1.258 1450 A CA 3.683 55.577 52.037 -0.239 0.000 0.670 1450 A CB -1.666 17.063 19.000 -0.452 0.000 0.834 1450 A HN 0.578 nan 8.150 nan 0.000 0.470 1451 A N -0.652 121.975 122.820 -0.321 0.000 1.859 1451 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 1451 A C 2.015 179.424 177.584 -0.292 0.000 1.198 1451 A CA 1.976 53.828 52.037 -0.309 0.000 0.629 1451 A CB -0.761 18.089 19.000 -0.249 0.000 0.830 1451 A HN 0.490 nan 8.150 nan 0.000 0.446 1452 I N 0.286 120.699 120.570 -0.262 0.000 2.043 1452 I HA -0.213 3.956 4.170 -0.000 0.000 0.231 1452 I C 2.010 177.994 176.117 -0.223 0.000 1.024 1452 I CA 1.346 62.494 61.300 -0.253 0.000 1.309 1452 I CB -1.005 36.988 38.000 -0.012 0.000 1.030 1452 I HN 0.406 nan 8.210 nan 0.000 0.389 1453 A N -0.012 122.738 122.820 -0.117 0.000 2.407 1453 A HA 0.331 4.651 4.320 -0.000 0.000 0.257 1453 A C 1.735 179.243 177.584 -0.128 0.000 1.131 1453 A CA 0.484 52.470 52.037 -0.085 0.000 0.803 1453 A CB -1.020 17.956 19.000 -0.039 0.000 1.083 1453 A HN 0.505 nan 8.150 nan 0.000 0.512 1454 G N -1.165 107.588 108.800 -0.079 0.000 2.556 1454 G HA2 0.258 4.218 3.960 -0.000 0.000 0.215 1454 G HA3 0.258 4.218 3.960 -0.000 0.000 0.215 1454 G C 0.011 174.846 174.900 -0.108 0.000 1.258 1454 G CA 0.941 45.992 45.100 -0.081 0.000 0.811 1454 G HN 0.885 nan 8.290 nan 0.000 0.557 1455 K N -0.748 119.626 120.400 -0.044 0.000 7.055 1455 K HA -0.108 4.211 4.320 -0.000 0.000 0.623 1455 K C -0.952 175.691 176.600 0.073 0.000 2.571 1455 K CA 0.732 57.017 56.287 -0.003 0.000 1.982 1455 K CB -0.816 31.599 32.500 -0.142 0.000 2.344 1455 K HN 0.643 nan 8.250 nan 0.000 0.202 1456 K N 2.013 122.547 120.400 0.223 0.000 2.767 1456 K HA 0.056 4.376 4.320 -0.000 0.000 0.286 1456 K C 0.386 177.143 176.600 0.261 0.000 1.177 1456 K CA -0.647 55.802 56.287 0.270 0.000 1.078 1456 K CB 1.265 33.853 32.500 0.147 0.000 1.358 1456 K HN 0.586 nan 8.250 nan 0.000 0.531 1457 D N 2.281 122.892 120.400 0.352 0.000 2.339 1457 D HA -0.296 4.344 4.640 -0.000 0.000 0.189 1457 D C 0.772 177.048 176.300 -0.040 0.000 1.022 1457 D CA 2.372 56.354 54.000 -0.030 0.000 0.884 1457 D CB 0.456 41.057 40.800 -0.331 0.000 0.916 1457 D HN 0.784 nan 8.370 nan 0.000 0.453 1458 E N -1.635 118.572 120.200 0.012 0.000 4.067 1458 E HA -0.261 4.089 4.350 -0.000 0.000 0.346 1458 E C 0.437 177.014 176.600 -0.038 0.000 0.613 1458 E CA 1.042 57.442 56.400 0.001 0.000 1.252 1458 E CB -1.560 28.142 29.700 0.003 0.000 1.731 1458 E HN 0.530 nan 8.360 nan 0.000 0.406 1459 L N -0.695 120.479 121.223 -0.082 0.000 3.664 1459 L HA -0.266 4.074 4.340 -0.000 0.000 0.560 1459 L C 1.048 177.868 176.870 -0.083 0.000 1.285 1459 L CA 0.780 55.565 54.840 -0.092 0.000 0.864 1459 L CB -1.772 40.248 42.059 -0.065 0.000 1.512 1459 L HN 0.273 nan 8.230 nan 0.000 0.853 1460 I N -0.395 120.102 120.570 -0.121 0.000 2.729 1460 I HA 0.110 4.280 4.170 -0.000 0.000 0.256 1460 I C 1.812 177.869 176.117 -0.100 0.000 1.115 1460 I CA 1.087 62.312 61.300 -0.125 0.000 1.446 1460 I CB 0.090 37.952 38.000 -0.230 0.000 1.176 1460 I HN 0.509 nan 8.210 nan 0.000 0.446 1461 G N 1.321 110.056 108.800 -0.108 0.000 2.354 1461 G HA2 0.305 4.265 3.960 -0.000 0.000 0.266 1461 G HA3 0.305 4.265 3.960 -0.000 0.000 0.266 1461 G C 0.860 175.841 174.900 0.134 0.000 1.242 1461 G CA -0.334 44.786 45.100 0.034 0.000 0.923 1461 G HN 0.131 nan 8.290 nan 0.000 0.476 1462 L N 2.148 123.524 121.223 0.256 0.000 1.963 1462 L HA -0.185 4.154 4.340 -0.000 0.000 0.220 1462 L C 2.798 179.603 176.870 -0.109 0.000 1.076 1462 L CA 1.585 56.449 54.840 0.040 0.000 0.772 1462 L CB -0.317 41.758 42.059 0.027 0.000 0.892 1462 L HN 0.499 nan 8.230 nan 0.000 0.435 1463 K N -0.054 120.158 120.400 -0.313 0.000 2.589 1463 K HA -0.170 4.150 4.320 -0.000 0.000 0.195 1463 K C 1.623 178.140 176.600 -0.138 0.000 1.040 1463 K CA 0.909 57.035 56.287 -0.269 0.000 0.950 1463 K CB -0.094 32.174 32.500 -0.386 0.000 0.781 1463 K HN 0.551 nan 8.250 nan 0.000 0.486 1464 E N 0.406 120.555 120.200 -0.085 0.000 2.057 1464 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 1464 E C 1.690 178.230 176.600 -0.101 0.000 0.959 1464 E CA 0.053 56.390 56.400 -0.106 0.000 0.828 1464 E CB -0.186 29.437 29.700 -0.128 0.000 0.800 1464 E HN 0.200 nan 8.360 nan 0.000 0.460 1465 N N 1.230 119.877 118.700 -0.089 0.000 2.184 1465 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 1465 N C 1.901 177.365 175.510 -0.077 0.000 1.011 1465 N CA 0.915 53.918 53.050 -0.078 0.000 0.867 1465 N CB 0.078 38.525 38.487 -0.065 0.000 0.993 1465 N HN -0.020 nan 8.380 nan 0.000 0.433 1466 V N 1.716 121.577 119.914 -0.088 0.000 2.229 1466 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 1466 V C 2.365 178.415 176.094 -0.072 0.000 1.042 1466 V CA 1.346 63.592 62.300 -0.089 0.000 1.000 1466 V CB -0.364 31.391 31.823 -0.114 0.000 0.637 1466 V HN 0.238 nan 8.190 nan 0.000 0.446 1467 I N 0.054 120.586 120.570 -0.063 0.000 2.147 1467 I HA -0.345 3.824 4.170 -0.000 0.000 0.245 1467 I C 1.831 177.925 176.117 -0.038 0.000 1.059 1467 I CA 1.813 63.099 61.300 -0.025 0.000 1.320 1467 I CB -0.444 37.581 38.000 0.041 0.000 1.021 1467 I HN 0.285 nan 8.210 nan 0.000 0.415 1468 L N 0.958 122.154 121.223 -0.046 0.000 2.693 1468 L HA 0.141 4.481 4.340 -0.000 0.000 0.242 1468 L C 1.667 178.507 176.870 -0.050 0.000 1.157 1468 L CA 0.383 55.195 54.840 -0.047 0.000 0.929 1468 L CB -1.088 40.946 42.059 -0.043 0.000 1.103 1468 L HN 0.534 nan 8.230 nan 0.000 0.430 1469 G N 0.537 109.304 108.800 -0.056 0.000 2.225 1469 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.272 1469 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.272 1469 G C 0.864 175.730 174.900 -0.056 0.000 0.996 1469 G CA 0.481 45.548 45.100 -0.056 0.000 0.710 1469 G HN 0.442 nan 8.290 nan 0.000 0.522 1470 R N -1.250 119.216 120.500 -0.056 0.000 3.151 1470 R HA 0.285 4.625 4.340 -0.000 0.000 0.283 1470 R C 0.709 176.969 176.300 -0.067 0.000 1.140 1470 R CA 0.006 56.072 56.100 -0.056 0.000 1.162 1470 R CB 0.007 30.275 30.300 -0.053 0.000 1.121 1470 R HN 0.344 nan 8.270 nan 0.000 0.552 1471 L N 2.631 123.812 121.223 -0.069 0.000 2.449 1471 L HA 0.181 4.520 4.340 -0.000 0.000 0.255 1471 L C -0.531 176.286 176.870 -0.088 0.000 1.167 1471 L CA -0.042 54.746 54.840 -0.087 0.000 1.090 1471 L CB -0.228 41.775 42.059 -0.093 0.000 1.385 1471 L HN 0.347 nan 8.230 nan 0.000 0.411 1472 I N 5.633 126.152 120.570 -0.085 0.000 2.818 1472 I HA -0.220 3.950 4.170 -0.000 0.000 0.164 1472 I C -0.874 175.204 176.117 -0.064 0.000 0.901 1472 I CA 0.174 61.429 61.300 -0.075 0.000 2.707 1472 I CB -0.112 37.839 38.000 -0.082 0.000 0.628 1472 I HN 0.512 nan 8.210 nan 0.000 0.354 1473 P HA -0.092 nan 4.420 nan 0.000 0.217 1473 P C 0.612 177.897 177.300 -0.024 0.000 1.150 1473 P CA 1.287 64.368 63.100 -0.033 0.000 0.832 1473 P CB 0.322 32.008 31.700 -0.023 0.000 0.787 1474 A N -0.109 122.698 122.820 -0.021 0.000 2.292 1474 A HA 0.498 4.818 4.320 -0.000 0.000 0.265 1474 A C 1.196 178.768 177.584 -0.021 0.000 1.133 1474 A CA 0.407 52.436 52.037 -0.014 0.000 0.807 1474 A CB -1.163 17.830 19.000 -0.012 0.000 1.102 1474 A HN 0.407 nan 8.150 nan 0.000 0.502 1475 G N -0.780 108.017 108.800 -0.006 0.000 2.574 1475 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.282 1475 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.282 1475 G C 0.965 175.859 174.900 -0.010 0.000 1.257 1475 G CA 1.606 46.703 45.100 -0.004 0.000 0.956 1475 G HN 2.066 nan 8.290 nan 0.000 0.560 1476 T N -0.587 113.945 114.554 -0.037 0.000 2.946 1476 T HA 0.064 4.414 4.350 -0.000 0.000 0.270 1476 T C 2.236 176.872 174.700 -0.107 0.000 1.129 1476 T CA 1.902 63.964 62.100 -0.063 0.000 1.103 1476 T CB -0.496 68.280 68.868 -0.152 0.000 0.839 1476 T HN 1.719 nan 8.240 nan 0.000 0.544 1477 G N 0.703 109.448 108.800 -0.092 0.000 2.683 1477 G HA2 0.117 4.077 3.960 -0.000 0.000 0.213 1477 G HA3 0.117 4.077 3.960 -0.000 0.000 0.213 1477 G C 0.593 175.464 174.900 -0.049 0.000 1.142 1477 G CA -0.374 44.672 45.100 -0.090 0.000 0.793 1477 G HN 0.499 nan 8.290 nan 0.000 0.534 1478 S N 1.620 117.314 115.700 -0.010 0.000 2.544 1478 S HA 0.046 4.516 4.470 -0.000 0.000 0.290 1478 S C 0.996 175.612 174.600 0.026 0.000 1.276 1478 S CA -0.324 57.899 58.200 0.038 0.000 1.075 1478 S CB 0.730 63.996 63.200 0.110 0.000 0.849 1478 S HN 0.307 nan 8.310 nan 0.000 0.494 1479 D N 2.080 122.498 120.400 0.031 0.000 2.271 1479 D HA -0.169 4.471 4.640 -0.000 0.000 0.207 1479 D C 1.181 177.488 176.300 0.011 0.000 0.983 1479 D CA 0.889 54.891 54.000 0.003 0.000 0.878 1479 D CB -0.155 40.661 40.800 0.027 0.000 0.920 1479 D HN 0.669 nan 8.370 nan 0.000 0.479 1480 F N 1.134 121.073 119.950 -0.019 0.000 2.664 1480 F HA -0.023 4.504 4.527 -0.000 0.000 0.297 1480 F C 0.144 175.945 175.800 0.002 0.000 1.164 1480 F CA 0.405 58.414 58.000 0.015 0.000 1.472 1480 F CB 0.331 39.352 39.000 0.036 0.000 1.108 1480 F HN -0.337 nan 8.300 nan 0.000 0.596 1481 V N 0.810 120.590 119.914 -0.224 0.000 2.655 1481 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 1481 V C -0.227 175.542 176.094 -0.542 0.000 1.082 1481 V CA -0.797 61.210 62.300 -0.489 0.000 0.899 1481 V CB 1.988 33.663 31.823 -0.246 0.000 1.014 1481 V HN 0.179 nan 8.190 nan 0.000 0.429 1482 R N 3.024 122.981 120.500 -0.905 0.000 2.622 1482 R HA 0.049 4.389 4.340 -0.000 0.000 0.053 1482 R C -0.770 175.271 176.300 -0.433 0.000 0.529 1482 R CA -0.256 55.529 56.100 -0.526 0.000 0.760 1482 R CB -0.124 30.034 30.300 -0.237 0.000 0.830 1482 R HN 0.620 nan 8.270 nan 0.000 0.614 1483 F N -1.163 118.765 119.950 -0.037 0.000 2.406 1483 F HA 0.363 4.890 4.527 -0.000 0.000 0.327 1483 F C 1.849 177.633 175.800 -0.027 0.000 1.153 1483 F CA -0.346 57.626 58.000 -0.046 0.000 1.218 1483 F CB -0.164 38.792 39.000 -0.072 0.000 1.215 1483 F HN -0.225 nan 8.300 nan 0.000 0.570 1484 T N -0.339 114.343 114.554 0.214 0.000 2.635 1484 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 1484 T C 1.677 176.461 174.700 0.139 0.000 1.040 1484 T CA 2.920 65.092 62.100 0.120 0.000 1.156 1484 T CB -0.992 67.918 68.868 0.069 0.000 0.863 1484 T HN 0.989 nan 8.240 nan 0.000 0.430 1485 Q N -0.760 119.122 119.800 0.136 0.000 2.378 1485 Q HA -0.124 4.216 4.340 -0.000 0.000 0.296 1485 Q C 0.148 176.158 176.000 0.017 0.000 1.209 1485 Q CA 1.109 56.939 55.803 0.046 0.000 0.910 1485 Q CB -2.668 26.162 28.738 0.153 0.000 1.240 1485 Q HN 0.585 nan 8.270 nan 0.000 0.499 1486 V N -1.676 118.244 119.914 0.009 0.000 2.454 1486 V HA 0.838 4.958 4.120 -0.000 0.000 0.267 1486 V C 0.538 176.626 176.094 -0.010 0.000 0.993 1486 V CA -0.195 62.102 62.300 -0.004 0.000 0.836 1486 V CB 0.789 32.613 31.823 0.002 0.000 1.055 1486 V HN 1.178 nan 8.190 nan 0.000 0.452 1487 V N 1.588 121.490 119.914 -0.020 0.000 3.184 1487 V HA 1.024 5.144 4.120 -0.000 0.000 0.308 1487 V C 0.472 176.555 176.094 -0.019 0.000 1.243 1487 V CA 0.234 62.523 62.300 -0.019 0.000 1.058 1487 V CB 2.023 33.831 31.823 -0.025 0.000 1.183 1487 V HN 0.575 nan 8.190 nan 0.000 0.471 1488 D N -2.432 117.957 120.400 -0.017 0.000 2.656 1488 D HA 0.570 5.210 4.640 -0.000 0.000 0.384 1488 D C 0.954 177.245 176.300 -0.014 0.000 1.347 1488 D CA 2.227 56.218 54.000 -0.015 0.000 0.970 1488 D CB -0.233 40.560 40.800 -0.012 0.000 1.549 1488 D HN 2.541 nan 8.370 nan 0.000 0.401 1489 Q N -2.398 117.393 119.800 -0.014 0.000 2.540 1489 Q HA -0.359 3.981 4.340 -0.000 0.000 0.186 1489 Q C 2.508 178.502 176.000 -0.009 0.000 2.876 1489 Q CA 4.630 60.426 55.803 -0.012 0.000 0.213 1489 Q CB -2.518 26.212 28.738 -0.012 0.000 0.199 1489 Q HN 2.197 nan 8.270 nan 0.000 0.403 1490 R N -0.408 120.087 120.500 -0.008 0.000 2.064 1490 R HA 0.307 4.647 4.340 -0.000 0.000 0.228 1490 R C 3.088 179.384 176.300 -0.006 0.000 1.144 1490 R CA 3.214 59.310 56.100 -0.006 0.000 0.932 1490 R CB -1.965 28.332 30.300 -0.006 0.000 0.833 1490 R HN 2.165 nan 8.270 nan 0.000 0.429 1491 T N -0.110 114.440 114.554 -0.006 0.000 3.228 1491 T HA 0.447 4.796 4.350 -0.000 0.000 0.261 1491 T C 1.986 176.682 174.700 -0.006 0.000 1.171 1491 T CA 1.778 63.875 62.100 -0.005 0.000 1.056 1491 T CB -0.725 68.140 68.868 -0.006 0.000 0.938 1491 T HN 0.797 nan 8.240 nan 0.000 0.539 1492 L N -0.847 120.372 121.223 -0.007 0.000 2.425 1492 L HA 0.674 5.014 4.340 -0.000 0.000 0.215 1492 L C 2.967 179.834 176.870 -0.005 0.000 1.065 1492 L CA 1.370 56.206 54.840 -0.007 0.000 0.842 1492 L CB -1.454 40.599 42.059 -0.010 0.000 1.033 1492 L HN 0.568 nan 8.230 nan 0.000 0.474 1493 K N 0.086 120.483 120.400 -0.005 0.000 2.062 1493 K HA 0.291 4.611 4.320 -0.000 0.000 0.205 1493 K C 2.509 179.107 176.600 -0.003 0.000 1.051 1493 K CA 1.828 58.112 56.287 -0.004 0.000 0.941 1493 K CB -1.284 31.214 32.500 -0.004 0.000 0.719 1493 K HN 1.093 nan 8.250 nan 0.000 0.440 1494 A N 0.991 123.809 122.820 -0.003 0.000 1.940 1494 A HA 0.113 4.433 4.320 -0.000 0.000 0.219 1494 A C 2.594 180.178 177.584 -0.001 0.000 1.176 1494 A CA 2.388 54.424 52.037 -0.002 0.000 0.631 1494 A CB -0.894 18.105 19.000 -0.002 0.000 0.814 1494 A HN 1.196 nan 8.150 nan 0.000 0.446 1495 I N -1.376 119.193 120.570 -0.001 0.000 3.646 1495 I HA 0.504 4.674 4.170 -0.000 0.000 0.301 1495 I C 0.985 177.101 176.117 -0.000 0.000 1.276 1495 I CA 1.556 62.856 61.300 -0.001 0.000 1.254 1495 I CB -1.988 36.011 38.000 -0.001 0.000 1.020 1495 I HN 0.729 nan 8.210 nan 0.000 0.473 1496 E N 0.000 120.199 120.200 -0.001 0.000 2.725 1496 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1496 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 1496 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 1496 E HN 0.000 nan 8.360 nan 0.000 0.440