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 1tr2_1_A DATA FIRST_RESID 2 DATA SEQUENCE PVFHTRTIES ILEPVAQQIS HLVIXHEEGE VDGKAIPDLT APVAAVQAAV DATA SEQUENCE SNLVRVGKET VQTTEDQILK RDXPPAFIKV ENACTKLVQA AQXLQSDPYS DATA SEQUENCE VPARDYLIDG SRGILSGTSD LLLTFDEAEV RKIIRVCKGI LEYLTVAEVV DATA SEQUENCE ETXEDLVTYT KNLGPGXTKX AKXIDERQQE LTHQEHRVXL VNSXNTVKEL DATA SEQUENCE LPVLISAXKI FVTTKNSKNQ GIEEALKNRN FTVEKXSAEI NEIIRVLQLT DATA SEQUENCE SWDEDAWASK DTEAXKRALA SIDSKLNQAK GWLRDPSASP GDAGEQAIRQ DATA SEQUENCE ILDEAGKVGE LCAGKERREI LGTCKXLGQX TDQVADLRAR GQGSSPVAXQ DATA SEQUENCE KAQQVSQGLD VLTAKVENAA RKLEAXTNSK QSIAKKIDAA QNWLADPNGG DATA SEQUENCE PEGEEQIRGA LAEARKIAEL CDDPKERDDI LRSLGEISAL TSKLADLRRQ DATA SEQUENCE GKGDSPEARA LAKQVATALQ NLQTKTNRAV ANSRPAKAAV HLEGKIEQAQ DATA SEQUENCE RWIDNPTVDD RGVGQAAIRG LVAEGHRLAN VXXGPYRQDL LAKCDRVDQL DATA SEQUENCE TAQLADLAAR GEGESPQARA LASQLQDSLK DLKARXQEAX TQEVSDVFSD DATA SEQUENCE TTTPIKLLAV AATAPPDAPN REEVFDERAA NFENHSGKLG ATAEKAAAVG DATA SEQUENCE TANKSTVEGI QASVKTAREL TPQVVSAARI LLRNPGNQAA YEHFETXKNQ DATA SEQUENCE WIDNVEKXTG LVDEAIDTKS LLDASEEAIK KDLDKCKVAX ANIQPQXLVA DATA SEQUENCE GATSIARRAN RILLVAKREV ENSEDPKFRE AVKAASDELS KTISPXVXDA DATA SEQUENCE KAVAGNISDP GLQKSFLDSG YRILGAVAKV REAFQPQEPD FPXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXPPEEK DEEFPEQKAG EVINQPXXXA DATA SEQUENCE ARQLHDEARK WSSKGNDIIA AAKRXALLXA EXSRLVRGGS GTKRALIQCA DATA SEQUENCE KDIAKASDEV TRLAKEVAKQ CTDKRIRTNL LQVCERIPTI STQLKILSTV DATA SEQUENCE KATXLGRTNI SDEESEQATE XLVHNAQNLX QSVKETVREA EAASIKIRTD DATA SEQUENCE AGFTLRWVRK 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 176.852 177.300 -0.746 0.000 1.155 2 P CA 0.000 62.891 63.100 -0.348 0.000 0.800 2 P CB 0.000 31.583 31.700 -0.195 0.000 0.726 3 V N 2.315 121.781 119.914 -0.746 0.000 2.588 3 V HA 0.647 4.766 4.120 -0.001 0.000 0.304 3 V C -0.778 174.954 176.094 -0.604 0.000 1.042 3 V CA -0.388 61.504 62.300 -0.680 0.000 0.877 3 V CB 1.420 33.073 31.823 -0.283 0.000 0.996 3 V HN 0.573 nan 8.190 nan 0.000 0.425 4 F N 4.540 124.539 119.950 0.080 0.000 2.671 4 F HA 0.323 4.850 4.527 -0.001 0.000 0.384 4 F C 1.465 177.272 175.800 0.012 0.000 1.351 4 F CA -0.663 57.353 58.000 0.027 0.000 1.151 4 F CB -0.603 38.367 39.000 -0.049 0.000 1.147 4 F HN 0.727 nan 8.300 nan 0.000 0.513 5 H N -0.176 118.965 119.070 0.118 0.000 2.489 5 H HA -0.002 4.553 4.556 -0.001 0.000 0.295 5 H C 0.430 175.826 175.328 0.114 0.000 1.082 5 H CA 1.497 57.661 56.048 0.193 0.000 1.295 5 H CB -0.893 28.946 29.762 0.128 0.000 1.380 5 H HN 0.361 nan 8.280 nan 0.000 0.548 6 T N -2.895 111.382 114.554 -0.461 0.000 2.940 6 T HA 0.443 4.792 4.350 -0.001 0.000 0.288 6 T C 1.186 175.790 174.700 -0.160 0.000 1.045 6 T CA -1.095 60.812 62.100 -0.322 0.000 1.018 6 T CB 2.840 71.457 68.868 -0.419 0.000 1.151 6 T HN -0.022 nan 8.240 nan 0.000 0.529 7 R N 0.279 120.705 120.500 -0.122 0.000 2.073 7 R HA -0.004 4.336 4.340 -0.001 0.000 0.229 7 R C 2.462 178.716 176.300 -0.078 0.000 1.120 7 R CA 1.583 57.630 56.100 -0.088 0.000 0.967 7 R CB -1.419 28.837 30.300 -0.074 0.000 0.862 7 R HN 0.814 nan 8.270 nan 0.000 0.436 8 T N 1.950 116.452 114.554 -0.087 0.000 2.684 8 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 8 T C 2.057 176.718 174.700 -0.065 0.000 1.036 8 T CA 1.298 63.349 62.100 -0.081 0.000 1.148 8 T CB -0.198 68.612 68.868 -0.096 0.000 0.863 8 T HN 0.139 nan 8.240 nan 0.000 0.436 9 I N 1.179 121.713 120.570 -0.060 0.000 2.142 9 I HA -0.205 3.964 4.170 -0.001 0.000 0.240 9 I C 2.886 179.025 176.117 0.036 0.000 1.078 9 I CA 1.698 62.996 61.300 -0.003 0.000 1.343 9 I CB -0.486 37.527 38.000 0.022 0.000 1.046 9 I HN 0.427 nan 8.210 nan 0.000 0.405 10 E N 1.010 121.230 120.200 0.033 0.000 2.118 10 E HA -0.290 4.059 4.350 -0.001 0.000 0.195 10 E C 2.191 178.780 176.600 -0.019 0.000 0.992 10 E CA 1.854 58.262 56.400 0.013 0.000 0.804 10 E CB -0.210 29.459 29.700 -0.051 0.000 0.741 10 E HN 0.428 nan 8.360 nan 0.000 0.458 11 S N 0.324 116.005 115.700 -0.033 0.000 2.399 11 S HA -0.112 4.357 4.470 -0.001 0.000 0.231 11 S C 1.973 176.557 174.600 -0.027 0.000 1.022 11 S CA 1.226 59.404 58.200 -0.037 0.000 0.983 11 S CB -0.381 62.791 63.200 -0.046 0.000 0.803 11 S HN 0.460 nan 8.310 nan 0.000 0.480 12 I N 0.181 120.739 120.570 -0.021 0.000 3.035 12 I HA 0.095 4.264 4.170 -0.001 0.000 0.271 12 I C 1.733 177.855 176.117 0.008 0.000 1.190 12 I CA 0.224 61.515 61.300 -0.015 0.000 1.472 12 I CB -0.093 37.888 38.000 -0.033 0.000 1.116 12 I HN 0.290 nan 8.210 nan 0.000 0.443 13 L N 0.516 121.756 121.223 0.028 0.000 2.375 13 L HA 0.034 4.374 4.340 -0.001 0.000 0.215 13 L C 2.431 179.318 176.870 0.028 0.000 1.108 13 L CA 1.225 56.095 54.840 0.049 0.000 0.830 13 L CB -0.928 41.197 42.059 0.109 0.000 0.959 13 L HN 0.198 nan 8.230 nan 0.000 0.457 14 E N 0.825 121.027 120.200 0.003 0.000 2.023 14 E HA -0.173 4.176 4.350 -0.001 0.000 0.196 14 E C -0.444 176.150 176.600 -0.009 0.000 1.003 14 E CA 1.701 58.089 56.400 -0.020 0.000 0.809 14 E CB -1.015 28.663 29.700 -0.037 0.000 0.755 14 E HN 0.273 nan 8.360 nan 0.000 0.449 15 P HA -0.109 nan 4.420 nan 0.000 0.214 15 P C 1.969 179.282 177.300 0.021 0.000 1.163 15 P CA 1.016 64.123 63.100 0.012 0.000 0.883 15 P CB -0.165 31.541 31.700 0.010 0.000 0.788 16 V N 1.152 121.079 119.914 0.021 0.000 2.231 16 V HA -0.305 3.815 4.120 -0.001 0.000 0.250 16 V C 2.790 178.897 176.094 0.022 0.000 1.058 16 V CA 2.837 65.153 62.300 0.028 0.000 1.022 16 V CB -1.707 30.134 31.823 0.029 0.000 0.640 16 V HN 0.127 nan 8.190 nan 0.000 0.445 17 A N -1.732 121.097 122.820 0.015 0.000 2.084 17 A HA -0.287 4.032 4.320 -0.001 0.000 0.221 17 A C 2.165 179.729 177.584 -0.034 0.000 1.161 17 A CA 1.925 53.963 52.037 0.002 0.000 0.653 17 A CB -0.458 18.547 19.000 0.009 0.000 0.802 17 A HN 0.616 nan 8.150 nan 0.000 0.457 18 Q N -0.750 119.032 119.800 -0.030 0.000 2.049 18 Q HA -0.179 4.161 4.340 -0.001 0.000 0.198 18 Q C 2.218 178.169 176.000 -0.081 0.000 0.971 18 Q CA 1.764 57.522 55.803 -0.076 0.000 0.833 18 Q CB -0.137 28.599 28.738 -0.004 0.000 0.896 18 Q HN 0.845 nan 8.270 nan 0.000 0.434 19 Q N 0.283 120.125 119.800 0.071 0.000 2.002 19 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 19 Q C 2.181 178.241 176.000 0.100 0.000 0.988 19 Q CA 1.632 57.540 55.803 0.175 0.000 0.843 19 Q CB -0.169 28.634 28.738 0.109 0.000 0.908 19 Q HN 0.371 nan 8.270 nan 0.000 0.420 20 I N 0.720 121.312 120.570 0.037 0.000 2.248 20 I HA -0.338 3.831 4.170 -0.001 0.000 0.248 20 I C 2.534 178.637 176.117 -0.023 0.000 1.107 20 I CA 1.342 62.653 61.300 0.018 0.000 1.373 20 I CB -0.759 37.246 38.000 0.008 0.000 1.055 20 I HN 0.309 nan 8.210 nan 0.000 0.418 21 S N 0.497 116.135 115.700 -0.104 0.000 2.387 21 S HA -0.267 4.202 4.470 -0.001 0.000 0.230 21 S C 1.991 176.488 174.600 -0.172 0.000 1.035 21 S CA 1.446 59.536 58.200 -0.182 0.000 1.014 21 S CB -0.625 62.393 63.200 -0.303 0.000 0.836 21 S HN 0.494 nan 8.310 nan 0.000 0.466 22 H N 1.210 120.288 119.070 0.013 0.000 2.436 22 H HA 0.240 4.795 4.556 -0.001 0.000 0.294 22 H C 2.051 177.394 175.328 0.025 0.000 1.048 22 H CA 1.219 57.277 56.048 0.017 0.000 1.353 22 H CB -0.286 29.484 29.762 0.014 0.000 1.414 22 H HN 0.408 nan 8.280 nan 0.000 0.536 23 L N 0.598 121.902 121.223 0.135 0.000 2.465 23 L HA -0.045 4.294 4.340 -0.001 0.000 0.224 23 L C 2.038 178.964 176.870 0.093 0.000 1.145 23 L CA 0.305 55.207 54.840 0.103 0.000 0.834 23 L CB 0.025 42.134 42.059 0.084 0.000 0.944 23 L HN 0.074 nan 8.230 nan 0.000 0.451 24 V N -0.165 119.781 119.914 0.054 0.000 2.685 24 V HA -0.006 4.113 4.120 -0.001 0.000 0.244 24 V C 1.548 177.682 176.094 0.067 0.000 1.054 24 V CA 0.153 62.466 62.300 0.022 0.000 1.076 24 V CB 0.019 31.818 31.823 -0.040 0.000 0.725 24 V HN 0.175 nan 8.190 nan 0.000 0.467 28 E N 1.194 121.558 120.200 0.273 0.000 2.415 28 E HA 0.078 4.428 4.350 -0.001 0.000 0.197 28 E C 1.511 178.173 176.600 0.103 0.000 1.007 28 E CA 0.374 56.891 56.400 0.195 0.000 0.890 28 E CB 0.423 30.203 29.700 0.135 0.000 0.891 28 E HN 0.427 nan 8.360 nan 0.000 0.496 29 E N -1.057 119.195 120.200 0.086 0.000 2.427 29 E HA -0.001 4.348 4.350 -0.001 0.000 0.196 29 E C 1.246 177.876 176.600 0.049 0.000 1.028 29 E CA 0.734 57.169 56.400 0.059 0.000 0.864 29 E CB 0.278 30.010 29.700 0.054 0.000 0.813 29 E HN 0.375 nan 8.360 nan 0.000 0.514 30 G N 0.326 109.149 108.800 0.039 0.000 2.748 30 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.204 30 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.204 30 G C 1.225 176.137 174.900 0.020 0.000 1.095 30 G CA 0.157 45.275 45.100 0.029 0.000 0.775 30 G HN 0.218 nan 8.290 nan 0.000 0.531 31 E N 0.655 120.860 120.200 0.008 0.000 2.152 31 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 31 E C 1.970 178.591 176.600 0.034 0.000 0.983 31 E CA 1.822 58.229 56.400 0.011 0.000 0.818 31 E CB 0.084 29.808 29.700 0.040 0.000 0.758 31 E HN 0.306 nan 8.360 nan 0.000 0.467 32 V N -1.993 117.946 119.914 0.043 0.000 3.350 32 V HA 0.191 4.311 4.120 -0.001 0.000 0.246 32 V C 0.936 177.048 176.094 0.032 0.000 1.363 32 V CA 0.102 62.424 62.300 0.036 0.000 1.162 32 V CB -0.124 31.723 31.823 0.040 0.000 0.947 32 V HN -0.017 nan 8.190 nan 0.000 0.454 33 D N 1.833 122.255 120.400 0.037 0.000 1.889 33 D HA 0.346 4.986 4.640 -0.001 0.000 0.278 33 D C 1.318 177.637 176.300 0.032 0.000 1.077 33 D CA 1.541 55.561 54.000 0.034 0.000 0.968 33 D CB -0.380 40.444 40.800 0.039 0.000 1.201 33 D HN 0.338 nan 8.370 nan 0.000 0.448 34 G N -1.157 107.666 108.800 0.039 0.000 3.110 34 G HA2 0.229 4.189 3.960 -0.001 0.000 0.207 34 G HA3 0.229 4.189 3.960 -0.001 0.000 0.207 34 G C -0.925 174.022 174.900 0.078 0.000 1.841 34 G CA -0.472 44.651 45.100 0.039 0.000 0.751 34 G HN 0.218 nan 8.290 nan 0.000 0.771 35 K N 1.694 122.152 120.400 0.097 0.000 2.477 35 K HA 0.405 4.724 4.320 -0.001 0.000 0.275 35 K C 0.526 177.234 176.600 0.180 0.000 1.054 35 K CA 0.522 56.921 56.287 0.187 0.000 1.135 35 K CB 0.093 32.672 32.500 0.132 0.000 0.854 35 K HN 0.531 nan 8.250 nan 0.000 0.484 36 A N 3.590 126.593 122.820 0.305 0.000 2.261 36 A HA 0.319 4.638 4.320 -0.001 0.000 0.275 36 A C 0.081 177.617 177.584 -0.079 0.000 1.246 36 A CA -0.627 51.459 52.037 0.081 0.000 0.810 36 A CB -0.062 18.999 19.000 0.102 0.000 1.168 36 A HN 0.650 nan 8.150 nan 0.000 0.506 37 I N 0.825 121.328 120.570 -0.112 0.000 2.932 37 I HA 0.062 4.231 4.170 -0.001 0.000 0.295 37 I C -1.580 174.448 176.117 -0.149 0.000 1.227 37 I CA -0.186 61.053 61.300 -0.103 0.000 1.429 37 I CB -0.239 37.707 38.000 -0.090 0.000 1.339 37 I HN 0.493 nan 8.210 nan 0.000 0.589 38 P HA 0.305 nan 4.420 nan 0.000 0.346 38 P C -1.509 175.742 177.300 -0.081 0.000 1.325 38 P CA -0.464 62.582 63.100 -0.089 0.000 0.803 38 P CB 0.310 31.981 31.700 -0.049 0.000 1.856 39 D N -0.321 120.045 120.400 -0.057 0.000 2.233 39 D HA 0.432 5.071 4.640 -0.001 0.000 0.240 39 D C -0.371 175.912 176.300 -0.029 0.000 1.074 39 D CA -0.415 53.558 54.000 -0.046 0.000 0.838 39 D CB 0.413 41.189 40.800 -0.040 0.000 1.124 39 D HN 0.188 nan 8.370 nan 0.000 0.475 40 L N -0.301 120.910 121.223 -0.021 0.000 2.783 40 L HA 0.379 4.718 4.340 -0.001 0.000 0.265 40 L C 0.303 177.172 176.870 -0.002 0.000 1.398 40 L CA -0.776 54.059 54.840 -0.008 0.000 0.802 40 L CB 0.353 42.414 42.059 0.004 0.000 1.126 40 L HN 0.207 nan 8.230 nan 0.000 0.529 41 T N -1.219 113.332 114.554 -0.006 0.000 2.904 41 T HA 0.018 4.367 4.350 -0.001 0.000 0.267 41 T C 1.931 176.632 174.700 0.002 0.000 1.059 41 T CA 1.380 63.479 62.100 -0.001 0.000 1.137 41 T CB 0.424 69.289 68.868 -0.005 0.000 0.879 41 T HN 0.570 nan 8.240 nan 0.000 0.467 42 A N 2.400 125.219 122.820 -0.002 0.000 1.861 42 A HA 0.196 4.516 4.320 -0.001 0.000 0.212 42 A C 0.195 177.781 177.584 0.002 0.000 1.199 42 A CA 0.312 52.348 52.037 -0.002 0.000 0.613 42 A CB -1.260 17.735 19.000 -0.009 0.000 0.846 42 A HN 0.364 nan 8.150 nan 0.000 0.446 43 P HA -0.133 nan 4.420 nan 0.000 0.212 43 P C 1.400 178.715 177.300 0.025 0.000 1.178 43 P CA 1.877 64.983 63.100 0.011 0.000 0.915 43 P CB -0.471 31.237 31.700 0.013 0.000 0.788 44 V N -0.360 119.570 119.914 0.027 0.000 3.186 44 V HA -0.101 4.019 4.120 -0.001 0.000 0.270 44 V C 2.500 178.612 176.094 0.030 0.000 1.149 44 V CA 1.659 63.979 62.300 0.034 0.000 1.160 44 V CB -1.896 29.949 31.823 0.037 0.000 0.758 44 V HN 0.126 nan 8.190 nan 0.000 0.516 45 A N -0.185 122.648 122.820 0.022 0.000 2.095 45 A HA 0.403 4.722 4.320 -0.001 0.000 0.212 45 A C 2.326 179.922 177.584 0.020 0.000 1.162 45 A CA 1.084 53.132 52.037 0.019 0.000 0.753 45 A CB -0.232 18.776 19.000 0.012 0.000 0.840 45 A HN 0.493 nan 8.150 nan 0.000 0.468 46 A N 0.131 122.963 122.820 0.021 0.000 1.854 46 A HA 0.016 4.335 4.320 -0.001 0.000 0.214 46 A C 2.056 179.657 177.584 0.028 0.000 1.192 46 A CA 1.713 53.763 52.037 0.021 0.000 0.611 46 A CB -1.112 17.901 19.000 0.021 0.000 0.832 46 A HN 0.598 nan 8.150 nan 0.000 0.442 47 V N 0.203 120.138 119.914 0.035 0.000 2.660 47 V HA -0.353 3.766 4.120 -0.001 0.000 0.257 47 V C 2.530 178.646 176.094 0.036 0.000 1.088 47 V CA 2.360 64.683 62.300 0.038 0.000 1.106 47 V CB -1.310 30.539 31.823 0.043 0.000 0.686 47 V HN 0.737 nan 8.190 nan 0.000 0.481 48 Q N 0.655 120.475 119.800 0.033 0.000 1.965 48 Q HA -0.142 4.197 4.340 -0.001 0.000 0.200 48 Q C 2.366 178.384 176.000 0.031 0.000 0.981 48 Q CA 1.941 57.763 55.803 0.032 0.000 0.834 48 Q CB -0.445 28.309 28.738 0.028 0.000 0.900 48 Q HN 0.572 nan 8.270 nan 0.000 0.426 49 A N 0.837 123.672 122.820 0.025 0.000 1.948 49 A HA -0.212 4.108 4.320 -0.001 0.000 0.220 49 A C 2.180 179.778 177.584 0.024 0.000 1.177 49 A CA 1.895 53.945 52.037 0.022 0.000 0.636 49 A CB -1.213 17.796 19.000 0.016 0.000 0.815 49 A HN 0.592 nan 8.150 nan 0.000 0.449 50 A N -0.030 122.805 122.820 0.025 0.000 1.830 50 A HA -0.068 4.251 4.320 -0.001 0.000 0.214 50 A C 2.303 179.906 177.584 0.031 0.000 1.218 50 A CA 2.826 54.877 52.037 0.024 0.000 0.628 50 A CB -1.537 17.479 19.000 0.026 0.000 0.860 50 A HN 1.275 nan 8.150 nan 0.000 0.454 51 V N -0.925 119.013 119.914 0.039 0.000 2.828 51 V HA -0.185 3.935 4.120 -0.001 0.000 0.260 51 V C 2.352 178.484 176.094 0.065 0.000 1.101 51 V CA 2.652 64.984 62.300 0.053 0.000 1.123 51 V CB -1.501 30.354 31.823 0.055 0.000 0.704 51 V HN 0.772 nan 8.190 nan 0.000 0.493 52 S N 1.407 117.138 115.700 0.052 0.000 2.349 52 S HA -0.308 4.161 4.470 -0.001 0.000 0.216 52 S C 2.064 176.700 174.600 0.060 0.000 1.033 52 S CA 1.992 60.224 58.200 0.053 0.000 1.021 52 S CB -0.998 62.225 63.200 0.038 0.000 0.968 52 S HN 0.691 nan 8.310 nan 0.000 0.426 53 N N 1.337 120.064 118.700 0.046 0.000 2.149 53 N HA -0.071 4.668 4.740 -0.001 0.000 0.188 53 N C 1.882 177.431 175.510 0.065 0.000 1.019 53 N CA 1.315 54.391 53.050 0.044 0.000 0.857 53 N CB -0.576 37.925 38.487 0.023 0.000 0.997 53 N HN 0.416 nan 8.380 nan 0.000 0.426 54 L N 1.074 122.336 121.223 0.066 0.000 1.956 54 L HA -0.209 4.130 4.340 -0.001 0.000 0.216 54 L C 2.239 179.222 176.870 0.188 0.000 1.073 54 L CA 1.543 56.438 54.840 0.091 0.000 0.762 54 L CB -0.688 41.417 42.059 0.077 0.000 0.889 54 L HN -0.021 nan 8.230 nan 0.000 0.433 55 V N 0.114 120.145 119.914 0.196 0.000 2.380 55 V HA -0.342 3.777 4.120 -0.001 0.000 0.251 55 V C 2.701 178.962 176.094 0.279 0.000 1.063 55 V CA 2.227 64.711 62.300 0.307 0.000 1.055 55 V CB -0.995 30.971 31.823 0.239 0.000 0.657 55 V HN 0.551 nan 8.190 nan 0.000 0.455 56 R N 1.040 121.635 120.500 0.158 0.000 2.082 56 R HA -0.168 4.172 4.340 -0.001 0.000 0.234 56 R C 2.369 178.748 176.300 0.132 0.000 1.136 56 R CA 2.634 58.796 56.100 0.102 0.000 0.935 56 R CB -0.644 29.694 30.300 0.064 0.000 0.842 56 R HN 0.490 nan 8.270 nan 0.000 0.430 57 V N -0.679 119.325 119.914 0.149 0.000 2.469 57 V HA -0.062 4.057 4.120 -0.001 0.000 0.251 57 V C 2.325 178.591 176.094 0.287 0.000 1.064 57 V CA 1.932 64.330 62.300 0.164 0.000 1.066 57 V CB -1.611 30.275 31.823 0.105 0.000 0.667 57 V HN 0.523 nan 8.190 nan 0.000 0.461 58 G N 0.561 109.619 108.800 0.430 0.000 2.421 58 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.216 58 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.216 58 G C 1.615 176.816 174.900 0.501 0.000 1.171 58 G CA 0.987 46.446 45.100 0.599 0.000 0.775 58 G HN 0.530 nan 8.290 nan 0.000 0.543 59 K N 0.981 121.533 120.400 0.254 0.000 2.032 59 K HA -0.133 4.186 4.320 -0.001 0.000 0.209 59 K C 2.382 178.985 176.600 0.004 0.000 1.048 59 K CA 1.589 57.825 56.287 -0.085 0.000 0.927 59 K CB -0.391 32.000 32.500 -0.182 0.000 0.712 59 K HN 0.564 nan 8.250 nan 0.000 0.441 60 E N 0.402 120.635 120.200 0.055 0.000 2.153 60 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 60 E C 1.923 178.564 176.600 0.070 0.000 0.988 60 E CA 1.168 57.597 56.400 0.049 0.000 0.811 60 E CB -0.279 29.454 29.700 0.055 0.000 0.746 60 E HN 0.200 nan 8.360 nan 0.000 0.466 61 T N 1.216 115.843 114.554 0.122 0.000 2.735 61 T HA -0.102 4.247 4.350 -0.001 0.000 0.256 61 T C 2.222 176.975 174.700 0.088 0.000 1.042 61 T CA 1.592 63.766 62.100 0.123 0.000 1.147 61 T CB -0.189 68.795 68.868 0.193 0.000 0.865 61 T HN 0.123 nan 8.240 nan 0.000 0.421 62 V N 1.481 121.465 119.914 0.117 0.000 2.278 62 V HA -0.302 3.817 4.120 -0.001 0.000 0.251 62 V C 2.455 178.569 176.094 0.034 0.000 1.062 62 V CA 1.815 64.171 62.300 0.092 0.000 1.038 62 V CB -1.176 30.736 31.823 0.149 0.000 0.646 62 V HN 0.451 nan 8.190 nan 0.000 0.447 63 Q N 0.901 120.709 119.800 0.013 0.000 1.993 63 Q HA -0.131 4.208 4.340 -0.001 0.000 0.202 63 Q C 1.794 177.798 176.000 0.006 0.000 0.984 63 Q CA 2.122 57.923 55.803 -0.004 0.000 0.837 63 Q CB -0.506 28.222 28.738 -0.017 0.000 0.902 63 Q HN 0.854 nan 8.270 nan 0.000 0.423 64 T N -0.530 114.034 114.554 0.016 0.000 3.843 64 T HA 0.249 4.599 4.350 -0.001 0.000 0.227 64 T C -0.166 174.547 174.700 0.022 0.000 1.043 64 T CA -0.195 61.914 62.100 0.017 0.000 1.012 64 T CB 0.195 69.074 68.868 0.019 0.000 1.279 64 T HN -0.092 nan 8.240 nan 0.000 0.730 65 T N 0.422 114.986 114.554 0.017 0.000 2.912 65 T HA 0.368 4.718 4.350 -0.001 0.000 0.299 65 T C 0.453 175.157 174.700 0.006 0.000 1.052 65 T CA -0.532 61.578 62.100 0.015 0.000 0.996 65 T CB 2.313 71.192 68.868 0.019 0.000 1.070 65 T HN 0.385 nan 8.240 nan 0.000 0.465 66 E N 2.143 122.347 120.200 0.005 0.000 2.276 66 E HA 0.091 4.440 4.350 -0.001 0.000 0.193 66 E C 0.165 176.763 176.600 -0.004 0.000 0.983 66 E CA 0.216 56.616 56.400 0.000 0.000 0.861 66 E CB 0.242 29.943 29.700 0.002 0.000 0.817 66 E HN 0.681 nan 8.360 nan 0.000 0.485 67 D N 0.398 120.796 120.400 -0.003 0.000 2.389 67 D HA -0.055 4.584 4.640 -0.001 0.000 0.263 67 D C 0.827 177.118 176.300 -0.015 0.000 1.255 67 D CA 0.318 54.313 54.000 -0.008 0.000 0.914 67 D CB 0.682 41.477 40.800 -0.008 0.000 1.116 67 D HN 0.123 nan 8.370 nan 0.000 0.502 68 Q N 2.492 122.281 119.800 -0.018 0.000 2.084 68 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 68 Q C 1.646 177.628 176.000 -0.030 0.000 0.978 68 Q CA 1.129 56.917 55.803 -0.025 0.000 0.844 68 Q CB 0.056 28.776 28.738 -0.031 0.000 0.898 68 Q HN 0.682 nan 8.270 nan 0.000 0.426 69 I N 0.181 120.734 120.570 -0.028 0.000 2.493 69 I HA -0.228 3.942 4.170 -0.001 0.000 0.254 69 I C 2.112 178.200 176.117 -0.048 0.000 1.160 69 I CA 0.910 62.189 61.300 -0.034 0.000 1.445 69 I CB -0.421 37.562 38.000 -0.027 0.000 1.086 69 I HN 0.178 nan 8.210 nan 0.000 0.433 70 L N 0.176 121.370 121.223 -0.049 0.000 2.131 70 L HA -0.055 4.285 4.340 -0.001 0.000 0.206 70 L C 2.460 179.301 176.870 -0.050 0.000 1.087 70 L CA 1.305 56.100 54.840 -0.074 0.000 0.767 70 L CB -0.326 41.692 42.059 -0.067 0.000 0.917 70 L HN 0.030 nan 8.230 nan 0.000 0.441 71 K N 0.339 120.724 120.400 -0.024 0.000 2.032 71 K HA -0.229 4.091 4.320 -0.001 0.000 0.209 71 K C 2.218 178.817 176.600 -0.002 0.000 1.048 71 K CA 2.382 58.667 56.287 -0.004 0.000 0.927 71 K CB -0.136 32.358 32.500 -0.011 0.000 0.712 71 K HN 0.527 nan 8.250 nan 0.000 0.441 72 R N 0.770 121.257 120.500 -0.022 0.000 2.062 72 R HA 0.034 4.373 4.340 -0.001 0.000 0.226 72 R C 0.850 177.131 176.300 -0.032 0.000 1.125 72 R CA 0.739 56.825 56.100 -0.023 0.000 0.966 72 R CB -0.490 29.790 30.300 -0.034 0.000 0.861 72 R HN 0.036 nan 8.270 nan 0.000 0.433 76 P HA -0.155 nan 4.420 nan 0.000 0.217 76 P C 1.251 178.542 177.300 -0.014 0.000 1.148 76 P CA 2.294 65.409 63.100 0.025 0.000 0.828 76 P CB -0.279 31.411 31.700 -0.017 0.000 0.783 77 A N -0.876 121.862 122.820 -0.137 0.000 1.845 77 A HA -0.182 4.137 4.320 -0.001 0.000 0.215 77 A C 1.963 179.462 177.584 -0.142 0.000 1.195 77 A CA 1.544 53.448 52.037 -0.222 0.000 0.616 77 A CB -1.779 16.972 19.000 -0.415 0.000 0.832 77 A HN 0.083 nan 8.150 nan 0.000 0.443 78 F N -0.004 119.939 119.950 -0.013 0.000 2.065 78 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 78 F C 2.085 177.886 175.800 0.003 0.000 1.112 78 F CA 1.321 59.324 58.000 0.004 0.000 1.212 78 F CB -1.018 37.982 39.000 -0.000 0.000 0.975 78 F HN 0.092 nan 8.300 nan 0.000 0.476 79 I N 0.428 121.148 120.570 0.250 0.000 2.143 79 I HA -0.354 3.815 4.170 -0.001 0.000 0.245 79 I C 2.314 178.475 176.117 0.074 0.000 1.068 79 I CA 1.371 62.746 61.300 0.126 0.000 1.326 79 I CB -0.936 37.120 38.000 0.093 0.000 1.028 79 I HN 0.098 nan 8.210 nan 0.000 0.412 80 K N -0.017 120.413 120.400 0.050 0.000 2.000 80 K HA -0.235 4.085 4.320 -0.001 0.000 0.218 80 K C 2.113 178.732 176.600 0.032 0.000 1.053 80 K CA 2.630 58.932 56.287 0.024 0.000 0.946 80 K CB -0.565 31.936 32.500 0.001 0.000 0.723 80 K HN 0.408 nan 8.250 nan 0.000 0.446 81 V N -1.003 118.937 119.914 0.044 0.000 2.407 81 V HA -0.211 3.909 4.120 -0.001 0.000 0.248 81 V C 1.887 178.014 176.094 0.055 0.000 1.055 81 V CA 1.812 64.141 62.300 0.049 0.000 1.049 81 V CB -0.651 31.207 31.823 0.058 0.000 0.662 81 V HN 0.227 nan 8.190 nan 0.000 0.455 82 E N 2.000 122.240 120.200 0.068 0.000 2.033 82 E HA -0.225 4.124 4.350 -0.001 0.000 0.199 82 E C 2.161 178.783 176.600 0.038 0.000 1.011 82 E CA 2.249 58.683 56.400 0.057 0.000 0.815 82 E CB -0.344 29.392 29.700 0.060 0.000 0.755 82 E HN 0.799 nan 8.360 nan 0.000 0.451 83 N N 0.462 119.180 118.700 0.030 0.000 2.149 83 N HA -0.180 4.559 4.740 -0.001 0.000 0.188 83 N C 1.596 177.112 175.510 0.011 0.000 1.019 83 N CA 1.383 54.441 53.050 0.013 0.000 0.857 83 N CB -0.636 37.853 38.487 0.003 0.000 0.997 83 N HN 0.199 nan 8.380 nan 0.000 0.426 84 A N 0.845 123.677 122.820 0.019 0.000 1.969 84 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 84 A C 2.570 180.174 177.584 0.033 0.000 1.169 84 A CA 1.519 53.569 52.037 0.021 0.000 0.635 84 A CB -0.802 18.213 19.000 0.024 0.000 0.810 84 A HN 0.635 nan 8.150 nan 0.000 0.445 85 C N -2.534 116.789 119.300 0.037 0.000 2.527 85 C HA 0.121 4.580 4.460 -0.001 0.000 0.280 85 C C 2.504 177.522 174.990 0.046 0.000 1.353 85 C CA 1.027 60.071 59.018 0.044 0.000 1.749 85 C CB -1.209 26.558 27.740 0.044 0.000 2.088 85 C HN 0.637 nan 8.230 nan 0.000 0.508 86 T N -0.888 113.689 114.554 0.039 0.000 3.215 86 T HA -0.002 4.347 4.350 -0.001 0.000 0.254 86 T C 1.324 176.053 174.700 0.048 0.000 1.149 86 T CA 1.222 63.346 62.100 0.041 0.000 1.042 86 T CB -0.472 68.415 68.868 0.031 0.000 0.966 86 T HN 0.799 nan 8.240 nan 0.000 0.534 87 K N -0.396 120.033 120.400 0.048 0.000 2.380 87 K HA 0.403 4.722 4.320 -0.001 0.000 0.198 87 K C 1.479 178.159 176.600 0.133 0.000 1.070 87 K CA -0.079 56.240 56.287 0.054 0.000 1.040 87 K CB 0.156 32.646 32.500 -0.018 0.000 0.903 87 K HN 0.281 nan 8.250 nan 0.000 0.549 88 L N 0.163 121.448 121.223 0.102 0.000 2.470 88 L HA 0.158 4.497 4.340 -0.001 0.000 0.219 88 L C 1.620 178.543 176.870 0.088 0.000 1.071 88 L CA 0.139 55.042 54.840 0.105 0.000 0.850 88 L CB 0.734 42.839 42.059 0.078 0.000 1.040 88 L HN -0.062 nan 8.230 nan 0.000 0.475 89 V N -0.768 119.191 119.914 0.076 0.000 2.548 89 V HA -0.174 3.945 4.120 -0.001 0.000 0.249 89 V C 2.325 178.459 176.094 0.067 0.000 1.055 89 V CA 1.093 63.428 62.300 0.058 0.000 1.065 89 V CB -0.310 31.541 31.823 0.048 0.000 0.681 89 V HN 0.396 nan 8.190 nan 0.000 0.462 90 Q N 0.378 120.243 119.800 0.108 0.000 2.033 90 Q HA 0.078 4.417 4.340 -0.001 0.000 0.196 90 Q C 2.476 178.541 176.000 0.108 0.000 0.970 90 Q CA 1.804 57.690 55.803 0.138 0.000 0.828 90 Q CB -1.109 27.774 28.738 0.241 0.000 0.895 90 Q HN 0.549 nan 8.270 nan 0.000 0.440 91 A N 1.066 123.994 122.820 0.181 0.000 1.986 91 A HA -0.167 4.153 4.320 -0.001 0.000 0.220 91 A C 2.211 179.784 177.584 -0.018 0.000 1.171 91 A CA 2.165 54.237 52.037 0.058 0.000 0.640 91 A CB -0.701 18.410 19.000 0.186 0.000 0.811 91 A HN 0.350 nan 8.150 nan 0.000 0.451 92 A N -1.300 121.530 122.820 0.017 0.000 2.016 92 A HA 0.095 4.414 4.320 -0.001 0.000 0.217 92 A C 1.485 179.054 177.584 -0.026 0.000 1.162 92 A CA 0.854 52.888 52.037 -0.005 0.000 0.662 92 A CB -0.224 18.783 19.000 0.012 0.000 0.812 92 A HN 0.645 nan 8.150 nan 0.000 0.450 96 Q N -0.350 119.406 119.800 -0.074 0.000 2.250 96 Q HA 0.003 4.343 4.340 -0.001 0.000 0.200 96 Q C 1.615 177.579 176.000 -0.059 0.000 0.941 96 Q CA 1.633 57.399 55.803 -0.061 0.000 0.872 96 Q CB 0.685 29.399 28.738 -0.039 0.000 0.965 96 Q HN 0.470 nan 8.270 nan 0.000 0.480 97 S N 0.745 116.411 115.700 -0.057 0.000 2.310 97 S HA -0.056 4.413 4.470 -0.001 0.000 0.205 97 S C 0.472 175.044 174.600 -0.047 0.000 1.020 97 S CA 0.612 58.786 58.200 -0.043 0.000 0.939 97 S CB -0.083 63.096 63.200 -0.035 0.000 0.919 97 S HN 0.282 nan 8.310 nan 0.000 0.501 98 D N 2.121 122.488 120.400 -0.055 0.000 2.493 98 D HA 0.379 5.018 4.640 -0.001 0.000 0.235 98 D C -2.139 174.097 176.300 -0.107 0.000 1.117 98 D CA -2.548 51.428 54.000 -0.041 0.000 0.930 98 D CB 1.088 41.883 40.800 -0.009 0.000 1.010 98 D HN -0.086 nan 8.370 nan 0.000 0.514 99 P HA -0.178 nan 4.420 nan 0.000 0.216 99 P C 0.536 177.623 177.300 -0.354 0.000 1.150 99 P CA 1.173 64.060 63.100 -0.355 0.000 0.843 99 P CB -0.051 31.303 31.700 -0.577 0.000 0.787 100 Y N -1.113 119.158 120.300 -0.047 0.000 2.553 100 Y HA 0.103 4.652 4.550 -0.001 0.000 0.303 100 Y C 1.242 177.105 175.900 -0.061 0.000 1.194 100 Y CA -0.042 58.028 58.100 -0.051 0.000 1.305 100 Y CB -1.240 37.197 38.460 -0.037 0.000 1.045 100 Y HN -0.136 nan 8.280 nan 0.000 0.514 101 S N 0.822 116.526 115.700 0.007 0.000 2.589 101 S HA 0.037 4.506 4.470 -0.001 0.000 0.306 101 S C 1.385 175.954 174.600 -0.052 0.000 1.221 101 S CA -0.284 57.896 58.200 -0.034 0.000 1.159 101 S CB -0.006 63.137 63.200 -0.095 0.000 0.990 101 S HN 0.261 nan 8.310 nan 0.000 0.514 102 V N 6.227 126.128 119.914 -0.022 0.000 2.358 102 V HA -0.016 4.103 4.120 -0.001 0.000 0.246 102 V C -0.715 175.364 176.094 -0.026 0.000 1.047 102 V CA 0.971 63.256 62.300 -0.025 0.000 1.035 102 V CB -2.094 29.729 31.823 -0.000 0.000 0.658 102 V HN 0.609 nan 8.190 nan 0.000 0.452 103 P HA 0.026 nan 4.420 nan 0.000 0.230 103 P C 1.342 178.584 177.300 -0.096 0.000 1.158 103 P CA 1.599 64.704 63.100 0.007 0.000 0.769 103 P CB -0.044 31.662 31.700 0.009 0.000 0.807 104 A N -0.146 122.541 122.820 -0.222 0.000 1.997 104 A HA 0.035 4.354 4.320 -0.001 0.000 0.212 104 A C 1.801 179.312 177.584 -0.122 0.000 1.178 104 A CA 0.343 52.148 52.037 -0.387 0.000 0.698 104 A CB -0.482 18.316 19.000 -0.338 0.000 0.842 104 A HN 0.037 nan 8.150 nan 0.000 0.458 105 R N 0.191 120.635 120.500 -0.093 0.000 2.541 105 R HA 0.174 4.513 4.340 -0.001 0.000 0.245 105 R C -0.488 175.810 176.300 -0.003 0.000 1.154 105 R CA 0.636 56.653 56.100 -0.139 0.000 1.179 105 R CB -0.161 29.960 30.300 -0.298 0.000 1.189 105 R HN 0.380 nan 8.270 nan 0.000 0.526 106 D N -2.758 117.740 120.400 0.164 0.000 2.460 106 D HA 0.046 4.685 4.640 -0.001 0.000 0.263 106 D C 0.215 176.705 176.300 0.317 0.000 1.209 106 D CA 0.071 54.224 54.000 0.255 0.000 0.818 106 D CB 0.372 41.287 40.800 0.193 0.000 1.239 106 D HN 0.063 nan 8.370 nan 0.000 0.530 107 Y N 0.259 120.601 120.300 0.071 0.000 2.475 107 Y HA 0.166 4.715 4.550 -0.001 0.000 0.289 107 Y C 1.711 177.654 175.900 0.072 0.000 1.121 107 Y CA 0.263 58.397 58.100 0.057 0.000 1.257 107 Y CB -0.010 38.474 38.460 0.040 0.000 1.026 107 Y HN 0.053 nan 8.280 nan 0.000 0.555 108 L N -0.479 120.916 121.223 0.287 0.000 2.056 108 L HA -0.051 4.288 4.340 -0.001 0.000 0.202 108 L C 2.297 179.266 176.870 0.164 0.000 1.086 108 L CA 1.242 56.222 54.840 0.233 0.000 0.758 108 L CB -1.173 41.069 42.059 0.305 0.000 0.912 108 L HN 0.096 nan 8.230 nan 0.000 0.446 109 I N -0.033 120.648 120.570 0.185 0.000 2.145 109 I HA -0.373 3.796 4.170 -0.001 0.000 0.244 109 I C 1.417 177.534 176.117 -0.000 0.000 1.075 109 I CA 2.086 63.346 61.300 -0.065 0.000 1.332 109 I CB -0.217 37.692 38.000 -0.152 0.000 1.033 109 I HN 0.468 nan 8.210 nan 0.000 0.410 110 D N -0.290 120.144 120.400 0.057 0.000 2.349 110 D HA 0.004 4.644 4.640 -0.001 0.000 0.215 110 D C 1.747 178.061 176.300 0.024 0.000 1.016 110 D CA 0.885 54.904 54.000 0.031 0.000 0.870 110 D CB 0.309 41.129 40.800 0.033 0.000 0.917 110 D HN 0.489 nan 8.370 nan 0.000 0.524 111 G N 0.125 108.952 108.800 0.044 0.000 2.833 111 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.210 111 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.210 111 G C 1.663 176.585 174.900 0.037 0.000 1.139 111 G CA -0.059 45.065 45.100 0.040 0.000 0.771 111 G HN 0.103 nan 8.290 nan 0.000 0.535 112 S N 0.906 116.624 115.700 0.030 0.000 2.395 112 S HA -0.066 4.403 4.470 -0.001 0.000 0.225 112 S C 2.235 176.839 174.600 0.008 0.000 1.027 112 S CA 1.156 59.366 58.200 0.016 0.000 0.965 112 S CB -0.052 63.140 63.200 -0.013 0.000 0.812 112 S HN 0.511 nan 8.310 nan 0.000 0.482 113 R N 2.062 122.563 120.500 0.001 0.000 2.115 113 R HA 0.052 4.392 4.340 -0.001 0.000 0.230 113 R C 2.226 178.532 176.300 0.010 0.000 1.111 113 R CA 1.655 57.757 56.100 0.004 0.000 0.976 113 R CB -1.127 29.173 30.300 0.000 0.000 0.870 113 R HN 0.303 nan 8.270 nan 0.000 0.445 114 G N 1.355 110.162 108.800 0.011 0.000 2.418 114 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.217 114 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.217 114 G C 1.437 176.347 174.900 0.017 0.000 1.158 114 G CA 0.931 46.037 45.100 0.011 0.000 0.771 114 G HN 0.456 nan 8.290 nan 0.000 0.545 115 I N 0.254 120.837 120.570 0.023 0.000 2.179 115 I HA -0.121 4.048 4.170 -0.001 0.000 0.242 115 I C 2.516 178.649 176.117 0.027 0.000 1.088 115 I CA 1.165 62.482 61.300 0.028 0.000 1.357 115 I CB -0.104 37.916 38.000 0.033 0.000 1.051 115 I HN 0.172 nan 8.210 nan 0.000 0.409 116 L N 0.263 121.501 121.223 0.026 0.000 1.921 116 L HA -0.227 4.113 4.340 -0.001 0.000 0.219 116 L C 2.696 179.581 176.870 0.023 0.000 1.081 116 L CA 1.992 56.850 54.840 0.030 0.000 0.771 116 L CB -1.228 40.850 42.059 0.032 0.000 0.888 116 L HN 0.252 nan 8.230 nan 0.000 0.433 117 S N 0.370 116.079 115.700 0.014 0.000 2.400 117 S HA -0.235 4.234 4.470 -0.001 0.000 0.234 117 S C 1.935 176.532 174.600 -0.005 0.000 1.049 117 S CA 1.408 59.607 58.200 -0.000 0.000 1.039 117 S CB -1.135 62.063 63.200 -0.004 0.000 0.856 117 S HN 0.668 nan 8.310 nan 0.000 0.465 118 G N 1.625 110.426 108.800 0.002 0.000 2.418 118 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.217 118 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.217 118 G C 1.666 176.566 174.900 0.000 0.000 1.158 118 G CA 1.607 46.706 45.100 -0.002 0.000 0.771 118 G HN 0.662 nan 8.290 nan 0.000 0.545 119 T N -1.289 113.276 114.554 0.019 0.000 2.812 119 T HA -0.111 4.238 4.350 -0.001 0.000 0.264 119 T C 2.510 177.233 174.700 0.038 0.000 1.042 119 T CA 1.863 63.984 62.100 0.035 0.000 1.140 119 T CB -0.518 68.374 68.868 0.041 0.000 0.870 119 T HN 0.270 nan 8.240 nan 0.000 0.445 120 S N 1.809 117.523 115.700 0.023 0.000 2.353 120 S HA -0.213 4.257 4.470 -0.001 0.000 0.222 120 S C 1.886 176.488 174.600 0.003 0.000 1.035 120 S CA 1.724 59.932 58.200 0.013 0.000 1.025 120 S CB -1.010 62.178 63.200 -0.020 0.000 0.902 120 S HN 0.522 nan 8.310 nan 0.000 0.440 121 D N 0.979 121.366 120.400 -0.022 0.000 2.218 121 D HA -0.048 4.591 4.640 -0.001 0.000 0.204 121 D C 1.907 178.168 176.300 -0.065 0.000 0.976 121 D CA 0.651 54.622 54.000 -0.048 0.000 0.853 121 D CB -0.243 40.522 40.800 -0.059 0.000 0.939 121 D HN 0.365 nan 8.370 nan 0.000 0.481 122 L N 0.199 121.397 121.223 -0.042 0.000 2.049 122 L HA -0.119 4.220 4.340 -0.001 0.000 0.203 122 L C 2.189 179.124 176.870 0.108 0.000 1.074 122 L CA 0.598 55.390 54.840 -0.080 0.000 0.749 122 L CB -0.235 41.803 42.059 -0.035 0.000 0.907 122 L HN -0.000 nan 8.230 nan 0.000 0.439 123 L N 0.132 121.516 121.223 0.268 0.000 2.013 123 L HA -0.268 4.071 4.340 -0.001 0.000 0.212 123 L C 2.505 179.575 176.870 0.334 0.000 1.073 123 L CA 1.563 56.645 54.840 0.403 0.000 0.753 123 L CB -1.365 40.784 42.059 0.150 0.000 0.890 123 L HN 0.286 nan 8.230 nan 0.000 0.432 124 L N -0.855 120.458 121.223 0.150 0.000 2.137 124 L HA -0.244 4.095 4.340 -0.001 0.000 0.213 124 L C 2.291 179.192 176.870 0.051 0.000 1.085 124 L CA 2.325 57.222 54.840 0.094 0.000 0.760 124 L CB -1.255 40.801 42.059 -0.006 0.000 0.893 124 L HN 0.374 nan 8.230 nan 0.000 0.434 125 T N -0.867 113.669 114.554 -0.031 0.000 2.777 125 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 125 T C 1.651 176.266 174.700 -0.142 0.000 1.040 125 T CA 1.711 63.708 62.100 -0.170 0.000 1.141 125 T CB -0.543 68.104 68.868 -0.369 0.000 0.868 125 T HN 0.307 nan 8.240 nan 0.000 0.444 126 F N 1.940 121.873 119.950 -0.028 0.000 2.102 126 F HA -0.068 4.459 4.527 -0.001 0.000 0.298 126 F C 2.537 178.342 175.800 0.009 0.000 1.105 126 F CA 1.014 59.008 58.000 -0.010 0.000 1.239 126 F CB -0.546 38.449 39.000 -0.008 0.000 0.991 126 F HN 0.160 nan 8.300 nan 0.000 0.474 127 D N 0.777 121.326 120.400 0.250 0.000 2.092 127 D HA -0.204 4.436 4.640 -0.001 0.000 0.193 127 D C 1.811 178.183 176.300 0.120 0.000 0.994 127 D CA 1.644 55.754 54.000 0.183 0.000 0.828 127 D CB -0.134 40.827 40.800 0.267 0.000 0.963 127 D HN 0.414 nan 8.370 nan 0.000 0.450 128 E N 0.319 120.563 120.200 0.073 0.000 2.219 128 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 128 E C 2.077 178.688 176.600 0.018 0.000 0.998 128 E CA 0.856 57.269 56.400 0.021 0.000 0.818 128 E CB -0.075 29.613 29.700 -0.021 0.000 0.741 128 E HN 0.328 nan 8.360 nan 0.000 0.477 129 A N 1.458 124.293 122.820 0.027 0.000 1.854 129 A HA -0.228 4.091 4.320 -0.001 0.000 0.214 129 A C 2.065 179.672 177.584 0.038 0.000 1.192 129 A CA 1.427 53.478 52.037 0.023 0.000 0.611 129 A CB -0.470 18.546 19.000 0.026 0.000 0.832 129 A HN 0.199 nan 8.150 nan 0.000 0.442 130 E N -0.224 120.013 120.200 0.062 0.000 2.086 130 E HA -0.195 4.154 4.350 -0.001 0.000 0.200 130 E C 1.880 178.504 176.600 0.039 0.000 1.012 130 E CA 1.987 58.420 56.400 0.055 0.000 0.812 130 E CB -0.192 29.548 29.700 0.067 0.000 0.743 130 E HN 0.382 nan 8.360 nan 0.000 0.453 131 V N 0.520 120.460 119.914 0.043 0.000 2.515 131 V HA -0.213 3.906 4.120 -0.001 0.000 0.250 131 V C 2.320 178.423 176.094 0.015 0.000 1.058 131 V CA 1.795 64.113 62.300 0.030 0.000 1.064 131 V CB -0.616 31.227 31.823 0.033 0.000 0.675 131 V HN 0.215 nan 8.190 nan 0.000 0.461 132 R N 0.663 121.171 120.500 0.013 0.000 2.091 132 R HA -0.148 4.192 4.340 -0.001 0.000 0.238 132 R C 2.443 178.747 176.300 0.007 0.000 1.136 132 R CA 1.428 57.532 56.100 0.007 0.000 0.959 132 R CB -0.281 30.021 30.300 0.005 0.000 0.856 132 R HN 0.497 nan 8.270 nan 0.000 0.437 133 K N 0.669 121.076 120.400 0.011 0.000 2.097 133 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 133 K C 2.091 178.694 176.600 0.005 0.000 1.049 133 K CA 1.303 57.595 56.287 0.009 0.000 0.933 133 K CB -0.451 32.056 32.500 0.012 0.000 0.717 133 K HN 0.326 nan 8.250 nan 0.000 0.442 134 I N 1.253 121.827 120.570 0.006 0.000 2.163 134 I HA -0.206 3.964 4.170 -0.001 0.000 0.240 134 I C 2.549 178.666 176.117 -0.000 0.000 1.081 134 I CA 1.157 62.458 61.300 0.002 0.000 1.353 134 I CB -0.682 37.321 38.000 0.005 0.000 1.054 134 I HN -0.048 nan 8.210 nan 0.000 0.407 135 I N 0.839 121.410 120.570 0.000 0.000 2.236 135 I HA -0.316 3.853 4.170 -0.001 0.000 0.249 135 I C 2.886 179.003 176.117 0.000 0.000 1.102 135 I CA 1.574 62.873 61.300 -0.002 0.000 1.365 135 I CB -0.605 37.393 38.000 -0.003 0.000 1.051 135 I HN 0.288 nan 8.210 nan 0.000 0.420 136 R N 0.391 120.893 120.500 0.002 0.000 2.070 136 R HA -0.129 4.210 4.340 -0.001 0.000 0.232 136 R C 2.363 178.664 176.300 0.002 0.000 1.138 136 R CA 1.461 57.563 56.100 0.004 0.000 0.936 136 R CB -0.553 29.750 30.300 0.005 0.000 0.839 136 R HN 0.166 nan 8.270 nan 0.000 0.429 137 V N 0.655 120.568 119.914 -0.003 0.000 2.453 137 V HA -0.377 3.743 4.120 -0.001 0.000 0.252 137 V C 2.455 178.545 176.094 -0.007 0.000 1.068 137 V CA 1.653 63.947 62.300 -0.009 0.000 1.070 137 V CB -0.509 31.306 31.823 -0.014 0.000 0.664 137 V HN 0.523 nan 8.190 nan 0.000 0.461 138 C N -0.286 119.012 119.300 -0.003 0.000 2.473 138 C HA -0.125 4.334 4.460 -0.001 0.000 0.279 138 C C 2.762 177.756 174.990 0.007 0.000 1.250 138 C CA 0.833 59.850 59.018 -0.002 0.000 1.713 138 C CB -0.918 26.819 27.740 -0.004 0.000 2.066 138 C HN 0.522 nan 8.230 nan 0.000 0.474 139 K N 0.660 121.066 120.400 0.010 0.000 2.160 139 K HA -0.125 4.194 4.320 -0.001 0.000 0.206 139 K C 2.116 178.735 176.600 0.032 0.000 1.047 139 K CA 1.696 57.994 56.287 0.018 0.000 0.930 139 K CB -0.782 31.727 32.500 0.017 0.000 0.720 139 K HN 0.635 nan 8.250 nan 0.000 0.450 140 G N 2.656 111.473 108.800 0.029 0.000 2.514 140 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 140 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 140 G C 1.531 176.473 174.900 0.069 0.000 1.198 140 G CA 0.811 45.937 45.100 0.043 0.000 0.780 140 G HN 0.089 nan 8.290 nan 0.000 0.565 141 I N 0.779 121.371 120.570 0.037 0.000 2.194 141 I HA -0.151 4.018 4.170 -0.001 0.000 0.246 141 I C 2.864 179.031 176.117 0.084 0.000 1.093 141 I CA 0.909 62.238 61.300 0.048 0.000 1.355 141 I CB -1.301 36.705 38.000 0.010 0.000 1.046 141 I HN 0.163 nan 8.210 nan 0.000 0.413 142 L N 0.421 121.677 121.223 0.056 0.000 1.956 142 L HA -0.278 4.062 4.340 -0.001 0.000 0.216 142 L C 2.747 179.659 176.870 0.070 0.000 1.073 142 L CA 1.840 56.709 54.840 0.049 0.000 0.762 142 L CB -0.449 41.627 42.059 0.028 0.000 0.889 142 L HN 0.197 nan 8.230 nan 0.000 0.433 143 E N -0.540 119.705 120.200 0.077 0.000 2.049 143 E HA -0.321 4.028 4.350 -0.001 0.000 0.198 143 E C 2.027 178.694 176.600 0.112 0.000 1.007 143 E CA 1.692 58.141 56.400 0.080 0.000 0.809 143 E CB -0.504 29.245 29.700 0.083 0.000 0.749 143 E HN 0.422 nan 8.360 nan 0.000 0.450 144 Y N 0.004 120.332 120.300 0.047 0.000 2.465 144 Y HA -0.088 4.461 4.550 -0.001 0.000 0.289 144 Y C 1.736 177.734 175.900 0.163 0.000 1.150 144 Y CA 1.102 59.253 58.100 0.085 0.000 1.293 144 Y CB 0.091 38.561 38.460 0.017 0.000 0.977 144 Y HN 0.106 nan 8.280 nan 0.000 0.556 145 L N -1.737 119.592 121.223 0.177 0.000 2.270 145 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 145 L C 2.332 179.246 176.870 0.075 0.000 1.104 145 L CA 0.997 55.936 54.840 0.164 0.000 0.804 145 L CB -0.437 41.687 42.059 0.108 0.000 0.937 145 L HN 0.086 nan 8.230 nan 0.000 0.450 146 T N -0.456 114.115 114.554 0.028 0.000 2.652 146 T HA -0.200 4.149 4.350 -0.001 0.000 0.267 146 T C 1.969 176.631 174.700 -0.064 0.000 1.039 146 T CA 1.593 63.683 62.100 -0.016 0.000 1.153 146 T CB -0.112 68.749 68.868 -0.012 0.000 0.863 146 T HN 0.044 nan 8.240 nan 0.000 0.428 147 V N 1.851 121.701 119.914 -0.106 0.000 2.370 147 V HA -0.277 3.842 4.120 -0.001 0.000 0.252 147 V C 2.782 178.705 176.094 -0.284 0.000 1.068 147 V CA 1.749 63.928 62.300 -0.201 0.000 1.061 147 V CB -1.354 30.266 31.823 -0.338 0.000 0.656 147 V HN 0.585 nan 8.190 nan 0.000 0.455 148 A N 1.018 123.676 122.820 -0.271 0.000 1.923 148 A HA -0.413 3.906 4.320 -0.001 0.000 0.222 148 A C 2.154 179.542 177.584 -0.326 0.000 1.258 148 A CA 2.849 54.643 52.037 -0.405 0.000 0.670 148 A CB -0.760 18.186 19.000 -0.089 0.000 0.834 148 A HN 0.849 nan 8.150 nan 0.000 0.470 149 E N -0.928 119.144 120.200 -0.213 0.000 2.110 149 E HA -0.079 4.270 4.350 -0.001 0.000 0.193 149 E C 1.328 177.846 176.600 -0.136 0.000 0.988 149 E CA 1.164 57.446 56.400 -0.196 0.000 0.804 149 E CB -0.642 28.974 29.700 -0.139 0.000 0.745 149 E HN 0.315 nan 8.360 nan 0.000 0.458 150 V N 1.951 121.787 119.914 -0.130 0.000 3.515 150 V HA 0.049 4.168 4.120 -0.001 0.000 0.298 150 V C -0.298 175.748 176.094 -0.079 0.000 1.206 150 V CA 0.290 62.541 62.300 -0.082 0.000 1.253 150 V CB -0.254 31.519 31.823 -0.083 0.000 1.035 150 V HN 0.117 nan 8.190 nan 0.000 0.428 151 V N 1.595 121.469 119.914 -0.067 0.000 2.350 151 V HA 0.423 4.542 4.120 -0.001 0.000 0.285 151 V C 0.581 176.777 176.094 0.171 0.000 1.014 151 V CA -0.394 61.888 62.300 -0.030 0.000 0.831 151 V CB 1.518 33.233 31.823 -0.179 0.000 1.000 151 V HN 0.625 nan 8.190 nan 0.000 0.433 152 E N 1.657 121.906 120.200 0.082 0.000 2.508 152 E HA 0.135 4.484 4.350 -0.001 0.000 0.217 152 E C 0.447 177.004 176.600 -0.071 0.000 0.896 152 E CA -0.070 56.333 56.400 0.004 0.000 1.118 152 E CB 0.753 30.445 29.700 -0.014 0.000 1.133 152 E HN 0.633 nan 8.360 nan 0.000 0.526 156 D N 1.168 121.595 120.400 0.045 0.000 2.117 156 D HA -0.056 4.584 4.640 -0.001 0.000 0.198 156 D C 1.950 178.300 176.300 0.084 0.000 0.982 156 D CA 1.579 55.611 54.000 0.052 0.000 0.828 156 D CB 0.014 40.825 40.800 0.019 0.000 0.967 156 D HN 0.362 nan 8.370 nan 0.000 0.464 157 L N -0.141 121.127 121.223 0.076 0.000 2.046 157 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 157 L C 2.221 179.203 176.870 0.187 0.000 1.077 157 L CA 1.055 55.968 54.840 0.122 0.000 0.747 157 L CB -0.247 41.870 42.059 0.098 0.000 0.896 157 L HN -0.129 nan 8.230 nan 0.000 0.432 158 V N 0.278 120.269 119.914 0.129 0.000 2.287 158 V HA -0.318 3.801 4.120 -0.001 0.000 0.248 158 V C 2.611 178.787 176.094 0.137 0.000 1.053 158 V CA 2.517 64.886 62.300 0.116 0.000 1.027 158 V CB -0.491 31.379 31.823 0.077 0.000 0.646 158 V HN 0.656 nan 8.190 nan 0.000 0.447 159 T N -1.131 113.511 114.554 0.147 0.000 2.684 159 T HA -0.258 4.092 4.350 -0.001 0.000 0.267 159 T C 1.646 176.491 174.700 0.242 0.000 1.036 159 T CA 2.171 64.367 62.100 0.160 0.000 1.148 159 T CB -0.420 68.538 68.868 0.150 0.000 0.863 159 T HN 0.542 nan 8.240 nan 0.000 0.436 160 Y N 2.315 122.707 120.300 0.153 0.000 2.014 160 Y HA -0.248 4.301 4.550 -0.001 0.000 0.270 160 Y C 2.780 178.789 175.900 0.181 0.000 1.145 160 Y CA 1.796 60.042 58.100 0.243 0.000 1.106 160 Y CB -1.168 37.392 38.460 0.166 0.000 0.968 160 Y HN 0.180 nan 8.280 nan 0.000 0.484 161 T N 0.692 115.376 114.554 0.217 0.000 2.718 161 T HA -0.299 4.050 4.350 -0.001 0.000 0.266 161 T C 1.470 176.171 174.700 0.003 0.000 1.033 161 T CA 2.466 64.615 62.100 0.081 0.000 1.151 161 T CB -0.399 68.536 68.868 0.111 0.000 0.853 161 T HN 0.489 nan 8.240 nan 0.000 0.466 162 K N 0.444 120.856 120.400 0.019 0.000 2.379 162 K HA 0.234 4.554 4.320 -0.001 0.000 0.194 162 K C 1.827 178.384 176.600 -0.072 0.000 1.031 162 K CA 0.370 56.647 56.287 -0.017 0.000 1.037 162 K CB 0.076 32.581 32.500 0.008 0.000 0.824 162 K HN 0.108 nan 8.250 nan 0.000 0.516 163 N N 0.487 119.123 118.700 -0.107 0.000 2.368 163 N HA 0.028 4.767 4.740 -0.001 0.000 0.176 163 N C 1.260 176.492 175.510 -0.463 0.000 1.021 163 N CA 0.340 53.236 53.050 -0.257 0.000 0.888 163 N CB 0.168 38.522 38.487 -0.222 0.000 0.995 163 N HN 0.063 nan 8.380 nan 0.000 0.437 164 L N 0.054 121.020 121.223 -0.428 0.000 2.084 164 L HA 0.296 4.635 4.340 -0.001 0.000 0.202 164 L C 2.034 178.769 176.870 -0.225 0.000 1.074 164 L CA 1.431 56.027 54.840 -0.406 0.000 0.757 164 L CB -1.224 40.599 42.059 -0.393 0.000 0.918 164 L HN 0.156 nan 8.230 nan 0.000 0.444 165 G N 0.774 109.482 108.800 -0.153 0.000 2.703 165 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.222 165 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.222 165 G C -0.567 174.281 174.900 -0.086 0.000 1.183 165 G CA 1.307 46.353 45.100 -0.090 0.000 0.775 165 G HN 0.428 nan 8.290 nan 0.000 0.615 166 P HA 0.031 nan 4.420 nan 0.000 0.214 166 P C 1.667 178.914 177.300 -0.089 0.000 1.162 166 P CA 1.516 64.567 63.100 -0.083 0.000 0.879 166 P CB -0.704 30.944 31.700 -0.086 0.000 0.786 176 D N 2.388 122.786 120.400 -0.002 0.000 2.103 176 D HA -0.203 4.436 4.640 -0.001 0.000 0.190 176 D C 1.796 178.095 176.300 -0.002 0.000 0.997 176 D CA 2.432 56.430 54.000 -0.002 0.000 0.833 176 D CB 0.142 40.939 40.800 -0.005 0.000 0.961 176 D HN 0.435 nan 8.370 nan 0.000 0.447 177 E N -0.393 119.805 120.200 -0.004 0.000 2.070 177 E HA -0.285 4.064 4.350 -0.001 0.000 0.197 177 E C 2.258 178.856 176.600 -0.003 0.000 1.004 177 E CA 1.168 57.565 56.400 -0.005 0.000 0.805 177 E CB -0.163 29.534 29.700 -0.005 0.000 0.744 177 E HN 0.113 nan 8.360 nan 0.000 0.451 178 R N 1.570 122.071 120.500 0.002 0.000 2.097 178 R HA -0.262 4.077 4.340 -0.001 0.000 0.236 178 R C 2.404 178.712 176.300 0.013 0.000 1.135 178 R CA 2.507 58.612 56.100 0.008 0.000 0.934 178 R CB -0.483 29.825 30.300 0.014 0.000 0.846 178 R HN 0.262 nan 8.270 nan 0.000 0.431 179 Q N -0.142 119.668 119.800 0.016 0.000 2.135 179 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 179 Q C 2.069 178.076 176.000 0.011 0.000 0.981 179 Q CA 2.024 57.841 55.803 0.024 0.000 0.856 179 Q CB -0.576 28.175 28.738 0.023 0.000 0.902 179 Q HN 0.521 nan 8.270 nan 0.000 0.425 180 Q N -0.025 119.776 119.800 0.001 0.000 2.268 180 Q HA -0.223 4.116 4.340 -0.001 0.000 0.210 180 Q C 1.310 177.301 176.000 -0.015 0.000 0.988 180 Q CA 1.707 57.505 55.803 -0.008 0.000 0.883 180 Q CB 0.017 28.748 28.738 -0.010 0.000 0.911 180 Q HN 0.426 nan 8.270 nan 0.000 0.430 181 E N -1.147 119.045 120.200 -0.014 0.000 2.447 181 E HA 0.044 4.393 4.350 -0.001 0.000 0.195 181 E C -0.641 175.937 176.600 -0.037 0.000 1.028 181 E CA -0.027 56.355 56.400 -0.030 0.000 0.876 181 E CB 0.387 30.067 29.700 -0.035 0.000 0.885 181 E HN 0.088 nan 8.360 nan 0.000 0.500 182 L N 0.285 121.505 121.223 -0.006 0.000 2.453 182 L HA 0.156 4.495 4.340 -0.001 0.000 0.261 182 L C 1.654 178.508 176.870 -0.026 0.000 1.179 182 L CA 0.703 55.553 54.840 0.016 0.000 0.813 182 L CB 0.954 43.070 42.059 0.096 0.000 1.110 182 L HN 0.087 nan 8.230 nan 0.000 0.466 183 T N -3.330 111.184 114.554 -0.067 0.000 3.054 183 T HA 0.154 4.503 4.350 -0.001 0.000 0.255 183 T C 0.371 174.904 174.700 -0.279 0.000 1.035 183 T CA 0.051 62.044 62.100 -0.179 0.000 0.941 183 T CB -0.343 68.381 68.868 -0.241 0.000 1.026 183 T HN 0.475 nan 8.240 nan 0.000 0.533 184 H N 1.819 120.829 119.070 -0.099 0.000 2.724 184 H HA 0.472 5.027 4.556 -0.001 0.000 0.278 184 H C 0.970 176.223 175.328 -0.124 0.000 1.159 184 H CA -0.649 55.273 56.048 -0.209 0.000 1.254 184 H CB 1.352 30.761 29.762 -0.589 0.000 1.412 184 H HN -0.025 nan 8.280 nan 0.000 0.488 185 Q N 2.052 121.854 119.800 0.004 0.000 2.045 185 Q HA -0.207 4.132 4.340 -0.001 0.000 0.206 185 Q C 1.498 177.528 176.000 0.050 0.000 0.991 185 Q CA 1.650 57.465 55.803 0.020 0.000 0.851 185 Q CB 0.035 28.776 28.738 0.004 0.000 0.911 185 Q HN 0.662 nan 8.270 nan 0.000 0.418 186 E N -0.591 119.637 120.200 0.047 0.000 2.086 186 E HA -0.229 4.120 4.350 -0.001 0.000 0.205 186 E C 1.944 178.652 176.600 0.179 0.000 1.027 186 E CA 1.850 58.301 56.400 0.085 0.000 0.830 186 E CB -0.494 29.260 29.700 0.089 0.000 0.751 186 E HN 0.479 nan 8.360 nan 0.000 0.456 187 H N -0.105 118.996 119.070 0.052 0.000 2.387 187 H HA 0.004 4.559 4.556 -0.001 0.000 0.299 187 H C 2.051 177.392 175.328 0.023 0.000 1.099 187 H CA 1.418 57.483 56.048 0.028 0.000 1.315 187 H CB -0.193 29.596 29.762 0.044 0.000 1.380 187 H HN 0.090 nan 8.280 nan 0.000 0.513 188 R N 0.315 120.912 120.500 0.161 0.000 2.115 188 R HA -0.009 4.331 4.340 -0.001 0.000 0.230 188 R C 0.804 177.135 176.300 0.051 0.000 1.111 188 R CA 0.282 56.432 56.100 0.083 0.000 0.976 188 R CB -0.008 30.325 30.300 0.055 0.000 0.870 188 R HN 0.027 nan 8.270 nan 0.000 0.445 192 V N 0.548 120.464 119.914 0.003 0.000 2.591 192 V HA -0.123 3.997 4.120 -0.001 0.000 0.249 192 V C 1.810 177.901 176.094 -0.005 0.000 1.053 192 V CA 2.316 64.616 62.300 -0.000 0.000 1.068 192 V CB -0.515 31.309 31.823 0.001 0.000 0.689 192 V HN 0.401 nan 8.190 nan 0.000 0.462 193 N N -0.383 118.313 118.700 -0.007 0.000 2.188 193 N HA -0.068 4.671 4.740 -0.001 0.000 0.184 193 N C 1.145 176.648 175.510 -0.011 0.000 1.018 193 N CA 0.655 53.698 53.050 -0.010 0.000 0.858 193 N CB -0.012 38.467 38.487 -0.014 0.000 0.989 193 N HN 0.297 nan 8.380 nan 0.000 0.426 197 T N 2.003 116.557 114.554 -0.001 0.000 2.592 197 T HA -0.159 4.191 4.350 -0.001 0.000 0.267 197 T C 1.914 176.617 174.700 0.006 0.000 1.060 197 T CA 2.390 64.492 62.100 0.003 0.000 1.167 197 T CB -0.663 68.204 68.868 -0.002 0.000 0.863 197 T HN 0.062 nan 8.240 nan 0.000 0.431 198 V N 1.668 121.582 119.914 -0.001 0.000 2.278 198 V HA -0.303 3.816 4.120 -0.001 0.000 0.251 198 V C 2.542 178.641 176.094 0.007 0.000 1.062 198 V CA 1.924 64.224 62.300 0.000 0.000 1.038 198 V CB -0.637 31.183 31.823 -0.005 0.000 0.646 198 V HN 0.496 nan 8.190 nan 0.000 0.447 199 K N -0.261 120.142 120.400 0.005 0.000 1.991 199 K HA -0.247 4.072 4.320 -0.001 0.000 0.212 199 K C 2.165 178.775 176.600 0.017 0.000 1.049 199 K CA 2.095 58.386 56.287 0.007 0.000 0.932 199 K CB -0.277 32.226 32.500 0.004 0.000 0.717 199 K HN 0.441 nan 8.250 nan 0.000 0.441 200 E N 0.738 120.949 120.200 0.018 0.000 2.333 200 E HA -0.106 4.244 4.350 -0.001 0.000 0.198 200 E C 1.757 178.382 176.600 0.041 0.000 1.007 200 E CA 0.595 57.011 56.400 0.027 0.000 0.845 200 E CB 0.071 29.785 29.700 0.024 0.000 0.766 200 E HN 0.220 nan 8.360 nan 0.000 0.507 201 L N -0.175 121.073 121.223 0.040 0.000 2.162 201 L HA -0.039 4.300 4.340 -0.001 0.000 0.205 201 L C 2.234 179.143 176.870 0.065 0.000 1.086 201 L CA 0.359 55.233 54.840 0.056 0.000 0.778 201 L CB -0.304 41.779 42.059 0.040 0.000 0.928 201 L HN 0.253 nan 8.230 nan 0.000 0.446 202 L N 1.082 122.335 121.223 0.050 0.000 2.011 202 L HA -0.246 4.094 4.340 -0.001 0.000 0.225 202 L C -0.512 176.403 176.870 0.075 0.000 1.084 202 L CA 2.416 57.289 54.840 0.054 0.000 0.791 202 L CB -1.486 40.591 42.059 0.031 0.000 0.898 202 L HN 0.103 nan 8.230 nan 0.000 0.440 203 P HA -0.182 nan 4.420 nan 0.000 0.215 203 P C 1.998 179.365 177.300 0.112 0.000 1.157 203 P CA 1.950 65.098 63.100 0.080 0.000 0.874 203 P CB -0.138 31.600 31.700 0.063 0.000 0.790 204 V N -0.604 119.379 119.914 0.115 0.000 2.287 204 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 204 V C 2.435 178.641 176.094 0.186 0.000 1.053 204 V CA 1.756 64.150 62.300 0.157 0.000 1.027 204 V CB -1.322 30.588 31.823 0.144 0.000 0.646 204 V HN 0.052 nan 8.190 nan 0.000 0.447 205 L N -0.298 121.016 121.223 0.151 0.000 1.956 205 L HA -0.185 4.154 4.340 -0.001 0.000 0.216 205 L C 2.249 179.213 176.870 0.157 0.000 1.073 205 L CA 2.029 56.960 54.840 0.151 0.000 0.762 205 L CB -0.752 41.397 42.059 0.151 0.000 0.889 205 L HN 0.142 nan 8.230 nan 0.000 0.433 206 I N -0.465 120.201 120.570 0.159 0.000 2.065 206 I HA -0.384 3.785 4.170 -0.001 0.000 0.236 206 I C 2.877 179.075 176.117 0.135 0.000 1.028 206 I CA 1.944 63.337 61.300 0.155 0.000 1.299 206 I CB -1.644 36.435 38.000 0.130 0.000 1.015 206 I HN 0.490 nan 8.210 nan 0.000 0.396 207 S N 0.129 115.918 115.700 0.148 0.000 2.368 207 S HA -0.174 4.296 4.470 -0.001 0.000 0.226 207 S C 1.405 176.029 174.600 0.040 0.000 1.044 207 S CA 1.128 59.421 58.200 0.156 0.000 1.062 207 S CB -0.632 62.746 63.200 0.297 0.000 0.931 207 S HN 0.552 nan 8.310 nan 0.000 0.440 211 I N 2.114 122.672 120.570 -0.021 0.000 2.657 211 I HA -0.221 3.948 4.170 -0.001 0.000 0.261 211 I C 1.894 178.028 176.117 0.029 0.000 1.212 211 I CA 1.360 62.625 61.300 -0.058 0.000 1.453 211 I CB -0.198 37.649 38.000 -0.254 0.000 1.092 211 I HN 0.181 nan 8.210 nan 0.000 0.452 212 F N 1.911 121.812 119.950 -0.082 0.000 2.104 212 F HA -0.039 4.487 4.527 -0.001 0.000 0.288 212 F C 1.738 177.514 175.800 -0.040 0.000 1.107 212 F CA 1.027 58.994 58.000 -0.055 0.000 1.208 212 F CB -0.585 38.387 39.000 -0.048 0.000 1.033 212 F HN -0.255 nan 8.300 nan 0.000 0.478 213 V N 1.525 121.262 119.914 -0.294 0.000 3.016 213 V HA 0.021 4.140 4.120 -0.001 0.000 0.344 213 V C 0.592 176.567 176.094 -0.199 0.000 1.457 213 V CA 1.409 63.493 62.300 -0.359 0.000 1.568 213 V CB -1.816 29.909 31.823 -0.164 0.000 1.224 213 V HN 0.607 nan 8.190 nan 0.000 0.450 214 T N -1.288 113.153 114.554 -0.189 0.000 3.602 214 T HA -0.012 4.338 4.350 -0.001 0.000 0.287 214 T C 1.757 176.398 174.700 -0.099 0.000 0.967 214 T CA 0.806 62.844 62.100 -0.103 0.000 1.111 214 T CB 0.424 69.262 68.868 -0.051 0.000 1.156 214 T HN 0.446 nan 8.240 nan 0.000 0.470 215 T N 2.170 116.668 114.554 -0.093 0.000 2.866 215 T HA 0.070 4.419 4.350 -0.001 0.000 0.250 215 T C 1.941 176.586 174.700 -0.092 0.000 1.033 215 T CA 0.728 62.790 62.100 -0.063 0.000 1.145 215 T CB -0.089 68.769 68.868 -0.016 0.000 0.866 215 T HN 0.106 nan 8.240 nan 0.000 0.434 216 K N 1.683 121.995 120.400 -0.147 0.000 2.160 216 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 216 K C 1.531 178.019 176.600 -0.186 0.000 1.047 216 K CA 1.547 57.732 56.287 -0.169 0.000 0.930 216 K CB -0.373 31.906 32.500 -0.369 0.000 0.720 216 K HN 0.169 nan 8.250 nan 0.000 0.450 217 N N 0.344 118.909 118.700 -0.225 0.000 2.171 217 N HA -0.084 4.656 4.740 -0.001 0.000 0.184 217 N C 1.767 177.217 175.510 -0.100 0.000 1.021 217 N CA 1.272 54.224 53.050 -0.163 0.000 0.854 217 N CB -0.486 37.902 38.487 -0.165 0.000 0.994 217 N HN 0.152 nan 8.380 nan 0.000 0.426 218 S N 0.223 115.870 115.700 -0.087 0.000 2.383 218 S HA -0.056 4.414 4.470 -0.001 0.000 0.227 218 S C 0.089 174.661 174.600 -0.047 0.000 1.026 218 S CA 0.907 59.072 58.200 -0.058 0.000 0.981 218 S CB -0.089 63.081 63.200 -0.050 0.000 0.818 218 S HN 0.330 nan 8.310 nan 0.000 0.472 219 K N 1.103 121.474 120.400 -0.047 0.000 3.224 219 K HA -0.142 4.177 4.320 -0.001 0.000 0.270 219 K C -0.192 176.393 176.600 -0.024 0.000 1.165 219 K CA 0.821 57.089 56.287 -0.032 0.000 0.801 219 K CB -2.346 30.137 32.500 -0.029 0.000 1.286 219 K HN 0.864 nan 8.250 nan 0.000 0.500 220 N N -1.183 117.502 118.700 -0.024 0.000 3.223 220 N HA 0.237 4.976 4.740 -0.001 0.000 0.350 220 N C -0.483 175.016 175.510 -0.019 0.000 1.425 220 N CA -1.123 51.914 53.050 -0.022 0.000 0.668 220 N CB 0.580 39.051 38.487 -0.027 0.000 1.435 220 N HN -0.014 nan 8.380 nan 0.000 0.569 221 Q N -0.213 119.571 119.800 -0.026 0.000 2.735 221 Q HA 0.253 4.592 4.340 -0.001 0.000 0.380 221 Q C -0.335 175.646 176.000 -0.031 0.000 1.060 221 Q CA -0.193 55.593 55.803 -0.029 0.000 1.025 221 Q CB 1.187 29.900 28.738 -0.041 0.000 1.350 221 Q HN 0.893 nan 8.270 nan 0.000 0.424 222 G N -0.294 108.498 108.800 -0.014 0.000 2.512 222 G HA2 0.011 3.970 3.960 -0.001 0.000 0.193 222 G HA3 0.011 3.970 3.960 -0.001 0.000 0.193 222 G C 1.110 176.025 174.900 0.025 0.000 1.278 222 G CA -0.143 44.954 45.100 -0.004 0.000 0.722 222 G HN 0.331 nan 8.290 nan 0.000 0.925 223 I N 1.650 122.243 120.570 0.039 0.000 2.657 223 I HA -0.047 4.122 4.170 -0.001 0.000 0.261 223 I C 2.103 178.263 176.117 0.071 0.000 1.212 223 I CA 1.075 62.426 61.300 0.084 0.000 1.453 223 I CB -0.229 37.831 38.000 0.098 0.000 1.092 223 I HN 0.066 nan 8.210 nan 0.000 0.452 224 E N 1.128 121.352 120.200 0.040 0.000 2.265 224 E HA -0.169 4.180 4.350 -0.001 0.000 0.196 224 E C 1.677 178.297 176.600 0.033 0.000 0.996 224 E CA 1.057 57.475 56.400 0.030 0.000 0.832 224 E CB -0.053 29.654 29.700 0.013 0.000 0.756 224 E HN 0.595 nan 8.360 nan 0.000 0.491 225 E N -0.883 119.341 120.200 0.040 0.000 2.539 225 E HA 0.210 4.559 4.350 -0.001 0.000 0.215 225 E C 1.560 178.201 176.600 0.068 0.000 0.965 225 E CA 0.392 56.821 56.400 0.049 0.000 1.019 225 E CB 0.718 30.449 29.700 0.051 0.000 1.059 225 E HN 0.186 nan 8.360 nan 0.000 0.496 226 A N 2.028 124.893 122.820 0.075 0.000 1.843 226 A HA -0.033 4.286 4.320 -0.001 0.000 0.213 226 A C 2.073 179.676 177.584 0.031 0.000 1.202 226 A CA 0.568 52.659 52.037 0.090 0.000 0.607 226 A CB -0.458 18.644 19.000 0.170 0.000 0.847 226 A HN 0.156 nan 8.150 nan 0.000 0.445 227 L N -1.068 120.160 121.223 0.009 0.000 2.362 227 L HA -0.097 4.242 4.340 -0.001 0.000 0.219 227 L C 2.084 178.924 176.870 -0.050 0.000 1.134 227 L CA 1.467 56.232 54.840 -0.126 0.000 0.807 227 L CB -0.684 41.325 42.059 -0.083 0.000 0.927 227 L HN 0.282 nan 8.230 nan 0.000 0.447 228 K N 0.781 121.188 120.400 0.012 0.000 1.969 228 K HA -0.139 4.181 4.320 -0.001 0.000 0.220 228 K C 1.744 178.396 176.600 0.087 0.000 1.040 228 K CA 1.661 57.974 56.287 0.043 0.000 0.981 228 K CB -0.677 31.845 32.500 0.037 0.000 0.746 228 K HN 0.192 nan 8.250 nan 0.000 0.444 229 N N 0.714 119.472 118.700 0.096 0.000 2.049 229 N HA -0.232 4.508 4.740 -0.001 0.000 0.198 229 N C 1.645 177.272 175.510 0.196 0.000 1.030 229 N CA 1.351 54.504 53.050 0.171 0.000 0.870 229 N CB -0.347 38.260 38.487 0.200 0.000 1.045 229 N HN 0.144 nan 8.380 nan 0.000 0.434 230 R N 0.900 121.451 120.500 0.084 0.000 2.119 230 R HA -0.122 4.217 4.340 -0.001 0.000 0.246 230 R C 1.230 177.539 176.300 0.015 0.000 1.146 230 R CA 1.558 57.666 56.100 0.012 0.000 0.962 230 R CB -0.551 29.654 30.300 -0.159 0.000 0.863 230 R HN 0.283 nan 8.270 nan 0.000 0.442 231 N N -0.154 118.555 118.700 0.015 0.000 2.250 231 N HA -0.108 4.631 4.740 -0.001 0.000 0.181 231 N C 1.479 177.042 175.510 0.088 0.000 1.017 231 N CA 0.987 54.048 53.050 0.019 0.000 0.866 231 N CB -0.443 38.044 38.487 0.000 0.000 0.985 231 N HN 0.201 nan 8.380 nan 0.000 0.429 232 F N 1.677 121.629 119.950 0.004 0.000 2.051 232 F HA -0.147 4.379 4.527 -0.001 0.000 0.296 232 F C 2.235 178.054 175.800 0.031 0.000 1.122 232 F CA 1.421 59.435 58.000 0.023 0.000 1.201 232 F CB -0.907 38.115 39.000 0.038 0.000 0.978 232 F HN -0.099 nan 8.300 nan 0.000 0.472 233 T N 0.285 114.967 114.554 0.214 0.000 2.760 233 T HA -0.216 4.133 4.350 -0.001 0.000 0.269 233 T C 2.049 176.714 174.700 -0.059 0.000 1.047 233 T CA 1.634 63.780 62.100 0.076 0.000 1.139 233 T CB -0.608 68.380 68.868 0.199 0.000 0.855 233 T HN 0.182 nan 8.240 nan 0.000 0.471 234 V N 0.609 120.502 119.914 -0.035 0.000 2.346 234 V HA -0.070 4.050 4.120 -0.001 0.000 0.244 234 V C 2.447 178.490 176.094 -0.085 0.000 1.037 234 V CA 1.702 63.983 62.300 -0.032 0.000 1.029 234 V CB -0.379 31.444 31.823 0.000 0.000 0.663 234 V HN 0.518 nan 8.190 nan 0.000 0.454 235 E N 0.088 120.210 120.200 -0.129 0.000 2.160 235 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 235 E C 0.865 177.348 176.600 -0.195 0.000 0.991 235 E CA 0.713 57.029 56.400 -0.140 0.000 0.810 235 E CB 0.198 29.820 29.700 -0.131 0.000 0.742 235 E HN 0.392 nan 8.360 nan 0.000 0.466 239 A N 2.257 125.047 122.820 -0.049 0.000 1.898 239 A HA 0.102 4.421 4.320 -0.001 0.000 0.214 239 A C 1.990 179.551 177.584 -0.037 0.000 1.183 239 A CA 1.133 53.143 52.037 -0.045 0.000 0.622 239 A CB -0.314 18.650 19.000 -0.061 0.000 0.824 239 A HN 0.352 nan 8.150 nan 0.000 0.444 240 E N 0.229 120.406 120.200 -0.038 0.000 2.072 240 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 240 E C 1.999 178.584 176.600 -0.026 0.000 0.985 240 E CA 1.068 57.450 56.400 -0.031 0.000 0.801 240 E CB -0.379 29.305 29.700 -0.028 0.000 0.750 240 E HN 0.708 nan 8.360 nan 0.000 0.452 241 I N 1.841 122.398 120.570 -0.022 0.000 2.264 241 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 241 I C 2.160 178.266 176.117 -0.019 0.000 1.111 241 I CA 0.828 62.118 61.300 -0.017 0.000 1.382 241 I CB -0.404 37.590 38.000 -0.009 0.000 1.060 241 I HN 0.039 nan 8.210 nan 0.000 0.418 242 N N 0.668 119.356 118.700 -0.020 0.000 2.120 242 N HA -0.217 4.522 4.740 -0.001 0.000 0.188 242 N C 1.842 177.335 175.510 -0.027 0.000 1.024 242 N CA 1.331 54.368 53.050 -0.021 0.000 0.852 242 N CB -0.203 38.272 38.487 -0.021 0.000 1.003 242 N HN 0.338 nan 8.380 nan 0.000 0.424 243 E N 1.152 121.334 120.200 -0.030 0.000 2.051 243 E HA -0.053 4.296 4.350 -0.001 0.000 0.192 243 E C 2.026 178.601 176.600 -0.042 0.000 0.991 243 E CA 0.860 57.238 56.400 -0.037 0.000 0.799 243 E CB -0.358 29.321 29.700 -0.035 0.000 0.748 243 E HN 0.318 nan 8.360 nan 0.000 0.449 244 I N 0.092 120.641 120.570 -0.034 0.000 2.091 244 I HA -0.312 3.857 4.170 -0.001 0.000 0.239 244 I C 2.373 178.468 176.117 -0.037 0.000 1.061 244 I CA 1.412 62.693 61.300 -0.033 0.000 1.317 244 I CB -0.316 37.670 38.000 -0.022 0.000 1.031 244 I HN 0.167 nan 8.210 nan 0.000 0.401 245 I N 0.006 120.558 120.570 -0.030 0.000 2.185 245 I HA -0.373 3.796 4.170 -0.001 0.000 0.246 245 I C 2.777 178.869 176.117 -0.042 0.000 1.088 245 I CA 1.409 62.691 61.300 -0.029 0.000 1.347 245 I CB -0.422 37.565 38.000 -0.022 0.000 1.041 245 I HN 0.203 nan 8.210 nan 0.000 0.415 246 R N 0.609 121.080 120.500 -0.048 0.000 2.088 246 R HA -0.176 4.163 4.340 -0.001 0.000 0.232 246 R C 2.330 178.574 176.300 -0.094 0.000 1.136 246 R CA 2.153 58.216 56.100 -0.062 0.000 0.926 246 R CB -0.465 29.800 30.300 -0.058 0.000 0.837 246 R HN 0.186 nan 8.270 nan 0.000 0.429 247 V N 1.701 121.550 119.914 -0.108 0.000 2.469 247 V HA -0.261 3.859 4.120 -0.001 0.000 0.251 247 V C 2.440 178.443 176.094 -0.151 0.000 1.064 247 V CA 1.612 63.810 62.300 -0.169 0.000 1.066 247 V CB -0.426 31.310 31.823 -0.145 0.000 0.667 247 V HN 0.321 nan 8.190 nan 0.000 0.461 248 L N -0.474 120.700 121.223 -0.081 0.000 2.042 248 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 248 L C 2.577 179.420 176.870 -0.045 0.000 1.076 248 L CA 1.759 56.575 54.840 -0.041 0.000 0.749 248 L CB -0.552 41.495 42.059 -0.021 0.000 0.893 248 L HN 0.356 nan 8.230 nan 0.000 0.432 249 Q N -0.377 119.382 119.800 -0.068 0.000 2.500 249 Q HA -0.048 4.291 4.340 -0.001 0.000 0.213 249 Q C -0.048 175.880 176.000 -0.120 0.000 0.974 249 Q CA 0.075 55.831 55.803 -0.078 0.000 0.918 249 Q CB -0.067 28.629 28.738 -0.070 0.000 0.980 249 Q HN 0.278 nan 8.270 nan 0.000 0.505 250 L N 0.670 121.804 121.223 -0.149 0.000 2.439 250 L HA 0.018 4.357 4.340 -0.001 0.000 0.269 250 L C 1.200 177.973 176.870 -0.160 0.000 1.179 250 L CA 1.114 55.839 54.840 -0.191 0.000 0.828 250 L CB 0.936 42.770 42.059 -0.373 0.000 1.106 250 L HN 0.092 nan 8.230 nan 0.000 0.467 251 T N -2.922 111.506 114.554 -0.209 0.000 3.403 251 T HA 0.446 4.796 4.350 -0.001 0.000 0.308 251 T C 0.217 174.771 174.700 -0.243 0.000 0.952 251 T CA 0.111 62.035 62.100 -0.292 0.000 0.970 251 T CB 0.057 68.568 68.868 -0.595 0.000 1.189 251 T HN 0.476 nan 8.240 nan 0.000 0.528 252 S N -0.857 114.647 115.700 -0.326 0.000 2.669 252 S HA 0.482 4.952 4.470 -0.001 0.000 0.266 252 S C -1.686 172.622 174.600 -0.486 0.000 1.149 252 S CA -0.966 56.868 58.200 -0.610 0.000 0.842 252 S CB 0.158 63.059 63.200 -0.498 0.000 1.160 252 S HN 0.357 nan 8.310 nan 0.000 0.487 253 W N 2.782 124.004 121.300 -0.130 0.000 2.484 253 W HA 0.036 4.695 4.660 -0.001 0.000 0.337 253 W C 0.650 177.219 176.519 0.082 0.000 1.214 253 W CA 0.017 57.342 57.345 -0.033 0.000 1.296 253 W CB -0.512 28.986 29.460 0.064 0.000 1.174 253 W HN 0.638 nan 8.180 nan 0.000 0.564 254 D N 2.209 122.822 120.400 0.356 0.000 2.525 254 D HA -0.113 4.526 4.640 -0.001 0.000 0.235 254 D C 1.055 177.468 176.300 0.189 0.000 1.137 254 D CA 0.647 54.773 54.000 0.209 0.000 0.868 254 D CB 1.012 41.915 40.800 0.171 0.000 1.180 254 D HN 0.235 nan 8.370 nan 0.000 0.465 255 E N 1.407 121.678 120.200 0.118 0.000 2.021 255 E HA -0.021 4.329 4.350 -0.001 0.000 0.191 255 E C -0.082 176.584 176.600 0.111 0.000 0.971 255 E CA 0.804 57.276 56.400 0.119 0.000 0.825 255 E CB 0.076 29.823 29.700 0.080 0.000 0.788 255 E HN 0.437 nan 8.360 nan 0.000 0.460 256 D N 0.244 120.692 120.400 0.080 0.000 2.557 256 D HA 0.294 4.933 4.640 -0.001 0.000 0.236 256 D C 0.227 176.572 176.300 0.075 0.000 1.154 256 D CA 0.005 54.062 54.000 0.094 0.000 0.985 256 D CB 1.041 41.884 40.800 0.071 0.000 1.010 256 D HN 0.118 nan 8.370 nan 0.000 0.516 257 A N 1.498 124.360 122.820 0.071 0.000 1.872 257 A HA -0.111 4.208 4.320 -0.001 0.000 0.214 257 A C 1.667 179.213 177.584 -0.063 0.000 1.187 257 A CA 0.512 52.520 52.037 -0.048 0.000 0.614 257 A CB -0.534 18.380 19.000 -0.145 0.000 0.826 257 A HN 0.549 nan 8.150 nan 0.000 0.442 258 W N -0.026 121.292 121.300 0.030 0.000 3.077 258 W HA 0.260 4.920 4.660 -0.001 0.000 0.245 258 W C 2.250 178.776 176.519 0.011 0.000 1.316 258 W CA 0.149 57.505 57.345 0.019 0.000 1.537 258 W CB 0.113 29.582 29.460 0.015 0.000 1.131 258 W HN 0.458 nan 8.180 nan 0.000 0.695 259 A N 0.111 123.050 122.820 0.197 0.000 1.902 259 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 259 A C 2.155 179.799 177.584 0.099 0.000 1.181 259 A CA 2.332 54.443 52.037 0.124 0.000 0.623 259 A CB -1.098 17.947 19.000 0.075 0.000 0.818 259 A HN 0.261 nan 8.150 nan 0.000 0.443 260 S N 0.074 115.820 115.700 0.078 0.000 2.335 260 S HA -0.177 4.292 4.470 -0.001 0.000 0.217 260 S C 1.984 176.636 174.600 0.087 0.000 1.032 260 S CA 1.402 59.636 58.200 0.056 0.000 0.985 260 S CB -0.497 62.715 63.200 0.020 0.000 0.896 260 S HN 0.558 nan 8.310 nan 0.000 0.445 261 K N 1.101 121.576 120.400 0.125 0.000 2.089 261 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 261 K C 1.843 178.555 176.600 0.186 0.000 1.048 261 K CA 1.818 58.215 56.287 0.185 0.000 0.926 261 K CB -0.653 32.049 32.500 0.337 0.000 0.714 261 K HN 0.445 nan 8.250 nan 0.000 0.448 262 D N 0.431 120.947 120.400 0.194 0.000 2.078 262 D HA -0.129 4.510 4.640 -0.001 0.000 0.193 262 D C 2.164 178.504 176.300 0.067 0.000 0.990 262 D CA 2.196 56.263 54.000 0.112 0.000 0.827 262 D CB -0.639 40.219 40.800 0.096 0.000 0.975 262 D HN 0.374 nan 8.370 nan 0.000 0.451 263 T N -0.928 113.663 114.554 0.062 0.000 2.929 263 T HA -0.181 4.168 4.350 -0.001 0.000 0.271 263 T C 1.734 176.458 174.700 0.040 0.000 1.085 263 T CA 1.634 63.759 62.100 0.041 0.000 1.125 263 T CB -0.088 68.800 68.868 0.034 0.000 0.874 263 T HN 0.162 nan 8.240 nan 0.000 0.494 264 E N 2.082 122.312 120.200 0.051 0.000 2.170 264 E HA 0.335 4.684 4.350 -0.001 0.000 0.191 264 E C 1.132 177.761 176.600 0.048 0.000 0.981 264 E CA 0.561 56.990 56.400 0.048 0.000 0.830 264 E CB -0.513 29.217 29.700 0.051 0.000 0.775 264 E HN 0.716 nan 8.360 nan 0.000 0.470 268 R N 1.248 121.764 120.500 0.026 0.000 2.070 268 R HA 0.011 4.350 4.340 -0.001 0.000 0.233 268 R C 2.132 178.440 176.300 0.012 0.000 1.137 268 R CA 1.729 57.843 56.100 0.022 0.000 0.945 268 R CB -0.173 30.141 30.300 0.023 0.000 0.845 268 R HN 0.216 nan 8.270 nan 0.000 0.430 269 A N 1.142 123.966 122.820 0.007 0.000 1.940 269 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 269 A C 2.168 179.751 177.584 -0.001 0.000 1.176 269 A CA 1.161 53.197 52.037 -0.001 0.000 0.631 269 A CB -0.486 18.509 19.000 -0.008 0.000 0.814 269 A HN 0.209 nan 8.150 nan 0.000 0.446 270 L N -1.143 120.083 121.223 0.004 0.000 2.005 270 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 270 L C 3.138 180.012 176.870 0.008 0.000 1.072 270 L CA 1.412 56.255 54.840 0.005 0.000 0.744 270 L CB -0.948 41.116 42.059 0.008 0.000 0.895 270 L HN 0.463 nan 8.230 nan 0.000 0.433 271 A N -1.101 121.727 122.820 0.012 0.000 1.978 271 A HA -0.216 4.103 4.320 -0.001 0.000 0.220 271 A C 2.526 180.116 177.584 0.009 0.000 1.170 271 A CA 2.103 54.149 52.037 0.015 0.000 0.636 271 A CB -0.502 18.511 19.000 0.021 0.000 0.810 271 A HN 0.380 nan 8.150 nan 0.000 0.448 272 S N -0.981 114.722 115.700 0.005 0.000 2.414 272 S HA 0.055 4.524 4.470 -0.001 0.000 0.227 272 S C 1.781 176.379 174.600 -0.004 0.000 1.022 272 S CA 0.778 58.978 58.200 -0.001 0.000 0.958 272 S CB -0.386 62.812 63.200 -0.004 0.000 0.797 272 S HN 0.520 nan 8.310 nan 0.000 0.493 273 I N 0.930 121.497 120.570 -0.004 0.000 2.406 273 I HA -0.100 4.070 4.170 -0.001 0.000 0.249 273 I C 2.242 178.358 176.117 -0.001 0.000 1.122 273 I CA 1.024 62.320 61.300 -0.006 0.000 1.431 273 I CB -0.330 37.666 38.000 -0.007 0.000 1.087 273 I HN 0.284 nan 8.210 nan 0.000 0.424 274 D N 0.687 121.089 120.400 0.003 0.000 2.144 274 D HA -0.161 4.479 4.640 -0.001 0.000 0.199 274 D C 2.087 178.392 176.300 0.008 0.000 0.984 274 D CA 1.738 55.743 54.000 0.007 0.000 0.834 274 D CB 0.209 41.015 40.800 0.010 0.000 0.955 274 D HN 0.292 nan 8.370 nan 0.000 0.465 275 S N -0.706 114.998 115.700 0.007 0.000 2.631 275 S HA 0.078 4.547 4.470 -0.001 0.000 0.217 275 S C 1.076 175.679 174.600 0.005 0.000 0.958 275 S CA 0.002 58.207 58.200 0.008 0.000 0.920 275 S CB 0.192 63.396 63.200 0.007 0.000 0.776 275 S HN 0.138 nan 8.310 nan 0.000 0.517 276 K N -0.133 120.269 120.400 0.002 0.000 2.554 276 K HA 0.352 4.672 4.320 -0.001 0.000 0.211 276 K C 1.189 177.791 176.600 0.003 0.000 1.226 276 K CA -0.246 56.040 56.287 -0.001 0.000 1.025 276 K CB 0.065 32.558 32.500 -0.012 0.000 1.021 276 K HN 0.184 nan 8.250 nan 0.000 0.600 277 L N 1.628 122.855 121.223 0.006 0.000 1.956 277 L HA -0.278 4.061 4.340 -0.001 0.000 0.216 277 L C 1.662 178.545 176.870 0.021 0.000 1.073 277 L CA 1.811 56.658 54.840 0.011 0.000 0.762 277 L CB -0.431 41.635 42.059 0.011 0.000 0.889 277 L HN 0.333 nan 8.230 nan 0.000 0.433 278 N N -0.025 118.689 118.700 0.024 0.000 2.005 278 N HA -0.332 4.408 4.740 -0.001 0.000 0.199 278 N C 1.634 177.171 175.510 0.044 0.000 1.054 278 N CA 1.905 54.975 53.050 0.033 0.000 0.864 278 N CB -0.757 37.747 38.487 0.029 0.000 1.063 278 N HN 0.351 nan 8.380 nan 0.000 0.428 279 Q N 0.288 120.112 119.800 0.039 0.000 2.224 279 Q HA -0.216 4.123 4.340 -0.001 0.000 0.213 279 Q C 1.560 177.598 176.000 0.065 0.000 0.998 279 Q CA 2.411 58.243 55.803 0.048 0.000 0.895 279 Q CB -0.155 28.600 28.738 0.027 0.000 0.926 279 Q HN 0.472 nan 8.270 nan 0.000 0.417 280 A N -0.423 122.423 122.820 0.042 0.000 2.081 280 A HA -0.001 4.318 4.320 -0.001 0.000 0.214 280 A C 1.768 179.422 177.584 0.116 0.000 1.158 280 A CA 0.585 52.642 52.037 0.034 0.000 0.724 280 A CB -0.018 18.965 19.000 -0.028 0.000 0.826 280 A HN 0.231 nan 8.150 nan 0.000 0.463 281 K N -0.365 120.093 120.400 0.097 0.000 2.031 281 K HA -0.059 4.261 4.320 -0.001 0.000 0.205 281 K C 2.094 178.773 176.600 0.132 0.000 1.049 281 K CA 1.092 57.441 56.287 0.105 0.000 0.939 281 K CB -0.558 31.981 32.500 0.065 0.000 0.717 281 K HN 0.421 nan 8.250 nan 0.000 0.438 282 G N 0.446 109.318 108.800 0.119 0.000 2.499 282 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.221 282 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.221 282 G C 1.237 176.234 174.900 0.162 0.000 1.109 282 G CA 0.549 45.716 45.100 0.111 0.000 0.749 282 G HN 0.416 nan 8.290 nan 0.000 0.568 283 W N 0.873 122.176 121.300 0.006 0.000 2.480 283 W HA 0.135 4.795 4.660 -0.001 0.000 0.299 283 W C 2.143 178.665 176.519 0.005 0.000 1.187 283 W CA 0.768 58.117 57.345 0.006 0.000 1.347 283 W CB -0.104 29.360 29.460 0.007 0.000 1.121 283 W HN 0.117 nan 8.180 nan 0.000 0.533 284 L N 0.504 121.934 121.223 0.345 0.000 2.456 284 L HA 0.029 4.368 4.340 -0.001 0.000 0.224 284 L C 1.416 178.305 176.870 0.032 0.000 1.148 284 L CA 1.155 56.099 54.840 0.174 0.000 0.825 284 L CB -0.771 41.421 42.059 0.221 0.000 0.937 284 L HN -0.197 nan 8.230 nan 0.000 0.450 285 R N 0.498 121.017 120.500 0.032 0.000 3.534 285 R HA 0.239 4.578 4.340 -0.001 0.000 0.312 285 R C -0.902 175.377 176.300 -0.036 0.000 1.419 285 R CA -0.045 56.056 56.100 0.003 0.000 1.262 285 R CB -0.086 30.231 30.300 0.027 0.000 1.437 285 R HN 0.055 nan 8.270 nan 0.000 0.627 286 D N -1.090 119.252 120.400 -0.097 0.000 2.104 286 D HA 0.035 4.674 4.640 -0.001 0.000 0.144 286 D C -2.435 173.719 176.300 -0.244 0.000 1.137 286 D CA -0.918 52.997 54.000 -0.142 0.000 1.014 286 D CB 1.637 42.357 40.800 -0.133 0.000 2.540 286 D HN -0.130 nan 8.370 nan 0.000 0.548 287 P HA 0.044 nan 4.420 nan 0.000 0.241 287 P C 0.404 177.570 177.300 -0.223 0.000 1.191 287 P CA 0.413 63.384 63.100 -0.214 0.000 0.771 287 P CB 0.244 31.866 31.700 -0.130 0.000 0.929 288 S N -1.379 114.201 115.700 -0.199 0.000 2.489 288 S HA 0.627 5.096 4.470 -0.001 0.000 0.237 288 S C 0.359 174.847 174.600 -0.187 0.000 1.220 288 S CA -0.742 57.364 58.200 -0.157 0.000 1.231 288 S CB -0.483 62.658 63.200 -0.097 0.000 0.900 288 S HN 0.023 nan 8.310 nan 0.000 0.492 289 A N 0.907 123.529 122.820 -0.330 0.000 2.331 289 A HA 0.746 5.065 4.320 -0.001 0.000 0.320 289 A C 0.131 177.586 177.584 -0.215 0.000 1.138 289 A CA -0.636 51.190 52.037 -0.351 0.000 0.790 289 A CB 1.368 19.895 19.000 -0.787 0.000 1.206 289 A HN 0.410 nan 8.150 nan 0.000 0.470 290 S N 2.926 118.647 115.700 0.035 0.000 2.481 290 S HA 0.298 4.767 4.470 -0.001 0.000 0.282 290 S C -2.137 172.662 174.600 0.331 0.000 1.243 290 S CA -0.988 57.290 58.200 0.131 0.000 1.078 290 S CB -0.124 63.139 63.200 0.105 0.000 0.916 290 S HN 0.422 nan 8.310 nan 0.000 0.495 291 P HA 0.073 nan 4.420 nan 0.000 0.188 291 P C 0.566 178.004 177.300 0.231 0.000 1.353 291 P CA 0.795 64.131 63.100 0.393 0.000 1.027 291 P CB -0.603 31.232 31.700 0.225 0.000 1.709 292 G N -0.299 108.631 108.800 0.217 0.000 4.106 292 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.220 292 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.220 292 G C 0.016 174.959 174.900 0.072 0.000 0.853 292 G CA -0.423 44.729 45.100 0.086 0.000 0.920 292 G HN 0.391 nan 8.290 nan 0.000 0.715 293 D N 1.276 121.757 120.400 0.137 0.000 2.249 293 D HA 0.562 5.201 4.640 -0.001 0.000 0.269 293 D C 2.061 178.383 176.300 0.037 0.000 1.220 293 D CA 0.310 54.375 54.000 0.107 0.000 1.016 293 D CB -0.297 40.609 40.800 0.176 0.000 1.133 293 D HN 0.313 nan 8.370 nan 0.000 0.533 294 A N -0.435 122.412 122.820 0.045 0.000 1.858 294 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 294 A C 2.230 179.785 177.584 -0.050 0.000 1.190 294 A CA 2.471 54.511 52.037 0.005 0.000 0.617 294 A CB -1.712 17.305 19.000 0.028 0.000 0.827 294 A HN 0.612 nan 8.150 nan 0.000 0.443 295 G N -0.605 108.198 108.800 0.005 0.000 2.513 295 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.219 295 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.219 295 G C 1.505 176.032 174.900 -0.621 0.000 1.160 295 G CA 1.179 46.226 45.100 -0.087 0.000 0.767 295 G HN 0.502 nan 8.290 nan 0.000 0.571 296 E N 0.371 120.023 120.200 -0.912 0.000 2.110 296 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 296 E C 2.671 178.963 176.600 -0.513 0.000 0.988 296 E CA 1.396 57.159 56.400 -1.061 0.000 0.804 296 E CB -0.220 29.112 29.700 -0.613 0.000 0.745 296 E HN 0.817 nan 8.360 nan 0.000 0.458 297 Q N 0.201 119.826 119.800 -0.291 0.000 2.016 297 Q HA -0.102 4.237 4.340 -0.001 0.000 0.200 297 Q C 2.132 178.040 176.000 -0.152 0.000 0.978 297 Q CA 1.577 57.279 55.803 -0.168 0.000 0.833 297 Q CB -0.404 28.278 28.738 -0.094 0.000 0.895 297 Q HN 0.107 nan 8.270 nan 0.000 0.427 298 A N 1.555 124.290 122.820 -0.142 0.000 1.971 298 A HA -0.212 4.107 4.320 -0.001 0.000 0.222 298 A C 2.143 179.664 177.584 -0.105 0.000 1.182 298 A CA 1.825 53.804 52.037 -0.097 0.000 0.649 298 A CB -0.868 18.092 19.000 -0.067 0.000 0.818 298 A HN 0.534 nan 8.150 nan 0.000 0.458 299 I N -1.161 119.309 120.570 -0.167 0.000 2.226 299 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 299 I C 2.710 178.760 176.117 -0.111 0.000 1.100 299 I CA 1.109 62.323 61.300 -0.144 0.000 1.374 299 I CB -0.318 37.547 38.000 -0.224 0.000 1.057 299 I HN 0.250 nan 8.210 nan 0.000 0.413 300 R N 0.385 120.809 120.500 -0.126 0.000 2.075 300 R HA -0.121 4.219 4.340 -0.001 0.000 0.232 300 R C 2.168 178.435 176.300 -0.056 0.000 1.126 300 R CA 1.011 57.063 56.100 -0.081 0.000 0.963 300 R CB -0.846 29.408 30.300 -0.076 0.000 0.858 300 R HN 0.437 nan 8.270 nan 0.000 0.435 301 Q N 0.842 120.608 119.800 -0.058 0.000 2.030 301 Q HA -0.109 4.230 4.340 -0.001 0.000 0.204 301 Q C 2.339 178.316 176.000 -0.039 0.000 0.986 301 Q CA 1.427 57.205 55.803 -0.041 0.000 0.843 301 Q CB -0.362 28.354 28.738 -0.038 0.000 0.904 301 Q HN 0.297 nan 8.270 nan 0.000 0.420 302 I N 0.765 121.310 120.570 -0.042 0.000 2.145 302 I HA -0.349 3.820 4.170 -0.001 0.000 0.244 302 I C 2.269 178.363 176.117 -0.039 0.000 1.075 302 I CA 1.192 62.470 61.300 -0.036 0.000 1.332 302 I CB -0.296 37.684 38.000 -0.033 0.000 1.033 302 I HN 0.184 nan 8.210 nan 0.000 0.410 303 L N -0.085 121.110 121.223 -0.047 0.000 2.362 303 L HA -0.207 4.132 4.340 -0.001 0.000 0.219 303 L C 2.018 178.849 176.870 -0.065 0.000 1.134 303 L CA 1.113 55.921 54.840 -0.054 0.000 0.807 303 L CB -0.718 41.308 42.059 -0.056 0.000 0.927 303 L HN 0.373 nan 8.230 nan 0.000 0.447 304 D N 0.112 120.478 120.400 -0.056 0.000 2.106 304 D HA -0.175 4.464 4.640 -0.001 0.000 0.203 304 D C 2.021 178.290 176.300 -0.052 0.000 0.977 304 D CA 1.013 54.978 54.000 -0.058 0.000 0.844 304 D CB 0.159 40.937 40.800 -0.037 0.000 1.002 304 D HN 0.113 nan 8.370 nan 0.000 0.461 305 E N 0.706 120.883 120.200 -0.039 0.000 2.171 305 E HA -0.202 4.147 4.350 -0.001 0.000 0.197 305 E C 2.128 178.706 176.600 -0.037 0.000 0.997 305 E CA 1.062 57.443 56.400 -0.032 0.000 0.810 305 E CB -0.492 29.194 29.700 -0.023 0.000 0.738 305 E HN 0.434 nan 8.360 nan 0.000 0.467 306 A N 1.490 124.285 122.820 -0.042 0.000 1.858 306 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 306 A C 2.565 180.117 177.584 -0.053 0.000 1.190 306 A CA 1.977 53.989 52.037 -0.043 0.000 0.617 306 A CB -1.156 17.818 19.000 -0.042 0.000 0.827 306 A HN 0.356 nan 8.150 nan 0.000 0.443 307 G N -0.923 107.836 108.800 -0.067 0.000 2.448 307 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.218 307 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.218 307 G C 1.607 176.462 174.900 -0.075 0.000 1.135 307 G CA 0.966 46.019 45.100 -0.079 0.000 0.784 307 G HN 0.551 nan 8.290 nan 0.000 0.543 308 K N -0.229 120.132 120.400 -0.066 0.000 2.063 308 K HA -0.035 4.284 4.320 -0.001 0.000 0.208 308 K C 2.520 179.083 176.600 -0.062 0.000 1.048 308 K CA 1.067 57.317 56.287 -0.062 0.000 0.928 308 K CB -0.211 32.263 32.500 -0.045 0.000 0.713 308 K HN 0.208 nan 8.250 nan 0.000 0.442 309 V N 0.196 120.080 119.914 -0.051 0.000 2.379 309 V HA -0.127 3.992 4.120 -0.001 0.000 0.245 309 V C 2.252 178.314 176.094 -0.053 0.000 1.044 309 V CA 2.037 64.310 62.300 -0.045 0.000 1.036 309 V CB -0.498 31.305 31.823 -0.033 0.000 0.664 309 V HN 0.525 nan 8.190 nan 0.000 0.453 310 G N -0.579 108.187 108.800 -0.057 0.000 2.476 310 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.218 310 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.218 310 G C 1.451 176.308 174.900 -0.071 0.000 1.164 310 G CA 1.186 46.250 45.100 -0.060 0.000 0.768 310 G HN 0.500 nan 8.290 nan 0.000 0.560 311 E N -0.037 120.113 120.200 -0.084 0.000 2.204 311 E HA 0.029 4.378 4.350 -0.001 0.000 0.195 311 E C 2.437 178.971 176.600 -0.110 0.000 0.990 311 E CA 0.395 56.733 56.400 -0.103 0.000 0.821 311 E CB -0.245 29.385 29.700 -0.116 0.000 0.750 311 E HN 0.483 nan 8.360 nan 0.000 0.477 312 L N -0.514 120.652 121.223 -0.095 0.000 2.492 312 L HA 0.043 4.382 4.340 -0.001 0.000 0.223 312 L C 0.708 177.535 176.870 -0.072 0.000 1.132 312 L CA -0.298 54.486 54.840 -0.092 0.000 0.850 312 L CB 0.047 42.063 42.059 -0.071 0.000 0.966 312 L HN 0.171 nan 8.230 nan 0.000 0.454 313 C N -0.218 119.043 119.300 -0.064 0.000 2.590 313 C HA 0.706 5.165 4.460 -0.001 0.000 0.354 313 C C 0.767 175.723 174.990 -0.056 0.000 1.622 313 C CA -0.857 58.130 59.018 -0.051 0.000 2.050 313 C CB 0.996 28.710 27.740 -0.044 0.000 1.960 313 C HN 0.395 nan 8.230 nan 0.000 0.550 314 A N -0.081 122.711 122.820 -0.046 0.000 2.356 314 A HA 0.642 4.961 4.320 -0.001 0.000 0.310 314 A C 0.683 178.243 177.584 -0.041 0.000 1.075 314 A CA 0.430 52.439 52.037 -0.046 0.000 0.746 314 A CB 0.389 19.366 19.000 -0.038 0.000 1.221 314 A HN 1.969 nan 8.150 nan 0.000 0.443 315 G N 2.489 111.262 108.800 -0.045 0.000 2.740 315 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.365 315 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.365 315 G C 1.521 176.400 174.900 -0.034 0.000 1.135 315 G CA 1.498 46.575 45.100 -0.039 0.000 0.948 315 G HN 0.897 nan 8.290 nan 0.000 0.629 316 K N 0.655 121.039 120.400 -0.026 0.000 1.977 316 K HA -0.235 4.084 4.320 -0.001 0.000 0.231 316 K C 2.525 179.110 176.600 -0.025 0.000 1.040 316 K CA 2.561 58.834 56.287 -0.023 0.000 1.029 316 K CB -0.567 31.922 32.500 -0.018 0.000 0.737 316 K HN 0.649 nan 8.250 nan 0.000 0.446 317 E N 0.423 120.607 120.200 -0.025 0.000 2.130 317 E HA -0.188 4.161 4.350 -0.001 0.000 0.196 317 E C 1.984 178.564 176.600 -0.034 0.000 0.998 317 E CA 1.000 57.384 56.400 -0.027 0.000 0.806 317 E CB -0.206 29.479 29.700 -0.025 0.000 0.738 317 E HN 0.207 nan 8.360 nan 0.000 0.459 318 R N 0.971 121.446 120.500 -0.040 0.000 2.080 318 R HA -0.061 4.278 4.340 -0.001 0.000 0.236 318 R C 2.147 178.417 176.300 -0.050 0.000 1.137 318 R CA 1.675 57.745 56.100 -0.051 0.000 0.943 318 R CB -0.152 30.112 30.300 -0.060 0.000 0.846 318 R HN 0.141 nan 8.270 nan 0.000 0.431 319 R N 0.072 120.546 120.500 -0.043 0.000 2.148 319 R HA -0.040 4.299 4.340 -0.001 0.000 0.223 319 R C 2.229 178.509 176.300 -0.033 0.000 1.088 319 R CA 1.202 57.278 56.100 -0.040 0.000 0.985 319 R CB 0.054 30.334 30.300 -0.033 0.000 0.880 319 R HN 0.413 nan 8.270 nan 0.000 0.451 320 E N 0.402 120.585 120.200 -0.029 0.000 2.072 320 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 320 E C 1.977 178.561 176.600 -0.027 0.000 0.985 320 E CA 1.022 57.407 56.400 -0.024 0.000 0.801 320 E CB -0.012 29.675 29.700 -0.020 0.000 0.750 320 E HN 0.334 nan 8.360 nan 0.000 0.452 321 I N 1.339 121.890 120.570 -0.032 0.000 2.163 321 I HA -0.277 3.893 4.170 -0.001 0.000 0.240 321 I C 2.524 178.615 176.117 -0.043 0.000 1.081 321 I CA 1.086 62.364 61.300 -0.036 0.000 1.353 321 I CB -0.376 37.600 38.000 -0.039 0.000 1.054 321 I HN 0.110 nan 8.210 nan 0.000 0.407 322 L N 0.549 121.741 121.223 -0.051 0.000 2.042 322 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 322 L C 2.761 179.601 176.870 -0.050 0.000 1.076 322 L CA 1.691 56.495 54.840 -0.060 0.000 0.749 322 L CB -1.500 40.518 42.059 -0.068 0.000 0.893 322 L HN 0.332 nan 8.230 nan 0.000 0.432 323 G N -0.398 108.380 108.800 -0.038 0.000 2.491 323 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.218 323 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.218 323 G C 1.563 176.449 174.900 -0.024 0.000 1.180 323 G CA 1.486 46.569 45.100 -0.028 0.000 0.774 323 G HN 0.271 nan 8.290 nan 0.000 0.562 324 T N 0.453 114.993 114.554 -0.024 0.000 2.635 324 T HA -0.241 4.108 4.350 -0.001 0.000 0.267 324 T C 2.515 177.201 174.700 -0.023 0.000 1.040 324 T CA 1.593 63.682 62.100 -0.020 0.000 1.156 324 T CB -0.654 68.203 68.868 -0.019 0.000 0.863 324 T HN 0.401 nan 8.240 nan 0.000 0.430 325 C N 1.417 120.696 119.300 -0.035 0.000 2.398 325 C HA -0.027 4.433 4.460 -0.001 0.000 0.276 325 C C 1.840 176.807 174.990 -0.039 0.000 1.222 325 C CA 0.174 59.166 59.018 -0.043 0.000 1.746 325 C CB -0.772 26.929 27.740 -0.066 0.000 2.039 325 C HN 0.472 nan 8.230 nan 0.000 0.470 329 G N 0.023 108.821 108.800 -0.003 0.000 2.395 329 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.214 329 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.214 329 G C 0.698 175.606 174.900 0.014 0.000 1.177 329 G CA 0.397 45.495 45.100 -0.002 0.000 0.794 329 G HN 0.286 nan 8.290 nan 0.000 0.532 333 D N 2.255 122.693 120.400 0.063 0.000 2.087 333 D HA -0.084 4.556 4.640 -0.001 0.000 0.192 333 D C 2.138 178.483 176.300 0.075 0.000 0.993 333 D CA 1.583 55.620 54.000 0.061 0.000 0.828 333 D CB -0.174 40.651 40.800 0.041 0.000 0.968 333 D HN 0.447 nan 8.370 nan 0.000 0.448 334 Q N 0.190 120.028 119.800 0.064 0.000 2.077 334 Q HA -0.145 4.194 4.340 -0.001 0.000 0.206 334 Q C 2.301 178.345 176.000 0.075 0.000 0.989 334 Q CA 1.130 56.967 55.803 0.058 0.000 0.853 334 Q CB -0.219 28.546 28.738 0.046 0.000 0.907 334 Q HN 0.118 nan 8.270 nan 0.000 0.418 335 V N 0.673 120.651 119.914 0.108 0.000 2.220 335 V HA -0.330 3.789 4.120 -0.001 0.000 0.242 335 V C 2.164 178.344 176.094 0.142 0.000 1.041 335 V CA 1.980 64.357 62.300 0.128 0.000 0.990 335 V CB -1.171 30.774 31.823 0.203 0.000 0.634 335 V HN 0.520 nan 8.190 nan 0.000 0.452 336 A N -0.416 122.586 122.820 0.303 0.000 2.042 336 A HA -0.344 3.975 4.320 -0.001 0.000 0.222 336 A C 2.054 179.731 177.584 0.155 0.000 1.167 336 A CA 2.209 54.448 52.037 0.336 0.000 0.649 336 A CB -0.786 18.531 19.000 0.530 0.000 0.809 336 A HN 0.746 nan 8.150 nan 0.000 0.457 337 D N 0.471 120.940 120.400 0.114 0.000 2.081 337 D HA -0.157 4.482 4.640 -0.001 0.000 0.194 337 D C 1.885 178.210 176.300 0.042 0.000 0.986 337 D CA 1.676 55.716 54.000 0.067 0.000 0.837 337 D CB -0.355 40.477 40.800 0.054 0.000 0.985 337 D HN 0.432 nan 8.370 nan 0.000 0.448 338 L N 0.088 121.330 121.223 0.032 0.000 2.270 338 L HA -0.160 4.179 4.340 -0.001 0.000 0.217 338 L C 2.677 179.545 176.870 -0.004 0.000 1.107 338 L CA 0.894 55.740 54.840 0.011 0.000 0.772 338 L CB -0.571 41.491 42.059 0.005 0.000 0.902 338 L HN 0.012 nan 8.230 nan 0.000 0.439 339 R N 0.336 120.833 120.500 -0.005 0.000 2.235 339 R HA 0.035 4.374 4.340 -0.001 0.000 0.213 339 R C 1.442 177.737 176.300 -0.008 0.000 1.059 339 R CA 0.714 56.795 56.100 -0.031 0.000 0.997 339 R CB -0.085 30.177 30.300 -0.064 0.000 0.884 339 R HN 0.275 nan 8.270 nan 0.000 0.462 340 A N 0.452 123.278 122.820 0.011 0.000 3.105 340 A HA 0.260 4.579 4.320 -0.001 0.000 0.272 340 A C 0.740 178.328 177.584 0.006 0.000 1.466 340 A CA -0.073 51.973 52.037 0.014 0.000 1.101 340 A CB -0.024 18.992 19.000 0.025 0.000 1.065 340 A HN 0.219 nan 8.150 nan 0.000 0.643 341 R N -2.058 118.441 120.500 -0.002 0.000 2.243 341 R HA 0.191 4.530 4.340 -0.001 0.000 0.168 341 R C 1.115 177.410 176.300 -0.009 0.000 0.848 341 R CA 0.834 56.932 56.100 -0.004 0.000 1.662 341 R CB 0.272 30.570 30.300 -0.002 0.000 1.566 341 R HN 1.000 nan 8.270 nan 0.000 0.460 342 G N 1.164 109.956 108.800 -0.014 0.000 2.194 342 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.236 342 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.236 342 G C 0.228 175.113 174.900 -0.025 0.000 0.987 342 G CA 0.350 45.438 45.100 -0.020 0.000 0.635 342 G HN 0.371 nan 8.290 nan 0.000 0.520 343 Q N 0.805 120.591 119.800 -0.022 0.000 2.297 343 Q HA 0.529 4.868 4.340 -0.001 0.000 0.265 343 Q C 1.866 177.845 176.000 -0.034 0.000 0.904 343 Q CA 0.303 56.092 55.803 -0.024 0.000 0.969 343 Q CB 0.396 29.124 28.738 -0.016 0.000 1.115 343 Q HN 0.460 nan 8.270 nan 0.000 0.433 344 G N 1.331 110.101 108.800 -0.049 0.000 2.509 344 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.218 344 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.218 344 G C 1.423 176.279 174.900 -0.073 0.000 1.124 344 G CA 0.848 45.903 45.100 -0.076 0.000 0.776 344 G HN 0.512 nan 8.290 nan 0.000 0.547 345 S N -0.544 115.123 115.700 -0.055 0.000 2.577 345 S HA 0.306 4.775 4.470 -0.001 0.000 0.219 345 S C 1.037 175.618 174.600 -0.033 0.000 0.962 345 S CA 0.412 58.584 58.200 -0.046 0.000 0.921 345 S CB 0.001 63.176 63.200 -0.041 0.000 0.789 345 S HN 0.187 nan 8.310 nan 0.000 0.497 346 S N 3.327 119.009 115.700 -0.029 0.000 2.558 346 S HA 0.145 4.615 4.470 -0.001 0.000 0.287 346 S C -0.853 173.736 174.600 -0.018 0.000 1.321 346 S CA -0.838 57.351 58.200 -0.020 0.000 1.048 346 S CB 0.639 63.830 63.200 -0.016 0.000 0.844 346 S HN 0.317 nan 8.310 nan 0.000 0.512 347 P HA -0.109 nan 4.420 nan 0.000 0.218 347 P C 1.412 178.707 177.300 -0.008 0.000 1.148 347 P CA 1.181 64.275 63.100 -0.011 0.000 0.822 347 P CB -0.283 31.413 31.700 -0.007 0.000 0.784 348 V N -0.337 119.574 119.914 -0.006 0.000 2.453 348 V HA -0.020 4.099 4.120 -0.001 0.000 0.247 348 V C 1.845 177.937 176.094 -0.002 0.000 1.048 348 V CA 0.949 63.248 62.300 -0.001 0.000 1.049 348 V CB -1.861 29.964 31.823 0.002 0.000 0.672 348 V HN 0.110 nan 8.190 nan 0.000 0.457 352 K N -0.623 119.789 120.400 0.021 0.000 2.387 352 K HA 0.396 4.716 4.320 -0.001 0.000 0.197 352 K C 1.561 178.191 176.600 0.051 0.000 1.127 352 K CA 0.803 57.110 56.287 0.033 0.000 0.950 352 K CB 0.435 32.957 32.500 0.036 0.000 1.017 352 K HN 0.099 nan 8.250 nan 0.000 0.519 353 A N 0.576 123.425 122.820 0.049 0.000 2.067 353 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 353 A C 1.849 179.472 177.584 0.065 0.000 1.158 353 A CA 1.357 53.439 52.037 0.075 0.000 0.661 353 A CB -0.154 18.868 19.000 0.036 0.000 0.801 353 A HN 0.142 nan 8.150 nan 0.000 0.452 354 Q N -1.141 118.684 119.800 0.040 0.000 2.226 354 Q HA 0.004 4.343 4.340 -0.001 0.000 0.199 354 Q C 2.112 178.132 176.000 0.034 0.000 0.945 354 Q CA 1.433 57.257 55.803 0.034 0.000 0.861 354 Q CB -0.311 28.439 28.738 0.021 0.000 0.953 354 Q HN 0.780 nan 8.270 nan 0.000 0.490 355 Q N -0.371 119.447 119.800 0.031 0.000 2.152 355 Q HA -0.168 4.171 4.340 -0.001 0.000 0.206 355 Q C 1.542 177.561 176.000 0.032 0.000 0.985 355 Q CA 1.959 57.779 55.803 0.027 0.000 0.863 355 Q CB -0.007 28.746 28.738 0.026 0.000 0.904 355 Q HN 0.250 nan 8.270 nan 0.000 0.422 356 V N -0.295 119.645 119.914 0.045 0.000 2.407 356 V HA -0.161 3.958 4.120 -0.001 0.000 0.245 356 V C 2.284 178.405 176.094 0.045 0.000 1.041 356 V CA 1.571 63.899 62.300 0.047 0.000 1.040 356 V CB -0.473 31.392 31.823 0.069 0.000 0.671 356 V HN 0.457 nan 8.190 nan 0.000 0.455 357 S N -0.551 115.182 115.700 0.055 0.000 2.400 357 S HA -0.279 4.190 4.470 -0.001 0.000 0.232 357 S C 1.999 176.618 174.600 0.033 0.000 1.025 357 S CA 1.922 60.153 58.200 0.050 0.000 0.993 357 S CB -0.175 63.059 63.200 0.057 0.000 0.808 357 S HN 0.702 nan 8.310 nan 0.000 0.478 358 Q N -0.325 119.492 119.800 0.028 0.000 2.187 358 Q HA 0.083 4.422 4.340 -0.001 0.000 0.199 358 Q C 2.375 178.384 176.000 0.015 0.000 0.957 358 Q CA 0.971 56.786 55.803 0.020 0.000 0.857 358 Q CB -0.470 28.278 28.738 0.017 0.000 0.929 358 Q HN 0.669 nan 8.270 nan 0.000 0.453 359 G N 0.960 109.770 108.800 0.016 0.000 2.408 359 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.217 359 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.217 359 G C 1.379 176.284 174.900 0.007 0.000 1.150 359 G CA 0.323 45.429 45.100 0.011 0.000 0.776 359 G HN 0.178 nan 8.290 nan 0.000 0.542 360 L N 0.451 121.681 121.223 0.011 0.000 2.127 360 L HA -0.102 4.237 4.340 -0.001 0.000 0.211 360 L C 2.391 179.264 176.870 0.005 0.000 1.089 360 L CA 1.184 56.028 54.840 0.006 0.000 0.757 360 L CB -0.293 41.772 42.059 0.011 0.000 0.899 360 L HN 0.152 nan 8.230 nan 0.000 0.434 361 D N -0.623 119.781 120.400 0.008 0.000 2.149 361 D HA -0.111 4.528 4.640 -0.001 0.000 0.201 361 D C 2.319 178.621 176.300 0.003 0.000 0.972 361 D CA 0.939 54.943 54.000 0.007 0.000 0.835 361 D CB 0.127 40.933 40.800 0.009 0.000 0.966 361 D HN 0.105 nan 8.370 nan 0.000 0.476 362 V N 1.701 121.617 119.914 0.003 0.000 2.261 362 V HA -0.193 3.926 4.120 -0.001 0.000 0.246 362 V C 2.621 178.713 176.094 -0.003 0.000 1.047 362 V CA 1.030 63.331 62.300 0.000 0.000 1.015 362 V CB -0.368 31.455 31.823 0.000 0.000 0.642 362 V HN 0.249 nan 8.190 nan 0.000 0.446 363 L N -0.194 121.026 121.223 -0.005 0.000 1.989 363 L HA -0.237 4.102 4.340 -0.001 0.000 0.211 363 L C 2.588 179.453 176.870 -0.009 0.000 1.071 363 L CA 2.629 57.463 54.840 -0.009 0.000 0.749 363 L CB -0.814 41.238 42.059 -0.012 0.000 0.890 363 L HN 0.414 nan 8.230 nan 0.000 0.431 364 T N 0.131 114.682 114.554 -0.006 0.000 2.737 364 T HA -0.216 4.134 4.350 -0.001 0.000 0.269 364 T C 1.858 176.555 174.700 -0.004 0.000 1.040 364 T CA 1.404 63.501 62.100 -0.005 0.000 1.142 364 T CB -0.307 68.561 68.868 -0.001 0.000 0.861 364 T HN 0.563 nan 8.240 nan 0.000 0.456 365 A N 1.472 124.290 122.820 -0.003 0.000 1.877 365 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 365 A C 2.295 179.876 177.584 -0.005 0.000 1.186 365 A CA 1.514 53.549 52.037 -0.003 0.000 0.620 365 A CB -0.471 18.529 19.000 -0.001 0.000 0.822 365 A HN 0.355 nan 8.150 nan 0.000 0.443 366 K N -0.292 120.104 120.400 -0.007 0.000 2.009 366 K HA -0.156 4.163 4.320 -0.001 0.000 0.210 366 K C 2.135 178.728 176.600 -0.012 0.000 1.049 366 K CA 1.925 58.205 56.287 -0.010 0.000 0.929 366 K CB -0.540 31.953 32.500 -0.013 0.000 0.714 366 K HN 0.493 nan 8.250 nan 0.000 0.440 367 V N 0.080 119.986 119.914 -0.013 0.000 2.343 367 V HA -0.183 3.936 4.120 -0.001 0.000 0.247 367 V C 2.181 178.269 176.094 -0.010 0.000 1.051 367 V CA 1.896 64.187 62.300 -0.014 0.000 1.036 367 V CB -0.340 31.473 31.823 -0.017 0.000 0.654 367 V HN 0.261 nan 8.190 nan 0.000 0.451 368 E N 1.358 121.554 120.200 -0.006 0.000 2.058 368 E HA -0.283 4.067 4.350 -0.001 0.000 0.194 368 E C 2.179 178.777 176.600 -0.003 0.000 0.997 368 E CA 2.067 58.466 56.400 -0.003 0.000 0.801 368 E CB -0.650 29.050 29.700 -0.000 0.000 0.746 368 E HN 0.770 nan 8.360 nan 0.000 0.450 369 N N 0.419 119.116 118.700 -0.005 0.000 2.149 369 N HA -0.135 4.604 4.740 -0.001 0.000 0.188 369 N C 1.570 177.076 175.510 -0.006 0.000 1.019 369 N CA 1.867 54.914 53.050 -0.005 0.000 0.857 369 N CB -0.324 38.159 38.487 -0.005 0.000 0.997 369 N HN 0.171 nan 8.380 nan 0.000 0.426 370 A N 0.273 123.087 122.820 -0.009 0.000 1.898 370 A HA 0.135 4.454 4.320 -0.001 0.000 0.216 370 A C 2.383 179.962 177.584 -0.009 0.000 1.181 370 A CA 1.801 53.831 52.037 -0.012 0.000 0.620 370 A CB -1.241 17.749 19.000 -0.017 0.000 0.819 370 A HN 0.411 nan 8.150 nan 0.000 0.442 371 A N -0.223 122.593 122.820 -0.007 0.000 1.892 371 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 371 A C 2.271 179.855 177.584 0.000 0.000 1.188 371 A CA 1.732 53.768 52.037 -0.002 0.000 0.631 371 A CB -0.580 18.420 19.000 0.000 0.000 0.822 371 A HN 0.519 nan 8.150 nan 0.000 0.447 372 R N -0.172 120.328 120.500 0.000 0.000 2.097 372 R HA -0.194 4.145 4.340 -0.001 0.000 0.236 372 R C 2.270 178.570 176.300 0.000 0.000 1.135 372 R CA 2.093 58.194 56.100 0.001 0.000 0.934 372 R CB -0.412 29.888 30.300 0.000 0.000 0.846 372 R HN 0.618 nan 8.270 nan 0.000 0.431 373 K N 0.355 120.754 120.400 -0.002 0.000 2.113 373 K HA -0.196 4.124 4.320 -0.001 0.000 0.208 373 K C 2.052 178.652 176.600 -0.001 0.000 1.047 373 K CA 1.257 57.542 56.287 -0.003 0.000 0.928 373 K CB -0.300 32.197 32.500 -0.005 0.000 0.716 373 K HN 0.099 nan 8.250 nan 0.000 0.446 374 L N 1.716 122.938 121.223 -0.001 0.000 2.072 374 L HA -0.083 4.256 4.340 -0.001 0.000 0.205 374 L C 2.222 179.096 176.870 0.007 0.000 1.079 374 L CA 1.748 56.589 54.840 0.002 0.000 0.752 374 L CB -0.447 41.613 42.059 0.001 0.000 0.906 374 L HN 0.176 nan 8.230 nan 0.000 0.436 375 E N 0.228 120.432 120.200 0.007 0.000 2.204 375 E HA -0.005 4.345 4.350 -0.001 0.000 0.194 375 E C 1.215 177.818 176.600 0.006 0.000 0.989 375 E CA 0.580 56.985 56.400 0.009 0.000 0.824 375 E CB -0.080 29.626 29.700 0.009 0.000 0.756 375 E HN 0.600 nan 8.360 nan 0.000 0.477 379 N N 1.541 120.243 118.700 0.004 0.000 2.106 379 N HA -0.031 4.709 4.740 -0.001 0.000 0.188 379 N C 1.860 177.369 175.510 -0.002 0.000 1.029 379 N CA 1.475 54.525 53.050 0.001 0.000 0.848 379 N CB -0.053 38.434 38.487 0.000 0.000 1.007 379 N HN 0.113 nan 8.380 nan 0.000 0.423 380 S N 0.915 116.614 115.700 -0.002 0.000 2.359 380 S HA -0.210 4.260 4.470 -0.001 0.000 0.223 380 S C 1.808 176.405 174.600 -0.004 0.000 1.039 380 S CA 1.222 59.419 58.200 -0.004 0.000 1.042 380 S CB -0.234 62.964 63.200 -0.003 0.000 0.915 380 S HN 0.297 nan 8.310 nan 0.000 0.439 381 K N 0.715 121.115 120.400 -0.001 0.000 2.074 381 K HA -0.196 4.123 4.320 -0.001 0.000 0.209 381 K C 2.314 178.911 176.600 -0.004 0.000 1.048 381 K CA 1.603 57.889 56.287 -0.001 0.000 0.926 381 K CB -0.172 32.331 32.500 0.005 0.000 0.713 381 K HN 0.392 nan 8.250 nan 0.000 0.444 382 Q N -0.152 119.646 119.800 -0.004 0.000 2.079 382 Q HA -0.143 4.196 4.340 -0.001 0.000 0.200 382 Q C 2.282 178.277 176.000 -0.010 0.000 0.974 382 Q CA 1.623 57.421 55.803 -0.007 0.000 0.840 382 Q CB -0.069 28.665 28.738 -0.006 0.000 0.898 382 Q HN 0.392 nan 8.270 nan 0.000 0.430 383 S N 0.942 116.637 115.700 -0.009 0.000 2.359 383 S HA -0.198 4.272 4.470 -0.001 0.000 0.222 383 S C 1.993 176.584 174.600 -0.015 0.000 1.038 383 S CA 1.159 59.352 58.200 -0.012 0.000 1.051 383 S CB -0.427 62.765 63.200 -0.013 0.000 0.944 383 S HN 0.350 nan 8.310 nan 0.000 0.433 384 I N 2.090 122.652 120.570 -0.014 0.000 2.143 384 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 384 I C 2.946 179.054 176.117 -0.015 0.000 1.068 384 I CA 1.573 62.864 61.300 -0.015 0.000 1.326 384 I CB -1.168 36.825 38.000 -0.012 0.000 1.028 384 I HN 0.521 nan 8.210 nan 0.000 0.412 385 A N 1.499 124.311 122.820 -0.014 0.000 1.883 385 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 385 A C 2.286 179.861 177.584 -0.014 0.000 1.186 385 A CA 2.166 54.194 52.037 -0.015 0.000 0.624 385 A CB -0.517 18.474 19.000 -0.016 0.000 0.822 385 A HN 0.520 nan 8.150 nan 0.000 0.444 386 K N -0.177 120.215 120.400 -0.013 0.000 2.062 386 K HA -0.068 4.251 4.320 -0.001 0.000 0.205 386 K C 2.013 178.606 176.600 -0.011 0.000 1.051 386 K CA 1.368 57.649 56.287 -0.011 0.000 0.941 386 K CB -0.221 32.273 32.500 -0.011 0.000 0.719 386 K HN 0.340 nan 8.250 nan 0.000 0.440 387 K N 1.266 121.655 120.400 -0.017 0.000 2.032 387 K HA -0.047 4.272 4.320 -0.001 0.000 0.209 387 K C 2.125 178.713 176.600 -0.020 0.000 1.048 387 K CA 1.413 57.685 56.287 -0.025 0.000 0.927 387 K CB -0.164 32.315 32.500 -0.035 0.000 0.712 387 K HN 0.109 nan 8.250 nan 0.000 0.441 388 I N 0.920 121.481 120.570 -0.015 0.000 2.454 388 I HA -0.258 3.912 4.170 -0.001 0.000 0.254 388 I C 1.736 177.857 176.117 0.007 0.000 1.156 388 I CA 1.213 62.510 61.300 -0.005 0.000 1.433 388 I CB -0.336 37.659 38.000 -0.007 0.000 1.082 388 I HN 0.225 nan 8.210 nan 0.000 0.432 389 D N 0.845 121.247 120.400 0.003 0.000 2.194 389 D HA -0.032 4.607 4.640 -0.001 0.000 0.204 389 D C 2.149 178.464 176.300 0.024 0.000 0.964 389 D CA 1.051 55.057 54.000 0.010 0.000 0.846 389 D CB 0.230 41.031 40.800 0.002 0.000 0.962 389 D HN 0.256 nan 8.370 nan 0.000 0.490 390 A N 0.090 122.922 122.820 0.020 0.000 1.970 390 A HA 0.227 4.546 4.320 -0.001 0.000 0.216 390 A C 2.096 179.721 177.584 0.069 0.000 1.170 390 A CA 1.340 53.397 52.037 0.033 0.000 0.645 390 A CB -0.381 18.624 19.000 0.009 0.000 0.816 390 A HN 0.221 nan 8.150 nan 0.000 0.447 391 A N -1.401 121.453 122.820 0.057 0.000 2.251 391 A HA 0.194 4.513 4.320 -0.001 0.000 0.209 391 A C 1.812 179.502 177.584 0.176 0.000 1.187 391 A CA 1.024 53.133 52.037 0.119 0.000 0.823 391 A CB -0.204 18.810 19.000 0.023 0.000 0.846 391 A HN 0.446 nan 8.150 nan 0.000 0.486 392 Q N 0.724 120.588 119.800 0.108 0.000 2.096 392 Q HA -0.083 4.256 4.340 -0.001 0.000 0.197 392 Q C 1.615 177.668 176.000 0.089 0.000 0.964 392 Q CA 2.216 58.068 55.803 0.082 0.000 0.838 392 Q CB -0.283 28.479 28.738 0.040 0.000 0.906 392 Q HN 0.883 nan 8.270 nan 0.000 0.444 393 N N -1.442 117.319 118.700 0.100 0.000 2.250 393 N HA -0.107 4.632 4.740 -0.001 0.000 0.181 393 N C 1.100 176.677 175.510 0.111 0.000 1.017 393 N CA 0.755 53.854 53.050 0.081 0.000 0.866 393 N CB -0.438 38.093 38.487 0.074 0.000 0.985 393 N HN 0.281 nan 8.380 nan 0.000 0.429 394 W N 1.661 122.956 121.300 -0.008 0.000 2.538 394 W HA 0.092 4.751 4.660 -0.001 0.000 0.254 394 W C 0.842 177.357 176.519 -0.008 0.000 1.249 394 W CA 0.649 57.990 57.345 -0.007 0.000 1.253 394 W CB 0.062 29.519 29.460 -0.006 0.000 1.130 394 W HN 0.010 nan 8.180 nan 0.000 0.618 395 L N 0.129 121.396 121.223 0.073 0.000 2.554 395 L HA 0.199 4.538 4.340 -0.001 0.000 0.225 395 L C 2.446 179.234 176.870 -0.136 0.000 1.104 395 L CA 0.618 55.410 54.840 -0.079 0.000 0.866 395 L CB -0.601 41.523 42.059 0.107 0.000 1.047 395 L HN 0.043 nan 8.230 nan 0.000 0.468 396 A N -1.066 121.698 122.820 -0.094 0.000 2.021 396 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 396 A C 0.643 178.155 177.584 -0.120 0.000 1.163 396 A CA 0.579 52.566 52.037 -0.083 0.000 0.676 396 A CB -0.103 18.873 19.000 -0.040 0.000 0.818 396 A HN 0.278 nan 8.150 nan 0.000 0.453 397 D N -1.040 119.254 120.400 -0.176 0.000 2.303 397 D HA 0.427 5.066 4.640 -0.001 0.000 0.236 397 D C -2.376 173.756 176.300 -0.280 0.000 1.068 397 D CA -2.335 51.556 54.000 -0.182 0.000 0.830 397 D CB 1.595 42.312 40.800 -0.139 0.000 1.109 397 D HN -0.090 nan 8.370 nan 0.000 0.496 398 P HA 0.034 nan 4.420 nan 0.000 0.239 398 P C -0.079 177.098 177.300 -0.204 0.000 1.184 398 P CA 0.394 63.362 63.100 -0.220 0.000 0.760 398 P CB 0.153 31.772 31.700 -0.136 0.000 0.884 399 N N 0.140 118.726 118.700 -0.191 0.000 2.660 399 N HA 0.151 4.890 4.740 -0.001 0.000 0.316 399 N C 0.439 175.869 175.510 -0.134 0.000 1.774 399 N CA -0.049 52.924 53.050 -0.128 0.000 0.946 399 N CB 0.553 38.996 38.487 -0.074 0.000 1.322 399 N HN -0.010 nan 8.380 nan 0.000 0.492 400 G N -1.056 107.591 108.800 -0.255 0.000 2.553 400 G HA2 0.549 4.508 3.960 -0.001 0.000 0.278 400 G HA3 0.549 4.508 3.960 -0.001 0.000 0.278 400 G C -0.096 174.912 174.900 0.179 0.000 1.349 400 G CA -0.359 44.633 45.100 -0.179 0.000 1.037 400 G HN 0.201 nan 8.290 nan 0.000 0.508 401 G N -1.723 107.348 108.800 0.452 0.000 2.662 401 G HA2 0.524 4.483 3.960 -0.001 0.000 0.302 401 G HA3 0.524 4.483 3.960 -0.001 0.000 0.302 401 G C -1.863 173.208 174.900 0.285 0.000 1.389 401 G CA -0.997 44.280 45.100 0.296 0.000 0.998 401 G HN 0.229 nan 8.290 nan 0.000 0.502 402 P HA -0.300 nan 4.420 nan 0.000 0.227 402 P C 1.333 178.577 177.300 -0.094 0.000 1.154 402 P CA 1.743 64.859 63.100 0.027 0.000 0.879 402 P CB 0.413 32.129 31.700 0.027 0.000 0.779 403 E N -0.911 119.262 120.200 -0.045 0.000 2.012 403 E HA -0.141 4.208 4.350 -0.001 0.000 0.197 403 E C 2.462 178.932 176.600 -0.218 0.000 1.007 403 E CA 1.760 58.111 56.400 -0.082 0.000 0.816 403 E CB -1.812 27.884 29.700 -0.007 0.000 0.762 403 E HN 0.240 nan 8.360 nan 0.000 0.451 404 G N 0.614 109.264 108.800 -0.250 0.000 2.475 404 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.220 404 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.220 404 G C 1.465 175.643 174.900 -1.202 0.000 1.125 404 G CA 1.044 45.813 45.100 -0.552 0.000 0.755 404 G HN 0.334 nan 8.290 nan 0.000 0.565 405 E N -0.052 119.317 120.200 -1.385 0.000 2.358 405 E HA -0.056 4.294 4.350 -0.001 0.000 0.195 405 E C 1.975 178.253 176.600 -0.537 0.000 1.010 405 E CA 0.423 56.131 56.400 -1.153 0.000 0.856 405 E CB 0.070 29.340 29.700 -0.717 0.000 0.795 405 E HN 0.382 nan 8.360 nan 0.000 0.504 406 E N 0.076 120.045 120.200 -0.385 0.000 2.478 406 E HA -0.052 4.297 4.350 -0.001 0.000 0.194 406 E C 1.456 177.942 176.600 -0.190 0.000 1.045 406 E CA 0.421 56.689 56.400 -0.220 0.000 0.868 406 E CB 0.238 29.852 29.700 -0.144 0.000 0.885 406 E HN 0.169 nan 8.360 nan 0.000 0.505 407 Q N -0.605 119.050 119.800 -0.241 0.000 2.339 407 Q HA 0.161 4.500 4.340 -0.001 0.000 0.205 407 Q C 1.849 177.756 176.000 -0.154 0.000 0.925 407 Q CA 0.466 56.171 55.803 -0.163 0.000 0.898 407 Q CB 0.447 29.101 28.738 -0.141 0.000 1.013 407 Q HN 0.414 nan 8.270 nan 0.000 0.504 408 I N 0.264 120.701 120.570 -0.222 0.000 2.876 408 I HA -0.118 4.051 4.170 -0.001 0.000 0.264 408 I C 1.979 178.019 176.117 -0.128 0.000 1.204 408 I CA 0.299 61.499 61.300 -0.167 0.000 1.485 408 I CB 0.105 37.976 38.000 -0.215 0.000 1.103 408 I HN -0.012 nan 8.210 nan 0.000 0.446 409 R N 0.927 121.342 120.500 -0.142 0.000 2.075 409 R HA 0.053 4.393 4.340 -0.001 0.000 0.226 409 R C 2.290 178.545 176.300 -0.075 0.000 1.114 409 R CA 1.284 57.324 56.100 -0.100 0.000 0.972 409 R CB -1.314 28.924 30.300 -0.103 0.000 0.869 409 R HN 0.329 nan 8.270 nan 0.000 0.437 410 G N 0.671 109.424 108.800 -0.079 0.000 2.422 410 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 410 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 410 G C 1.582 176.453 174.900 -0.048 0.000 1.146 410 G CA 0.977 46.042 45.100 -0.058 0.000 0.769 410 G HN 0.411 nan 8.290 nan 0.000 0.547 411 A N 1.029 123.817 122.820 -0.053 0.000 1.865 411 A HA 0.008 4.328 4.320 -0.001 0.000 0.217 411 A C 2.422 179.986 177.584 -0.032 0.000 1.191 411 A CA 1.528 53.541 52.037 -0.040 0.000 0.623 411 A CB -0.475 18.500 19.000 -0.042 0.000 0.826 411 A HN 0.367 nan 8.150 nan 0.000 0.444 412 L N -1.041 120.160 121.223 -0.036 0.000 2.141 412 L HA -0.118 4.221 4.340 -0.001 0.000 0.209 412 L C 2.962 179.818 176.870 -0.024 0.000 1.094 412 L CA 1.024 55.847 54.840 -0.028 0.000 0.763 412 L CB -0.912 41.130 42.059 -0.029 0.000 0.908 412 L HN 0.409 nan 8.230 nan 0.000 0.437 413 A N 0.393 123.196 122.820 -0.029 0.000 1.898 413 A HA -0.223 4.097 4.320 -0.001 0.000 0.216 413 A C 2.239 179.811 177.584 -0.020 0.000 1.181 413 A CA 1.797 53.819 52.037 -0.024 0.000 0.620 413 A CB -0.381 18.602 19.000 -0.028 0.000 0.819 413 A HN 0.364 nan 8.150 nan 0.000 0.442 414 E N -0.070 120.117 120.200 -0.021 0.000 2.072 414 E HA 0.023 4.372 4.350 -0.001 0.000 0.190 414 E C 2.016 178.608 176.600 -0.013 0.000 0.982 414 E CA 1.208 57.598 56.400 -0.016 0.000 0.803 414 E CB -0.371 29.319 29.700 -0.017 0.000 0.755 414 E HN 0.484 nan 8.360 nan 0.000 0.453 415 A N 0.493 123.305 122.820 -0.014 0.000 2.070 415 A HA -0.175 4.144 4.320 -0.001 0.000 0.220 415 A C 2.114 179.693 177.584 -0.009 0.000 1.159 415 A CA 1.571 53.601 52.037 -0.010 0.000 0.656 415 A CB -0.499 18.495 19.000 -0.011 0.000 0.800 415 A HN 0.184 nan 8.150 nan 0.000 0.453 416 R N -0.237 120.256 120.500 -0.011 0.000 2.119 416 R HA -0.017 4.323 4.340 -0.001 0.000 0.222 416 R C 2.146 178.442 176.300 -0.008 0.000 1.088 416 R CA 1.420 57.514 56.100 -0.009 0.000 0.984 416 R CB -0.212 30.081 30.300 -0.011 0.000 0.884 416 R HN 0.477 nan 8.270 nan 0.000 0.447 417 K N 0.612 121.007 120.400 -0.008 0.000 2.057 417 K HA -0.085 4.235 4.320 -0.001 0.000 0.206 417 K C 1.904 178.502 176.600 -0.005 0.000 1.050 417 K CA 1.362 57.645 56.287 -0.007 0.000 0.935 417 K CB -0.035 32.461 32.500 -0.007 0.000 0.715 417 K HN 0.211 nan 8.250 nan 0.000 0.439 418 I N 0.962 121.529 120.570 -0.004 0.000 2.361 418 I HA -0.250 3.919 4.170 -0.001 0.000 0.251 418 I C 2.393 178.509 176.117 -0.002 0.000 1.133 418 I CA 1.017 62.316 61.300 -0.002 0.000 1.413 418 I CB -0.267 37.732 38.000 -0.001 0.000 1.073 418 I HN 0.235 nan 8.210 nan 0.000 0.424 419 A N 0.750 123.568 122.820 -0.003 0.000 1.873 419 A HA -0.193 4.127 4.320 -0.001 0.000 0.215 419 A C 2.171 179.754 177.584 -0.003 0.000 1.186 419 A CA 1.510 53.545 52.037 -0.002 0.000 0.616 419 A CB -0.494 18.504 19.000 -0.003 0.000 0.823 419 A HN 0.415 nan 8.150 nan 0.000 0.442 420 E N -0.320 119.877 120.200 -0.004 0.000 2.017 420 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 420 E C 1.643 178.241 176.600 -0.003 0.000 0.997 420 E CA 1.187 57.585 56.400 -0.004 0.000 0.804 420 E CB -0.357 29.340 29.700 -0.004 0.000 0.757 420 E HN 0.349 nan 8.360 nan 0.000 0.448 421 L N 0.966 122.187 121.223 -0.003 0.000 2.456 421 L HA -0.144 4.196 4.340 -0.001 0.000 0.225 421 L C 0.842 177.711 176.870 -0.003 0.000 1.142 421 L CA 0.773 55.611 54.840 -0.003 0.000 0.796 421 L CB -0.582 41.476 42.059 -0.002 0.000 0.920 421 L HN 0.235 nan 8.230 nan 0.000 0.446 422 C N -0.445 118.853 119.300 -0.003 0.000 2.580 422 C HA 0.154 4.613 4.460 -0.001 0.000 0.371 422 C C 1.740 176.728 174.990 -0.003 0.000 1.308 422 C CA 0.056 59.073 59.018 -0.002 0.000 2.428 422 C CB 0.682 28.421 27.740 -0.001 0.000 2.529 422 C HN 0.693 nan 8.230 nan 0.000 0.657 423 D N -0.746 119.651 120.400 -0.004 0.000 2.520 423 D HA 0.079 4.719 4.640 -0.001 0.000 0.223 423 D C -0.651 175.647 176.300 -0.004 0.000 1.186 423 D CA -0.069 53.928 54.000 -0.005 0.000 0.821 423 D CB -0.050 40.746 40.800 -0.007 0.000 1.072 423 D HN 0.631 nan 8.370 nan 0.000 0.518 424 D N 0.106 120.504 120.400 -0.003 0.000 2.477 424 D HA 0.261 4.900 4.640 -0.001 0.000 0.239 424 D C -1.955 174.345 176.300 -0.001 0.000 1.102 424 D CA -2.143 51.856 54.000 -0.002 0.000 0.901 424 D CB 1.579 42.378 40.800 -0.002 0.000 1.026 424 D HN -0.113 nan 8.370 nan 0.000 0.515 425 P HA -0.306 nan 4.420 nan 0.000 0.218 425 P C 1.477 178.778 177.300 0.001 0.000 1.147 425 P CA 1.426 64.526 63.100 -0.000 0.000 0.827 425 P CB 0.169 31.869 31.700 -0.000 0.000 0.778 426 K N 0.547 120.947 120.400 0.001 0.000 2.057 426 K HA -0.164 4.155 4.320 -0.001 0.000 0.206 426 K C 1.741 178.343 176.600 0.003 0.000 1.050 426 K CA 1.686 57.974 56.287 0.002 0.000 0.935 426 K CB -0.657 31.845 32.500 0.003 0.000 0.715 426 K HN 0.160 nan 8.250 nan 0.000 0.439 427 E N 0.710 120.912 120.200 0.003 0.000 2.072 427 E HA -0.133 4.216 4.350 -0.001 0.000 0.190 427 E C 2.355 178.956 176.600 0.003 0.000 0.982 427 E CA 0.755 57.157 56.400 0.004 0.000 0.803 427 E CB -0.059 29.643 29.700 0.004 0.000 0.755 427 E HN 0.394 nan 8.360 nan 0.000 0.453 428 R N 1.241 121.742 120.500 0.001 0.000 2.105 428 R HA -0.202 4.137 4.340 -0.001 0.000 0.239 428 R C 1.162 177.462 176.300 0.000 0.000 1.135 428 R CA 2.165 58.265 56.100 0.000 0.000 0.967 428 R CB -0.165 30.135 30.300 -0.001 0.000 0.861 428 R HN 0.041 nan 8.270 nan 0.000 0.442 429 D N 0.575 120.976 120.400 0.001 0.000 2.077 429 D HA -0.155 4.484 4.640 -0.001 0.000 0.196 429 D C 1.504 177.805 176.300 0.002 0.000 0.986 429 D CA 1.638 55.639 54.000 0.001 0.000 0.829 429 D CB -0.427 40.374 40.800 0.002 0.000 0.983 429 D HN 0.249 nan 8.370 nan 0.000 0.453 430 D N -0.340 120.061 120.400 0.003 0.000 2.239 430 D HA -0.141 4.498 4.640 -0.001 0.000 0.202 430 D C 1.824 178.125 176.300 0.003 0.000 0.993 430 D CA 0.661 54.663 54.000 0.004 0.000 0.874 430 D CB -0.037 40.767 40.800 0.005 0.000 0.922 430 D HN 0.262 nan 8.370 nan 0.000 0.464 431 I N -0.545 120.026 120.570 0.002 0.000 2.185 431 I HA -0.199 3.970 4.170 -0.001 0.000 0.235 431 I C 2.349 178.465 176.117 -0.001 0.000 1.069 431 I CA 0.367 61.667 61.300 0.000 0.000 1.354 431 I CB -0.312 37.688 38.000 -0.000 0.000 1.093 431 I HN -0.017 nan 8.210 nan 0.000 0.411 432 L N 0.620 121.842 121.223 -0.002 0.000 2.197 432 L HA -0.250 4.089 4.340 -0.001 0.000 0.215 432 L C 2.760 179.629 176.870 -0.002 0.000 1.095 432 L CA 1.102 55.941 54.840 -0.003 0.000 0.764 432 L CB -0.668 41.389 42.059 -0.003 0.000 0.897 432 L HN 0.254 nan 8.230 nan 0.000 0.436 433 R N 0.058 120.558 120.500 -0.000 0.000 2.075 433 R HA -0.127 4.212 4.340 -0.001 0.000 0.230 433 R C 2.517 178.818 176.300 0.000 0.000 1.140 433 R CA 1.829 57.929 56.100 0.001 0.000 0.928 433 R CB -1.373 28.928 30.300 0.002 0.000 0.834 433 R HN 0.491 nan 8.270 nan 0.000 0.429 434 S N 2.367 118.068 115.700 0.001 0.000 2.381 434 S HA -0.187 4.282 4.470 -0.001 0.000 0.230 434 S C 2.287 176.887 174.600 -0.001 0.000 1.052 434 S CA 1.629 59.829 58.200 0.001 0.000 1.068 434 S CB -0.986 62.214 63.200 0.001 0.000 0.918 434 S HN 0.259 nan 8.310 nan 0.000 0.448 435 L N 1.646 122.867 121.223 -0.003 0.000 2.151 435 L HA -0.158 4.181 4.340 -0.001 0.000 0.215 435 L C 2.883 179.750 176.870 -0.005 0.000 1.084 435 L CA 1.391 56.227 54.840 -0.006 0.000 0.764 435 L CB -1.522 40.532 42.059 -0.009 0.000 0.891 435 L HN 0.550 nan 8.230 nan 0.000 0.435 436 G N 0.033 108.832 108.800 -0.003 0.000 2.403 436 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.216 436 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.216 436 G C 1.488 176.389 174.900 0.002 0.000 1.154 436 G CA 0.631 45.731 45.100 -0.001 0.000 0.784 436 G HN 0.540 nan 8.290 nan 0.000 0.538 437 E N 0.825 121.027 120.200 0.003 0.000 2.028 437 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 437 E C 2.554 179.159 176.600 0.009 0.000 0.984 437 E CA 0.718 57.122 56.400 0.006 0.000 0.800 437 E CB -0.460 29.244 29.700 0.006 0.000 0.758 437 E HN 0.495 nan 8.360 nan 0.000 0.448 438 I N 2.120 122.694 120.570 0.006 0.000 2.118 438 I HA -0.300 3.869 4.170 -0.001 0.000 0.241 438 I C 2.898 179.019 176.117 0.006 0.000 1.070 438 I CA 1.566 62.871 61.300 0.008 0.000 1.327 438 I CB -0.626 37.376 38.000 0.002 0.000 1.034 438 I HN 0.069 nan 8.210 nan 0.000 0.405 439 S N 0.271 115.970 115.700 -0.003 0.000 2.392 439 S HA -0.260 4.209 4.470 -0.001 0.000 0.232 439 S C 2.000 176.602 174.600 0.003 0.000 1.041 439 S CA 1.542 59.738 58.200 -0.007 0.000 1.026 439 S CB -0.352 62.841 63.200 -0.011 0.000 0.845 439 S HN 0.497 nan 8.310 nan 0.000 0.465 440 A N 2.218 125.044 122.820 0.009 0.000 1.839 440 A HA 0.052 4.371 4.320 -0.001 0.000 0.213 440 A C 2.027 179.628 177.584 0.027 0.000 1.274 440 A CA 1.511 53.557 52.037 0.015 0.000 0.608 440 A CB -1.386 17.622 19.000 0.013 0.000 0.920 440 A HN 0.605 nan 8.150 nan 0.000 0.465 441 L N -0.573 120.668 121.223 0.030 0.000 2.232 441 L HA -0.312 4.028 4.340 -0.001 0.000 0.219 441 L C 2.332 179.243 176.870 0.069 0.000 1.086 441 L CA 2.149 57.014 54.840 0.042 0.000 0.789 441 L CB -2.060 40.022 42.059 0.037 0.000 0.890 441 L HN 0.450 nan 8.230 nan 0.000 0.441 442 T N -1.757 112.840 114.554 0.071 0.000 2.951 442 T HA -0.063 4.287 4.350 -0.001 0.000 0.268 442 T C 2.140 176.912 174.700 0.119 0.000 1.073 442 T CA 1.321 63.488 62.100 0.112 0.000 1.134 442 T CB 0.054 68.946 68.868 0.041 0.000 0.884 442 T HN 0.312 nan 8.240 nan 0.000 0.479 443 S N 1.093 116.834 115.700 0.068 0.000 2.388 443 S HA 0.040 4.509 4.470 -0.001 0.000 0.223 443 S C 1.940 176.580 174.600 0.067 0.000 1.034 443 S CA 0.582 58.819 58.200 0.062 0.000 0.963 443 S CB -0.031 63.188 63.200 0.032 0.000 0.827 443 S HN 0.404 nan 8.310 nan 0.000 0.481 444 K N 1.392 121.824 120.400 0.054 0.000 2.360 444 K HA 0.045 4.364 4.320 -0.001 0.000 0.201 444 K C 1.650 178.279 176.600 0.049 0.000 1.046 444 K CA 0.611 56.924 56.287 0.043 0.000 0.945 444 K CB -0.075 32.445 32.500 0.032 0.000 0.750 444 K HN 0.309 nan 8.250 nan 0.000 0.464 445 L N -1.346 119.922 121.223 0.076 0.000 2.609 445 L HA 0.262 4.601 4.340 -0.001 0.000 0.230 445 L C 1.909 178.830 176.870 0.085 0.000 1.087 445 L CA 0.264 55.144 54.840 0.066 0.000 0.874 445 L CB 0.093 42.195 42.059 0.072 0.000 1.114 445 L HN 0.090 nan 8.230 nan 0.000 0.488 446 A N -0.010 122.899 122.820 0.148 0.000 1.873 446 A HA -0.219 4.100 4.320 -0.001 0.000 0.215 446 A C 1.837 179.479 177.584 0.096 0.000 1.186 446 A CA 1.847 53.995 52.037 0.184 0.000 0.616 446 A CB -0.710 18.413 19.000 0.204 0.000 0.823 446 A HN 0.493 nan 8.150 nan 0.000 0.442 447 D N -0.006 120.435 120.400 0.069 0.000 2.120 447 D HA -0.154 4.485 4.640 -0.001 0.000 0.191 447 D C 1.590 177.906 176.300 0.027 0.000 0.994 447 D CA 1.374 55.400 54.000 0.043 0.000 0.838 447 D CB -0.345 40.475 40.800 0.033 0.000 0.976 447 D HN 0.147 nan 8.370 nan 0.000 0.447 448 L N 0.238 121.473 121.223 0.019 0.000 2.468 448 L HA -0.149 4.190 4.340 -0.001 0.000 0.225 448 L C 2.115 178.979 176.870 -0.011 0.000 1.139 448 L CA 1.224 56.066 54.840 0.003 0.000 0.792 448 L CB -0.768 41.290 42.059 -0.002 0.000 0.916 448 L HN 0.044 nan 8.230 nan 0.000 0.446 449 R N -0.955 119.540 120.500 -0.008 0.000 2.317 449 R HA 0.069 4.408 4.340 -0.001 0.000 0.208 449 R C 1.500 177.792 176.300 -0.013 0.000 0.914 449 R CA 0.207 56.289 56.100 -0.030 0.000 1.060 449 R CB 0.129 30.397 30.300 -0.053 0.000 1.015 449 R HN 0.404 nan 8.270 nan 0.000 0.498 450 R N -1.706 118.795 120.500 0.001 0.000 2.492 450 R HA 0.030 4.369 4.340 -0.001 0.000 0.219 450 R C 1.073 177.374 176.300 0.002 0.000 0.886 450 R CA -0.002 56.101 56.100 0.005 0.000 1.003 450 R CB -0.032 30.278 30.300 0.017 0.000 1.345 450 R HN 0.064 nan 8.270 nan 0.000 0.631 451 Q N 1.330 121.131 119.800 0.002 0.000 2.228 451 Q HA 0.317 4.657 4.340 -0.001 0.000 0.211 451 Q C 0.087 176.085 176.000 -0.004 0.000 0.890 451 Q CA 0.291 56.095 55.803 0.001 0.000 0.953 451 Q CB 0.732 29.473 28.738 0.004 0.000 1.053 451 Q HN 0.273 nan 8.270 nan 0.000 0.471 452 G N 1.404 110.198 108.800 -0.009 0.000 2.905 452 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.210 452 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.210 452 G C -0.155 174.732 174.900 -0.021 0.000 0.991 452 G CA -0.404 44.687 45.100 -0.014 0.000 1.210 452 G HN 0.184 nan 8.290 nan 0.000 0.602 453 K N 0.502 120.885 120.400 -0.029 0.000 2.370 453 K HA -0.096 4.223 4.320 -0.001 0.000 0.204 453 K C 2.106 178.676 176.600 -0.049 0.000 1.038 453 K CA 2.138 58.397 56.287 -0.045 0.000 0.936 453 K CB -0.404 32.063 32.500 -0.054 0.000 0.737 453 K HN 2.197 nan 8.250 nan 0.000 0.493 454 G N 1.097 109.875 108.800 -0.037 0.000 2.338 454 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.296 454 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.296 454 G C 0.063 174.938 174.900 -0.042 0.000 1.040 454 G CA 0.441 45.520 45.100 -0.034 0.000 1.004 454 G HN 0.322 nan 8.290 nan 0.000 0.509 455 D N 0.089 120.463 120.400 -0.043 0.000 2.271 455 D HA -0.064 4.576 4.640 -0.001 0.000 0.207 455 D C 1.968 178.245 176.300 -0.038 0.000 0.983 455 D CA 1.469 55.441 54.000 -0.047 0.000 0.878 455 D CB -0.107 40.668 40.800 -0.042 0.000 0.920 455 D HN 0.851 nan 8.370 nan 0.000 0.479 456 S N 0.800 116.481 115.700 -0.031 0.000 2.499 456 S HA 0.307 4.777 4.470 -0.001 0.000 0.275 456 S C -2.646 171.940 174.600 -0.025 0.000 1.257 456 S CA -1.531 56.654 58.200 -0.025 0.000 1.050 456 S CB 1.675 64.862 63.200 -0.021 0.000 0.937 456 S HN -0.264 nan 8.310 nan 0.000 0.490 457 P HA -0.043 nan 4.420 nan 0.000 0.212 457 P C 0.322 177.613 177.300 -0.016 0.000 0.974 457 P CA 0.756 63.845 63.100 -0.018 0.000 1.226 457 P CB -0.519 31.175 31.700 -0.010 0.000 1.258 458 E N 2.025 122.213 120.200 -0.019 0.000 2.640 458 E HA 0.114 4.463 4.350 -0.001 0.000 0.197 458 E C 1.202 177.792 176.600 -0.017 0.000 0.925 458 E CA -0.109 56.282 56.400 -0.015 0.000 1.604 458 E CB -0.399 29.292 29.700 -0.015 0.000 1.769 458 E HN 0.185 nan 8.360 nan 0.000 0.965 459 A N 2.365 125.170 122.820 -0.026 0.000 1.943 459 A HA -0.004 4.316 4.320 -0.001 0.000 0.213 459 A C 2.320 179.885 177.584 -0.030 0.000 1.181 459 A CA 1.202 53.220 52.037 -0.032 0.000 0.653 459 A CB -0.421 18.548 19.000 -0.052 0.000 0.833 459 A HN 0.240 nan 8.150 nan 0.000 0.451 460 R N 0.755 121.236 120.500 -0.032 0.000 2.140 460 R HA -0.116 4.223 4.340 -0.001 0.000 0.250 460 R C 1.693 177.983 176.300 -0.016 0.000 1.150 460 R CA 2.071 58.154 56.100 -0.027 0.000 0.966 460 R CB -1.323 28.964 30.300 -0.022 0.000 0.869 460 R HN 0.305 nan 8.270 nan 0.000 0.445 461 A N -0.487 122.327 122.820 -0.011 0.000 2.259 461 A HA 0.052 4.372 4.320 -0.001 0.000 0.212 461 A C 1.727 179.310 177.584 -0.001 0.000 1.178 461 A CA 1.123 53.157 52.037 -0.006 0.000 0.734 461 A CB -0.192 18.805 19.000 -0.004 0.000 0.774 461 A HN 0.390 nan 8.150 nan 0.000 0.481 462 L N -2.973 118.249 121.223 -0.002 0.000 2.664 462 L HA 0.411 4.750 4.340 -0.001 0.000 0.198 462 L C 2.417 179.296 176.870 0.015 0.000 1.057 462 L CA 1.196 56.041 54.840 0.009 0.000 0.871 462 L CB -0.655 41.412 42.059 0.013 0.000 1.364 462 L HN 0.141 nan 8.230 nan 0.000 0.483 463 A N -0.478 122.340 122.820 -0.003 0.000 2.076 463 A HA -0.181 4.138 4.320 -0.001 0.000 0.220 463 A C 2.174 179.762 177.584 0.006 0.000 1.160 463 A CA 1.694 53.727 52.037 -0.006 0.000 0.653 463 A CB -0.322 18.641 19.000 -0.062 0.000 0.801 463 A HN 0.230 nan 8.150 nan 0.000 0.455 464 K N -0.834 119.565 120.400 -0.002 0.000 2.168 464 K HA 0.047 4.367 4.320 -0.001 0.000 0.201 464 K C 2.094 178.696 176.600 0.003 0.000 1.049 464 K CA 1.083 57.368 56.287 -0.004 0.000 0.974 464 K CB -0.440 32.052 32.500 -0.014 0.000 0.792 464 K HN 0.647 nan 8.250 nan 0.000 0.463 465 Q N 0.365 120.169 119.800 0.007 0.000 2.152 465 Q HA -0.143 4.196 4.340 -0.001 0.000 0.206 465 Q C 1.911 177.921 176.000 0.018 0.000 0.985 465 Q CA 1.525 57.334 55.803 0.009 0.000 0.863 465 Q CB 0.136 28.881 28.738 0.012 0.000 0.904 465 Q HN 0.012 nan 8.270 nan 0.000 0.422 466 V N -0.060 119.874 119.914 0.032 0.000 2.302 466 V HA -0.196 3.924 4.120 -0.001 0.000 0.243 466 V C 2.183 178.302 176.094 0.041 0.000 1.036 466 V CA 1.611 63.939 62.300 0.047 0.000 1.020 466 V CB -0.709 31.164 31.823 0.085 0.000 0.657 466 V HN 0.499 nan 8.190 nan 0.000 0.453 467 A N -0.537 122.309 122.820 0.043 0.000 1.997 467 A HA -0.279 4.041 4.320 -0.001 0.000 0.221 467 A C 2.319 179.909 177.584 0.010 0.000 1.172 467 A CA 2.790 54.846 52.037 0.031 0.000 0.645 467 A CB -0.952 18.061 19.000 0.023 0.000 0.813 467 A HN 0.559 nan 8.150 nan 0.000 0.454 468 T N 0.005 114.561 114.554 0.004 0.000 2.732 468 T HA 0.075 4.424 4.350 -0.001 0.000 0.261 468 T C 2.318 177.016 174.700 -0.003 0.000 1.040 468 T CA 1.514 63.611 62.100 -0.006 0.000 1.145 468 T CB -0.572 68.289 68.868 -0.010 0.000 0.866 468 T HN 0.627 nan 8.240 nan 0.000 0.427 469 A N 1.480 124.303 122.820 0.004 0.000 1.917 469 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 469 A C 2.343 179.929 177.584 0.003 0.000 1.182 469 A CA 1.322 53.362 52.037 0.005 0.000 0.633 469 A CB -1.022 17.984 19.000 0.010 0.000 0.819 469 A HN 0.460 nan 8.150 nan 0.000 0.448 470 L N -1.226 120.002 121.223 0.007 0.000 2.042 470 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 470 L C 2.927 179.796 176.870 -0.003 0.000 1.076 470 L CA 1.483 56.326 54.840 0.004 0.000 0.749 470 L CB -0.532 41.533 42.059 0.011 0.000 0.893 470 L HN 0.391 nan 8.230 nan 0.000 0.432 471 Q N 0.220 120.016 119.800 -0.006 0.000 2.124 471 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 471 Q C 1.856 177.849 176.000 -0.013 0.000 0.977 471 Q CA 1.690 57.484 55.803 -0.014 0.000 0.850 471 Q CB -0.506 28.219 28.738 -0.022 0.000 0.901 471 Q HN 0.603 nan 8.270 nan 0.000 0.429 472 N N -0.365 118.330 118.700 -0.009 0.000 2.188 472 N HA -0.142 4.597 4.740 -0.001 0.000 0.184 472 N C 1.636 177.145 175.510 -0.002 0.000 1.018 472 N CA 0.731 53.778 53.050 -0.005 0.000 0.858 472 N CB -0.090 38.395 38.487 -0.003 0.000 0.989 472 N HN 0.098 nan 8.380 nan 0.000 0.426 473 L N 1.390 122.612 121.223 -0.003 0.000 2.093 473 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 473 L C 2.189 179.057 176.870 -0.003 0.000 1.085 473 L CA 1.629 56.468 54.840 -0.002 0.000 0.755 473 L CB -0.425 41.631 42.059 -0.004 0.000 0.904 473 L HN 0.150 nan 8.230 nan 0.000 0.435 474 Q N -1.489 118.308 119.800 -0.005 0.000 2.437 474 Q HA -0.140 4.199 4.340 -0.001 0.000 0.210 474 Q C 1.517 177.516 176.000 -0.002 0.000 0.972 474 Q CA 1.662 57.462 55.803 -0.006 0.000 0.903 474 Q CB 0.051 28.783 28.738 -0.011 0.000 0.967 474 Q HN 0.581 nan 8.270 nan 0.000 0.486 475 T N 0.139 114.693 114.554 -0.000 0.000 2.901 475 T HA 0.001 4.350 4.350 -0.001 0.000 0.252 475 T C 1.326 176.034 174.700 0.013 0.000 1.035 475 T CA 0.796 62.900 62.100 0.007 0.000 1.142 475 T CB 0.083 68.954 68.868 0.007 0.000 0.869 475 T HN 0.280 nan 8.240 nan 0.000 0.442 476 K N 1.454 121.860 120.400 0.010 0.000 2.020 476 K HA -0.174 4.146 4.320 -0.001 0.000 0.212 476 K C 2.704 179.310 176.600 0.010 0.000 1.050 476 K CA 2.018 58.311 56.287 0.011 0.000 0.929 476 K CB -0.957 31.547 32.500 0.007 0.000 0.714 476 K HN 0.509 nan 8.250 nan 0.000 0.443 477 T N 0.282 114.840 114.554 0.007 0.000 2.759 477 T HA -0.161 4.188 4.350 -0.001 0.000 0.269 477 T C 1.808 176.515 174.700 0.011 0.000 1.042 477 T CA 1.524 63.627 62.100 0.006 0.000 1.140 477 T CB -0.305 68.565 68.868 0.002 0.000 0.864 477 T HN 0.064 nan 8.240 nan 0.000 0.455 478 N N 1.321 120.030 118.700 0.014 0.000 2.120 478 N HA -0.016 4.723 4.740 -0.001 0.000 0.188 478 N C 2.145 177.672 175.510 0.028 0.000 1.024 478 N CA 1.150 54.212 53.050 0.021 0.000 0.852 478 N CB -0.380 38.121 38.487 0.022 0.000 1.003 478 N HN 0.408 nan 8.380 nan 0.000 0.424 479 R N 1.020 121.537 120.500 0.027 0.000 2.070 479 R HA 0.073 4.412 4.340 -0.001 0.000 0.233 479 R C 2.248 178.561 176.300 0.021 0.000 1.137 479 R CA 1.341 57.458 56.100 0.029 0.000 0.945 479 R CB -0.968 29.348 30.300 0.027 0.000 0.845 479 R HN 0.211 nan 8.270 nan 0.000 0.430 480 A N 0.235 123.065 122.820 0.016 0.000 1.896 480 A HA -0.243 4.076 4.320 -0.001 0.000 0.220 480 A C 2.313 179.904 177.584 0.012 0.000 1.206 480 A CA 2.392 54.436 52.037 0.011 0.000 0.647 480 A CB -1.075 17.929 19.000 0.008 0.000 0.828 480 A HN 0.148 nan 8.150 nan 0.000 0.455 481 V N -0.407 119.516 119.914 0.015 0.000 2.270 481 V HA -0.203 3.917 4.120 -0.001 0.000 0.245 481 V C 3.033 179.141 176.094 0.023 0.000 1.043 481 V CA 1.991 64.302 62.300 0.018 0.000 1.014 481 V CB -1.602 30.234 31.823 0.021 0.000 0.645 481 V HN 0.682 nan 8.190 nan 0.000 0.447 482 A N 1.043 123.882 122.820 0.032 0.000 1.849 482 A HA -0.285 4.034 4.320 -0.001 0.000 0.217 482 A C 1.958 179.556 177.584 0.023 0.000 1.202 482 A CA 2.375 54.436 52.037 0.041 0.000 0.629 482 A CB -0.972 18.058 19.000 0.050 0.000 0.834 482 A HN 0.587 nan 8.150 nan 0.000 0.447 483 N N 0.376 119.086 118.700 0.016 0.000 2.588 483 N HA -0.113 4.627 4.740 -0.001 0.000 0.190 483 N C 1.733 177.241 175.510 -0.003 0.000 1.094 483 N CA 1.359 54.412 53.050 0.005 0.000 0.921 483 N CB -0.395 38.095 38.487 0.005 0.000 0.959 483 N HN 0.712 nan 8.380 nan 0.000 0.448 484 S N -0.708 114.992 115.700 -0.001 0.000 2.446 484 S HA 0.095 4.564 4.470 -0.001 0.000 0.225 484 S C 0.984 175.574 174.600 -0.017 0.000 1.016 484 S CA -0.059 58.137 58.200 -0.007 0.000 0.943 484 S CB 0.443 63.641 63.200 -0.002 0.000 0.786 484 S HN 0.057 nan 8.310 nan 0.000 0.508 485 R N 2.621 123.111 120.500 -0.017 0.000 2.346 485 R HA 0.489 4.828 4.340 -0.001 0.000 0.311 485 R C -2.581 173.686 176.300 -0.054 0.000 0.983 485 R CA -2.383 53.695 56.100 -0.036 0.000 0.880 485 R CB 0.940 31.223 30.300 -0.028 0.000 1.100 485 R HN 0.309 nan 8.270 nan 0.000 0.453 486 P HA -0.028 nan 4.420 nan 0.000 0.269 486 P C -0.892 176.340 177.300 -0.113 0.000 1.217 486 P CA -0.203 62.843 63.100 -0.090 0.000 0.783 486 P CB 0.544 32.182 31.700 -0.104 0.000 0.898 487 A N 2.459 125.217 122.820 -0.102 0.000 2.477 487 A HA 0.139 4.459 4.320 -0.001 0.000 0.246 487 A C 0.452 177.939 177.584 -0.162 0.000 1.078 487 A CA -0.012 51.961 52.037 -0.107 0.000 0.770 487 A CB -0.374 18.579 19.000 -0.078 0.000 1.011 487 A HN 0.447 nan 8.150 nan 0.000 0.494 488 K N 1.108 121.384 120.400 -0.207 0.000 2.118 488 K HA 0.546 4.865 4.320 -0.001 0.000 0.264 488 K C 0.442 176.938 176.600 -0.172 0.000 1.000 488 K CA -0.088 56.027 56.287 -0.287 0.000 0.929 488 K CB 1.431 33.592 32.500 -0.564 0.000 1.021 488 K HN 0.818 nan 8.250 nan 0.000 0.463 489 A N 1.294 124.010 122.820 -0.174 0.000 2.259 489 A HA 0.604 4.924 4.320 -0.001 0.000 0.278 489 A C -0.237 177.294 177.584 -0.088 0.000 1.107 489 A CA -0.412 51.551 52.037 -0.123 0.000 0.828 489 A CB 0.309 19.230 19.000 -0.131 0.000 1.111 489 A HN 0.778 nan 8.150 nan 0.000 0.498 490 A N -0.689 122.071 122.820 -0.099 0.000 2.425 490 A HA 0.403 4.722 4.320 -0.001 0.000 0.242 490 A C 1.137 178.651 177.584 -0.117 0.000 1.077 490 A CA 0.114 52.073 52.037 -0.130 0.000 0.781 490 A CB -0.011 18.801 19.000 -0.313 0.000 1.020 490 A HN 1.075 nan 8.150 nan 0.000 0.494 491 V N 2.196 122.100 119.914 -0.017 0.000 2.407 491 V HA -0.038 4.082 4.120 -0.001 0.000 0.245 491 V C 1.282 177.401 176.094 0.041 0.000 1.041 491 V CA 1.820 64.172 62.300 0.086 0.000 1.040 491 V CB -0.844 31.118 31.823 0.232 0.000 0.671 491 V HN 0.960 nan 8.190 nan 0.000 0.455 492 H N -0.864 118.236 119.070 0.051 0.000 2.505 492 H HA 0.222 4.777 4.556 -0.001 0.000 0.351 492 H C 1.272 176.614 175.328 0.023 0.000 1.151 492 H CA -0.656 55.412 56.048 0.032 0.000 1.339 492 H CB 1.700 31.478 29.762 0.027 0.000 1.483 492 H HN 0.058 nan 8.280 nan 0.000 0.558 493 L N 1.700 122.973 121.223 0.083 0.000 1.991 493 L HA -0.329 4.011 4.340 -0.001 0.000 0.221 493 L C 1.949 178.833 176.870 0.024 0.000 1.079 493 L CA 2.351 57.212 54.840 0.035 0.000 0.778 493 L CB -0.747 41.345 42.059 0.055 0.000 0.893 493 L HN 0.776 nan 8.230 nan 0.000 0.437 494 E N -0.050 120.225 120.200 0.126 0.000 2.049 494 E HA -0.148 4.201 4.350 -0.001 0.000 0.198 494 E C 2.163 178.795 176.600 0.053 0.000 1.007 494 E CA 1.397 57.873 56.400 0.127 0.000 0.809 494 E CB -1.249 28.575 29.700 0.207 0.000 0.749 494 E HN 0.633 nan 8.360 nan 0.000 0.450 495 G N 1.079 109.837 108.800 -0.070 0.000 2.442 495 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.219 495 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.219 495 G C 1.385 176.184 174.900 -0.169 0.000 1.141 495 G CA 1.015 45.981 45.100 -0.223 0.000 0.763 495 G HN 0.141 nan 8.290 nan 0.000 0.554 496 K N 0.067 120.360 120.400 -0.179 0.000 1.984 496 K HA 0.048 4.367 4.320 -0.001 0.000 0.209 496 K C 2.505 179.080 176.600 -0.043 0.000 1.046 496 K CA 1.105 57.329 56.287 -0.105 0.000 0.934 496 K CB -0.332 32.111 32.500 -0.094 0.000 0.717 496 K HN 0.344 nan 8.250 nan 0.000 0.438 497 I N 1.748 122.306 120.570 -0.020 0.000 2.248 497 I HA -0.325 3.844 4.170 -0.001 0.000 0.248 497 I C 2.734 178.864 176.117 0.023 0.000 1.107 497 I CA 1.642 62.948 61.300 0.010 0.000 1.373 497 I CB -0.897 37.114 38.000 0.018 0.000 1.055 497 I HN 0.382 nan 8.210 nan 0.000 0.418 498 E N 2.036 122.247 120.200 0.019 0.000 2.023 498 E HA -0.297 4.053 4.350 -0.001 0.000 0.196 498 E C 2.117 178.739 176.600 0.037 0.000 1.003 498 E CA 1.588 58.007 56.400 0.031 0.000 0.809 498 E CB -0.347 29.375 29.700 0.036 0.000 0.755 498 E HN 0.589 nan 8.360 nan 0.000 0.449 499 Q N 0.443 120.256 119.800 0.020 0.000 2.096 499 Q HA -0.165 4.174 4.340 -0.001 0.000 0.204 499 Q C 2.378 178.418 176.000 0.065 0.000 0.982 499 Q CA 1.530 57.350 55.803 0.028 0.000 0.850 499 Q CB -0.289 28.441 28.738 -0.013 0.000 0.901 499 Q HN 0.477 nan 8.270 nan 0.000 0.422 500 A N 0.903 123.755 122.820 0.053 0.000 1.865 500 A HA -0.296 4.023 4.320 -0.001 0.000 0.217 500 A C 2.091 179.782 177.584 0.179 0.000 1.191 500 A CA 1.733 53.833 52.037 0.104 0.000 0.623 500 A CB -0.611 18.428 19.000 0.065 0.000 0.826 500 A HN 0.217 nan 8.150 nan 0.000 0.444 501 Q N -0.258 119.608 119.800 0.111 0.000 1.985 501 Q HA -0.188 4.151 4.340 -0.001 0.000 0.207 501 Q C 2.215 178.276 176.000 0.101 0.000 0.996 501 Q CA 1.993 57.851 55.803 0.091 0.000 0.851 501 Q CB -0.479 28.291 28.738 0.053 0.000 0.921 501 Q HN 0.652 nan 8.270 nan 0.000 0.418 502 R N -1.182 119.376 120.500 0.097 0.000 2.196 502 R HA -0.264 4.075 4.340 -0.001 0.000 0.244 502 R C 2.085 178.462 176.300 0.128 0.000 1.121 502 R CA 2.102 58.258 56.100 0.094 0.000 0.930 502 R CB -1.137 29.220 30.300 0.095 0.000 0.890 502 R HN 0.472 nan 8.270 nan 0.000 0.435 503 W N 1.539 122.835 121.300 -0.006 0.000 2.335 503 W HA -0.208 4.451 4.660 -0.001 0.000 0.311 503 W C 1.831 178.347 176.519 -0.005 0.000 1.213 503 W CA 1.277 58.617 57.345 -0.007 0.000 1.274 503 W CB -0.237 29.216 29.460 -0.012 0.000 1.148 503 W HN 0.034 nan 8.180 nan 0.000 0.498 504 I N 1.175 121.780 120.570 0.058 0.000 2.185 504 I HA -0.349 3.820 4.170 -0.001 0.000 0.246 504 I C 1.906 177.873 176.117 -0.250 0.000 1.088 504 I CA 2.155 63.347 61.300 -0.180 0.000 1.347 504 I CB -1.567 36.447 38.000 0.023 0.000 1.041 504 I HN 0.085 nan 8.210 nan 0.000 0.415 505 D N 1.102 121.426 120.400 -0.127 0.000 2.077 505 D HA -0.084 4.555 4.640 -0.001 0.000 0.196 505 D C 0.943 177.154 176.300 -0.149 0.000 0.986 505 D CA 1.091 55.027 54.000 -0.107 0.000 0.829 505 D CB -0.294 40.482 40.800 -0.040 0.000 0.983 505 D HN 0.405 nan 8.370 nan 0.000 0.453 506 N N 1.168 119.784 118.700 -0.140 0.000 2.908 506 N HA 0.159 4.898 4.740 -0.001 0.000 0.316 506 N C -2.210 173.171 175.510 -0.216 0.000 1.619 506 N CA -1.093 51.879 53.050 -0.130 0.000 1.045 506 N CB 1.273 39.737 38.487 -0.039 0.000 1.357 506 N HN 0.028 nan 8.380 nan 0.000 0.501 507 P HA -0.128 nan 4.420 nan 0.000 0.227 507 P C 1.326 178.518 177.300 -0.180 0.000 1.145 507 P CA 1.396 64.080 63.100 -0.694 0.000 0.769 507 P CB 0.131 31.362 31.700 -0.782 0.000 0.769 508 T N -4.372 110.119 114.554 -0.106 0.000 2.976 508 T HA 0.040 4.389 4.350 -0.001 0.000 0.257 508 T C 0.909 175.624 174.700 0.025 0.000 1.051 508 T CA 0.058 62.144 62.100 -0.023 0.000 1.141 508 T CB -0.992 67.855 68.868 -0.035 0.000 0.881 508 T HN 0.033 nan 8.240 nan 0.000 0.461 509 V N 1.808 121.739 119.914 0.028 0.000 2.649 509 V HA 0.402 4.521 4.120 -0.001 0.000 0.292 509 V C -0.540 175.609 176.094 0.092 0.000 1.055 509 V CA -0.935 61.396 62.300 0.051 0.000 1.023 509 V CB 0.768 32.613 31.823 0.037 0.000 0.992 509 V HN 0.229 nan 8.190 nan 0.000 0.480 510 D N 4.085 124.527 120.400 0.068 0.000 2.363 510 D HA 0.144 4.784 4.640 -0.001 0.000 0.263 510 D C 0.632 176.968 176.300 0.060 0.000 1.258 510 D CA 0.403 54.442 54.000 0.065 0.000 0.907 510 D CB 0.914 41.736 40.800 0.037 0.000 1.107 510 D HN 0.835 nan 8.370 nan 0.000 0.495 511 D N 3.047 123.491 120.400 0.073 0.000 2.366 511 D HA 0.012 4.651 4.640 -0.001 0.000 0.205 511 D C 0.513 176.815 176.300 0.002 0.000 1.022 511 D CA -0.160 53.867 54.000 0.046 0.000 0.868 511 D CB 0.219 41.059 40.800 0.068 0.000 0.953 511 D HN 0.311 nan 8.370 nan 0.000 0.514 512 R N -0.657 119.841 120.500 -0.003 0.000 3.647 512 R HA -0.070 4.269 4.340 -0.001 0.000 0.364 512 R C 1.006 177.270 176.300 -0.060 0.000 1.114 512 R CA 0.576 56.660 56.100 -0.027 0.000 0.896 512 R CB -2.111 28.171 30.300 -0.031 0.000 1.558 512 R HN 0.514 nan 8.270 nan 0.000 0.497 513 G N -1.059 107.693 108.800 -0.081 0.000 2.225 513 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.254 513 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.254 513 G C 0.821 175.602 174.900 -0.198 0.000 0.988 513 G CA 0.513 45.522 45.100 -0.151 0.000 0.625 513 G HN 0.215 nan 8.290 nan 0.000 0.527 514 V N 1.257 121.086 119.914 -0.142 0.000 2.317 514 V HA -0.108 4.011 4.120 -0.001 0.000 0.251 514 V C 3.109 179.101 176.094 -0.171 0.000 1.065 514 V CA 3.301 65.520 62.300 -0.134 0.000 1.049 514 V CB -1.236 30.541 31.823 -0.077 0.000 0.651 514 V HN 0.799 nan 8.190 nan 0.000 0.450 515 G N -0.828 107.851 108.800 -0.202 0.000 2.433 515 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 515 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 515 G C 1.479 176.115 174.900 -0.442 0.000 1.186 515 G CA 0.819 45.787 45.100 -0.219 0.000 0.779 515 G HN 0.585 nan 8.290 nan 0.000 0.543 516 Q N 0.290 119.620 119.800 -0.783 0.000 2.224 516 Q HA 0.138 4.477 4.340 -0.001 0.000 0.203 516 Q C 2.895 178.668 176.000 -0.379 0.000 0.970 516 Q CA 0.870 56.231 55.803 -0.738 0.000 0.865 516 Q CB -0.188 28.057 28.738 -0.821 0.000 0.922 516 Q HN 0.473 nan 8.270 nan 0.000 0.445 517 A N 1.429 124.066 122.820 -0.305 0.000 1.898 517 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 517 A C 2.330 179.810 177.584 -0.173 0.000 1.181 517 A CA 1.502 53.411 52.037 -0.212 0.000 0.620 517 A CB -0.669 18.217 19.000 -0.190 0.000 0.819 517 A HN 0.381 nan 8.150 nan 0.000 0.442 518 A N 0.049 122.771 122.820 -0.164 0.000 1.930 518 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 518 A C 2.096 179.622 177.584 -0.098 0.000 1.175 518 A CA 1.408 53.374 52.037 -0.118 0.000 0.627 518 A CB -0.565 18.379 19.000 -0.094 0.000 0.815 518 A HN 0.500 nan 8.150 nan 0.000 0.443 519 I N -0.948 119.552 120.570 -0.117 0.000 2.179 519 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 519 I C 2.761 178.835 176.117 -0.071 0.000 1.088 519 I CA 1.338 62.592 61.300 -0.077 0.000 1.357 519 I CB -0.540 37.410 38.000 -0.084 0.000 1.051 519 I HN 0.323 nan 8.210 nan 0.000 0.409 520 R N 0.871 121.307 120.500 -0.107 0.000 2.096 520 R HA -0.162 4.177 4.340 -0.001 0.000 0.240 520 R C 2.453 178.710 176.300 -0.071 0.000 1.139 520 R CA 1.735 57.779 56.100 -0.092 0.000 0.952 520 R CB -0.880 29.348 30.300 -0.121 0.000 0.854 520 R HN 0.479 nan 8.270 nan 0.000 0.436 521 G N 1.355 110.107 108.800 -0.080 0.000 2.446 521 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 521 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 521 G C 1.284 176.164 174.900 -0.033 0.000 1.168 521 G CA 0.469 45.530 45.100 -0.065 0.000 0.771 521 G HN 0.037 nan 8.290 nan 0.000 0.551 522 L N 0.658 121.866 121.223 -0.026 0.000 1.976 522 L HA -0.053 4.286 4.340 -0.001 0.000 0.209 522 L C 3.279 180.165 176.870 0.027 0.000 1.071 522 L CA 0.967 55.806 54.840 -0.002 0.000 0.746 522 L CB -1.288 40.770 42.059 -0.003 0.000 0.890 522 L HN 0.135 nan 8.230 nan 0.000 0.432 523 V N 0.130 120.068 119.914 0.039 0.000 2.317 523 V HA -0.345 3.774 4.120 -0.001 0.000 0.251 523 V C 2.768 178.976 176.094 0.189 0.000 1.065 523 V CA 1.714 64.081 62.300 0.111 0.000 1.049 523 V CB -1.419 30.468 31.823 0.107 0.000 0.651 523 V HN 0.523 nan 8.190 nan 0.000 0.450 524 A N -0.396 122.463 122.820 0.065 0.000 1.933 524 A HA -0.259 4.060 4.320 -0.001 0.000 0.218 524 A C 2.195 179.818 177.584 0.065 0.000 1.175 524 A CA 2.082 54.133 52.037 0.022 0.000 0.628 524 A CB -0.491 18.483 19.000 -0.043 0.000 0.814 524 A HN 0.534 nan 8.150 nan 0.000 0.444 525 E N -0.363 119.865 120.200 0.047 0.000 2.107 525 E HA 0.009 4.358 4.350 -0.001 0.000 0.191 525 E C 2.042 178.673 176.600 0.052 0.000 0.982 525 E CA 1.079 57.502 56.400 0.039 0.000 0.809 525 E CB -0.590 29.122 29.700 0.021 0.000 0.756 525 E HN 0.475 nan 8.360 nan 0.000 0.459 526 G N -0.782 108.057 108.800 0.064 0.000 2.421 526 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.216 526 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.216 526 G C 1.159 176.070 174.900 0.018 0.000 1.171 526 G CA 1.225 46.343 45.100 0.030 0.000 0.775 526 G HN 0.334 nan 8.290 nan 0.000 0.543 527 H N -0.165 118.900 119.070 -0.009 0.000 2.353 527 H HA 0.084 4.639 4.556 -0.001 0.000 0.300 527 H C 2.817 178.138 175.328 -0.012 0.000 1.090 527 H CA 1.427 57.468 56.048 -0.011 0.000 1.327 527 H CB -0.022 29.729 29.762 -0.018 0.000 1.383 527 H HN 0.215 nan 8.280 nan 0.000 0.508 528 R N 0.002 120.572 120.500 0.116 0.000 2.083 528 R HA -0.133 4.206 4.340 -0.001 0.000 0.237 528 R C 2.207 178.527 176.300 0.034 0.000 1.137 528 R CA 1.434 57.568 56.100 0.056 0.000 0.951 528 R CB -0.356 29.966 30.300 0.037 0.000 0.851 528 R HN 0.258 nan 8.270 nan 0.000 0.434 529 L N -0.313 120.926 121.223 0.028 0.000 1.976 529 L HA -0.205 4.135 4.340 -0.001 0.000 0.209 529 L C 2.681 179.556 176.870 0.009 0.000 1.071 529 L CA 1.469 56.317 54.840 0.015 0.000 0.746 529 L CB -0.656 41.408 42.059 0.009 0.000 0.890 529 L HN 0.287 nan 8.230 nan 0.000 0.432 530 A N 0.188 123.008 122.820 -0.000 0.000 1.892 530 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 530 A C 1.791 179.377 177.584 0.004 0.000 1.188 530 A CA 2.012 54.045 52.037 -0.007 0.000 0.631 530 A CB -0.795 18.173 19.000 -0.053 0.000 0.822 530 A HN 0.506 nan 8.150 nan 0.000 0.447 531 N N -0.409 118.296 118.700 0.009 0.000 2.680 531 N HA 0.016 4.755 4.740 -0.001 0.000 0.197 531 N C 0.109 175.621 175.510 0.002 0.000 1.288 531 N CA 0.461 53.515 53.050 0.006 0.000 0.924 531 N CB -0.205 38.289 38.487 0.012 0.000 1.025 531 N HN 0.339 nan 8.380 nan 0.000 0.447 536 P HA -0.042 nan 4.420 nan 0.000 0.220 536 P C 1.163 178.368 177.300 -0.157 0.000 1.148 536 P CA 1.200 64.164 63.100 -0.227 0.000 0.803 536 P CB -0.047 31.451 31.700 -0.337 0.000 0.782 537 Y N 1.054 121.351 120.300 -0.006 0.000 2.049 537 Y HA -0.148 4.401 4.550 -0.001 0.000 0.277 537 Y C 3.036 178.924 175.900 -0.019 0.000 1.143 537 Y CA 1.210 59.305 58.100 -0.010 0.000 1.115 537 Y CB -1.601 36.856 38.460 -0.005 0.000 0.975 537 Y HN -0.120 nan 8.280 nan 0.000 0.487 538 R N 0.469 121.058 120.500 0.148 0.000 2.105 538 R HA -0.251 4.088 4.340 -0.001 0.000 0.239 538 R C 1.821 178.128 176.300 0.010 0.000 1.135 538 R CA 2.096 58.232 56.100 0.059 0.000 0.967 538 R CB -0.232 30.094 30.300 0.043 0.000 0.861 538 R HN 0.383 nan 8.270 nan 0.000 0.442 539 Q N 0.031 119.832 119.800 0.002 0.000 2.311 539 Q HA -0.074 4.265 4.340 -0.001 0.000 0.203 539 Q C 1.554 177.541 176.000 -0.021 0.000 0.954 539 Q CA 1.336 57.128 55.803 -0.020 0.000 0.885 539 Q CB 0.050 28.774 28.738 -0.024 0.000 0.963 539 Q HN 0.381 nan 8.270 nan 0.000 0.471 540 D N -0.123 120.274 120.400 -0.004 0.000 2.162 540 D HA -0.109 4.530 4.640 -0.001 0.000 0.203 540 D C 1.709 178.007 176.300 -0.002 0.000 0.967 540 D CA 0.524 54.525 54.000 0.002 0.000 0.840 540 D CB 0.211 41.027 40.800 0.028 0.000 0.972 540 D HN 0.249 nan 8.370 nan 0.000 0.482 541 L N 0.675 121.898 121.223 0.000 0.000 1.961 541 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 541 L C 2.771 179.590 176.870 -0.084 0.000 1.072 541 L CA 0.826 55.649 54.840 -0.029 0.000 0.749 541 L CB -0.501 41.540 42.059 -0.029 0.000 0.889 541 L HN 0.113 nan 8.230 nan 0.000 0.432 542 L N -0.332 120.818 121.223 -0.123 0.000 2.151 542 L HA -0.307 4.033 4.340 -0.001 0.000 0.215 542 L C 2.761 179.562 176.870 -0.116 0.000 1.084 542 L CA 1.315 56.036 54.840 -0.197 0.000 0.764 542 L CB -0.786 41.177 42.059 -0.159 0.000 0.891 542 L HN 0.397 nan 8.230 nan 0.000 0.435 543 A N 0.609 123.393 122.820 -0.061 0.000 1.858 543 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 543 A C 2.253 179.823 177.584 -0.024 0.000 1.190 543 A CA 1.794 53.813 52.037 -0.031 0.000 0.617 543 A CB -0.346 18.643 19.000 -0.018 0.000 0.827 543 A HN 0.404 nan 8.150 nan 0.000 0.443 544 K N -0.451 119.934 120.400 -0.024 0.000 2.211 544 K HA -0.103 4.216 4.320 -0.001 0.000 0.203 544 K C 2.100 178.693 176.600 -0.011 0.000 1.050 544 K CA 1.237 57.518 56.287 -0.011 0.000 0.945 544 K CB -0.817 31.680 32.500 -0.006 0.000 0.732 544 K HN 0.524 nan 8.250 nan 0.000 0.451 545 C N 2.363 121.637 119.300 -0.042 0.000 2.496 545 C HA -0.084 4.375 4.460 -0.001 0.000 0.281 545 C C 2.241 177.251 174.990 0.034 0.000 1.250 545 C CA 0.984 59.988 59.018 -0.023 0.000 1.717 545 C CB -0.754 26.887 27.740 -0.164 0.000 2.082 545 C HN 0.509 nan 8.230 nan 0.000 0.472 546 D N 0.142 120.556 120.400 0.024 0.000 2.239 546 D HA -0.159 4.481 4.640 -0.001 0.000 0.202 546 D C 2.173 178.495 176.300 0.037 0.000 0.993 546 D CA 1.160 55.191 54.000 0.050 0.000 0.874 546 D CB -0.458 40.362 40.800 0.033 0.000 0.922 546 D HN 0.351 nan 8.370 nan 0.000 0.464 547 R N 0.343 120.857 120.500 0.023 0.000 2.066 547 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 547 R C 2.074 178.394 176.300 0.033 0.000 1.131 547 R CA 0.764 56.878 56.100 0.023 0.000 0.955 547 R CB -0.622 29.686 30.300 0.015 0.000 0.851 547 R HN 0.038 nan 8.270 nan 0.000 0.432 548 V N 1.001 120.937 119.914 0.037 0.000 2.453 548 V HA -0.179 3.941 4.120 -0.001 0.000 0.247 548 V C 1.526 177.652 176.094 0.054 0.000 1.048 548 V CA 1.957 64.286 62.300 0.047 0.000 1.049 548 V CB -0.466 31.384 31.823 0.045 0.000 0.672 548 V HN 0.335 nan 8.190 nan 0.000 0.457 549 D N -0.221 120.210 120.400 0.052 0.000 2.104 549 D HA -0.202 4.437 4.640 -0.001 0.000 0.194 549 D C 2.334 178.661 176.300 0.045 0.000 0.994 549 D CA 1.419 55.447 54.000 0.046 0.000 0.830 549 D CB -0.122 40.709 40.800 0.052 0.000 0.959 549 D HN 0.498 nan 8.370 nan 0.000 0.452 550 Q N -0.404 119.422 119.800 0.044 0.000 2.079 550 Q HA -0.063 4.276 4.340 -0.001 0.000 0.200 550 Q C 2.291 178.321 176.000 0.049 0.000 0.974 550 Q CA 0.549 56.376 55.803 0.040 0.000 0.840 550 Q CB 0.096 28.854 28.738 0.033 0.000 0.898 550 Q HN 0.250 nan 8.270 nan 0.000 0.430 551 L N 0.175 121.431 121.223 0.055 0.000 2.027 551 L HA -0.147 4.192 4.340 -0.001 0.000 0.206 551 L C 2.304 179.234 176.870 0.100 0.000 1.074 551 L CA 1.903 56.781 54.840 0.063 0.000 0.745 551 L CB -1.487 40.607 42.059 0.059 0.000 0.898 551 L HN 0.391 nan 8.230 nan 0.000 0.433 552 T N -0.235 114.397 114.554 0.130 0.000 2.777 552 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 552 T C 2.071 176.889 174.700 0.198 0.000 1.040 552 T CA 1.093 63.328 62.100 0.225 0.000 1.141 552 T CB -0.364 68.599 68.868 0.158 0.000 0.868 552 T HN 0.358 nan 8.240 nan 0.000 0.444 553 A N 2.055 124.940 122.820 0.108 0.000 1.883 553 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 553 A C 2.421 180.059 177.584 0.089 0.000 1.186 553 A CA 1.793 53.880 52.037 0.082 0.000 0.624 553 A CB -0.806 18.223 19.000 0.048 0.000 0.822 553 A HN 0.602 nan 8.150 nan 0.000 0.444 554 Q N -0.798 119.047 119.800 0.075 0.000 1.967 554 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 554 Q C 2.264 178.299 176.000 0.058 0.000 0.985 554 Q CA 1.516 57.352 55.803 0.055 0.000 0.839 554 Q CB -0.449 28.312 28.738 0.038 0.000 0.906 554 Q HN 0.668 nan 8.270 nan 0.000 0.423 555 L N 0.472 121.734 121.223 0.065 0.000 2.081 555 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 555 L C 2.325 179.223 176.870 0.047 0.000 1.080 555 L CA 1.358 56.207 54.840 0.015 0.000 0.754 555 L CB -0.345 41.687 42.059 -0.045 0.000 0.893 555 L HN 0.253 nan 8.230 nan 0.000 0.433 556 A N -0.703 122.246 122.820 0.216 0.000 1.930 556 A HA -0.275 4.044 4.320 -0.001 0.000 0.217 556 A C 1.950 179.622 177.584 0.147 0.000 1.175 556 A CA 1.834 54.055 52.037 0.306 0.000 0.627 556 A CB -0.644 18.587 19.000 0.385 0.000 0.815 556 A HN 0.584 nan 8.150 nan 0.000 0.443 557 D N -0.451 120.008 120.400 0.097 0.000 2.144 557 D HA -0.089 4.550 4.640 -0.001 0.000 0.200 557 D C 1.739 178.060 176.300 0.035 0.000 0.978 557 D CA 0.974 55.009 54.000 0.058 0.000 0.833 557 D CB -0.218 40.608 40.800 0.044 0.000 0.961 557 D HN 0.290 nan 8.370 nan 0.000 0.470 558 L N 0.697 121.933 121.223 0.022 0.000 1.943 558 L HA -0.106 4.233 4.340 -0.001 0.000 0.215 558 L C 2.640 179.506 176.870 -0.006 0.000 1.074 558 L CA 2.021 56.861 54.840 -0.000 0.000 0.759 558 L CB -0.844 41.204 42.059 -0.018 0.000 0.888 558 L HN 0.087 nan 8.230 nan 0.000 0.433 559 A N -0.645 122.163 122.820 -0.021 0.000 1.971 559 A HA -0.330 3.989 4.320 -0.001 0.000 0.222 559 A C 2.424 180.012 177.584 0.008 0.000 1.182 559 A CA 2.325 54.345 52.037 -0.029 0.000 0.649 559 A CB -1.207 17.753 19.000 -0.066 0.000 0.818 559 A HN 0.540 nan 8.150 nan 0.000 0.458 560 A N -0.321 122.519 122.820 0.034 0.000 1.865 560 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 560 A C 2.203 179.800 177.584 0.021 0.000 1.191 560 A CA 1.806 53.866 52.037 0.039 0.000 0.623 560 A CB -0.568 18.461 19.000 0.047 0.000 0.826 560 A HN 0.607 nan 8.150 nan 0.000 0.444 561 R N -1.683 118.826 120.500 0.015 0.000 2.148 561 R HA -0.063 4.276 4.340 -0.001 0.000 0.230 561 R C 1.886 178.188 176.300 0.003 0.000 1.120 561 R CA 1.788 57.892 56.100 0.008 0.000 0.902 561 R CB -0.405 29.898 30.300 0.005 0.000 0.839 561 R HN 0.629 nan 8.270 nan 0.000 0.431 562 G N -1.347 107.451 108.800 -0.002 0.000 4.062 562 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.171 562 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.171 562 G C -0.787 174.104 174.900 -0.014 0.000 0.858 562 G CA -0.615 44.482 45.100 -0.006 0.000 0.924 562 G HN 0.170 nan 8.290 nan 0.000 0.359 563 E N 1.869 122.060 120.200 -0.016 0.000 2.175 563 E HA 0.271 4.620 4.350 -0.001 0.000 0.247 563 E C 0.846 177.422 176.600 -0.038 0.000 1.259 563 E CA 0.626 57.011 56.400 -0.024 0.000 0.969 563 E CB 0.449 30.136 29.700 -0.021 0.000 1.051 563 E HN 0.368 nan 8.360 nan 0.000 0.448 564 G N 2.333 111.106 108.800 -0.045 0.000 3.651 564 G HA2 0.126 4.085 3.960 -0.001 0.000 0.279 564 G HA3 0.126 4.085 3.960 -0.001 0.000 0.279 564 G C 0.529 175.387 174.900 -0.070 0.000 1.024 564 G CA -0.316 44.743 45.100 -0.068 0.000 0.813 564 G HN 0.349 nan 8.290 nan 0.000 0.518 565 E N -0.151 120.016 120.200 -0.055 0.000 3.042 565 E HA 0.101 4.450 4.350 -0.001 0.000 0.144 565 E C 0.194 176.771 176.600 -0.039 0.000 0.893 565 E CA -0.204 56.166 56.400 -0.049 0.000 1.422 565 E CB 0.604 30.280 29.700 -0.039 0.000 0.997 565 E HN 0.252 nan 8.360 nan 0.000 0.420 566 S N 0.958 116.634 115.700 -0.040 0.000 2.640 566 S HA 0.194 4.663 4.470 -0.001 0.000 0.262 566 S C -1.428 173.154 174.600 -0.030 0.000 1.232 566 S CA -0.940 57.241 58.200 -0.030 0.000 0.988 566 S CB 0.259 63.443 63.200 -0.027 0.000 1.034 566 S HN 0.058 nan 8.310 nan 0.000 0.569 567 P HA -0.059 nan 4.420 nan 0.000 0.214 567 P C 0.750 178.036 177.300 -0.022 0.000 1.162 567 P CA 1.129 64.217 63.100 -0.021 0.000 0.871 567 P CB -0.056 31.635 31.700 -0.015 0.000 0.783 568 Q N 0.612 120.400 119.800 -0.020 0.000 2.297 568 Q HA 0.112 4.452 4.340 -0.001 0.000 0.204 568 Q C 2.070 178.053 176.000 -0.028 0.000 0.962 568 Q CA 1.335 57.127 55.803 -0.019 0.000 0.879 568 Q CB -1.290 27.441 28.738 -0.013 0.000 0.947 568 Q HN 0.188 nan 8.270 nan 0.000 0.462 569 A N 0.158 122.956 122.820 -0.038 0.000 2.250 569 A HA 0.119 4.438 4.320 -0.001 0.000 0.208 569 A C 1.665 179.207 177.584 -0.070 0.000 1.254 569 A CA 0.632 52.634 52.037 -0.059 0.000 0.858 569 A CB -0.094 18.866 19.000 -0.066 0.000 0.820 569 A HN 0.117 nan 8.150 nan 0.000 0.484 570 R N -2.340 118.131 120.500 -0.050 0.000 2.716 570 R HA 0.345 4.685 4.340 -0.001 0.000 0.186 570 R C 1.895 178.176 176.300 -0.032 0.000 0.830 570 R CA 1.066 57.139 56.100 -0.046 0.000 1.059 570 R CB -0.714 29.563 30.300 -0.039 0.000 1.531 570 R HN 0.206 nan 8.270 nan 0.000 0.633 571 A N 0.885 123.690 122.820 -0.025 0.000 1.972 571 A HA -0.016 4.304 4.320 -0.001 0.000 0.219 571 A C 1.866 179.443 177.584 -0.013 0.000 1.169 571 A CA 1.217 53.244 52.037 -0.016 0.000 0.635 571 A CB -0.490 18.503 19.000 -0.012 0.000 0.810 571 A HN 0.260 nan 8.150 nan 0.000 0.446 572 L N -1.264 119.948 121.223 -0.017 0.000 2.102 572 L HA -0.048 4.291 4.340 -0.001 0.000 0.202 572 L C 3.095 179.957 176.870 -0.014 0.000 1.076 572 L CA 0.805 55.639 54.840 -0.010 0.000 0.761 572 L CB -0.524 41.529 42.059 -0.011 0.000 0.921 572 L HN 0.396 nan 8.230 nan 0.000 0.444 573 A N -0.762 122.035 122.820 -0.038 0.000 1.917 573 A HA -0.278 4.042 4.320 -0.001 0.000 0.219 573 A C 2.524 180.096 177.584 -0.021 0.000 1.182 573 A CA 2.399 54.408 52.037 -0.048 0.000 0.633 573 A CB -0.765 18.188 19.000 -0.079 0.000 0.819 573 A HN 0.372 nan 8.150 nan 0.000 0.448 574 S N -1.328 114.361 115.700 -0.018 0.000 2.338 574 S HA -0.210 4.259 4.470 -0.001 0.000 0.218 574 S C 2.224 176.825 174.600 0.001 0.000 1.032 574 S CA 1.514 59.709 58.200 -0.009 0.000 0.999 574 S CB -0.368 62.825 63.200 -0.011 0.000 0.905 574 S HN 0.673 nan 8.310 nan 0.000 0.439 575 Q N -0.329 119.472 119.800 0.002 0.000 2.197 575 Q HA -0.166 4.173 4.340 -0.001 0.000 0.207 575 Q C 2.005 178.016 176.000 0.017 0.000 0.984 575 Q CA 1.452 57.260 55.803 0.008 0.000 0.869 575 Q CB -0.125 28.619 28.738 0.009 0.000 0.906 575 Q HN 0.489 nan 8.270 nan 0.000 0.426 576 L N 0.593 121.829 121.223 0.022 0.000 2.071 576 L HA -0.138 4.202 4.340 -0.001 0.000 0.201 576 L C 2.298 179.191 176.870 0.038 0.000 1.076 576 L CA 1.965 56.829 54.840 0.039 0.000 0.755 576 L CB -0.661 41.434 42.059 0.060 0.000 0.915 576 L HN 0.291 nan 8.230 nan 0.000 0.445 577 Q N -1.481 118.337 119.800 0.031 0.000 2.522 577 Q HA -0.197 4.142 4.340 -0.001 0.000 0.216 577 Q C 0.542 176.554 176.000 0.021 0.000 0.986 577 Q CA 1.722 57.542 55.803 0.029 0.000 0.901 577 Q CB -0.362 28.385 28.738 0.015 0.000 0.954 577 Q HN 0.534 nan 8.270 nan 0.000 0.502 578 D N -0.140 120.271 120.400 0.018 0.000 2.423 578 D HA 0.084 4.723 4.640 -0.001 0.000 0.212 578 D C 1.413 177.722 176.300 0.016 0.000 1.060 578 D CA 0.289 54.297 54.000 0.013 0.000 0.872 578 D CB 0.296 41.101 40.800 0.008 0.000 1.012 578 D HN 0.151 nan 8.370 nan 0.000 0.503 579 S N 0.868 116.581 115.700 0.021 0.000 2.383 579 S HA -0.022 4.447 4.470 -0.001 0.000 0.227 579 S C 2.183 176.797 174.600 0.023 0.000 1.026 579 S CA 0.581 58.794 58.200 0.022 0.000 0.981 579 S CB 0.012 63.228 63.200 0.027 0.000 0.818 579 S HN 0.208 nan 8.310 nan 0.000 0.472 580 L N 0.848 122.088 121.223 0.028 0.000 2.027 580 L HA -0.089 4.251 4.340 -0.001 0.000 0.206 580 L C 2.429 179.311 176.870 0.019 0.000 1.074 580 L CA 1.180 56.036 54.840 0.026 0.000 0.745 580 L CB -0.525 41.553 42.059 0.032 0.000 0.898 580 L HN 0.143 nan 8.230 nan 0.000 0.433 581 K N 0.472 120.883 120.400 0.018 0.000 2.077 581 K HA -0.301 4.019 4.320 -0.001 0.000 0.213 581 K C 1.770 178.377 176.600 0.012 0.000 1.051 581 K CA 2.363 58.658 56.287 0.014 0.000 0.929 581 K CB -0.308 32.199 32.500 0.011 0.000 0.715 581 K HN 0.361 nan 8.250 nan 0.000 0.451 582 D N -0.597 119.810 120.400 0.012 0.000 2.144 582 D HA -0.160 4.479 4.640 -0.001 0.000 0.200 582 D C 1.778 178.084 176.300 0.010 0.000 0.978 582 D CA 0.733 54.739 54.000 0.010 0.000 0.833 582 D CB 0.023 40.830 40.800 0.011 0.000 0.961 582 D HN 0.080 nan 8.370 nan 0.000 0.470 583 L N 1.093 122.322 121.223 0.011 0.000 2.005 583 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 583 L C 2.283 179.158 176.870 0.008 0.000 1.072 583 L CA 1.880 56.725 54.840 0.009 0.000 0.744 583 L CB -0.974 41.092 42.059 0.011 0.000 0.895 583 L HN 0.022 nan 8.230 nan 0.000 0.433 584 K N -0.475 119.932 120.400 0.011 0.000 2.032 584 K HA -0.291 4.028 4.320 -0.001 0.000 0.218 584 K C 1.918 178.523 176.600 0.008 0.000 1.054 584 K CA 2.151 58.445 56.287 0.011 0.000 0.941 584 K CB -0.447 32.061 32.500 0.013 0.000 0.720 584 K HN 0.393 nan 8.250 nan 0.000 0.449 585 A N 1.561 124.385 122.820 0.007 0.000 1.883 585 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 585 A C 1.635 179.221 177.584 0.002 0.000 1.186 585 A CA 1.059 53.099 52.037 0.004 0.000 0.624 585 A CB -0.560 18.444 19.000 0.005 0.000 0.822 585 A HN 0.448 nan 8.150 nan 0.000 0.444 589 E N 1.561 121.753 120.200 -0.014 0.000 2.051 589 E HA -0.069 4.280 4.350 -0.001 0.000 0.192 589 E C 0.826 177.408 176.600 -0.029 0.000 0.991 589 E CA 0.959 57.346 56.400 -0.022 0.000 0.799 589 E CB 0.069 29.754 29.700 -0.024 0.000 0.748 589 E HN 0.312 nan 8.360 nan 0.000 0.449 593 Q N 1.583 121.372 119.800 -0.017 0.000 2.119 593 Q HA 0.003 4.342 4.340 -0.001 0.000 0.201 593 Q C 1.944 177.945 176.000 0.003 0.000 0.972 593 Q CA 1.303 57.095 55.803 -0.019 0.000 0.847 593 Q CB -0.124 28.585 28.738 -0.049 0.000 0.903 593 Q HN 0.620 nan 8.270 nan 0.000 0.433 594 E N 0.761 120.967 120.200 0.011 0.000 2.110 594 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 594 E C 2.074 178.719 176.600 0.074 0.000 0.988 594 E CA 0.831 57.251 56.400 0.033 0.000 0.804 594 E CB 0.256 29.975 29.700 0.031 0.000 0.745 594 E HN 0.094 nan 8.360 nan 0.000 0.458 595 V N 0.428 120.392 119.914 0.084 0.000 2.407 595 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 595 V C 2.365 178.546 176.094 0.144 0.000 1.055 595 V CA 1.724 64.111 62.300 0.145 0.000 1.049 595 V CB -0.347 31.511 31.823 0.058 0.000 0.662 595 V HN 0.247 nan 8.190 nan 0.000 0.455 596 S N -0.469 115.277 115.700 0.076 0.000 2.383 596 S HA -0.212 4.257 4.470 -0.001 0.000 0.229 596 S C 1.697 176.347 174.600 0.084 0.000 1.030 596 S CA 1.778 60.017 58.200 0.064 0.000 1.002 596 S CB -0.278 62.940 63.200 0.030 0.000 0.829 596 S HN 0.697 nan 8.310 nan 0.000 0.467 597 D N 0.230 120.676 120.400 0.077 0.000 2.197 597 D HA 0.012 4.652 4.640 -0.001 0.000 0.212 597 D C 2.088 178.438 176.300 0.083 0.000 0.963 597 D CA 0.885 54.927 54.000 0.069 0.000 0.864 597 D CB -0.198 40.629 40.800 0.046 0.000 1.009 597 D HN 0.274 nan 8.370 nan 0.000 0.479 598 V N 0.884 120.844 119.914 0.077 0.000 2.343 598 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 598 V C 1.998 178.062 176.094 -0.051 0.000 1.051 598 V CA 1.375 63.679 62.300 0.007 0.000 1.036 598 V CB -0.662 31.122 31.823 -0.065 0.000 0.654 598 V HN 0.039 nan 8.190 nan 0.000 0.451 599 F N 0.070 120.047 119.950 0.045 0.000 2.797 599 F HA 0.112 4.638 4.527 -0.001 0.000 0.302 599 F C 2.452 178.291 175.800 0.065 0.000 1.130 599 F CA 0.720 58.747 58.000 0.044 0.000 1.387 599 F CB -0.256 38.749 39.000 0.007 0.000 1.107 599 F HN 0.012 nan 8.300 nan 0.000 0.577 600 S N -0.078 115.736 115.700 0.189 0.000 2.392 600 S HA -0.247 4.222 4.470 -0.001 0.000 0.225 600 S C 0.659 175.338 174.600 0.132 0.000 1.041 600 S CA 1.742 60.023 58.200 0.135 0.000 1.100 600 S CB -0.337 62.919 63.200 0.093 0.000 1.029 600 S HN 0.341 nan 8.310 nan 0.000 0.424 601 D N -0.636 119.837 120.400 0.122 0.000 2.381 601 D HA 0.407 5.046 4.640 -0.001 0.000 0.235 601 D C 0.569 176.979 176.300 0.183 0.000 1.068 601 D CA 0.046 54.115 54.000 0.115 0.000 0.832 601 D CB 1.708 42.540 40.800 0.053 0.000 1.101 601 D HN 0.297 nan 8.370 nan 0.000 0.515 602 T N -1.031 113.654 114.554 0.219 0.000 2.985 602 T HA 0.022 4.371 4.350 -0.001 0.000 0.254 602 T C 1.402 176.317 174.700 0.358 0.000 1.021 602 T CA 0.670 62.966 62.100 0.328 0.000 0.957 602 T CB -0.034 68.996 68.868 0.270 0.000 1.047 602 T HN 0.354 nan 8.240 nan 0.000 0.511 603 T N -1.602 113.090 114.554 0.230 0.000 3.022 603 T HA 0.130 4.480 4.350 -0.001 0.000 0.250 603 T C 1.844 176.596 174.700 0.086 0.000 1.060 603 T CA 0.588 62.799 62.100 0.186 0.000 1.013 603 T CB -0.590 68.372 68.868 0.157 0.000 0.982 603 T HN 0.190 nan 8.240 nan 0.000 0.508 604 T N 3.648 118.233 114.554 0.052 0.000 2.570 604 T HA -0.070 4.279 4.350 -0.001 0.000 0.266 604 T C -0.476 174.208 174.700 -0.027 0.000 1.071 604 T CA 2.052 64.149 62.100 -0.004 0.000 1.172 604 T CB -1.293 67.552 68.868 -0.038 0.000 0.864 604 T HN 0.414 nan 8.240 nan 0.000 0.421 605 P HA -0.050 nan 4.420 nan 0.000 0.216 605 P C 1.695 178.970 177.300 -0.042 0.000 1.150 605 P CA 1.100 64.193 63.100 -0.010 0.000 0.843 605 P CB -0.250 31.487 31.700 0.062 0.000 0.787 606 I N -1.262 119.272 120.570 -0.061 0.000 2.676 606 I HA -0.163 4.006 4.170 -0.001 0.000 0.259 606 I C 2.162 178.159 176.117 -0.200 0.000 1.194 606 I CA 1.196 62.302 61.300 -0.323 0.000 1.473 606 I CB 0.019 37.764 38.000 -0.425 0.000 1.096 606 I HN -0.144 nan 8.210 nan 0.000 0.443 607 K N 0.302 120.649 120.400 -0.089 0.000 1.980 607 K HA -0.121 4.198 4.320 -0.001 0.000 0.208 607 K C 1.836 178.412 176.600 -0.041 0.000 1.043 607 K CA 1.272 57.537 56.287 -0.037 0.000 0.938 607 K CB -0.215 32.279 32.500 -0.011 0.000 0.724 607 K HN 0.108 nan 8.250 nan 0.000 0.438 608 L N 1.398 122.584 121.223 -0.062 0.000 2.129 608 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 608 L C 2.192 178.991 176.870 -0.120 0.000 1.087 608 L CA 1.251 56.047 54.840 -0.072 0.000 0.757 608 L CB -0.582 41.429 42.059 -0.080 0.000 0.896 608 L HN 0.270 nan 8.230 nan 0.000 0.434 609 L N -0.697 120.414 121.223 -0.188 0.000 2.072 609 L HA -0.141 4.198 4.340 -0.001 0.000 0.205 609 L C 2.574 179.366 176.870 -0.130 0.000 1.079 609 L CA 1.926 56.588 54.840 -0.296 0.000 0.752 609 L CB -0.820 40.932 42.059 -0.512 0.000 0.906 609 L HN 0.330 nan 8.230 nan 0.000 0.436 610 A N -0.631 122.220 122.820 0.051 0.000 1.877 610 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 610 A C 2.307 179.973 177.584 0.136 0.000 1.186 610 A CA 1.783 54.012 52.037 0.321 0.000 0.620 610 A CB -0.859 18.330 19.000 0.316 0.000 0.822 610 A HN 0.269 nan 8.150 nan 0.000 0.443 611 V N -0.023 119.931 119.914 0.067 0.000 2.219 611 V HA -0.318 3.801 4.120 -0.001 0.000 0.248 611 V C 3.099 179.209 176.094 0.026 0.000 1.053 611 V CA 2.281 64.608 62.300 0.043 0.000 1.009 611 V CB -1.409 30.424 31.823 0.018 0.000 0.636 611 V HN 0.657 nan 8.190 nan 0.000 0.445 612 A N -0.003 122.825 122.820 0.013 0.000 1.896 612 A HA -0.334 3.986 4.320 -0.001 0.000 0.220 612 A C 2.425 180.080 177.584 0.119 0.000 1.206 612 A CA 3.124 55.205 52.037 0.073 0.000 0.647 612 A CB -1.204 17.835 19.000 0.065 0.000 0.828 612 A HN 0.755 nan 8.150 nan 0.000 0.455 613 A N -0.886 121.977 122.820 0.073 0.000 1.948 613 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 613 A C 2.425 179.957 177.584 -0.086 0.000 1.177 613 A CA 2.885 54.891 52.037 -0.051 0.000 0.636 613 A CB -1.381 17.385 19.000 -0.391 0.000 0.815 613 A HN 0.957 nan 8.150 nan 0.000 0.449 614 T N -2.257 112.273 114.554 -0.041 0.000 2.978 614 T HA 0.401 4.751 4.350 -0.001 0.000 0.262 614 T C 1.108 175.786 174.700 -0.036 0.000 1.063 614 T CA 0.590 62.670 62.100 -0.033 0.000 1.140 614 T CB -0.927 67.937 68.868 -0.007 0.000 0.886 614 T HN 1.070 nan 8.240 nan 0.000 0.470 615 A N 3.967 126.777 122.820 -0.017 0.000 2.615 615 A HA 0.258 4.577 4.320 -0.001 0.000 0.240 615 A C -1.835 175.731 177.584 -0.030 0.000 1.003 615 A CA -0.743 51.285 52.037 -0.016 0.000 0.778 615 A CB -0.810 18.191 19.000 0.002 0.000 0.907 615 A HN 0.401 nan 8.150 nan 0.000 0.507 616 P HA -0.011 nan 4.420 nan 0.000 0.259 616 P C -1.937 175.344 177.300 -0.033 0.000 1.155 616 P CA -0.598 62.483 63.100 -0.030 0.000 0.759 616 P CB -0.167 31.519 31.700 -0.023 0.000 0.753 617 P HA -0.163 nan 4.420 nan 0.000 0.227 617 P C 0.821 178.102 177.300 -0.032 0.000 1.145 617 P CA 1.395 64.471 63.100 -0.039 0.000 0.769 617 P CB 0.116 31.794 31.700 -0.038 0.000 0.769 618 D N -1.512 118.872 120.400 -0.026 0.000 2.398 618 D HA 0.128 4.768 4.640 -0.001 0.000 0.210 618 D C 0.397 176.687 176.300 -0.017 0.000 1.094 618 D CA -0.167 53.821 54.000 -0.021 0.000 0.839 618 D CB 0.003 40.792 40.800 -0.018 0.000 0.963 618 D HN -0.073 nan 8.370 nan 0.000 0.506 619 A N 1.808 124.618 122.820 -0.017 0.000 2.565 619 A HA 0.284 4.603 4.320 -0.001 0.000 0.237 619 A C -2.194 175.385 177.584 -0.008 0.000 1.053 619 A CA -0.498 51.532 52.037 -0.011 0.000 0.755 619 A CB -0.172 18.823 19.000 -0.008 0.000 0.980 619 A HN 0.076 nan 8.150 nan 0.000 0.506 620 P HA 0.209 nan 4.420 nan 0.000 0.272 620 P C 0.037 177.338 177.300 0.002 0.000 1.223 620 P CA -0.069 63.029 63.100 -0.003 0.000 0.784 620 P CB 0.194 31.893 31.700 -0.003 0.000 0.923 621 N N -1.597 117.105 118.700 0.003 0.000 2.681 621 N HA -0.228 4.512 4.740 -0.001 0.000 0.250 621 N C 0.107 175.626 175.510 0.016 0.000 1.133 621 N CA 0.750 53.805 53.050 0.009 0.000 0.732 621 N CB -1.110 37.383 38.487 0.010 0.000 1.107 621 N HN 0.413 nan 8.380 nan 0.000 0.559 622 R N 0.802 121.306 120.500 0.007 0.000 2.679 622 R HA 0.017 4.356 4.340 -0.001 0.000 0.268 622 R C 0.831 177.133 176.300 0.004 0.000 1.044 622 R CA 0.418 56.521 56.100 0.005 0.000 1.105 622 R CB 0.467 30.757 30.300 -0.016 0.000 0.989 622 R HN 0.250 nan 8.270 nan 0.000 0.447 623 E N 0.531 120.735 120.200 0.007 0.000 4.071 623 E HA -0.235 4.114 4.350 -0.001 0.000 0.355 623 E C -0.090 176.539 176.600 0.048 0.000 0.653 623 E CA 2.324 58.721 56.400 -0.006 0.000 1.298 623 E CB -0.827 28.850 29.700 -0.038 0.000 1.712 623 E HN 0.841 nan 8.360 nan 0.000 0.416 624 E N -1.463 118.774 120.200 0.061 0.000 2.406 624 E HA 0.250 4.599 4.350 -0.001 0.000 0.204 624 E C 1.672 178.316 176.600 0.074 0.000 0.820 624 E CA 0.514 56.951 56.400 0.061 0.000 1.136 624 E CB -0.096 29.624 29.700 0.033 0.000 1.129 624 E HN 0.061 nan 8.360 nan 0.000 0.530 625 V N 1.332 121.288 119.914 0.071 0.000 2.307 625 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 625 V C 1.986 178.126 176.094 0.076 0.000 1.045 625 V CA 1.859 64.192 62.300 0.056 0.000 1.024 625 V CB -0.291 31.556 31.823 0.040 0.000 0.651 625 V HN 0.280 nan 8.190 nan 0.000 0.449 626 F N 1.582 121.510 119.950 -0.037 0.000 2.043 626 F HA -0.246 4.281 4.527 -0.001 0.000 0.297 626 F C 2.258 178.036 175.800 -0.038 0.000 1.121 626 F CA 2.468 60.438 58.000 -0.050 0.000 1.199 626 F CB -0.772 38.190 39.000 -0.064 0.000 0.968 626 F HN 0.274 nan 8.300 nan 0.000 0.478 627 D N 0.442 121.031 120.400 0.317 0.000 2.149 627 D HA -0.289 4.350 4.640 -0.001 0.000 0.194 627 D C 2.142 178.427 176.300 -0.026 0.000 1.001 627 D CA 1.813 55.908 54.000 0.159 0.000 0.849 627 D CB -0.702 40.206 40.800 0.181 0.000 0.939 627 D HN 0.684 nan 8.370 nan 0.000 0.449 628 E N 0.496 120.686 120.200 -0.017 0.000 2.265 628 E HA -0.202 4.147 4.350 -0.001 0.000 0.196 628 E C 1.658 178.209 176.600 -0.083 0.000 0.996 628 E CA 0.750 57.130 56.400 -0.033 0.000 0.832 628 E CB 0.263 29.954 29.700 -0.014 0.000 0.756 628 E HN 0.055 nan 8.360 nan 0.000 0.491 629 R N 0.200 120.595 120.500 -0.175 0.000 2.090 629 R HA 0.160 4.499 4.340 -0.001 0.000 0.219 629 R C 2.346 178.501 176.300 -0.241 0.000 1.100 629 R CA 1.076 57.043 56.100 -0.221 0.000 0.991 629 R CB -1.107 29.010 30.300 -0.305 0.000 0.893 629 R HN 0.238 nan 8.270 nan 0.000 0.443 630 A N 1.813 124.390 122.820 -0.405 0.000 1.908 630 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 630 A C 2.329 179.905 177.584 -0.013 0.000 1.181 630 A CA 2.007 53.889 52.037 -0.258 0.000 0.627 630 A CB -0.666 18.165 19.000 -0.282 0.000 0.818 630 A HN 0.326 nan 8.150 nan 0.000 0.445 631 A N 1.504 124.304 122.820 -0.034 0.000 1.829 631 A HA -0.269 4.050 4.320 -0.001 0.000 0.216 631 A C 1.989 179.588 177.584 0.025 0.000 1.207 631 A CA 2.135 54.176 52.037 0.007 0.000 0.622 631 A CB -0.981 18.018 19.000 -0.002 0.000 0.846 631 A HN 0.758 nan 8.150 nan 0.000 0.447 632 N N -0.377 118.328 118.700 0.008 0.000 2.389 632 N HA -0.245 4.495 4.740 -0.001 0.000 0.194 632 N C 1.309 176.865 175.510 0.077 0.000 1.008 632 N CA 2.332 55.393 53.050 0.017 0.000 0.898 632 N CB -0.647 37.830 38.487 -0.017 0.000 0.957 632 N HN 0.550 nan 8.380 nan 0.000 0.447 633 F N 1.046 120.948 119.950 -0.080 0.000 2.138 633 F HA 0.178 4.704 4.527 -0.001 0.000 0.283 633 F C 2.248 178.044 175.800 -0.006 0.000 1.100 633 F CA 1.034 58.990 58.000 -0.074 0.000 1.189 633 F CB -0.540 38.356 39.000 -0.173 0.000 1.060 633 F HN -0.030 nan 8.300 nan 0.000 0.492 634 E N 0.518 120.599 120.200 -0.198 0.000 2.147 634 E HA -0.276 4.073 4.350 -0.001 0.000 0.199 634 E C 1.807 178.308 176.600 -0.165 0.000 1.005 634 E CA 1.574 57.811 56.400 -0.270 0.000 0.810 634 E CB -0.358 29.313 29.700 -0.049 0.000 0.736 634 E HN 0.425 nan 8.360 nan 0.000 0.460 635 N N -0.007 118.654 118.700 -0.066 0.000 2.106 635 N HA -0.170 4.570 4.740 -0.001 0.000 0.188 635 N C 1.693 177.195 175.510 -0.014 0.000 1.029 635 N CA 1.058 54.093 53.050 -0.026 0.000 0.848 635 N CB -0.456 38.036 38.487 0.009 0.000 1.007 635 N HN 0.361 nan 8.380 nan 0.000 0.423 636 H N 0.082 119.083 119.070 -0.115 0.000 2.326 636 H HA 0.006 4.561 4.556 -0.001 0.000 0.301 636 H C 1.964 177.220 175.328 -0.120 0.000 1.081 636 H CA 1.280 57.267 56.048 -0.101 0.000 1.334 636 H CB 0.172 29.898 29.762 -0.060 0.000 1.385 636 H HN 0.095 nan 8.280 nan 0.000 0.504 637 S N -0.534 115.035 115.700 -0.219 0.000 2.374 637 S HA -0.149 4.320 4.470 -0.001 0.000 0.227 637 S C 2.298 176.790 174.600 -0.181 0.000 1.037 637 S CA 1.292 59.388 58.200 -0.173 0.000 1.024 637 S CB -0.707 62.375 63.200 -0.197 0.000 0.861 637 S HN 0.685 nan 8.310 nan 0.000 0.456 638 G N 1.239 109.948 108.800 -0.151 0.000 2.459 638 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 638 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 638 G C 1.412 176.237 174.900 -0.126 0.000 1.183 638 G CA 1.054 46.089 45.100 -0.107 0.000 0.776 638 G HN 0.597 nan 8.290 nan 0.000 0.552 639 K N 0.237 120.547 120.400 -0.151 0.000 2.152 639 K HA 0.049 4.368 4.320 -0.001 0.000 0.206 639 K C 2.437 178.894 176.600 -0.238 0.000 1.048 639 K CA 0.719 56.914 56.287 -0.154 0.000 0.933 639 K CB -0.313 32.119 32.500 -0.114 0.000 0.721 639 K HN 0.275 nan 8.250 nan 0.000 0.447 640 L N 0.391 121.376 121.223 -0.397 0.000 1.976 640 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 640 L C 2.661 179.418 176.870 -0.189 0.000 1.071 640 L CA 1.633 56.154 54.840 -0.531 0.000 0.746 640 L CB -1.181 40.484 42.059 -0.657 0.000 0.890 640 L HN 0.403 nan 8.230 nan 0.000 0.432 641 G N -0.374 108.347 108.800 -0.131 0.000 2.476 641 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.218 641 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.218 641 G C 1.751 176.646 174.900 -0.009 0.000 1.164 641 G CA 1.064 46.139 45.100 -0.042 0.000 0.768 641 G HN 0.497 nan 8.290 nan 0.000 0.560 642 A N 0.131 122.933 122.820 -0.031 0.000 1.873 642 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 642 A C 2.549 180.145 177.584 0.020 0.000 1.193 642 A CA 2.715 54.746 52.037 -0.009 0.000 0.629 642 A CB -1.161 17.825 19.000 -0.023 0.000 0.826 642 A HN 0.325 nan 8.150 nan 0.000 0.447 643 T N 0.205 114.777 114.554 0.031 0.000 2.708 643 T HA -0.019 4.330 4.350 -0.001 0.000 0.266 643 T C 2.199 176.980 174.700 0.136 0.000 1.037 643 T CA 1.665 63.819 62.100 0.090 0.000 1.146 643 T CB -0.491 68.446 68.868 0.115 0.000 0.865 643 T HN 0.625 nan 8.240 nan 0.000 0.435 644 A N 1.495 124.430 122.820 0.192 0.000 1.972 644 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 644 A C 2.181 179.798 177.584 0.055 0.000 1.169 644 A CA 1.454 53.570 52.037 0.131 0.000 0.635 644 A CB -0.464 18.627 19.000 0.151 0.000 0.810 644 A HN 0.570 nan 8.150 nan 0.000 0.446 645 E N -0.275 119.955 120.200 0.051 0.000 2.150 645 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 645 E C 1.953 178.573 176.600 0.033 0.000 0.985 645 E CA 1.138 57.559 56.400 0.036 0.000 0.814 645 E CB -0.115 29.603 29.700 0.031 0.000 0.752 645 E HN 0.606 nan 8.360 nan 0.000 0.466 646 K N 0.633 121.054 120.400 0.035 0.000 2.057 646 K HA -0.058 4.261 4.320 -0.001 0.000 0.206 646 K C 2.177 178.791 176.600 0.024 0.000 1.050 646 K CA 0.958 57.262 56.287 0.029 0.000 0.935 646 K CB -0.069 32.449 32.500 0.030 0.000 0.715 646 K HN 0.017 nan 8.250 nan 0.000 0.439 647 A N 1.512 124.345 122.820 0.022 0.000 1.933 647 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 647 A C 2.352 179.939 177.584 0.005 0.000 1.175 647 A CA 1.894 53.932 52.037 0.002 0.000 0.628 647 A CB -0.710 18.275 19.000 -0.025 0.000 0.814 647 A HN 0.337 nan 8.150 nan 0.000 0.444 648 A N -0.126 122.702 122.820 0.013 0.000 1.902 648 A HA 0.136 4.455 4.320 -0.001 0.000 0.217 648 A C 2.514 180.123 177.584 0.042 0.000 1.181 648 A CA 2.211 54.263 52.037 0.024 0.000 0.623 648 A CB -1.033 17.986 19.000 0.032 0.000 0.818 648 A HN 1.029 nan 8.150 nan 0.000 0.443 649 A N -1.050 121.792 122.820 0.038 0.000 1.845 649 A HA 0.027 4.347 4.320 -0.001 0.000 0.215 649 A C 2.153 179.758 177.584 0.035 0.000 1.195 649 A CA 2.017 54.076 52.037 0.037 0.000 0.616 649 A CB -0.856 18.160 19.000 0.027 0.000 0.832 649 A HN 1.125 nan 8.150 nan 0.000 0.443 650 V N -0.791 119.139 119.914 0.026 0.000 3.427 650 V HA 0.444 4.564 4.120 -0.001 0.000 0.305 650 V C 0.999 177.105 176.094 0.019 0.000 1.412 650 V CA 0.666 62.979 62.300 0.022 0.000 1.086 650 V CB -0.409 31.424 31.823 0.015 0.000 0.964 650 V HN 0.570 nan 8.190 nan 0.000 0.439 651 G N 0.809 109.620 108.800 0.019 0.000 2.510 651 G HA2 0.453 4.412 3.960 -0.001 0.000 0.280 651 G HA3 0.453 4.412 3.960 -0.001 0.000 0.280 651 G C -0.080 174.829 174.900 0.015 0.000 1.386 651 G CA 0.323 45.427 45.100 0.007 0.000 1.047 651 G HN 0.633 nan 8.290 nan 0.000 0.527 652 T N -2.942 111.611 114.554 -0.001 0.000 2.893 652 T HA 0.733 5.082 4.350 -0.001 0.000 0.324 652 T C -0.321 174.367 174.700 -0.021 0.000 1.082 652 T CA 0.179 62.277 62.100 -0.004 0.000 0.983 652 T CB 0.926 69.788 68.868 -0.010 0.000 1.005 652 T HN 1.822 nan 8.240 nan 0.000 0.475 653 A N 2.982 125.787 122.820 -0.024 0.000 2.489 653 A HA 0.662 4.981 4.320 -0.001 0.000 0.293 653 A C -0.998 176.536 177.584 -0.083 0.000 1.004 653 A CA -1.033 50.974 52.037 -0.050 0.000 0.626 653 A CB 0.553 19.529 19.000 -0.041 0.000 1.345 653 A HN 0.661 nan 8.150 nan 0.000 0.447 654 N N -0.391 118.236 118.700 -0.122 0.000 2.531 654 N HA 0.354 5.093 4.740 -0.001 0.000 0.301 654 N C 1.065 176.500 175.510 -0.125 0.000 1.310 654 N CA -0.101 52.818 53.050 -0.218 0.000 0.949 654 N CB 0.346 38.705 38.487 -0.213 0.000 1.111 654 N HN 0.604 nan 8.380 nan 0.000 0.565 655 K N -0.390 119.941 120.400 -0.115 0.000 2.281 655 K HA -0.146 4.173 4.320 -0.001 0.000 0.203 655 K C 1.662 178.249 176.600 -0.020 0.000 1.046 655 K CA 1.076 57.357 56.287 -0.010 0.000 0.938 655 K CB -0.177 32.331 32.500 0.014 0.000 0.737 655 K HN 0.575 nan 8.250 nan 0.000 0.458 656 S N 0.475 116.148 115.700 -0.044 0.000 2.456 656 S HA -0.250 4.219 4.470 -0.001 0.000 0.232 656 S C 2.020 176.603 174.600 -0.029 0.000 1.046 656 S CA 2.260 60.437 58.200 -0.038 0.000 1.175 656 S CB -1.261 61.910 63.200 -0.049 0.000 1.129 656 S HN 0.312 nan 8.310 nan 0.000 0.420 657 T N 1.626 116.161 114.554 -0.033 0.000 2.812 657 T HA 0.062 4.411 4.350 -0.001 0.000 0.264 657 T C 1.971 176.662 174.700 -0.015 0.000 1.042 657 T CA 1.004 63.087 62.100 -0.029 0.000 1.140 657 T CB -0.967 67.880 68.868 -0.036 0.000 0.870 657 T HN 0.224 nan 8.240 nan 0.000 0.445 658 V N 1.840 121.754 119.914 0.000 0.000 2.278 658 V HA -0.281 3.839 4.120 -0.001 0.000 0.251 658 V C 2.695 178.802 176.094 0.022 0.000 1.062 658 V CA 2.096 64.412 62.300 0.026 0.000 1.038 658 V CB -0.687 31.176 31.823 0.066 0.000 0.646 658 V HN 0.475 nan 8.190 nan 0.000 0.447 659 E N -0.116 120.091 120.200 0.012 0.000 2.072 659 E HA -0.090 4.259 4.350 -0.001 0.000 0.191 659 E C 2.301 178.895 176.600 -0.008 0.000 0.985 659 E CA 1.208 57.608 56.400 -0.000 0.000 0.801 659 E CB -0.685 29.006 29.700 -0.015 0.000 0.750 659 E HN 0.610 nan 8.360 nan 0.000 0.452 660 G N 0.696 109.487 108.800 -0.015 0.000 2.440 660 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 660 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 660 G C 1.585 176.472 174.900 -0.023 0.000 1.154 660 G CA 0.807 45.895 45.100 -0.021 0.000 0.767 660 G HN 0.157 nan 8.290 nan 0.000 0.552 661 I N -0.118 120.440 120.570 -0.019 0.000 2.163 661 I HA -0.184 3.985 4.170 -0.001 0.000 0.240 661 I C 2.955 179.069 176.117 -0.006 0.000 1.081 661 I CA 1.206 62.494 61.300 -0.020 0.000 1.353 661 I CB -0.296 37.693 38.000 -0.019 0.000 1.054 661 I HN 0.187 nan 8.210 nan 0.000 0.407 662 Q N 0.377 120.182 119.800 0.008 0.000 2.291 662 Q HA -0.183 4.157 4.340 -0.001 0.000 0.206 662 Q C 2.225 178.230 176.000 0.008 0.000 0.976 662 Q CA 1.465 57.279 55.803 0.020 0.000 0.875 662 Q CB -0.109 28.652 28.738 0.038 0.000 0.927 662 Q HN 0.586 nan 8.270 nan 0.000 0.450 663 A N 0.549 123.367 122.820 -0.004 0.000 1.825 663 A HA -0.208 4.112 4.320 -0.001 0.000 0.214 663 A C 2.221 179.795 177.584 -0.017 0.000 1.206 663 A CA 1.715 53.746 52.037 -0.010 0.000 0.609 663 A CB -0.999 17.991 19.000 -0.017 0.000 0.851 663 A HN 0.478 nan 8.150 nan 0.000 0.445 664 S N 0.010 115.692 115.700 -0.030 0.000 2.374 664 S HA -0.198 4.271 4.470 -0.001 0.000 0.227 664 S C 1.760 176.329 174.600 -0.052 0.000 1.037 664 S CA 1.657 59.826 58.200 -0.051 0.000 1.024 664 S CB -1.307 61.854 63.200 -0.066 0.000 0.861 664 S HN 0.276 nan 8.310 nan 0.000 0.456 665 V N 2.844 122.740 119.914 -0.029 0.000 2.231 665 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 665 V C 2.771 178.857 176.094 -0.014 0.000 1.054 665 V CA 2.409 64.696 62.300 -0.021 0.000 1.015 665 V CB -0.873 30.951 31.823 0.001 0.000 0.638 665 V HN 0.589 nan 8.190 nan 0.000 0.444 666 K N -0.484 119.918 120.400 0.004 0.000 2.001 666 K HA -0.240 4.080 4.320 -0.001 0.000 0.214 666 K C 2.186 178.803 176.600 0.028 0.000 1.050 666 K CA 2.316 58.615 56.287 0.021 0.000 0.934 666 K CB -0.565 31.951 32.500 0.026 0.000 0.718 666 K HN 0.545 nan 8.250 nan 0.000 0.443 667 T N 0.994 115.557 114.554 0.015 0.000 2.493 667 T HA -0.322 4.027 4.350 -0.001 0.000 0.256 667 T C 1.835 176.551 174.700 0.026 0.000 1.195 667 T CA 2.311 64.425 62.100 0.023 0.000 1.183 667 T CB -0.842 68.017 68.868 -0.014 0.000 0.863 667 T HN 0.529 nan 8.240 nan 0.000 0.418 668 A N 1.443 124.233 122.820 -0.049 0.000 1.944 668 A HA -0.342 3.977 4.320 -0.001 0.000 0.222 668 A C 2.288 179.902 177.584 0.050 0.000 1.237 668 A CA 2.815 54.803 52.037 -0.082 0.000 0.668 668 A CB -0.811 18.086 19.000 -0.172 0.000 0.830 668 A HN 0.468 nan 8.150 nan 0.000 0.471 669 R N -0.563 119.959 120.500 0.037 0.000 2.120 669 R HA -0.066 4.273 4.340 -0.001 0.000 0.234 669 R C 2.145 178.502 176.300 0.095 0.000 1.123 669 R CA 1.678 57.811 56.100 0.055 0.000 0.975 669 R CB -0.256 30.069 30.300 0.043 0.000 0.866 669 R HN 0.807 nan 8.270 nan 0.000 0.446 670 E N 0.027 120.306 120.200 0.133 0.000 2.014 670 E HA -0.061 4.289 4.350 -0.001 0.000 0.190 670 E C 1.501 178.197 176.600 0.161 0.000 0.980 670 E CA 1.003 57.531 56.400 0.213 0.000 0.807 670 E CB -0.040 29.833 29.700 0.289 0.000 0.770 670 E HN 0.259 nan 8.360 nan 0.000 0.451 671 L N 0.485 121.825 121.223 0.196 0.000 2.633 671 L HA 0.053 4.392 4.340 -0.001 0.000 0.235 671 L C 1.887 178.944 176.870 0.310 0.000 1.163 671 L CA 0.445 55.423 54.840 0.230 0.000 0.859 671 L CB -0.626 41.595 42.059 0.270 0.000 0.973 671 L HN 0.042 nan 8.230 nan 0.000 0.451 672 T N 1.081 115.793 114.554 0.263 0.000 2.809 672 T HA 0.018 4.367 4.350 -0.001 0.000 0.260 672 T C -0.390 174.440 174.700 0.216 0.000 1.039 672 T CA 1.302 63.563 62.100 0.268 0.000 1.141 672 T CB -0.581 68.355 68.868 0.114 0.000 0.869 672 T HN 0.315 nan 8.240 nan 0.000 0.437 673 P HA 0.047 nan 4.420 nan 0.000 0.221 673 P C 1.669 178.972 177.300 0.005 0.000 1.155 673 P CA 0.715 63.839 63.100 0.040 0.000 0.812 673 P CB -0.047 31.627 31.700 -0.043 0.000 0.801 674 Q N -0.144 119.626 119.800 -0.051 0.000 1.985 674 Q HA -0.126 4.214 4.340 -0.001 0.000 0.207 674 Q C 2.194 178.220 176.000 0.044 0.000 0.996 674 Q CA 1.525 57.294 55.803 -0.056 0.000 0.851 674 Q CB -1.431 27.285 28.738 -0.038 0.000 0.921 674 Q HN 0.108 nan 8.270 nan 0.000 0.418 675 V N 0.776 120.744 119.914 0.092 0.000 2.252 675 V HA -0.230 3.889 4.120 -0.001 0.000 0.249 675 V C 2.444 178.594 176.094 0.093 0.000 1.056 675 V CA 1.583 63.935 62.300 0.087 0.000 1.022 675 V CB -0.621 31.233 31.823 0.050 0.000 0.641 675 V HN 0.175 nan 8.190 nan 0.000 0.445 676 V N 0.493 120.474 119.914 0.113 0.000 2.944 676 V HA -0.220 3.899 4.120 -0.001 0.000 0.265 676 V C 2.491 178.657 176.094 0.120 0.000 1.125 676 V CA 2.199 64.556 62.300 0.096 0.000 1.145 676 V CB -0.320 31.620 31.823 0.195 0.000 0.725 676 V HN 0.796 nan 8.190 nan 0.000 0.510 677 S N -0.444 115.316 115.700 0.101 0.000 2.510 677 S HA 0.129 4.599 4.470 -0.001 0.000 0.230 677 S C 2.041 176.704 174.600 0.105 0.000 1.066 677 S CA 0.694 58.950 58.200 0.093 0.000 0.941 677 S CB -0.038 63.196 63.200 0.057 0.000 0.829 677 S HN 0.480 nan 8.310 nan 0.000 0.530 678 A N 1.376 124.279 122.820 0.140 0.000 2.125 678 A HA 0.408 4.728 4.320 -0.001 0.000 0.219 678 A C 2.260 179.917 177.584 0.122 0.000 1.156 678 A CA 1.506 53.668 52.037 0.208 0.000 0.671 678 A CB -1.065 18.038 19.000 0.171 0.000 0.794 678 A HN 0.912 nan 8.150 nan 0.000 0.459 679 A N -1.011 121.830 122.820 0.035 0.000 2.021 679 A HA 0.057 4.376 4.320 -0.001 0.000 0.216 679 A C 2.197 179.727 177.584 -0.089 0.000 1.163 679 A CA 0.768 52.633 52.037 -0.286 0.000 0.676 679 A CB -0.235 18.654 19.000 -0.185 0.000 0.818 679 A HN 0.399 nan 8.150 nan 0.000 0.453 680 R N -0.656 119.854 120.500 0.017 0.000 2.200 680 R HA 0.187 4.527 4.340 -0.001 0.000 0.208 680 R C 1.758 177.959 176.300 -0.165 0.000 1.033 680 R CA 0.347 56.337 56.100 -0.183 0.000 1.000 680 R CB -0.243 30.017 30.300 -0.067 0.000 0.906 680 R HN 0.546 nan 8.270 nan 0.000 0.462 681 I N 1.304 121.842 120.570 -0.053 0.000 2.076 681 I HA -0.339 3.830 4.170 -0.001 0.000 0.237 681 I C 2.262 178.345 176.117 -0.058 0.000 1.059 681 I CA 1.375 62.664 61.300 -0.018 0.000 1.317 681 I CB -0.293 37.752 38.000 0.074 0.000 1.037 681 I HN 0.148 nan 8.210 nan 0.000 0.398 682 L N -0.271 120.917 121.223 -0.058 0.000 2.450 682 L HA -0.163 4.177 4.340 -0.001 0.000 0.224 682 L C 2.084 178.879 176.870 -0.125 0.000 1.149 682 L CA 1.537 56.339 54.840 -0.064 0.000 0.816 682 L CB -0.551 41.483 42.059 -0.041 0.000 0.932 682 L HN 0.203 nan 8.230 nan 0.000 0.449 683 L N 0.234 121.332 121.223 -0.208 0.000 2.095 683 L HA -0.026 4.313 4.340 -0.001 0.000 0.204 683 L C 2.230 178.981 176.870 -0.200 0.000 1.080 683 L CA 1.545 56.225 54.840 -0.267 0.000 0.759 683 L CB -0.508 41.226 42.059 -0.540 0.000 0.914 683 L HN 0.455 nan 8.230 nan 0.000 0.439 684 R N -0.071 120.322 120.500 -0.178 0.000 2.480 684 R HA 0.164 4.503 4.340 -0.001 0.000 0.277 684 R C -0.194 176.057 176.300 -0.082 0.000 1.008 684 R CA -0.009 56.016 56.100 -0.125 0.000 1.090 684 R CB 0.116 30.344 30.300 -0.120 0.000 1.234 684 R HN 0.309 nan 8.270 nan 0.000 0.549 685 N N 0.296 118.951 118.700 -0.074 0.000 2.635 685 N HA 0.111 4.850 4.740 -0.001 0.000 0.252 685 N C -2.788 172.700 175.510 -0.037 0.000 1.589 685 N CA -0.849 52.173 53.050 -0.046 0.000 0.828 685 N CB 1.485 39.954 38.487 -0.030 0.000 1.403 685 N HN -0.043 nan 8.380 nan 0.000 0.518 686 P HA -0.054 nan 4.420 nan 0.000 0.276 686 P C 1.268 178.552 177.300 -0.026 0.000 1.286 686 P CA 0.884 63.959 63.100 -0.042 0.000 0.883 686 P CB 0.449 32.120 31.700 -0.048 0.000 1.125 687 G N -0.050 108.731 108.800 -0.032 0.000 3.133 687 G HA2 -0.457 3.502 3.960 -0.001 0.000 0.357 687 G HA3 -0.457 3.502 3.960 -0.001 0.000 0.357 687 G C 0.711 175.613 174.900 0.003 0.000 1.229 687 G CA 0.898 45.983 45.100 -0.025 0.000 1.018 687 G HN 0.790 nan 8.290 nan 0.000 0.635 688 N N 1.036 119.741 118.700 0.010 0.000 2.756 688 N HA -0.212 4.527 4.740 -0.001 0.000 0.269 688 N C 1.567 177.115 175.510 0.064 0.000 0.949 688 N CA 1.395 54.461 53.050 0.027 0.000 0.845 688 N CB -0.464 38.036 38.487 0.022 0.000 0.919 688 N HN 0.671 nan 8.380 nan 0.000 0.566 689 Q N -0.629 119.212 119.800 0.068 0.000 2.459 689 Q HA -0.275 4.064 4.340 -0.001 0.000 0.218 689 Q C 1.490 177.573 176.000 0.139 0.000 1.002 689 Q CA 1.962 57.832 55.803 0.111 0.000 0.956 689 Q CB -0.257 28.530 28.738 0.081 0.000 0.932 689 Q HN 0.705 nan 8.270 nan 0.000 0.442 690 A N -0.825 122.058 122.820 0.104 0.000 2.067 690 A HA 0.148 4.467 4.320 -0.001 0.000 0.217 690 A C 2.159 179.832 177.584 0.147 0.000 1.156 690 A CA 1.172 53.270 52.037 0.101 0.000 0.683 690 A CB -0.260 18.770 19.000 0.051 0.000 0.808 690 A HN 0.403 nan 8.150 nan 0.000 0.455 691 A N -1.586 121.330 122.820 0.161 0.000 1.929 691 A HA 0.006 4.325 4.320 -0.001 0.000 0.216 691 A C 2.068 179.849 177.584 0.328 0.000 1.176 691 A CA 1.396 53.557 52.037 0.208 0.000 0.628 691 A CB -0.613 18.471 19.000 0.139 0.000 0.816 691 A HN 0.538 nan 8.150 nan 0.000 0.444 692 Y N 0.206 120.598 120.300 0.153 0.000 2.243 692 Y HA -0.037 4.512 4.550 -0.001 0.000 0.293 692 Y C 2.297 178.297 175.900 0.166 0.000 1.124 692 Y CA 1.619 59.827 58.100 0.179 0.000 1.159 692 Y CB -0.356 38.178 38.460 0.122 0.000 1.008 692 Y HN 0.472 nan 8.280 nan 0.000 0.527 693 E N -1.404 118.898 120.200 0.170 0.000 2.153 693 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 693 E C 1.927 178.589 176.600 0.103 0.000 0.988 693 E CA 1.482 57.932 56.400 0.083 0.000 0.811 693 E CB -0.177 29.591 29.700 0.114 0.000 0.746 693 E HN 0.534 nan 8.360 nan 0.000 0.466 694 H N -1.016 118.092 119.070 0.064 0.000 2.276 694 H HA -0.060 4.496 4.556 -0.001 0.000 0.307 694 H C 1.595 176.969 175.328 0.077 0.000 1.061 694 H CA 1.825 57.920 56.048 0.078 0.000 1.336 694 H CB -0.624 29.208 29.762 0.116 0.000 1.396 694 H HN 0.263 nan 8.280 nan 0.000 0.503 695 F N 1.594 121.534 119.950 -0.016 0.000 2.161 695 F HA -0.155 4.371 4.527 -0.001 0.000 0.300 695 F C 2.124 177.815 175.800 -0.182 0.000 1.089 695 F CA 1.568 59.501 58.000 -0.111 0.000 1.282 695 F CB -0.174 38.818 39.000 -0.013 0.000 1.010 695 F HN 0.186 nan 8.300 nan 0.000 0.485 696 E N 0.347 120.280 120.200 -0.445 0.000 2.031 696 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 696 E C 1.352 177.708 176.600 -0.406 0.000 0.994 696 E CA 1.180 57.210 56.400 -0.616 0.000 0.800 696 E CB -0.965 28.370 29.700 -0.608 0.000 0.752 696 E HN 0.301 nan 8.360 nan 0.000 0.447 700 N N 1.969 120.590 118.700 -0.132 0.000 2.149 700 N HA -0.213 4.527 4.740 -0.001 0.000 0.188 700 N C 1.660 177.194 175.510 0.039 0.000 1.019 700 N CA 1.903 54.932 53.050 -0.036 0.000 0.857 700 N CB -0.146 38.293 38.487 -0.080 0.000 0.997 700 N HN 0.443 nan 8.380 nan 0.000 0.426 701 Q N -0.595 119.226 119.800 0.036 0.000 2.084 701 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 701 Q C 2.077 178.163 176.000 0.144 0.000 0.978 701 Q CA 1.494 57.339 55.803 0.070 0.000 0.844 701 Q CB -0.315 28.458 28.738 0.058 0.000 0.898 701 Q HN 0.525 nan 8.270 nan 0.000 0.426 702 W N 0.508 121.806 121.300 -0.004 0.000 2.381 702 W HA -0.068 4.592 4.660 -0.001 0.000 0.301 702 W C 1.524 178.069 176.519 0.044 0.000 1.205 702 W CA 0.928 58.299 57.345 0.042 0.000 1.285 702 W CB 0.046 29.564 29.460 0.096 0.000 1.133 702 W HN 0.102 nan 8.180 nan 0.000 0.521 703 I N 1.095 121.981 120.570 0.526 0.000 2.657 703 I HA -0.258 3.911 4.170 -0.001 0.000 0.261 703 I C 1.388 177.574 176.117 0.116 0.000 1.212 703 I CA 1.354 62.877 61.300 0.372 0.000 1.453 703 I CB -0.761 37.398 38.000 0.265 0.000 1.092 703 I HN 0.062 nan 8.210 nan 0.000 0.452 704 D N 0.733 121.167 120.400 0.057 0.000 2.178 704 D HA -0.153 4.486 4.640 -0.001 0.000 0.217 704 D C 1.744 178.013 176.300 -0.052 0.000 0.992 704 D CA 1.206 55.210 54.000 0.006 0.000 0.895 704 D CB -0.668 40.136 40.800 0.008 0.000 1.031 704 D HN 0.194 nan 8.370 nan 0.000 0.453 705 N N 0.379 119.027 118.700 -0.087 0.000 2.242 705 N HA -0.196 4.543 4.740 -0.001 0.000 0.193 705 N C 1.466 176.848 175.510 -0.213 0.000 1.000 705 N CA 1.263 54.227 53.050 -0.144 0.000 0.885 705 N CB -0.067 38.316 38.487 -0.173 0.000 0.988 705 N HN -0.027 nan 8.380 nan 0.000 0.444 706 V N 0.389 120.127 119.914 -0.294 0.000 2.255 706 V HA -0.121 3.999 4.120 -0.001 0.000 0.243 706 V C 2.420 178.469 176.094 -0.075 0.000 1.038 706 V CA 1.663 63.788 62.300 -0.291 0.000 1.008 706 V CB -0.599 30.974 31.823 -0.418 0.000 0.645 706 V HN 0.358 nan 8.190 nan 0.000 0.449 707 E N 0.338 120.517 120.200 -0.035 0.000 2.209 707 E HA -0.154 4.195 4.350 -0.001 0.000 0.196 707 E C 1.458 178.036 176.600 -0.036 0.000 0.993 707 E CA 0.690 57.088 56.400 -0.003 0.000 0.819 707 E CB -0.113 29.595 29.700 0.013 0.000 0.745 707 E HN 0.448 nan 8.360 nan 0.000 0.477 711 G N 2.186 110.893 108.800 -0.155 0.000 2.433 711 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.216 711 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.216 711 G C 1.433 176.253 174.900 -0.134 0.000 1.186 711 G CA 1.063 46.094 45.100 -0.116 0.000 0.779 711 G HN 0.475 nan 8.290 nan 0.000 0.543 712 L N 0.292 121.433 121.223 -0.136 0.000 2.017 712 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 712 L C 2.987 179.765 176.870 -0.154 0.000 1.073 712 L CA 0.661 55.428 54.840 -0.121 0.000 0.745 712 L CB -0.953 41.047 42.059 -0.098 0.000 0.894 712 L HN 0.076 nan 8.230 nan 0.000 0.432 713 V N 0.011 119.778 119.914 -0.245 0.000 2.332 713 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 713 V C 2.180 178.144 176.094 -0.216 0.000 1.055 713 V CA 1.977 64.115 62.300 -0.271 0.000 1.038 713 V CB -0.558 30.968 31.823 -0.495 0.000 0.651 713 V HN 0.409 nan 8.190 nan 0.000 0.450 714 D N -0.030 120.234 120.400 -0.226 0.000 2.178 714 D HA -0.145 4.494 4.640 -0.001 0.000 0.201 714 D C 2.094 178.330 176.300 -0.107 0.000 0.980 714 D CA 1.027 54.935 54.000 -0.154 0.000 0.842 714 D CB -0.142 40.577 40.800 -0.134 0.000 0.948 714 D HN 0.579 nan 8.370 nan 0.000 0.472 715 E N -0.427 119.713 120.200 -0.099 0.000 2.502 715 E HA 0.102 4.451 4.350 -0.001 0.000 0.194 715 E C 1.413 177.975 176.600 -0.063 0.000 1.062 715 E CA 0.094 56.453 56.400 -0.069 0.000 0.867 715 E CB 0.353 30.018 29.700 -0.059 0.000 0.888 715 E HN 0.170 nan 8.360 nan 0.000 0.510 716 A N 0.543 123.320 122.820 -0.072 0.000 2.063 716 A HA 0.147 4.467 4.320 -0.001 0.000 0.211 716 A C 0.969 178.524 177.584 -0.047 0.000 1.177 716 A CA -0.055 51.949 52.037 -0.054 0.000 0.759 716 A CB 0.266 19.233 19.000 -0.055 0.000 0.857 716 A HN 0.047 nan 8.150 nan 0.000 0.468 717 I N 0.928 121.462 120.570 -0.060 0.000 2.532 717 I HA 0.149 4.318 4.170 -0.001 0.000 0.292 717 I C -0.051 176.035 176.117 -0.053 0.000 1.014 717 I CA -0.391 60.877 61.300 -0.054 0.000 1.340 717 I CB 1.132 39.093 38.000 -0.065 0.000 1.422 717 I HN 0.184 nan 8.210 nan 0.000 0.528 718 D N 3.446 123.819 120.400 -0.045 0.000 2.383 718 D HA 0.043 4.682 4.640 -0.001 0.000 0.252 718 D C 1.054 177.314 176.300 -0.065 0.000 1.166 718 D CA 0.121 54.097 54.000 -0.041 0.000 0.879 718 D CB 1.029 41.812 40.800 -0.028 0.000 1.164 718 D HN 0.605 nan 8.370 nan 0.000 0.462 719 T N 3.315 117.823 114.554 -0.076 0.000 2.653 719 T HA -0.244 4.105 4.350 -0.001 0.000 0.268 719 T C 1.674 176.251 174.700 -0.205 0.000 1.035 719 T CA 1.391 63.392 62.100 -0.165 0.000 1.154 719 T CB -0.142 68.602 68.868 -0.205 0.000 0.862 719 T HN 0.453 nan 8.240 nan 0.000 0.441 720 K N 0.806 121.141 120.400 -0.108 0.000 2.057 720 K HA -0.085 4.234 4.320 -0.001 0.000 0.207 720 K C 2.790 179.347 176.600 -0.072 0.000 1.049 720 K CA 1.568 57.810 56.287 -0.075 0.000 0.931 720 K CB -0.139 32.364 32.500 0.005 0.000 0.714 720 K HN 0.317 nan 8.250 nan 0.000 0.440 721 S N 1.523 117.189 115.700 -0.057 0.000 2.368 721 S HA -0.177 4.292 4.470 -0.001 0.000 0.225 721 S C 1.904 176.467 174.600 -0.061 0.000 1.030 721 S CA 1.116 59.288 58.200 -0.047 0.000 0.999 721 S CB -0.411 62.768 63.200 -0.036 0.000 0.844 721 S HN 0.261 nan 8.310 nan 0.000 0.459 722 L N 1.499 122.672 121.223 -0.084 0.000 1.989 722 L HA -0.117 4.222 4.340 -0.001 0.000 0.211 722 L C 2.191 179.006 176.870 -0.091 0.000 1.071 722 L CA 1.406 56.193 54.840 -0.088 0.000 0.749 722 L CB -0.397 41.595 42.059 -0.112 0.000 0.890 722 L HN 0.221 nan 8.230 nan 0.000 0.431 723 L N -0.261 120.882 121.223 -0.132 0.000 2.042 723 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 723 L C 2.359 179.191 176.870 -0.063 0.000 1.076 723 L CA 1.768 56.535 54.840 -0.120 0.000 0.749 723 L CB -1.662 40.292 42.059 -0.175 0.000 0.893 723 L HN 0.414 nan 8.230 nan 0.000 0.432 724 D N -0.167 120.201 120.400 -0.053 0.000 2.078 724 D HA -0.124 4.515 4.640 -0.001 0.000 0.193 724 D C 2.215 178.501 176.300 -0.023 0.000 0.990 724 D CA 1.582 55.565 54.000 -0.028 0.000 0.827 724 D CB 0.025 40.812 40.800 -0.023 0.000 0.975 724 D HN 0.249 nan 8.370 nan 0.000 0.451 725 A N 0.443 123.246 122.820 -0.029 0.000 1.940 725 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 725 A C 2.411 179.985 177.584 -0.016 0.000 1.176 725 A CA 2.067 54.090 52.037 -0.023 0.000 0.631 725 A CB -0.733 18.251 19.000 -0.027 0.000 0.814 725 A HN 0.181 nan 8.150 nan 0.000 0.446 726 S N -1.178 114.509 115.700 -0.022 0.000 2.368 726 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 726 S C 2.015 176.613 174.600 -0.004 0.000 1.030 726 S CA 1.562 59.753 58.200 -0.014 0.000 0.999 726 S CB -0.227 62.958 63.200 -0.025 0.000 0.844 726 S HN 0.731 nan 8.310 nan 0.000 0.459 727 E N 0.301 120.497 120.200 -0.006 0.000 2.072 727 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 727 E C 2.060 178.666 176.600 0.011 0.000 0.985 727 E CA 0.914 57.316 56.400 0.004 0.000 0.801 727 E CB 0.008 29.710 29.700 0.003 0.000 0.750 727 E HN 0.303 nan 8.360 nan 0.000 0.452 728 E N 0.251 120.454 120.200 0.005 0.000 2.031 728 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 728 E C 2.011 178.620 176.600 0.014 0.000 0.994 728 E CA 1.061 57.466 56.400 0.009 0.000 0.800 728 E CB -0.355 29.345 29.700 -0.000 0.000 0.752 728 E HN 0.334 nan 8.360 nan 0.000 0.447 729 A N 1.326 124.153 122.820 0.010 0.000 1.948 729 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 729 A C 2.322 179.921 177.584 0.025 0.000 1.177 729 A CA 1.327 53.374 52.037 0.016 0.000 0.636 729 A CB -0.712 18.296 19.000 0.013 0.000 0.815 729 A HN 0.222 nan 8.150 nan 0.000 0.449 730 I N -1.115 119.470 120.570 0.024 0.000 2.315 730 I HA -0.252 3.917 4.170 -0.001 0.000 0.248 730 I C 2.516 178.657 176.117 0.040 0.000 1.117 730 I CA 1.606 62.923 61.300 0.029 0.000 1.404 730 I CB -0.327 37.687 38.000 0.023 0.000 1.071 730 I HN 0.320 nan 8.210 nan 0.000 0.419 731 K N 1.331 121.758 120.400 0.044 0.000 2.026 731 K HA -0.223 4.097 4.320 -0.001 0.000 0.208 731 K C 2.084 178.722 176.600 0.063 0.000 1.048 731 K CA 1.793 58.117 56.287 0.062 0.000 0.929 731 K CB -0.103 32.426 32.500 0.050 0.000 0.713 731 K HN 0.251 nan 8.250 nan 0.000 0.439 732 K N 0.444 120.873 120.400 0.048 0.000 2.283 732 K HA -0.110 4.209 4.320 -0.001 0.000 0.202 732 K C 1.122 177.754 176.600 0.052 0.000 1.048 732 K CA 1.802 58.117 56.287 0.047 0.000 0.948 732 K CB 0.147 32.668 32.500 0.035 0.000 0.742 732 K HN -0.041 nan 8.250 nan 0.000 0.458 733 D N 1.053 121.484 120.400 0.052 0.000 2.149 733 D HA -0.077 4.562 4.640 -0.001 0.000 0.201 733 D C 1.759 178.105 176.300 0.077 0.000 0.972 733 D CA 0.792 54.827 54.000 0.058 0.000 0.835 733 D CB -0.042 40.790 40.800 0.054 0.000 0.966 733 D HN 0.198 nan 8.370 nan 0.000 0.476 734 L N 0.512 121.777 121.223 0.071 0.000 2.362 734 L HA -0.160 4.179 4.340 -0.001 0.000 0.219 734 L C 1.461 178.391 176.870 0.100 0.000 1.134 734 L CA 0.900 55.783 54.840 0.072 0.000 0.807 734 L CB 0.105 42.185 42.059 0.035 0.000 0.927 734 L HN -0.093 nan 8.230 nan 0.000 0.447 735 D N -0.253 120.200 120.400 0.089 0.000 2.120 735 D HA -0.123 4.516 4.640 -0.001 0.000 0.202 735 D C 2.087 178.432 176.300 0.075 0.000 0.972 735 D CA 0.928 54.978 54.000 0.083 0.000 0.837 735 D CB 0.135 40.976 40.800 0.068 0.000 0.989 735 D HN 0.147 nan 8.370 nan 0.000 0.469 736 K N 0.009 120.450 120.400 0.067 0.000 2.209 736 K HA -0.081 4.239 4.320 -0.001 0.000 0.204 736 K C 2.172 178.807 176.600 0.058 0.000 1.048 736 K CA 0.495 56.814 56.287 0.054 0.000 0.940 736 K CB -0.206 32.322 32.500 0.047 0.000 0.729 736 K HN 0.199 nan 8.250 nan 0.000 0.451 737 C N 1.499 120.854 119.300 0.092 0.000 2.462 737 C HA -0.053 4.406 4.460 -0.001 0.000 0.278 737 C C 2.443 177.494 174.990 0.102 0.000 1.253 737 C CA 0.681 59.770 59.018 0.118 0.000 1.713 737 C CB -0.411 27.502 27.740 0.289 0.000 2.049 737 C HN 0.459 nan 8.230 nan 0.000 0.477 738 K N 0.298 120.769 120.400 0.120 0.000 2.063 738 K HA -0.133 4.186 4.320 -0.001 0.000 0.208 738 K C 1.803 178.439 176.600 0.060 0.000 1.048 738 K CA 1.172 57.518 56.287 0.098 0.000 0.928 738 K CB -0.514 32.046 32.500 0.100 0.000 0.713 738 K HN 0.348 nan 8.250 nan 0.000 0.442 739 V N 1.676 121.621 119.914 0.051 0.000 2.667 739 V HA -0.107 4.012 4.120 -0.001 0.000 0.252 739 V C 1.354 177.460 176.094 0.020 0.000 1.065 739 V CA 0.979 63.300 62.300 0.035 0.000 1.083 739 V CB -0.507 31.337 31.823 0.034 0.000 0.692 739 V HN 0.307 nan 8.190 nan 0.000 0.468 743 N N 0.046 118.749 118.700 0.004 0.000 2.184 743 N HA 0.351 5.090 4.740 -0.001 0.000 0.206 743 N C -0.248 175.259 175.510 -0.005 0.000 1.151 743 N CA 0.210 53.260 53.050 0.001 0.000 0.878 743 N CB 0.600 39.089 38.487 0.003 0.000 1.014 743 N HN 0.364 nan 8.380 nan 0.000 0.512 744 I N 1.681 122.245 120.570 -0.011 0.000 7.356 744 I HA -0.265 3.904 4.170 -0.001 0.000 0.126 744 I C -0.658 175.446 176.117 -0.022 0.000 1.829 744 I CA 0.610 61.899 61.300 -0.019 0.000 2.068 744 I CB -1.504 36.488 38.000 -0.014 0.000 3.620 744 I HN 0.324 nan 8.210 nan 0.000 0.179 745 Q N 3.322 123.104 119.800 -0.030 0.000 3.605 745 Q HA 0.418 4.757 4.340 -0.001 0.000 0.222 745 Q C -2.285 173.688 176.000 -0.045 0.000 0.915 745 Q CA -1.675 54.110 55.803 -0.030 0.000 0.731 745 Q CB 1.036 29.762 28.738 -0.020 0.000 1.423 745 Q HN 0.165 nan 8.270 nan 0.000 0.446 746 P HA -0.305 nan 4.420 nan 0.000 0.219 746 P C 0.448 177.709 177.300 -0.066 0.000 1.145 746 P CA 1.734 64.790 63.100 -0.073 0.000 0.813 746 P CB 0.246 31.910 31.700 -0.061 0.000 0.771 750 V N 2.321 122.169 119.914 -0.108 0.000 2.282 750 V HA -0.265 3.854 4.120 -0.001 0.000 0.249 750 V C 2.907 178.985 176.094 -0.027 0.000 1.057 750 V CA 2.729 64.985 62.300 -0.075 0.000 1.032 750 V CB -0.597 31.189 31.823 -0.061 0.000 0.645 750 V HN 0.613 nan 8.190 nan 0.000 0.447 751 A N -0.513 122.295 122.820 -0.019 0.000 2.032 751 A HA -0.131 4.188 4.320 -0.001 0.000 0.221 751 A C 2.263 179.858 177.584 0.017 0.000 1.165 751 A CA 2.079 54.116 52.037 -0.001 0.000 0.645 751 A CB -1.050 17.948 19.000 -0.003 0.000 0.807 751 A HN 0.647 nan 8.150 nan 0.000 0.453 752 G N -1.161 107.653 108.800 0.024 0.000 2.426 752 G HA2 0.179 4.139 3.960 -0.001 0.000 0.214 752 G HA3 0.179 4.139 3.960 -0.001 0.000 0.214 752 G C 1.689 176.641 174.900 0.087 0.000 1.156 752 G CA 1.019 46.153 45.100 0.056 0.000 0.802 752 G HN 0.726 nan 8.290 nan 0.000 0.534 753 A N 0.457 123.336 122.820 0.098 0.000 1.898 753 A HA 0.022 4.341 4.320 -0.001 0.000 0.216 753 A C 2.483 180.118 177.584 0.086 0.000 1.181 753 A CA 2.359 54.486 52.037 0.149 0.000 0.620 753 A CB -0.947 18.144 19.000 0.151 0.000 0.819 753 A HN 0.259 nan 8.150 nan 0.000 0.442 754 T N 0.525 115.110 114.554 0.052 0.000 2.652 754 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 754 T C 2.417 177.142 174.700 0.042 0.000 1.039 754 T CA 2.399 64.522 62.100 0.039 0.000 1.153 754 T CB -0.456 68.425 68.868 0.023 0.000 0.863 754 T HN 0.817 nan 8.240 nan 0.000 0.428 755 S N 1.017 116.743 115.700 0.042 0.000 2.382 755 S HA -0.051 4.418 4.470 -0.001 0.000 0.228 755 S C 2.101 176.728 174.600 0.045 0.000 1.027 755 S CA 0.938 59.164 58.200 0.042 0.000 0.991 755 S CB -0.771 62.453 63.200 0.040 0.000 0.823 755 S HN 0.486 nan 8.310 nan 0.000 0.469 756 I N 2.159 122.760 120.570 0.051 0.000 2.179 756 I HA -0.138 4.031 4.170 -0.001 0.000 0.242 756 I C 3.056 179.196 176.117 0.037 0.000 1.088 756 I CA 1.207 62.533 61.300 0.044 0.000 1.357 756 I CB -0.577 37.453 38.000 0.050 0.000 1.051 756 I HN 0.456 nan 8.210 nan 0.000 0.409 757 A N 0.465 123.311 122.820 0.043 0.000 1.902 757 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 757 A C 2.378 179.983 177.584 0.036 0.000 1.181 757 A CA 1.424 53.484 52.037 0.037 0.000 0.623 757 A CB -0.550 18.475 19.000 0.041 0.000 0.818 757 A HN 0.274 nan 8.150 nan 0.000 0.443 758 R N -0.988 119.536 120.500 0.040 0.000 2.088 758 R HA -0.174 4.165 4.340 -0.001 0.000 0.232 758 R C 2.493 178.818 176.300 0.041 0.000 1.136 758 R CA 1.915 58.041 56.100 0.044 0.000 0.926 758 R CB -0.354 29.976 30.300 0.050 0.000 0.837 758 R HN 0.458 nan 8.270 nan 0.000 0.429 759 R N 0.025 120.548 120.500 0.038 0.000 2.162 759 R HA -0.248 4.091 4.340 -0.001 0.000 0.245 759 R C 2.246 178.559 176.300 0.022 0.000 1.129 759 R CA 2.317 58.435 56.100 0.030 0.000 0.940 759 R CB -0.618 29.699 30.300 0.028 0.000 0.875 759 R HN 0.348 nan 8.270 nan 0.000 0.437 760 A N 0.406 123.239 122.820 0.021 0.000 1.972 760 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 760 A C 1.821 179.416 177.584 0.019 0.000 1.169 760 A CA 1.649 53.696 52.037 0.017 0.000 0.635 760 A CB -0.522 18.488 19.000 0.015 0.000 0.810 760 A HN 0.327 nan 8.150 nan 0.000 0.446 761 N N -0.312 118.403 118.700 0.024 0.000 2.106 761 N HA -0.154 4.585 4.740 -0.001 0.000 0.188 761 N C 1.926 177.450 175.510 0.024 0.000 1.029 761 N CA 1.339 54.404 53.050 0.026 0.000 0.848 761 N CB -0.461 38.045 38.487 0.032 0.000 1.007 761 N HN 0.639 nan 8.380 nan 0.000 0.423 762 R N 1.245 121.760 120.500 0.025 0.000 2.096 762 R HA -0.098 4.241 4.340 -0.001 0.000 0.240 762 R C 2.165 178.468 176.300 0.005 0.000 1.139 762 R CA 1.149 57.260 56.100 0.019 0.000 0.952 762 R CB -0.431 29.883 30.300 0.022 0.000 0.854 762 R HN 0.203 nan 8.270 nan 0.000 0.436 763 I N 1.242 121.813 120.570 0.002 0.000 2.151 763 I HA -0.349 3.821 4.170 -0.001 0.000 0.243 763 I C 2.368 178.491 176.117 0.009 0.000 1.080 763 I CA 1.405 62.701 61.300 -0.008 0.000 1.339 763 I CB -0.369 37.627 38.000 -0.007 0.000 1.039 763 I HN 0.277 nan 8.210 nan 0.000 0.409 764 L N 0.045 121.278 121.223 0.018 0.000 2.042 764 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 764 L C 2.604 179.490 176.870 0.028 0.000 1.076 764 L CA 1.222 56.077 54.840 0.025 0.000 0.749 764 L CB -0.625 41.447 42.059 0.021 0.000 0.893 764 L HN 0.315 nan 8.230 nan 0.000 0.432 765 L N -0.651 120.585 121.223 0.021 0.000 1.994 765 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 765 L C 2.655 179.539 176.870 0.023 0.000 1.071 765 L CA 1.391 56.243 54.840 0.020 0.000 0.745 765 L CB -0.596 41.471 42.059 0.014 0.000 0.892 765 L HN 0.109 nan 8.230 nan 0.000 0.431 766 V N 0.246 120.166 119.914 0.010 0.000 2.324 766 V HA -0.341 3.778 4.120 -0.001 0.000 0.250 766 V C 2.773 178.911 176.094 0.073 0.000 1.060 766 V CA 1.893 64.197 62.300 0.007 0.000 1.042 766 V CB -0.812 30.979 31.823 -0.053 0.000 0.650 766 V HN 0.517 nan 8.190 nan 0.000 0.450 767 A N -0.491 122.386 122.820 0.094 0.000 1.858 767 A HA -0.288 4.032 4.320 -0.001 0.000 0.216 767 A C 2.246 179.901 177.584 0.118 0.000 1.190 767 A CA 2.316 54.455 52.037 0.169 0.000 0.617 767 A CB -0.569 18.507 19.000 0.127 0.000 0.827 767 A HN 0.479 nan 8.150 nan 0.000 0.443 768 K N -0.397 120.044 120.400 0.069 0.000 2.074 768 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 768 K C 2.319 178.957 176.600 0.064 0.000 1.048 768 K CA 1.909 58.226 56.287 0.050 0.000 0.926 768 K CB -0.197 32.323 32.500 0.034 0.000 0.713 768 K HN 0.539 nan 8.250 nan 0.000 0.444 769 R N 0.226 120.768 120.500 0.070 0.000 2.075 769 R HA -0.141 4.198 4.340 -0.001 0.000 0.232 769 R C 1.845 178.213 176.300 0.113 0.000 1.126 769 R CA 1.717 57.858 56.100 0.069 0.000 0.963 769 R CB -0.183 30.144 30.300 0.045 0.000 0.858 769 R HN 0.042 nan 8.270 nan 0.000 0.435 770 E N 0.164 120.472 120.200 0.180 0.000 2.153 770 E HA -0.113 4.236 4.350 -0.001 0.000 0.194 770 E C 1.822 178.619 176.600 0.328 0.000 0.988 770 E CA 1.246 57.830 56.400 0.305 0.000 0.811 770 E CB 0.013 30.038 29.700 0.542 0.000 0.746 770 E HN 0.218 nan 8.360 nan 0.000 0.466 771 V N 0.093 120.132 119.914 0.208 0.000 2.379 771 V HA -0.169 3.950 4.120 -0.001 0.000 0.245 771 V C 1.908 178.073 176.094 0.118 0.000 1.044 771 V CA 1.848 64.238 62.300 0.150 0.000 1.036 771 V CB -0.361 31.484 31.823 0.036 0.000 0.664 771 V HN 0.205 nan 8.190 nan 0.000 0.453 772 E N 0.264 120.514 120.200 0.083 0.000 2.204 772 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 772 E C 1.894 178.525 176.600 0.052 0.000 0.989 772 E CA 1.100 57.533 56.400 0.054 0.000 0.824 772 E CB -0.222 29.501 29.700 0.039 0.000 0.756 772 E HN 0.605 nan 8.360 nan 0.000 0.477 773 N N -0.554 118.188 118.700 0.069 0.000 2.467 773 N HA -0.021 4.719 4.740 -0.001 0.000 0.184 773 N C -0.372 175.151 175.510 0.023 0.000 1.106 773 N CA 0.127 53.201 53.050 0.041 0.000 0.892 773 N CB 0.412 38.926 38.487 0.045 0.000 0.969 773 N HN -0.119 nan 8.380 nan 0.000 0.454 774 S N -0.850 114.885 115.700 0.058 0.000 2.578 774 S HA 0.330 4.799 4.470 -0.001 0.000 0.301 774 S C 0.197 174.817 174.600 0.033 0.000 1.091 774 S CA -0.600 57.616 58.200 0.026 0.000 1.032 774 S CB 1.262 64.508 63.200 0.078 0.000 1.064 774 S HN 0.243 nan 8.310 nan 0.000 0.508 775 E N 0.876 121.077 120.200 0.003 0.000 2.562 775 E HA 0.104 4.454 4.350 -0.001 0.000 0.214 775 E C -1.021 175.585 176.600 0.011 0.000 0.979 775 E CA -0.048 56.356 56.400 0.007 0.000 1.002 775 E CB 0.557 30.252 29.700 -0.008 0.000 1.048 775 E HN 0.606 nan 8.360 nan 0.000 0.488 776 D N 1.045 121.456 120.400 0.017 0.000 2.336 776 D HA 0.057 4.696 4.640 -0.001 0.000 0.249 776 D C -1.769 174.571 176.300 0.067 0.000 1.213 776 D CA -2.171 51.846 54.000 0.028 0.000 0.870 776 D CB 1.357 42.157 40.800 -0.000 0.000 1.076 776 D HN -0.216 nan 8.370 nan 0.000 0.483 777 P HA -0.234 nan 4.420 nan 0.000 0.215 777 P C 1.189 178.505 177.300 0.028 0.000 1.163 777 P CA 1.464 64.579 63.100 0.025 0.000 0.894 777 P CB 0.117 31.822 31.700 0.008 0.000 0.791 778 K N -1.229 119.190 120.400 0.032 0.000 2.001 778 K HA -0.225 4.094 4.320 -0.001 0.000 0.214 778 K C 2.082 178.702 176.600 0.033 0.000 1.050 778 K CA 1.674 57.975 56.287 0.024 0.000 0.934 778 K CB -0.932 31.583 32.500 0.024 0.000 0.718 778 K HN -0.054 nan 8.250 nan 0.000 0.443 779 F N 1.941 121.837 119.950 -0.091 0.000 2.011 779 F HA -0.239 4.288 4.527 -0.001 0.000 0.296 779 F C 2.260 177.979 175.800 -0.135 0.000 1.144 779 F CA 2.164 60.082 58.000 -0.136 0.000 1.185 779 F CB -0.419 38.499 39.000 -0.137 0.000 0.961 779 F HN 0.032 nan 8.300 nan 0.000 0.485 780 R N -0.084 120.433 120.500 0.028 0.000 2.174 780 R HA -0.239 4.101 4.340 -0.001 0.000 0.253 780 R C 2.214 178.425 176.300 -0.149 0.000 1.165 780 R CA 1.725 57.776 56.100 -0.082 0.000 0.984 780 R CB -0.782 29.538 30.300 0.034 0.000 0.873 780 R HN 0.491 nan 8.270 nan 0.000 0.456 781 E N 0.713 120.846 120.200 -0.113 0.000 2.060 781 E HA -0.046 4.303 4.350 -0.001 0.000 0.189 781 E C 2.028 178.542 176.600 -0.142 0.000 0.974 781 E CA 0.855 57.196 56.400 -0.099 0.000 0.808 781 E CB 0.044 29.710 29.700 -0.057 0.000 0.768 781 E HN 0.286 nan 8.360 nan 0.000 0.453 782 A N 1.153 123.866 122.820 -0.178 0.000 1.849 782 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 782 A C 2.529 179.954 177.584 -0.265 0.000 1.202 782 A CA 2.091 54.010 52.037 -0.197 0.000 0.629 782 A CB -1.127 17.749 19.000 -0.207 0.000 0.834 782 A HN 0.181 nan 8.150 nan 0.000 0.447 783 V N 0.238 119.867 119.914 -0.475 0.000 2.282 783 V HA -0.337 3.782 4.120 -0.001 0.000 0.249 783 V C 2.570 178.514 176.094 -0.250 0.000 1.057 783 V CA 2.674 64.680 62.300 -0.491 0.000 1.032 783 V CB -0.790 30.483 31.823 -0.917 0.000 0.645 783 V HN 0.694 nan 8.190 nan 0.000 0.447 784 K N -0.016 120.253 120.400 -0.217 0.000 2.020 784 K HA -0.237 4.082 4.320 -0.001 0.000 0.212 784 K C 2.176 178.727 176.600 -0.081 0.000 1.050 784 K CA 1.836 58.053 56.287 -0.116 0.000 0.929 784 K CB -0.517 31.929 32.500 -0.090 0.000 0.714 784 K HN 0.448 nan 8.250 nan 0.000 0.443 785 A N 0.839 123.609 122.820 -0.085 0.000 1.834 785 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 785 A C 2.388 179.944 177.584 -0.046 0.000 1.203 785 A CA 2.338 54.341 52.037 -0.057 0.000 0.621 785 A CB -1.453 17.514 19.000 -0.056 0.000 0.841 785 A HN 0.492 nan 8.150 nan 0.000 0.446 786 A N -0.276 122.511 122.820 -0.054 0.000 1.915 786 A HA -0.269 4.050 4.320 -0.001 0.000 0.220 786 A C 2.567 180.144 177.584 -0.013 0.000 1.198 786 A CA 3.150 55.169 52.037 -0.029 0.000 0.647 786 A CB -1.254 17.728 19.000 -0.029 0.000 0.825 786 A HN 1.147 nan 8.150 nan 0.000 0.456 787 S N -0.780 114.909 115.700 -0.018 0.000 2.423 787 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 787 S C 1.516 176.114 174.600 -0.003 0.000 1.014 787 S CA 1.539 59.740 58.200 0.001 0.000 0.965 787 S CB -0.502 62.700 63.200 0.004 0.000 0.785 787 S HN 0.547 nan 8.310 nan 0.000 0.495 788 D N 0.908 121.300 120.400 -0.013 0.000 2.123 788 D HA -0.009 4.630 4.640 -0.001 0.000 0.200 788 D C 2.035 178.332 176.300 -0.005 0.000 0.976 788 D CA 0.969 54.964 54.000 -0.009 0.000 0.831 788 D CB -0.290 40.501 40.800 -0.015 0.000 0.974 788 D HN 0.388 nan 8.370 nan 0.000 0.469 789 E N 0.929 121.125 120.200 -0.006 0.000 2.023 789 E HA -0.143 4.207 4.350 -0.001 0.000 0.196 789 E C 2.016 178.617 176.600 0.002 0.000 1.003 789 E CA 0.228 56.626 56.400 -0.003 0.000 0.809 789 E CB -0.693 29.005 29.700 -0.003 0.000 0.755 789 E HN 0.121 nan 8.360 nan 0.000 0.449 790 L N 1.012 122.238 121.223 0.004 0.000 2.034 790 L HA -0.302 4.037 4.340 -0.001 0.000 0.217 790 L C 2.100 178.974 176.870 0.007 0.000 1.077 790 L CA 2.658 57.503 54.840 0.008 0.000 0.769 790 L CB -1.301 40.766 42.059 0.013 0.000 0.890 790 L HN 0.225 nan 8.230 nan 0.000 0.435 791 S N -0.453 115.251 115.700 0.007 0.000 2.353 791 S HA -0.281 4.188 4.470 -0.001 0.000 0.222 791 S C 1.842 176.446 174.600 0.007 0.000 1.035 791 S CA 1.586 59.791 58.200 0.008 0.000 1.025 791 S CB -0.817 62.388 63.200 0.008 0.000 0.902 791 S HN 0.584 nan 8.310 nan 0.000 0.440 792 K N 0.650 121.053 120.400 0.005 0.000 2.218 792 K HA -0.079 4.240 4.320 -0.001 0.000 0.205 792 K C 2.227 178.829 176.600 0.004 0.000 1.046 792 K CA 1.500 57.790 56.287 0.004 0.000 0.933 792 K CB -0.652 31.849 32.500 0.003 0.000 0.728 792 K HN 0.353 nan 8.250 nan 0.000 0.454 793 T N 1.194 115.749 114.554 0.002 0.000 3.007 793 T HA -0.005 4.344 4.350 -0.001 0.000 0.270 793 T C 1.623 176.321 174.700 -0.003 0.000 1.107 793 T CA 0.496 62.594 62.100 -0.002 0.000 1.118 793 T CB 0.000 68.867 68.868 -0.002 0.000 0.889 793 T HN 0.105 nan 8.240 nan 0.000 0.506 794 I N 1.250 121.823 120.570 0.005 0.000 2.141 794 I HA -0.108 4.062 4.170 -0.001 0.000 0.236 794 I C 2.755 178.881 176.117 0.016 0.000 1.071 794 I CA 1.401 62.708 61.300 0.010 0.000 1.345 794 I CB -1.230 36.778 38.000 0.015 0.000 1.066 794 I HN 0.329 nan 8.210 nan 0.000 0.406 795 S N 1.031 116.741 115.700 0.017 0.000 2.359 795 S HA -0.035 4.434 4.470 -0.001 0.000 0.224 795 S C -1.256 173.359 174.600 0.024 0.000 1.035 795 S CA 0.080 58.293 58.200 0.021 0.000 1.018 795 S CB -2.336 60.875 63.200 0.018 0.000 0.876 795 S HN 0.262 nan 8.310 nan 0.000 0.448 801 A N 1.042 123.941 122.820 0.133 0.000 1.968 801 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 801 A C 1.861 179.383 177.584 -0.104 0.000 1.169 801 A CA 1.215 53.230 52.037 -0.036 0.000 0.638 801 A CB -0.158 18.877 19.000 0.058 0.000 0.812 801 A HN 0.084 nan 8.150 nan 0.000 0.446 802 K N -0.095 120.287 120.400 -0.030 0.000 2.062 802 K HA 0.021 4.340 4.320 -0.001 0.000 0.205 802 K C 2.353 178.930 176.600 -0.038 0.000 1.051 802 K CA 0.970 57.237 56.287 -0.034 0.000 0.941 802 K CB -0.328 32.166 32.500 -0.009 0.000 0.719 802 K HN 0.394 nan 8.250 nan 0.000 0.440 803 A N 1.495 124.302 122.820 -0.021 0.000 1.865 803 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 803 A C 2.221 179.782 177.584 -0.039 0.000 1.191 803 A CA 1.711 53.737 52.037 -0.017 0.000 0.623 803 A CB -0.813 18.189 19.000 0.003 0.000 0.826 803 A HN 0.106 nan 8.150 nan 0.000 0.444 804 V N 0.005 119.879 119.914 -0.068 0.000 3.488 804 V HA -0.029 4.091 4.120 -0.001 0.000 0.273 804 V C 2.507 178.530 176.094 -0.119 0.000 1.209 804 V CA 0.968 63.207 62.300 -0.102 0.000 1.179 804 V CB -1.715 30.006 31.823 -0.170 0.000 0.842 804 V HN 0.610 nan 8.190 nan 0.000 0.515 805 A N 1.375 124.137 122.820 -0.098 0.000 1.855 805 A HA 0.025 4.344 4.320 -0.001 0.000 0.215 805 A C 2.324 179.871 177.584 -0.062 0.000 1.191 805 A CA 1.863 53.848 52.037 -0.085 0.000 0.613 805 A CB -1.107 17.855 19.000 -0.063 0.000 0.829 805 A HN 0.492 nan 8.150 nan 0.000 0.442 806 G N -0.174 108.599 108.800 -0.046 0.000 2.616 806 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.215 806 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.215 806 G C 0.684 175.564 174.900 -0.033 0.000 1.284 806 G CA 0.574 45.654 45.100 -0.033 0.000 0.823 806 G HN 0.455 nan 8.290 nan 0.000 0.569 807 N N 1.564 120.246 118.700 -0.030 0.000 3.103 807 N HA 0.157 4.896 4.740 -0.001 0.000 0.305 807 N C 1.319 176.809 175.510 -0.033 0.000 1.232 807 N CA -0.124 52.911 53.050 -0.024 0.000 1.190 807 N CB 0.082 38.560 38.487 -0.014 0.000 1.461 807 N HN 0.206 nan 8.380 nan 0.000 0.538 808 I N -0.364 120.181 120.570 -0.042 0.000 2.454 808 I HA -0.236 3.933 4.170 -0.001 0.000 0.254 808 I C 1.318 177.416 176.117 -0.031 0.000 1.156 808 I CA 1.146 62.414 61.300 -0.053 0.000 1.433 808 I CB 0.055 38.021 38.000 -0.058 0.000 1.082 808 I HN 0.318 nan 8.210 nan 0.000 0.432 809 S N -1.569 114.120 115.700 -0.019 0.000 2.524 809 S HA -0.003 4.466 4.470 -0.001 0.000 0.215 809 S C 0.533 175.133 174.600 -0.001 0.000 0.986 809 S CA -0.457 57.738 58.200 -0.007 0.000 0.911 809 S CB -0.171 63.026 63.200 -0.005 0.000 0.805 809 S HN 0.363 nan 8.310 nan 0.000 0.501 810 D N 3.907 124.305 120.400 -0.004 0.000 2.339 810 D HA 0.367 5.006 4.640 -0.001 0.000 0.256 810 D C -2.446 173.860 176.300 0.010 0.000 1.214 810 D CA -1.823 52.178 54.000 0.002 0.000 0.877 810 D CB 0.889 41.688 40.800 -0.001 0.000 1.111 810 D HN 0.095 nan 8.370 nan 0.000 0.478 811 P HA 0.221 nan 4.420 nan 0.000 0.282 811 P C 0.971 178.286 177.300 0.025 0.000 1.286 811 P CA 0.060 63.174 63.100 0.024 0.000 0.777 811 P CB 0.444 32.158 31.700 0.023 0.000 1.184 812 G N -1.692 107.127 108.800 0.031 0.000 2.302 812 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.263 812 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.263 812 G C 0.682 175.603 174.900 0.035 0.000 0.995 812 G CA 0.675 45.793 45.100 0.030 0.000 0.622 812 G HN 0.466 nan 8.290 nan 0.000 0.538 813 L N 0.305 121.549 121.223 0.036 0.000 2.362 813 L HA 0.299 4.638 4.340 -0.001 0.000 0.204 813 L C 2.818 179.732 176.870 0.073 0.000 1.060 813 L CA 2.211 57.075 54.840 0.039 0.000 0.827 813 L CB -0.312 41.755 42.059 0.014 0.000 1.027 813 L HN 0.540 nan 8.230 nan 0.000 0.474 814 Q N -0.765 119.078 119.800 0.072 0.000 2.311 814 Q HA -0.076 4.263 4.340 -0.001 0.000 0.203 814 Q C 1.369 177.464 176.000 0.158 0.000 0.954 814 Q CA 0.592 56.473 55.803 0.129 0.000 0.885 814 Q CB -0.117 28.672 28.738 0.084 0.000 0.963 814 Q HN 0.281 nan 8.270 nan 0.000 0.471 815 K N 1.136 121.592 120.400 0.093 0.000 2.076 815 K HA 0.071 4.390 4.320 -0.001 0.000 0.204 815 K C 1.997 178.625 176.600 0.046 0.000 1.051 815 K CA 0.988 57.313 56.287 0.063 0.000 0.949 815 K CB -0.415 32.115 32.500 0.049 0.000 0.726 815 K HN 0.043 nan 8.250 nan 0.000 0.443 816 S N 1.165 116.903 115.700 0.063 0.000 2.481 816 S HA -0.042 4.427 4.470 -0.001 0.000 0.231 816 S C 1.518 176.160 174.600 0.069 0.000 0.996 816 S CA 0.545 58.775 58.200 0.051 0.000 0.942 816 S CB -0.324 62.907 63.200 0.053 0.000 0.768 816 S HN 0.324 nan 8.310 nan 0.000 0.520 817 F N 2.469 122.390 119.950 -0.049 0.000 2.104 817 F HA 0.206 4.732 4.527 -0.001 0.000 0.288 817 F C 1.681 177.404 175.800 -0.127 0.000 1.107 817 F CA 0.824 58.782 58.000 -0.071 0.000 1.208 817 F CB -0.706 38.257 39.000 -0.062 0.000 1.033 817 F HN 0.011 nan 8.300 nan 0.000 0.478 818 L N 0.825 121.803 121.223 -0.407 0.000 2.189 818 L HA -0.226 4.113 4.340 -0.001 0.000 0.214 818 L C 2.133 178.645 176.870 -0.597 0.000 1.097 818 L CA 1.920 56.359 54.840 -0.668 0.000 0.764 818 L CB -1.017 40.858 42.059 -0.307 0.000 0.900 818 L HN 0.409 nan 8.230 nan 0.000 0.436 819 D N -0.753 119.489 120.400 -0.263 0.000 2.097 819 D HA -0.162 4.477 4.640 -0.001 0.000 0.197 819 D C 2.013 178.221 176.300 -0.153 0.000 0.984 819 D CA 1.562 55.489 54.000 -0.121 0.000 0.826 819 D CB -0.037 40.745 40.800 -0.031 0.000 0.973 819 D HN 0.069 nan 8.370 nan 0.000 0.460 820 S N -0.366 115.223 115.700 -0.185 0.000 2.423 820 S HA 0.054 4.523 4.470 -0.001 0.000 0.231 820 S C 1.955 176.417 174.600 -0.229 0.000 1.014 820 S CA 0.734 58.845 58.200 -0.149 0.000 0.965 820 S CB -0.605 62.537 63.200 -0.097 0.000 0.785 820 S HN 0.545 nan 8.310 nan 0.000 0.495 821 G N 1.277 109.803 108.800 -0.456 0.000 2.604 821 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 821 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 821 G C 0.960 175.677 174.900 -0.306 0.000 1.265 821 G CA 0.825 45.603 45.100 -0.537 0.000 0.804 821 G HN 0.493 nan 8.290 nan 0.000 0.579 822 Y N 0.749 120.958 120.300 -0.152 0.000 2.446 822 Y HA -0.058 4.491 4.550 -0.001 0.000 0.287 822 Y C 2.759 178.620 175.900 -0.066 0.000 1.159 822 Y CA 0.893 58.939 58.100 -0.090 0.000 1.297 822 Y CB -0.542 37.875 38.460 -0.072 0.000 0.974 822 Y HN 0.145 nan 8.280 nan 0.000 0.557 823 R N -0.034 120.483 120.500 0.029 0.000 2.148 823 R HA -0.055 4.284 4.340 -0.001 0.000 0.223 823 R C 1.954 178.257 176.300 0.005 0.000 1.088 823 R CA 0.834 56.942 56.100 0.014 0.000 0.985 823 R CB -0.240 30.052 30.300 -0.013 0.000 0.880 823 R HN 0.339 nan 8.270 nan 0.000 0.451 824 I N 0.157 120.719 120.570 -0.014 0.000 2.141 824 I HA -0.274 3.895 4.170 -0.001 0.000 0.236 824 I C 2.003 178.129 176.117 0.015 0.000 1.071 824 I CA 1.026 62.321 61.300 -0.008 0.000 1.345 824 I CB -0.201 37.782 38.000 -0.027 0.000 1.066 824 I HN 0.176 nan 8.210 nan 0.000 0.406 825 L N 0.605 121.846 121.223 0.031 0.000 2.151 825 L HA -0.260 4.080 4.340 -0.001 0.000 0.215 825 L C 2.443 179.337 176.870 0.041 0.000 1.084 825 L CA 1.593 56.463 54.840 0.051 0.000 0.764 825 L CB -1.027 41.095 42.059 0.105 0.000 0.891 825 L HN 0.424 nan 8.230 nan 0.000 0.435 826 G N -0.986 107.839 108.800 0.042 0.000 2.434 826 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.214 826 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.214 826 G C 1.702 176.614 174.900 0.020 0.000 1.202 826 G CA 0.656 45.773 45.100 0.028 0.000 0.788 826 G HN 0.473 nan 8.290 nan 0.000 0.539 827 A N 0.455 123.286 122.820 0.018 0.000 2.024 827 A HA 0.028 4.347 4.320 -0.001 0.000 0.220 827 A C 2.644 180.240 177.584 0.020 0.000 1.164 827 A CA 2.438 54.484 52.037 0.015 0.000 0.643 827 A CB -0.726 18.280 19.000 0.010 0.000 0.806 827 A HN 1.005 nan 8.150 nan 0.000 0.451 828 V N -3.086 116.840 119.914 0.021 0.000 2.667 828 V HA 0.069 4.188 4.120 -0.001 0.000 0.252 828 V C 2.296 178.407 176.094 0.028 0.000 1.065 828 V CA 1.737 64.050 62.300 0.023 0.000 1.083 828 V CB -1.034 30.799 31.823 0.017 0.000 0.692 828 V HN 0.466 nan 8.190 nan 0.000 0.468 829 A N 0.112 122.948 122.820 0.026 0.000 1.970 829 A HA 0.011 4.331 4.320 -0.001 0.000 0.216 829 A C 2.299 179.904 177.584 0.035 0.000 1.170 829 A CA 1.445 53.499 52.037 0.028 0.000 0.645 829 A CB -0.459 18.553 19.000 0.019 0.000 0.816 829 A HN 0.539 nan 8.150 nan 0.000 0.447 830 K N -0.258 120.159 120.400 0.028 0.000 2.147 830 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 830 K C 1.821 178.443 176.600 0.035 0.000 1.049 830 K CA 1.471 57.772 56.287 0.023 0.000 0.936 830 K CB -0.164 32.342 32.500 0.011 0.000 0.722 830 K HN 0.402 nan 8.250 nan 0.000 0.446 831 V N -0.732 119.218 119.914 0.060 0.000 2.878 831 V HA -0.020 4.099 4.120 -0.001 0.000 0.250 831 V C 2.027 178.264 176.094 0.237 0.000 1.075 831 V CA 0.889 63.260 62.300 0.118 0.000 1.096 831 V CB -0.227 31.668 31.823 0.119 0.000 0.724 831 V HN 0.225 nan 8.190 nan 0.000 0.467 832 R N -0.160 120.429 120.500 0.149 0.000 2.073 832 R HA -0.161 4.178 4.340 -0.001 0.000 0.234 832 R C 2.281 178.699 176.300 0.196 0.000 1.134 832 R CA 2.077 58.269 56.100 0.153 0.000 0.952 832 R CB -0.308 30.032 30.300 0.067 0.000 0.850 832 R HN 0.577 nan 8.270 nan 0.000 0.433 833 E N 0.483 120.753 120.200 0.117 0.000 2.013 833 E HA -0.173 4.177 4.350 -0.001 0.000 0.202 833 E C 1.727 178.372 176.600 0.076 0.000 1.018 833 E CA 1.830 58.279 56.400 0.081 0.000 0.834 833 E CB -0.578 29.145 29.700 0.038 0.000 0.770 833 E HN 0.384 nan 8.360 nan 0.000 0.459 834 A N -0.808 122.015 122.820 0.005 0.000 2.266 834 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 834 A C 1.560 178.981 177.584 -0.272 0.000 1.178 834 A CA 1.355 53.291 52.037 -0.169 0.000 0.678 834 A CB -0.779 18.028 19.000 -0.322 0.000 0.789 834 A HN 0.271 nan 8.150 nan 0.000 0.486 835 F N -1.708 118.272 119.950 0.051 0.000 2.706 835 F HA 0.214 4.741 4.527 -0.001 0.000 0.308 835 F C 0.939 176.804 175.800 0.109 0.000 1.095 835 F CA -0.354 57.730 58.000 0.140 0.000 1.244 835 F CB 0.285 39.347 39.000 0.102 0.000 1.063 835 F HN 0.021 nan 8.300 nan 0.000 0.582 836 Q N 3.353 123.274 119.800 0.202 0.000 2.263 836 Q HA 0.052 4.391 4.340 -0.001 0.000 0.289 836 Q C -2.099 173.966 176.000 0.108 0.000 1.061 836 Q CA -1.662 54.220 55.803 0.131 0.000 0.927 836 Q CB 0.096 28.886 28.738 0.086 0.000 1.154 836 Q HN 0.048 nan 8.270 nan 0.000 0.378 837 P HA -0.053 nan 4.420 nan 0.000 0.267 837 P C -0.434 176.897 177.300 0.052 0.000 1.200 837 P CA -0.246 62.893 63.100 0.066 0.000 0.772 837 P CB 0.593 32.325 31.700 0.054 0.000 0.855 838 Q N 1.854 121.677 119.800 0.039 0.000 2.337 838 Q HA 0.026 4.365 4.340 -0.001 0.000 0.270 838 Q C 0.032 176.052 176.000 0.033 0.000 1.002 838 Q CA 0.559 56.380 55.803 0.030 0.000 0.888 838 Q CB 0.050 28.798 28.738 0.016 0.000 1.222 838 Q HN 0.297 nan 8.270 nan 0.000 0.400 839 E N 5.293 125.514 120.200 0.036 0.000 2.328 839 E HA 0.107 4.456 4.350 -0.001 0.000 0.265 839 E C -1.919 174.712 176.600 0.052 0.000 1.057 839 E CA -1.388 55.042 56.400 0.049 0.000 0.916 839 E CB 0.193 29.927 29.700 0.057 0.000 0.993 839 E HN 0.533 nan 8.360 nan 0.000 0.446 840 P HA -0.097 nan 4.420 nan 0.000 0.269 840 P C -0.596 176.763 177.300 0.099 0.000 1.200 840 P CA 0.571 63.715 63.100 0.072 0.000 0.779 840 P CB 0.620 32.374 31.700 0.089 0.000 0.841 841 D N -0.760 119.675 120.400 0.058 0.000 2.723 841 D HA 0.661 5.300 4.640 -0.001 0.000 0.247 841 D C -1.067 175.339 176.300 0.177 0.000 1.134 841 D CA -0.114 53.849 54.000 -0.063 0.000 1.099 841 D CB 0.580 41.204 40.800 -0.293 0.000 1.287 841 D HN 0.237 nan 8.370 nan 0.000 0.634 842 F N 0.008 119.957 119.950 -0.001 0.000 2.557 842 F HA 0.572 5.098 4.527 -0.001 0.000 0.316 842 F C -2.162 173.635 175.800 -0.006 0.000 1.141 842 F CA -1.818 56.181 58.000 -0.001 0.000 0.922 842 F CB -0.714 38.286 39.000 -0.000 0.000 1.194 842 F HN 0.032 nan 8.300 nan 0.000 0.443 878 P HA -0.038 nan 4.420 nan 0.000 0.215 878 P C -0.034 177.271 177.300 0.008 0.000 1.157 878 P CA 1.252 64.357 63.100 0.008 0.000 0.874 878 P CB 0.426 32.130 31.700 0.007 0.000 0.790 879 E N -1.709 118.496 120.200 0.008 0.000 2.299 879 E HA 0.216 4.566 4.350 -0.001 0.000 0.260 879 E C -1.747 174.859 176.600 0.009 0.000 1.288 879 E CA -0.784 55.621 56.400 0.009 0.000 0.904 879 E CB 0.953 30.658 29.700 0.009 0.000 1.562 879 E HN -0.006 nan 8.360 nan 0.000 0.462 880 E N 1.014 121.220 120.200 0.010 0.000 2.506 880 E HA 0.255 4.604 4.350 -0.001 0.000 0.308 880 E C -1.949 174.660 176.600 0.014 0.000 0.931 880 E CA -0.435 55.972 56.400 0.011 0.000 0.800 880 E CB 1.305 31.012 29.700 0.012 0.000 1.292 880 E HN 0.514 nan 8.360 nan 0.000 0.401 881 K N 3.127 123.536 120.400 0.016 0.000 2.842 881 K HA 0.260 4.579 4.320 -0.001 0.000 0.176 881 K C -0.864 175.752 176.600 0.027 0.000 1.080 881 K CA -0.765 55.534 56.287 0.021 0.000 0.954 881 K CB 0.500 33.011 32.500 0.018 0.000 1.203 881 K HN 0.402 nan 8.250 nan 0.000 0.611 882 D N 0.377 120.797 120.400 0.033 0.000 2.368 882 D HA 0.027 4.666 4.640 -0.001 0.000 0.240 882 D C -0.011 176.326 176.300 0.062 0.000 1.169 882 D CA -0.226 53.801 54.000 0.045 0.000 0.906 882 D CB 0.752 41.580 40.800 0.047 0.000 1.187 882 D HN 0.057 nan 8.370 nan 0.000 0.435 883 E N 0.242 120.488 120.200 0.077 0.000 2.331 883 E HA 0.180 4.529 4.350 -0.001 0.000 0.272 883 E C 0.082 176.764 176.600 0.137 0.000 1.036 883 E CA -0.421 56.031 56.400 0.087 0.000 0.864 883 E CB 1.041 30.785 29.700 0.072 0.000 1.035 883 E HN 0.486 nan 8.360 nan 0.000 0.408 884 E N 0.876 121.147 120.200 0.120 0.000 2.435 884 E HA 0.059 4.409 4.350 -0.001 0.000 0.254 884 E C -0.839 175.868 176.600 0.179 0.000 1.289 884 E CA -0.178 56.316 56.400 0.158 0.000 0.983 884 E CB 0.355 30.112 29.700 0.096 0.000 1.010 884 E HN 0.263 nan 8.360 nan 0.000 0.509 885 F N 2.844 122.750 119.950 -0.073 0.000 2.334 885 F HA 0.367 4.894 4.527 -0.001 0.000 0.367 885 F C -2.070 173.651 175.800 -0.132 0.000 1.115 885 F CA -2.954 54.906 58.000 -0.233 0.000 1.116 885 F CB 0.914 39.545 39.000 -0.616 0.000 1.230 885 F HN 0.177 nan 8.300 nan 0.000 0.484 886 P HA 0.187 nan 4.420 nan 0.000 0.276 886 P C -1.000 175.927 177.300 -0.620 0.000 1.264 886 P CA 0.141 62.989 63.100 -0.420 0.000 0.769 886 P CB 1.184 32.714 31.700 -0.284 0.000 0.840 887 E N 0.946 120.916 120.200 -0.383 0.000 2.555 887 E HA -0.015 4.335 4.350 -0.001 0.000 0.209 887 E C 0.040 176.549 176.600 -0.151 0.000 0.847 887 E CA -0.208 56.012 56.400 -0.299 0.000 1.438 887 E CB -0.164 29.407 29.700 -0.214 0.000 1.420 887 E HN 0.455 nan 8.360 nan 0.000 0.755 888 Q N 1.980 121.710 119.800 -0.116 0.000 2.320 888 Q HA 0.114 4.453 4.340 -0.001 0.000 0.262 888 Q C 0.066 176.026 176.000 -0.068 0.000 1.225 888 Q CA 0.517 56.277 55.803 -0.072 0.000 0.916 888 Q CB 0.356 29.061 28.738 -0.055 0.000 1.417 888 Q HN -0.071 nan 8.270 nan 0.000 0.462 889 K N 0.960 121.325 120.400 -0.058 0.000 2.564 889 K HA 0.193 4.512 4.320 -0.001 0.000 0.201 889 K C -0.331 176.249 176.600 -0.032 0.000 1.086 889 K CA -0.204 56.054 56.287 -0.048 0.000 1.062 889 K CB 0.678 33.145 32.500 -0.055 0.000 0.849 889 K HN 0.637 nan 8.250 nan 0.000 0.529 890 A N 1.167 123.971 122.820 -0.028 0.000 1.702 890 A HA -0.072 4.247 4.320 -0.001 0.000 0.229 890 A C 0.854 178.428 177.584 -0.016 0.000 1.240 890 A CA 1.026 53.051 52.037 -0.020 0.000 0.725 890 A CB -1.960 17.030 19.000 -0.017 0.000 1.188 890 A HN 0.679 nan 8.150 nan 0.000 0.251 891 G N 1.023 109.815 108.800 -0.014 0.000 2.247 891 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.265 891 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.265 891 G C -0.116 174.777 174.900 -0.011 0.000 0.861 891 G CA 1.107 46.201 45.100 -0.010 0.000 1.289 891 G HN 1.367 nan 8.290 nan 0.000 0.403 892 E N -0.730 119.462 120.200 -0.014 0.000 2.264 892 E HA 0.550 4.899 4.350 -0.001 0.000 0.260 892 E C 0.430 177.024 176.600 -0.010 0.000 0.961 892 E CA -0.890 55.501 56.400 -0.014 0.000 0.834 892 E CB 1.749 31.436 29.700 -0.022 0.000 1.230 892 E HN 0.438 nan 8.360 nan 0.000 0.412 893 V N 4.474 124.383 119.914 -0.008 0.000 2.304 893 V HA 0.100 4.220 4.120 -0.001 0.000 0.239 893 V C -0.546 175.546 176.094 -0.003 0.000 1.201 893 V CA 0.308 62.606 62.300 -0.003 0.000 1.254 893 V CB -0.963 30.861 31.823 0.001 0.000 1.335 893 V HN 0.395 nan 8.190 nan 0.000 0.491 894 I N 4.745 125.313 120.570 -0.003 0.000 2.676 894 I HA 0.380 4.549 4.170 -0.001 0.000 0.309 894 I C 0.630 176.751 176.117 0.007 0.000 0.990 894 I CA -0.252 61.048 61.300 -0.001 0.000 1.168 894 I CB 1.719 39.716 38.000 -0.006 0.000 1.343 894 I HN 0.440 nan 8.210 nan 0.000 0.482 895 N N 3.371 122.078 118.700 0.012 0.000 2.806 895 N HA 0.010 4.749 4.740 -0.001 0.000 0.315 895 N C 0.943 176.464 175.510 0.017 0.000 1.738 895 N CA -0.233 52.826 53.050 0.015 0.000 0.993 895 N CB 0.246 38.745 38.487 0.019 0.000 1.324 895 N HN 0.570 nan 8.380 nan 0.000 0.493 896 Q N 1.122 120.932 119.800 0.017 0.000 2.410 896 Q HA -0.214 4.125 4.340 -0.001 0.000 0.227 896 Q C -1.598 174.415 176.000 0.022 0.000 1.099 896 Q CA 2.067 57.883 55.803 0.020 0.000 0.988 896 Q CB -2.079 26.669 28.738 0.016 0.000 1.051 896 Q HN 0.447 nan 8.270 nan 0.000 0.518 902 A N 0.641 123.508 122.820 0.078 0.000 1.865 902 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 902 A C 2.099 179.667 177.584 -0.027 0.000 1.191 902 A CA 2.228 54.323 52.037 0.097 0.000 0.623 902 A CB -0.656 18.472 19.000 0.213 0.000 0.826 902 A HN 0.545 nan 8.150 nan 0.000 0.444 903 R N -0.672 119.811 120.500 -0.028 0.000 2.097 903 R HA -0.234 4.106 4.340 -0.001 0.000 0.236 903 R C 2.546 178.735 176.300 -0.185 0.000 1.135 903 R CA 2.210 58.120 56.100 -0.316 0.000 0.934 903 R CB -0.413 29.889 30.300 0.004 0.000 0.846 903 R HN 0.724 nan 8.270 nan 0.000 0.431 904 Q N 0.296 120.066 119.800 -0.049 0.000 2.045 904 Q HA -0.233 4.107 4.340 -0.001 0.000 0.206 904 Q C 2.278 178.271 176.000 -0.011 0.000 0.991 904 Q CA 1.966 57.761 55.803 -0.013 0.000 0.851 904 Q CB -0.278 28.469 28.738 0.015 0.000 0.911 904 Q HN 0.415 nan 8.270 nan 0.000 0.418 905 L N 0.461 121.682 121.223 -0.003 0.000 1.956 905 L HA -0.299 4.041 4.340 -0.001 0.000 0.216 905 L C 2.770 179.638 176.870 -0.004 0.000 1.073 905 L CA 2.033 56.881 54.840 0.013 0.000 0.762 905 L CB -0.693 41.383 42.059 0.029 0.000 0.889 905 L HN 0.550 nan 8.230 nan 0.000 0.433 906 H N 0.263 119.237 119.070 -0.160 0.000 2.321 906 H HA -0.261 4.294 4.556 -0.001 0.000 0.295 906 H C 1.772 177.005 175.328 -0.159 0.000 1.102 906 H CA 2.349 58.274 56.048 -0.204 0.000 1.266 906 H CB -0.435 29.038 29.762 -0.480 0.000 1.363 906 H HN 0.475 nan 8.280 nan 0.000 0.492 907 D N 0.397 120.768 120.400 -0.048 0.000 2.133 907 D HA -0.197 4.442 4.640 -0.001 0.000 0.192 907 D C 2.207 178.443 176.300 -0.106 0.000 1.001 907 D CA 1.735 55.697 54.000 -0.062 0.000 0.844 907 D CB -0.297 40.505 40.800 0.004 0.000 0.944 907 D HN 0.566 nan 8.370 nan 0.000 0.447 908 E N 0.962 121.138 120.200 -0.040 0.000 2.017 908 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 908 E C 2.007 178.660 176.600 0.087 0.000 0.997 908 E CA 1.630 58.051 56.400 0.035 0.000 0.804 908 E CB -0.276 29.468 29.700 0.074 0.000 0.757 908 E HN 0.164 nan 8.360 nan 0.000 0.448 909 A N 0.908 123.758 122.820 0.049 0.000 1.978 909 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 909 A C 2.210 179.820 177.584 0.044 0.000 1.170 909 A CA 1.497 53.600 52.037 0.111 0.000 0.636 909 A CB -0.628 18.383 19.000 0.019 0.000 0.810 909 A HN 0.204 nan 8.150 nan 0.000 0.448 910 R N -0.046 120.341 120.500 -0.189 0.000 2.316 910 R HA -0.137 4.202 4.340 -0.001 0.000 0.232 910 R C 1.344 177.566 176.300 -0.132 0.000 1.137 910 R CA 1.334 57.281 56.100 -0.255 0.000 1.012 910 R CB -0.146 29.880 30.300 -0.456 0.000 0.859 910 R HN 0.602 nan 8.270 nan 0.000 0.474 911 K N -1.261 119.065 120.400 -0.123 0.000 2.243 911 K HA -0.072 4.247 4.320 -0.001 0.000 0.201 911 K C 0.327 176.678 176.600 -0.416 0.000 1.051 911 K CA 0.722 56.810 56.287 -0.330 0.000 0.970 911 K CB 0.154 32.340 32.500 -0.522 0.000 0.755 911 K HN 0.034 nan 8.250 nan 0.000 0.465 912 W N 1.250 122.557 121.300 0.012 0.000 2.941 912 W HA 0.252 4.911 4.660 -0.001 0.000 0.352 912 W C 0.084 176.587 176.519 -0.027 0.000 1.368 912 W CA -0.909 56.450 57.345 0.024 0.000 1.232 912 W CB 0.278 29.786 29.460 0.081 0.000 1.586 912 W HN -0.260 nan 8.180 nan 0.000 0.649 913 S N -0.801 115.041 115.700 0.238 0.000 2.475 913 S HA 0.343 4.812 4.470 -0.001 0.000 0.298 913 S C 0.302 174.904 174.600 0.004 0.000 1.119 913 S CA -0.557 57.693 58.200 0.084 0.000 1.085 913 S CB 1.447 64.685 63.200 0.062 0.000 1.028 913 S HN 0.414 nan 8.310 nan 0.000 0.489 914 S N 0.813 116.502 115.700 -0.019 0.000 2.561 914 S HA -0.004 4.465 4.470 -0.001 0.000 0.225 914 S C 0.413 174.963 174.600 -0.083 0.000 0.977 914 S CA -0.158 58.002 58.200 -0.066 0.000 0.926 914 S CB -0.527 62.650 63.200 -0.039 0.000 0.769 914 S HN 0.741 nan 8.310 nan 0.000 0.533 915 K N 2.210 122.576 120.400 -0.058 0.000 2.382 915 K HA 0.318 4.637 4.320 -0.001 0.000 0.286 915 K C 1.007 177.556 176.600 -0.086 0.000 1.062 915 K CA 0.532 56.788 56.287 -0.053 0.000 1.000 915 K CB -0.756 31.730 32.500 -0.023 0.000 0.954 915 K HN 0.326 nan 8.250 nan 0.000 0.470 916 G N 2.630 111.373 108.800 -0.096 0.000 2.176 916 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.252 916 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.252 916 G C -0.212 174.569 174.900 -0.199 0.000 1.024 916 G CA 0.088 45.118 45.100 -0.116 0.000 0.755 916 G HN 0.689 nan 8.290 nan 0.000 0.507 917 N N -0.013 118.552 118.700 -0.225 0.000 2.732 917 N HA 0.255 4.995 4.740 -0.001 0.000 0.247 917 N C 0.464 175.829 175.510 -0.243 0.000 1.305 917 N CA -0.030 52.819 53.050 -0.336 0.000 0.762 917 N CB 0.915 39.090 38.487 -0.520 0.000 1.361 917 N HN 0.020 nan 8.380 nan 0.000 0.545 918 D N 1.996 122.282 120.400 -0.190 0.000 2.178 918 D HA -0.030 4.609 4.640 -0.001 0.000 0.201 918 D C 2.015 178.246 176.300 -0.115 0.000 0.980 918 D CA 0.733 54.655 54.000 -0.129 0.000 0.842 918 D CB 0.624 41.361 40.800 -0.104 0.000 0.948 918 D HN 0.560 nan 8.370 nan 0.000 0.472 919 I N 0.484 120.968 120.570 -0.142 0.000 2.179 919 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 919 I C 1.966 178.027 176.117 -0.093 0.000 1.088 919 I CA 0.753 61.995 61.300 -0.095 0.000 1.357 919 I CB -0.392 37.566 38.000 -0.069 0.000 1.051 919 I HN 0.035 nan 8.210 nan 0.000 0.409 920 I N 1.534 122.001 120.570 -0.172 0.000 2.163 920 I HA -0.245 3.924 4.170 -0.001 0.000 0.243 920 I C 2.928 179.011 176.117 -0.057 0.000 1.085 920 I CA 1.606 62.837 61.300 -0.115 0.000 1.347 920 I CB -1.583 36.313 38.000 -0.173 0.000 1.044 920 I HN 0.141 nan 8.210 nan 0.000 0.408 921 A N 0.939 123.716 122.820 -0.071 0.000 1.849 921 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 921 A C 2.585 180.159 177.584 -0.017 0.000 1.202 921 A CA 2.824 54.838 52.037 -0.038 0.000 0.629 921 A CB -1.272 17.699 19.000 -0.048 0.000 0.834 921 A HN 0.424 nan 8.150 nan 0.000 0.447 922 A N -0.442 122.364 122.820 -0.024 0.000 1.927 922 A HA 0.005 4.325 4.320 -0.001 0.000 0.220 922 A C 2.507 180.096 177.584 0.008 0.000 1.185 922 A CA 2.819 54.851 52.037 -0.008 0.000 0.639 922 A CB -1.192 17.799 19.000 -0.015 0.000 0.820 922 A HN 1.243 nan 8.150 nan 0.000 0.451 923 A N -0.354 122.470 122.820 0.007 0.000 1.828 923 A HA -0.184 4.135 4.320 -0.001 0.000 0.215 923 A C 2.086 179.691 177.584 0.036 0.000 1.203 923 A CA 1.884 53.935 52.037 0.023 0.000 0.614 923 A CB -0.655 18.360 19.000 0.026 0.000 0.844 923 A HN 0.518 nan 8.150 nan 0.000 0.445 924 K N -0.167 120.251 120.400 0.029 0.000 2.077 924 K HA -0.180 4.139 4.320 -0.001 0.000 0.213 924 K C 1.128 177.784 176.600 0.094 0.000 1.051 924 K CA 1.291 57.610 56.287 0.053 0.000 0.929 924 K CB -0.295 32.227 32.500 0.035 0.000 0.715 924 K HN 0.435 nan 8.250 nan 0.000 0.451 928 L N 1.310 122.671 121.223 0.230 0.000 2.141 928 L HA 0.122 4.461 4.340 -0.001 0.000 0.209 928 L C 1.385 178.326 176.870 0.118 0.000 1.094 928 L CA 0.756 55.721 54.840 0.209 0.000 0.763 928 L CB -0.376 41.784 42.059 0.169 0.000 0.908 928 L HN 0.465 nan 8.230 nan 0.000 0.437 935 R N 0.870 121.372 120.500 0.004 0.000 2.167 935 R HA 0.378 4.717 4.340 -0.001 0.000 0.195 935 R C 1.784 178.087 176.300 0.005 0.000 1.027 935 R CA 0.513 56.612 56.100 -0.002 0.000 1.114 935 R CB -0.637 29.656 30.300 -0.011 0.000 1.075 935 R HN 0.323 nan 8.270 nan 0.000 0.538 936 L N 1.380 122.608 121.223 0.009 0.000 2.201 936 L HA -0.034 4.305 4.340 -0.001 0.000 0.212 936 L C 2.601 179.481 176.870 0.017 0.000 1.105 936 L CA 0.703 55.551 54.840 0.012 0.000 0.775 936 L CB -0.869 41.197 42.059 0.013 0.000 0.913 936 L HN -0.023 nan 8.230 nan 0.000 0.440 937 V N 0.723 120.649 119.914 0.020 0.000 2.278 937 V HA -0.252 3.868 4.120 -0.001 0.000 0.251 937 V C 1.484 177.592 176.094 0.024 0.000 1.062 937 V CA 1.577 63.893 62.300 0.026 0.000 1.038 937 V CB -0.256 31.584 31.823 0.029 0.000 0.646 937 V HN 0.409 nan 8.190 nan 0.000 0.447 938 R N 0.397 120.908 120.500 0.019 0.000 2.340 938 R HA 0.460 4.800 4.340 -0.001 0.000 0.300 938 R C 0.730 177.040 176.300 0.016 0.000 1.069 938 R CA 0.464 56.574 56.100 0.017 0.000 0.984 938 R CB 0.931 31.239 30.300 0.013 0.000 1.003 938 R HN 0.562 nan 8.270 nan 0.000 0.459 939 G N 0.881 109.691 108.800 0.017 0.000 3.014 939 G HA2 0.261 4.220 3.960 -0.001 0.000 0.239 939 G HA3 0.261 4.220 3.960 -0.001 0.000 0.239 939 G C 0.147 175.056 174.900 0.015 0.000 1.249 939 G CA 0.299 45.409 45.100 0.017 0.000 0.867 939 G HN 0.714 nan 8.290 nan 0.000 0.607 940 G N -1.523 107.287 108.800 0.016 0.000 2.450 940 G HA2 0.513 4.472 3.960 -0.001 0.000 0.273 940 G HA3 0.513 4.472 3.960 -0.001 0.000 0.273 940 G C -1.005 173.905 174.900 0.018 0.000 1.221 940 G CA 0.163 45.272 45.100 0.015 0.000 0.900 940 G HN 1.160 nan 8.290 nan 0.000 0.483 941 S N 0.113 115.823 115.700 0.016 0.000 2.594 941 S HA 0.549 5.019 4.470 -0.001 0.000 0.322 941 S C 0.873 175.485 174.600 0.020 0.000 1.085 941 S CA 0.575 58.786 58.200 0.019 0.000 1.116 941 S CB 0.904 64.113 63.200 0.016 0.000 0.979 941 S HN 2.446 nan 8.310 nan 0.000 0.465 942 G N 2.844 111.660 108.800 0.026 0.000 2.179 942 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.260 942 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.260 942 G C 0.881 175.795 174.900 0.024 0.000 0.977 942 G CA 0.631 45.747 45.100 0.027 0.000 0.641 942 G HN 0.629 nan 8.290 nan 0.000 0.533 943 T N 1.248 115.814 114.554 0.020 0.000 2.544 943 T HA -0.180 4.169 4.350 -0.001 0.000 0.264 943 T C 2.116 176.826 174.700 0.016 0.000 1.096 943 T CA 2.015 64.125 62.100 0.016 0.000 1.181 943 T CB -0.379 68.498 68.868 0.015 0.000 0.864 943 T HN 0.624 nan 8.240 nan 0.000 0.415 944 K N 0.691 121.100 120.400 0.016 0.000 2.370 944 K HA -0.254 4.066 4.320 -0.001 0.000 0.204 944 K C 2.270 178.875 176.600 0.008 0.000 1.038 944 K CA 1.637 57.929 56.287 0.009 0.000 0.936 944 K CB -0.205 32.298 32.500 0.006 0.000 0.737 944 K HN 0.381 nan 8.250 nan 0.000 0.493 945 R N -1.203 119.306 120.500 0.016 0.000 2.140 945 R HA 0.223 4.563 4.340 -0.001 0.000 0.200 945 R C 2.255 178.562 176.300 0.013 0.000 1.069 945 R CA 0.606 56.715 56.100 0.017 0.000 1.088 945 R CB -0.115 30.201 30.300 0.028 0.000 1.012 945 R HN 0.136 nan 8.270 nan 0.000 0.500 946 A N 1.847 124.676 122.820 0.015 0.000 2.131 946 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 946 A C 1.917 179.507 177.584 0.010 0.000 1.158 946 A CA 0.936 52.980 52.037 0.012 0.000 0.665 946 A CB -0.390 18.618 19.000 0.012 0.000 0.795 946 A HN 0.238 nan 8.150 nan 0.000 0.460 947 L N -0.611 120.617 121.223 0.009 0.000 2.130 947 L HA 0.063 4.403 4.340 -0.001 0.000 0.200 947 L C 2.112 178.983 176.870 0.002 0.000 1.075 947 L CA 1.356 56.201 54.840 0.008 0.000 0.768 947 L CB -0.511 41.553 42.059 0.009 0.000 0.933 947 L HN 0.379 nan 8.230 nan 0.000 0.451 948 I N 0.098 120.665 120.570 -0.005 0.000 2.657 948 I HA -0.288 3.881 4.170 -0.001 0.000 0.261 948 I C 2.459 178.566 176.117 -0.016 0.000 1.212 948 I CA 0.851 62.139 61.300 -0.019 0.000 1.453 948 I CB -0.169 37.811 38.000 -0.033 0.000 1.092 948 I HN 0.516 nan 8.210 nan 0.000 0.452 949 Q N -0.444 119.354 119.800 -0.004 0.000 2.226 949 Q HA -0.106 4.233 4.340 -0.001 0.000 0.199 949 Q C 2.410 178.413 176.000 0.004 0.000 0.945 949 Q CA 0.949 56.753 55.803 0.002 0.000 0.861 949 Q CB -0.192 28.551 28.738 0.008 0.000 0.953 949 Q HN 0.535 nan 8.270 nan 0.000 0.490 950 C N 0.721 120.025 119.300 0.007 0.000 2.413 950 C HA -0.134 4.326 4.460 -0.001 0.000 0.276 950 C C 2.764 177.760 174.990 0.010 0.000 1.248 950 C CA 1.274 60.299 59.018 0.012 0.000 1.742 950 C CB -0.983 26.766 27.740 0.015 0.000 2.017 950 C HN 0.579 nan 8.230 nan 0.000 0.481 951 A N 0.284 123.106 122.820 0.004 0.000 1.845 951 A HA -0.208 4.111 4.320 -0.001 0.000 0.215 951 A C 2.252 179.832 177.584 -0.006 0.000 1.195 951 A CA 2.037 54.074 52.037 -0.001 0.000 0.616 951 A CB -0.923 18.072 19.000 -0.008 0.000 0.832 951 A HN 0.740 nan 8.150 nan 0.000 0.443 952 K N -0.669 119.724 120.400 -0.011 0.000 2.089 952 K HA -0.281 4.038 4.320 -0.001 0.000 0.210 952 K C 1.434 178.032 176.600 -0.004 0.000 1.048 952 K CA 2.097 58.377 56.287 -0.011 0.000 0.926 952 K CB -0.310 32.184 32.500 -0.010 0.000 0.714 952 K HN 0.383 nan 8.250 nan 0.000 0.448 953 D N 0.597 120.999 120.400 0.002 0.000 2.117 953 D HA -0.112 4.528 4.640 -0.001 0.000 0.197 953 D C 1.964 178.268 176.300 0.007 0.000 0.987 953 D CA 1.117 55.121 54.000 0.006 0.000 0.829 953 D CB -0.048 40.758 40.800 0.011 0.000 0.961 953 D HN 0.297 nan 8.370 nan 0.000 0.460 954 I N 0.823 121.398 120.570 0.009 0.000 2.202 954 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 954 I C 2.381 178.499 176.117 0.002 0.000 1.091 954 I CA 0.918 62.225 61.300 0.011 0.000 1.368 954 I CB -0.383 37.626 38.000 0.015 0.000 1.058 954 I HN -0.076 nan 8.210 nan 0.000 0.410 955 A N 0.636 123.452 122.820 -0.006 0.000 2.019 955 A HA -0.252 4.067 4.320 -0.001 0.000 0.219 955 A C 2.312 179.888 177.584 -0.013 0.000 1.164 955 A CA 1.783 53.811 52.037 -0.015 0.000 0.644 955 A CB -0.434 18.552 19.000 -0.023 0.000 0.805 955 A HN 0.316 nan 8.150 nan 0.000 0.449 956 K N -0.466 119.929 120.400 -0.008 0.000 2.103 956 K HA 0.102 4.421 4.320 -0.001 0.000 0.204 956 K C 2.091 178.686 176.600 -0.008 0.000 1.052 956 K CA 1.026 57.308 56.287 -0.008 0.000 0.945 956 K CB -0.265 32.232 32.500 -0.005 0.000 0.722 956 K HN 0.359 nan 8.250 nan 0.000 0.443 957 A N -0.028 122.790 122.820 -0.004 0.000 1.898 957 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 957 A C 2.180 179.760 177.584 -0.005 0.000 1.181 957 A CA 1.817 53.852 52.037 -0.003 0.000 0.620 957 A CB -0.836 18.168 19.000 0.006 0.000 0.819 957 A HN 0.291 nan 8.150 nan 0.000 0.442 958 S N -0.062 115.636 115.700 -0.005 0.000 2.380 958 S HA -0.206 4.263 4.470 -0.001 0.000 0.229 958 S C 1.587 176.179 174.600 -0.013 0.000 1.043 958 S CA 1.769 59.965 58.200 -0.008 0.000 1.038 958 S CB -0.463 62.729 63.200 -0.013 0.000 0.872 958 S HN 0.597 nan 8.310 nan 0.000 0.456 959 D N 0.463 120.854 120.400 -0.016 0.000 2.264 959 D HA -0.023 4.616 4.640 -0.001 0.000 0.208 959 D C 1.953 178.242 176.300 -0.019 0.000 0.966 959 D CA 0.581 54.570 54.000 -0.019 0.000 0.864 959 D CB -0.154 40.634 40.800 -0.019 0.000 0.933 959 D HN 0.501 nan 8.370 nan 0.000 0.499 960 E N -0.008 120.181 120.200 -0.018 0.000 2.122 960 E HA -0.079 4.270 4.350 -0.001 0.000 0.190 960 E C 2.160 178.746 176.600 -0.022 0.000 0.977 960 E CA 0.371 56.757 56.400 -0.022 0.000 0.820 960 E CB 0.526 30.211 29.700 -0.024 0.000 0.770 960 E HN 0.135 nan 8.360 nan 0.000 0.462 961 V N -0.084 119.820 119.914 -0.017 0.000 2.270 961 V HA -0.200 3.919 4.120 -0.001 0.000 0.245 961 V C 2.339 178.426 176.094 -0.011 0.000 1.043 961 V CA 2.005 64.298 62.300 -0.012 0.000 1.014 961 V CB -1.368 30.453 31.823 -0.004 0.000 0.645 961 V HN 0.129 nan 8.190 nan 0.000 0.447 962 T N -0.020 114.526 114.554 -0.013 0.000 2.699 962 T HA -0.259 4.090 4.350 -0.001 0.000 0.268 962 T C 2.094 176.784 174.700 -0.017 0.000 1.036 962 T CA 2.188 64.278 62.100 -0.015 0.000 1.147 962 T CB -0.388 68.469 68.868 -0.019 0.000 0.862 962 T HN 0.396 nan 8.240 nan 0.000 0.446 963 R N 0.626 121.114 120.500 -0.019 0.000 2.075 963 R HA 0.030 4.369 4.340 -0.001 0.000 0.232 963 R C 2.354 178.642 176.300 -0.021 0.000 1.126 963 R CA 1.071 57.158 56.100 -0.021 0.000 0.963 963 R CB -0.420 29.866 30.300 -0.024 0.000 0.858 963 R HN 0.416 nan 8.270 nan 0.000 0.435 964 L N -0.101 121.109 121.223 -0.021 0.000 2.131 964 L HA 0.013 4.353 4.340 -0.001 0.000 0.206 964 L C 2.705 179.572 176.870 -0.006 0.000 1.087 964 L CA 1.022 55.849 54.840 -0.021 0.000 0.767 964 L CB -0.529 41.511 42.059 -0.032 0.000 0.917 964 L HN 0.152 nan 8.230 nan 0.000 0.441 965 A N 0.144 122.963 122.820 -0.002 0.000 1.930 965 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 965 A C 2.343 179.925 177.584 -0.004 0.000 1.175 965 A CA 1.391 53.431 52.037 0.005 0.000 0.627 965 A CB -0.297 18.704 19.000 0.001 0.000 0.815 965 A HN 0.271 nan 8.150 nan 0.000 0.443 966 K N -0.720 119.674 120.400 -0.009 0.000 2.211 966 K HA -0.093 4.226 4.320 -0.001 0.000 0.203 966 K C 1.893 178.487 176.600 -0.010 0.000 1.050 966 K CA 0.980 57.259 56.287 -0.012 0.000 0.945 966 K CB 0.004 32.495 32.500 -0.015 0.000 0.732 966 K HN 0.373 nan 8.250 nan 0.000 0.451 967 E N 0.553 120.749 120.200 -0.008 0.000 2.021 967 E HA -0.102 4.248 4.350 -0.001 0.000 0.189 967 E C 2.056 178.658 176.600 0.003 0.000 0.980 967 E CA 0.831 57.228 56.400 -0.005 0.000 0.803 967 E CB -0.127 29.568 29.700 -0.008 0.000 0.766 967 E HN -0.035 nan 8.360 nan 0.000 0.449 968 V N 1.857 121.778 119.914 0.011 0.000 2.453 968 V HA -0.305 3.814 4.120 -0.001 0.000 0.252 968 V C 2.499 178.594 176.094 0.002 0.000 1.068 968 V CA 1.902 64.215 62.300 0.022 0.000 1.070 968 V CB -1.100 30.750 31.823 0.044 0.000 0.664 968 V HN 0.250 nan 8.190 nan 0.000 0.461 969 A N -0.392 122.424 122.820 -0.006 0.000 1.902 969 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 969 A C 2.307 179.881 177.584 -0.016 0.000 1.181 969 A CA 1.586 53.613 52.037 -0.016 0.000 0.623 969 A CB -0.406 18.584 19.000 -0.018 0.000 0.818 969 A HN 0.388 nan 8.150 nan 0.000 0.443 970 K N 0.202 120.596 120.400 -0.010 0.000 2.097 970 K HA -0.121 4.198 4.320 -0.001 0.000 0.205 970 K C 1.900 178.495 176.600 -0.008 0.000 1.050 970 K CA 1.602 57.883 56.287 -0.010 0.000 0.938 970 K CB -0.476 32.019 32.500 -0.007 0.000 0.718 970 K HN 0.790 nan 8.250 nan 0.000 0.442 971 Q N -0.595 119.203 119.800 -0.003 0.000 2.482 971 Q HA 0.027 4.367 4.340 -0.001 0.000 0.209 971 Q C 0.530 176.523 176.000 -0.013 0.000 0.961 971 Q CA -0.087 55.715 55.803 -0.001 0.000 0.945 971 Q CB -0.045 28.701 28.738 0.014 0.000 1.012 971 Q HN 0.053 nan 8.270 nan 0.000 0.515 972 C N 2.131 121.417 119.300 -0.022 0.000 2.415 972 C HA 0.164 4.623 4.460 -0.001 0.000 0.369 972 C C 2.000 176.962 174.990 -0.046 0.000 1.279 972 C CA 0.052 59.046 59.018 -0.039 0.000 1.886 972 C CB 0.414 28.127 27.740 -0.045 0.000 2.468 972 C HN 0.602 nan 8.230 nan 0.000 0.553 973 T N -0.183 114.334 114.554 -0.062 0.000 3.100 973 T HA 0.017 4.366 4.350 -0.001 0.000 0.253 973 T C 0.385 175.033 174.700 -0.086 0.000 1.118 973 T CA 0.383 62.443 62.100 -0.067 0.000 1.058 973 T CB -0.187 68.635 68.868 -0.077 0.000 0.953 973 T HN 0.771 nan 8.240 nan 0.000 0.515 974 D N 1.549 121.891 120.400 -0.097 0.000 2.380 974 D HA 0.195 4.834 4.640 -0.001 0.000 0.230 974 D C 0.852 177.113 176.300 -0.064 0.000 1.154 974 D CA -0.272 53.668 54.000 -0.100 0.000 0.859 974 D CB 1.128 41.855 40.800 -0.121 0.000 1.045 974 D HN 0.232 nan 8.370 nan 0.000 0.495 975 K N 2.879 123.252 120.400 -0.046 0.000 2.160 975 K HA -0.180 4.139 4.320 -0.001 0.000 0.206 975 K C 1.922 178.502 176.600 -0.033 0.000 1.047 975 K CA 0.744 57.012 56.287 -0.032 0.000 0.930 975 K CB 0.309 32.798 32.500 -0.018 0.000 0.720 975 K HN 0.357 nan 8.250 nan 0.000 0.450 976 R N 1.096 121.574 120.500 -0.036 0.000 2.061 976 R HA -0.056 4.283 4.340 -0.001 0.000 0.230 976 R C 2.408 178.681 176.300 -0.046 0.000 1.140 976 R CA 1.275 57.353 56.100 -0.037 0.000 0.940 976 R CB -0.221 30.058 30.300 -0.035 0.000 0.839 976 R HN 0.131 nan 8.270 nan 0.000 0.429 977 I N 0.719 121.255 120.570 -0.056 0.000 2.127 977 I HA -0.352 3.817 4.170 -0.001 0.000 0.241 977 I C 2.677 178.760 176.117 -0.056 0.000 1.075 977 I CA 1.793 63.055 61.300 -0.064 0.000 1.334 977 I CB -0.660 37.292 38.000 -0.079 0.000 1.040 977 I HN 0.274 nan 8.210 nan 0.000 0.405 978 R N 1.030 121.500 120.500 -0.051 0.000 2.139 978 R HA -0.177 4.163 4.340 -0.001 0.000 0.243 978 R C 2.006 178.285 176.300 -0.036 0.000 1.145 978 R CA 2.218 58.293 56.100 -0.041 0.000 0.976 978 R CB -0.826 29.452 30.300 -0.036 0.000 0.866 978 R HN 0.187 nan 8.270 nan 0.000 0.449 979 T N 0.633 115.165 114.554 -0.036 0.000 2.951 979 T HA 0.014 4.364 4.350 -0.001 0.000 0.268 979 T C 1.152 175.832 174.700 -0.034 0.000 1.073 979 T CA 1.221 63.302 62.100 -0.031 0.000 1.134 979 T CB -0.164 68.687 68.868 -0.028 0.000 0.884 979 T HN 0.375 nan 8.240 nan 0.000 0.479 980 N N 1.115 119.790 118.700 -0.041 0.000 2.173 980 N HA 0.133 4.872 4.740 -0.001 0.000 0.184 980 N C 1.815 177.300 175.510 -0.043 0.000 1.025 980 N CA 0.472 53.495 53.050 -0.045 0.000 0.852 980 N CB -0.581 37.873 38.487 -0.055 0.000 0.998 980 N HN 0.252 nan 8.380 nan 0.000 0.427 981 L N 0.972 122.168 121.223 -0.045 0.000 1.971 981 L HA -0.167 4.172 4.340 -0.001 0.000 0.215 981 L C 2.031 178.883 176.870 -0.030 0.000 1.072 981 L CA 1.298 56.114 54.840 -0.039 0.000 0.758 981 L CB -0.506 41.529 42.059 -0.039 0.000 0.889 981 L HN 0.187 nan 8.230 nan 0.000 0.433 982 L N -0.752 120.454 121.223 -0.028 0.000 2.129 982 L HA -0.319 4.021 4.340 -0.001 0.000 0.212 982 L C 2.565 179.420 176.870 -0.025 0.000 1.087 982 L CA 1.393 56.219 54.840 -0.025 0.000 0.757 982 L CB -0.560 41.485 42.059 -0.024 0.000 0.896 982 L HN 0.478 nan 8.230 nan 0.000 0.434 983 Q N -0.178 119.606 119.800 -0.027 0.000 2.124 983 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 983 Q C 2.107 178.093 176.000 -0.023 0.000 0.977 983 Q CA 1.541 57.328 55.803 -0.025 0.000 0.850 983 Q CB 0.140 28.861 28.738 -0.028 0.000 0.901 983 Q HN 0.383 nan 8.270 nan 0.000 0.429 984 V N -0.668 119.231 119.914 -0.024 0.000 3.129 984 V HA -0.193 3.926 4.120 -0.001 0.000 0.259 984 V C 2.001 178.085 176.094 -0.017 0.000 1.116 984 V CA 0.843 63.131 62.300 -0.019 0.000 1.127 984 V CB -0.194 31.618 31.823 -0.019 0.000 0.742 984 V HN 0.532 nan 8.190 nan 0.000 0.474 985 C N 1.203 120.492 119.300 -0.020 0.000 2.518 985 C HA -0.090 4.369 4.460 -0.001 0.000 0.279 985 C C 2.755 177.730 174.990 -0.024 0.000 1.279 985 C CA 0.978 59.984 59.018 -0.020 0.000 1.703 985 C CB -0.903 26.825 27.740 -0.020 0.000 2.072 985 C HN 0.820 nan 8.230 nan 0.000 0.487 986 E N 1.653 121.838 120.200 -0.026 0.000 2.284 986 E HA -0.252 4.097 4.350 -0.001 0.000 0.200 986 E C 1.878 178.456 176.600 -0.037 0.000 1.008 986 E CA 1.432 57.813 56.400 -0.031 0.000 0.829 986 E CB -0.385 29.297 29.700 -0.030 0.000 0.744 986 E HN 0.619 nan 8.360 nan 0.000 0.491 987 R N 0.320 120.801 120.500 -0.032 0.000 2.080 987 R HA 0.091 4.430 4.340 -0.001 0.000 0.222 987 R C 2.472 178.751 176.300 -0.035 0.000 1.107 987 R CA 1.115 57.195 56.100 -0.034 0.000 0.980 987 R CB -0.494 29.794 30.300 -0.019 0.000 0.879 987 R HN 0.188 nan 8.270 nan 0.000 0.439 988 I N 1.619 122.174 120.570 -0.026 0.000 2.068 988 I HA -0.276 3.893 4.170 -0.001 0.000 0.238 988 I C -0.820 175.275 176.117 -0.037 0.000 1.046 988 I CA 1.877 63.163 61.300 -0.024 0.000 1.306 988 I CB -1.161 36.829 38.000 -0.017 0.000 1.023 988 I HN 0.060 nan 8.210 nan 0.000 0.399 989 P HA -0.213 nan 4.420 nan 0.000 0.216 989 P C 1.680 178.936 177.300 -0.074 0.000 1.167 989 P CA 2.238 65.306 63.100 -0.053 0.000 0.914 989 P CB -0.271 31.399 31.700 -0.050 0.000 0.793 990 T N -0.149 114.354 114.554 -0.085 0.000 2.607 990 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 990 T C 1.778 176.398 174.700 -0.133 0.000 1.049 990 T CA 1.568 63.595 62.100 -0.121 0.000 1.162 990 T CB -1.125 67.664 68.868 -0.131 0.000 0.863 990 T HN 0.069 nan 8.240 nan 0.000 0.424 991 I N 1.862 122.378 120.570 -0.089 0.000 2.091 991 I HA -0.249 3.921 4.170 -0.001 0.000 0.239 991 I C 2.849 178.925 176.117 -0.069 0.000 1.061 991 I CA 1.790 63.054 61.300 -0.059 0.000 1.317 991 I CB -0.803 37.187 38.000 -0.016 0.000 1.031 991 I HN 0.333 nan 8.210 nan 0.000 0.401 992 S N 0.004 115.668 115.700 -0.059 0.000 2.383 992 S HA -0.180 4.289 4.470 -0.001 0.000 0.229 992 S C 1.936 176.484 174.600 -0.087 0.000 1.030 992 S CA 1.844 60.011 58.200 -0.055 0.000 1.002 992 S CB -1.035 62.141 63.200 -0.040 0.000 0.829 992 S HN 0.428 nan 8.310 nan 0.000 0.467 993 T N 3.491 117.973 114.554 -0.120 0.000 2.595 993 T HA -0.185 4.164 4.350 -0.001 0.000 0.264 993 T C 2.092 176.651 174.700 -0.234 0.000 1.058 993 T CA 1.847 63.853 62.100 -0.156 0.000 1.166 993 T CB -0.616 68.153 68.868 -0.166 0.000 0.863 993 T HN 0.622 nan 8.240 nan 0.000 0.415 994 Q N 0.875 120.456 119.800 -0.365 0.000 2.152 994 Q HA -0.088 4.251 4.340 -0.001 0.000 0.206 994 Q C 2.361 178.201 176.000 -0.267 0.000 0.985 994 Q CA 0.971 56.415 55.803 -0.599 0.000 0.863 994 Q CB -0.609 27.678 28.738 -0.751 0.000 0.904 994 Q HN 0.327 nan 8.270 nan 0.000 0.422 995 L N 1.383 122.528 121.223 -0.129 0.000 2.129 995 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 995 L C 1.921 178.768 176.870 -0.038 0.000 1.087 995 L CA 1.875 56.693 54.840 -0.036 0.000 0.757 995 L CB -0.417 41.631 42.059 -0.017 0.000 0.896 995 L HN 0.230 nan 8.230 nan 0.000 0.434 996 K N -0.229 120.127 120.400 -0.072 0.000 1.975 996 K HA -0.099 4.220 4.320 -0.001 0.000 0.210 996 K C 2.058 178.631 176.600 -0.046 0.000 1.041 996 K CA 1.384 57.637 56.287 -0.056 0.000 0.942 996 K CB -0.181 32.278 32.500 -0.068 0.000 0.729 996 K HN 0.254 nan 8.250 nan 0.000 0.439 997 I N 1.943 122.468 120.570 -0.075 0.000 2.227 997 I HA -0.366 3.803 4.170 -0.001 0.000 0.250 997 I C 2.391 178.547 176.117 0.064 0.000 1.087 997 I CA 1.520 62.809 61.300 -0.018 0.000 1.352 997 I CB -0.685 37.279 38.000 -0.060 0.000 1.043 997 I HN 0.244 nan 8.210 nan 0.000 0.425 998 L N 0.509 121.770 121.223 0.062 0.000 1.988 998 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 998 L C 2.955 179.876 176.870 0.085 0.000 1.071 998 L CA 1.926 56.850 54.840 0.140 0.000 0.744 998 L CB -0.743 41.415 42.059 0.165 0.000 0.893 998 L HN 0.382 nan 8.230 nan 0.000 0.433 999 S N -0.945 114.785 115.700 0.049 0.000 2.387 999 S HA -0.238 4.231 4.470 -0.001 0.000 0.230 999 S C 1.901 176.513 174.600 0.020 0.000 1.035 999 S CA 2.107 60.326 58.200 0.032 0.000 1.014 999 S CB -0.693 62.515 63.200 0.015 0.000 0.836 999 S HN 0.385 nan 8.310 nan 0.000 0.466 1000 T N 1.197 115.758 114.554 0.011 0.000 2.881 1000 T HA 0.003 4.353 4.350 -0.001 0.000 0.270 1000 T C 1.732 176.438 174.700 0.010 0.000 1.068 1000 T CA 1.217 63.316 62.100 -0.003 0.000 1.131 1000 T CB -0.438 68.421 68.868 -0.015 0.000 0.871 1000 T HN 0.298 nan 8.240 nan 0.000 0.479 1001 V N 0.777 120.713 119.914 0.036 0.000 2.273 1001 V HA -0.065 4.055 4.120 -0.001 0.000 0.242 1001 V C 2.550 178.661 176.094 0.028 0.000 1.035 1001 V CA 1.415 63.739 62.300 0.039 0.000 1.013 1001 V CB -0.331 31.534 31.823 0.069 0.000 0.652 1001 V HN 0.206 nan 8.190 nan 0.000 0.452 1002 K N 1.018 121.441 120.400 0.038 0.000 2.059 1002 K HA -0.190 4.129 4.320 -0.001 0.000 0.212 1002 K C 2.068 178.676 176.600 0.013 0.000 1.050 1002 K CA 2.068 58.374 56.287 0.031 0.000 0.927 1002 K CB -1.103 31.420 32.500 0.040 0.000 0.714 1002 K HN 0.444 nan 8.250 nan 0.000 0.447 1003 A N -0.026 122.797 122.820 0.005 0.000 1.986 1003 A HA -0.136 4.183 4.320 -0.001 0.000 0.220 1003 A C 1.719 179.285 177.584 -0.030 0.000 1.171 1003 A CA 1.940 53.971 52.037 -0.010 0.000 0.640 1003 A CB -0.915 18.075 19.000 -0.017 0.000 0.811 1003 A HN 0.423 nan 8.150 nan 0.000 0.451 1007 G N 0.490 109.296 108.800 0.010 0.000 2.484 1007 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.218 1007 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.218 1007 G C 0.751 175.675 174.900 0.040 0.000 1.130 1007 G CA 0.277 45.394 45.100 0.027 0.000 0.784 1007 G HN 0.260 nan 8.290 nan 0.000 0.543 1008 R N 1.101 121.620 120.500 0.031 0.000 3.050 1008 R HA 0.259 4.598 4.340 -0.001 0.000 0.275 1008 R C -0.296 176.020 176.300 0.027 0.000 1.373 1008 R CA -0.181 55.939 56.100 0.034 0.000 1.612 1008 R CB 0.443 30.763 30.300 0.034 0.000 1.218 1008 R HN -0.012 nan 8.270 nan 0.000 0.621 1009 T N 0.738 115.307 114.554 0.026 0.000 4.729 1009 T HA 0.055 4.404 4.350 -0.001 0.000 0.219 1009 T C 0.577 175.290 174.700 0.021 0.000 0.849 1009 T CA 0.075 62.188 62.100 0.022 0.000 0.968 1009 T CB -0.357 68.524 68.868 0.021 0.000 1.436 1009 T HN 0.377 nan 8.240 nan 0.000 1.056 1010 N N 1.273 119.985 118.700 0.021 0.000 3.048 1010 N HA 0.306 5.045 4.740 -0.001 0.000 0.225 1010 N C 0.667 176.187 175.510 0.017 0.000 1.103 1010 N CA 0.014 53.076 53.050 0.020 0.000 1.182 1010 N CB 0.435 38.935 38.487 0.022 0.000 1.553 1010 N HN 0.376 nan 8.380 nan 0.000 0.584 1011 I N -0.033 120.548 120.570 0.017 0.000 2.924 1011 I HA 0.438 4.607 4.170 -0.001 0.000 0.316 1011 I C 0.162 176.289 176.117 0.016 0.000 1.014 1011 I CA -0.698 60.611 61.300 0.016 0.000 1.106 1011 I CB 1.652 39.661 38.000 0.015 0.000 1.311 1011 I HN 0.000 nan 8.210 nan 0.000 0.502 1012 S N 1.439 117.148 115.700 0.015 0.000 2.500 1012 S HA 0.544 5.013 4.470 -0.001 0.000 0.301 1012 S C -1.201 173.408 174.600 0.015 0.000 1.092 1012 S CA -0.625 57.585 58.200 0.016 0.000 1.030 1012 S CB 1.071 64.281 63.200 0.016 0.000 1.031 1012 S HN 0.774 nan 8.310 nan 0.000 0.483 1013 D N 2.568 122.978 120.400 0.017 0.000 2.636 1013 D HA 0.292 4.931 4.640 -0.001 0.000 0.275 1013 D C 0.421 176.731 176.300 0.018 0.000 1.130 1013 D CA -0.613 53.396 54.000 0.015 0.000 1.031 1013 D CB 0.209 41.017 40.800 0.013 0.000 1.451 1013 D HN 0.550 nan 8.370 nan 0.000 0.505 1014 E N -0.129 120.080 120.200 0.016 0.000 2.153 1014 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 1014 E C 1.225 177.838 176.600 0.021 0.000 0.988 1014 E CA 0.988 57.399 56.400 0.018 0.000 0.811 1014 E CB 0.188 29.896 29.700 0.013 0.000 0.746 1014 E HN 0.385 nan 8.360 nan 0.000 0.466 1015 E N 0.990 121.201 120.200 0.018 0.000 2.001 1015 E HA -0.166 4.184 4.350 -0.001 0.000 0.195 1015 E C 2.322 178.939 176.600 0.029 0.000 1.002 1015 E CA 1.460 57.872 56.400 0.020 0.000 0.819 1015 E CB -0.651 29.058 29.700 0.014 0.000 0.769 1015 E HN 0.224 nan 8.360 nan 0.000 0.454 1016 S N 1.397 117.114 115.700 0.028 0.000 2.374 1016 S HA -0.250 4.220 4.470 -0.001 0.000 0.227 1016 S C 1.981 176.605 174.600 0.040 0.000 1.037 1016 S CA 1.964 60.183 58.200 0.032 0.000 1.024 1016 S CB -0.428 62.788 63.200 0.027 0.000 0.861 1016 S HN 0.436 nan 8.310 nan 0.000 0.456 1017 E N 1.513 121.734 120.200 0.036 0.000 2.031 1017 E HA -0.298 4.051 4.350 -0.001 0.000 0.193 1017 E C 2.451 179.084 176.600 0.055 0.000 0.994 1017 E CA 1.364 57.788 56.400 0.040 0.000 0.800 1017 E CB -0.788 28.932 29.700 0.033 0.000 0.752 1017 E HN 0.798 nan 8.360 nan 0.000 0.447 1018 Q N 1.744 121.578 119.800 0.057 0.000 2.020 1018 Q HA -0.195 4.145 4.340 -0.001 0.000 0.202 1018 Q C 2.308 178.373 176.000 0.107 0.000 0.982 1018 Q CA 1.894 57.744 55.803 0.079 0.000 0.838 1018 Q CB -0.394 28.382 28.738 0.062 0.000 0.899 1018 Q HN 0.328 nan 8.270 nan 0.000 0.423 1019 A N 0.845 123.719 122.820 0.090 0.000 1.908 1019 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 1019 A C 2.332 179.992 177.584 0.127 0.000 1.181 1019 A CA 2.156 54.261 52.037 0.113 0.000 0.627 1019 A CB -1.211 17.840 19.000 0.085 0.000 0.818 1019 A HN 0.564 nan 8.150 nan 0.000 0.445 1020 T N -0.223 114.388 114.554 0.095 0.000 2.788 1020 T HA -0.053 4.296 4.350 -0.001 0.000 0.268 1020 T C 1.024 175.783 174.700 0.098 0.000 1.044 1020 T CA 1.130 63.281 62.100 0.085 0.000 1.139 1020 T CB -0.191 68.712 68.868 0.059 0.000 0.867 1020 T HN 0.673 nan 8.240 nan 0.000 0.454 1024 V N 0.579 120.544 119.914 0.085 0.000 2.343 1024 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 1024 V C 2.387 178.483 176.094 0.004 0.000 1.051 1024 V CA 2.339 64.657 62.300 0.031 0.000 1.036 1024 V CB -1.025 30.798 31.823 0.000 0.000 0.654 1024 V HN 0.572 nan 8.190 nan 0.000 0.451 1025 H N 0.894 119.840 119.070 -0.206 0.000 2.319 1025 H HA -0.131 4.424 4.556 -0.001 0.000 0.299 1025 H C 2.348 177.481 175.328 -0.325 0.000 1.092 1025 H CA 1.905 57.656 56.048 -0.495 0.000 1.302 1025 H CB -0.396 28.603 29.762 -1.271 0.000 1.373 1025 H HN 0.386 nan 8.280 nan 0.000 0.497 1026 N N 0.048 118.781 118.700 0.056 0.000 2.120 1026 N HA -0.109 4.630 4.740 -0.001 0.000 0.188 1026 N C 1.838 177.393 175.510 0.075 0.000 1.024 1026 N CA 1.104 54.234 53.050 0.134 0.000 0.852 1026 N CB -0.111 38.503 38.487 0.211 0.000 1.003 1026 N HN 0.393 nan 8.380 nan 0.000 0.424 1027 A N 0.926 123.785 122.820 0.065 0.000 2.121 1027 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 1027 A C 2.055 179.663 177.584 0.040 0.000 1.154 1027 A CA 0.929 52.995 52.037 0.049 0.000 0.679 1027 A CB -0.138 18.891 19.000 0.048 0.000 0.795 1027 A HN 0.373 nan 8.150 nan 0.000 0.458 1028 Q N -0.479 119.343 119.800 0.036 0.000 2.061 1028 Q HA -0.086 4.253 4.340 -0.001 0.000 0.195 1028 Q C 1.597 177.623 176.000 0.044 0.000 0.967 1028 Q CA 1.079 56.899 55.803 0.029 0.000 0.829 1028 Q CB -0.237 28.498 28.738 -0.005 0.000 0.900 1028 Q HN 0.592 nan 8.270 nan 0.000 0.450 1029 N N 0.918 119.652 118.700 0.056 0.000 2.149 1029 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 1029 N C 0.892 176.427 175.510 0.041 0.000 1.019 1029 N CA 0.588 53.668 53.050 0.050 0.000 0.857 1029 N CB -0.420 38.093 38.487 0.044 0.000 0.997 1029 N HN 0.088 nan 8.380 nan 0.000 0.426 1033 S N 0.098 115.815 115.700 0.029 0.000 2.440 1033 S HA -0.138 4.331 4.470 -0.001 0.000 0.240 1033 S C 1.577 176.188 174.600 0.017 0.000 1.014 1033 S CA 1.552 59.763 58.200 0.018 0.000 0.980 1033 S CB -0.182 63.026 63.200 0.013 0.000 0.775 1033 S HN 0.308 nan 8.310 nan 0.000 0.499 1034 V N 1.303 121.231 119.914 0.024 0.000 2.446 1034 V HA -0.086 4.033 4.120 -0.001 0.000 0.244 1034 V C 2.101 178.216 176.094 0.035 0.000 1.039 1034 V CA 1.351 63.667 62.300 0.027 0.000 1.045 1034 V CB -0.463 31.377 31.823 0.028 0.000 0.681 1034 V HN 0.384 nan 8.190 nan 0.000 0.459 1035 K N 0.485 120.909 120.400 0.039 0.000 2.026 1035 K HA -0.215 4.105 4.320 -0.001 0.000 0.208 1035 K C 2.138 178.759 176.600 0.036 0.000 1.048 1035 K CA 1.809 58.126 56.287 0.050 0.000 0.929 1035 K CB -0.228 32.304 32.500 0.053 0.000 0.713 1035 K HN 0.446 nan 8.250 nan 0.000 0.439 1036 E N 0.129 120.342 120.200 0.021 0.000 2.038 1036 E HA -0.165 4.184 4.350 -0.001 0.000 0.195 1036 E C 1.939 178.531 176.600 -0.013 0.000 1.000 1036 E CA 1.905 58.303 56.400 -0.002 0.000 0.803 1036 E CB -0.028 29.667 29.700 -0.008 0.000 0.750 1036 E HN 0.264 nan 8.360 nan 0.000 0.448 1037 T N 0.096 114.649 114.554 -0.002 0.000 2.803 1037 T HA -0.134 4.216 4.350 -0.001 0.000 0.269 1037 T C 1.910 176.615 174.700 0.007 0.000 1.052 1037 T CA 0.971 63.069 62.100 -0.002 0.000 1.136 1037 T CB -0.149 68.724 68.868 0.008 0.000 0.864 1037 T HN -0.017 nan 8.240 nan 0.000 0.467 1038 V N 1.140 121.071 119.914 0.029 0.000 2.358 1038 V HA -0.122 3.997 4.120 -0.001 0.000 0.246 1038 V C 2.733 178.779 176.094 -0.080 0.000 1.047 1038 V CA 1.445 63.782 62.300 0.061 0.000 1.035 1038 V CB -0.433 31.454 31.823 0.107 0.000 0.658 1038 V HN 0.366 nan 8.190 nan 0.000 0.452 1039 R N -0.143 120.314 120.500 -0.070 0.000 2.075 1039 R HA -0.180 4.160 4.340 -0.001 0.000 0.230 1039 R C 2.328 178.505 176.300 -0.204 0.000 1.140 1039 R CA 1.750 57.775 56.100 -0.124 0.000 0.928 1039 R CB -0.443 29.827 30.300 -0.049 0.000 0.834 1039 R HN 0.413 nan 8.270 nan 0.000 0.429 1040 E N 0.455 120.571 120.200 -0.139 0.000 2.265 1040 E HA -0.105 4.245 4.350 -0.001 0.000 0.196 1040 E C 1.646 178.138 176.600 -0.180 0.000 0.996 1040 E CA 1.158 57.472 56.400 -0.143 0.000 0.832 1040 E CB -0.054 29.590 29.700 -0.092 0.000 0.756 1040 E HN 0.371 nan 8.360 nan 0.000 0.491 1041 A N 0.743 123.455 122.820 -0.179 0.000 1.898 1041 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 1041 A C 2.072 179.424 177.584 -0.388 0.000 1.181 1041 A CA 1.826 53.788 52.037 -0.124 0.000 0.620 1041 A CB -0.565 18.495 19.000 0.099 0.000 0.819 1041 A HN 0.346 nan 8.150 nan 0.000 0.442 1042 E N 0.124 119.732 120.200 -0.987 0.000 2.299 1042 E HA 0.233 4.582 4.350 -0.001 0.000 0.193 1042 E C 1.641 177.768 176.600 -0.789 0.000 0.998 1042 E CA 1.206 56.589 56.400 -1.696 0.000 0.851 1042 E CB -0.425 27.681 29.700 -2.656 0.000 0.795 1042 E HN 0.371 nan 8.360 nan 0.000 0.492 1043 A N 1.331 123.859 122.820 -0.486 0.000 1.898 1043 A HA 0.133 4.453 4.320 -0.001 0.000 0.216 1043 A C 2.454 179.904 177.584 -0.224 0.000 1.181 1043 A CA 1.595 53.463 52.037 -0.282 0.000 0.620 1043 A CB -0.920 17.960 19.000 -0.200 0.000 0.819 1043 A HN 0.449 nan 8.150 nan 0.000 0.442 1044 A N 0.053 122.749 122.820 -0.206 0.000 2.209 1044 A HA 0.088 4.407 4.320 -0.001 0.000 0.212 1044 A C 2.284 179.795 177.584 -0.121 0.000 1.158 1044 A CA 1.594 53.549 52.037 -0.137 0.000 0.742 1044 A CB -0.765 18.177 19.000 -0.097 0.000 0.790 1044 A HN 0.893 nan 8.150 nan 0.000 0.472 1045 S N 0.929 116.519 115.700 -0.183 0.000 2.399 1045 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 1045 S C 1.715 176.279 174.600 -0.060 0.000 1.022 1045 S CA 1.366 59.502 58.200 -0.106 0.000 0.983 1045 S CB -0.573 62.473 63.200 -0.256 0.000 0.803 1045 S HN 0.643 nan 8.310 nan 0.000 0.480 1046 I N -1.883 118.630 120.570 -0.094 0.000 3.419 1046 I HA 0.272 4.441 4.170 -0.001 0.000 0.286 1046 I C 0.906 176.981 176.117 -0.070 0.000 1.268 1046 I CA 0.412 61.674 61.300 -0.063 0.000 1.414 1046 I CB -0.771 37.191 38.000 -0.063 0.000 1.074 1046 I HN 0.118 nan 8.210 nan 0.000 0.457 1047 K N 2.380 122.729 120.400 -0.086 0.000 2.437 1047 K HA 0.320 4.639 4.320 -0.001 0.000 0.205 1047 K C 0.459 177.012 176.600 -0.078 0.000 1.026 1047 K CA -0.161 56.062 56.287 -0.105 0.000 1.153 1047 K CB 0.411 32.832 32.500 -0.132 0.000 0.863 1047 K HN 0.379 nan 8.250 nan 0.000 0.502 1048 I N -1.488 119.054 120.570 -0.048 0.000 2.385 1048 I HA 0.567 4.737 4.170 -0.001 0.000 0.294 1048 I C -0.656 175.445 176.117 -0.027 0.000 0.988 1048 I CA -0.849 60.434 61.300 -0.028 0.000 1.265 1048 I CB 1.174 39.173 38.000 -0.002 0.000 1.388 1048 I HN -0.019 nan 8.210 nan 0.000 0.480 1049 R N 3.244 123.729 120.500 -0.026 0.000 2.680 1049 R HA 0.477 4.816 4.340 -0.001 0.000 0.269 1049 R C 0.075 176.361 176.300 -0.024 0.000 1.026 1049 R CA 0.324 56.408 56.100 -0.027 0.000 0.889 1049 R CB 1.420 31.701 30.300 -0.031 0.000 1.241 1049 R HN 0.882 nan 8.270 nan 0.000 0.463 1050 T N 1.388 115.924 114.554 -0.030 0.000 5.504 1050 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 1050 T C -0.892 173.786 174.700 -0.038 0.000 2.211 1050 T CA 1.218 63.298 62.100 -0.033 0.000 3.769 1050 T CB -1.264 67.589 68.868 -0.024 0.000 0.563 1050 T HN 1.038 nan 8.240 nan 0.000 1.119 1051 D N 0.739 121.117 120.400 -0.037 0.000 3.060 1051 D HA -0.013 4.626 4.640 -0.001 0.000 0.209 1051 D C 0.664 176.946 176.300 -0.030 0.000 1.232 1051 D CA 0.971 54.946 54.000 -0.042 0.000 0.841 1051 D CB -0.684 40.062 40.800 -0.090 0.000 0.863 1051 D HN 0.866 nan 8.370 nan 0.000 0.389 1052 A N 1.655 124.482 122.820 0.011 0.000 3.155 1052 A HA 0.700 5.019 4.320 -0.001 0.000 0.170 1052 A C 1.518 179.168 177.584 0.111 0.000 2.084 1052 A CA 0.105 52.164 52.037 0.038 0.000 1.019 1052 A CB -0.415 18.604 19.000 0.032 0.000 1.912 1052 A HN 0.622 nan 8.150 nan 0.000 0.816 1053 G N -0.312 108.562 108.800 0.124 0.000 2.187 1053 G HA2 0.306 4.265 3.960 -0.001 0.000 0.239 1053 G HA3 0.306 4.265 3.960 -0.001 0.000 0.239 1053 G C 0.025 175.093 174.900 0.280 0.000 1.200 1053 G CA -0.149 45.066 45.100 0.192 0.000 0.888 1053 G HN 0.347 nan 8.290 nan 0.000 0.482 1054 F N 0.991 120.931 119.950 -0.017 0.000 2.514 1054 F HA 0.281 4.807 4.527 -0.002 0.000 0.309 1054 F C 1.474 177.264 175.800 -0.016 0.000 1.279 1054 F CA -1.072 56.918 58.000 -0.016 0.000 1.304 1054 F CB -0.906 38.082 39.000 -0.020 0.000 1.223 1054 F HN 0.422 nan 8.300 nan 0.000 0.563 1055 T N 0.274 114.971 114.554 0.237 0.000 2.867 1055 T HA 0.625 4.974 4.350 -0.001 0.000 0.286 1055 T C -0.129 174.594 174.700 0.038 0.000 1.022 1055 T CA -0.718 61.453 62.100 0.119 0.000 0.933 1055 T CB 0.850 69.792 68.868 0.123 0.000 1.280 1055 T HN 0.241 nan 8.240 nan 0.000 0.566 1056 L N 0.710 121.923 121.223 -0.016 0.000 2.322 1056 L HA 0.454 4.793 4.340 -0.001 0.000 0.279 1056 L C 0.555 177.231 176.870 -0.323 0.000 1.036 1056 L CA -0.618 54.077 54.840 -0.240 0.000 0.807 1056 L CB 1.081 42.894 42.059 -0.409 0.000 1.226 1056 L HN 0.374 nan 8.230 nan 0.000 0.433 1057 R N 2.470 122.773 120.500 -0.329 0.000 2.308 1057 R HA 0.114 4.454 4.340 -0.001 0.000 0.325 1057 R C -1.356 174.760 176.300 -0.307 0.000 1.161 1057 R CA -0.225 55.757 56.100 -0.197 0.000 1.022 1057 R CB 0.224 30.479 30.300 -0.076 0.000 1.091 1057 R HN 0.459 nan 8.270 nan 0.000 0.497 1058 W N 4.026 125.308 121.300 -0.030 0.000 2.507 1058 W HA 0.266 4.926 4.660 -0.001 0.000 0.334 1058 W C -0.351 176.304 176.519 0.227 0.000 1.165 1058 W CA -0.281 57.032 57.345 -0.054 0.000 1.460 1058 W CB 0.802 30.126 29.460 -0.227 0.000 1.404 1058 W HN 0.124 nan 8.180 nan 0.000 0.435 1059 V N 4.431 124.681 119.914 0.560 0.000 2.668 1059 V HA 0.371 4.490 4.120 -0.001 0.000 0.304 1059 V C 0.089 176.451 176.094 0.446 0.000 1.071 1059 V CA -1.522 61.052 62.300 0.456 0.000 0.894 1059 V CB 1.815 33.768 31.823 0.215 0.000 1.008 1059 V HN 0.395 nan 8.190 nan 0.000 0.425 1060 R N 3.050 123.645 120.500 0.157 0.000 2.582 1060 R HA 0.442 4.781 4.340 -0.001 0.000 0.271 1060 R C 0.153 176.420 176.300 -0.056 0.000 1.078 1060 R CA -0.512 55.489 56.100 -0.166 0.000 1.127 1060 R CB 1.068 31.120 30.300 -0.413 0.000 1.038 1060 R HN 0.791 nan 8.270 nan 0.000 0.500 1061 K N 0.000 120.348 120.400 -0.087 0.000 2.780 1061 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1061 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 1061 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 1061 K HN 0.000 nan 8.250 nan 0.000 0.543