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 1t3q_1_B DATA FIRST_RESID 1 DATA SEQUENCE MMKHEVVALK KKSIGTSVLR REDTRLLTGR GRYIADLVLS GMLHVASLRS DATA SEQUENCE PFAHARIVSI DVADAQALPG VELVWCGADV AELSQGIVAT MQVEGFQTTI DATA SEQUENCE QPLLANGVTR FVGEIVAVVV ASSRAIAEDA AQLIQVEYEE LPAVTGIEAA DATA SEQUENCE LEGEARANDT LAGNVVSRTS RARDELAPIF ASSAGVVRGQ FSCGRVSACP DATA SEQUENCE METRGAVAQY EWTTQQLILW TATQMPSFVR TMVAMFCAIP EHLIEVRVPD DATA SEQUENCE VGGGFGQKAH LHPEELLVCL LSRALGRPVR WIEDRQENFL GATHAKQQRN DATA SEQUENCE EMGLAFDGDG RFLALENRSI TDGGAYNNLP WTQLVESHVG NAVILGVYKV DATA SEQUENCE PAVSEESIAV ATNKCPIGAY RGVGFTAGQI ARETLIDRAA RQLGLSPFEI DATA SEQUENCE RRRNVVMPED FPFTNRLGQT HREGTYLQTI NLLEEMVNPE AFRQRQAEAR DATA SEQUENCE ARGKYLGLGV SVFNEVTGTG TRTLSFLGTP TTTHDSATVR IDPTGKVTVT DATA SEQUENCE TSLASSGQGH ETTLAQIAAD VLGVPASDVV IQAGSTKNTY GFGAYASRGA DATA SEQUENCE VIGAGSIGRA ASIVRERVKQ LAGHLLEAAS EDIVIEDGLV HVAGVPAKGM DATA SEQUENCE PFAEVVGAAY FADATHPPGF DATLEATATY DPSDLVLANG GHAAIVEIDA DATA SEQUENCE STYATRVTDF FAVEDCGTMI NPMIVEGQIR GGIAQAIGQT LLEEVIYDDF DATA SEQUENCE GQLVTTTLMD YLIPTTLDVP DIRIRHLETP SPLVPGGIKG MGESAMISAP DATA SEQUENCE AAVVAAVNDA LAHLEVVIET VPITPERIFR SIQERP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.160 176.300 -0.233 0.000 1.140 1 M CA 0.000 55.123 55.300 -0.296 0.000 0.988 1 M CB 0.000 32.212 32.600 -0.648 0.000 1.302 2 M N 1.310 120.824 119.600 -0.142 0.000 2.279 2 M HA -0.130 4.350 4.480 0.001 0.000 0.264 2 M C 1.704 177.967 176.300 -0.062 0.000 1.062 2 M CA 1.709 56.966 55.300 -0.071 0.000 1.099 2 M CB -1.110 31.461 32.600 -0.048 0.000 1.394 2 M HN 0.743 nan 8.290 nan 0.000 0.426 3 K N -1.096 119.216 120.400 -0.147 0.000 2.362 3 K HA -0.141 4.179 4.320 0.001 0.000 0.200 3 K C 1.276 177.846 176.600 -0.051 0.000 1.046 3 K CA 1.331 57.551 56.287 -0.111 0.000 0.952 3 K CB -0.596 31.787 32.500 -0.195 0.000 0.753 3 K HN 0.485 nan 8.250 nan 0.000 0.466 4 H N 0.713 119.731 119.070 -0.086 0.000 2.535 4 H HA 0.069 4.625 4.556 0.001 0.000 0.273 4 H C 0.128 175.478 175.328 0.036 0.000 0.983 4 H CA -0.404 55.587 56.048 -0.096 0.000 1.238 4 H CB 0.288 30.007 29.762 -0.072 0.000 1.412 4 H HN 0.357 nan 8.280 nan 0.000 0.562 5 E N 1.901 122.213 120.200 0.186 0.000 2.608 5 E HA -0.060 4.291 4.350 0.001 0.000 0.259 5 E C -0.841 175.877 176.600 0.196 0.000 0.951 5 E CA -0.049 56.442 56.400 0.153 0.000 0.945 5 E CB 0.568 30.326 29.700 0.097 0.000 0.916 5 E HN 0.014 nan 8.360 nan 0.000 0.477 6 V N 7.030 127.016 119.914 0.119 0.000 2.304 6 V HA 0.114 4.234 4.120 0.001 0.000 0.278 6 V C 0.139 176.246 176.094 0.022 0.000 1.018 6 V CA -0.715 61.633 62.300 0.080 0.000 0.814 6 V CB 0.779 32.642 31.823 0.067 0.000 1.021 6 V HN 0.569 nan 8.190 nan 0.000 0.440 7 V N 2.727 122.636 119.914 -0.009 0.000 2.963 7 V HA 0.791 4.911 4.120 0.001 0.000 0.306 7 V C 0.665 176.742 176.094 -0.028 0.000 1.077 7 V CA -0.180 62.108 62.300 -0.020 0.000 1.124 7 V CB 0.945 32.746 31.823 -0.035 0.000 0.987 7 V HN 0.895 nan 8.190 nan 0.000 0.487 8 A N 5.301 128.107 122.820 -0.024 0.000 2.310 8 A HA 0.873 5.194 4.320 0.001 0.000 0.299 8 A C -0.435 177.129 177.584 -0.034 0.000 1.147 8 A CA -0.448 51.573 52.037 -0.026 0.000 0.818 8 A CB 0.592 19.580 19.000 -0.021 0.000 1.096 8 A HN 1.981 nan 8.150 nan 0.000 0.495 9 L N -0.969 120.232 121.223 -0.037 0.000 2.518 9 L HA 0.702 5.042 4.340 0.001 0.000 0.257 9 L C -0.690 176.157 176.870 -0.037 0.000 0.980 9 L CA -0.837 53.978 54.840 -0.041 0.000 0.837 9 L CB 1.803 43.833 42.059 -0.049 0.000 1.410 9 L HN 0.600 nan 8.230 nan 0.000 0.410 10 K N 1.783 122.161 120.400 -0.036 0.000 2.240 10 K HA 0.474 4.795 4.320 0.001 0.000 0.271 10 K C -0.776 175.804 176.600 -0.033 0.000 1.018 10 K CA -0.556 55.713 56.287 -0.031 0.000 0.874 10 K CB 0.971 33.456 32.500 -0.024 0.000 1.098 10 K HN 0.740 nan 8.250 nan 0.000 0.458 11 K N 3.835 124.216 120.400 -0.032 0.000 2.412 11 K HA -0.007 4.314 4.320 0.001 0.000 0.281 11 K C 0.307 176.889 176.600 -0.029 0.000 1.027 11 K CA 0.180 56.447 56.287 -0.033 0.000 0.989 11 K CB 1.216 33.697 32.500 -0.032 0.000 0.935 11 K HN 0.591 nan 8.250 nan 0.000 0.475 12 K N 0.857 121.238 120.400 -0.031 0.000 2.868 12 K HA -0.018 4.303 4.320 0.001 0.000 0.217 12 K C 1.858 178.441 176.600 -0.028 0.000 1.712 12 K CA 0.084 56.355 56.287 -0.028 0.000 1.134 12 K CB 0.055 32.537 32.500 -0.030 0.000 2.040 12 K HN 0.374 nan 8.250 nan 0.000 0.487 13 S N 0.718 116.399 115.700 -0.031 0.000 2.377 13 S HA 0.172 4.643 4.470 0.001 0.000 0.223 13 S C 0.861 175.444 174.600 -0.028 0.000 1.030 13 S CA 0.101 58.284 58.200 -0.027 0.000 0.970 13 S CB -0.195 62.987 63.200 -0.029 0.000 0.830 13 S HN 0.272 nan 8.310 nan 0.000 0.473 14 I N 1.782 122.333 120.570 -0.032 0.000 2.741 14 I HA 0.175 4.345 4.170 0.001 0.000 0.288 14 I C 1.551 177.648 176.117 -0.033 0.000 1.192 14 I CA 0.981 62.261 61.300 -0.033 0.000 1.426 14 I CB 0.356 38.333 38.000 -0.038 0.000 1.367 14 I HN 0.557 nan 8.210 nan 0.000 0.563 15 G N 3.684 112.463 108.800 -0.036 0.000 2.195 15 G HA2 -0.217 3.743 3.960 0.001 0.000 0.224 15 G HA3 -0.217 3.743 3.960 0.001 0.000 0.224 15 G C 0.267 175.143 174.900 -0.039 0.000 0.990 15 G CA 0.067 45.142 45.100 -0.042 0.000 0.639 15 G HN 0.783 nan 8.290 nan 0.000 0.514 16 T N -1.415 113.121 114.554 -0.030 0.000 2.895 16 T HA 0.662 5.012 4.350 0.001 0.000 0.283 16 T C 0.362 175.051 174.700 -0.020 0.000 1.014 16 T CA 0.331 62.416 62.100 -0.024 0.000 1.037 16 T CB 1.978 70.835 68.868 -0.018 0.000 1.006 16 T HN 0.362 nan 8.240 nan 0.000 0.468 17 S N 2.388 118.079 115.700 -0.016 0.000 4.183 17 S HA 0.243 4.714 4.470 0.001 0.000 0.195 17 S C 0.472 175.071 174.600 -0.001 0.000 1.421 17 S CA -0.643 57.553 58.200 -0.008 0.000 0.920 17 S CB -0.893 62.305 63.200 -0.004 0.000 1.525 17 S HN 0.648 nan 8.310 nan 0.000 0.447 18 V N 3.547 123.460 119.914 -0.001 0.000 2.673 18 V HA 0.036 4.156 4.120 0.001 0.000 0.303 18 V C 0.716 176.814 176.094 0.007 0.000 1.046 18 V CA -0.123 62.178 62.300 0.002 0.000 1.126 18 V CB 0.251 32.074 31.823 0.000 0.000 0.934 18 V HN 0.608 nan 8.190 nan 0.000 0.487 19 L N 5.954 127.182 121.223 0.008 0.000 2.456 19 L HA 0.247 4.587 4.340 0.001 0.000 0.272 19 L C 0.983 177.861 176.870 0.013 0.000 1.189 19 L CA -0.159 54.688 54.840 0.012 0.000 0.846 19 L CB 0.075 42.141 42.059 0.012 0.000 1.111 19 L HN 0.603 nan 8.230 nan 0.000 0.475 20 R N 3.076 123.586 120.500 0.016 0.000 2.449 20 R HA 0.003 4.344 4.340 0.001 0.000 0.296 20 R C 1.168 177.477 176.300 0.014 0.000 1.047 20 R CA -0.213 55.896 56.100 0.016 0.000 1.018 20 R CB 0.434 30.744 30.300 0.018 0.000 0.962 20 R HN 0.639 nan 8.270 nan 0.000 0.428 21 R N 2.752 123.260 120.500 0.013 0.000 2.189 21 R HA -0.109 4.232 4.340 0.001 0.000 0.218 21 R C 1.086 177.392 176.300 0.009 0.000 1.074 21 R CA 1.121 57.228 56.100 0.011 0.000 0.991 21 R CB -0.054 30.252 30.300 0.011 0.000 0.883 21 R HN 0.638 nan 8.270 nan 0.000 0.457 22 E N 1.496 121.700 120.200 0.007 0.000 2.358 22 E HA -0.142 4.209 4.350 0.001 0.000 0.195 22 E C 0.482 177.087 176.600 0.008 0.000 1.010 22 E CA 0.771 57.172 56.400 0.001 0.000 0.856 22 E CB -0.113 29.581 29.700 -0.008 0.000 0.795 22 E HN 0.262 nan 8.360 nan 0.000 0.504 23 D N 1.641 122.050 120.400 0.015 0.000 2.149 23 D HA -0.124 4.516 4.640 0.001 0.000 0.198 23 D C 1.697 178.011 176.300 0.023 0.000 0.990 23 D CA 2.079 56.093 54.000 0.023 0.000 0.839 23 D CB -0.431 40.383 40.800 0.023 0.000 0.948 23 D HN 0.222 nan 8.370 nan 0.000 0.460 24 T N 0.850 115.415 114.554 0.018 0.000 2.708 24 T HA -0.185 4.166 4.350 0.001 0.000 0.266 24 T C 1.901 176.613 174.700 0.020 0.000 1.037 24 T CA 1.631 63.741 62.100 0.018 0.000 1.146 24 T CB -0.139 68.737 68.868 0.014 0.000 0.865 24 T HN 0.389 nan 8.240 nan 0.000 0.435 25 R N 1.251 121.760 120.500 0.016 0.000 2.115 25 R HA 0.134 4.475 4.340 0.001 0.000 0.226 25 R C 2.129 178.449 176.300 0.034 0.000 1.100 25 R CA 1.011 57.121 56.100 0.017 0.000 0.980 25 R CB -0.702 29.599 30.300 0.001 0.000 0.875 25 R HN 0.318 nan 8.270 nan 0.000 0.445 26 L N 0.732 121.979 121.223 0.040 0.000 2.478 26 L HA 0.056 4.396 4.340 0.001 0.000 0.223 26 L C 1.780 178.694 176.870 0.073 0.000 1.140 26 L CA 0.543 55.430 54.840 0.078 0.000 0.842 26 L CB -0.067 42.040 42.059 0.081 0.000 0.953 26 L HN 0.207 nan 8.230 nan 0.000 0.452 27 L N -0.945 120.307 121.223 0.049 0.000 2.616 27 L HA 0.047 4.388 4.340 0.001 0.000 0.229 27 L C 1.746 178.637 176.870 0.035 0.000 1.110 27 L CA 0.459 55.323 54.840 0.040 0.000 0.884 27 L CB 0.134 42.212 42.059 0.032 0.000 1.115 27 L HN 0.255 nan 8.230 nan 0.000 0.481 28 T N -4.629 109.947 114.554 0.036 0.000 3.129 28 T HA 0.309 4.659 4.350 0.001 0.000 0.267 28 T C 1.307 176.028 174.700 0.035 0.000 1.018 28 T CA 0.307 62.425 62.100 0.030 0.000 0.903 28 T CB 0.753 69.635 68.868 0.024 0.000 1.067 28 T HN 0.267 nan 8.240 nan 0.000 0.549 29 G N 2.457 111.287 108.800 0.049 0.000 2.143 29 G HA2 -0.289 3.671 3.960 0.001 0.000 0.248 29 G HA3 -0.289 3.671 3.960 0.001 0.000 0.248 29 G C 0.698 175.635 174.900 0.062 0.000 0.991 29 G CA 0.134 45.268 45.100 0.056 0.000 0.689 29 G HN 0.574 nan 8.290 nan 0.000 0.522 30 R N 0.297 120.830 120.500 0.056 0.000 2.507 30 R HA 0.330 4.671 4.340 0.001 0.000 0.298 30 R C 1.468 177.787 176.300 0.031 0.000 0.999 30 R CA 0.217 56.341 56.100 0.040 0.000 1.082 30 R CB 0.613 30.927 30.300 0.023 0.000 1.246 30 R HN 0.353 nan 8.270 nan 0.000 0.553 31 G N 0.896 109.736 108.800 0.068 0.000 2.569 31 G HA2 0.166 4.127 3.960 0.001 0.000 0.249 31 G HA3 0.166 4.127 3.960 0.001 0.000 0.249 31 G C -0.274 174.599 174.900 -0.044 0.000 1.216 31 G CA -0.494 44.587 45.100 -0.031 0.000 0.845 31 G HN 0.206 nan 8.290 nan 0.000 0.568 32 R N 1.172 121.541 120.500 -0.219 0.000 2.415 32 R HA 0.240 4.581 4.340 0.001 0.000 0.292 32 R C -1.144 175.053 176.300 -0.170 0.000 1.295 32 R CA -0.372 55.670 56.100 -0.097 0.000 1.137 32 R CB 0.990 31.256 30.300 -0.056 0.000 1.135 32 R HN 0.558 nan 8.270 nan 0.000 0.560 33 Y N 0.656 120.954 120.300 -0.004 0.000 2.408 33 Y HA 0.111 4.662 4.550 0.001 0.000 0.324 33 Y C 1.710 177.601 175.900 -0.015 0.000 1.302 33 Y CA -0.753 57.345 58.100 -0.004 0.000 1.384 33 Y CB 0.494 38.945 38.460 -0.015 0.000 1.367 33 Y HN 0.326 nan 8.280 nan 0.000 0.525 34 I N 1.409 122.076 120.570 0.161 0.000 2.194 34 I HA -0.300 3.870 4.170 0.001 0.000 0.246 34 I C 2.111 178.233 176.117 0.008 0.000 1.093 34 I CA 2.078 63.420 61.300 0.070 0.000 1.355 34 I CB -0.777 37.262 38.000 0.066 0.000 1.046 34 I HN 0.726 nan 8.210 nan 0.000 0.413 35 A N -0.614 122.212 122.820 0.009 0.000 2.119 35 A HA -0.129 4.191 4.320 0.001 0.000 0.217 35 A C 1.754 179.330 177.584 -0.013 0.000 1.153 35 A CA 1.561 53.583 52.037 -0.025 0.000 0.692 35 A CB -0.675 18.297 19.000 -0.047 0.000 0.799 35 A HN 0.513 nan 8.150 nan 0.000 0.458 36 D N -0.811 119.599 120.400 0.017 0.000 2.323 36 D HA 0.057 4.697 4.640 0.001 0.000 0.209 36 D C 0.570 176.843 176.300 -0.045 0.000 0.973 36 D CA 0.017 54.023 54.000 0.010 0.000 0.874 36 D CB -0.184 40.655 40.800 0.066 0.000 0.930 36 D HN 0.391 nan 8.370 nan 0.000 0.521 37 L N 1.392 122.556 121.223 -0.098 0.000 2.453 37 L HA 0.075 4.416 4.340 0.001 0.000 0.272 37 L C -0.584 176.167 176.870 -0.198 0.000 1.182 37 L CA 0.139 54.854 54.840 -0.209 0.000 0.858 37 L CB 0.908 42.734 42.059 -0.389 0.000 1.120 37 L HN -0.301 nan 8.230 nan 0.000 0.474 38 V N 6.933 126.730 119.914 -0.195 0.000 2.483 38 V HA 0.465 4.585 4.120 0.001 0.000 0.297 38 V C -0.186 175.800 176.094 -0.180 0.000 1.027 38 V CA -0.559 61.653 62.300 -0.148 0.000 0.855 38 V CB 1.517 33.292 31.823 -0.080 0.000 0.995 38 V HN 0.605 nan 8.190 nan 0.000 0.424 39 L N 2.899 124.016 121.223 -0.177 0.000 2.362 39 L HA 0.544 4.885 4.340 0.001 0.000 0.271 39 L C 0.454 177.277 176.870 -0.078 0.000 1.002 39 L CA -0.547 54.202 54.840 -0.152 0.000 0.818 39 L CB 2.247 44.183 42.059 -0.206 0.000 1.298 39 L HN 0.644 nan 8.230 nan 0.000 0.420 40 S N 1.233 116.907 115.700 -0.043 0.000 2.552 40 S HA 0.270 4.740 4.470 0.001 0.000 0.289 40 S C 1.179 175.775 174.600 -0.008 0.000 1.304 40 S CA 0.812 59.002 58.200 -0.017 0.000 1.063 40 S CB 0.319 63.517 63.200 -0.003 0.000 0.848 40 S HN 1.029 nan 8.310 nan 0.000 0.499 41 G N 4.176 112.976 108.800 0.001 0.000 2.175 41 G HA2 -0.318 3.643 3.960 0.001 0.000 0.265 41 G HA3 -0.318 3.643 3.960 0.001 0.000 0.265 41 G C 0.217 175.114 174.900 -0.006 0.000 0.979 41 G CA 0.544 45.650 45.100 0.009 0.000 0.663 41 G HN 0.867 nan 8.290 nan 0.000 0.533 42 M N 0.512 120.091 119.600 -0.036 0.000 2.290 42 M HA 0.424 4.905 4.480 0.001 0.000 0.356 42 M C 0.512 176.733 176.300 -0.131 0.000 1.448 42 M CA 0.614 55.853 55.300 -0.101 0.000 0.993 42 M CB 0.109 32.618 32.600 -0.152 0.000 1.934 42 M HN 0.243 nan 8.290 nan 0.000 0.461 43 L N 4.574 125.699 121.223 -0.163 0.000 2.331 43 L HA 0.555 4.895 4.340 0.001 0.000 0.268 43 L C -0.291 176.387 176.870 -0.319 0.000 1.015 43 L CA -1.020 53.752 54.840 -0.113 0.000 0.807 43 L CB 1.607 43.644 42.059 -0.036 0.000 1.293 43 L HN 0.636 nan 8.230 nan 0.000 0.451 44 H N 0.158 119.229 119.070 0.002 0.000 2.538 44 H HA 0.424 4.981 4.556 0.001 0.000 0.353 44 H C -1.052 174.290 175.328 0.023 0.000 1.109 44 H CA -0.585 55.475 56.048 0.020 0.000 1.192 44 H CB 2.955 32.726 29.762 0.014 0.000 1.555 44 H HN 0.221 nan 8.280 nan 0.000 0.518 45 V N 1.713 121.720 119.914 0.156 0.000 2.547 45 V HA 0.757 4.877 4.120 0.001 0.000 0.299 45 V C -0.616 175.573 176.094 0.158 0.000 1.040 45 V CA -0.341 62.029 62.300 0.116 0.000 0.913 45 V CB 1.241 33.117 31.823 0.087 0.000 0.992 45 V HN 0.962 nan 8.190 nan 0.000 0.449 46 A N 4.297 127.181 122.820 0.106 0.000 2.454 46 A HA 0.922 5.242 4.320 0.001 0.000 0.302 46 A C -0.585 177.050 177.584 0.084 0.000 1.079 46 A CA -0.572 51.530 52.037 0.108 0.000 0.731 46 A CB 2.155 21.199 19.000 0.074 0.000 1.299 46 A HN 0.863 nan 8.150 nan 0.000 0.413 47 S N -0.059 115.695 115.700 0.091 0.000 2.536 47 S HA 0.644 5.114 4.470 0.001 0.000 0.298 47 S C -1.113 173.525 174.600 0.062 0.000 1.083 47 S CA -0.457 57.785 58.200 0.070 0.000 0.995 47 S CB 1.512 64.756 63.200 0.073 0.000 1.058 47 S HN 0.890 nan 8.310 nan 0.000 0.488 48 L N 3.149 124.405 121.223 0.055 0.000 2.296 48 L HA 0.625 4.965 4.340 0.001 0.000 0.286 48 L C -0.439 176.464 176.870 0.055 0.000 1.023 48 L CA -0.034 54.839 54.840 0.056 0.000 0.812 48 L CB 0.731 42.826 42.059 0.061 0.000 1.223 48 L HN 0.635 nan 8.230 nan 0.000 0.421 49 R N 2.304 122.831 120.500 0.045 0.000 2.828 49 R HA 0.560 4.900 4.340 0.001 0.000 0.264 49 R C -0.531 175.774 176.300 0.009 0.000 1.022 49 R CA -0.912 55.201 56.100 0.020 0.000 1.021 49 R CB 1.709 32.018 30.300 0.014 0.000 1.163 49 R HN 0.699 nan 8.270 nan 0.000 0.494 50 S N 1.808 117.488 115.700 -0.034 0.000 2.533 50 S HA 0.135 4.606 4.470 0.001 0.000 0.282 50 S C -1.600 172.869 174.600 -0.218 0.000 1.304 50 S CA -1.161 56.983 58.200 -0.093 0.000 1.063 50 S CB 0.611 63.761 63.200 -0.083 0.000 0.881 50 S HN 0.478 nan 8.310 nan 0.000 0.493 51 P HA 0.253 nan 4.420 nan 0.000 0.267 51 P C -0.620 176.197 177.300 -0.804 0.000 1.289 51 P CA 0.024 62.754 63.100 -0.618 0.000 0.866 51 P CB -0.038 31.192 31.700 -0.784 0.000 1.309 52 F N -0.639 119.172 119.950 -0.233 0.000 2.546 52 F HA 0.584 5.111 4.527 0.001 0.000 0.320 52 F C 1.694 177.487 175.800 -0.012 0.000 1.076 52 F CA -1.129 56.796 58.000 -0.126 0.000 0.928 52 F CB 1.279 40.158 39.000 -0.202 0.000 1.189 52 F HN -0.286 nan 8.300 nan 0.000 0.465 53 A N 0.790 123.777 122.820 0.279 0.000 1.930 53 A HA -0.088 4.232 4.320 0.001 0.000 0.217 53 A C 0.337 178.075 177.584 0.256 0.000 1.175 53 A CA 1.440 53.622 52.037 0.242 0.000 0.627 53 A CB -0.484 18.647 19.000 0.219 0.000 0.815 53 A HN 0.808 nan 8.150 nan 0.000 0.443 54 H N -2.035 117.108 119.070 0.122 0.000 3.149 54 H HA 0.535 5.091 4.556 0.001 0.000 0.334 54 H C -1.320 174.035 175.328 0.045 0.000 1.000 54 H CA -0.262 55.828 56.048 0.071 0.000 1.415 54 H CB 1.148 30.934 29.762 0.040 0.000 1.819 54 H HN 0.413 nan 8.280 nan 0.000 0.486 55 A N 4.897 127.763 122.820 0.076 0.000 2.589 55 A HA 0.412 4.732 4.320 0.001 0.000 0.296 55 A C -1.329 176.283 177.584 0.048 0.000 1.062 55 A CA -0.840 51.178 52.037 -0.032 0.000 0.686 55 A CB 1.912 20.915 19.000 0.004 0.000 1.282 55 A HN 0.747 nan 8.150 nan 0.000 0.404 56 R N 1.318 121.808 120.500 -0.016 0.000 2.410 56 R HA 0.577 4.918 4.340 0.001 0.000 0.288 56 R C -1.008 175.321 176.300 0.048 0.000 1.051 56 R CA -0.404 55.698 56.100 0.004 0.000 1.021 56 R CB 0.389 30.661 30.300 -0.048 0.000 1.032 56 R HN 0.627 nan 8.270 nan 0.000 0.481 57 I N 5.909 126.485 120.570 0.010 0.000 2.287 57 I HA 0.038 4.209 4.170 0.001 0.000 0.290 57 I C 1.201 177.252 176.117 -0.109 0.000 1.069 57 I CA -0.436 60.802 61.300 -0.103 0.000 1.237 57 I CB 1.469 39.410 38.000 -0.097 0.000 1.418 57 I HN 0.599 nan 8.210 nan 0.000 0.481 58 V N 4.182 124.021 119.914 -0.124 0.000 2.261 58 V HA -0.143 3.977 4.120 0.001 0.000 0.246 58 V C 0.997 177.035 176.094 -0.094 0.000 1.047 58 V CA 1.607 63.853 62.300 -0.090 0.000 1.015 58 V CB -0.514 31.265 31.823 -0.075 0.000 0.642 58 V HN 0.895 nan 8.190 nan 0.000 0.446 59 S N -1.732 113.891 115.700 -0.127 0.000 2.565 59 S HA 0.726 5.196 4.470 0.001 0.000 0.269 59 S C -1.279 173.245 174.600 -0.126 0.000 1.153 59 S CA -0.782 57.356 58.200 -0.102 0.000 0.835 59 S CB 2.305 65.463 63.200 -0.070 0.000 1.122 59 S HN 0.100 nan 8.310 nan 0.000 0.462 60 I N 1.402 121.920 120.570 -0.087 0.000 2.571 60 I HA 0.449 4.619 4.170 0.001 0.000 0.289 60 I C -1.747 174.347 176.117 -0.038 0.000 1.115 60 I CA -0.380 60.876 61.300 -0.073 0.000 1.045 60 I CB 2.215 40.176 38.000 -0.065 0.000 1.238 60 I HN 0.718 nan 8.210 nan 0.000 0.424 61 D N 5.515 125.899 120.400 -0.026 0.000 2.425 61 D HA 0.411 5.051 4.640 0.001 0.000 0.240 61 D C 0.120 176.421 176.300 0.001 0.000 1.080 61 D CA -0.378 53.616 54.000 -0.011 0.000 0.836 61 D CB 2.134 42.928 40.800 -0.010 0.000 1.125 61 D HN 0.329 nan 8.370 nan 0.000 0.525 62 V N 1.855 121.774 119.914 0.009 0.000 3.253 62 V HA 0.490 4.610 4.120 0.001 0.000 0.320 62 V C 1.603 177.708 176.094 0.018 0.000 1.442 62 V CA 0.506 62.818 62.300 0.019 0.000 1.097 62 V CB 0.046 31.889 31.823 0.033 0.000 1.008 62 V HN 0.438 nan 8.190 nan 0.000 0.463 63 A N 1.223 124.050 122.820 0.012 0.000 1.865 63 A HA -0.208 4.113 4.320 0.001 0.000 0.217 63 A C 1.852 179.442 177.584 0.010 0.000 1.191 63 A CA 2.555 54.598 52.037 0.011 0.000 0.623 63 A CB -0.729 18.275 19.000 0.007 0.000 0.826 63 A HN 0.538 nan 8.150 nan 0.000 0.444 64 D N -0.142 120.263 120.400 0.009 0.000 2.144 64 D HA -0.033 4.607 4.640 0.001 0.000 0.199 64 D C 2.205 178.511 176.300 0.009 0.000 0.984 64 D CA 1.506 55.511 54.000 0.008 0.000 0.834 64 D CB -0.445 40.360 40.800 0.007 0.000 0.955 64 D HN 0.439 nan 8.370 nan 0.000 0.465 65 A N 0.683 123.509 122.820 0.011 0.000 1.898 65 A HA -0.217 4.104 4.320 0.001 0.000 0.216 65 A C 2.093 179.683 177.584 0.009 0.000 1.181 65 A CA 1.361 53.405 52.037 0.012 0.000 0.620 65 A CB -0.604 18.405 19.000 0.016 0.000 0.819 65 A HN 0.217 nan 8.150 nan 0.000 0.442 66 Q N -0.756 119.051 119.800 0.012 0.000 2.170 66 Q HA -0.043 4.298 4.340 0.001 0.000 0.203 66 Q C 2.210 178.214 176.000 0.006 0.000 0.976 66 Q CA 1.220 57.028 55.803 0.010 0.000 0.858 66 Q CB -0.308 28.441 28.738 0.017 0.000 0.907 66 Q HN 0.689 nan 8.270 nan 0.000 0.433 67 A N 0.507 123.331 122.820 0.006 0.000 2.072 67 A HA 0.020 4.340 4.320 0.001 0.000 0.216 67 A C 0.908 178.494 177.584 0.003 0.000 1.156 67 A CA -0.168 51.872 52.037 0.005 0.000 0.701 67 A CB -0.148 18.854 19.000 0.005 0.000 0.816 67 A HN 0.296 nan 8.150 nan 0.000 0.458 68 L N 2.349 123.574 121.223 0.003 0.000 2.559 68 L HA 0.154 4.494 4.340 0.001 0.000 0.274 68 L C -2.023 174.847 176.870 0.001 0.000 1.205 68 L CA -1.410 53.431 54.840 0.002 0.000 0.907 68 L CB -0.004 42.057 42.059 0.002 0.000 1.153 68 L HN 0.108 nan 8.230 nan 0.000 0.490 69 P HA 0.116 nan 4.420 nan 0.000 0.266 69 P C 0.647 177.947 177.300 -0.000 0.000 1.195 69 P CA 0.894 63.994 63.100 0.000 0.000 0.768 69 P CB 0.767 32.467 31.700 -0.000 0.000 0.838 70 G N 1.234 110.035 108.800 0.001 0.000 2.234 70 G HA2 -0.212 3.748 3.960 0.001 0.000 0.235 70 G HA3 -0.212 3.748 3.960 0.001 0.000 0.235 70 G C -0.027 174.876 174.900 0.004 0.000 0.997 70 G CA -0.041 45.061 45.100 0.003 0.000 0.623 70 G HN 0.557 nan 8.290 nan 0.000 0.514 71 V N 1.696 121.609 119.914 -0.001 0.000 2.530 71 V HA 0.449 4.569 4.120 0.001 0.000 0.282 71 V C 1.073 177.158 176.094 -0.014 0.000 1.048 71 V CA 0.191 62.487 62.300 -0.006 0.000 0.997 71 V CB 1.629 33.448 31.823 -0.006 0.000 0.987 71 V HN 0.315 nan 8.190 nan 0.000 0.477 72 E N 3.634 123.817 120.200 -0.028 0.000 2.447 72 E HA 0.352 4.702 4.350 0.001 0.000 0.204 72 E C -0.090 176.469 176.600 -0.067 0.000 0.977 72 E CA 0.197 56.573 56.400 -0.039 0.000 0.950 72 E CB 1.545 31.220 29.700 -0.041 0.000 0.975 72 E HN 0.587 nan 8.360 nan 0.000 0.496 73 L N -0.342 120.824 121.223 -0.095 0.000 2.672 73 L HA 0.335 4.675 4.340 0.001 0.000 0.256 73 L C -1.998 174.787 176.870 -0.142 0.000 0.946 73 L CA -0.587 54.164 54.840 -0.147 0.000 0.889 73 L CB 2.001 43.875 42.059 -0.308 0.000 1.441 73 L HN -0.320 nan 8.230 nan 0.000 0.418 74 V N 2.728 122.600 119.914 -0.069 0.000 2.612 74 V HA 0.527 4.648 4.120 0.001 0.000 0.301 74 V C -1.380 174.829 176.094 0.191 0.000 1.059 74 V CA -0.335 61.973 62.300 0.012 0.000 0.886 74 V CB 1.884 33.731 31.823 0.040 0.000 1.007 74 V HN 0.609 nan 8.190 nan 0.000 0.426 75 W N 3.817 125.109 121.300 -0.012 0.000 2.689 75 W HA 0.777 5.437 4.660 0.001 0.000 0.340 75 W C 0.266 176.772 176.519 -0.023 0.000 1.060 75 W CA -1.323 56.010 57.345 -0.021 0.000 1.218 75 W CB 1.816 31.260 29.460 -0.027 0.000 1.410 75 W HN 0.852 nan 8.180 nan 0.000 0.528 76 C N -0.961 118.435 119.300 0.160 0.000 2.803 76 C HA 0.845 5.306 4.460 0.001 0.000 0.389 76 C C 1.685 176.676 174.990 0.001 0.000 1.433 76 C CA -0.011 59.044 59.018 0.062 0.000 1.714 76 C CB 1.157 28.910 27.740 0.020 0.000 2.106 76 C HN 0.867 nan 8.230 nan 0.000 0.480 77 G N 0.183 108.973 108.800 -0.017 0.000 2.442 77 G HA2 0.012 3.973 3.960 0.001 0.000 0.219 77 G HA3 0.012 3.973 3.960 0.001 0.000 0.219 77 G C 1.595 176.438 174.900 -0.095 0.000 1.141 77 G CA 1.427 46.498 45.100 -0.047 0.000 0.763 77 G HN 1.423 nan 8.290 nan 0.000 0.554 78 A N 0.882 123.644 122.820 -0.096 0.000 1.930 78 A HA -0.022 4.299 4.320 0.001 0.000 0.217 78 A C 2.086 179.551 177.584 -0.199 0.000 1.175 78 A CA 1.906 53.870 52.037 -0.122 0.000 0.627 78 A CB -0.290 18.654 19.000 -0.093 0.000 0.815 78 A HN 0.303 nan 8.150 nan 0.000 0.443 79 D N -0.068 120.172 120.400 -0.267 0.000 2.097 79 D HA -0.108 4.533 4.640 0.001 0.000 0.195 79 D C 2.098 178.005 176.300 -0.655 0.000 0.989 79 D CA 1.648 55.343 54.000 -0.509 0.000 0.827 79 D CB -0.315 40.044 40.800 -0.735 0.000 0.966 79 D HN 0.258 nan 8.370 nan 0.000 0.456 80 V N 1.797 121.404 119.914 -0.511 0.000 2.358 80 V HA -0.176 3.944 4.120 0.001 0.000 0.246 80 V C 2.625 178.555 176.094 -0.274 0.000 1.047 80 V CA 1.526 63.578 62.300 -0.414 0.000 1.035 80 V CB -0.837 30.877 31.823 -0.182 0.000 0.658 80 V HN 0.145 nan 8.190 nan 0.000 0.452 81 A N -0.057 122.638 122.820 -0.208 0.000 2.032 81 A HA -0.271 4.049 4.320 0.001 0.000 0.221 81 A C 2.121 179.612 177.584 -0.154 0.000 1.165 81 A CA 1.967 53.912 52.037 -0.153 0.000 0.645 81 A CB -0.469 18.460 19.000 -0.120 0.000 0.807 81 A HN 0.681 nan 8.150 nan 0.000 0.453 82 E N -0.639 119.443 120.200 -0.197 0.000 2.274 82 E HA -0.014 4.336 4.350 0.001 0.000 0.194 82 E C 1.530 178.034 176.600 -0.160 0.000 0.996 82 E CA 0.768 57.066 56.400 -0.170 0.000 0.840 82 E CB -0.116 29.468 29.700 -0.194 0.000 0.772 82 E HN 0.686 nan 8.360 nan 0.000 0.491 83 L N -0.674 120.433 121.223 -0.193 0.000 2.470 83 L HA 0.170 4.510 4.340 0.001 0.000 0.219 83 L C 0.918 177.732 176.870 -0.093 0.000 1.071 83 L CA -0.052 54.700 54.840 -0.147 0.000 0.850 83 L CB 0.759 42.705 42.059 -0.187 0.000 1.040 83 L HN -0.139 nan 8.230 nan 0.000 0.475 84 S N -0.787 114.851 115.700 -0.102 0.000 2.548 84 S HA 0.135 4.605 4.470 0.001 0.000 0.278 84 S C 0.024 174.563 174.600 -0.102 0.000 1.150 84 S CA -0.661 57.496 58.200 -0.072 0.000 0.907 84 S CB 1.553 64.726 63.200 -0.045 0.000 1.108 84 S HN 0.334 nan 8.310 nan 0.000 0.459 85 Q N 2.786 122.525 119.800 -0.101 0.000 2.435 85 Q HA 0.472 4.812 4.340 0.001 0.000 0.207 85 Q C 1.036 176.926 176.000 -0.184 0.000 0.956 85 Q CA 0.690 56.420 55.803 -0.122 0.000 0.917 85 Q CB -0.091 28.588 28.738 -0.098 0.000 0.997 85 Q HN 1.425 nan 8.270 nan 0.000 0.497 86 G N 0.863 109.517 108.800 -0.242 0.000 2.362 86 G HA2 -0.096 3.864 3.960 0.001 0.000 0.517 86 G HA3 -0.096 3.864 3.960 0.001 0.000 0.517 86 G C -1.102 173.394 174.900 -0.674 0.000 1.256 86 G CA -0.533 44.360 45.100 -0.345 0.000 1.027 86 G HN 0.223 nan 8.290 nan 0.000 0.491 87 I N 1.125 121.317 120.570 -0.630 0.000 2.322 87 I HA 0.337 4.507 4.170 0.001 0.000 0.292 87 I C 0.538 176.298 176.117 -0.595 0.000 1.060 87 I CA -0.597 60.208 61.300 -0.826 0.000 1.309 87 I CB 1.114 38.900 38.000 -0.356 0.000 1.415 87 I HN 0.302 nan 8.210 nan 0.000 0.492 88 V N 6.582 126.064 119.914 -0.719 0.000 2.432 88 V HA 0.500 4.620 4.120 0.001 0.000 0.271 88 V C 0.542 176.652 176.094 0.026 0.000 1.046 88 V CA -0.334 61.847 62.300 -0.198 0.000 0.945 88 V CB 0.999 32.794 31.823 -0.046 0.000 0.992 88 V HN 0.825 nan 8.190 nan 0.000 0.471 89 A N 3.981 126.839 122.820 0.063 0.000 2.335 89 A HA 0.825 5.145 4.320 0.001 0.000 0.304 89 A C -0.257 177.459 177.584 0.221 0.000 1.118 89 A CA -0.417 51.700 52.037 0.133 0.000 0.757 89 A CB 1.869 20.948 19.000 0.132 0.000 1.188 89 A HN 0.725 nan 8.150 nan 0.000 0.460 90 T N 1.915 116.568 114.554 0.165 0.000 2.812 90 T HA 0.750 5.101 4.350 0.001 0.000 0.294 90 T C -1.335 173.248 174.700 -0.195 0.000 1.159 90 T CA -0.502 61.709 62.100 0.185 0.000 1.008 90 T CB 1.088 70.062 68.868 0.177 0.000 1.289 90 T HN 0.589 nan 8.240 nan 0.000 0.514 91 M N 2.049 121.353 119.600 -0.493 0.000 2.484 91 M HA 0.348 4.828 4.480 0.001 0.000 0.289 91 M C -0.602 175.527 176.300 -0.284 0.000 1.206 91 M CA -0.527 54.428 55.300 -0.574 0.000 0.892 91 M CB 2.107 34.021 32.600 -1.144 0.000 1.712 91 M HN 0.766 nan 8.290 nan 0.000 0.462 92 Q N 2.350 122.055 119.800 -0.159 0.000 3.254 92 Q HA 0.385 4.725 4.340 0.001 0.000 0.315 92 Q C -1.587 174.385 176.000 -0.046 0.000 1.405 92 Q CA -0.029 55.741 55.803 -0.055 0.000 0.966 92 Q CB -0.047 28.680 28.738 -0.018 0.000 1.706 92 Q HN 0.466 nan 8.270 nan 0.000 0.525 93 V N 2.023 121.910 119.914 -0.044 0.000 2.577 93 V HA 0.177 4.297 4.120 0.001 0.000 0.303 93 V C -0.229 175.930 176.094 0.107 0.000 1.042 93 V CA -0.958 61.353 62.300 0.019 0.000 0.872 93 V CB 1.824 33.615 31.823 -0.053 0.000 0.998 93 V HN 0.514 nan 8.190 nan 0.000 0.423 94 E N 2.999 123.259 120.200 0.099 0.000 2.493 94 E HA 0.264 4.614 4.350 0.001 0.000 0.255 94 E C 1.255 177.927 176.600 0.120 0.000 0.999 94 E CA 1.197 57.656 56.400 0.098 0.000 0.934 94 E CB 0.316 30.061 29.700 0.076 0.000 0.940 94 E HN 1.137 nan 8.360 nan 0.000 0.473 95 G N 4.139 113.005 108.800 0.110 0.000 2.179 95 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 95 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 95 G C 0.022 174.984 174.900 0.103 0.000 0.977 95 G CA 0.097 45.251 45.100 0.089 0.000 0.641 95 G HN 0.597 nan 8.290 nan 0.000 0.533 96 F N 2.492 122.450 119.950 0.012 0.000 2.538 96 F HA 0.485 5.012 4.527 0.001 0.000 0.371 96 F C 0.848 176.652 175.800 0.007 0.000 1.087 96 F CA 0.089 58.091 58.000 0.003 0.000 1.250 96 F CB 0.608 39.601 39.000 -0.012 0.000 1.110 96 F HN 0.214 nan 8.300 nan 0.000 0.570 97 Q N 4.948 124.323 119.800 -0.708 0.000 2.360 97 Q HA 0.195 4.536 4.340 0.001 0.000 0.254 97 Q C -0.079 175.627 176.000 -0.489 0.000 0.975 97 Q CA -0.554 54.986 55.803 -0.438 0.000 0.912 97 Q CB 1.180 29.722 28.738 -0.326 0.000 1.212 97 Q HN 0.655 nan 8.270 nan 0.000 0.452 98 T N 2.421 116.926 114.554 -0.081 0.000 2.926 98 T HA 0.191 4.541 4.350 0.001 0.000 0.307 98 T C 0.395 175.106 174.700 0.018 0.000 1.059 98 T CA 0.060 62.212 62.100 0.087 0.000 1.122 98 T CB 0.541 69.486 68.868 0.128 0.000 0.972 98 T HN 0.660 nan 8.240 nan 0.000 0.545 99 T N -0.133 114.465 114.554 0.072 0.000 2.906 99 T HA 0.732 5.083 4.350 0.001 0.000 0.295 99 T C -0.656 174.073 174.700 0.047 0.000 1.061 99 T CA -0.921 61.226 62.100 0.079 0.000 1.000 99 T CB 1.016 69.973 68.868 0.148 0.000 1.103 99 T HN 0.447 nan 8.240 nan 0.000 0.486 100 I N 2.016 122.598 120.570 0.020 0.000 2.448 100 I HA 0.314 4.485 4.170 0.001 0.000 0.281 100 I C -0.107 175.897 176.117 -0.188 0.000 1.027 100 I CA -0.699 60.541 61.300 -0.100 0.000 1.111 100 I CB 1.898 39.844 38.000 -0.090 0.000 1.236 100 I HN 0.697 nan 8.210 nan 0.000 0.452 101 Q N 9.088 128.663 119.800 -0.375 0.000 2.322 101 Q HA 0.375 4.716 4.340 0.001 0.000 0.256 101 Q C -2.340 173.371 176.000 -0.481 0.000 0.960 101 Q CA -1.724 53.619 55.803 -0.766 0.000 0.934 101 Q CB 1.406 29.619 28.738 -0.874 0.000 1.200 101 Q HN 0.286 nan 8.270 nan 0.000 0.435 102 P HA -0.021 nan 4.420 nan 0.000 0.271 102 P C 0.439 177.622 177.300 -0.195 0.000 1.218 102 P CA 0.040 63.010 63.100 -0.218 0.000 0.780 102 P CB 1.056 32.683 31.700 -0.122 0.000 0.901 103 L N 0.859 121.993 121.223 -0.149 0.000 2.046 103 L HA -0.086 4.254 4.340 0.001 0.000 0.208 103 L C 0.987 177.814 176.870 -0.071 0.000 1.077 103 L CA 1.556 56.331 54.840 -0.108 0.000 0.747 103 L CB -0.516 41.496 42.059 -0.079 0.000 0.896 103 L HN 0.337 nan 8.230 nan 0.000 0.432 104 L N -0.771 120.418 121.223 -0.057 0.000 2.386 104 L HA 0.526 4.867 4.340 0.001 0.000 0.271 104 L C 0.082 176.937 176.870 -0.024 0.000 0.993 104 L CA -0.311 54.512 54.840 -0.027 0.000 0.819 104 L CB 1.605 43.663 42.059 -0.001 0.000 1.294 104 L HN -0.096 nan 8.230 nan 0.000 0.414 105 A N 2.676 125.494 122.820 -0.004 0.000 2.531 105 A HA 0.207 4.527 4.320 0.001 0.000 0.236 105 A C 0.074 177.667 177.584 0.015 0.000 1.062 105 A CA 0.236 52.288 52.037 0.025 0.000 0.760 105 A CB -0.203 18.826 19.000 0.048 0.000 0.995 105 A HN 0.819 nan 8.150 nan 0.000 0.501 106 N N 1.170 119.880 118.700 0.017 0.000 2.617 106 N HA 0.450 5.190 4.740 0.001 0.000 0.263 106 N C 0.658 176.172 175.510 0.007 0.000 1.074 106 N CA 0.303 53.350 53.050 -0.004 0.000 0.841 106 N CB 0.537 39.008 38.487 -0.027 0.000 1.221 106 N HN 1.186 nan 8.380 nan 0.000 0.529 107 G N 1.252 110.054 108.800 0.002 0.000 2.299 107 G HA2 -0.240 3.721 3.960 0.001 0.000 0.237 107 G HA3 -0.240 3.721 3.960 0.001 0.000 0.237 107 G C -0.204 174.714 174.900 0.030 0.000 1.027 107 G CA 0.400 45.502 45.100 0.002 0.000 0.619 107 G HN 0.768 nan 8.290 nan 0.000 0.513 108 V N 1.168 121.122 119.914 0.066 0.000 2.969 108 V HA 0.775 4.896 4.120 0.001 0.000 0.304 108 V C -0.282 175.903 176.094 0.151 0.000 1.192 108 V CA 0.795 63.162 62.300 0.111 0.000 0.962 108 V CB 2.240 34.134 31.823 0.118 0.000 1.045 108 V HN 1.303 nan 8.190 nan 0.000 0.428 109 T N 2.894 117.565 114.554 0.195 0.000 2.888 109 T HA 0.637 4.987 4.350 0.001 0.000 0.284 109 T C 0.154 174.971 174.700 0.195 0.000 1.017 109 T CA -0.772 61.422 62.100 0.156 0.000 1.022 109 T CB 1.872 70.826 68.868 0.144 0.000 1.013 109 T HN 0.756 nan 8.240 nan 0.000 0.465 110 R N 1.002 121.568 120.500 0.111 0.000 2.543 110 R HA 0.391 4.732 4.340 0.001 0.000 0.323 110 R C -0.848 175.570 176.300 0.196 0.000 1.002 110 R CA -0.338 55.812 56.100 0.083 0.000 1.106 110 R CB 0.163 30.428 30.300 -0.059 0.000 1.280 110 R HN 0.759 nan 8.270 nan 0.000 0.549 111 F N -4.040 115.952 119.950 0.070 0.000 2.740 111 F HA 0.222 4.749 4.527 0.001 0.000 0.312 111 F C -1.068 174.810 175.800 0.130 0.000 1.121 111 F CA -1.484 56.561 58.000 0.076 0.000 0.977 111 F CB 0.540 39.563 39.000 0.038 0.000 1.265 111 F HN -0.381 nan 8.300 nan 0.000 0.443 112 V N 3.623 123.727 119.914 0.317 0.000 2.493 112 V HA 0.425 4.545 4.120 0.001 0.000 0.292 112 V C 1.081 177.323 176.094 0.248 0.000 1.016 112 V CA 1.697 64.108 62.300 0.185 0.000 1.097 112 V CB 0.125 32.080 31.823 0.221 0.000 0.947 112 V HN 1.709 nan 8.190 nan 0.000 0.479 113 G N 3.601 112.417 108.800 0.028 0.000 2.231 113 G HA2 -0.191 3.770 3.960 0.001 0.000 0.206 113 G HA3 -0.191 3.770 3.960 0.001 0.000 0.206 113 G C 0.210 175.049 174.900 -0.103 0.000 0.996 113 G CA 0.112 45.265 45.100 0.089 0.000 0.645 113 G HN 0.717 nan 8.290 nan 0.000 0.498 114 E N 0.787 120.585 120.200 -0.670 0.000 2.413 114 E HA 0.394 4.744 4.350 0.001 0.000 0.263 114 E C 0.663 177.134 176.600 -0.215 0.000 1.015 114 E CA -0.491 55.480 56.400 -0.717 0.000 0.916 114 E CB 0.242 29.336 29.700 -1.011 0.000 0.947 114 E HN 0.384 nan 8.360 nan 0.000 0.440 115 I N 4.789 125.305 120.570 -0.090 0.000 2.556 115 I HA -0.042 4.128 4.170 0.001 0.000 0.284 115 I C 1.207 177.321 176.117 -0.005 0.000 1.114 115 I CA -0.187 61.100 61.300 -0.021 0.000 1.418 115 I CB 0.887 38.882 38.000 -0.009 0.000 1.394 115 I HN 0.506 nan 8.210 nan 0.000 0.552 116 V N 2.593 122.526 119.914 0.032 0.000 3.612 116 V HA 0.651 4.772 4.120 0.001 0.000 0.268 116 V C 0.491 176.615 176.094 0.050 0.000 1.365 116 V CA 0.382 62.713 62.300 0.052 0.000 1.044 116 V CB 0.224 32.112 31.823 0.108 0.000 0.820 116 V HN 0.778 nan 8.190 nan 0.000 0.444 117 A N 0.403 123.256 122.820 0.056 0.000 2.594 117 A HA 0.787 5.107 4.320 0.001 0.000 0.296 117 A C -1.006 176.618 177.584 0.067 0.000 1.061 117 A CA 0.046 52.125 52.037 0.070 0.000 0.689 117 A CB 1.808 20.845 19.000 0.062 0.000 1.280 117 A HN 1.418 nan 8.150 nan 0.000 0.406 118 V N -0.885 119.079 119.914 0.082 0.000 2.823 118 V HA 0.939 5.060 4.120 0.001 0.000 0.312 118 V C -0.696 175.403 176.094 0.009 0.000 1.072 118 V CA -0.839 61.486 62.300 0.043 0.000 0.937 118 V CB 1.428 33.268 31.823 0.028 0.000 1.013 118 V HN 0.979 nan 8.190 nan 0.000 0.430 119 V N 3.675 123.585 119.914 -0.006 0.000 2.588 119 V HA 0.600 4.720 4.120 0.001 0.000 0.304 119 V C -0.333 175.737 176.094 -0.040 0.000 1.042 119 V CA -0.538 61.746 62.300 -0.027 0.000 0.877 119 V CB 1.969 33.794 31.823 0.003 0.000 0.996 119 V HN 0.816 nan 8.190 nan 0.000 0.425 120 V N 3.922 123.786 119.914 -0.083 0.000 2.417 120 V HA 0.931 5.051 4.120 0.001 0.000 0.291 120 V C 0.287 176.365 176.094 -0.026 0.000 1.024 120 V CA -0.025 62.236 62.300 -0.065 0.000 0.861 120 V CB 1.333 33.069 31.823 -0.146 0.000 0.985 120 V HN 1.104 nan 8.190 nan 0.000 0.436 121 A N 3.183 126.021 122.820 0.029 0.000 2.552 121 A HA 0.700 5.021 4.320 0.001 0.000 0.288 121 A C 0.950 178.588 177.584 0.090 0.000 1.193 121 A CA 0.203 52.262 52.037 0.037 0.000 0.713 121 A CB 1.246 20.260 19.000 0.023 0.000 1.305 121 A HN 0.996 nan 8.150 nan 0.000 0.424 122 S N -0.280 115.458 115.700 0.063 0.000 2.442 122 S HA 0.091 4.561 4.470 0.001 0.000 0.236 122 S C 0.829 175.481 174.600 0.087 0.000 1.007 122 S CA 1.354 59.605 58.200 0.085 0.000 0.965 122 S CB -0.673 62.547 63.200 0.034 0.000 0.773 122 S HN 2.190 nan 8.310 nan 0.000 0.504 123 S N -0.679 115.003 115.700 -0.030 0.000 2.579 123 S HA 0.667 5.137 4.470 0.001 0.000 0.272 123 S C 0.074 174.532 174.600 -0.237 0.000 1.141 123 S CA -0.867 57.139 58.200 -0.323 0.000 0.843 123 S CB 1.903 64.969 63.200 -0.223 0.000 1.122 123 S HN 0.117 nan 8.310 nan 0.000 0.468 124 R N 1.397 121.675 120.500 -0.370 0.000 2.096 124 R HA 0.135 4.475 4.340 0.001 0.000 0.235 124 R C 2.201 178.466 176.300 -0.059 0.000 1.127 124 R CA 2.383 58.422 56.100 -0.100 0.000 0.968 124 R CB -1.338 28.917 30.300 -0.075 0.000 0.861 124 R HN 0.864 nan 8.270 nan 0.000 0.440 125 A N 0.549 123.315 122.820 -0.090 0.000 1.902 125 A HA -0.086 4.234 4.320 0.001 0.000 0.217 125 A C 2.306 179.870 177.584 -0.032 0.000 1.181 125 A CA 1.681 53.687 52.037 -0.051 0.000 0.623 125 A CB -0.570 18.395 19.000 -0.057 0.000 0.818 125 A HN 0.386 nan 8.150 nan 0.000 0.443 126 I N -0.436 120.110 120.570 -0.039 0.000 2.394 126 I HA -0.220 3.951 4.170 0.001 0.000 0.251 126 I C 2.906 179.021 176.117 -0.004 0.000 1.136 126 I CA 0.848 62.136 61.300 -0.019 0.000 1.425 126 I CB -0.300 37.688 38.000 -0.020 0.000 1.079 126 I HN 0.363 nan 8.210 nan 0.000 0.425 127 A N 0.575 123.397 122.820 0.003 0.000 1.933 127 A HA -0.210 4.110 4.320 0.001 0.000 0.218 127 A C 2.198 179.795 177.584 0.021 0.000 1.175 127 A CA 1.571 53.620 52.037 0.021 0.000 0.628 127 A CB -0.476 18.552 19.000 0.047 0.000 0.814 127 A HN 0.425 nan 8.150 nan 0.000 0.444 128 E N -0.185 120.026 120.200 0.017 0.000 2.106 128 E HA -0.159 4.191 4.350 0.001 0.000 0.192 128 E C 1.406 178.014 176.600 0.013 0.000 0.984 128 E CA 0.984 57.395 56.400 0.019 0.000 0.806 128 E CB -0.170 29.539 29.700 0.015 0.000 0.750 128 E HN 0.530 nan 8.360 nan 0.000 0.458 129 D N 0.810 121.213 120.400 0.005 0.000 2.092 129 D HA -0.175 4.465 4.640 0.001 0.000 0.193 129 D C 1.925 178.230 176.300 0.008 0.000 0.994 129 D CA 1.479 55.481 54.000 0.004 0.000 0.828 129 D CB -0.319 40.481 40.800 -0.001 0.000 0.963 129 D HN 0.158 nan 8.370 nan 0.000 0.450 130 A N 1.046 123.872 122.820 0.009 0.000 1.933 130 A HA -0.044 4.276 4.320 0.001 0.000 0.218 130 A C 2.322 179.916 177.584 0.016 0.000 1.175 130 A CA 2.214 54.257 52.037 0.011 0.000 0.628 130 A CB -0.682 18.323 19.000 0.008 0.000 0.814 130 A HN 0.242 nan 8.150 nan 0.000 0.444 131 A N -0.562 122.270 122.820 0.021 0.000 1.940 131 A HA -0.220 4.101 4.320 0.001 0.000 0.219 131 A C 2.023 179.623 177.584 0.027 0.000 1.176 131 A CA 1.569 53.622 52.037 0.028 0.000 0.631 131 A CB -0.540 18.480 19.000 0.034 0.000 0.814 131 A HN 0.667 nan 8.150 nan 0.000 0.446 132 Q N -0.708 119.105 119.800 0.022 0.000 2.488 132 Q HA 0.093 4.434 4.340 0.001 0.000 0.211 132 Q C 1.424 177.436 176.000 0.020 0.000 0.967 132 Q CA 0.495 56.311 55.803 0.021 0.000 0.926 132 Q CB -0.144 28.603 28.738 0.015 0.000 0.992 132 Q HN 0.672 nan 8.270 nan 0.000 0.506 133 L N 0.185 121.419 121.223 0.018 0.000 2.529 133 L HA 0.151 4.492 4.340 0.001 0.000 0.223 133 L C 0.735 177.615 176.870 0.018 0.000 1.113 133 L CA -0.143 54.707 54.840 0.016 0.000 0.861 133 L CB 0.234 42.300 42.059 0.012 0.000 1.012 133 L HN 0.150 nan 8.230 nan 0.000 0.461 134 I N 0.799 121.383 120.570 0.022 0.000 2.556 134 I HA -0.031 4.140 4.170 0.001 0.000 0.284 134 I C 0.141 176.272 176.117 0.023 0.000 1.114 134 I CA 0.346 61.660 61.300 0.022 0.000 1.418 134 I CB 0.517 38.535 38.000 0.029 0.000 1.394 134 I HN 0.175 nan 8.210 nan 0.000 0.552 135 Q N 5.687 125.494 119.800 0.011 0.000 2.325 135 Q HA 0.549 4.889 4.340 0.001 0.000 0.262 135 Q C -1.208 174.780 176.000 -0.020 0.000 0.968 135 Q CA -0.597 55.211 55.803 0.008 0.000 0.877 135 Q CB 2.489 31.229 28.738 0.004 0.000 1.253 135 Q HN 0.429 nan 8.270 nan 0.000 0.448 136 V N 2.013 121.913 119.914 -0.024 0.000 2.540 136 V HA 0.341 4.461 4.120 0.001 0.000 0.302 136 V C -0.473 175.521 176.094 -0.167 0.000 1.035 136 V CA -0.808 61.403 62.300 -0.149 0.000 0.873 136 V CB 1.914 33.605 31.823 -0.220 0.000 0.992 136 V HN 0.735 nan 8.190 nan 0.000 0.428 137 E N 3.219 123.273 120.200 -0.243 0.000 2.133 137 E HA 0.528 4.878 4.350 0.001 0.000 0.274 137 E C -1.753 174.697 176.600 -0.249 0.000 0.930 137 E CA -0.425 55.894 56.400 -0.135 0.000 0.770 137 E CB 1.168 30.824 29.700 -0.074 0.000 1.104 137 E HN 0.631 nan 8.360 nan 0.000 0.403 138 Y N 1.767 122.089 120.300 0.036 0.000 2.602 138 Y HA 0.345 4.895 4.550 0.001 0.000 0.330 138 Y C 0.081 175.902 175.900 -0.132 0.000 1.114 138 Y CA -0.810 57.276 58.100 -0.024 0.000 1.182 138 Y CB 1.756 40.236 38.460 0.034 0.000 1.305 138 Y HN 0.482 nan 8.280 nan 0.000 0.502 139 E N 1.737 121.935 120.200 -0.002 0.000 2.580 139 E HA 0.125 4.475 4.350 0.001 0.000 0.248 139 E C -1.336 175.133 176.600 -0.218 0.000 1.018 139 E CA -0.383 55.948 56.400 -0.115 0.000 0.775 139 E CB 0.803 30.456 29.700 -0.079 0.000 1.378 139 E HN 0.755 nan 8.360 nan 0.000 0.401 140 E N 4.057 124.015 120.200 -0.404 0.000 2.452 140 E HA 0.057 4.408 4.350 0.001 0.000 0.261 140 E C -0.780 175.674 176.600 -0.243 0.000 0.987 140 E CA 0.332 56.462 56.400 -0.449 0.000 0.926 140 E CB 0.596 29.958 29.700 -0.564 0.000 0.934 140 E HN 0.458 nan 8.360 nan 0.000 0.452 141 L N 5.661 126.750 121.223 -0.224 0.000 2.319 141 L HA 0.519 4.859 4.340 0.001 0.000 0.267 141 L C -2.062 174.765 176.870 -0.072 0.000 1.011 141 L CA -2.504 52.203 54.840 -0.221 0.000 0.818 141 L CB 1.728 43.477 42.059 -0.518 0.000 1.316 141 L HN 0.572 nan 8.230 nan 0.000 0.432 142 P HA 0.121 nan 4.420 nan 0.000 0.267 142 P C -1.102 176.308 177.300 0.184 0.000 1.205 142 P CA -0.050 63.092 63.100 0.069 0.000 0.765 142 P CB 1.090 32.816 31.700 0.043 0.000 0.828 143 A N 3.646 126.556 122.820 0.150 0.000 2.330 143 A HA 0.529 4.850 4.320 0.001 0.000 0.329 143 A C -0.422 177.182 177.584 0.035 0.000 1.135 143 A CA -0.758 51.362 52.037 0.137 0.000 0.817 143 A CB 1.233 20.320 19.000 0.144 0.000 1.269 143 A HN 0.344 nan 8.150 nan 0.000 0.469 144 V N 2.020 121.916 119.914 -0.029 0.000 2.368 144 V HA 0.242 4.362 4.120 0.001 0.000 0.266 144 V C 1.313 177.363 176.094 -0.074 0.000 1.045 144 V CA 0.616 62.881 62.300 -0.058 0.000 0.899 144 V CB 0.465 32.234 31.823 -0.091 0.000 1.006 144 V HN 1.087 nan 8.190 nan 0.000 0.470 145 T N 0.738 115.255 114.554 -0.062 0.000 3.086 145 T HA 0.482 4.833 4.350 0.001 0.000 0.250 145 T C 0.683 175.337 174.700 -0.076 0.000 1.074 145 T CA 0.400 62.458 62.100 -0.069 0.000 0.988 145 T CB 0.329 69.162 68.868 -0.057 0.000 0.988 145 T HN 0.973 nan 8.240 nan 0.000 0.530 146 G N -0.134 108.622 108.800 -0.073 0.000 2.349 146 G HA2 0.455 4.416 3.960 0.001 0.000 0.294 146 G HA3 0.455 4.416 3.960 0.001 0.000 0.294 146 G C 0.112 174.982 174.900 -0.050 0.000 1.380 146 G CA -0.675 44.390 45.100 -0.058 0.000 0.811 146 G HN 0.103 nan 8.290 nan 0.000 0.519 147 I N -0.035 120.514 120.570 -0.035 0.000 2.208 147 I HA -0.172 3.998 4.170 0.001 0.000 0.245 147 I C 2.625 178.725 176.117 -0.027 0.000 1.097 147 I CA 2.038 63.322 61.300 -0.027 0.000 1.363 147 I CB 0.010 38.003 38.000 -0.012 0.000 1.051 147 I HN 0.822 nan 8.210 nan 0.000 0.413 148 E N 1.202 121.387 120.200 -0.026 0.000 2.038 148 E HA -0.274 4.076 4.350 0.001 0.000 0.195 148 E C 2.272 178.853 176.600 -0.030 0.000 1.000 148 E CA 1.564 57.948 56.400 -0.026 0.000 0.803 148 E CB -0.078 29.606 29.700 -0.027 0.000 0.750 148 E HN 0.483 nan 8.360 nan 0.000 0.448 149 A N 1.055 123.853 122.820 -0.036 0.000 1.933 149 A HA -0.085 4.236 4.320 0.001 0.000 0.218 149 A C 2.376 179.937 177.584 -0.038 0.000 1.175 149 A CA 1.806 53.820 52.037 -0.038 0.000 0.628 149 A CB -0.736 18.238 19.000 -0.044 0.000 0.814 149 A HN 0.430 nan 8.150 nan 0.000 0.444 150 A N -1.084 121.710 122.820 -0.044 0.000 1.933 150 A HA 0.034 4.354 4.320 0.001 0.000 0.218 150 A C 1.957 179.518 177.584 -0.038 0.000 1.175 150 A CA 1.661 53.669 52.037 -0.048 0.000 0.628 150 A CB -0.350 18.616 19.000 -0.057 0.000 0.814 150 A HN 0.397 nan 8.150 nan 0.000 0.444 151 L N -0.698 120.507 121.223 -0.031 0.000 2.307 151 L HA 0.083 4.424 4.340 0.001 0.000 0.211 151 L C 1.806 178.663 176.870 -0.022 0.000 1.099 151 L CA 1.637 56.462 54.840 -0.024 0.000 0.816 151 L CB -0.419 41.628 42.059 -0.019 0.000 0.952 151 L HN 0.520 nan 8.230 nan 0.000 0.455 152 E N -1.782 118.405 120.200 -0.023 0.000 2.514 152 E HA 0.230 4.581 4.350 0.001 0.000 0.215 152 E C 0.984 177.572 176.600 -0.020 0.000 0.946 152 E CA 0.204 56.592 56.400 -0.020 0.000 1.038 152 E CB 0.517 30.205 29.700 -0.020 0.000 1.069 152 E HN 0.315 nan 8.360 nan 0.000 0.503 153 G N 1.283 110.070 108.800 -0.022 0.000 2.580 153 G HA2 0.022 3.982 3.960 0.001 0.000 0.278 153 G HA3 0.022 3.982 3.960 0.001 0.000 0.278 153 G C 0.331 175.222 174.900 -0.016 0.000 1.212 153 G CA -0.290 44.798 45.100 -0.020 0.000 0.939 153 G HN 0.052 nan 8.290 nan 0.000 0.513 154 E N -0.450 119.744 120.200 -0.010 0.000 2.190 154 E HA 0.205 4.555 4.350 0.001 0.000 0.191 154 E C 1.552 178.151 176.600 -0.001 0.000 0.978 154 E CA 0.235 56.631 56.400 -0.006 0.000 0.839 154 E CB 0.044 29.742 29.700 -0.003 0.000 0.787 154 E HN 0.561 nan 8.360 nan 0.000 0.473 155 A N 1.494 124.317 122.820 0.004 0.000 2.483 155 A HA 0.162 4.482 4.320 0.001 0.000 0.238 155 A C 0.054 177.639 177.584 0.002 0.000 1.070 155 A CA 0.077 52.126 52.037 0.020 0.000 0.770 155 A CB 0.340 19.361 19.000 0.034 0.000 1.008 155 A HN 0.275 nan 8.150 nan 0.000 0.497 156 R N 2.126 122.633 120.500 0.013 0.000 2.393 156 R HA 0.515 4.856 4.340 0.001 0.000 0.315 156 R C 0.875 177.118 176.300 -0.095 0.000 0.952 156 R CA 0.095 56.177 56.100 -0.029 0.000 0.842 156 R CB 1.220 31.514 30.300 -0.011 0.000 1.163 156 R HN 0.817 nan 8.270 nan 0.000 0.450 157 A N 3.972 126.694 122.820 -0.163 0.000 1.877 157 A HA -0.163 4.157 4.320 0.001 0.000 0.216 157 A C 0.789 178.152 177.584 -0.368 0.000 1.186 157 A CA 1.438 53.298 52.037 -0.295 0.000 0.620 157 A CB -0.336 18.522 19.000 -0.237 0.000 0.822 157 A HN 0.799 nan 8.150 nan 0.000 0.443 158 N N -0.368 118.192 118.700 -0.233 0.000 2.524 158 N HA 0.282 5.023 4.740 0.001 0.000 0.261 158 N C -0.342 175.122 175.510 -0.078 0.000 0.998 158 N CA -0.031 52.908 53.050 -0.185 0.000 0.915 158 N CB 1.025 39.387 38.487 -0.208 0.000 1.187 158 N HN 0.245 nan 8.380 nan 0.000 0.507 159 D N 1.263 121.654 120.400 -0.016 0.000 2.384 159 D HA -0.175 4.466 4.640 0.001 0.000 0.222 159 D C 1.437 177.745 176.300 0.013 0.000 0.976 159 D CA 1.063 55.076 54.000 0.021 0.000 0.915 159 D CB -0.208 40.632 40.800 0.067 0.000 0.896 159 D HN 0.548 nan 8.370 nan 0.000 0.523 160 T N -2.539 112.022 114.554 0.013 0.000 3.129 160 T HA 0.177 4.528 4.350 0.001 0.000 0.251 160 T C 0.812 175.509 174.700 -0.005 0.000 1.117 160 T CA -0.286 61.822 62.100 0.014 0.000 1.034 160 T CB -0.249 68.640 68.868 0.036 0.000 0.968 160 T HN 0.110 nan 8.240 nan 0.000 0.526 161 L N 0.731 121.939 121.223 -0.024 0.000 2.332 161 L HA 0.754 5.095 4.340 0.001 0.000 0.269 161 L C 0.187 177.035 176.870 -0.038 0.000 1.016 161 L CA -1.584 53.230 54.840 -0.043 0.000 0.809 161 L CB 1.296 43.312 42.059 -0.073 0.000 1.280 161 L HN 0.043 nan 8.230 nan 0.000 0.447 162 A N 1.271 124.066 122.820 -0.043 0.000 2.582 162 A HA 0.646 4.966 4.320 0.001 0.000 0.336 162 A C 0.431 177.990 177.584 -0.041 0.000 1.445 162 A CA 0.211 52.228 52.037 -0.033 0.000 0.997 162 A CB -0.454 18.530 19.000 -0.027 0.000 1.148 162 A HN 0.964 nan 8.150 nan 0.000 0.514 163 G N 1.938 110.715 108.800 -0.039 0.000 2.796 163 G HA2 -0.202 3.759 3.960 0.001 0.000 0.571 163 G HA3 -0.202 3.759 3.960 0.001 0.000 0.571 163 G C 0.196 175.060 174.900 -0.060 0.000 1.370 163 G CA -0.140 44.934 45.100 -0.042 0.000 0.856 163 G HN 0.604 nan 8.290 nan 0.000 0.538 164 N N -1.088 117.576 118.700 -0.060 0.000 2.353 164 N HA 0.072 4.812 4.740 0.001 0.000 0.185 164 N C 0.947 176.411 175.510 -0.076 0.000 1.098 164 N CA 0.662 53.667 53.050 -0.075 0.000 0.872 164 N CB 0.631 39.075 38.487 -0.070 0.000 0.970 164 N HN 0.467 nan 8.380 nan 0.000 0.467 165 V N 2.163 122.039 119.914 -0.065 0.000 2.370 165 V HA 0.050 4.170 4.120 0.001 0.000 0.257 165 V C 1.680 177.716 176.094 -0.096 0.000 1.064 165 V CA -0.038 62.227 62.300 -0.060 0.000 0.975 165 V CB 0.923 32.725 31.823 -0.035 0.000 1.067 165 V HN -0.084 nan 8.190 nan 0.000 0.485 166 V N 3.465 123.304 119.914 -0.126 0.000 2.453 166 V HA -0.031 4.090 4.120 0.001 0.000 0.247 166 V C 1.065 177.001 176.094 -0.263 0.000 1.048 166 V CA 1.776 63.929 62.300 -0.244 0.000 1.049 166 V CB 0.329 32.002 31.823 -0.249 0.000 0.672 166 V HN 0.812 nan 8.190 nan 0.000 0.457 167 S N -1.057 114.597 115.700 -0.078 0.000 2.535 167 S HA 0.655 5.126 4.470 0.001 0.000 0.272 167 S C -1.019 173.634 174.600 0.088 0.000 1.149 167 S CA -0.813 57.417 58.200 0.050 0.000 0.888 167 S CB 1.739 65.074 63.200 0.225 0.000 1.110 167 S HN 0.381 nan 8.310 nan 0.000 0.463 168 R N 2.506 123.070 120.500 0.107 0.000 2.512 168 R HA 0.612 4.953 4.340 0.001 0.000 0.291 168 R C -1.660 174.708 176.300 0.113 0.000 1.097 168 R CA -0.223 55.932 56.100 0.093 0.000 0.940 168 R CB 1.580 31.911 30.300 0.052 0.000 1.198 168 R HN 0.672 nan 8.270 nan 0.000 0.429 169 T N 1.217 115.843 114.554 0.120 0.000 2.909 169 T HA 0.422 4.773 4.350 0.001 0.000 0.299 169 T C -1.382 173.340 174.700 0.036 0.000 1.073 169 T CA -0.715 61.444 62.100 0.098 0.000 0.999 169 T CB 1.824 70.788 68.868 0.160 0.000 1.098 169 T HN 0.353 nan 8.240 nan 0.000 0.477 170 S N 0.632 116.344 115.700 0.020 0.000 2.776 170 S HA 0.375 4.846 4.470 0.001 0.000 0.284 170 S C 0.333 174.931 174.600 -0.004 0.000 1.160 170 S CA -0.715 57.487 58.200 0.003 0.000 1.051 170 S CB 0.755 63.964 63.200 0.015 0.000 1.037 170 S HN 0.657 nan 8.310 nan 0.000 0.485 171 R N 2.315 122.800 120.500 -0.026 0.000 2.280 171 R HA 0.429 4.770 4.340 0.001 0.000 0.195 171 R C 0.404 176.702 176.300 -0.003 0.000 0.935 171 R CA 0.748 56.833 56.100 -0.024 0.000 1.033 171 R CB 0.585 30.846 30.300 -0.064 0.000 0.964 171 R HN 0.551 nan 8.270 nan 0.000 0.489 172 A N 0.568 123.392 122.820 0.006 0.000 2.408 172 A HA 0.514 4.835 4.320 0.001 0.000 0.295 172 A C -0.592 177.008 177.584 0.027 0.000 1.040 172 A CA -0.724 51.326 52.037 0.021 0.000 0.707 172 A CB 1.231 20.250 19.000 0.031 0.000 1.235 172 A HN 0.074 nan 8.150 nan 0.000 0.418 173 R N 2.088 122.606 120.500 0.030 0.000 2.772 173 R HA 0.161 4.501 4.340 0.001 0.000 0.358 173 R C -1.210 175.112 176.300 0.038 0.000 1.143 173 R CA -0.440 55.679 56.100 0.032 0.000 1.153 173 R CB 0.534 30.849 30.300 0.025 0.000 1.329 173 R HN 0.777 nan 8.270 nan 0.000 0.615 174 D N 1.353 121.782 120.400 0.047 0.000 2.382 174 D HA -0.045 4.596 4.640 0.001 0.000 0.240 174 D C 0.395 176.730 176.300 0.059 0.000 1.146 174 D CA 0.343 54.373 54.000 0.051 0.000 0.897 174 D CB 0.988 41.824 40.800 0.059 0.000 1.197 174 D HN -0.011 nan 8.370 nan 0.000 0.432 175 E N 1.211 121.444 120.200 0.054 0.000 2.129 175 E HA 0.098 4.448 4.350 0.001 0.000 0.283 175 E C 0.067 176.718 176.600 0.085 0.000 1.080 175 E CA 0.084 56.519 56.400 0.059 0.000 0.867 175 E CB 0.103 29.829 29.700 0.044 0.000 1.056 175 E HN 0.376 nan 8.360 nan 0.000 0.404 176 L N 3.471 124.768 121.223 0.124 0.000 2.609 176 L HA 0.272 4.613 4.340 0.001 0.000 0.230 176 L C 1.945 178.985 176.870 0.283 0.000 1.087 176 L CA 0.450 55.423 54.840 0.221 0.000 0.874 176 L CB -0.249 42.025 42.059 0.359 0.000 1.114 176 L HN 0.600 nan 8.230 nan 0.000 0.488 177 A N 2.179 125.099 122.820 0.166 0.000 1.884 177 A HA -0.168 4.152 4.320 0.001 0.000 0.219 177 A C 0.101 177.769 177.584 0.139 0.000 1.197 177 A CA 2.174 54.292 52.037 0.135 0.000 0.637 177 A CB -1.882 17.153 19.000 0.058 0.000 0.827 177 A HN 0.298 nan 8.150 nan 0.000 0.450 178 P HA -0.110 nan 4.420 nan 0.000 0.220 178 P C 1.526 178.853 177.300 0.046 0.000 1.148 178 P CA 1.059 64.194 63.100 0.058 0.000 0.803 178 P CB -0.180 31.543 31.700 0.038 0.000 0.782 179 I N -1.608 118.992 120.570 0.049 0.000 2.202 179 I HA -0.200 3.970 4.170 0.001 0.000 0.242 179 I C 2.378 178.424 176.117 -0.117 0.000 1.091 179 I CA 1.380 62.648 61.300 -0.052 0.000 1.368 179 I CB -0.738 37.201 38.000 -0.103 0.000 1.058 179 I HN -0.205 nan 8.210 nan 0.000 0.410 180 F N 0.969 120.901 119.950 -0.029 0.000 2.293 180 F HA -0.135 4.393 4.527 0.001 0.000 0.300 180 F C 2.518 178.287 175.800 -0.052 0.000 1.086 180 F CA 1.187 59.160 58.000 -0.046 0.000 1.375 180 F CB -0.469 38.512 39.000 -0.032 0.000 1.045 180 F HN 0.004 nan 8.300 nan 0.000 0.516 181 A N -1.565 121.327 122.820 0.121 0.000 2.016 181 A HA -0.035 4.286 4.320 0.001 0.000 0.217 181 A C 2.125 179.713 177.584 0.006 0.000 1.162 181 A CA 1.678 53.749 52.037 0.057 0.000 0.662 181 A CB -0.455 18.574 19.000 0.049 0.000 0.812 181 A HN 0.255 nan 8.150 nan 0.000 0.450 182 S N -0.351 115.337 115.700 -0.019 0.000 2.526 182 S HA 0.106 4.577 4.470 0.001 0.000 0.220 182 S C 0.867 175.421 174.600 -0.076 0.000 1.017 182 S CA 0.242 58.418 58.200 -0.040 0.000 0.930 182 S CB 0.053 63.237 63.200 -0.028 0.000 0.856 182 S HN 0.703 nan 8.310 nan 0.000 0.497 183 S N 1.893 117.517 115.700 -0.126 0.000 2.573 183 S HA 0.461 4.931 4.470 0.001 0.000 0.277 183 S C 1.423 175.907 174.600 -0.194 0.000 1.346 183 S CA -0.039 58.050 58.200 -0.185 0.000 1.034 183 S CB 0.921 63.939 63.200 -0.304 0.000 0.879 183 S HN 0.313 nan 8.310 nan 0.000 0.528 184 A N 2.927 125.636 122.820 -0.186 0.000 1.933 184 A HA 0.354 4.675 4.320 0.001 0.000 0.218 184 A C 1.218 178.644 177.584 -0.263 0.000 1.175 184 A CA 1.097 53.042 52.037 -0.155 0.000 0.628 184 A CB -1.069 17.884 19.000 -0.078 0.000 0.814 184 A HN 1.406 nan 8.150 nan 0.000 0.444 185 G N -2.678 105.768 108.800 -0.590 0.000 2.660 185 G HA2 0.536 4.496 3.960 0.001 0.000 0.294 185 G HA3 0.536 4.496 3.960 0.001 0.000 0.294 185 G C -1.622 172.555 174.900 -1.205 0.000 1.369 185 G CA -0.244 44.279 45.100 -0.961 0.000 0.912 185 G HN 0.452 nan 8.290 nan 0.000 0.479 186 V N 0.020 119.570 119.914 -0.607 0.000 2.932 186 V HA 0.716 4.837 4.120 0.001 0.000 0.307 186 V C -0.481 175.708 176.094 0.158 0.000 1.147 186 V CA -0.686 61.514 62.300 -0.168 0.000 0.951 186 V CB 2.000 33.849 31.823 0.045 0.000 1.031 186 V HN 1.264 nan 8.190 nan 0.000 0.426 187 V N 2.228 122.329 119.914 0.311 0.000 2.760 187 V HA 0.843 4.963 4.120 0.001 0.000 0.309 187 V C -0.806 175.419 176.094 0.218 0.000 1.077 187 V CA -0.785 61.671 62.300 0.260 0.000 0.910 187 V CB 2.136 34.124 31.823 0.274 0.000 1.008 187 V HN 0.926 nan 8.190 nan 0.000 0.424 188 R N 2.277 122.861 120.500 0.140 0.000 2.774 188 R HA 0.921 5.261 4.340 0.001 0.000 0.272 188 R C -0.402 175.928 176.300 0.050 0.000 1.000 188 R CA -0.585 55.576 56.100 0.102 0.000 0.906 188 R CB 2.626 32.944 30.300 0.030 0.000 1.227 188 R HN 1.226 nan 8.270 nan 0.000 0.468 189 G N 0.456 109.285 108.800 0.049 0.000 2.720 189 G HA2 0.302 4.262 3.960 0.001 0.000 0.295 189 G HA3 0.302 4.262 3.960 0.001 0.000 0.295 189 G C -1.466 173.334 174.900 -0.167 0.000 1.437 189 G CA -0.652 44.331 45.100 -0.195 0.000 0.886 189 G HN 0.370 nan 8.290 nan 0.000 0.509 190 Q N 1.366 120.978 119.800 -0.313 0.000 2.560 190 Q HA 0.342 4.683 4.340 0.001 0.000 0.238 190 Q C -0.950 174.923 176.000 -0.212 0.000 1.079 190 Q CA -0.363 55.353 55.803 -0.146 0.000 0.866 190 Q CB 1.216 29.888 28.738 -0.110 0.000 1.153 190 Q HN 0.437 nan 8.270 nan 0.000 0.530 191 F N 0.837 120.787 119.950 -0.000 0.000 2.418 191 F HA 0.318 4.845 4.527 0.001 0.000 0.341 191 F C 0.883 176.690 175.800 0.011 0.000 1.120 191 F CA -0.028 57.976 58.000 0.007 0.000 1.232 191 F CB 1.407 40.414 39.000 0.012 0.000 1.175 191 F HN 0.200 nan 8.300 nan 0.000 0.569 192 S N 1.830 117.641 115.700 0.186 0.000 2.546 192 S HA 0.671 5.142 4.470 0.001 0.000 0.272 192 S C -1.496 173.173 174.600 0.115 0.000 1.140 192 S CA -0.618 57.653 58.200 0.118 0.000 0.920 192 S CB 0.698 63.934 63.200 0.060 0.000 1.083 192 S HN 0.699 nan 8.310 nan 0.000 0.476 193 C N 3.393 122.754 119.300 0.101 0.000 2.455 193 C HA 0.873 5.333 4.460 0.001 0.000 0.320 193 C C 1.244 176.286 174.990 0.085 0.000 1.226 193 C CA -0.659 58.417 59.018 0.095 0.000 1.569 193 C CB 0.560 28.359 27.740 0.098 0.000 2.200 193 C HN 1.034 nan 8.230 nan 0.000 0.491 194 G N 1.613 110.462 108.800 0.081 0.000 2.580 194 G HA2 0.492 4.453 3.960 0.001 0.000 0.278 194 G HA3 0.492 4.453 3.960 0.001 0.000 0.278 194 G C -0.329 174.629 174.900 0.097 0.000 1.212 194 G CA -0.552 44.596 45.100 0.079 0.000 0.939 194 G HN 0.785 nan 8.290 nan 0.000 0.513 195 R N -1.487 119.069 120.500 0.094 0.000 2.641 195 R HA 0.428 4.769 4.340 0.001 0.000 0.269 195 R C 0.091 176.453 176.300 0.103 0.000 1.074 195 R CA -0.146 56.013 56.100 0.099 0.000 1.133 195 R CB 1.178 31.515 30.300 0.062 0.000 1.029 195 R HN 0.453 nan 8.270 nan 0.000 0.488 196 V N -2.201 117.792 119.914 0.132 0.000 3.181 196 V HA 0.655 4.776 4.120 0.001 0.000 0.308 196 V C -0.740 175.381 176.094 0.044 0.000 1.214 196 V CA -0.908 61.505 62.300 0.189 0.000 1.053 196 V CB 2.084 34.051 31.823 0.240 0.000 1.069 196 V HN 0.692 nan 8.190 nan 0.000 0.441 197 S N 0.313 115.974 115.700 -0.065 0.000 2.532 197 S HA 0.752 5.223 4.470 0.001 0.000 0.301 197 S C 1.107 175.413 174.600 -0.490 0.000 1.083 197 S CA 0.036 58.093 58.200 -0.238 0.000 1.025 197 S CB 1.694 64.692 63.200 -0.335 0.000 1.056 197 S HN 1.862 nan 8.310 nan 0.000 0.494 198 A N 2.548 125.013 122.820 -0.591 0.000 2.019 198 A HA 0.026 4.346 4.320 0.001 0.000 0.219 198 A C 1.646 179.088 177.584 -0.236 0.000 1.164 198 A CA 1.127 52.774 52.037 -0.649 0.000 0.644 198 A CB -1.616 17.352 19.000 -0.055 0.000 0.805 198 A HN 1.815 nan 8.150 nan 0.000 0.449 199 C N -0.054 119.113 119.300 -0.222 0.000 3.563 199 C HA -0.079 4.382 4.460 0.001 0.000 0.284 199 C C -1.606 173.373 174.990 -0.018 0.000 1.356 199 C CA -0.570 58.340 59.018 -0.180 0.000 2.166 199 C CB -2.256 25.449 27.740 -0.058 0.000 1.399 199 C HN 0.576 nan 8.230 nan 0.000 0.583 200 P HA 0.129 nan 4.420 nan 0.000 0.274 200 P C 1.086 178.436 177.300 0.083 0.000 1.231 200 P CA 0.003 63.247 63.100 0.240 0.000 0.790 200 P CB 0.498 32.349 31.700 0.251 0.000 0.951 201 M N -0.148 119.511 119.600 0.099 0.000 2.213 201 M HA -0.067 4.413 4.480 0.001 0.000 0.263 201 M C 1.064 177.340 176.300 -0.041 0.000 1.062 201 M CA 1.416 56.726 55.300 0.017 0.000 1.105 201 M CB -0.945 31.666 32.600 0.017 0.000 1.385 201 M HN 0.488 nan 8.290 nan 0.000 0.417 202 E N 1.717 121.892 120.200 -0.041 0.000 2.174 202 E HA 0.186 4.537 4.350 0.001 0.000 0.282 202 E C -0.298 176.252 176.600 -0.082 0.000 0.992 202 E CA -0.236 56.111 56.400 -0.089 0.000 0.803 202 E CB 1.402 31.047 29.700 -0.091 0.000 1.090 202 E HN 0.270 nan 8.360 nan 0.000 0.396 203 T N 1.905 116.381 114.554 -0.130 0.000 2.729 203 T HA 0.294 4.644 4.350 0.001 0.000 0.298 203 T C 0.606 175.185 174.700 -0.203 0.000 1.013 203 T CA -0.627 61.372 62.100 -0.168 0.000 0.957 203 T CB 0.584 69.331 68.868 -0.202 0.000 1.130 203 T HN 0.455 nan 8.240 nan 0.000 0.526 204 R N -0.447 119.886 120.500 -0.277 0.000 2.615 204 R HA 0.604 4.945 4.340 0.001 0.000 0.270 204 R C 0.441 176.287 176.300 -0.758 0.000 1.081 204 R CA -0.191 55.688 56.100 -0.369 0.000 1.154 204 R CB 0.565 30.672 30.300 -0.322 0.000 1.063 204 R HN 0.988 nan 8.270 nan 0.000 0.519 205 G N -0.793 107.630 108.800 -0.629 0.000 2.632 205 G HA2 0.598 4.559 3.960 0.001 0.000 0.292 205 G HA3 0.598 4.559 3.960 0.001 0.000 0.292 205 G C -1.981 172.890 174.900 -0.049 0.000 1.465 205 G CA -0.196 44.505 45.100 -0.664 0.000 0.824 205 G HN 0.706 nan 8.290 nan 0.000 0.509 206 A N -0.533 122.404 122.820 0.195 0.000 2.605 206 A HA 0.841 5.161 4.320 0.001 0.000 0.294 206 A C -1.625 176.145 177.584 0.311 0.000 1.062 206 A CA -0.544 51.711 52.037 0.364 0.000 0.682 206 A CB 1.793 21.119 19.000 0.543 0.000 1.278 206 A HN 1.754 nan 8.150 nan 0.000 0.410 207 V N 0.672 120.765 119.914 0.298 0.000 2.623 207 V HA 0.756 4.876 4.120 0.001 0.000 0.304 207 V C 0.216 176.535 176.094 0.375 0.000 1.054 207 V CA -0.091 62.352 62.300 0.239 0.000 0.882 207 V CB 1.511 33.373 31.823 0.065 0.000 1.002 207 V HN 1.692 nan 8.190 nan 0.000 0.424 208 A N 3.905 126.892 122.820 0.278 0.000 2.337 208 A HA 0.865 5.185 4.320 0.001 0.000 0.329 208 A C -0.594 177.161 177.584 0.285 0.000 1.146 208 A CA -0.607 51.601 52.037 0.285 0.000 0.800 208 A CB 1.633 20.748 19.000 0.193 0.000 1.220 208 A HN 0.814 nan 8.150 nan 0.000 0.472 209 Q N 1.485 121.478 119.800 0.321 0.000 2.337 209 Q HA 0.428 4.768 4.340 0.001 0.000 0.264 209 Q C -2.244 173.885 176.000 0.215 0.000 1.007 209 Q CA -0.421 55.550 55.803 0.281 0.000 0.727 209 Q CB 1.263 30.235 28.738 0.391 0.000 1.256 209 Q HN 0.759 nan 8.270 nan 0.000 0.467 210 Y N 2.440 122.803 120.300 0.104 0.000 2.330 210 Y HA 0.413 4.964 4.550 0.001 0.000 0.336 210 Y C -0.872 175.088 175.900 0.100 0.000 1.036 210 Y CA -0.572 57.580 58.100 0.086 0.000 1.125 210 Y CB 1.516 40.030 38.460 0.091 0.000 1.194 210 Y HN 0.587 nan 8.280 nan 0.000 0.469 211 E N 7.149 127.029 120.200 -0.533 0.000 2.141 211 E HA 0.117 4.467 4.350 0.001 0.000 0.259 211 E C 0.235 176.570 176.600 -0.441 0.000 0.883 211 E CA -0.732 55.471 56.400 -0.329 0.000 0.744 211 E CB 0.009 29.546 29.700 -0.272 0.000 1.150 211 E HN 0.770 nan 8.360 nan 0.000 0.420 212 W N 4.281 125.490 121.300 -0.152 0.000 2.392 212 W HA -0.143 4.518 4.660 0.001 0.000 0.279 212 W C 0.847 177.344 176.519 -0.037 0.000 1.225 212 W CA 1.684 59.033 57.345 0.007 0.000 1.233 212 W CB -1.135 28.421 29.460 0.160 0.000 1.122 212 W HN 0.538 nan 8.180 nan 0.000 0.561 213 T N -0.872 113.154 114.554 -0.880 0.000 3.072 213 T HA -0.111 4.239 4.350 0.001 0.000 0.266 213 T C 1.523 175.996 174.700 -0.378 0.000 1.127 213 T CA 1.936 63.522 62.100 -0.857 0.000 1.107 213 T CB -0.679 67.623 68.868 -0.943 0.000 0.910 213 T HN 0.281 nan 8.240 nan 0.000 0.513 214 T N -2.601 111.773 114.554 -0.300 0.000 2.986 214 T HA 0.274 4.625 4.350 0.001 0.000 0.264 214 T C 0.771 175.361 174.700 -0.184 0.000 0.964 214 T CA -0.025 61.949 62.100 -0.209 0.000 0.895 214 T CB -0.198 68.546 68.868 -0.207 0.000 1.163 214 T HN 0.374 nan 8.240 nan 0.000 0.517 215 Q N 0.683 120.348 119.800 -0.225 0.000 2.481 215 Q HA -0.180 4.161 4.340 0.001 0.000 0.258 215 Q C -0.617 175.211 176.000 -0.288 0.000 0.961 215 Q CA 0.683 56.377 55.803 -0.183 0.000 1.121 215 Q CB -1.591 27.156 28.738 0.015 0.000 1.503 215 Q HN 0.722 nan 8.270 nan 0.000 0.544 216 Q N 0.358 119.917 119.800 -0.402 0.000 2.245 216 Q HA 0.648 4.989 4.340 0.001 0.000 0.256 216 Q C -0.846 174.962 176.000 -0.320 0.000 0.942 216 Q CA -0.714 54.917 55.803 -0.287 0.000 0.896 216 Q CB 1.699 30.308 28.738 -0.213 0.000 1.272 216 Q HN 0.204 nan 8.270 nan 0.000 0.442 217 L N 2.865 124.016 121.223 -0.120 0.000 2.362 217 L HA 0.570 4.910 4.340 0.001 0.000 0.275 217 L C -1.568 175.262 176.870 -0.066 0.000 0.998 217 L CA -0.272 54.571 54.840 0.006 0.000 0.820 217 L CB 1.335 43.502 42.059 0.180 0.000 1.270 217 L HN 0.581 nan 8.230 nan 0.000 0.415 218 I N 5.887 126.407 120.570 -0.084 0.000 2.389 218 I HA 0.368 4.538 4.170 0.001 0.000 0.288 218 I C -1.213 174.786 176.117 -0.197 0.000 0.999 218 I CA -0.745 60.386 61.300 -0.281 0.000 1.129 218 I CB 1.896 39.575 38.000 -0.535 0.000 1.288 218 I HN 0.486 nan 8.210 nan 0.000 0.444 219 L N 7.288 128.386 121.223 -0.209 0.000 2.316 219 L HA 0.480 4.820 4.340 0.001 0.000 0.280 219 L C -1.232 175.619 176.870 -0.032 0.000 1.006 219 L CA -0.183 54.655 54.840 -0.004 0.000 0.836 219 L CB 0.955 43.034 42.059 0.034 0.000 1.221 219 L HN 0.449 nan 8.230 nan 0.000 0.418 220 W N 4.633 125.971 121.300 0.064 0.000 2.338 220 W HA 0.524 5.184 4.660 0.001 0.000 0.307 220 W C 0.108 176.682 176.519 0.092 0.000 1.167 220 W CA -0.437 56.944 57.345 0.061 0.000 1.208 220 W CB 1.876 31.366 29.460 0.049 0.000 1.228 220 W HN 0.521 nan 8.180 nan 0.000 0.499 221 T N 1.257 115.979 114.554 0.280 0.000 2.982 221 T HA 0.492 4.843 4.350 0.001 0.000 0.321 221 T C -0.874 173.949 174.700 0.205 0.000 1.229 221 T CA -0.520 61.731 62.100 0.252 0.000 1.044 221 T CB 1.078 70.095 68.868 0.248 0.000 1.184 221 T HN 0.406 nan 8.240 nan 0.000 0.477 222 A N 3.622 126.558 122.820 0.193 0.000 2.906 222 A HA 0.551 4.871 4.320 0.001 0.000 0.289 222 A C 0.637 178.334 177.584 0.189 0.000 1.675 222 A CA -0.043 52.088 52.037 0.157 0.000 1.372 222 A CB -0.858 18.210 19.000 0.114 0.000 1.091 222 A HN 0.795 nan 8.150 nan 0.000 0.579 223 T N 0.244 114.901 114.554 0.172 0.000 2.924 223 T HA 0.412 4.762 4.350 0.001 0.000 0.291 223 T C 0.687 175.473 174.700 0.144 0.000 1.045 223 T CA -0.434 61.775 62.100 0.181 0.000 1.015 223 T CB 1.285 70.257 68.868 0.173 0.000 1.103 223 T HN 0.596 nan 8.240 nan 0.000 0.496 224 Q N 1.777 121.671 119.800 0.157 0.000 2.356 224 Q HA 0.330 4.670 4.340 0.001 0.000 0.205 224 Q C 0.005 176.115 176.000 0.183 0.000 0.901 224 Q CA 0.328 56.226 55.803 0.158 0.000 0.938 224 Q CB 0.421 29.265 28.738 0.175 0.000 1.081 224 Q HN 0.551 nan 8.270 nan 0.000 0.517 225 M N 1.317 121.016 119.600 0.165 0.000 2.720 225 M HA 0.208 4.688 4.480 0.001 0.000 0.250 225 M C -2.110 174.265 176.300 0.125 0.000 1.280 225 M CA -1.451 53.943 55.300 0.157 0.000 0.579 225 M CB 1.421 34.087 32.600 0.111 0.000 1.469 225 M HN -0.152 nan 8.290 nan 0.000 0.416 226 P HA -0.129 nan 4.420 nan 0.000 0.215 226 P C 1.082 178.333 177.300 -0.082 0.000 1.153 226 P CA 1.636 64.737 63.100 0.002 0.000 0.853 226 P CB 0.220 31.917 31.700 -0.005 0.000 0.788 227 S N -0.562 115.032 115.700 -0.176 0.000 2.382 227 S HA -0.135 4.335 4.470 0.001 0.000 0.228 227 S C 1.674 176.092 174.600 -0.304 0.000 1.027 227 S CA 1.014 58.963 58.200 -0.419 0.000 0.991 227 S CB -1.202 61.407 63.200 -0.986 0.000 0.823 227 S HN 0.155 nan 8.310 nan 0.000 0.469 228 F N 2.662 122.402 119.950 -0.351 0.000 2.102 228 F HA -0.108 4.419 4.527 0.001 0.000 0.298 228 F C 2.075 177.741 175.800 -0.224 0.000 1.105 228 F CA 1.026 58.835 58.000 -0.319 0.000 1.239 228 F CB -0.678 38.110 39.000 -0.353 0.000 0.991 228 F HN -0.035 nan 8.300 nan 0.000 0.474 229 V N 1.543 121.274 119.914 -0.304 0.000 2.295 229 V HA -0.307 3.813 4.120 0.001 0.000 0.246 229 V C 2.659 178.572 176.094 -0.302 0.000 1.049 229 V CA 2.308 64.390 62.300 -0.363 0.000 1.024 229 V CB -0.917 30.842 31.823 -0.107 0.000 0.648 229 V HN 0.390 nan 8.190 nan 0.000 0.447 230 R N 0.030 120.411 120.500 -0.199 0.000 2.083 230 R HA -0.196 4.144 4.340 0.001 0.000 0.237 230 R C 2.322 178.522 176.300 -0.167 0.000 1.137 230 R CA 2.343 58.358 56.100 -0.142 0.000 0.951 230 R CB -0.606 29.642 30.300 -0.086 0.000 0.851 230 R HN 0.540 nan 8.270 nan 0.000 0.434 231 T N 1.147 115.591 114.554 -0.183 0.000 2.788 231 T HA -0.111 4.240 4.350 0.001 0.000 0.268 231 T C 1.772 176.248 174.700 -0.373 0.000 1.044 231 T CA 1.385 63.371 62.100 -0.191 0.000 1.139 231 T CB -0.042 68.766 68.868 -0.100 0.000 0.867 231 T HN 0.175 nan 8.240 nan 0.000 0.454 232 M N 0.801 120.061 119.600 -0.567 0.000 2.200 232 M HA 0.050 4.531 4.480 0.001 0.000 0.265 232 M C 2.452 178.415 176.300 -0.561 0.000 1.066 232 M CA 0.791 55.614 55.300 -0.795 0.000 1.127 232 M CB -1.382 30.669 32.600 -0.915 0.000 1.379 232 M HN 0.126 nan 8.290 nan 0.000 0.420 233 V N 0.674 120.398 119.914 -0.316 0.000 2.343 233 V HA -0.221 3.899 4.120 0.001 0.000 0.247 233 V C 2.729 178.745 176.094 -0.130 0.000 1.051 233 V CA 1.757 63.968 62.300 -0.148 0.000 1.036 233 V CB -1.318 30.451 31.823 -0.091 0.000 0.654 233 V HN 0.465 nan 8.190 nan 0.000 0.451 234 A N -0.380 122.346 122.820 -0.158 0.000 1.883 234 A HA -0.246 4.074 4.320 0.001 0.000 0.217 234 A C 2.251 179.759 177.584 -0.127 0.000 1.186 234 A CA 2.343 54.315 52.037 -0.109 0.000 0.624 234 A CB -0.432 18.512 19.000 -0.093 0.000 0.822 234 A HN 0.493 nan 8.150 nan 0.000 0.444 235 M N -1.786 117.663 119.600 -0.252 0.000 2.123 235 M HA 0.011 4.491 4.480 0.001 0.000 0.263 235 M C 2.002 178.249 176.300 -0.089 0.000 1.069 235 M CA 1.438 56.586 55.300 -0.253 0.000 1.133 235 M CB -0.561 31.757 32.600 -0.470 0.000 1.356 235 M HN 0.494 nan 8.290 nan 0.000 0.415 236 F N -0.838 119.063 119.950 -0.082 0.000 2.558 236 F HA -0.109 4.419 4.527 0.001 0.000 0.298 236 F C 1.962 177.722 175.800 -0.067 0.000 1.119 236 F CA -0.101 57.852 58.000 -0.078 0.000 1.451 236 F CB -0.065 38.877 39.000 -0.096 0.000 1.091 236 F HN 0.223 nan 8.300 nan 0.000 0.563 237 C N -0.254 119.101 119.300 0.092 0.000 3.183 237 C HA 0.599 5.059 4.460 0.001 0.000 0.285 237 C C 1.396 176.394 174.990 0.012 0.000 1.313 237 C CA -0.179 58.862 59.018 0.039 0.000 1.711 237 C CB -0.780 26.973 27.740 0.021 0.000 2.135 237 C HN 0.439 nan 8.230 nan 0.000 0.651 238 A N 1.133 123.960 122.820 0.012 0.000 2.610 238 A HA -0.203 4.117 4.320 0.001 0.000 0.299 238 A C -0.128 177.459 177.584 0.005 0.000 1.487 238 A CA 0.803 52.843 52.037 0.004 0.000 0.743 238 A CB -2.169 16.834 19.000 0.006 0.000 1.070 238 A HN 0.678 nan 8.150 nan 0.000 0.439 239 I N 1.209 121.780 120.570 0.003 0.000 2.433 239 I HA 0.364 4.534 4.170 0.001 0.000 0.292 239 I C -1.928 174.199 176.117 0.018 0.000 1.001 239 I CA -2.577 58.734 61.300 0.019 0.000 1.119 239 I CB 2.029 40.046 38.000 0.027 0.000 1.289 239 I HN 0.191 nan 8.210 nan 0.000 0.438 240 P HA -0.051 nan 4.420 nan 0.000 0.261 240 P C 0.333 177.667 177.300 0.055 0.000 1.183 240 P CA 0.356 63.504 63.100 0.079 0.000 0.761 240 P CB 0.889 32.648 31.700 0.098 0.000 0.785 241 E N 2.944 123.209 120.200 0.108 0.000 2.118 241 E HA -0.255 4.096 4.350 0.001 0.000 0.195 241 E C 1.602 178.257 176.600 0.091 0.000 0.992 241 E CA 1.283 57.723 56.400 0.066 0.000 0.804 241 E CB -0.258 29.468 29.700 0.044 0.000 0.741 241 E HN 0.706 nan 8.360 nan 0.000 0.458 242 H N -1.156 117.903 119.070 -0.018 0.000 2.521 242 H HA 0.021 4.577 4.556 0.001 0.000 0.286 242 H C 1.555 176.872 175.328 -0.019 0.000 1.034 242 H CA 0.525 56.563 56.048 -0.017 0.000 1.278 242 H CB -0.104 29.647 29.762 -0.018 0.000 1.386 242 H HN 0.154 nan 8.280 nan 0.000 0.567 243 L N 1.153 122.154 121.223 -0.369 0.000 2.629 243 L HA 0.307 4.647 4.340 0.001 0.000 0.230 243 L C -0.234 176.554 176.870 -0.136 0.000 1.151 243 L CA -0.082 54.577 54.840 -0.302 0.000 0.924 243 L CB 0.154 42.013 42.059 -0.334 0.000 1.137 243 L HN 0.306 nan 8.230 nan 0.000 0.457 244 I N -0.118 120.399 120.570 -0.088 0.000 2.465 244 I HA 0.298 4.469 4.170 0.001 0.000 0.291 244 I C -0.319 175.752 176.117 -0.076 0.000 1.014 244 I CA -0.406 60.855 61.300 -0.065 0.000 1.093 244 I CB 2.578 40.552 38.000 -0.043 0.000 1.267 244 I HN -0.000 nan 8.210 nan 0.000 0.431 245 E N 5.619 125.751 120.200 -0.114 0.000 2.234 245 E HA 0.561 4.911 4.350 0.001 0.000 0.266 245 E C -1.865 174.621 176.600 -0.188 0.000 0.877 245 E CA -0.606 55.709 56.400 -0.142 0.000 0.758 245 E CB 2.565 32.160 29.700 -0.175 0.000 1.170 245 E HN 0.339 nan 8.360 nan 0.000 0.415 246 V N 4.807 124.627 119.914 -0.157 0.000 2.435 246 V HA 0.507 4.627 4.120 0.001 0.000 0.290 246 V C -0.104 175.881 176.094 -0.183 0.000 1.030 246 V CA -0.561 61.645 62.300 -0.157 0.000 0.881 246 V CB 1.586 33.356 31.823 -0.088 0.000 0.983 246 V HN 0.662 nan 8.190 nan 0.000 0.445 247 R N 2.954 123.303 120.500 -0.251 0.000 2.637 247 R HA 0.783 5.123 4.340 0.001 0.000 0.291 247 R C -1.586 174.702 176.300 -0.020 0.000 0.963 247 R CA -0.738 55.238 56.100 -0.206 0.000 0.901 247 R CB 2.460 32.475 30.300 -0.474 0.000 1.160 247 R HN 0.493 nan 8.270 nan 0.000 0.457 248 V N 4.429 124.365 119.914 0.037 0.000 2.407 248 V HA 0.339 4.459 4.120 0.001 0.000 0.291 248 V C -1.708 174.441 176.094 0.092 0.000 1.018 248 V CA -1.482 60.869 62.300 0.086 0.000 0.842 248 V CB 1.381 33.242 31.823 0.063 0.000 0.996 248 V HN 0.737 nan 8.190 nan 0.000 0.426 249 P HA 0.324 nan 4.420 nan 0.000 0.312 249 P C -0.736 176.536 177.300 -0.046 0.000 1.308 249 P CA -0.548 62.585 63.100 0.055 0.000 0.743 249 P CB 0.824 32.574 31.700 0.084 0.000 1.364 250 D N -0.645 119.631 120.400 -0.206 0.000 2.414 250 D HA 0.189 4.829 4.640 0.001 0.000 0.242 250 D C -0.314 175.851 176.300 -0.226 0.000 1.129 250 D CA 0.302 54.085 54.000 -0.362 0.000 0.885 250 D CB 0.640 40.948 40.800 -0.820 0.000 1.198 250 D HN -0.042 nan 8.370 nan 0.000 0.437 251 V N 1.369 121.259 119.914 -0.040 0.000 2.448 251 V HA 0.396 4.517 4.120 0.001 0.000 0.295 251 V C 1.073 177.309 176.094 0.238 0.000 1.025 251 V CA -0.857 61.526 62.300 0.137 0.000 0.859 251 V CB 1.871 33.728 31.823 0.057 0.000 0.988 251 V HN 0.660 nan 8.190 nan 0.000 0.431 252 G N 3.128 112.117 108.800 0.315 0.000 3.401 252 G HA2 0.505 4.465 3.960 0.001 0.000 0.251 252 G HA3 0.505 4.465 3.960 0.001 0.000 0.251 252 G C 0.637 175.571 174.900 0.056 0.000 0.960 252 G CA 0.430 45.632 45.100 0.171 0.000 1.900 252 G HN 1.523 nan 8.290 nan 0.000 0.645 253 G N -1.297 107.477 108.800 -0.043 0.000 2.895 253 G HA2 0.325 4.286 3.960 0.001 0.000 0.686 253 G HA3 0.325 4.286 3.960 0.001 0.000 0.686 253 G C 0.562 175.260 174.900 -0.336 0.000 1.108 253 G CA -0.360 44.555 45.100 -0.308 0.000 0.761 253 G HN 1.139 nan 8.290 nan 0.000 0.611 254 G N 0.072 108.449 108.800 -0.706 0.000 2.619 254 G HA2 0.544 4.505 3.960 0.001 0.000 0.201 254 G HA3 0.544 4.505 3.960 0.001 0.000 0.201 254 G C 0.837 175.700 174.900 -0.062 0.000 1.188 254 G CA 0.849 45.807 45.100 -0.237 0.000 0.663 254 G HN 1.733 nan 8.290 nan 0.000 0.757 255 F N 0.792 120.844 119.950 0.171 0.000 3.069 255 F HA -0.166 4.362 4.527 0.001 0.000 0.285 255 F C 1.928 177.886 175.800 0.264 0.000 0.827 255 F CA 1.101 59.232 58.000 0.218 0.000 1.108 255 F CB -1.629 37.572 39.000 0.336 0.000 1.252 255 F HN 1.203 nan 8.300 nan 0.000 0.483 256 G N -1.256 107.716 108.800 0.287 0.000 2.308 256 G HA2 -0.376 3.584 3.960 0.001 0.000 0.221 256 G HA3 -0.376 3.584 3.960 0.001 0.000 0.221 256 G C 0.865 175.971 174.900 0.343 0.000 1.032 256 G CA 0.434 45.683 45.100 0.248 0.000 0.623 256 G HN 0.545 nan 8.290 nan 0.000 0.506 257 Q N 0.674 120.722 119.800 0.414 0.000 2.135 257 Q HA -0.014 4.326 4.340 0.001 0.000 0.204 257 Q C 1.828 178.158 176.000 0.549 0.000 0.981 257 Q CA 1.643 57.724 55.803 0.463 0.000 0.856 257 Q CB -0.162 28.737 28.738 0.268 0.000 0.902 257 Q HN 0.585 nan 8.270 nan 0.000 0.425 258 K N -0.644 119.981 120.400 0.376 0.000 2.520 258 K HA 0.188 4.509 4.320 0.001 0.000 0.205 258 K C -0.016 176.753 176.600 0.281 0.000 1.035 258 K CA 0.118 56.635 56.287 0.382 0.000 1.188 258 K CB 0.757 33.406 32.500 0.249 0.000 0.894 258 K HN 0.050 nan 8.250 nan 0.000 0.497 259 A N 0.925 123.872 122.820 0.211 0.000 2.965 259 A HA 0.237 4.558 4.320 0.001 0.000 0.304 259 A C -0.892 176.578 177.584 -0.191 0.000 1.214 259 A CA -0.406 51.675 52.037 0.074 0.000 0.977 259 A CB -0.204 18.892 19.000 0.159 0.000 1.127 259 A HN 0.269 nan 8.150 nan 0.000 0.572 260 H N -2.002 117.127 119.070 0.098 0.000 2.946 260 H HA 0.570 5.127 4.556 0.001 0.000 0.365 260 H C -1.070 174.131 175.328 -0.211 0.000 1.197 260 H CA -0.822 55.209 56.048 -0.029 0.000 1.131 260 H CB 1.582 31.401 29.762 0.094 0.000 1.849 260 H HN 0.222 nan 8.280 nan 0.000 0.555 261 L N 3.029 124.314 121.223 0.103 0.000 2.276 261 L HA 0.271 4.612 4.340 0.001 0.000 0.286 261 L C -0.739 176.052 176.870 -0.130 0.000 1.061 261 L CA -0.179 54.640 54.840 -0.035 0.000 0.807 261 L CB 0.046 42.142 42.059 0.062 0.000 1.177 261 L HN 0.611 nan 8.230 nan 0.000 0.429 262 H N 5.417 124.572 119.070 0.143 0.000 2.463 262 H HA 0.323 4.880 4.556 0.001 0.000 0.332 262 H C -1.980 173.317 175.328 -0.051 0.000 1.127 262 H CA -2.306 53.781 56.048 0.066 0.000 1.238 262 H CB 1.039 30.871 29.762 0.116 0.000 1.478 262 H HN 0.440 nan 8.280 nan 0.000 0.499 263 P HA -0.168 nan 4.420 nan 0.000 0.216 263 P C 1.011 178.207 177.300 -0.173 0.000 1.153 263 P CA 1.442 64.496 63.100 -0.076 0.000 0.858 263 P CB 0.447 32.099 31.700 -0.078 0.000 0.789 264 E N -0.404 119.566 120.200 -0.385 0.000 2.160 264 E HA -0.194 4.157 4.350 0.001 0.000 0.195 264 E C 1.871 178.221 176.600 -0.418 0.000 0.991 264 E CA 1.075 57.020 56.400 -0.758 0.000 0.810 264 E CB -0.604 27.794 29.700 -2.169 0.000 0.742 264 E HN 0.444 nan 8.360 nan 0.000 0.466 265 E N 0.152 120.263 120.200 -0.148 0.000 2.110 265 E HA -0.148 4.203 4.350 0.001 0.000 0.193 265 E C 1.990 178.604 176.600 0.024 0.000 0.988 265 E CA 0.795 57.230 56.400 0.058 0.000 0.804 265 E CB -0.072 29.707 29.700 0.133 0.000 0.745 265 E HN 0.274 nan 8.360 nan 0.000 0.458 266 L N 0.505 121.724 121.223 -0.008 0.000 2.072 266 L HA -0.143 4.198 4.340 0.001 0.000 0.205 266 L C 2.463 179.344 176.870 0.018 0.000 1.079 266 L CA 0.677 55.525 54.840 0.014 0.000 0.752 266 L CB -0.388 41.683 42.059 0.020 0.000 0.906 266 L HN 0.161 nan 8.230 nan 0.000 0.436 267 L N -0.074 121.136 121.223 -0.022 0.000 2.012 267 L HA -0.208 4.133 4.340 0.001 0.000 0.210 267 L C 2.687 179.569 176.870 0.019 0.000 1.073 267 L CA 1.474 56.321 54.840 0.012 0.000 0.748 267 L CB -0.730 41.291 42.059 -0.062 0.000 0.891 267 L HN 0.248 nan 8.230 nan 0.000 0.431 268 V N -4.125 115.789 119.914 -0.001 0.000 2.490 268 V HA -0.265 3.855 4.120 0.001 0.000 0.250 268 V C 2.368 178.502 176.094 0.066 0.000 1.061 268 V CA 1.666 63.993 62.300 0.044 0.000 1.064 268 V CB -1.295 30.601 31.823 0.121 0.000 0.670 268 V HN 0.479 nan 8.190 nan 0.000 0.461 269 C N 0.261 119.606 119.300 0.076 0.000 2.446 269 C HA 0.040 4.500 4.460 0.001 0.000 0.277 269 C C 2.763 177.786 174.990 0.055 0.000 1.275 269 C CA 1.083 60.150 59.018 0.082 0.000 1.727 269 C CB -1.206 26.576 27.740 0.069 0.000 2.010 269 C HN 0.591 nan 8.230 nan 0.000 0.486 270 L N 0.263 121.533 121.223 0.079 0.000 2.046 270 L HA -0.152 4.189 4.340 0.001 0.000 0.208 270 L C 2.533 179.498 176.870 0.157 0.000 1.077 270 L CA 1.384 56.311 54.840 0.145 0.000 0.747 270 L CB -0.607 41.612 42.059 0.266 0.000 0.896 270 L HN 0.384 nan 8.230 nan 0.000 0.432 271 L N -1.134 120.101 121.223 0.021 0.000 2.056 271 L HA -0.198 4.142 4.340 0.001 0.000 0.207 271 L C 2.845 179.653 176.870 -0.103 0.000 1.078 271 L CA 1.307 56.013 54.840 -0.223 0.000 0.749 271 L CB -0.518 41.366 42.059 -0.291 0.000 0.901 271 L HN 0.220 nan 8.230 nan 0.000 0.433 272 S N -0.220 115.476 115.700 -0.007 0.000 2.383 272 S HA -0.220 4.251 4.470 0.001 0.000 0.227 272 S C 2.196 176.849 174.600 0.089 0.000 1.026 272 S CA 1.279 59.517 58.200 0.063 0.000 0.981 272 S CB -0.144 63.139 63.200 0.140 0.000 0.818 272 S HN 0.311 nan 8.310 nan 0.000 0.472 273 R N 0.367 120.857 120.500 -0.016 0.000 2.075 273 R HA -0.001 4.339 4.340 0.001 0.000 0.232 273 R C 2.362 178.612 176.300 -0.084 0.000 1.126 273 R CA 1.355 57.296 56.100 -0.264 0.000 0.963 273 R CB -0.633 29.287 30.300 -0.634 0.000 0.858 273 R HN 0.456 nan 8.270 nan 0.000 0.435 274 A N 0.655 123.471 122.820 -0.007 0.000 1.930 274 A HA -0.075 4.245 4.320 0.001 0.000 0.217 274 A C 2.035 179.629 177.584 0.018 0.000 1.175 274 A CA 1.091 53.160 52.037 0.054 0.000 0.627 274 A CB -0.262 18.855 19.000 0.195 0.000 0.815 274 A HN 0.355 nan 8.150 nan 0.000 0.443 275 L N -1.735 119.483 121.223 -0.008 0.000 2.477 275 L HA 0.232 4.572 4.340 0.001 0.000 0.220 275 L C 1.659 178.559 176.870 0.050 0.000 1.106 275 L CA 0.501 55.338 54.840 -0.005 0.000 0.851 275 L CB -0.156 41.874 42.059 -0.048 0.000 0.994 275 L HN 0.546 nan 8.230 nan 0.000 0.462 276 G N 1.236 110.105 108.800 0.115 0.000 2.160 276 G HA2 -0.275 3.686 3.960 0.001 0.000 0.251 276 G HA3 -0.275 3.686 3.960 0.001 0.000 0.251 276 G C 0.170 175.171 174.900 0.168 0.000 1.008 276 G CA 0.191 45.412 45.100 0.202 0.000 0.724 276 G HN 0.405 nan 8.290 nan 0.000 0.514 277 R N -0.845 119.726 120.500 0.119 0.000 2.739 277 R HA 0.489 4.829 4.340 0.001 0.000 0.271 277 R C -3.021 173.324 176.300 0.073 0.000 1.010 277 R CA -2.165 53.986 56.100 0.085 0.000 0.897 277 R CB 1.772 32.099 30.300 0.046 0.000 1.236 277 R HN -0.001 nan 8.270 nan 0.000 0.466 278 P HA 0.081 nan 4.420 nan 0.000 0.269 278 P C -1.012 176.284 177.300 -0.006 0.000 1.209 278 P CA -0.219 62.908 63.100 0.046 0.000 0.776 278 P CB 0.657 32.360 31.700 0.006 0.000 0.876 279 V N 3.953 123.875 119.914 0.013 0.000 2.483 279 V HA 0.407 4.528 4.120 0.001 0.000 0.297 279 V C 0.178 176.275 176.094 0.006 0.000 1.027 279 V CA -0.614 61.674 62.300 -0.020 0.000 0.855 279 V CB 1.523 33.341 31.823 -0.008 0.000 0.995 279 V HN 0.444 nan 8.190 nan 0.000 0.424 280 R N 3.715 124.171 120.500 -0.073 0.000 2.294 280 R HA 0.434 4.775 4.340 0.001 0.000 0.319 280 R C -1.672 174.704 176.300 0.127 0.000 0.984 280 R CA -0.582 55.502 56.100 -0.027 0.000 0.861 280 R CB 1.219 31.391 30.300 -0.214 0.000 1.104 280 R HN 0.721 nan 8.270 nan 0.000 0.451 281 W N 8.306 129.606 121.300 0.001 0.000 2.393 281 W HA 0.418 5.078 4.660 0.001 0.000 0.315 281 W C -1.816 174.724 176.519 0.035 0.000 1.009 281 W CA -0.974 56.387 57.345 0.027 0.000 1.313 281 W CB 0.944 30.427 29.460 0.038 0.000 1.269 281 W HN 0.339 nan 8.180 nan 0.000 0.420 282 I N 6.796 127.158 120.570 -0.347 0.000 2.448 282 I HA 0.116 4.287 4.170 0.001 0.000 0.281 282 I C 0.286 176.134 176.117 -0.447 0.000 1.027 282 I CA -0.870 60.142 61.300 -0.481 0.000 1.111 282 I CB 1.152 39.035 38.000 -0.196 0.000 1.236 282 I HN 0.608 nan 8.210 nan 0.000 0.452 283 E N 4.847 124.648 120.200 -0.664 0.000 2.373 283 E HA 0.276 4.627 4.350 0.001 0.000 0.263 283 E C -0.843 175.661 176.600 -0.159 0.000 1.073 283 E CA -0.581 55.660 56.400 -0.264 0.000 0.894 283 E CB 1.143 30.752 29.700 -0.151 0.000 1.008 283 E HN 0.556 nan 8.360 nan 0.000 0.420 284 D N 1.126 121.493 120.400 -0.056 0.000 2.432 284 D HA 0.091 4.732 4.640 0.001 0.000 0.258 284 D C 0.834 177.108 176.300 -0.043 0.000 1.146 284 D CA -0.771 53.202 54.000 -0.044 0.000 1.015 284 D CB 0.782 41.579 40.800 -0.005 0.000 1.107 284 D HN 0.432 nan 8.370 nan 0.000 0.529 285 R N -0.592 119.891 120.500 -0.029 0.000 2.105 285 R HA -0.175 4.166 4.340 0.001 0.000 0.239 285 R C 1.843 178.173 176.300 0.049 0.000 1.135 285 R CA 1.834 57.914 56.100 -0.033 0.000 0.967 285 R CB -0.671 29.650 30.300 0.034 0.000 0.861 285 R HN 0.483 nan 8.270 nan 0.000 0.442 286 Q N 0.332 120.200 119.800 0.114 0.000 2.084 286 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 286 Q C 1.857 177.945 176.000 0.148 0.000 0.978 286 Q CA 2.041 57.951 55.803 0.178 0.000 0.844 286 Q CB -0.066 28.739 28.738 0.112 0.000 0.898 286 Q HN 0.537 nan 8.270 nan 0.000 0.426 287 E N -0.129 120.126 120.200 0.091 0.000 2.150 287 E HA -0.172 4.179 4.350 0.001 0.000 0.193 287 E C 1.612 178.251 176.600 0.066 0.000 0.985 287 E CA 0.908 57.371 56.400 0.105 0.000 0.814 287 E CB -0.148 29.629 29.700 0.128 0.000 0.752 287 E HN 0.337 nan 8.360 nan 0.000 0.466 288 N N 0.168 118.841 118.700 -0.044 0.000 2.188 288 N HA -0.125 4.615 4.740 0.001 0.000 0.184 288 N C 1.328 176.727 175.510 -0.185 0.000 1.018 288 N CA 1.005 53.953 53.050 -0.170 0.000 0.858 288 N CB -0.046 38.238 38.487 -0.339 0.000 0.989 288 N HN 0.059 nan 8.380 nan 0.000 0.426 289 F N -0.128 119.817 119.950 -0.008 0.000 2.234 289 F HA 0.067 4.595 4.527 0.001 0.000 0.296 289 F C 1.896 177.766 175.800 0.116 0.000 1.089 289 F CA 0.458 58.470 58.000 0.020 0.000 1.343 289 F CB -0.013 38.952 39.000 -0.059 0.000 1.040 289 F HN 0.032 nan 8.300 nan 0.000 0.498 290 L N -1.096 120.285 121.223 0.263 0.000 2.044 290 L HA -0.019 4.322 4.340 0.001 0.000 0.205 290 L C 2.234 179.252 176.870 0.247 0.000 1.075 290 L CA 1.495 56.480 54.840 0.242 0.000 0.747 290 L CB -0.740 41.438 42.059 0.198 0.000 0.903 290 L HN 0.172 nan 8.230 nan 0.000 0.435 291 G N -1.708 107.204 108.800 0.187 0.000 3.651 291 G HA2 0.477 4.437 3.960 0.001 0.000 0.279 291 G HA3 0.477 4.437 3.960 0.001 0.000 0.279 291 G C 0.487 175.440 174.900 0.089 0.000 1.024 291 G CA 0.509 45.733 45.100 0.207 0.000 0.813 291 G HN 0.324 nan 8.290 nan 0.000 0.518 292 A N 0.613 123.423 122.820 -0.018 0.000 3.763 292 A HA 0.842 5.162 4.320 0.001 0.000 0.173 292 A C 0.935 178.421 177.584 -0.163 0.000 1.783 292 A CA 0.817 52.820 52.037 -0.058 0.000 1.617 292 A CB -0.160 18.792 19.000 -0.081 0.000 1.579 292 A HN 0.653 nan 8.150 nan 0.000 0.614 293 T N -3.209 111.223 114.554 -0.202 0.000 2.901 293 T HA 0.719 5.070 4.350 0.001 0.000 0.293 293 T C -0.834 173.739 174.700 -0.212 0.000 1.084 293 T CA -0.697 61.239 62.100 -0.272 0.000 1.008 293 T CB 1.360 70.065 68.868 -0.273 0.000 1.170 293 T HN 0.532 nan 8.240 nan 0.000 0.509 294 H N -0.399 118.669 119.070 -0.003 0.000 2.754 294 H HA 0.917 5.473 4.556 0.001 0.000 0.352 294 H C -0.041 175.324 175.328 0.060 0.000 1.213 294 H CA -0.659 55.406 56.048 0.028 0.000 1.244 294 H CB 1.733 31.546 29.762 0.085 0.000 1.843 294 H HN 1.098 nan 8.280 nan 0.000 0.587 295 A N 0.110 123.072 122.820 0.236 0.000 2.588 295 A HA 0.525 4.845 4.320 0.001 0.000 0.290 295 A C -0.430 177.277 177.584 0.204 0.000 1.136 295 A CA -0.634 51.532 52.037 0.216 0.000 0.681 295 A CB 1.067 20.238 19.000 0.286 0.000 1.282 295 A HN 0.577 nan 8.150 nan 0.000 0.421 296 K N -1.315 119.190 120.400 0.174 0.000 3.547 296 K HA -0.186 4.135 4.320 0.001 0.000 0.309 296 K C 0.274 176.942 176.600 0.113 0.000 1.324 296 K CA 1.710 58.081 56.287 0.140 0.000 0.988 296 K CB -1.630 30.975 32.500 0.175 0.000 1.261 296 K HN 0.895 nan 8.250 nan 0.000 0.444 297 Q N 1.853 121.719 119.800 0.111 0.000 2.534 297 Q HA 0.089 4.429 4.340 0.001 0.000 0.223 297 Q C -0.165 175.880 176.000 0.074 0.000 1.239 297 Q CA -0.054 55.804 55.803 0.092 0.000 0.936 297 Q CB 0.242 29.035 28.738 0.091 0.000 1.457 297 Q HN 0.311 nan 8.270 nan 0.000 0.547 298 Q N 2.145 121.989 119.800 0.074 0.000 2.456 298 Q HA 0.553 4.893 4.340 0.001 0.000 0.283 298 Q C -1.301 174.743 176.000 0.074 0.000 1.084 298 Q CA -1.179 54.664 55.803 0.067 0.000 0.801 298 Q CB 1.964 30.741 28.738 0.065 0.000 1.434 298 Q HN 0.283 nan 8.270 nan 0.000 0.419 299 R N 1.246 121.786 120.500 0.067 0.000 2.445 299 R HA 0.455 4.795 4.340 0.001 0.000 0.308 299 R C -1.435 174.916 176.300 0.085 0.000 0.961 299 R CA -0.442 55.703 56.100 0.076 0.000 0.862 299 R CB 1.076 31.406 30.300 0.049 0.000 1.144 299 R HN 0.801 nan 8.270 nan 0.000 0.447 300 N N 2.312 121.088 118.700 0.128 0.000 2.531 300 N HA 0.137 4.878 4.740 0.001 0.000 0.268 300 N C -1.705 173.908 175.510 0.172 0.000 1.023 300 N CA -0.587 52.540 53.050 0.128 0.000 0.896 300 N CB 1.941 40.494 38.487 0.110 0.000 1.233 300 N HN 0.450 nan 8.380 nan 0.000 0.512 301 E N 2.201 122.461 120.200 0.100 0.000 1.963 301 E HA 0.171 4.522 4.350 0.001 0.000 0.274 301 E C -0.650 175.996 176.600 0.078 0.000 1.061 301 E CA -0.039 56.406 56.400 0.075 0.000 0.847 301 E CB 0.936 30.646 29.700 0.016 0.000 1.083 301 E HN 0.412 nan 8.360 nan 0.000 0.402 302 M N 1.975 121.664 119.600 0.149 0.000 2.508 302 M HA 0.578 5.058 4.480 0.001 0.000 0.327 302 M C -0.497 175.870 176.300 0.111 0.000 1.160 302 M CA -0.463 54.910 55.300 0.122 0.000 0.980 302 M CB 1.509 34.189 32.600 0.132 0.000 1.693 302 M HN 0.512 nan 8.290 nan 0.000 0.452 303 G N 3.608 112.468 108.800 0.100 0.000 2.662 303 G HA2 0.634 4.595 3.960 0.001 0.000 0.302 303 G HA3 0.634 4.595 3.960 0.001 0.000 0.302 303 G C -2.538 172.606 174.900 0.406 0.000 1.389 303 G CA -0.498 44.710 45.100 0.181 0.000 0.998 303 G HN 0.654 nan 8.290 nan 0.000 0.502 304 L N 2.011 123.476 121.223 0.404 0.000 2.381 304 L HA 0.876 5.216 4.340 0.001 0.000 0.274 304 L C -0.001 176.952 176.870 0.138 0.000 0.988 304 L CA -0.719 54.236 54.840 0.193 0.000 0.824 304 L CB 1.693 43.746 42.059 -0.009 0.000 1.263 304 L HN 0.813 nan 8.230 nan 0.000 0.410 305 A N 4.634 127.317 122.820 -0.229 0.000 2.324 305 A HA 0.893 5.213 4.320 0.001 0.000 0.330 305 A C -1.151 176.406 177.584 -0.046 0.000 1.165 305 A CA -0.374 51.388 52.037 -0.458 0.000 0.813 305 A CB 0.581 18.978 19.000 -1.006 0.000 1.197 305 A HN 0.756 nan 8.150 nan 0.000 0.484 306 F N 0.042 119.945 119.950 -0.079 0.000 2.645 306 F HA 0.674 5.201 4.527 0.001 0.000 0.310 306 F C -0.502 175.295 175.800 -0.005 0.000 1.102 306 F CA -1.343 56.674 58.000 0.028 0.000 0.952 306 F CB 0.903 39.990 39.000 0.146 0.000 1.326 306 F HN 0.578 nan 8.300 nan 0.000 0.456 307 D N 0.283 120.794 120.400 0.186 0.000 2.451 307 D HA 0.357 4.998 4.640 0.001 0.000 0.259 307 D C 1.367 177.759 176.300 0.154 0.000 1.201 307 D CA -0.311 53.736 54.000 0.079 0.000 1.028 307 D CB 0.712 41.538 40.800 0.043 0.000 1.095 307 D HN 0.854 nan 8.370 nan 0.000 0.539 308 G N -1.075 107.772 108.800 0.078 0.000 2.501 308 G HA2 -0.200 3.760 3.960 0.001 0.000 0.220 308 G HA3 -0.200 3.760 3.960 0.001 0.000 0.220 308 G C 0.689 175.641 174.900 0.087 0.000 1.114 308 G CA 0.492 45.643 45.100 0.086 0.000 0.757 308 G HN 0.503 nan 8.290 nan 0.000 0.559 309 D N -0.440 120.001 120.400 0.069 0.000 2.369 309 D HA 0.199 4.840 4.640 0.001 0.000 0.211 309 D C 1.919 178.225 176.300 0.010 0.000 1.077 309 D CA 0.764 54.781 54.000 0.028 0.000 0.842 309 D CB 0.347 41.148 40.800 0.001 0.000 0.947 309 D HN 0.349 nan 8.370 nan 0.000 0.509 310 G N 1.836 110.682 108.800 0.075 0.000 2.157 310 G HA2 -0.305 3.656 3.960 0.001 0.000 0.239 310 G HA3 -0.305 3.656 3.960 0.001 0.000 0.239 310 G C 0.469 175.312 174.900 -0.095 0.000 0.982 310 G CA -0.107 44.989 45.100 -0.007 0.000 0.650 310 G HN 0.360 nan 8.290 nan 0.000 0.527 311 R N 0.206 120.680 120.500 -0.043 0.000 2.401 311 R HA 0.469 4.809 4.340 0.001 0.000 0.299 311 R C -0.003 176.341 176.300 0.074 0.000 1.064 311 R CA -0.559 55.463 56.100 -0.129 0.000 1.000 311 R CB -0.064 30.199 30.300 -0.061 0.000 0.973 311 R HN -0.022 nan 8.270 nan 0.000 0.438 312 F N 5.686 125.652 119.950 0.026 0.000 2.504 312 F HA 0.071 4.599 4.527 0.001 0.000 0.369 312 F C 1.057 176.868 175.800 0.018 0.000 1.082 312 F CA -0.450 57.571 58.000 0.035 0.000 1.216 312 F CB 0.338 39.332 39.000 -0.010 0.000 1.108 312 F HN 0.501 nan 8.300 nan 0.000 0.554 313 L N 2.137 123.469 121.223 0.182 0.000 2.470 313 L HA 0.455 4.795 4.340 0.001 0.000 0.219 313 L C 0.719 177.591 176.870 0.004 0.000 1.071 313 L CA 0.277 55.146 54.840 0.048 0.000 0.850 313 L CB -0.020 42.015 42.059 -0.041 0.000 1.040 313 L HN 0.677 nan 8.230 nan 0.000 0.475 314 A N 0.262 123.060 122.820 -0.037 0.000 2.599 314 A HA 0.635 4.956 4.320 0.001 0.000 0.294 314 A C -1.941 175.645 177.584 0.004 0.000 1.055 314 A CA -0.348 51.669 52.037 -0.033 0.000 0.683 314 A CB 1.492 20.425 19.000 -0.112 0.000 1.278 314 A HN -0.005 nan 8.150 nan 0.000 0.412 315 L N 0.970 122.252 121.223 0.098 0.000 2.409 315 L HA 0.758 5.099 4.340 0.001 0.000 0.272 315 L C -0.585 176.391 176.870 0.177 0.000 0.980 315 L CA -0.201 54.714 54.840 0.125 0.000 0.826 315 L CB 1.640 43.719 42.059 0.033 0.000 1.268 315 L HN 0.920 nan 8.230 nan 0.000 0.407 316 E N 5.121 125.454 120.200 0.220 0.000 2.199 316 E HA 0.397 4.748 4.350 0.001 0.000 0.269 316 E C -1.544 175.092 176.600 0.060 0.000 0.899 316 E CA -0.634 55.838 56.400 0.120 0.000 0.772 316 E CB 1.649 31.376 29.700 0.046 0.000 1.155 316 E HN 0.686 nan 8.360 nan 0.000 0.408 317 N N 3.585 122.309 118.700 0.040 0.000 2.503 317 N HA 0.164 4.905 4.740 0.001 0.000 0.287 317 N C -1.652 173.873 175.510 0.025 0.000 1.096 317 N CA -0.508 52.562 53.050 0.034 0.000 0.936 317 N CB 1.476 39.986 38.487 0.037 0.000 1.570 317 N HN 0.462 nan 8.380 nan 0.000 0.504 318 R N 2.698 123.211 120.500 0.023 0.000 2.246 318 R HA 0.292 4.632 4.340 0.001 0.000 0.332 318 R C -1.240 175.080 176.300 0.033 0.000 0.974 318 R CA -0.291 55.821 56.100 0.020 0.000 0.837 318 R CB 1.082 31.386 30.300 0.006 0.000 1.145 318 R HN 0.355 nan 8.270 nan 0.000 0.467 319 S N 5.632 121.353 115.700 0.035 0.000 2.449 319 S HA 0.543 5.013 4.470 0.001 0.000 0.310 319 S C -0.453 174.174 174.600 0.045 0.000 1.096 319 S CA -0.670 57.557 58.200 0.045 0.000 1.095 319 S CB 0.555 63.783 63.200 0.046 0.000 1.007 319 S HN 0.587 nan 8.310 nan 0.000 0.474 320 I N 3.653 124.250 120.570 0.045 0.000 2.498 320 I HA 0.353 4.523 4.170 0.001 0.000 0.290 320 I C -0.241 175.902 176.117 0.044 0.000 1.032 320 I CA -0.597 60.727 61.300 0.040 0.000 1.073 320 I CB 2.520 40.535 38.000 0.026 0.000 1.251 320 I HN 0.415 nan 8.210 nan 0.000 0.426 321 T N 3.335 117.915 114.554 0.045 0.000 2.797 321 T HA 0.160 4.511 4.350 0.001 0.000 0.279 321 T C -0.499 174.217 174.700 0.026 0.000 0.991 321 T CA -0.397 61.731 62.100 0.046 0.000 0.979 321 T CB 1.334 70.240 68.868 0.063 0.000 0.943 321 T HN 0.480 nan 8.240 nan 0.000 0.444 322 D N 2.396 122.810 120.400 0.023 0.000 2.422 322 D HA 0.190 4.830 4.640 0.001 0.000 0.227 322 D C 1.153 177.449 176.300 -0.006 0.000 1.190 322 D CA -0.251 53.746 54.000 -0.005 0.000 0.905 322 D CB 0.832 41.630 40.800 -0.003 0.000 1.034 322 D HN 0.767 nan 8.370 nan 0.000 0.507 323 G N 2.337 111.123 108.800 -0.023 0.000 2.880 323 G HA2 0.345 4.305 3.960 0.001 0.000 0.209 323 G HA3 0.345 4.305 3.960 0.001 0.000 0.209 323 G C 0.908 175.767 174.900 -0.069 0.000 1.157 323 G CA 0.384 45.472 45.100 -0.021 0.000 0.779 323 G HN 0.870 nan 8.290 nan 0.000 0.539 324 G N -1.104 107.621 108.800 -0.125 0.000 2.760 324 G HA2 0.213 4.174 3.960 0.001 0.000 0.246 324 G HA3 0.213 4.174 3.960 0.001 0.000 0.246 324 G C 1.019 175.778 174.900 -0.235 0.000 1.359 324 G CA 0.110 45.087 45.100 -0.205 0.000 0.861 324 G HN 1.084 nan 8.290 nan 0.000 0.541 325 A N -1.182 121.441 122.820 -0.328 0.000 2.015 325 A HA 0.473 4.794 4.320 0.001 0.000 0.219 325 A C 0.886 178.060 177.584 -0.684 0.000 1.163 325 A CA 2.280 54.009 52.037 -0.514 0.000 0.646 325 A CB -0.162 18.502 19.000 -0.561 0.000 0.806 325 A HN 1.255 nan 8.150 nan 0.000 0.448 326 Y N -2.350 117.914 120.300 -0.061 0.000 2.669 326 Y HA 0.436 4.986 4.550 0.001 0.000 0.335 326 Y C -0.346 175.540 175.900 -0.023 0.000 1.116 326 Y CA -1.593 56.488 58.100 -0.032 0.000 1.081 326 Y CB 0.810 39.268 38.460 -0.003 0.000 1.297 326 Y HN 0.034 nan 8.280 nan 0.000 0.484 327 N N 1.705 120.529 118.700 0.207 0.000 2.455 327 N HA 0.192 4.932 4.740 0.001 0.000 0.280 327 N C -0.892 174.712 175.510 0.156 0.000 1.055 327 N CA -0.801 52.357 53.050 0.179 0.000 0.961 327 N CB 0.491 39.128 38.487 0.250 0.000 1.121 327 N HN 0.577 nan 8.380 nan 0.000 0.476 328 N N 2.890 121.675 118.700 0.142 0.000 2.444 328 N HA 0.082 4.822 4.740 0.001 0.000 0.255 328 N C -0.944 174.642 175.510 0.126 0.000 1.255 328 N CA -0.133 52.992 53.050 0.125 0.000 0.933 328 N CB 1.238 39.812 38.487 0.144 0.000 1.143 328 N HN 0.314 nan 8.380 nan 0.000 0.453 329 L N 1.114 122.401 121.223 0.107 0.000 2.322 329 L HA 0.354 4.695 4.340 0.001 0.000 0.281 329 L C -1.798 174.991 176.870 -0.134 0.000 1.014 329 L CA -1.864 53.004 54.840 0.046 0.000 0.815 329 L CB 2.556 44.724 42.059 0.182 0.000 1.247 329 L HN 0.562 nan 8.230 nan 0.000 0.421 330 P HA 0.075 nan 4.420 nan 0.000 0.267 330 P C 0.568 177.483 177.300 -0.641 0.000 1.289 330 P CA 0.207 62.872 63.100 -0.726 0.000 0.866 330 P CB 0.221 31.244 31.700 -1.129 0.000 1.309 331 W N 1.668 122.932 121.300 -0.060 0.000 2.476 331 W HA -0.007 4.654 4.660 0.001 0.000 0.281 331 W C 1.164 177.686 176.519 0.005 0.000 1.230 331 W CA 1.415 58.731 57.345 -0.048 0.000 1.287 331 W CB -1.179 28.262 29.460 -0.032 0.000 1.108 331 W HN 0.040 nan 8.180 nan 0.000 0.567 332 T N -1.461 113.226 114.554 0.221 0.000 0.541 332 T HA -0.388 3.963 4.350 0.001 0.000 0.774 332 T C 0.528 175.374 174.700 0.243 0.000 0.992 332 T CA 0.973 63.212 62.100 0.233 0.000 4.077 332 T CB -0.722 68.288 68.868 0.237 0.000 2.303 332 T HN 0.427 nan 8.240 nan 0.000 0.398 333 Q N 0.327 120.278 119.800 0.252 0.000 2.500 333 Q HA 0.172 4.512 4.340 0.001 0.000 0.213 333 Q C 2.094 178.203 176.000 0.181 0.000 0.974 333 Q CA 1.185 57.099 55.803 0.186 0.000 0.918 333 Q CB -0.362 28.457 28.738 0.136 0.000 0.980 333 Q HN 0.635 nan 8.270 nan 0.000 0.505 334 L N -0.286 121.048 121.223 0.185 0.000 2.552 334 L HA -0.059 4.281 4.340 0.001 0.000 0.227 334 L C 2.091 179.038 176.870 0.128 0.000 1.146 334 L CA 0.068 54.980 54.840 0.120 0.000 0.858 334 L CB -0.282 41.706 42.059 -0.120 0.000 0.969 334 L HN 0.114 nan 8.230 nan 0.000 0.451 335 V N -0.364 119.627 119.914 0.128 0.000 2.720 335 V HA -0.189 3.931 4.120 0.001 0.000 0.256 335 V C 2.130 178.210 176.094 -0.022 0.000 1.082 335 V CA 1.613 63.948 62.300 0.059 0.000 1.101 335 V CB -0.008 31.891 31.823 0.127 0.000 0.693 335 V HN 0.442 nan 8.190 nan 0.000 0.479 336 E N -0.477 119.746 120.200 0.039 0.000 2.611 336 E HA 0.094 4.444 4.350 0.001 0.000 0.284 336 E C 2.215 178.839 176.600 0.041 0.000 0.800 336 E CA 0.965 57.375 56.400 0.017 0.000 1.264 336 E CB -0.615 29.117 29.700 0.053 0.000 1.735 336 E HN 0.410 nan 8.360 nan 0.000 0.526 337 S N 0.971 116.718 115.700 0.078 0.000 2.365 337 S HA -0.209 4.261 4.470 0.001 0.000 0.225 337 S C 1.767 176.428 174.600 0.101 0.000 1.039 337 S CA 1.451 59.701 58.200 0.084 0.000 1.033 337 S CB -0.551 62.701 63.200 0.085 0.000 0.887 337 S HN 0.326 nan 8.310 nan 0.000 0.447 338 H N 1.338 120.437 119.070 0.048 0.000 2.253 338 H HA -0.112 4.445 4.556 0.001 0.000 0.296 338 H C 2.319 177.670 175.328 0.039 0.000 1.074 338 H CA 2.282 58.358 56.048 0.047 0.000 1.263 338 H CB -0.510 29.289 29.762 0.062 0.000 1.363 338 H HN 0.365 nan 8.280 nan 0.000 0.489 339 V N -0.821 119.209 119.914 0.192 0.000 2.626 339 V HA 0.009 4.129 4.120 0.001 0.000 0.252 339 V C 2.613 178.840 176.094 0.220 0.000 1.067 339 V CA 1.631 64.031 62.300 0.166 0.000 1.081 339 V CB -1.317 30.570 31.823 0.106 0.000 0.686 339 V HN 0.443 nan 8.190 nan 0.000 0.468 340 G N 0.618 109.501 108.800 0.140 0.000 2.421 340 G HA2 -0.256 3.704 3.960 0.001 0.000 0.216 340 G HA3 -0.256 3.704 3.960 0.001 0.000 0.216 340 G C 1.438 176.434 174.900 0.160 0.000 1.171 340 G CA 1.038 46.269 45.100 0.219 0.000 0.775 340 G HN 0.609 nan 8.290 nan 0.000 0.543 341 N N 0.825 119.561 118.700 0.059 0.000 2.289 341 N HA -0.043 4.697 4.740 0.001 0.000 0.184 341 N C 2.503 178.007 175.510 -0.011 0.000 1.016 341 N CA 0.539 53.599 53.050 0.015 0.000 0.872 341 N CB -0.082 38.386 38.487 -0.032 0.000 0.973 341 N HN 0.351 nan 8.380 nan 0.000 0.433 342 A N 0.915 123.702 122.820 -0.054 0.000 1.972 342 A HA -0.086 4.234 4.320 0.001 0.000 0.219 342 A C 1.900 179.480 177.584 -0.006 0.000 1.169 342 A CA 1.342 53.284 52.037 -0.159 0.000 0.635 342 A CB -0.247 18.551 19.000 -0.338 0.000 0.810 342 A HN 0.240 nan 8.150 nan 0.000 0.446 343 V N -3.475 116.505 119.914 0.110 0.000 3.121 343 V HA 0.333 4.454 4.120 0.001 0.000 0.344 343 V C 1.367 177.536 176.094 0.125 0.000 1.390 343 V CA 0.063 62.453 62.300 0.151 0.000 1.177 343 V CB -0.432 31.421 31.823 0.050 0.000 1.163 343 V HN 0.216 nan 8.190 nan 0.000 0.484 344 I N 0.774 121.412 120.570 0.113 0.000 2.530 344 I HA -0.115 4.055 4.170 0.001 0.000 0.257 344 I C 1.861 178.049 176.117 0.118 0.000 1.179 344 I CA 1.882 63.242 61.300 0.099 0.000 1.440 344 I CB 0.012 38.054 38.000 0.069 0.000 1.087 344 I HN 0.401 nan 8.210 nan 0.000 0.440 345 L N -0.557 120.757 121.223 0.151 0.000 2.492 345 L HA 0.204 4.544 4.340 0.001 0.000 0.223 345 L C 1.861 178.878 176.870 0.245 0.000 1.132 345 L CA 0.401 55.364 54.840 0.204 0.000 0.850 345 L CB -1.314 40.877 42.059 0.220 0.000 0.966 345 L HN 0.467 nan 8.230 nan 0.000 0.454 346 G N 0.740 109.639 108.800 0.165 0.000 2.685 346 G HA2 -0.405 3.555 3.960 0.001 0.000 0.329 346 G HA3 -0.405 3.555 3.960 0.001 0.000 0.329 346 G C 0.755 175.625 174.900 -0.050 0.000 1.271 346 G CA 0.500 45.642 45.100 0.069 0.000 1.003 346 G HN 0.052 nan 8.290 nan 0.000 0.549 347 V N 1.326 120.975 119.914 -0.442 0.000 3.649 347 V HA 0.366 4.486 4.120 0.001 0.000 0.275 347 V C 0.303 175.934 176.094 -0.771 0.000 1.281 347 V CA 0.666 62.447 62.300 -0.865 0.000 1.143 347 V CB -0.726 30.332 31.823 -1.275 0.000 0.892 347 V HN 0.399 nan 8.190 nan 0.000 0.441 348 Y N -0.045 120.223 120.300 -0.054 0.000 2.453 348 Y HA 0.505 5.055 4.550 0.001 0.000 0.326 348 Y C 0.571 176.502 175.900 0.051 0.000 1.186 348 Y CA -1.262 56.848 58.100 0.016 0.000 1.200 348 Y CB 0.792 39.384 38.460 0.220 0.000 1.247 348 Y HN -0.136 nan 8.280 nan 0.000 0.482 349 K N 1.841 122.349 120.400 0.179 0.000 2.264 349 K HA 0.530 4.851 4.320 0.001 0.000 0.277 349 K C -1.486 175.256 176.600 0.238 0.000 1.067 349 K CA -0.421 55.952 56.287 0.144 0.000 0.900 349 K CB 0.949 33.389 32.500 -0.100 0.000 1.124 349 K HN 0.351 nan 8.250 nan 0.000 0.469 350 V N 5.583 125.656 119.914 0.265 0.000 2.380 350 V HA 0.142 4.263 4.120 0.001 0.000 0.286 350 V C -1.323 174.879 176.094 0.180 0.000 1.015 350 V CA -1.365 61.074 62.300 0.232 0.000 0.834 350 V CB 1.409 33.359 31.823 0.212 0.000 1.009 350 V HN 0.685 nan 8.190 nan 0.000 0.428 351 P HA -0.019 nan 4.420 nan 0.000 0.218 351 P C 0.421 177.775 177.300 0.091 0.000 1.149 351 P CA 0.923 64.092 63.100 0.116 0.000 0.817 351 P CB 0.714 32.470 31.700 0.094 0.000 0.785 352 A N 0.131 123.001 122.820 0.083 0.000 2.330 352 A HA 0.593 4.914 4.320 0.001 0.000 0.313 352 A C -0.755 176.881 177.584 0.086 0.000 1.124 352 A CA -0.514 51.567 52.037 0.073 0.000 0.774 352 A CB 1.610 20.644 19.000 0.056 0.000 1.198 352 A HN -0.076 nan 8.150 nan 0.000 0.465 353 V N 1.207 121.171 119.914 0.084 0.000 2.841 353 V HA 0.783 4.903 4.120 0.001 0.000 0.310 353 V C -0.130 176.010 176.094 0.077 0.000 1.090 353 V CA -0.494 61.859 62.300 0.088 0.000 0.930 353 V CB 2.193 34.065 31.823 0.083 0.000 1.014 353 V HN 0.941 nan 8.190 nan 0.000 0.425 354 S N 3.034 118.782 115.700 0.081 0.000 2.776 354 S HA 0.732 5.202 4.470 0.001 0.000 0.284 354 S C -1.139 173.489 174.600 0.047 0.000 1.160 354 S CA -0.502 57.734 58.200 0.060 0.000 1.051 354 S CB 0.930 64.170 63.200 0.066 0.000 1.037 354 S HN 1.025 nan 8.310 nan 0.000 0.485 355 E N 2.549 122.768 120.200 0.032 0.000 2.408 355 E HA 0.724 5.075 4.350 0.001 0.000 0.275 355 E C -1.048 175.559 176.600 0.012 0.000 0.935 355 E CA -0.859 55.554 56.400 0.022 0.000 0.775 355 E CB 1.192 30.905 29.700 0.021 0.000 1.277 355 E HN 0.443 nan 8.360 nan 0.000 0.455 356 E N 0.762 120.970 120.200 0.012 0.000 2.331 356 E HA 0.492 4.842 4.350 0.001 0.000 0.275 356 E C -1.599 175.012 176.600 0.019 0.000 0.895 356 E CA -0.812 55.596 56.400 0.014 0.000 0.753 356 E CB 1.791 31.501 29.700 0.017 0.000 1.216 356 E HN 0.458 nan 8.360 nan 0.000 0.434 357 S N 4.572 120.288 115.700 0.027 0.000 2.449 357 S HA 0.605 5.076 4.470 0.001 0.000 0.310 357 S C -0.856 173.792 174.600 0.079 0.000 1.096 357 S CA -0.535 57.696 58.200 0.052 0.000 1.095 357 S CB 0.341 63.569 63.200 0.046 0.000 1.007 357 S HN 0.443 nan 8.310 nan 0.000 0.474 358 I N 3.733 124.345 120.570 0.069 0.000 2.466 358 I HA 0.587 4.758 4.170 0.001 0.000 0.289 358 I C -0.211 175.942 176.117 0.059 0.000 1.026 358 I CA -0.828 60.508 61.300 0.060 0.000 1.078 358 I CB 1.957 39.977 38.000 0.034 0.000 1.249 358 I HN 0.715 nan 8.210 nan 0.000 0.429 359 A N 6.605 129.460 122.820 0.058 0.000 2.304 359 A HA 0.800 5.121 4.320 0.001 0.000 0.314 359 A C -0.550 177.032 177.584 -0.003 0.000 1.187 359 A CA -0.568 51.496 52.037 0.044 0.000 0.810 359 A CB 1.172 20.219 19.000 0.078 0.000 1.183 359 A HN 0.586 nan 8.150 nan 0.000 0.487 360 V N 0.204 120.108 119.914 -0.017 0.000 2.628 360 V HA 0.915 5.036 4.120 0.001 0.000 0.306 360 V C 0.321 176.374 176.094 -0.070 0.000 1.045 360 V CA -0.568 61.704 62.300 -0.046 0.000 0.905 360 V CB 1.164 32.962 31.823 -0.041 0.000 0.997 360 V HN 1.490 nan 8.190 nan 0.000 0.436 361 A N 3.526 126.288 122.820 -0.097 0.000 2.363 361 A HA 0.814 5.134 4.320 0.001 0.000 0.270 361 A C 0.530 178.030 177.584 -0.140 0.000 1.121 361 A CA 0.352 52.310 52.037 -0.132 0.000 0.800 361 A CB 0.252 19.157 19.000 -0.158 0.000 1.052 361 A HN 1.706 nan 8.150 nan 0.000 0.493 362 T N -0.774 113.679 114.554 -0.168 0.000 2.883 362 T HA 0.446 4.797 4.350 0.001 0.000 0.296 362 T C -0.459 174.114 174.700 -0.211 0.000 1.117 362 T CA -0.930 61.065 62.100 -0.174 0.000 1.006 362 T CB 1.030 69.796 68.868 -0.169 0.000 1.191 362 T HN 0.441 nan 8.240 nan 0.000 0.508 363 N N 1.084 119.671 118.700 -0.188 0.000 3.124 363 N HA 0.336 5.076 4.740 0.001 0.000 0.284 363 N C -0.562 174.870 175.510 -0.129 0.000 1.209 363 N CA -0.334 52.635 53.050 -0.136 0.000 1.149 363 N CB 0.058 38.494 38.487 -0.085 0.000 1.434 363 N HN 0.382 nan 8.380 nan 0.000 0.529 364 K N -0.308 119.951 120.400 -0.235 0.000 2.469 364 K HA 0.461 4.781 4.320 0.001 0.000 0.268 364 K C -0.480 175.828 176.600 -0.486 0.000 1.027 364 K CA -0.999 55.048 56.287 -0.399 0.000 0.893 364 K CB 1.318 33.353 32.500 -0.774 0.000 1.460 364 K HN 0.274 nan 8.250 nan 0.000 0.449 365 C N 0.630 119.617 119.300 -0.523 0.000 2.689 365 C HA 0.334 4.794 4.460 0.001 0.000 0.409 365 C C -1.969 172.685 174.990 -0.560 0.000 1.293 365 C CA -1.434 56.940 59.018 -1.074 0.000 2.136 365 C CB -0.579 26.743 27.740 -0.696 0.000 2.719 365 C HN 0.490 nan 8.230 nan 0.000 0.644 366 P HA 0.105 nan 4.420 nan 0.000 0.266 366 P C -0.166 177.050 177.300 -0.140 0.000 1.195 366 P CA 0.239 63.218 63.100 -0.201 0.000 0.768 366 P CB 0.359 32.014 31.700 -0.074 0.000 0.838 367 I N 2.120 122.664 120.570 -0.044 0.000 2.779 367 I HA 0.471 4.642 4.170 0.001 0.000 0.285 367 I C 0.832 176.979 176.117 0.050 0.000 1.134 367 I CA 0.887 62.204 61.300 0.029 0.000 1.398 367 I CB 0.399 38.438 38.000 0.064 0.000 1.404 367 I HN 0.582 nan 8.210 nan 0.000 0.587 368 G N 4.385 113.243 108.800 0.096 0.000 2.721 368 G HA2 0.711 4.671 3.960 0.001 0.000 0.296 368 G HA3 0.711 4.671 3.960 0.001 0.000 0.296 368 G C -1.629 173.476 174.900 0.341 0.000 1.383 368 G CA -0.370 44.852 45.100 0.203 0.000 0.788 368 G HN 0.834 nan 8.290 nan 0.000 0.500 369 A N -0.659 122.516 122.820 0.591 0.000 2.409 369 A HA 0.604 4.925 4.320 0.001 0.000 0.262 369 A C -1.124 176.663 177.584 0.338 0.000 1.113 369 A CA -0.021 52.153 52.037 0.227 0.000 0.790 369 A CB 0.236 19.094 19.000 -0.237 0.000 1.046 369 A HN 1.522 nan 8.150 nan 0.000 0.496 370 Y N 2.357 122.697 120.300 0.066 0.000 2.401 370 Y HA 0.422 4.973 4.550 0.001 0.000 0.330 370 Y C 0.164 176.094 175.900 0.050 0.000 1.071 370 Y CA -1.355 56.808 58.100 0.106 0.000 1.049 370 Y CB 1.081 39.614 38.460 0.120 0.000 1.239 370 Y HN 0.908 nan 8.280 nan 0.000 0.437 371 R N 3.556 123.936 120.500 -0.200 0.000 4.180 371 R HA -0.034 4.307 4.340 0.001 0.000 0.125 371 R C 1.150 177.257 176.300 -0.320 0.000 0.390 371 R CA 2.364 58.297 56.100 -0.279 0.000 0.811 371 R CB -0.832 29.268 30.300 -0.333 0.000 1.084 371 R HN 1.424 nan 8.270 nan 0.000 0.234 372 G N 1.750 110.464 108.800 -0.144 0.000 2.234 372 G HA2 -0.385 3.575 3.960 0.001 0.000 0.235 372 G HA3 -0.385 3.575 3.960 0.001 0.000 0.235 372 G C 0.616 175.415 174.900 -0.169 0.000 0.997 372 G CA 0.060 45.121 45.100 -0.064 0.000 0.623 372 G HN 1.670 nan 8.290 nan 0.000 0.514 373 V N -2.446 117.324 119.914 -0.240 0.000 0.691 373 V HA -0.278 3.843 4.120 0.001 0.000 0.092 373 V C 2.268 178.194 176.094 -0.280 0.000 0.770 373 V CA 2.876 64.997 62.300 -0.298 0.000 3.097 373 V CB -1.431 30.093 31.823 -0.498 0.000 0.182 373 V HN 2.032 nan 8.190 nan 0.000 0.068 374 G N -1.089 107.475 108.800 -0.393 0.000 2.679 374 G HA2 0.062 4.022 3.960 0.001 0.000 0.212 374 G HA3 0.062 4.022 3.960 0.001 0.000 0.212 374 G C 0.816 175.667 174.900 -0.082 0.000 1.137 374 G CA 0.994 45.974 45.100 -0.200 0.000 0.787 374 G HN 0.802 nan 8.290 nan 0.000 0.534 375 F N 1.612 121.570 119.950 0.014 0.000 2.234 375 F HA -0.004 4.523 4.527 0.001 0.000 0.299 375 F C 2.804 178.600 175.800 -0.006 0.000 1.087 375 F CA 1.068 59.077 58.000 0.014 0.000 1.340 375 F CB -1.257 37.754 39.000 0.017 0.000 1.031 375 F HN 0.015 nan 8.300 nan 0.000 0.500 376 T N 0.365 114.995 114.554 0.127 0.000 2.684 376 T HA -0.218 4.132 4.350 0.001 0.000 0.267 376 T C 2.384 177.104 174.700 0.033 0.000 1.036 376 T CA 1.583 63.714 62.100 0.050 0.000 1.148 376 T CB -0.796 68.072 68.868 0.001 0.000 0.863 376 T HN 0.294 nan 8.240 nan 0.000 0.436 377 A N 1.542 124.383 122.820 0.036 0.000 1.865 377 A HA 0.030 4.351 4.320 0.001 0.000 0.217 377 A C 2.674 180.241 177.584 -0.028 0.000 1.191 377 A CA 2.045 54.094 52.037 0.020 0.000 0.623 377 A CB -1.472 17.554 19.000 0.044 0.000 0.826 377 A HN 0.530 nan 8.150 nan 0.000 0.444 378 G N -1.284 107.518 108.800 0.003 0.000 2.422 378 G HA2 -0.210 3.750 3.960 0.001 0.000 0.218 378 G HA3 -0.210 3.750 3.960 0.001 0.000 0.218 378 G C 1.592 176.456 174.900 -0.060 0.000 1.140 378 G CA 1.299 46.382 45.100 -0.029 0.000 0.775 378 G HN 0.569 nan 8.290 nan 0.000 0.545 379 Q N 0.448 120.245 119.800 -0.004 0.000 2.050 379 Q HA -0.016 4.325 4.340 0.001 0.000 0.202 379 Q C 2.413 178.370 176.000 -0.071 0.000 0.980 379 Q CA 1.252 57.059 55.803 0.005 0.000 0.840 379 Q CB -0.382 28.383 28.738 0.045 0.000 0.898 379 Q HN 0.548 nan 8.270 nan 0.000 0.424 380 I N 0.112 120.619 120.570 -0.104 0.000 2.127 380 I HA -0.329 3.841 4.170 0.001 0.000 0.241 380 I C 2.258 178.126 176.117 -0.414 0.000 1.075 380 I CA 1.170 62.376 61.300 -0.158 0.000 1.334 380 I CB -0.595 37.350 38.000 -0.092 0.000 1.040 380 I HN 0.340 nan 8.210 nan 0.000 0.405 381 A N 0.556 122.957 122.820 -0.699 0.000 1.858 381 A HA -0.258 4.063 4.320 0.001 0.000 0.216 381 A C 2.466 179.599 177.584 -0.752 0.000 1.190 381 A CA 1.886 53.038 52.037 -1.476 0.000 0.617 381 A CB -0.692 17.658 19.000 -1.084 0.000 0.827 381 A HN 0.340 nan 8.150 nan 0.000 0.443 382 R N -0.654 119.622 120.500 -0.373 0.000 2.066 382 R HA -0.131 4.210 4.340 0.001 0.000 0.232 382 R C 1.990 178.168 176.300 -0.204 0.000 1.131 382 R CA 1.553 57.512 56.100 -0.236 0.000 0.955 382 R CB -0.240 29.977 30.300 -0.139 0.000 0.851 382 R HN 0.475 nan 8.270 nan 0.000 0.432 383 E N -0.165 119.954 120.200 -0.135 0.000 2.110 383 E HA -0.132 4.218 4.350 0.001 0.000 0.193 383 E C 1.919 178.468 176.600 -0.085 0.000 0.988 383 E CA 1.565 57.920 56.400 -0.076 0.000 0.804 383 E CB -0.310 29.389 29.700 -0.003 0.000 0.745 383 E HN 0.376 nan 8.360 nan 0.000 0.458 384 T N 1.665 116.161 114.554 -0.097 0.000 2.821 384 T HA -0.034 4.316 4.350 0.001 0.000 0.267 384 T C 2.084 176.807 174.700 0.039 0.000 1.046 384 T CA 0.624 62.727 62.100 0.005 0.000 1.139 384 T CB -0.105 68.835 68.868 0.119 0.000 0.871 384 T HN 0.088 nan 8.240 nan 0.000 0.454 385 L N 0.207 121.435 121.223 0.009 0.000 2.156 385 L HA 0.050 4.391 4.340 0.001 0.000 0.208 385 L C 2.380 179.197 176.870 -0.088 0.000 1.095 385 L CA 0.942 55.797 54.840 0.026 0.000 0.770 385 L CB -0.490 41.586 42.059 0.030 0.000 0.914 385 L HN 0.270 nan 8.230 nan 0.000 0.439 386 I N -0.065 120.406 120.570 -0.164 0.000 2.226 386 I HA -0.293 3.877 4.170 0.001 0.000 0.245 386 I C 1.997 178.034 176.117 -0.133 0.000 1.100 386 I CA 1.249 62.435 61.300 -0.190 0.000 1.374 386 I CB -0.303 37.577 38.000 -0.200 0.000 1.057 386 I HN 0.244 nan 8.210 nan 0.000 0.413 387 D N 0.352 120.692 120.400 -0.100 0.000 2.144 387 D HA -0.172 4.469 4.640 0.001 0.000 0.200 387 D C 2.227 178.488 176.300 -0.065 0.000 0.978 387 D CA 0.934 54.880 54.000 -0.089 0.000 0.833 387 D CB -0.188 40.569 40.800 -0.071 0.000 0.961 387 D HN 0.169 nan 8.370 nan 0.000 0.470 388 R N 0.316 120.794 120.500 -0.038 0.000 2.092 388 R HA -0.044 4.297 4.340 0.001 0.000 0.231 388 R C 2.011 178.288 176.300 -0.037 0.000 1.119 388 R CA 1.267 57.363 56.100 -0.007 0.000 0.970 388 R CB -0.071 30.254 30.300 0.041 0.000 0.864 388 R HN 0.105 nan 8.270 nan 0.000 0.440 389 A N 0.714 123.452 122.820 -0.137 0.000 1.898 389 A HA -0.081 4.239 4.320 0.001 0.000 0.216 389 A C 2.325 179.732 177.584 -0.295 0.000 1.181 389 A CA 1.564 53.377 52.037 -0.373 0.000 0.620 389 A CB -0.703 17.782 19.000 -0.858 0.000 0.819 389 A HN 0.516 nan 8.150 nan 0.000 0.442 390 A N -0.112 122.587 122.820 -0.201 0.000 1.865 390 A HA -0.190 4.130 4.320 0.001 0.000 0.217 390 A C 2.253 179.801 177.584 -0.061 0.000 1.191 390 A CA 1.612 53.572 52.037 -0.128 0.000 0.623 390 A CB -0.539 18.398 19.000 -0.106 0.000 0.826 390 A HN 0.527 nan 8.150 nan 0.000 0.444 391 R N -0.836 119.642 120.500 -0.037 0.000 2.105 391 R HA -0.201 4.140 4.340 0.001 0.000 0.239 391 R C 2.557 178.869 176.300 0.021 0.000 1.135 391 R CA 1.664 57.765 56.100 0.002 0.000 0.967 391 R CB -0.334 29.975 30.300 0.014 0.000 0.861 391 R HN 0.827 nan 8.270 nan 0.000 0.442 392 Q N 0.835 120.653 119.800 0.031 0.000 2.170 392 Q HA -0.129 4.211 4.340 0.001 0.000 0.203 392 Q C 1.664 177.714 176.000 0.083 0.000 0.976 392 Q CA 1.230 57.080 55.803 0.078 0.000 0.858 392 Q CB 0.111 28.940 28.738 0.153 0.000 0.907 392 Q HN 0.367 nan 8.270 nan 0.000 0.433 393 L N -1.100 120.157 121.223 0.056 0.000 2.567 393 L HA 0.261 4.601 4.340 0.001 0.000 0.225 393 L C 1.133 178.023 176.870 0.033 0.000 1.119 393 L CA 0.381 55.257 54.840 0.060 0.000 0.871 393 L CB 0.318 42.404 42.059 0.046 0.000 1.036 393 L HN 0.489 nan 8.230 nan 0.000 0.459 394 G N 0.937 109.750 108.800 0.023 0.000 2.147 394 G HA2 -0.252 3.708 3.960 0.001 0.000 0.244 394 G HA3 -0.252 3.708 3.960 0.001 0.000 0.244 394 G C -0.022 174.887 174.900 0.016 0.000 1.005 394 G CA -0.084 45.029 45.100 0.022 0.000 0.713 394 G HN 0.207 nan 8.290 nan 0.000 0.515 395 L N 0.850 122.074 121.223 0.002 0.000 2.352 395 L HA 0.697 5.038 4.340 0.001 0.000 0.269 395 L C 1.295 178.167 176.870 0.004 0.000 1.034 395 L CA -0.458 54.381 54.840 -0.001 0.000 0.806 395 L CB 1.749 43.792 42.059 -0.026 0.000 1.244 395 L HN 0.384 nan 8.230 nan 0.000 0.447 396 S N 1.175 116.894 115.700 0.032 0.000 2.603 396 S HA 0.272 4.742 4.470 0.001 0.000 0.268 396 S C -1.630 172.958 174.600 -0.020 0.000 1.317 396 S CA -1.018 57.216 58.200 0.056 0.000 1.012 396 S CB 1.016 64.320 63.200 0.173 0.000 0.926 396 S HN 0.522 nan 8.310 nan 0.000 0.539 397 P HA -0.074 nan 4.420 nan 0.000 0.222 397 P C 0.940 178.050 177.300 -0.316 0.000 1.147 397 P CA 1.142 64.068 63.100 -0.290 0.000 0.790 397 P CB -0.159 31.270 31.700 -0.452 0.000 0.780 398 F N 0.750 120.691 119.950 -0.015 0.000 2.187 398 F HA -0.043 4.484 4.527 0.001 0.000 0.295 398 F C 2.706 178.496 175.800 -0.016 0.000 1.091 398 F CA 0.961 58.954 58.000 -0.012 0.000 1.308 398 F CB -1.026 37.958 39.000 -0.027 0.000 1.030 398 F HN -0.060 nan 8.300 nan 0.000 0.487 399 E N 1.230 121.520 120.200 0.149 0.000 2.072 399 E HA -0.195 4.155 4.350 0.001 0.000 0.191 399 E C 2.072 178.667 176.600 -0.009 0.000 0.985 399 E CA 1.159 57.595 56.400 0.060 0.000 0.801 399 E CB -0.561 29.165 29.700 0.043 0.000 0.750 399 E HN 0.480 nan 8.360 nan 0.000 0.452 400 I N -0.099 120.445 120.570 -0.043 0.000 2.361 400 I HA -0.251 3.920 4.170 0.001 0.000 0.251 400 I C 2.098 178.134 176.117 -0.135 0.000 1.133 400 I CA 1.037 62.269 61.300 -0.115 0.000 1.413 400 I CB 0.020 37.945 38.000 -0.125 0.000 1.073 400 I HN 0.073 nan 8.210 nan 0.000 0.424 401 R N 0.085 120.573 120.500 -0.020 0.000 2.090 401 R HA -0.054 4.286 4.340 0.001 0.000 0.228 401 R C 2.347 178.679 176.300 0.054 0.000 1.110 401 R CA 0.932 57.090 56.100 0.098 0.000 0.973 401 R CB -0.223 30.197 30.300 0.199 0.000 0.869 401 R HN 0.348 nan 8.270 nan 0.000 0.440 402 R N 0.461 120.976 120.500 0.024 0.000 2.127 402 R HA -0.103 4.237 4.340 0.001 0.000 0.238 402 R C 1.961 178.228 176.300 -0.056 0.000 1.134 402 R CA 1.247 57.347 56.100 -0.000 0.000 0.975 402 R CB -0.155 30.149 30.300 0.007 0.000 0.865 402 R HN 0.202 nan 8.270 nan 0.000 0.447 403 R N -0.061 120.375 120.500 -0.105 0.000 2.307 403 R HA 0.072 4.412 4.340 0.001 0.000 0.199 403 R C 0.928 177.086 176.300 -0.236 0.000 1.000 403 R CA 0.497 56.502 56.100 -0.159 0.000 1.023 403 R CB 0.132 30.327 30.300 -0.174 0.000 0.908 403 R HN 0.279 nan 8.270 nan 0.000 0.473 404 N N -0.458 118.097 118.700 -0.241 0.000 2.168 404 N HA 0.017 4.757 4.740 0.001 0.000 0.216 404 N C -0.075 175.423 175.510 -0.020 0.000 1.259 404 N CA 0.018 52.916 53.050 -0.255 0.000 0.902 404 N CB 1.170 39.208 38.487 -0.749 0.000 1.079 404 N HN -0.080 nan 8.380 nan 0.000 0.507 405 V N 2.130 122.039 119.914 -0.009 0.000 2.924 405 V HA 0.112 4.232 4.120 0.001 0.000 0.305 405 V C 0.376 176.358 176.094 -0.186 0.000 1.073 405 V CA -0.232 62.007 62.300 -0.101 0.000 1.098 405 V CB 1.402 33.184 31.823 -0.069 0.000 1.000 405 V HN -0.151 nan 8.190 nan 0.000 0.484 406 V N 8.424 128.184 119.914 -0.257 0.000 2.485 406 V HA 0.076 4.196 4.120 0.001 0.000 0.287 406 V C 0.743 176.704 176.094 -0.222 0.000 1.022 406 V CA 0.086 62.114 62.300 -0.453 0.000 1.067 406 V CB 0.631 32.049 31.823 -0.676 0.000 0.967 406 V HN 0.750 nan 8.190 nan 0.000 0.479 407 M N 7.014 126.473 119.600 -0.235 0.000 2.247 407 M HA 0.293 4.773 4.480 0.001 0.000 0.326 407 M C -1.235 175.142 176.300 0.129 0.000 1.134 407 M CA -2.314 52.959 55.300 -0.046 0.000 1.136 407 M CB 0.432 32.987 32.600 -0.076 0.000 1.454 407 M HN 0.230 nan 8.290 nan 0.000 0.467 408 P HA -0.211 nan 4.420 nan 0.000 0.216 408 P C 0.999 178.426 177.300 0.212 0.000 1.153 408 P CA 1.553 64.765 63.100 0.187 0.000 0.858 408 P CB -0.071 31.639 31.700 0.017 0.000 0.789 409 E N -0.849 119.409 120.200 0.097 0.000 2.347 409 E HA -0.168 4.183 4.350 0.001 0.000 0.196 409 E C 0.803 177.446 176.600 0.071 0.000 1.008 409 E CA 0.972 57.411 56.400 0.065 0.000 0.852 409 E CB -0.737 28.973 29.700 0.017 0.000 0.783 409 E HN 0.232 nan 8.360 nan 0.000 0.505 410 D N 0.668 121.090 120.400 0.036 0.000 2.234 410 D HA 0.011 4.651 4.640 0.001 0.000 0.205 410 D C 0.004 176.313 176.300 0.016 0.000 0.962 410 D CA 0.346 54.308 54.000 -0.065 0.000 0.855 410 D CB -0.247 40.333 40.800 -0.366 0.000 0.951 410 D HN 0.112 nan 8.370 nan 0.000 0.500 411 F N 2.589 122.547 119.950 0.012 0.000 2.578 411 F HA 0.152 4.679 4.527 0.001 0.000 0.376 411 F C -1.261 174.564 175.800 0.041 0.000 1.085 411 F CA -1.520 56.504 58.000 0.041 0.000 1.260 411 F CB -0.286 38.697 39.000 -0.029 0.000 1.095 411 F HN -0.132 nan 8.300 nan 0.000 0.573 412 P HA 0.253 nan 4.420 nan 0.000 0.284 412 P C -1.288 176.104 177.300 0.153 0.000 1.253 412 P CA -0.226 62.984 63.100 0.183 0.000 0.800 412 P CB 1.227 32.995 31.700 0.113 0.000 0.961 413 F N 1.315 121.233 119.950 -0.054 0.000 2.539 413 F HA 0.369 4.897 4.527 0.001 0.000 0.318 413 F C -0.776 175.064 175.800 0.067 0.000 1.135 413 F CA -0.222 57.747 58.000 -0.053 0.000 0.915 413 F CB 1.965 40.842 39.000 -0.205 0.000 1.176 413 F HN 0.111 nan 8.300 nan 0.000 0.440 414 T N 6.038 120.174 114.554 -0.698 0.000 2.756 414 T HA 0.265 4.615 4.350 0.001 0.000 0.290 414 T C -0.198 174.108 174.700 -0.657 0.000 0.985 414 T CA -0.721 61.111 62.100 -0.447 0.000 0.955 414 T CB 0.387 69.094 68.868 -0.268 0.000 0.930 414 T HN 0.676 nan 8.240 nan 0.000 0.451 415 N N 2.182 120.768 118.700 -0.190 0.000 2.327 415 N HA 0.163 4.904 4.740 0.001 0.000 0.257 415 N C 1.183 176.701 175.510 0.014 0.000 1.281 415 N CA -0.818 52.243 53.050 0.018 0.000 0.942 415 N CB 0.519 39.207 38.487 0.335 0.000 1.199 415 N HN 0.275 nan 8.380 nan 0.000 0.532 416 R N -0.350 120.202 120.500 0.087 0.000 2.170 416 R HA 0.053 4.393 4.340 0.001 0.000 0.242 416 R C 0.975 177.316 176.300 0.068 0.000 1.145 416 R CA 1.456 57.597 56.100 0.069 0.000 0.984 416 R CB -0.721 29.636 30.300 0.095 0.000 0.869 416 R HN 0.738 nan 8.270 nan 0.000 0.455 417 L N -0.756 120.527 121.223 0.101 0.000 2.685 417 L HA 0.308 4.648 4.340 0.001 0.000 0.233 417 L C 0.875 177.830 176.870 0.143 0.000 1.173 417 L CA 0.313 55.212 54.840 0.099 0.000 0.961 417 L CB 0.098 42.220 42.059 0.105 0.000 1.217 417 L HN 0.558 nan 8.230 nan 0.000 0.478 418 G N 0.475 109.346 108.800 0.119 0.000 2.143 418 G HA2 -0.321 3.640 3.960 0.001 0.000 0.248 418 G HA3 -0.321 3.640 3.960 0.001 0.000 0.248 418 G C 0.159 175.168 174.900 0.182 0.000 0.991 418 G CA 0.056 45.235 45.100 0.133 0.000 0.689 418 G HN 0.469 nan 8.290 nan 0.000 0.522 419 Q N 0.775 120.658 119.800 0.139 0.000 2.278 419 Q HA 0.540 4.880 4.340 0.001 0.000 0.257 419 Q C -0.458 175.387 176.000 -0.257 0.000 0.928 419 Q CA -0.211 55.485 55.803 -0.179 0.000 0.932 419 Q CB 0.684 29.277 28.738 -0.241 0.000 1.221 419 Q HN 0.188 nan 8.270 nan 0.000 0.434 420 T N 4.313 118.688 114.554 -0.298 0.000 2.744 420 T HA 0.261 4.612 4.350 0.001 0.000 0.291 420 T C -1.081 173.503 174.700 -0.195 0.000 0.957 420 T CA -0.452 61.544 62.100 -0.173 0.000 1.002 420 T CB 0.183 68.986 68.868 -0.110 0.000 0.919 420 T HN 0.493 nan 8.240 nan 0.000 0.468 421 H N 1.979 121.057 119.070 0.013 0.000 2.562 421 H HA 0.411 4.967 4.556 0.001 0.000 0.314 421 H C 1.172 176.619 175.328 0.198 0.000 1.079 421 H CA -0.565 55.533 56.048 0.083 0.000 1.349 421 H CB 1.136 30.884 29.762 -0.024 0.000 1.432 421 H HN 0.514 nan 8.280 nan 0.000 0.479 422 R N 1.503 122.229 120.500 0.375 0.000 2.225 422 R HA 0.079 4.420 4.340 0.001 0.000 0.194 422 R C -0.271 176.156 176.300 0.212 0.000 0.949 422 R CA 0.267 56.560 56.100 0.322 0.000 1.088 422 R CB 0.844 31.204 30.300 0.100 0.000 1.106 422 R HN 0.673 nan 8.270 nan 0.000 0.566 423 E N 0.532 120.734 120.200 0.004 0.000 2.349 423 E HA 0.440 4.790 4.350 0.001 0.000 0.290 423 E C -1.126 175.240 176.600 -0.389 0.000 0.901 423 E CA -0.629 55.530 56.400 -0.402 0.000 0.800 423 E CB 1.743 31.298 29.700 -0.241 0.000 1.303 423 E HN 0.164 nan 8.360 nan 0.000 0.397 424 G N 0.727 109.092 108.800 -0.725 0.000 2.559 424 G HA2 0.465 4.426 3.960 0.001 0.000 0.291 424 G HA3 0.465 4.426 3.960 0.001 0.000 0.291 424 G C -0.648 173.927 174.900 -0.542 0.000 1.424 424 G CA -0.261 44.535 45.100 -0.506 0.000 0.786 424 G HN 0.510 nan 8.290 nan 0.000 0.485 425 T N -1.177 113.207 114.554 -0.282 0.000 3.256 425 T HA 0.286 4.636 4.350 0.001 0.000 0.249 425 T C 0.807 175.513 174.700 0.010 0.000 0.975 425 T CA -0.431 61.574 62.100 -0.159 0.000 1.011 425 T CB -0.347 68.460 68.868 -0.102 0.000 1.127 425 T HN 0.369 nan 8.240 nan 0.000 0.543 426 Y N 1.060 121.343 120.300 -0.029 0.000 2.053 426 Y HA -0.052 4.499 4.550 0.001 0.000 0.277 426 Y C 2.227 178.093 175.900 -0.056 0.000 1.159 426 Y CA 0.283 58.344 58.100 -0.064 0.000 1.125 426 Y CB -1.279 37.142 38.460 -0.065 0.000 0.969 426 Y HN 0.374 nan 8.280 nan 0.000 0.492 427 L N 0.481 121.786 121.223 0.138 0.000 2.012 427 L HA -0.230 4.111 4.340 0.001 0.000 0.210 427 L C 2.483 179.370 176.870 0.028 0.000 1.073 427 L CA 2.141 57.018 54.840 0.062 0.000 0.748 427 L CB -1.109 40.971 42.059 0.035 0.000 0.891 427 L HN 0.371 nan 8.230 nan 0.000 0.431 428 Q N -1.569 118.232 119.800 0.003 0.000 2.170 428 Q HA -0.201 4.140 4.340 0.001 0.000 0.203 428 Q C 1.838 177.830 176.000 -0.013 0.000 0.976 428 Q CA 2.089 57.881 55.803 -0.019 0.000 0.858 428 Q CB -0.062 28.652 28.738 -0.041 0.000 0.907 428 Q HN 0.583 nan 8.270 nan 0.000 0.433 429 T N 0.850 115.406 114.554 0.003 0.000 2.777 429 T HA -0.086 4.264 4.350 0.001 0.000 0.266 429 T C 1.713 176.429 174.700 0.027 0.000 1.040 429 T CA 1.308 63.408 62.100 -0.000 0.000 1.141 429 T CB -0.140 68.719 68.868 -0.014 0.000 0.868 429 T HN 0.291 nan 8.240 nan 0.000 0.444 430 I N 1.525 122.130 120.570 0.058 0.000 2.163 430 I HA -0.227 3.944 4.170 0.001 0.000 0.243 430 I C 2.267 178.416 176.117 0.054 0.000 1.085 430 I CA 1.463 62.841 61.300 0.129 0.000 1.347 430 I CB -0.520 37.564 38.000 0.141 0.000 1.044 430 I HN 0.336 nan 8.210 nan 0.000 0.408 431 N N 0.657 119.349 118.700 -0.012 0.000 2.142 431 N HA -0.148 4.593 4.740 0.001 0.000 0.186 431 N C 2.041 177.473 175.510 -0.130 0.000 1.023 431 N CA 0.762 53.761 53.050 -0.086 0.000 0.852 431 N CB -0.002 38.449 38.487 -0.060 0.000 0.998 431 N HN 0.295 nan 8.380 nan 0.000 0.424 432 L N 0.682 121.854 121.223 -0.084 0.000 2.056 432 L HA -0.114 4.227 4.340 0.001 0.000 0.207 432 L C 2.170 178.969 176.870 -0.118 0.000 1.078 432 L CA 0.862 55.649 54.840 -0.088 0.000 0.749 432 L CB -0.142 41.886 42.059 -0.051 0.000 0.901 432 L HN 0.229 nan 8.230 nan 0.000 0.433 433 L N 0.427 121.600 121.223 -0.083 0.000 2.042 433 L HA -0.271 4.069 4.340 0.001 0.000 0.210 433 L C 2.438 179.143 176.870 -0.276 0.000 1.076 433 L CA 2.030 56.833 54.840 -0.062 0.000 0.749 433 L CB -0.603 41.530 42.059 0.124 0.000 0.893 433 L HN 0.328 nan 8.230 nan 0.000 0.432 434 E N -0.741 119.117 120.200 -0.570 0.000 2.077 434 E HA -0.263 4.088 4.350 0.001 0.000 0.193 434 E C 2.031 178.286 176.600 -0.576 0.000 0.989 434 E CA 1.470 57.207 56.400 -1.105 0.000 0.800 434 E CB -0.109 28.801 29.700 -1.317 0.000 0.746 434 E HN 0.618 nan 8.360 nan 0.000 0.452 435 E N -0.101 119.877 120.200 -0.369 0.000 2.085 435 E HA -0.214 4.136 4.350 0.001 0.000 0.194 435 E C 2.180 178.633 176.600 -0.245 0.000 0.994 435 E CA 1.530 57.782 56.400 -0.247 0.000 0.801 435 E CB -0.067 29.535 29.700 -0.163 0.000 0.743 435 E HN 0.392 nan 8.360 nan 0.000 0.453 436 M N 0.017 119.456 119.600 -0.269 0.000 2.117 436 M HA -0.172 4.308 4.480 0.001 0.000 0.262 436 M C 2.387 178.301 176.300 -0.642 0.000 1.065 436 M CA 1.152 56.268 55.300 -0.305 0.000 1.114 436 M CB -0.142 32.333 32.600 -0.208 0.000 1.361 436 M HN 0.022 nan 8.290 nan 0.000 0.408 437 V N -0.013 119.434 119.914 -0.779 0.000 2.379 437 V HA -0.163 3.958 4.120 0.001 0.000 0.245 437 V C 0.878 176.752 176.094 -0.367 0.000 1.044 437 V CA 1.082 62.879 62.300 -0.838 0.000 1.036 437 V CB -0.779 30.749 31.823 -0.491 0.000 0.664 437 V HN 0.755 nan 8.190 nan 0.000 0.453 438 N N -0.397 118.140 118.700 -0.271 0.000 2.663 438 N HA -0.137 4.604 4.740 0.001 0.000 0.263 438 N C -1.132 174.365 175.510 -0.022 0.000 1.109 438 N CA 0.811 53.784 53.050 -0.129 0.000 0.701 438 N CB -0.525 37.920 38.487 -0.070 0.000 0.879 438 N HN 0.300 nan 8.380 nan 0.000 0.550 439 P HA -0.221 nan 4.420 nan 0.000 0.217 439 P C 1.238 178.634 177.300 0.160 0.000 1.148 439 P CA 1.455 64.640 63.100 0.143 0.000 0.834 439 P CB 0.253 32.042 31.700 0.149 0.000 0.783 440 E N 0.218 120.459 120.200 0.070 0.000 2.058 440 E HA -0.177 4.173 4.350 0.001 0.000 0.194 440 E C 2.121 178.752 176.600 0.052 0.000 0.997 440 E CA 1.375 57.805 56.400 0.050 0.000 0.801 440 E CB -0.476 29.233 29.700 0.015 0.000 0.746 440 E HN 0.140 nan 8.360 nan 0.000 0.450 441 A N 0.407 123.263 122.820 0.059 0.000 1.930 441 A HA -0.144 4.176 4.320 0.001 0.000 0.217 441 A C 1.967 179.597 177.584 0.078 0.000 1.175 441 A CA 1.124 53.194 52.037 0.055 0.000 0.627 441 A CB -0.795 18.240 19.000 0.058 0.000 0.815 441 A HN 0.520 nan 8.150 nan 0.000 0.443 442 F N 0.827 120.788 119.950 0.018 0.000 2.134 442 F HA -0.155 4.373 4.527 0.001 0.000 0.299 442 F C 2.270 178.088 175.800 0.031 0.000 1.097 442 F CA 1.944 59.966 58.000 0.037 0.000 1.264 442 F CB -0.320 38.709 39.000 0.049 0.000 1.001 442 F HN 0.220 nan 8.300 nan 0.000 0.479 443 R N 0.048 120.475 120.500 -0.122 0.000 2.105 443 R HA -0.206 4.135 4.340 0.001 0.000 0.239 443 R C 2.409 178.580 176.300 -0.214 0.000 1.135 443 R CA 1.653 57.636 56.100 -0.195 0.000 0.967 443 R CB -0.496 29.799 30.300 -0.009 0.000 0.861 443 R HN 0.393 nan 8.270 nan 0.000 0.442 444 Q N 0.703 120.422 119.800 -0.135 0.000 2.049 444 Q HA -0.181 4.160 4.340 0.001 0.000 0.198 444 Q C 2.074 177.992 176.000 -0.136 0.000 0.971 444 Q CA 1.537 57.280 55.803 -0.101 0.000 0.833 444 Q CB -0.133 28.576 28.738 -0.048 0.000 0.896 444 Q HN 0.342 nan 8.270 nan 0.000 0.434 445 R N 0.247 120.645 120.500 -0.169 0.000 2.092 445 R HA -0.149 4.191 4.340 0.001 0.000 0.231 445 R C 2.289 178.443 176.300 -0.243 0.000 1.119 445 R CA 1.638 57.643 56.100 -0.157 0.000 0.970 445 R CB -0.133 30.111 30.300 -0.093 0.000 0.864 445 R HN 0.299 nan 8.270 nan 0.000 0.440 446 Q N -0.048 119.469 119.800 -0.471 0.000 2.020 446 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 446 Q C 1.942 177.802 176.000 -0.233 0.000 0.982 446 Q CA 1.784 57.318 55.803 -0.449 0.000 0.838 446 Q CB -0.190 28.107 28.738 -0.736 0.000 0.899 446 Q HN 0.444 nan 8.270 nan 0.000 0.423 447 A N 0.915 123.612 122.820 -0.205 0.000 1.940 447 A HA -0.213 4.107 4.320 0.001 0.000 0.219 447 A C 1.683 179.212 177.584 -0.092 0.000 1.176 447 A CA 1.741 53.701 52.037 -0.128 0.000 0.631 447 A CB -0.514 18.425 19.000 -0.102 0.000 0.814 447 A HN 0.557 nan 8.150 nan 0.000 0.446 448 E N -0.722 119.424 120.200 -0.090 0.000 2.511 448 E HA 0.147 4.497 4.350 0.001 0.000 0.196 448 E C 1.810 178.380 176.600 -0.051 0.000 1.066 448 E CA 0.366 56.730 56.400 -0.060 0.000 0.871 448 E CB -0.061 29.608 29.700 -0.052 0.000 0.863 448 E HN 0.648 nan 8.360 nan 0.000 0.520 449 A N 0.957 123.741 122.820 -0.060 0.000 1.997 449 A HA -0.012 4.308 4.320 0.001 0.000 0.212 449 A C 1.914 179.483 177.584 -0.025 0.000 1.178 449 A CA 0.150 52.164 52.037 -0.039 0.000 0.698 449 A CB 0.139 19.120 19.000 -0.032 0.000 0.842 449 A HN -0.010 nan 8.150 nan 0.000 0.458 450 R N 0.321 120.809 120.500 -0.019 0.000 2.091 450 R HA -0.119 4.221 4.340 0.001 0.000 0.238 450 R C 2.245 178.546 176.300 0.003 0.000 1.136 450 R CA 1.467 57.576 56.100 0.015 0.000 0.959 450 R CB -1.260 29.037 30.300 -0.005 0.000 0.856 450 R HN 0.488 nan 8.270 nan 0.000 0.437 451 A N 1.165 123.977 122.820 -0.012 0.000 2.131 451 A HA -0.136 4.185 4.320 0.001 0.000 0.220 451 A C 1.726 179.298 177.584 -0.020 0.000 1.158 451 A CA 1.154 53.184 52.037 -0.012 0.000 0.665 451 A CB -0.255 18.736 19.000 -0.016 0.000 0.795 451 A HN 0.250 nan 8.150 nan 0.000 0.460 452 R N -1.555 118.926 120.500 -0.031 0.000 2.468 452 R HA 0.276 4.617 4.340 0.001 0.000 0.280 452 R C 0.934 177.192 176.300 -0.071 0.000 0.963 452 R CA 0.391 56.465 56.100 -0.043 0.000 1.083 452 R CB 0.131 30.407 30.300 -0.039 0.000 1.200 452 R HN 0.569 nan 8.270 nan 0.000 0.541 453 G N 2.178 110.930 108.800 -0.080 0.000 2.221 453 G HA2 -0.260 3.700 3.960 0.001 0.000 0.265 453 G HA3 -0.260 3.700 3.960 0.001 0.000 0.265 453 G C -0.347 174.388 174.900 -0.275 0.000 1.041 453 G CA 0.225 45.232 45.100 -0.156 0.000 0.807 453 G HN 0.078 nan 8.290 nan 0.000 0.502 454 K N -0.253 120.026 120.400 -0.202 0.000 2.345 454 K HA 0.429 4.750 4.320 0.001 0.000 0.255 454 K C -0.623 175.949 176.600 -0.047 0.000 0.934 454 K CA -0.757 55.417 56.287 -0.187 0.000 0.801 454 K CB 1.575 34.033 32.500 -0.070 0.000 1.137 454 K HN 0.309 nan 8.250 nan 0.000 0.424 455 Y N 2.623 122.959 120.300 0.061 0.000 2.434 455 Y HA 0.264 4.815 4.550 0.001 0.000 0.341 455 Y C 0.214 176.170 175.900 0.093 0.000 0.965 455 Y CA -1.172 56.982 58.100 0.090 0.000 1.205 455 Y CB 1.145 39.707 38.460 0.171 0.000 1.121 455 Y HN 0.290 nan 8.280 nan 0.000 0.507 456 L N 3.350 124.708 121.223 0.224 0.000 2.307 456 L HA 0.788 5.128 4.340 0.001 0.000 0.282 456 L C 0.130 177.203 176.870 0.338 0.000 1.051 456 L CA 0.006 54.983 54.840 0.228 0.000 0.804 456 L CB 1.433 43.563 42.059 0.119 0.000 1.197 456 L HN 0.681 nan 8.230 nan 0.000 0.431 457 G N 3.969 113.004 108.800 0.392 0.000 2.682 457 G HA2 0.544 4.505 3.960 0.001 0.000 0.300 457 G HA3 0.544 4.505 3.960 0.001 0.000 0.300 457 G C -2.269 172.702 174.900 0.118 0.000 1.391 457 G CA -0.557 44.750 45.100 0.345 0.000 0.990 457 G HN 0.579 nan 8.290 nan 0.000 0.501 458 L N 1.754 122.896 121.223 -0.135 0.000 2.307 458 L HA 0.886 5.227 4.340 0.001 0.000 0.284 458 L C 0.325 177.063 176.870 -0.220 0.000 1.023 458 L CA -0.450 54.109 54.840 -0.468 0.000 0.810 458 L CB 1.728 43.213 42.059 -0.957 0.000 1.231 458 L HN 0.683 nan 8.230 nan 0.000 0.423 459 G N 4.316 113.001 108.800 -0.191 0.000 2.513 459 G HA2 0.636 4.597 3.960 0.001 0.000 0.317 459 G HA3 0.636 4.597 3.960 0.001 0.000 0.317 459 G C -1.736 173.082 174.900 -0.137 0.000 1.277 459 G CA -0.481 44.538 45.100 -0.134 0.000 0.955 459 G HN 0.538 nan 8.290 nan 0.000 0.484 460 V N 0.715 120.544 119.914 -0.142 0.000 2.680 460 V HA 0.796 4.917 4.120 0.001 0.000 0.309 460 V C -0.092 175.992 176.094 -0.016 0.000 1.052 460 V CA -0.773 61.453 62.300 -0.123 0.000 0.908 460 V CB 1.945 33.554 31.823 -0.357 0.000 1.001 460 V HN 0.803 nan 8.190 nan 0.000 0.431 461 S N 3.281 119.037 115.700 0.093 0.000 2.677 461 S HA 0.714 5.184 4.470 0.001 0.000 0.283 461 S C -1.301 173.457 174.600 0.263 0.000 1.159 461 S CA -0.394 57.911 58.200 0.175 0.000 1.001 461 S CB 1.463 64.784 63.200 0.202 0.000 1.032 461 S HN 0.477 nan 8.310 nan 0.000 0.487 462 V N 6.494 126.549 119.914 0.235 0.000 2.495 462 V HA 0.800 4.921 4.120 0.001 0.000 0.298 462 V C -0.443 175.753 176.094 0.170 0.000 1.031 462 V CA -0.580 61.821 62.300 0.167 0.000 0.871 462 V CB 1.050 32.908 31.823 0.057 0.000 0.988 462 V HN 0.813 nan 8.190 nan 0.000 0.432 463 F N 3.160 123.094 119.950 -0.027 0.000 2.692 463 F HA 0.888 5.415 4.527 0.001 0.000 0.320 463 F C -0.875 174.861 175.800 -0.107 0.000 1.123 463 F CA -1.094 56.869 58.000 -0.062 0.000 0.961 463 F CB 1.882 40.906 39.000 0.039 0.000 1.383 463 F HN 0.502 nan 8.300 nan 0.000 0.483 464 N N 0.147 118.787 118.700 -0.098 0.000 2.455 464 N HA 0.537 5.278 4.740 0.001 0.000 0.278 464 N C -2.080 173.534 175.510 0.174 0.000 1.291 464 N CA -0.628 52.362 53.050 -0.099 0.000 0.780 464 N CB 2.575 40.998 38.487 -0.106 0.000 1.520 464 N HN 1.006 nan 8.380 nan 0.000 0.486 465 E N 0.282 120.562 120.200 0.133 0.000 2.335 465 E HA 0.341 4.691 4.350 0.001 0.000 0.280 465 E C -1.357 175.243 176.600 -0.001 0.000 0.918 465 E CA -0.924 55.519 56.400 0.073 0.000 0.765 465 E CB 2.179 32.031 29.700 0.253 0.000 1.218 465 E HN 0.520 nan 8.360 nan 0.000 0.425 466 V N 1.622 121.483 119.914 -0.089 0.000 2.488 466 V HA 0.607 4.727 4.120 0.001 0.000 0.277 466 V C 0.104 176.222 176.094 0.041 0.000 1.046 466 V CA 0.393 62.676 62.300 -0.029 0.000 0.986 466 V CB 0.313 32.140 31.823 0.007 0.000 0.989 466 V HN 0.734 nan 8.190 nan 0.000 0.475 467 T N 0.572 115.150 114.554 0.040 0.000 2.858 467 T HA 0.741 5.091 4.350 0.001 0.000 0.285 467 T C 0.929 175.651 174.700 0.036 0.000 1.052 467 T CA -0.099 62.033 62.100 0.053 0.000 1.009 467 T CB 1.250 70.153 68.868 0.059 0.000 1.241 467 T HN 2.331 nan 8.240 nan 0.000 0.542 468 G N 1.151 109.967 108.800 0.026 0.000 2.258 468 G HA2 -0.255 3.705 3.960 0.001 0.000 0.274 468 G HA3 -0.255 3.705 3.960 0.001 0.000 0.274 468 G C 0.225 175.128 174.900 0.005 0.000 1.021 468 G CA 0.276 45.389 45.100 0.022 0.000 0.798 468 G HN 1.260 nan 8.290 nan 0.000 0.507 469 T N 0.789 115.348 114.554 0.010 0.000 2.609 469 T HA 0.401 4.751 4.350 0.001 0.000 0.257 469 T C 1.134 175.849 174.700 0.024 0.000 1.032 469 T CA 1.060 63.191 62.100 0.052 0.000 1.244 469 T CB 0.665 69.609 68.868 0.127 0.000 1.003 469 T HN 1.216 nan 8.240 nan 0.000 0.507 470 G N 2.313 111.123 108.800 0.016 0.000 3.222 470 G HA2 0.455 4.415 3.960 0.001 0.000 0.263 470 G HA3 0.455 4.415 3.960 0.001 0.000 0.263 470 G C 1.061 175.957 174.900 -0.006 0.000 1.312 470 G CA -0.416 44.660 45.100 -0.041 0.000 0.934 470 G HN 0.411 nan 8.290 nan 0.000 0.577 471 T N 0.857 115.385 114.554 -0.045 0.000 2.624 471 T HA -0.177 4.174 4.350 0.001 0.000 0.268 471 T C 2.597 177.320 174.700 0.038 0.000 1.041 471 T CA 1.655 63.754 62.100 -0.002 0.000 1.159 471 T CB -0.164 68.699 68.868 -0.009 0.000 0.863 471 T HN 0.237 nan 8.240 nan 0.000 0.434 472 R N 0.962 121.474 120.500 0.019 0.000 2.081 472 R HA 0.011 4.352 4.340 0.001 0.000 0.235 472 R C 2.760 179.116 176.300 0.093 0.000 1.131 472 R CA 1.351 57.471 56.100 0.034 0.000 0.960 472 R CB -1.629 28.655 30.300 -0.027 0.000 0.856 472 R HN 0.409 nan 8.270 nan 0.000 0.436 473 T N 1.498 116.109 114.554 0.094 0.000 2.777 473 T HA 0.021 4.371 4.350 0.001 0.000 0.266 473 T C 1.881 176.725 174.700 0.240 0.000 1.040 473 T CA 0.896 63.103 62.100 0.180 0.000 1.141 473 T CB -0.132 68.823 68.868 0.144 0.000 0.868 473 T HN 0.095 nan 8.240 nan 0.000 0.444 474 L N 0.743 122.074 121.223 0.180 0.000 2.131 474 L HA -0.079 4.261 4.340 0.001 0.000 0.210 474 L C 2.819 179.777 176.870 0.147 0.000 1.092 474 L CA 0.829 55.775 54.840 0.177 0.000 0.759 474 L CB -0.581 41.576 42.059 0.163 0.000 0.903 474 L HN 0.228 nan 8.230 nan 0.000 0.435 475 S N -0.098 115.684 115.700 0.136 0.000 2.355 475 S HA -0.179 4.292 4.470 0.001 0.000 0.222 475 S C 1.800 176.476 174.600 0.127 0.000 1.031 475 S CA 1.246 59.514 58.200 0.114 0.000 0.993 475 S CB -0.368 62.893 63.200 0.102 0.000 0.859 475 S HN 0.413 nan 8.310 nan 0.000 0.453 476 F N 2.453 122.433 119.950 0.049 0.000 2.161 476 F HA -0.036 4.491 4.527 0.001 0.000 0.300 476 F C 1.560 177.400 175.800 0.067 0.000 1.089 476 F CA 1.262 59.286 58.000 0.040 0.000 1.282 476 F CB -0.395 38.616 39.000 0.019 0.000 1.010 476 F HN 0.094 nan 8.300 nan 0.000 0.485 477 L N 0.070 121.212 121.223 -0.136 0.000 2.610 477 L HA 0.139 4.480 4.340 0.001 0.000 0.232 477 L C 1.779 178.634 176.870 -0.024 0.000 1.149 477 L CA 0.721 55.468 54.840 -0.153 0.000 0.872 477 L CB -1.130 41.009 42.059 0.134 0.000 0.992 477 L HN 0.493 nan 8.230 nan 0.000 0.447 478 G N 0.632 109.440 108.800 0.014 0.000 2.136 478 G HA2 -0.279 3.682 3.960 0.001 0.000 0.242 478 G HA3 -0.279 3.682 3.960 0.001 0.000 0.242 478 G C 0.462 175.484 174.900 0.202 0.000 0.989 478 G CA 0.434 45.624 45.100 0.150 0.000 0.682 478 G HN 0.396 nan 8.290 nan 0.000 0.522 479 T N -0.838 113.784 114.554 0.114 0.000 3.466 479 T HA 0.604 4.954 4.350 0.001 0.000 0.297 479 T C -2.066 172.665 174.700 0.052 0.000 1.640 479 T CA -1.315 60.804 62.100 0.032 0.000 1.631 479 T CB 2.098 70.995 68.868 0.048 0.000 0.928 479 T HN 0.222 nan 8.240 nan 0.000 0.688 480 P HA 0.165 nan 4.420 nan 0.000 0.257 480 P C -0.564 176.770 177.300 0.057 0.000 1.162 480 P CA 0.641 63.772 63.100 0.052 0.000 0.762 480 P CB 0.288 32.011 31.700 0.038 0.000 0.753 481 T N 1.861 116.463 114.554 0.081 0.000 3.291 481 T HA 0.204 4.555 4.350 0.001 0.000 0.344 481 T C -0.555 174.195 174.700 0.083 0.000 1.293 481 T CA -0.455 61.709 62.100 0.108 0.000 1.108 481 T CB 1.142 70.108 68.868 0.163 0.000 1.231 481 T HN 0.144 nan 8.240 nan 0.000 0.474 482 T N 3.718 118.323 114.554 0.086 0.000 2.806 482 T HA 0.597 4.948 4.350 0.001 0.000 0.290 482 T C 0.748 175.411 174.700 -0.061 0.000 0.966 482 T CA -0.457 61.662 62.100 0.031 0.000 1.060 482 T CB 0.711 69.616 68.868 0.061 0.000 0.927 482 T HN 0.804 nan 8.240 nan 0.000 0.485 483 T N 0.657 115.045 114.554 -0.277 0.000 2.936 483 T HA 0.503 4.854 4.350 0.001 0.000 0.282 483 T C -0.731 173.785 174.700 -0.306 0.000 1.003 483 T CA -0.849 60.756 62.100 -0.826 0.000 1.005 483 T CB 1.405 69.797 68.868 -0.794 0.000 1.097 483 T HN 0.621 nan 8.240 nan 0.000 0.532 484 H N 0.566 119.455 119.070 -0.301 0.000 3.017 484 H HA 0.369 4.926 4.556 0.001 0.000 0.340 484 H C -1.958 173.522 175.328 0.253 0.000 1.014 484 H CA -0.524 55.592 56.048 0.114 0.000 1.341 484 H CB 1.569 31.508 29.762 0.294 0.000 1.739 484 H HN 0.860 nan 8.280 nan 0.000 0.506 485 D N 2.990 123.420 120.400 0.049 0.000 2.375 485 D HA 0.173 4.813 4.640 0.001 0.000 0.241 485 D C -0.625 175.722 176.300 0.078 0.000 1.361 485 D CA -0.383 53.712 54.000 0.159 0.000 0.995 485 D CB 1.562 42.429 40.800 0.112 0.000 1.312 485 D HN 0.491 nan 8.370 nan 0.000 0.576 486 S N 0.704 116.500 115.700 0.160 0.000 2.651 486 S HA 0.923 5.394 4.470 0.001 0.000 0.291 486 S C -0.288 174.372 174.600 0.099 0.000 1.141 486 S CA -0.753 57.514 58.200 0.112 0.000 1.027 486 S CB 2.107 65.417 63.200 0.183 0.000 1.043 486 S HN 0.445 nan 8.310 nan 0.000 0.530 487 A N 1.040 123.897 122.820 0.063 0.000 2.498 487 A HA 0.810 5.131 4.320 0.001 0.000 0.298 487 A C -0.459 177.148 177.584 0.038 0.000 1.075 487 A CA -0.819 51.243 52.037 0.041 0.000 0.714 487 A CB 1.594 20.600 19.000 0.010 0.000 1.299 487 A HN 0.807 nan 8.150 nan 0.000 0.407 488 T N 0.730 115.305 114.554 0.035 0.000 2.863 488 T HA 0.631 4.981 4.350 0.001 0.000 0.285 488 T C -1.030 173.685 174.700 0.026 0.000 1.009 488 T CA -0.358 61.761 62.100 0.032 0.000 0.989 488 T CB 1.476 70.367 68.868 0.038 0.000 1.004 488 T HN 0.663 nan 8.240 nan 0.000 0.455 489 V N 3.104 123.033 119.914 0.025 0.000 2.577 489 V HA 0.614 4.735 4.120 0.001 0.000 0.303 489 V C -0.283 175.836 176.094 0.043 0.000 1.042 489 V CA -0.915 61.404 62.300 0.031 0.000 0.872 489 V CB 1.962 33.799 31.823 0.024 0.000 0.998 489 V HN 0.757 nan 8.190 nan 0.000 0.423 490 R N 4.614 125.149 120.500 0.059 0.000 2.534 490 R HA 0.686 5.027 4.340 0.001 0.000 0.301 490 R C -1.447 174.920 176.300 0.112 0.000 0.961 490 R CA -0.706 55.441 56.100 0.080 0.000 0.871 490 R CB 1.634 31.982 30.300 0.079 0.000 1.170 490 R HN 0.715 nan 8.270 nan 0.000 0.446 491 I N 4.511 125.170 120.570 0.149 0.000 2.297 491 I HA 0.143 4.314 4.170 0.001 0.000 0.291 491 I C -0.033 176.198 176.117 0.189 0.000 1.033 491 I CA -0.543 60.872 61.300 0.192 0.000 1.253 491 I CB 1.255 39.384 38.000 0.214 0.000 1.396 491 I HN 0.488 nan 8.210 nan 0.000 0.476 492 D N 8.316 128.776 120.400 0.099 0.000 2.382 492 D HA 0.069 4.709 4.640 0.001 0.000 0.240 492 D C -1.488 174.703 176.300 -0.183 0.000 1.146 492 D CA -1.162 52.819 54.000 -0.032 0.000 0.897 492 D CB 0.979 41.772 40.800 -0.012 0.000 1.197 492 D HN 0.242 nan 8.370 nan 0.000 0.432 493 P HA -0.182 nan 4.420 nan 0.000 0.218 493 P C 1.244 178.438 177.300 -0.178 0.000 1.154 493 P CA 1.917 64.620 63.100 -0.661 0.000 0.872 493 P CB 0.001 31.351 31.700 -0.583 0.000 0.790 494 T N -5.629 108.878 114.554 -0.079 0.000 3.148 494 T HA 0.295 4.645 4.350 0.001 0.000 0.253 494 T C 1.428 176.144 174.700 0.028 0.000 1.134 494 T CA 0.527 62.626 62.100 -0.001 0.000 1.051 494 T CB -0.836 68.042 68.868 0.016 0.000 0.959 494 T HN 0.283 nan 8.240 nan 0.000 0.525 495 G N 0.878 109.691 108.800 0.021 0.000 2.176 495 G HA2 -0.185 3.776 3.960 0.001 0.000 0.232 495 G HA3 -0.185 3.776 3.960 0.001 0.000 0.232 495 G C 0.073 175.150 174.900 0.294 0.000 0.986 495 G CA -0.225 44.959 45.100 0.140 0.000 0.643 495 G HN 0.542 nan 8.290 nan 0.000 0.522 496 K N -0.066 120.428 120.400 0.158 0.000 2.098 496 K HA 0.748 5.068 4.320 0.001 0.000 0.244 496 K C 0.262 176.949 176.600 0.144 0.000 1.014 496 K CA -0.567 55.800 56.287 0.133 0.000 0.917 496 K CB 1.698 34.242 32.500 0.072 0.000 1.072 496 K HN 0.248 nan 8.250 nan 0.000 0.477 497 V N 0.955 120.932 119.914 0.104 0.000 2.588 497 V HA 0.316 4.437 4.120 0.001 0.000 0.304 497 V C -0.456 175.674 176.094 0.060 0.000 1.042 497 V CA -0.794 61.562 62.300 0.094 0.000 0.877 497 V CB 2.002 33.870 31.823 0.075 0.000 0.996 497 V HN 0.697 nan 8.190 nan 0.000 0.425 498 T N 4.166 118.755 114.554 0.059 0.000 2.791 498 T HA 0.571 4.921 4.350 0.001 0.000 0.288 498 T C -0.389 174.334 174.700 0.039 0.000 0.999 498 T CA -0.330 61.796 62.100 0.044 0.000 0.952 498 T CB 1.385 70.279 68.868 0.044 0.000 0.938 498 T HN 0.355 nan 8.240 nan 0.000 0.444 499 V N 3.787 123.718 119.914 0.029 0.000 2.483 499 V HA 0.576 4.696 4.120 0.001 0.000 0.295 499 V C 0.236 176.343 176.094 0.023 0.000 1.035 499 V CA -0.666 61.647 62.300 0.022 0.000 0.896 499 V CB 1.951 33.780 31.823 0.011 0.000 0.986 499 V HN 0.917 nan 8.190 nan 0.000 0.447 500 T N 2.961 117.530 114.554 0.024 0.000 2.812 500 T HA 0.531 4.881 4.350 0.001 0.000 0.282 500 T C -0.229 174.487 174.700 0.028 0.000 0.990 500 T CA -0.320 61.797 62.100 0.028 0.000 0.960 500 T CB 1.578 70.466 68.868 0.033 0.000 0.948 500 T HN 0.780 nan 8.240 nan 0.000 0.438 501 T N 0.409 114.978 114.554 0.026 0.000 2.916 501 T HA 0.480 4.831 4.350 0.001 0.000 0.292 501 T C 1.083 175.804 174.700 0.035 0.000 1.055 501 T CA -0.596 61.519 62.100 0.024 0.000 1.009 501 T CB 1.177 70.046 68.868 0.002 0.000 1.118 501 T HN 0.484 nan 8.240 nan 0.000 0.497 502 S N 2.358 118.083 115.700 0.043 0.000 2.548 502 S HA 0.246 4.716 4.470 0.001 0.000 0.215 502 S C 0.511 175.142 174.600 0.051 0.000 0.976 502 S CA -0.369 57.856 58.200 0.042 0.000 0.908 502 S CB -0.185 63.053 63.200 0.063 0.000 0.781 502 S HN 0.443 nan 8.310 nan 0.000 0.519 503 L N 2.847 124.095 121.223 0.043 0.000 2.416 503 L HA 0.573 4.914 4.340 0.001 0.000 0.272 503 L C 0.354 177.303 176.870 0.132 0.000 1.161 503 L CA -0.440 54.435 54.840 0.058 0.000 0.845 503 L CB 0.254 42.266 42.059 -0.079 0.000 1.119 503 L HN 0.329 nan 8.230 nan 0.000 0.464 504 A N 2.785 125.712 122.820 0.178 0.000 2.331 504 A HA 0.666 4.986 4.320 0.001 0.000 0.320 504 A C -0.192 177.490 177.584 0.163 0.000 1.138 504 A CA -0.457 51.672 52.037 0.153 0.000 0.790 504 A CB 1.260 20.327 19.000 0.112 0.000 1.206 504 A HN 0.606 nan 8.150 nan 0.000 0.470 505 S N 0.796 116.539 115.700 0.071 0.000 2.578 505 S HA 0.553 5.024 4.470 0.001 0.000 0.283 505 S C 0.648 175.182 174.600 -0.110 0.000 1.195 505 S CA 0.176 58.292 58.200 -0.140 0.000 1.050 505 S CB 0.679 63.767 63.200 -0.186 0.000 1.012 505 S HN 1.460 nan 8.310 nan 0.000 0.511 506 S N 1.935 117.533 115.700 -0.169 0.000 2.902 506 S HA 0.528 4.999 4.470 0.001 0.000 0.250 506 S C 0.854 175.359 174.600 -0.159 0.000 1.046 506 S CA 0.008 58.126 58.200 -0.136 0.000 1.069 506 S CB 0.221 63.323 63.200 -0.164 0.000 0.967 506 S HN 1.671 nan 8.310 nan 0.000 0.530 507 G N 2.191 110.907 108.800 -0.141 0.000 2.211 507 G HA2 -0.256 3.704 3.960 0.001 0.000 0.201 507 G HA3 -0.256 3.704 3.960 0.001 0.000 0.201 507 G C 0.815 175.656 174.900 -0.098 0.000 0.997 507 G CA 0.078 45.126 45.100 -0.087 0.000 0.652 507 G HN 0.604 nan 8.290 nan 0.000 0.500 508 Q N 1.229 120.914 119.800 -0.191 0.000 2.373 508 Q HA 0.352 4.692 4.340 0.001 0.000 0.206 508 Q C 1.528 177.464 176.000 -0.107 0.000 0.942 508 Q CA 0.986 56.703 55.803 -0.143 0.000 0.953 508 Q CB -0.181 28.474 28.738 -0.139 0.000 1.022 508 Q HN 1.839 nan 8.270 nan 0.000 0.502 509 G N 1.101 109.835 108.800 -0.110 0.000 2.143 509 G HA2 -0.348 3.613 3.960 0.001 0.000 0.248 509 G HA3 -0.348 3.613 3.960 0.001 0.000 0.248 509 G C 0.405 175.349 174.900 0.073 0.000 0.991 509 G CA 0.549 45.641 45.100 -0.014 0.000 0.689 509 G HN 0.680 nan 8.290 nan 0.000 0.522 510 H N -0.382 118.690 119.070 0.004 0.000 2.353 510 H HA -0.103 4.453 4.556 0.001 0.000 0.298 510 H C 2.339 177.666 175.328 -0.001 0.000 1.103 510 H CA 1.433 57.482 56.048 0.001 0.000 1.293 510 H CB 0.117 29.881 29.762 0.002 0.000 1.372 510 H HN 0.605 nan 8.280 nan 0.000 0.501 511 E N 0.265 120.540 120.200 0.126 0.000 2.209 511 E HA -0.161 4.189 4.350 0.001 0.000 0.196 511 E C 1.438 178.066 176.600 0.046 0.000 0.993 511 E CA 1.593 58.032 56.400 0.065 0.000 0.819 511 E CB 0.219 29.939 29.700 0.034 0.000 0.745 511 E HN 0.387 nan 8.360 nan 0.000 0.477 512 T N -1.003 113.580 114.554 0.048 0.000 2.988 512 T HA -0.072 4.279 4.350 0.001 0.000 0.240 512 T C 1.956 176.673 174.700 0.029 0.000 1.014 512 T CA 1.231 63.350 62.100 0.031 0.000 1.155 512 T CB -0.284 68.600 68.868 0.026 0.000 0.872 512 T HN 0.373 nan 8.240 nan 0.000 0.440 513 T N 1.992 116.573 114.554 0.045 0.000 2.788 513 T HA 0.054 4.404 4.350 0.001 0.000 0.268 513 T C 2.016 176.721 174.700 0.008 0.000 1.044 513 T CA 0.823 62.941 62.100 0.030 0.000 1.139 513 T CB -0.752 68.147 68.868 0.050 0.000 0.867 513 T HN 0.216 nan 8.240 nan 0.000 0.454 514 L N 0.757 121.988 121.223 0.012 0.000 2.201 514 L HA 0.098 4.438 4.340 0.001 0.000 0.212 514 L C 3.282 180.141 176.870 -0.018 0.000 1.105 514 L CA 0.984 55.811 54.840 -0.022 0.000 0.775 514 L CB -0.741 41.301 42.059 -0.029 0.000 0.913 514 L HN 0.385 nan 8.230 nan 0.000 0.440 515 A N -0.349 122.469 122.820 -0.003 0.000 1.930 515 A HA -0.209 4.112 4.320 0.001 0.000 0.217 515 A C 2.226 179.800 177.584 -0.017 0.000 1.175 515 A CA 1.190 53.222 52.037 -0.007 0.000 0.627 515 A CB -0.337 18.665 19.000 0.002 0.000 0.815 515 A HN 0.434 nan 8.150 nan 0.000 0.443 516 Q N -0.483 119.307 119.800 -0.016 0.000 2.124 516 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 516 Q C 1.995 177.974 176.000 -0.035 0.000 0.977 516 Q CA 1.544 57.333 55.803 -0.023 0.000 0.850 516 Q CB -0.322 28.405 28.738 -0.018 0.000 0.901 516 Q HN 0.750 nan 8.270 nan 0.000 0.429 517 I N 0.386 120.932 120.570 -0.040 0.000 2.202 517 I HA -0.253 3.917 4.170 0.001 0.000 0.242 517 I C 2.430 178.513 176.117 -0.056 0.000 1.091 517 I CA 0.946 62.214 61.300 -0.054 0.000 1.368 517 I CB -0.413 37.547 38.000 -0.067 0.000 1.058 517 I HN 0.149 nan 8.210 nan 0.000 0.410 518 A N 0.785 123.576 122.820 -0.048 0.000 1.933 518 A HA -0.166 4.154 4.320 0.001 0.000 0.218 518 A C 2.540 180.091 177.584 -0.056 0.000 1.175 518 A CA 1.845 53.855 52.037 -0.046 0.000 0.628 518 A CB -0.830 18.152 19.000 -0.029 0.000 0.814 518 A HN 0.439 nan 8.150 nan 0.000 0.444 519 A N 0.102 122.889 122.820 -0.055 0.000 1.883 519 A HA -0.211 4.109 4.320 0.001 0.000 0.217 519 A C 1.788 179.320 177.584 -0.087 0.000 1.186 519 A CA 2.041 54.034 52.037 -0.073 0.000 0.624 519 A CB -0.646 18.321 19.000 -0.055 0.000 0.822 519 A HN 0.448 nan 8.150 nan 0.000 0.444 520 D N -0.516 119.843 120.400 -0.069 0.000 2.144 520 D HA -0.075 4.566 4.640 0.001 0.000 0.200 520 D C 2.038 178.295 176.300 -0.072 0.000 0.978 520 D CA 1.241 55.201 54.000 -0.066 0.000 0.833 520 D CB -0.351 40.416 40.800 -0.054 0.000 0.961 520 D HN 0.204 nan 8.370 nan 0.000 0.470 521 V N 0.614 120.486 119.914 -0.070 0.000 2.343 521 V HA -0.169 3.952 4.120 0.001 0.000 0.247 521 V C 2.293 178.343 176.094 -0.073 0.000 1.051 521 V CA 1.180 63.442 62.300 -0.064 0.000 1.036 521 V CB -0.295 31.494 31.823 -0.057 0.000 0.654 521 V HN 0.213 nan 8.190 nan 0.000 0.451 522 L N 0.144 121.305 121.223 -0.103 0.000 2.591 522 L HA 0.311 4.651 4.340 0.001 0.000 0.228 522 L C 1.570 178.269 176.870 -0.284 0.000 1.133 522 L CA 0.719 55.460 54.840 -0.165 0.000 0.880 522 L CB -0.397 41.556 42.059 -0.177 0.000 1.033 522 L HN 0.555 nan 8.230 nan 0.000 0.450 523 G N 1.307 109.988 108.800 -0.199 0.000 2.246 523 G HA2 -0.225 3.736 3.960 0.001 0.000 0.273 523 G HA3 -0.225 3.736 3.960 0.001 0.000 0.273 523 G C 0.039 174.788 174.900 -0.253 0.000 1.055 523 G CA 0.387 45.375 45.100 -0.186 0.000 0.851 523 G HN 0.292 nan 8.290 nan 0.000 0.500 524 V N -4.093 115.667 119.914 -0.257 0.000 3.074 524 V HA 0.952 5.072 4.120 0.001 0.000 0.314 524 V C -2.358 173.666 176.094 -0.117 0.000 1.117 524 V CA -3.063 59.100 62.300 -0.228 0.000 1.014 524 V CB 2.057 33.692 31.823 -0.313 0.000 1.057 524 V HN 0.031 nan 8.190 nan 0.000 0.438 525 P HA 0.296 nan 4.420 nan 0.000 0.268 525 P C 0.658 177.937 177.300 -0.035 0.000 1.205 525 P CA 0.435 63.511 63.100 -0.040 0.000 0.771 525 P CB 1.030 32.719 31.700 -0.020 0.000 0.858 526 A N 2.740 125.543 122.820 -0.027 0.000 2.019 526 A HA -0.168 4.152 4.320 0.001 0.000 0.219 526 A C 2.025 179.604 177.584 -0.008 0.000 1.164 526 A CA 2.021 54.046 52.037 -0.020 0.000 0.644 526 A CB -1.532 17.459 19.000 -0.016 0.000 0.805 526 A HN 0.603 nan 8.150 nan 0.000 0.449 527 S N -0.418 115.279 115.700 -0.004 0.000 2.507 527 S HA -0.101 4.370 4.470 0.001 0.000 0.235 527 S C 0.719 175.324 174.600 0.009 0.000 0.988 527 S CA 1.230 59.432 58.200 0.004 0.000 0.944 527 S CB -0.276 62.927 63.200 0.005 0.000 0.762 527 S HN 0.462 nan 8.310 nan 0.000 0.526 528 D N 0.934 121.339 120.400 0.008 0.000 2.328 528 D HA 0.293 4.933 4.640 0.001 0.000 0.221 528 D C -0.319 175.996 176.300 0.025 0.000 1.072 528 D CA 0.119 54.132 54.000 0.022 0.000 0.850 528 D CB 0.707 41.523 40.800 0.027 0.000 0.922 528 D HN 0.274 nan 8.370 nan 0.000 0.516 529 V N 0.578 120.500 119.914 0.013 0.000 2.628 529 V HA 0.470 4.590 4.120 0.001 0.000 0.306 529 V C -0.235 175.868 176.094 0.016 0.000 1.045 529 V CA -0.985 61.324 62.300 0.015 0.000 0.905 529 V CB 2.753 34.576 31.823 0.000 0.000 0.997 529 V HN -0.234 nan 8.190 nan 0.000 0.436 530 V N 5.444 125.370 119.914 0.021 0.000 2.656 530 V HA 0.591 4.711 4.120 0.001 0.000 0.307 530 V C -1.001 175.105 176.094 0.020 0.000 1.051 530 V CA -0.568 61.744 62.300 0.020 0.000 0.893 530 V CB 1.912 33.748 31.823 0.022 0.000 0.999 530 V HN 0.685 nan 8.190 nan 0.000 0.426 531 I N 5.752 126.334 120.570 0.020 0.000 2.321 531 I HA 0.460 4.630 4.170 0.001 0.000 0.291 531 I C 0.123 176.255 176.117 0.025 0.000 0.998 531 I CA -0.108 61.206 61.300 0.023 0.000 1.227 531 I CB 1.281 39.297 38.000 0.027 0.000 1.368 531 I HN 0.685 nan 8.210 nan 0.000 0.466 532 Q N 4.671 124.486 119.800 0.025 0.000 2.325 532 Q HA 0.784 5.124 4.340 0.001 0.000 0.262 532 Q C -0.613 175.404 176.000 0.028 0.000 0.968 532 Q CA -0.501 55.318 55.803 0.025 0.000 0.877 532 Q CB 2.615 31.367 28.738 0.024 0.000 1.253 532 Q HN 0.821 nan 8.270 nan 0.000 0.448 533 A N 0.737 123.575 122.820 0.030 0.000 2.583 533 A HA 0.833 5.153 4.320 0.001 0.000 0.289 533 A C 0.219 177.820 177.584 0.028 0.000 1.151 533 A CA -0.074 51.984 52.037 0.035 0.000 0.695 533 A CB 1.232 20.264 19.000 0.054 0.000 1.290 533 A HN 0.852 nan 8.150 nan 0.000 0.419 534 G N -1.091 107.726 108.800 0.028 0.000 2.137 534 G HA2 0.172 4.133 3.960 0.001 0.000 0.237 534 G HA3 0.172 4.133 3.960 0.001 0.000 0.237 534 G C 0.115 175.010 174.900 -0.008 0.000 1.002 534 G CA 1.021 46.133 45.100 0.019 0.000 0.702 534 G HN 2.111 nan 8.290 nan 0.000 0.515 535 S N -1.167 114.523 115.700 -0.016 0.000 2.566 535 S HA 0.637 5.108 4.470 0.001 0.000 0.273 535 S C 0.841 175.422 174.600 -0.032 0.000 1.157 535 S CA 0.930 59.105 58.200 -0.042 0.000 0.938 535 S CB 1.259 64.437 63.200 -0.035 0.000 1.087 535 S HN 1.255 nan 8.310 nan 0.000 0.474 536 T N 1.543 116.068 114.554 -0.049 0.000 3.144 536 T HA 0.263 4.614 4.350 0.001 0.000 0.249 536 T C 1.188 175.887 174.700 -0.000 0.000 1.089 536 T CA -0.043 62.040 62.100 -0.028 0.000 0.989 536 T CB -0.200 68.640 68.868 -0.046 0.000 0.992 536 T HN 0.601 nan 8.240 nan 0.000 0.540 537 K N 1.028 121.421 120.400 -0.012 0.000 2.209 537 K HA 0.024 4.345 4.320 0.001 0.000 0.204 537 K C -0.160 176.455 176.600 0.026 0.000 1.048 537 K CA 0.881 57.167 56.287 -0.000 0.000 0.940 537 K CB -0.027 32.466 32.500 -0.012 0.000 0.729 537 K HN 0.461 nan 8.250 nan 0.000 0.451 538 N N -0.941 117.780 118.700 0.035 0.000 2.331 538 N HA 0.130 4.870 4.740 0.001 0.000 0.280 538 N C -1.759 173.795 175.510 0.075 0.000 1.155 538 N CA -0.260 52.822 53.050 0.054 0.000 0.822 538 N CB 2.237 40.749 38.487 0.042 0.000 1.619 538 N HN 0.148 nan 8.380 nan 0.000 0.476 539 T N -1.803 112.816 114.554 0.108 0.000 0.541 539 T HA -0.220 4.131 4.350 0.001 0.000 0.774 539 T C -1.492 173.344 174.700 0.226 0.000 0.992 539 T CA -0.397 61.794 62.100 0.152 0.000 4.077 539 T CB -0.995 67.939 68.868 0.109 0.000 2.303 539 T HN 0.682 nan 8.240 nan 0.000 0.398 540 Y N 0.874 121.262 120.300 0.146 0.000 2.399 540 Y HA 0.628 5.178 4.550 0.001 0.000 0.327 540 Y C 0.012 176.080 175.900 0.280 0.000 1.111 540 Y CA 0.472 58.675 58.100 0.170 0.000 1.047 540 Y CB 1.694 40.225 38.460 0.119 0.000 1.259 540 Y HN 1.543 nan 8.280 nan 0.000 0.434 541 G N 2.880 111.680 108.800 -0.000 0.000 2.677 541 G HA2 0.334 4.295 3.960 0.001 0.000 0.291 541 G HA3 0.334 4.295 3.960 0.001 0.000 0.291 541 G C -1.054 174.001 174.900 0.260 0.000 1.435 541 G CA -0.707 44.559 45.100 0.276 0.000 0.826 541 G HN 0.410 nan 8.290 nan 0.000 0.491 542 F N 1.157 121.203 119.950 0.160 0.000 2.661 542 F HA 0.348 4.875 4.527 0.001 0.000 0.298 542 F C 1.940 177.926 175.800 0.311 0.000 1.137 542 F CA 0.934 59.087 58.000 0.255 0.000 1.454 542 F CB -0.252 39.000 39.000 0.421 0.000 1.103 542 F HN 1.115 nan 8.300 nan 0.000 0.577 543 G N -0.130 108.870 108.800 0.333 0.000 2.627 543 G HA2 0.132 4.092 3.960 0.001 0.000 0.214 543 G HA3 0.132 4.092 3.960 0.001 0.000 0.214 543 G C -0.672 174.339 174.900 0.185 0.000 1.331 543 G CA -0.717 44.535 45.100 0.254 0.000 0.891 543 G HN 0.588 nan 8.290 nan 0.000 0.539 544 A N 0.374 123.323 122.820 0.215 0.000 2.252 544 A HA 0.966 5.287 4.320 0.001 0.000 0.309 544 A C -0.350 177.374 177.584 0.232 0.000 1.285 544 A CA 0.727 52.854 52.037 0.150 0.000 0.900 544 A CB 0.185 19.352 19.000 0.278 0.000 1.157 544 A HN 2.318 nan 8.150 nan 0.000 0.536 545 Y N -1.720 118.653 120.300 0.123 0.000 2.774 545 Y HA 0.513 5.064 4.550 0.001 0.000 0.346 545 Y C 0.244 176.158 175.900 0.024 0.000 1.222 545 Y CA -0.913 57.219 58.100 0.053 0.000 1.088 545 Y CB 0.520 39.020 38.460 0.067 0.000 1.354 545 Y HN 2.084 nan 8.280 nan 0.000 0.455 546 A N 0.849 123.772 122.820 0.173 0.000 2.748 546 A HA -0.071 4.249 4.320 0.001 0.000 0.297 546 A C 0.828 178.448 177.584 0.060 0.000 1.508 546 A CA 1.404 53.513 52.037 0.121 0.000 0.799 546 A CB -2.502 16.628 19.000 0.217 0.000 1.011 546 A HN 2.151 nan 8.150 nan 0.000 0.500 547 S N -2.173 113.559 115.700 0.053 0.000 3.550 547 S HA -0.296 4.174 4.470 0.001 0.000 0.372 547 S C 1.100 175.708 174.600 0.014 0.000 0.966 547 S CA 1.604 59.836 58.200 0.054 0.000 1.229 547 S CB -1.150 62.101 63.200 0.085 0.000 0.917 547 S HN 1.618 nan 8.310 nan 0.000 0.496 548 R N -0.578 119.890 120.500 -0.053 0.000 2.419 548 R HA 0.278 4.619 4.340 0.001 0.000 0.235 548 R C 1.976 178.228 176.300 -0.080 0.000 0.899 548 R CA 0.518 56.565 56.100 -0.089 0.000 1.048 548 R CB -0.530 29.635 30.300 -0.226 0.000 1.182 548 R HN 0.306 nan 8.270 nan 0.000 0.544 549 G N 1.860 110.622 108.800 -0.063 0.000 2.514 549 G HA2 -0.341 3.620 3.960 0.001 0.000 0.217 549 G HA3 -0.341 3.620 3.960 0.001 0.000 0.217 549 G C 1.603 176.410 174.900 -0.156 0.000 1.198 549 G CA 1.356 46.373 45.100 -0.138 0.000 0.780 549 G HN 0.419 nan 8.290 nan 0.000 0.565 550 A N -0.223 122.557 122.820 -0.066 0.000 1.883 550 A HA 0.043 4.363 4.320 0.001 0.000 0.217 550 A C 2.656 180.198 177.584 -0.069 0.000 1.186 550 A CA 2.131 54.134 52.037 -0.057 0.000 0.624 550 A CB -0.736 18.262 19.000 -0.004 0.000 0.822 550 A HN 0.304 nan 8.150 nan 0.000 0.444 551 V N 0.485 120.377 119.914 -0.036 0.000 2.244 551 V HA -0.220 3.901 4.120 0.001 0.000 0.244 551 V C 2.456 178.535 176.094 -0.024 0.000 1.042 551 V CA 1.779 64.071 62.300 -0.013 0.000 1.006 551 V CB -0.625 31.229 31.823 0.051 0.000 0.641 551 V HN 0.513 nan 8.190 nan 0.000 0.446 552 I N 1.064 121.649 120.570 0.025 0.000 2.286 552 I HA -0.167 4.004 4.170 0.001 0.000 0.248 552 I C 2.592 178.669 176.117 -0.066 0.000 1.115 552 I CA 2.024 63.373 61.300 0.080 0.000 1.392 552 I CB -1.940 36.083 38.000 0.039 0.000 1.065 552 I HN 0.405 nan 8.210 nan 0.000 0.418 553 G N 0.643 109.369 108.800 -0.123 0.000 2.421 553 G HA2 -0.177 3.783 3.960 0.001 0.000 0.216 553 G HA3 -0.177 3.783 3.960 0.001 0.000 0.216 553 G C 1.896 176.686 174.900 -0.184 0.000 1.171 553 G CA 1.017 46.027 45.100 -0.150 0.000 0.775 553 G HN 0.478 nan 8.290 nan 0.000 0.543 554 A N 0.934 123.631 122.820 -0.205 0.000 1.883 554 A HA 0.100 4.420 4.320 0.001 0.000 0.217 554 A C 2.721 180.071 177.584 -0.389 0.000 1.186 554 A CA 2.310 54.207 52.037 -0.234 0.000 0.624 554 A CB -1.212 17.672 19.000 -0.193 0.000 0.822 554 A HN 0.563 nan 8.150 nan 0.000 0.444 555 G N -0.254 108.104 108.800 -0.736 0.000 2.421 555 G HA2 -0.195 3.765 3.960 0.001 0.000 0.216 555 G HA3 -0.195 3.765 3.960 0.001 0.000 0.216 555 G C 2.030 176.512 174.900 -0.698 0.000 1.171 555 G CA 2.001 46.220 45.100 -1.468 0.000 0.775 555 G HN 0.853 nan 8.290 nan 0.000 0.543 556 S N 0.673 116.172 115.700 -0.335 0.000 2.355 556 S HA 0.011 4.481 4.470 0.001 0.000 0.222 556 S C 2.363 176.915 174.600 -0.080 0.000 1.031 556 S CA 1.047 59.206 58.200 -0.069 0.000 0.993 556 S CB -0.432 62.775 63.200 0.012 0.000 0.859 556 S HN 0.303 nan 8.310 nan 0.000 0.453 557 I N 2.490 122.997 120.570 -0.105 0.000 2.286 557 I HA -0.068 4.102 4.170 0.001 0.000 0.248 557 I C 2.880 178.948 176.117 -0.082 0.000 1.115 557 I CA 1.068 62.323 61.300 -0.075 0.000 1.392 557 I CB -1.057 36.898 38.000 -0.077 0.000 1.065 557 I HN 0.493 nan 8.210 nan 0.000 0.418 558 G N 0.808 109.529 108.800 -0.131 0.000 2.459 558 G HA2 -0.240 3.720 3.960 0.001 0.000 0.217 558 G HA3 -0.240 3.720 3.960 0.001 0.000 0.217 558 G C 1.808 176.666 174.900 -0.071 0.000 1.183 558 G CA 0.506 45.537 45.100 -0.115 0.000 0.776 558 G HN 0.259 nan 8.290 nan 0.000 0.552 559 R N 0.467 120.929 120.500 -0.064 0.000 2.083 559 R HA -0.055 4.285 4.340 0.001 0.000 0.237 559 R C 3.064 179.358 176.300 -0.010 0.000 1.137 559 R CA 1.324 57.415 56.100 -0.015 0.000 0.951 559 R CB -0.533 29.780 30.300 0.022 0.000 0.851 559 R HN 0.366 nan 8.270 nan 0.000 0.434 560 A N 1.184 123.997 122.820 -0.011 0.000 1.902 560 A HA -0.109 4.212 4.320 0.001 0.000 0.217 560 A C 2.375 179.958 177.584 -0.002 0.000 1.181 560 A CA 1.734 53.770 52.037 -0.003 0.000 0.623 560 A CB -0.612 18.390 19.000 0.003 0.000 0.818 560 A HN 0.418 nan 8.150 nan 0.000 0.443 561 A N -0.878 121.937 122.820 -0.008 0.000 1.972 561 A HA -0.078 4.242 4.320 0.001 0.000 0.219 561 A C 2.453 180.040 177.584 0.005 0.000 1.169 561 A CA 2.082 54.120 52.037 0.001 0.000 0.635 561 A CB -0.866 18.126 19.000 -0.013 0.000 0.810 561 A HN 0.576 nan 8.150 nan 0.000 0.446 562 S N -0.297 115.399 115.700 -0.006 0.000 2.368 562 S HA -0.128 4.342 4.470 0.001 0.000 0.225 562 S C 1.902 176.504 174.600 0.004 0.000 1.030 562 S CA 1.388 59.587 58.200 -0.002 0.000 0.999 562 S CB -0.549 62.647 63.200 -0.008 0.000 0.844 562 S HN 0.501 nan 8.310 nan 0.000 0.459 563 I N 1.840 122.408 120.570 -0.002 0.000 2.163 563 I HA -0.178 3.993 4.170 0.001 0.000 0.243 563 I C 2.434 178.544 176.117 -0.010 0.000 1.085 563 I CA 1.673 62.967 61.300 -0.010 0.000 1.347 563 I CB -0.571 37.418 38.000 -0.018 0.000 1.044 563 I HN 0.367 nan 8.210 nan 0.000 0.408 564 V N -0.990 118.924 119.914 0.000 0.000 2.591 564 V HA -0.153 3.968 4.120 0.001 0.000 0.249 564 V C 2.551 178.674 176.094 0.049 0.000 1.053 564 V CA 1.410 63.715 62.300 0.008 0.000 1.068 564 V CB -0.961 30.875 31.823 0.023 0.000 0.689 564 V HN 0.361 nan 8.190 nan 0.000 0.462 565 R N 0.262 120.798 120.500 0.060 0.000 2.081 565 R HA -0.159 4.182 4.340 0.001 0.000 0.235 565 R C 2.416 178.757 176.300 0.068 0.000 1.131 565 R CA 1.923 58.073 56.100 0.084 0.000 0.960 565 R CB -0.283 30.047 30.300 0.050 0.000 0.856 565 R HN 0.546 nan 8.270 nan 0.000 0.436 566 E N 0.567 120.792 120.200 0.041 0.000 2.118 566 E HA -0.199 4.151 4.350 0.001 0.000 0.195 566 E C 2.092 178.732 176.600 0.067 0.000 0.992 566 E CA 1.256 57.680 56.400 0.039 0.000 0.804 566 E CB -0.120 29.593 29.700 0.021 0.000 0.741 566 E HN 0.423 nan 8.360 nan 0.000 0.458 567 R N 0.161 120.701 120.500 0.068 0.000 2.115 567 R HA -0.042 4.298 4.340 0.001 0.000 0.230 567 R C 2.452 178.876 176.300 0.206 0.000 1.111 567 R CA 0.749 56.940 56.100 0.152 0.000 0.976 567 R CB -0.159 30.134 30.300 -0.011 0.000 0.870 567 R HN 0.001 nan 8.270 nan 0.000 0.445 568 V N 1.247 121.230 119.914 0.114 0.000 2.453 568 V HA -0.216 3.904 4.120 0.001 0.000 0.247 568 V C 1.937 178.068 176.094 0.061 0.000 1.048 568 V CA 1.662 64.012 62.300 0.084 0.000 1.049 568 V CB -0.277 31.622 31.823 0.126 0.000 0.672 568 V HN 0.265 nan 8.190 nan 0.000 0.457 569 K N -0.268 120.172 120.400 0.067 0.000 2.097 569 K HA -0.191 4.130 4.320 0.001 0.000 0.205 569 K C 2.262 178.873 176.600 0.019 0.000 1.050 569 K CA 1.424 57.734 56.287 0.038 0.000 0.938 569 K CB -0.193 32.325 32.500 0.030 0.000 0.718 569 K HN 0.536 nan 8.250 nan 0.000 0.442 570 Q N 0.432 120.252 119.800 0.032 0.000 2.084 570 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 570 Q C 2.138 178.070 176.000 -0.113 0.000 0.978 570 Q CA 1.112 56.915 55.803 0.001 0.000 0.844 570 Q CB -0.137 28.652 28.738 0.085 0.000 0.898 570 Q HN 0.173 nan 8.270 nan 0.000 0.426 571 L N 0.576 121.671 121.223 -0.213 0.000 2.056 571 L HA -0.044 4.296 4.340 0.001 0.000 0.207 571 L C 2.138 178.947 176.870 -0.102 0.000 1.078 571 L CA 1.941 56.576 54.840 -0.341 0.000 0.749 571 L CB -0.769 41.034 42.059 -0.428 0.000 0.901 571 L HN 0.112 nan 8.230 nan 0.000 0.433 572 A N -0.518 122.274 122.820 -0.048 0.000 1.902 572 A HA -0.045 4.276 4.320 0.001 0.000 0.217 572 A C 2.327 179.912 177.584 0.002 0.000 1.181 572 A CA 1.450 53.483 52.037 -0.006 0.000 0.623 572 A CB -1.561 17.450 19.000 0.019 0.000 0.818 572 A HN 0.514 nan 8.150 nan 0.000 0.443 573 G N -1.417 107.385 108.800 0.005 0.000 2.432 573 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 573 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 573 G C 1.484 176.398 174.900 0.023 0.000 1.135 573 G CA 1.428 46.535 45.100 0.011 0.000 0.767 573 G HN 0.739 nan 8.290 nan 0.000 0.550 574 H N 0.459 119.482 119.070 -0.078 0.000 2.357 574 H HA 0.114 4.670 4.556 -0.000 0.000 0.301 574 H C 2.449 177.742 175.328 -0.058 0.000 1.082 574 H CA 1.344 57.344 56.048 -0.080 0.000 1.342 574 H CB -0.208 29.474 29.762 -0.133 0.000 1.389 574 H HN 0.278 nan 8.280 nan 0.000 0.511 575 L N -0.382 120.790 121.223 -0.084 0.000 2.156 575 L HA -0.055 4.285 4.340 0.001 0.000 0.208 575 L C 1.801 178.616 176.870 -0.092 0.000 1.095 575 L CA 0.703 55.473 54.840 -0.117 0.000 0.770 575 L CB -0.089 41.949 42.059 -0.035 0.000 0.914 575 L HN 0.279 nan 8.230 nan 0.000 0.439 576 L N -0.877 120.314 121.223 -0.053 0.000 2.592 576 L HA 0.098 4.438 4.340 0.001 0.000 0.227 576 L C 0.134 176.981 176.870 -0.038 0.000 1.127 576 L CA 0.009 54.830 54.840 -0.031 0.000 0.884 576 L CB -0.161 41.897 42.059 -0.001 0.000 1.065 576 L HN 0.211 nan 8.230 nan 0.000 0.457 577 E N 0.137 120.300 120.200 -0.062 0.000 2.287 577 E HA -0.177 4.173 4.350 0.001 0.000 0.229 577 E C -0.133 176.454 176.600 -0.022 0.000 1.194 577 E CA 0.286 56.655 56.400 -0.052 0.000 0.704 577 E CB -1.045 28.624 29.700 -0.052 0.000 1.216 577 E HN 0.508 nan 8.360 nan 0.000 0.381 578 A N -0.009 122.804 122.820 -0.011 0.000 2.572 578 A HA 0.822 5.142 4.320 0.001 0.000 0.295 578 A C -0.345 177.241 177.584 0.003 0.000 1.072 578 A CA -0.064 51.971 52.037 -0.003 0.000 0.691 578 A CB 1.550 20.548 19.000 -0.003 0.000 1.291 578 A HN 0.512 nan 8.150 nan 0.000 0.404 579 A N 0.785 123.607 122.820 0.003 0.000 2.498 579 A HA 0.467 4.787 4.320 0.001 0.000 0.239 579 A C 1.555 179.141 177.584 0.002 0.000 1.068 579 A CA 0.467 52.508 52.037 0.006 0.000 0.766 579 A CB -0.187 18.815 19.000 0.003 0.000 1.003 579 A HN 2.117 nan 8.150 nan 0.000 0.497 580 S N 1.278 116.982 115.700 0.007 0.000 2.370 580 S HA -0.266 4.204 4.470 0.001 0.000 0.226 580 S C 1.463 176.062 174.600 -0.002 0.000 1.033 580 S CA 1.561 59.765 58.200 0.006 0.000 1.011 580 S CB -0.722 62.488 63.200 0.016 0.000 0.852 580 S HN 0.899 nan 8.310 nan 0.000 0.457 581 E N 1.301 121.500 120.200 -0.002 0.000 2.331 581 E HA -0.194 4.156 4.350 0.001 0.000 0.199 581 E C 0.557 177.147 176.600 -0.017 0.000 1.008 581 E CA 1.373 57.768 56.400 -0.007 0.000 0.843 581 E CB -0.439 29.258 29.700 -0.004 0.000 0.761 581 E HN 0.504 nan 8.360 nan 0.000 0.507 582 D N 0.444 120.833 120.400 -0.019 0.000 2.340 582 D HA 0.137 4.778 4.640 0.001 0.000 0.217 582 D C 0.123 176.390 176.300 -0.054 0.000 1.081 582 D CA 0.034 54.016 54.000 -0.030 0.000 0.842 582 D CB 0.401 41.190 40.800 -0.019 0.000 0.934 582 D HN 0.178 nan 8.370 nan 0.000 0.511 583 I N 1.900 122.439 120.570 -0.053 0.000 2.385 583 I HA 0.215 4.385 4.170 0.001 0.000 0.294 583 I C 0.566 176.616 176.117 -0.111 0.000 0.988 583 I CA -0.942 60.310 61.300 -0.081 0.000 1.265 583 I CB 1.404 39.383 38.000 -0.035 0.000 1.388 583 I HN -0.266 nan 8.210 nan 0.000 0.480 584 V N 4.638 124.424 119.914 -0.213 0.000 3.074 584 V HA 0.681 4.801 4.120 0.001 0.000 0.314 584 V C -0.578 175.422 176.094 -0.157 0.000 1.117 584 V CA -0.823 61.361 62.300 -0.194 0.000 1.014 584 V CB 2.744 34.419 31.823 -0.247 0.000 1.057 584 V HN 0.485 nan 8.190 nan 0.000 0.438 585 I N 1.590 122.124 120.570 -0.060 0.000 2.439 585 I HA 0.655 4.825 4.170 0.001 0.000 0.285 585 I C -0.615 175.501 176.117 -0.001 0.000 1.021 585 I CA -0.201 61.102 61.300 0.005 0.000 1.091 585 I CB 1.766 39.761 38.000 -0.009 0.000 1.242 585 I HN 0.796 nan 8.210 nan 0.000 0.439 586 E N 5.071 125.315 120.200 0.074 0.000 2.321 586 E HA 0.235 4.586 4.350 0.001 0.000 0.278 586 E C -1.297 175.327 176.600 0.040 0.000 0.902 586 E CA -0.791 55.643 56.400 0.056 0.000 0.758 586 E CB 1.846 31.621 29.700 0.124 0.000 1.213 586 E HN 0.514 nan 8.360 nan 0.000 0.426 587 D N 1.658 122.053 120.400 -0.008 0.000 2.751 587 D HA -0.209 4.431 4.640 0.001 0.000 0.233 587 D C 0.837 177.135 176.300 -0.004 0.000 1.149 587 D CA 1.778 55.771 54.000 -0.012 0.000 0.682 587 D CB -1.342 39.456 40.800 -0.004 0.000 1.068 587 D HN 1.011 nan 8.370 nan 0.000 0.429 588 G N -0.884 107.898 108.800 -0.031 0.000 2.155 588 G HA2 -0.321 3.639 3.960 0.001 0.000 0.257 588 G HA3 -0.321 3.639 3.960 0.001 0.000 0.257 588 G C 0.175 175.143 174.900 0.113 0.000 0.983 588 G CA 0.433 45.540 45.100 0.012 0.000 0.676 588 G HN 0.553 nan 8.290 nan 0.000 0.528 589 L N 1.222 122.511 121.223 0.110 0.000 2.305 589 L HA 0.662 5.003 4.340 0.001 0.000 0.284 589 L C -0.085 176.943 176.870 0.264 0.000 1.013 589 L CA -0.860 54.075 54.840 0.158 0.000 0.819 589 L CB 1.737 43.841 42.059 0.074 0.000 1.227 589 L HN -0.087 nan 8.230 nan 0.000 0.417 590 V N 5.698 125.761 119.914 0.249 0.000 2.364 590 V HA 0.436 4.557 4.120 0.001 0.000 0.272 590 V C -0.031 176.197 176.094 0.223 0.000 1.036 590 V CA -0.415 62.013 62.300 0.214 0.000 0.880 590 V CB 0.700 32.636 31.823 0.189 0.000 0.991 590 V HN 0.821 nan 8.190 nan 0.000 0.460 591 H N 2.540 121.636 119.070 0.043 0.000 2.960 591 H HA 0.547 5.104 4.556 0.001 0.000 0.323 591 H C -1.197 174.143 175.328 0.020 0.000 1.326 591 H CA -1.050 55.014 56.048 0.027 0.000 1.124 591 H CB 1.528 31.302 29.762 0.021 0.000 1.853 591 H HN 0.200 nan 8.280 nan 0.000 0.536 592 V N 1.406 121.340 119.914 0.033 0.000 2.479 592 V HA 0.251 4.371 4.120 0.001 0.000 0.281 592 V C 1.229 177.291 176.094 -0.053 0.000 1.031 592 V CA 0.175 62.459 62.300 -0.027 0.000 1.038 592 V CB 0.154 31.997 31.823 0.033 0.000 0.981 592 V HN 0.900 nan 8.190 nan 0.000 0.478 593 A N 4.773 127.508 122.820 -0.141 0.000 2.580 593 A HA 0.436 4.757 4.320 0.001 0.000 0.244 593 A C 1.621 179.223 177.584 0.029 0.000 1.045 593 A CA 0.721 52.698 52.037 -0.099 0.000 0.761 593 A CB -0.672 18.281 19.000 -0.079 0.000 0.962 593 A HN 2.163 nan 8.150 nan 0.000 0.512 594 G N 0.816 109.679 108.800 0.105 0.000 2.225 594 G HA2 -0.161 3.799 3.960 0.001 0.000 0.254 594 G HA3 -0.161 3.799 3.960 0.001 0.000 0.254 594 G C 0.200 175.162 174.900 0.103 0.000 0.988 594 G CA 0.254 45.408 45.100 0.090 0.000 0.625 594 G HN 1.748 nan 8.290 nan 0.000 0.527 595 V N 2.153 122.169 119.914 0.170 0.000 2.383 595 V HA 0.304 4.425 4.120 0.001 0.000 0.261 595 V C -0.561 175.625 176.094 0.154 0.000 0.987 595 V CA -0.429 61.946 62.300 0.124 0.000 0.853 595 V CB 1.428 33.303 31.823 0.086 0.000 1.095 595 V HN 0.150 nan 8.190 nan 0.000 0.461 596 P HA -0.200 nan 4.420 nan 0.000 0.217 596 P C 1.523 178.737 177.300 -0.144 0.000 1.148 596 P CA 1.796 64.687 63.100 -0.348 0.000 0.828 596 P CB 0.487 31.976 31.700 -0.353 0.000 0.783 597 A N -0.106 122.683 122.820 -0.052 0.000 2.015 597 A HA -0.125 4.196 4.320 0.001 0.000 0.219 597 A C 1.777 179.367 177.584 0.009 0.000 1.163 597 A CA 1.139 53.163 52.037 -0.022 0.000 0.646 597 A CB -0.893 18.099 19.000 -0.012 0.000 0.806 597 A HN 0.069 nan 8.150 nan 0.000 0.448 598 K N 0.746 121.169 120.400 0.039 0.000 2.333 598 K HA 0.460 4.781 4.320 0.001 0.000 0.241 598 K C 0.086 176.745 176.600 0.098 0.000 1.193 598 K CA 0.509 56.829 56.287 0.055 0.000 1.142 598 K CB -0.549 31.984 32.500 0.054 0.000 1.731 598 K HN 0.357 nan 8.250 nan 0.000 0.344 599 G N 0.917 109.765 108.800 0.081 0.000 2.682 599 G HA2 0.676 4.636 3.960 0.001 0.000 0.303 599 G HA3 0.676 4.636 3.960 0.001 0.000 0.303 599 G C -1.484 173.461 174.900 0.074 0.000 1.341 599 G CA -0.865 44.304 45.100 0.115 0.000 0.784 599 G HN 0.321 nan 8.290 nan 0.000 0.497 600 M N 0.912 120.566 119.600 0.090 0.000 2.520 600 M HA 0.384 4.864 4.480 0.001 0.000 0.280 600 M C -2.778 173.580 176.300 0.097 0.000 1.232 600 M CA -1.593 53.750 55.300 0.071 0.000 0.892 600 M CB 3.276 35.909 32.600 0.055 0.000 1.728 600 M HN 0.307 nan 8.290 nan 0.000 0.475 601 P HA 0.011 nan 4.420 nan 0.000 0.269 601 P C 0.257 177.656 177.300 0.164 0.000 1.209 601 P CA -0.046 63.128 63.100 0.122 0.000 0.776 601 P CB 0.650 32.405 31.700 0.092 0.000 0.876 602 F N 3.589 123.568 119.950 0.048 0.000 2.091 602 F HA -0.268 4.259 4.527 0.001 0.000 0.299 602 F C 2.321 178.153 175.800 0.054 0.000 1.103 602 F CA 2.450 60.479 58.000 0.050 0.000 1.228 602 F CB -1.068 37.959 39.000 0.045 0.000 0.984 602 F HN 0.409 nan 8.300 nan 0.000 0.477 603 A N -0.466 122.397 122.820 0.072 0.000 1.978 603 A HA -0.258 4.063 4.320 0.001 0.000 0.220 603 A C 2.240 179.796 177.584 -0.047 0.000 1.170 603 A CA 1.853 53.873 52.037 -0.029 0.000 0.636 603 A CB -0.979 18.061 19.000 0.067 0.000 0.810 603 A HN 0.623 nan 8.150 nan 0.000 0.448 604 E N -0.280 119.918 120.200 -0.004 0.000 2.072 604 E HA -0.099 4.251 4.350 0.001 0.000 0.190 604 E C 1.826 178.419 176.600 -0.013 0.000 0.982 604 E CA 1.249 57.655 56.400 0.011 0.000 0.803 604 E CB -0.062 29.657 29.700 0.031 0.000 0.755 604 E HN 0.346 nan 8.360 nan 0.000 0.453 605 V N 0.566 120.448 119.914 -0.054 0.000 2.307 605 V HA -0.220 3.900 4.120 0.001 0.000 0.245 605 V C 2.431 178.462 176.094 -0.106 0.000 1.045 605 V CA 1.343 63.602 62.300 -0.067 0.000 1.024 605 V CB -0.322 31.459 31.823 -0.069 0.000 0.651 605 V HN 0.193 nan 8.190 nan 0.000 0.449 606 V N 1.157 120.930 119.914 -0.235 0.000 2.332 606 V HA -0.208 3.912 4.120 0.001 0.000 0.248 606 V C 2.681 178.774 176.094 -0.003 0.000 1.055 606 V CA 2.239 64.427 62.300 -0.187 0.000 1.038 606 V CB -1.513 30.081 31.823 -0.382 0.000 0.651 606 V HN 0.616 nan 8.190 nan 0.000 0.450 607 G N -0.323 108.476 108.800 -0.001 0.000 2.469 607 G HA2 -0.260 3.700 3.960 0.001 0.000 0.219 607 G HA3 -0.260 3.700 3.960 0.001 0.000 0.219 607 G C 1.747 176.724 174.900 0.128 0.000 1.150 607 G CA 1.158 46.316 45.100 0.097 0.000 0.763 607 G HN 0.631 nan 8.290 nan 0.000 0.561 608 A N 0.985 123.865 122.820 0.099 0.000 1.930 608 A HA 0.350 4.671 4.320 0.001 0.000 0.217 608 A C 2.805 180.519 177.584 0.217 0.000 1.175 608 A CA 2.039 54.160 52.037 0.140 0.000 0.627 608 A CB -0.683 18.376 19.000 0.099 0.000 0.815 608 A HN 0.789 nan 8.150 nan 0.000 0.443 609 A N -1.380 121.501 122.820 0.102 0.000 1.902 609 A HA -0.093 4.227 4.320 0.001 0.000 0.217 609 A C 2.098 179.675 177.584 -0.012 0.000 1.181 609 A CA 1.632 53.690 52.037 0.035 0.000 0.623 609 A CB -0.711 18.239 19.000 -0.085 0.000 0.818 609 A HN 0.593 nan 8.150 nan 0.000 0.443 610 Y N -1.938 118.222 120.300 -0.233 0.000 2.206 610 Y HA 0.029 4.579 4.550 0.001 0.000 0.292 610 Y C 1.412 176.995 175.900 -0.529 0.000 1.123 610 Y CA 1.654 59.393 58.100 -0.601 0.000 1.142 610 Y CB -0.058 37.580 38.460 -1.369 0.000 1.006 610 Y HN 0.324 nan 8.280 nan 0.000 0.518 611 F N -1.837 118.265 119.950 0.253 0.000 2.683 611 F HA 0.508 5.035 4.527 0.000 0.000 0.306 611 F C 0.516 176.356 175.800 0.066 0.000 1.102 611 F CA -0.254 57.828 58.000 0.136 0.000 1.244 611 F CB 0.594 39.656 39.000 0.103 0.000 1.029 611 F HN -0.147 nan 8.300 nan 0.000 0.545 612 A N 0.822 123.743 122.820 0.168 0.000 3.258 612 A HA 0.166 4.487 4.320 0.001 0.000 0.318 612 A C 1.035 178.493 177.584 -0.211 0.000 0.990 612 A CA -0.389 51.674 52.037 0.044 0.000 0.885 612 A CB -0.240 18.813 19.000 0.088 0.000 1.090 612 A HN 0.251 nan 8.150 nan 0.000 0.479 613 D N 2.005 122.215 120.400 -0.317 0.000 2.191 613 D HA -0.265 4.375 4.640 0.001 0.000 0.195 613 D C 1.709 177.746 176.300 -0.437 0.000 1.003 613 D CA 1.990 55.649 54.000 -0.569 0.000 0.867 613 D CB 0.189 40.860 40.800 -0.214 0.000 0.926 613 D HN 0.557 nan 8.370 nan 0.000 0.450 614 A N -0.169 122.536 122.820 -0.192 0.000 2.067 614 A HA -0.112 4.208 4.320 0.001 0.000 0.219 614 A C 2.230 179.799 177.584 -0.025 0.000 1.158 614 A CA 2.135 54.123 52.037 -0.081 0.000 0.661 614 A CB -0.706 18.275 19.000 -0.032 0.000 0.801 614 A HN 0.482 nan 8.150 nan 0.000 0.452 615 T N -3.266 111.276 114.554 -0.020 0.000 3.100 615 T HA 0.076 4.426 4.350 0.001 0.000 0.253 615 T C 0.427 175.233 174.700 0.178 0.000 1.118 615 T CA -0.082 62.085 62.100 0.112 0.000 1.058 615 T CB -0.468 68.468 68.868 0.113 0.000 0.953 615 T HN 0.420 nan 8.240 nan 0.000 0.515 616 H N 3.589 122.587 119.070 -0.120 0.000 2.764 616 H HA 0.392 4.949 4.556 0.001 0.000 0.341 616 H C -2.141 172.898 175.328 -0.481 0.000 1.072 616 H CA -2.529 53.318 56.048 -0.335 0.000 1.444 616 H CB 0.322 30.047 29.762 -0.062 0.000 1.458 616 H HN 0.307 nan 8.280 nan 0.000 0.572 617 P HA 0.128 nan 4.420 nan 0.000 0.276 617 P C -2.535 174.615 177.300 -0.250 0.000 1.252 617 P CA -1.557 61.042 63.100 -0.834 0.000 0.802 617 P CB 0.298 31.524 31.700 -0.790 0.000 1.035 618 P HA -0.010 nan 4.420 nan 0.000 0.268 618 P C 0.906 178.217 177.300 0.018 0.000 1.205 618 P CA 0.898 63.981 63.100 -0.027 0.000 0.771 618 P CB -0.109 31.581 31.700 -0.015 0.000 0.858 619 G N 2.060 110.887 108.800 0.044 0.000 2.189 619 G HA2 -0.308 3.653 3.960 0.001 0.000 0.267 619 G HA3 -0.308 3.653 3.960 0.001 0.000 0.267 619 G C 0.027 174.975 174.900 0.080 0.000 0.975 619 G CA -0.058 45.069 45.100 0.044 0.000 0.644 619 G HN 0.590 nan 8.290 nan 0.000 0.537 620 F N 1.401 121.305 119.950 -0.077 0.000 2.563 620 F HA 0.426 4.953 4.527 0.000 0.000 0.363 620 F C 0.426 176.167 175.800 -0.100 0.000 1.123 620 F CA 0.057 57.992 58.000 -0.108 0.000 1.307 620 F CB 0.705 39.614 39.000 -0.151 0.000 1.115 620 F HN 0.063 nan 8.300 nan 0.000 0.592 621 D N 4.969 124.883 120.400 -0.810 0.000 2.460 621 D HA 0.284 4.925 4.640 0.001 0.000 0.232 621 D C 0.374 175.924 176.300 -1.249 0.000 1.079 621 D CA -0.219 53.354 54.000 -0.711 0.000 0.864 621 D CB 1.466 42.019 40.800 -0.411 0.000 1.048 621 D HN 0.653 nan 8.370 nan 0.000 0.523 622 A N 3.010 125.218 122.820 -1.019 0.000 2.248 622 A HA 0.023 4.344 4.320 0.001 0.000 0.210 622 A C 1.009 178.253 177.584 -0.566 0.000 1.174 622 A CA 0.279 51.809 52.037 -0.846 0.000 0.750 622 A CB -0.464 18.339 19.000 -0.328 0.000 0.780 622 A HN 0.483 nan 8.150 nan 0.000 0.478 623 T N 1.085 115.363 114.554 -0.460 0.000 2.793 623 T HA 0.244 4.595 4.350 0.001 0.000 0.289 623 T C 0.492 175.012 174.700 -0.300 0.000 0.956 623 T CA 0.328 62.233 62.100 -0.324 0.000 1.177 623 T CB 0.238 68.972 68.868 -0.223 0.000 0.897 623 T HN 0.266 nan 8.240 nan 0.000 0.533 624 L N 3.216 124.262 121.223 -0.294 0.000 2.984 624 L HA 0.373 4.713 4.340 0.001 0.000 0.246 624 L C 0.708 177.551 176.870 -0.045 0.000 1.268 624 L CA 0.050 54.786 54.840 -0.174 0.000 1.054 624 L CB 0.065 42.002 42.059 -0.203 0.000 1.393 624 L HN 0.662 nan 8.230 nan 0.000 0.532 625 E N 0.901 121.070 120.200 -0.050 0.000 2.278 625 E HA 0.710 5.061 4.350 0.001 0.000 0.272 625 E C -1.442 175.145 176.600 -0.021 0.000 0.890 625 E CA -0.437 55.960 56.400 -0.005 0.000 0.770 625 E CB 2.366 32.075 29.700 0.015 0.000 1.212 625 E HN 0.163 nan 8.360 nan 0.000 0.415 626 A N 2.729 125.545 122.820 -0.006 0.000 2.587 626 A HA 0.797 5.117 4.320 0.001 0.000 0.293 626 A C -1.028 176.561 177.584 0.008 0.000 1.087 626 A CA -0.621 51.410 52.037 -0.009 0.000 0.692 626 A CB 2.285 21.274 19.000 -0.020 0.000 1.291 626 A HN 0.468 nan 8.150 nan 0.000 0.407 627 T N 0.448 115.009 114.554 0.012 0.000 2.876 627 T HA 0.815 5.166 4.350 0.001 0.000 0.289 627 T C -0.558 174.157 174.700 0.026 0.000 1.014 627 T CA 0.196 62.312 62.100 0.028 0.000 0.986 627 T CB 1.712 70.607 68.868 0.044 0.000 1.021 627 T HN 1.879 nan 8.240 nan 0.000 0.458 628 A N 1.512 124.349 122.820 0.030 0.000 2.566 628 A HA 0.750 5.070 4.320 0.001 0.000 0.297 628 A C -0.284 177.308 177.584 0.015 0.000 1.059 628 A CA -0.743 51.306 52.037 0.020 0.000 0.691 628 A CB 1.772 20.782 19.000 0.016 0.000 1.282 628 A HN 0.703 nan 8.150 nan 0.000 0.401 629 T N 0.397 114.930 114.554 -0.035 0.000 2.918 629 T HA 0.645 4.995 4.350 0.001 0.000 0.283 629 T C -1.025 173.676 174.700 0.003 0.000 1.001 629 T CA -0.107 61.928 62.100 -0.108 0.000 1.041 629 T CB 0.560 69.157 68.868 -0.451 0.000 1.028 629 T HN 1.096 nan 8.240 nan 0.000 0.511 630 Y N 2.140 122.367 120.300 -0.123 0.000 2.492 630 Y HA 0.588 5.138 4.550 0.001 0.000 0.346 630 Y C -1.569 174.293 175.900 -0.063 0.000 0.997 630 Y CA -0.983 57.074 58.100 -0.071 0.000 1.025 630 Y CB 2.083 40.516 38.460 -0.046 0.000 1.263 630 Y HN 0.637 nan 8.280 nan 0.000 0.454 631 D N 7.330 127.241 120.400 -0.815 0.000 2.764 631 D HA 0.326 4.966 4.640 0.001 0.000 0.227 631 D C -3.054 172.812 176.300 -0.723 0.000 1.347 631 D CA -1.754 51.880 54.000 -0.609 0.000 0.953 631 D CB 2.548 43.201 40.800 -0.245 0.000 1.476 631 D HN 0.220 nan 8.370 nan 0.000 0.585 632 P HA 0.025 nan 4.420 nan 0.000 0.266 632 P C 0.715 177.800 177.300 -0.358 0.000 1.193 632 P CA -0.057 62.792 63.100 -0.419 0.000 0.770 632 P CB 0.734 32.329 31.700 -0.174 0.000 0.836 633 S N -0.330 115.093 115.700 -0.462 0.000 2.561 633 S HA 0.029 4.499 4.470 0.001 0.000 0.225 633 S C 0.487 174.863 174.600 -0.373 0.000 0.977 633 S CA 0.409 58.153 58.200 -0.760 0.000 0.926 633 S CB -0.319 62.450 63.200 -0.719 0.000 0.769 633 S HN 0.550 nan 8.310 nan 0.000 0.533 634 D N -0.787 119.476 120.400 -0.228 0.000 2.779 634 D HA 0.366 5.006 4.640 0.001 0.000 0.331 634 D C -0.967 175.263 176.300 -0.117 0.000 1.331 634 D CA -0.784 53.126 54.000 -0.149 0.000 0.866 634 D CB 0.502 41.224 40.800 -0.131 0.000 1.409 634 D HN 0.109 nan 8.370 nan 0.000 0.486 635 L N 0.302 121.451 121.223 -0.123 0.000 2.483 635 L HA 0.345 4.686 4.340 0.001 0.000 0.275 635 L C 0.082 176.898 176.870 -0.090 0.000 1.220 635 L CA -0.388 54.377 54.840 -0.125 0.000 0.833 635 L CB 0.529 42.448 42.059 -0.234 0.000 1.102 635 L HN 0.118 nan 8.230 nan 0.000 0.490 636 V N 4.327 124.206 119.914 -0.058 0.000 2.327 636 V HA 0.278 4.399 4.120 0.001 0.000 0.272 636 V C 0.031 176.114 176.094 -0.018 0.000 1.019 636 V CA -0.333 61.951 62.300 -0.028 0.000 0.814 636 V CB 1.109 32.933 31.823 0.001 0.000 1.040 636 V HN 0.461 nan 8.190 nan 0.000 0.440 637 L N 4.138 125.348 121.223 -0.022 0.000 2.281 637 L HA 0.739 5.080 4.340 0.001 0.000 0.285 637 L C 0.733 177.629 176.870 0.044 0.000 1.074 637 L CA 0.049 54.893 54.840 0.007 0.000 0.817 637 L CB 1.150 43.219 42.059 0.016 0.000 1.168 637 L HN 0.636 nan 8.230 nan 0.000 0.434 638 A N 3.998 126.857 122.820 0.066 0.000 2.256 638 A HA 0.794 5.115 4.320 0.001 0.000 0.318 638 A C -0.470 177.136 177.584 0.037 0.000 1.103 638 A CA -0.519 51.560 52.037 0.070 0.000 0.860 638 A CB 1.183 20.254 19.000 0.119 0.000 1.182 638 A HN 0.912 nan 8.150 nan 0.000 0.501 639 N N -2.324 116.330 118.700 -0.077 0.000 2.927 639 N HA 0.731 5.471 4.740 0.001 0.000 0.248 639 N C -0.472 174.661 175.510 -0.628 0.000 1.443 639 N CA -0.104 52.692 53.050 -0.424 0.000 0.870 639 N CB 1.168 39.636 38.487 -0.032 0.000 1.444 639 N HN 1.330 nan 8.380 nan 0.000 0.519 640 G N -1.799 106.322 108.800 -1.132 0.000 2.325 640 G HA2 0.625 4.586 3.960 0.001 0.000 0.295 640 G HA3 0.625 4.586 3.960 0.001 0.000 0.295 640 G C -1.525 173.155 174.900 -0.367 0.000 1.274 640 G CA -0.251 44.515 45.100 -0.556 0.000 0.857 640 G HN 1.123 nan 8.290 nan 0.000 0.499 641 G N -1.634 107.140 108.800 -0.043 0.000 2.698 641 G HA2 0.692 4.652 3.960 0.001 0.000 0.293 641 G HA3 0.692 4.652 3.960 0.001 0.000 0.293 641 G C -2.040 172.780 174.900 -0.134 0.000 1.437 641 G CA -0.548 44.601 45.100 0.082 0.000 0.852 641 G HN 0.836 nan 8.290 nan 0.000 0.499 642 H N -0.915 118.332 119.070 0.294 0.000 2.930 642 H HA 0.792 5.348 4.556 0.001 0.000 0.371 642 H C -0.206 175.232 175.328 0.184 0.000 1.169 642 H CA -0.007 56.218 56.048 0.294 0.000 1.157 642 H CB 2.331 32.313 29.762 0.368 0.000 1.789 642 H HN 0.852 nan 8.280 nan 0.000 0.547 643 A N 1.395 124.373 122.820 0.264 0.000 2.398 643 A HA 0.832 5.152 4.320 0.001 0.000 0.301 643 A C -1.206 176.278 177.584 -0.167 0.000 1.041 643 A CA -0.269 51.828 52.037 0.100 0.000 0.711 643 A CB 1.111 20.234 19.000 0.204 0.000 1.240 643 A HN 0.822 nan 8.150 nan 0.000 0.420 644 A N 2.067 124.658 122.820 -0.381 0.000 2.401 644 A HA 0.837 5.158 4.320 0.001 0.000 0.310 644 A C -0.912 176.502 177.584 -0.283 0.000 1.075 644 A CA -0.428 51.208 52.037 -0.668 0.000 0.746 644 A CB 0.890 19.314 19.000 -0.960 0.000 1.277 644 A HN 0.775 nan 8.150 nan 0.000 0.425 645 I N 2.432 122.890 120.570 -0.188 0.000 2.406 645 I HA 0.494 4.665 4.170 0.001 0.000 0.290 645 I C -0.427 175.700 176.117 0.017 0.000 0.999 645 I CA -0.917 60.357 61.300 -0.044 0.000 1.124 645 I CB 1.914 39.965 38.000 0.085 0.000 1.289 645 I HN 0.569 nan 8.210 nan 0.000 0.441 646 V N 2.523 122.479 119.914 0.069 0.000 2.864 646 V HA 0.643 4.764 4.120 0.001 0.000 0.314 646 V C -0.679 175.498 176.094 0.139 0.000 1.073 646 V CA -0.588 61.767 62.300 0.092 0.000 0.956 646 V CB 1.973 33.846 31.823 0.083 0.000 1.023 646 V HN 0.859 nan 8.190 nan 0.000 0.435 647 E N 3.014 123.285 120.200 0.118 0.000 2.191 647 E HA 0.625 4.975 4.350 0.001 0.000 0.263 647 E C -1.579 175.083 176.600 0.103 0.000 0.881 647 E CA -0.806 55.664 56.400 0.116 0.000 0.757 647 E CB 1.960 31.709 29.700 0.081 0.000 1.147 647 E HN 0.832 nan 8.360 nan 0.000 0.414 648 I N 3.525 124.172 120.570 0.128 0.000 2.378 648 I HA 0.193 4.363 4.170 0.001 0.000 0.291 648 I C -0.344 175.757 176.117 -0.026 0.000 0.992 648 I CA -0.907 60.463 61.300 0.117 0.000 1.154 648 I CB 1.725 39.878 38.000 0.255 0.000 1.315 648 I HN 0.581 nan 8.210 nan 0.000 0.448 649 D N 4.479 124.837 120.400 -0.071 0.000 2.343 649 D HA 0.281 4.921 4.640 0.001 0.000 0.255 649 D C 1.037 177.140 176.300 -0.329 0.000 1.187 649 D CA 0.035 53.918 54.000 -0.196 0.000 0.875 649 D CB 1.606 42.316 40.800 -0.151 0.000 1.136 649 D HN 0.646 nan 8.370 nan 0.000 0.469 650 A N 2.823 125.329 122.820 -0.523 0.000 2.070 650 A HA -0.118 4.202 4.320 0.001 0.000 0.220 650 A C 2.033 179.367 177.584 -0.417 0.000 1.159 650 A CA 1.259 52.965 52.037 -0.553 0.000 0.656 650 A CB -0.068 18.538 19.000 -0.657 0.000 0.800 650 A HN 0.534 nan 8.150 nan 0.000 0.453 651 S N -1.403 114.044 115.700 -0.422 0.000 2.468 651 S HA -0.030 4.440 4.470 0.001 0.000 0.226 651 S C 1.961 176.170 174.600 -0.651 0.000 1.051 651 S CA 1.271 59.215 58.200 -0.427 0.000 0.943 651 S CB 0.016 63.081 63.200 -0.226 0.000 0.810 651 S HN 0.864 nan 8.310 nan 0.000 0.509 652 T N -2.132 112.095 114.554 -0.544 0.000 3.001 652 T HA 0.193 4.544 4.350 0.001 0.000 0.251 652 T C 0.416 174.964 174.700 -0.253 0.000 1.040 652 T CA -0.124 61.754 62.100 -0.371 0.000 0.985 652 T CB -0.519 68.257 68.868 -0.152 0.000 1.011 652 T HN 0.364 nan 8.240 nan 0.000 0.509 653 Y N 0.124 120.443 120.300 0.031 0.000 4.668 653 Y HA -0.221 4.329 4.550 0.001 0.000 0.234 653 Y C 0.915 176.843 175.900 0.047 0.000 1.056 653 Y CA -0.137 58.004 58.100 0.067 0.000 2.025 653 Y CB -2.567 35.959 38.460 0.109 0.000 1.613 653 Y HN 0.613 nan 8.280 nan 0.000 0.653 654 A N 0.643 123.508 122.820 0.075 0.000 2.440 654 A HA 0.569 4.889 4.320 0.001 0.000 0.251 654 A C 0.584 178.209 177.584 0.069 0.000 1.089 654 A CA 0.598 52.671 52.037 0.060 0.000 0.779 654 A CB 0.321 19.329 19.000 0.012 0.000 1.022 654 A HN 0.254 nan 8.150 nan 0.000 0.492 655 T N 2.290 116.889 114.554 0.075 0.000 2.807 655 T HA 0.609 4.960 4.350 0.001 0.000 0.279 655 T C -0.140 174.598 174.700 0.063 0.000 0.993 655 T CA -0.411 61.738 62.100 0.081 0.000 0.970 655 T CB 1.035 69.960 68.868 0.095 0.000 0.950 655 T HN 0.727 nan 8.240 nan 0.000 0.441 656 R N 2.210 122.749 120.500 0.065 0.000 2.575 656 R HA 0.597 4.937 4.340 0.001 0.000 0.293 656 R C -1.548 174.795 176.300 0.071 0.000 0.983 656 R CA -0.594 55.541 56.100 0.059 0.000 0.887 656 R CB 1.243 31.571 30.300 0.046 0.000 1.184 656 R HN 0.453 nan 8.270 nan 0.000 0.445 657 V N 4.784 124.745 119.914 0.078 0.000 2.372 657 V HA 0.087 4.208 4.120 0.001 0.000 0.261 657 V C 1.388 177.528 176.094 0.077 0.000 1.055 657 V CA 0.060 62.415 62.300 0.092 0.000 0.930 657 V CB 0.735 32.655 31.823 0.162 0.000 1.031 657 V HN 1.049 nan 8.190 nan 0.000 0.479 658 T N 0.547 115.137 114.554 0.060 0.000 3.035 658 T HA 0.105 4.455 4.350 0.001 0.000 0.259 658 T C 0.273 174.982 174.700 0.015 0.000 1.078 658 T CA 0.373 62.502 62.100 0.049 0.000 1.132 658 T CB 0.051 68.960 68.868 0.068 0.000 0.900 658 T HN 0.619 nan 8.240 nan 0.000 0.480 659 D N -0.756 119.626 120.400 -0.030 0.000 2.661 659 D HA 0.649 5.290 4.640 0.001 0.000 0.228 659 D C -1.959 174.167 176.300 -0.290 0.000 1.183 659 D CA -0.498 53.386 54.000 -0.193 0.000 0.844 659 D CB 1.865 42.540 40.800 -0.209 0.000 1.555 659 D HN 0.112 nan 8.370 nan 0.000 0.453 660 F N 1.328 120.942 119.950 -0.561 0.000 2.588 660 F HA 0.534 5.062 4.527 0.001 0.000 0.318 660 F C -1.713 173.756 175.800 -0.552 0.000 1.155 660 F CA -0.743 57.034 58.000 -0.372 0.000 0.967 660 F CB 1.170 40.086 39.000 -0.140 0.000 1.236 660 F HN 0.221 nan 8.300 nan 0.000 0.455 661 F N 3.409 123.512 119.950 0.255 0.000 2.520 661 F HA 0.822 5.350 4.527 0.001 0.000 0.322 661 F C -0.102 175.842 175.800 0.240 0.000 1.103 661 F CA -0.945 57.166 58.000 0.184 0.000 0.926 661 F CB 1.952 40.998 39.000 0.077 0.000 1.154 661 F HN 0.521 nan 8.300 nan 0.000 0.453 662 A N 2.120 125.119 122.820 0.297 0.000 2.393 662 A HA 0.851 5.172 4.320 0.001 0.000 0.306 662 A C -1.724 175.854 177.584 -0.010 0.000 1.050 662 A CA -0.742 51.366 52.037 0.119 0.000 0.724 662 A CB 1.551 20.649 19.000 0.164 0.000 1.248 662 A HN 0.540 nan 8.150 nan 0.000 0.424 663 V N 2.032 121.891 119.914 -0.091 0.000 2.444 663 V HA 0.584 4.704 4.120 0.001 0.000 0.294 663 V C -0.512 175.540 176.094 -0.071 0.000 1.022 663 V CA -0.353 61.899 62.300 -0.080 0.000 0.850 663 V CB 1.449 33.244 31.823 -0.047 0.000 0.992 663 V HN 1.005 nan 8.190 nan 0.000 0.426 664 E N 3.377 123.554 120.200 -0.039 0.000 2.248 664 E HA 0.534 4.885 4.350 0.001 0.000 0.267 664 E C -1.475 175.177 176.600 0.087 0.000 0.877 664 E CA -0.477 55.963 56.400 0.067 0.000 0.759 664 E CB 1.918 31.710 29.700 0.154 0.000 1.182 664 E HN 0.584 nan 8.360 nan 0.000 0.418 665 D N 3.926 124.362 120.400 0.059 0.000 2.389 665 D HA 0.168 4.808 4.640 0.001 0.000 0.256 665 D C -0.674 175.658 176.300 0.053 0.000 1.239 665 D CA -0.508 53.516 54.000 0.041 0.000 0.925 665 D CB 0.302 41.092 40.800 -0.017 0.000 1.145 665 D HN 0.537 nan 8.370 nan 0.000 0.542 666 C N 2.454 121.799 119.300 0.076 0.000 2.469 666 C HA 0.810 5.271 4.460 0.001 0.000 0.298 666 C C 1.305 176.315 174.990 0.032 0.000 1.436 666 C CA 0.040 59.099 59.018 0.070 0.000 1.783 666 C CB -1.020 26.777 27.740 0.095 0.000 2.726 666 C HN 0.688 nan 8.230 nan 0.000 0.541 667 G N 1.926 110.732 108.800 0.011 0.000 2.566 667 G HA2 -0.184 3.776 3.960 0.001 0.000 0.280 667 G HA3 -0.184 3.776 3.960 0.001 0.000 0.280 667 G C -0.099 174.794 174.900 -0.012 0.000 1.225 667 G CA 0.241 45.334 45.100 -0.012 0.000 0.966 667 G HN 0.740 nan 8.290 nan 0.000 0.560 668 T N 2.381 116.922 114.554 -0.021 0.000 2.799 668 T HA 0.464 4.814 4.350 0.001 0.000 0.296 668 T C 0.880 175.564 174.700 -0.026 0.000 0.947 668 T CA 0.383 62.466 62.100 -0.028 0.000 1.141 668 T CB 0.291 69.139 68.868 -0.033 0.000 0.891 668 T HN 0.456 nan 8.240 nan 0.000 0.533 669 M N 4.025 123.601 119.600 -0.039 0.000 2.185 669 M HA 0.281 4.761 4.480 0.001 0.000 0.357 669 M C 1.172 177.447 176.300 -0.042 0.000 1.260 669 M CA -0.236 55.037 55.300 -0.045 0.000 1.124 669 M CB 0.844 33.386 32.600 -0.098 0.000 1.600 669 M HN 0.602 nan 8.290 nan 0.000 0.467 670 I N 1.514 122.068 120.570 -0.026 0.000 2.277 670 I HA -0.106 4.065 4.170 0.001 0.000 0.243 670 I C 1.078 177.181 176.117 -0.024 0.000 1.094 670 I CA 0.944 62.230 61.300 -0.024 0.000 1.393 670 I CB -0.018 37.974 38.000 -0.013 0.000 1.078 670 I HN 0.686 nan 8.210 nan 0.000 0.417 671 N N 0.242 118.931 118.700 -0.019 0.000 2.607 671 N HA 0.187 4.928 4.740 0.001 0.000 0.271 671 N C -2.235 173.258 175.510 -0.029 0.000 1.142 671 N CA -1.462 51.578 53.050 -0.018 0.000 0.810 671 N CB 1.679 40.167 38.487 0.003 0.000 1.306 671 N HN -0.221 nan 8.380 nan 0.000 0.536 672 P HA -0.172 nan 4.420 nan 0.000 0.216 672 P C 1.755 179.036 177.300 -0.032 0.000 1.154 672 P CA 1.272 64.304 63.100 -0.114 0.000 0.865 672 P CB 0.333 31.939 31.700 -0.156 0.000 0.789 673 M N -1.269 118.328 119.600 -0.005 0.000 2.080 673 M HA -0.182 4.299 4.480 0.001 0.000 0.260 673 M C 1.937 178.260 176.300 0.038 0.000 1.068 673 M CA 2.047 57.362 55.300 0.024 0.000 1.109 673 M CB -0.591 32.021 32.600 0.020 0.000 1.342 673 M HN -0.157 nan 8.290 nan 0.000 0.405 674 I N -0.430 120.159 120.570 0.031 0.000 2.286 674 I HA -0.260 3.910 4.170 0.001 0.000 0.248 674 I C 2.210 178.362 176.117 0.058 0.000 1.115 674 I CA 0.891 62.216 61.300 0.042 0.000 1.392 674 I CB -0.301 37.721 38.000 0.038 0.000 1.065 674 I HN 0.166 nan 8.210 nan 0.000 0.418 675 V N 0.663 120.611 119.914 0.057 0.000 2.343 675 V HA -0.272 3.848 4.120 0.001 0.000 0.247 675 V C 2.319 178.490 176.094 0.128 0.000 1.051 675 V CA 1.856 64.209 62.300 0.088 0.000 1.036 675 V CB -0.622 31.246 31.823 0.074 0.000 0.654 675 V HN 0.444 nan 8.190 nan 0.000 0.451 676 E N 0.172 120.454 120.200 0.136 0.000 2.150 676 E HA -0.124 4.227 4.350 0.001 0.000 0.193 676 E C 2.318 178.975 176.600 0.094 0.000 0.985 676 E CA 1.076 57.565 56.400 0.149 0.000 0.814 676 E CB -0.381 29.414 29.700 0.159 0.000 0.752 676 E HN 0.665 nan 8.360 nan 0.000 0.466 677 G N 1.257 110.104 108.800 0.077 0.000 2.418 677 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 677 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 677 G C 1.546 176.486 174.900 0.066 0.000 1.158 677 G CA 0.322 45.459 45.100 0.063 0.000 0.771 677 G HN 0.097 nan 8.290 nan 0.000 0.545 678 Q N 0.117 119.964 119.800 0.078 0.000 2.124 678 Q HA 0.019 4.359 4.340 0.001 0.000 0.202 678 Q C 2.702 178.743 176.000 0.069 0.000 0.977 678 Q CA 0.743 56.596 55.803 0.084 0.000 0.850 678 Q CB -0.213 28.581 28.738 0.092 0.000 0.901 678 Q HN 0.573 nan 8.270 nan 0.000 0.429 679 I N 0.272 120.891 120.570 0.080 0.000 2.202 679 I HA -0.264 3.906 4.170 0.001 0.000 0.242 679 I C 2.502 178.621 176.117 0.003 0.000 1.091 679 I CA 1.050 62.394 61.300 0.073 0.000 1.368 679 I CB -0.189 37.880 38.000 0.116 0.000 1.058 679 I HN 0.136 nan 8.210 nan 0.000 0.410 680 R N 0.578 121.079 120.500 0.001 0.000 2.092 680 R HA -0.092 4.249 4.340 0.001 0.000 0.231 680 R C 2.404 178.663 176.300 -0.068 0.000 1.119 680 R CA 1.422 57.493 56.100 -0.049 0.000 0.970 680 R CB -0.720 29.570 30.300 -0.017 0.000 0.864 680 R HN 0.440 nan 8.270 nan 0.000 0.440 681 G N 0.340 109.129 108.800 -0.019 0.000 2.418 681 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 681 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 681 G C 1.499 176.358 174.900 -0.068 0.000 1.158 681 G CA 0.848 45.939 45.100 -0.016 0.000 0.771 681 G HN 0.453 nan 8.290 nan 0.000 0.545 682 G N 0.886 109.645 108.800 -0.067 0.000 2.408 682 G HA2 -0.130 3.831 3.960 0.001 0.000 0.217 682 G HA3 -0.130 3.831 3.960 0.001 0.000 0.217 682 G C 1.764 176.541 174.900 -0.206 0.000 1.150 682 G CA 0.684 45.712 45.100 -0.122 0.000 0.776 682 G HN 0.439 nan 8.290 nan 0.000 0.542 683 I N 1.282 121.695 120.570 -0.262 0.000 2.286 683 I HA -0.170 4.000 4.170 0.001 0.000 0.248 683 I C 3.257 179.157 176.117 -0.361 0.000 1.115 683 I CA 0.890 61.915 61.300 -0.459 0.000 1.392 683 I CB -0.132 37.462 38.000 -0.676 0.000 1.065 683 I HN 0.251 nan 8.210 nan 0.000 0.418 684 A N 0.155 122.835 122.820 -0.233 0.000 1.877 684 A HA -0.254 4.066 4.320 0.001 0.000 0.216 684 A C 2.241 179.756 177.584 -0.116 0.000 1.186 684 A CA 1.501 53.447 52.037 -0.152 0.000 0.620 684 A CB -0.605 18.333 19.000 -0.103 0.000 0.822 684 A HN 0.447 nan 8.150 nan 0.000 0.443 685 Q N -0.718 119.009 119.800 -0.121 0.000 2.170 685 Q HA -0.091 4.250 4.340 0.001 0.000 0.203 685 Q C 2.364 178.334 176.000 -0.050 0.000 0.976 685 Q CA 1.215 56.974 55.803 -0.073 0.000 0.858 685 Q CB -0.366 28.314 28.738 -0.098 0.000 0.907 685 Q HN 0.703 nan 8.270 nan 0.000 0.433 686 A N 0.791 123.546 122.820 -0.107 0.000 1.898 686 A HA -0.158 4.163 4.320 0.001 0.000 0.216 686 A C 1.987 179.562 177.584 -0.016 0.000 1.181 686 A CA 1.041 53.031 52.037 -0.078 0.000 0.620 686 A CB -0.505 18.411 19.000 -0.140 0.000 0.819 686 A HN 0.302 nan 8.150 nan 0.000 0.442 687 I N -0.351 120.202 120.570 -0.028 0.000 2.315 687 I HA -0.172 3.998 4.170 0.001 0.000 0.248 687 I C 2.645 178.768 176.117 0.010 0.000 1.117 687 I CA 0.940 62.256 61.300 0.027 0.000 1.404 687 I CB -0.491 37.520 38.000 0.019 0.000 1.071 687 I HN 0.403 nan 8.210 nan 0.000 0.419 688 G N -0.113 108.680 108.800 -0.012 0.000 2.433 688 G HA2 -0.312 3.648 3.960 0.001 0.000 0.216 688 G HA3 -0.312 3.648 3.960 0.001 0.000 0.216 688 G C 1.530 176.424 174.900 -0.009 0.000 1.186 688 G CA 0.647 45.733 45.100 -0.023 0.000 0.779 688 G HN 0.380 nan 8.290 nan 0.000 0.543 689 Q N 0.293 120.115 119.800 0.037 0.000 2.096 689 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 689 Q C 2.679 178.707 176.000 0.046 0.000 0.982 689 Q CA 2.295 58.137 55.803 0.065 0.000 0.850 689 Q CB -0.324 28.476 28.738 0.103 0.000 0.901 689 Q HN 0.608 nan 8.270 nan 0.000 0.422 690 T N -2.443 112.137 114.554 0.044 0.000 3.043 690 T HA 0.047 4.398 4.350 0.001 0.000 0.263 690 T C 1.574 176.301 174.700 0.044 0.000 1.094 690 T CA 0.655 62.786 62.100 0.052 0.000 1.127 690 T CB 0.110 69.019 68.868 0.067 0.000 0.905 690 T HN 0.291 nan 8.240 nan 0.000 0.490 691 L N -1.326 119.914 121.223 0.028 0.000 2.993 691 L HA 0.495 4.835 4.340 0.001 0.000 0.264 691 L C 1.622 178.486 176.870 -0.009 0.000 1.154 691 L CA 0.091 54.945 54.840 0.023 0.000 0.972 691 L CB 0.373 42.455 42.059 0.038 0.000 1.373 691 L HN 0.158 nan 8.230 nan 0.000 0.564 692 L N -1.440 119.757 121.223 -0.044 0.000 2.746 692 L HA 0.243 4.584 4.340 0.001 0.000 0.230 692 L C 0.243 176.996 176.870 -0.195 0.000 1.034 692 L CA -0.026 54.754 54.840 -0.100 0.000 0.922 692 L CB 0.622 42.617 42.059 -0.106 0.000 1.496 692 L HN 0.013 nan 8.230 nan 0.000 0.498 693 E N 1.833 121.894 120.200 -0.231 0.000 2.313 693 E HA 0.342 4.693 4.350 0.001 0.000 0.276 693 E C -0.500 175.993 176.600 -0.179 0.000 1.031 693 E CA 0.039 56.187 56.400 -0.421 0.000 0.857 693 E CB 1.361 30.834 29.700 -0.379 0.000 1.040 693 E HN 0.066 nan 8.360 nan 0.000 0.408 694 E N 2.180 122.289 120.200 -0.152 0.000 2.406 694 E HA 0.152 4.503 4.350 0.001 0.000 0.297 694 E C -1.751 174.945 176.600 0.161 0.000 0.917 694 E CA -0.381 56.058 56.400 0.066 0.000 0.795 694 E CB 1.570 31.272 29.700 0.003 0.000 1.285 694 E HN 0.221 nan 8.360 nan 0.000 0.400 695 V N 6.053 126.046 119.914 0.131 0.000 2.432 695 V HA 0.363 4.483 4.120 0.001 0.000 0.271 695 V C 0.139 176.155 176.094 -0.131 0.000 1.046 695 V CA -0.014 62.217 62.300 -0.115 0.000 0.945 695 V CB 0.778 32.335 31.823 -0.443 0.000 0.992 695 V HN 0.534 nan 8.190 nan 0.000 0.471 696 I N 5.731 126.198 120.570 -0.172 0.000 2.406 696 I HA 0.433 4.604 4.170 0.001 0.000 0.290 696 I C -1.023 175.003 176.117 -0.150 0.000 0.999 696 I CA -0.619 60.626 61.300 -0.092 0.000 1.124 696 I CB 1.560 39.531 38.000 -0.048 0.000 1.289 696 I HN 0.454 nan 8.210 nan 0.000 0.441 697 Y N 3.959 124.259 120.300 -0.001 0.000 2.341 697 Y HA 0.242 4.792 4.550 0.001 0.000 0.337 697 Y C 0.321 176.242 175.900 0.036 0.000 1.014 697 Y CA -0.779 57.340 58.100 0.032 0.000 1.111 697 Y CB 1.220 39.707 38.460 0.045 0.000 1.194 697 Y HN 0.609 nan 8.280 nan 0.000 0.462 698 D N -0.170 120.355 120.400 0.208 0.000 2.447 698 D HA 0.023 4.663 4.640 0.001 0.000 0.265 698 D C 0.270 176.639 176.300 0.115 0.000 1.250 698 D CA -0.326 53.770 54.000 0.160 0.000 1.046 698 D CB 0.535 41.459 40.800 0.205 0.000 1.095 698 D HN 0.397 nan 8.370 nan 0.000 0.555 699 D N -1.437 118.960 120.400 -0.005 0.000 2.384 699 D HA -0.073 4.567 4.640 0.001 0.000 0.222 699 D C 0.656 176.677 176.300 -0.465 0.000 0.976 699 D CA 0.782 54.617 54.000 -0.275 0.000 0.915 699 D CB -0.228 40.295 40.800 -0.460 0.000 0.896 699 D HN 0.349 nan 8.370 nan 0.000 0.523 700 F N -1.208 118.789 119.950 0.078 0.000 2.682 700 F HA 0.320 4.848 4.527 0.001 0.000 0.308 700 F C 1.871 177.741 175.800 0.117 0.000 1.093 700 F CA 0.031 58.084 58.000 0.088 0.000 1.244 700 F CB 0.680 39.731 39.000 0.086 0.000 1.052 700 F HN -0.030 nan 8.300 nan 0.000 0.573 701 G N -0.104 108.855 108.800 0.264 0.000 2.157 701 G HA2 -0.209 3.751 3.960 0.001 0.000 0.239 701 G HA3 -0.209 3.751 3.960 0.001 0.000 0.239 701 G C 0.186 175.322 174.900 0.393 0.000 0.982 701 G CA -0.448 44.818 45.100 0.277 0.000 0.650 701 G HN 0.174 nan 8.290 nan 0.000 0.527 702 Q N -0.169 119.823 119.800 0.320 0.000 2.293 702 Q HA 0.418 4.759 4.340 0.001 0.000 0.251 702 Q C 0.489 176.571 176.000 0.137 0.000 0.930 702 Q CA -0.388 55.540 55.803 0.208 0.000 0.893 702 Q CB 1.654 30.465 28.738 0.122 0.000 1.215 702 Q HN 0.453 nan 8.270 nan 0.000 0.425 703 L N 3.847 125.062 121.223 -0.012 0.000 2.295 703 L HA 0.065 4.405 4.340 0.001 0.000 0.288 703 L C 1.080 177.841 176.870 -0.182 0.000 1.079 703 L CA -0.209 54.444 54.840 -0.310 0.000 0.830 703 L CB 0.622 42.501 42.059 -0.300 0.000 1.200 703 L HN 0.557 nan 8.230 nan 0.000 0.438 704 V N 0.775 120.584 119.914 -0.174 0.000 3.541 704 V HA 0.063 4.183 4.120 0.001 0.000 0.267 704 V C 0.919 176.917 176.094 -0.159 0.000 1.213 704 V CA 0.743 62.973 62.300 -0.117 0.000 1.149 704 V CB -0.282 31.504 31.823 -0.063 0.000 0.822 704 V HN 0.810 nan 8.190 nan 0.000 0.462 705 T N -0.590 113.818 114.554 -0.244 0.000 2.893 705 T HA 0.565 4.916 4.350 0.001 0.000 0.324 705 T C 0.433 174.838 174.700 -0.491 0.000 1.082 705 T CA 0.431 62.336 62.100 -0.325 0.000 0.983 705 T CB 0.753 69.438 68.868 -0.306 0.000 1.005 705 T HN 0.560 nan 8.240 nan 0.000 0.475 706 T N -1.433 112.887 114.554 -0.390 0.000 3.144 706 T HA 0.343 4.693 4.350 0.001 0.000 0.290 706 T C 0.611 175.234 174.700 -0.127 0.000 0.966 706 T CA 0.152 62.093 62.100 -0.266 0.000 0.907 706 T CB 0.085 68.933 68.868 -0.034 0.000 1.152 706 T HN 0.853 nan 8.240 nan 0.000 0.532 707 T N -0.798 113.607 114.554 -0.249 0.000 2.883 707 T HA 0.645 4.996 4.350 0.001 0.000 0.296 707 T C 0.289 174.999 174.700 0.018 0.000 1.117 707 T CA -0.856 61.241 62.100 -0.005 0.000 1.006 707 T CB 1.367 70.235 68.868 0.000 0.000 1.191 707 T HN -0.138 nan 8.240 nan 0.000 0.508 708 L N 0.873 122.192 121.223 0.159 0.000 2.622 708 L HA 0.218 4.558 4.340 0.001 0.000 0.233 708 L C 2.137 179.052 176.870 0.075 0.000 1.156 708 L CA 1.010 55.956 54.840 0.177 0.000 0.866 708 L CB -1.041 41.118 42.059 0.168 0.000 0.980 708 L HN 0.693 nan 8.230 nan 0.000 0.448 709 M N -1.624 117.993 119.600 0.028 0.000 2.334 709 M HA -0.026 4.455 4.480 0.001 0.000 0.266 709 M C 1.086 177.370 176.300 -0.027 0.000 1.082 709 M CA 1.072 56.371 55.300 -0.001 0.000 1.141 709 M CB -0.421 32.174 32.600 -0.008 0.000 1.380 709 M HN 0.161 nan 8.290 nan 0.000 0.440 710 D N -1.650 118.720 120.400 -0.051 0.000 2.392 710 D HA 0.027 4.668 4.640 0.001 0.000 0.206 710 D C -0.203 176.050 176.300 -0.078 0.000 1.046 710 D CA 0.314 54.267 54.000 -0.078 0.000 0.865 710 D CB 0.496 41.230 40.800 -0.109 0.000 0.969 710 D HN 0.191 nan 8.370 nan 0.000 0.509 711 Y N 1.969 122.147 120.300 -0.204 0.000 2.417 711 Y HA 0.346 4.897 4.550 0.001 0.000 0.336 711 Y C -0.662 175.216 175.900 -0.037 0.000 0.961 711 Y CA -0.726 57.271 58.100 -0.172 0.000 1.215 711 Y CB 0.291 38.564 38.460 -0.313 0.000 1.120 711 Y HN -0.271 nan 8.280 nan 0.000 0.499 712 L N 8.577 129.581 121.223 -0.365 0.000 2.261 712 L HA 0.435 4.776 4.340 0.001 0.000 0.289 712 L C -0.068 176.643 176.870 -0.265 0.000 1.059 712 L CA -0.634 54.072 54.840 -0.224 0.000 0.816 712 L CB 0.244 42.205 42.059 -0.164 0.000 1.191 712 L HN 0.569 nan 8.230 nan 0.000 0.431 713 I N 1.348 121.860 120.570 -0.097 0.000 2.607 713 I HA 0.622 4.793 4.170 0.001 0.000 0.305 713 I C -2.179 173.917 176.117 -0.034 0.000 0.995 713 I CA -2.543 58.725 61.300 -0.052 0.000 1.148 713 I CB 1.314 39.348 38.000 0.056 0.000 1.323 713 I HN 0.314 nan 8.210 nan 0.000 0.461 714 P HA 0.082 nan 4.420 nan 0.000 0.266 714 P C -0.290 177.003 177.300 -0.012 0.000 1.195 714 P CA 0.148 63.233 63.100 -0.024 0.000 0.768 714 P CB 0.650 32.333 31.700 -0.029 0.000 0.838 715 T N -2.794 111.755 114.554 -0.009 0.000 2.841 715 T HA 0.314 4.664 4.350 0.001 0.000 0.276 715 T C 1.447 176.145 174.700 -0.002 0.000 1.003 715 T CA -0.004 62.094 62.100 -0.003 0.000 0.995 715 T CB 0.167 69.035 68.868 -0.001 0.000 1.260 715 T HN 0.416 nan 8.240 nan 0.000 0.581 716 T N -0.516 114.039 114.554 0.001 0.000 2.946 716 T HA -0.027 4.323 4.350 0.001 0.000 0.271 716 T C 1.645 176.347 174.700 0.004 0.000 1.104 716 T CA 0.959 63.060 62.100 0.002 0.000 1.114 716 T CB -0.696 68.174 68.868 0.005 0.000 0.867 716 T HN 0.513 nan 8.240 nan 0.000 0.513 717 L N 0.242 121.467 121.223 0.004 0.000 2.592 717 L HA 0.240 4.580 4.340 0.001 0.000 0.227 717 L C 1.754 178.630 176.870 0.009 0.000 1.127 717 L CA 0.355 55.199 54.840 0.006 0.000 0.884 717 L CB -0.065 41.997 42.059 0.005 0.000 1.065 717 L HN 0.163 nan 8.230 nan 0.000 0.457 718 D N -0.567 119.837 120.400 0.007 0.000 2.380 718 D HA 0.100 4.741 4.640 0.001 0.000 0.212 718 D C 0.507 176.818 176.300 0.017 0.000 1.021 718 D CA 0.594 54.601 54.000 0.011 0.000 0.884 718 D CB 1.193 41.994 40.800 0.002 0.000 1.001 718 D HN 0.034 nan 8.370 nan 0.000 0.506 719 V N 4.427 124.344 119.914 0.005 0.000 2.370 719 V HA 0.283 4.404 4.120 0.001 0.000 0.283 719 V C -1.829 174.270 176.094 0.009 0.000 1.023 719 V CA -1.316 60.983 62.300 -0.001 0.000 0.857 719 V CB 1.813 33.616 31.823 -0.033 0.000 0.985 719 V HN -0.012 nan 8.190 nan 0.000 0.443 720 P HA 0.330 nan 4.420 nan 0.000 0.282 720 P C -0.808 176.496 177.300 0.006 0.000 1.287 720 P CA -0.588 62.526 63.100 0.025 0.000 0.792 720 P CB 0.948 32.674 31.700 0.044 0.000 1.163 721 D N -0.043 120.357 120.400 -0.000 0.000 2.372 721 D HA 0.280 4.920 4.640 0.001 0.000 0.243 721 D C 0.173 176.461 176.300 -0.020 0.000 1.121 721 D CA 0.428 54.425 54.000 -0.006 0.000 0.898 721 D CB 0.682 41.482 40.800 -0.000 0.000 1.202 721 D HN 0.226 nan 8.370 nan 0.000 0.428 722 I N 1.301 121.862 120.570 -0.015 0.000 2.474 722 I HA 0.288 4.459 4.170 0.001 0.000 0.294 722 I C 0.387 176.505 176.117 0.002 0.000 1.005 722 I CA -0.791 60.501 61.300 -0.012 0.000 1.113 722 I CB 1.991 39.983 38.000 -0.014 0.000 1.289 722 I HN 0.000 nan 8.210 nan 0.000 0.436 723 R N 6.451 126.948 120.500 -0.004 0.000 2.294 723 R HA 0.716 5.057 4.340 0.001 0.000 0.319 723 R C -1.332 175.024 176.300 0.094 0.000 0.984 723 R CA -0.334 55.805 56.100 0.065 0.000 0.861 723 R CB 0.869 31.254 30.300 0.142 0.000 1.104 723 R HN 0.585 nan 8.270 nan 0.000 0.451 724 I N 4.018 124.614 120.570 0.043 0.000 2.509 724 I HA 0.522 4.693 4.170 0.001 0.000 0.293 724 I C -0.229 175.803 176.117 -0.142 0.000 1.020 724 I CA -1.121 60.149 61.300 -0.049 0.000 1.088 724 I CB 1.844 39.790 38.000 -0.090 0.000 1.267 724 I HN 0.429 nan 8.210 nan 0.000 0.430 725 R N 4.175 124.538 120.500 -0.227 0.000 2.750 725 R HA 0.581 4.921 4.340 0.001 0.000 0.281 725 R C -1.068 175.009 176.300 -0.372 0.000 0.972 725 R CA -0.904 55.072 56.100 -0.208 0.000 0.912 725 R CB 2.047 32.313 30.300 -0.057 0.000 1.187 725 R HN 0.583 nan 8.270 nan 0.000 0.464 726 H N 2.000 121.085 119.070 0.025 0.000 2.622 726 H HA 0.555 5.111 4.556 0.001 0.000 0.363 726 H C -0.313 175.014 175.328 -0.001 0.000 1.151 726 H CA -0.708 55.349 56.048 0.016 0.000 1.184 726 H CB 2.486 32.259 29.762 0.019 0.000 1.643 726 H HN 0.204 nan 8.280 nan 0.000 0.531 727 L N 1.432 122.724 121.223 0.114 0.000 2.388 727 L HA 0.398 4.739 4.340 0.001 0.000 0.264 727 L C -0.356 176.532 176.870 0.031 0.000 0.998 727 L CA -0.621 54.243 54.840 0.040 0.000 0.817 727 L CB 2.690 44.747 42.059 -0.003 0.000 1.338 727 L HN 0.527 nan 8.230 nan 0.000 0.414 728 E N 1.285 121.483 120.200 -0.004 0.000 2.244 728 E HA 0.370 4.721 4.350 0.001 0.000 0.260 728 E C -1.323 175.247 176.600 -0.051 0.000 0.884 728 E CA -0.456 55.932 56.400 -0.019 0.000 0.777 728 E CB 2.314 32.003 29.700 -0.019 0.000 1.197 728 E HN 0.412 nan 8.360 nan 0.000 0.416 729 T N 4.008 118.524 114.554 -0.064 0.000 2.977 729 T HA 0.298 4.648 4.350 0.001 0.000 0.346 729 T C -2.549 172.104 174.700 -0.077 0.000 1.140 729 T CA -1.636 60.405 62.100 -0.098 0.000 1.040 729 T CB 0.837 69.615 68.868 -0.149 0.000 1.046 729 T HN 0.123 nan 8.240 nan 0.000 0.494 730 P HA 0.105 nan 4.420 nan 0.000 0.265 730 P C -0.132 177.136 177.300 -0.053 0.000 1.193 730 P CA -0.095 62.974 63.100 -0.052 0.000 0.765 730 P CB 0.484 32.155 31.700 -0.049 0.000 0.823 731 S N 4.236 119.914 115.700 -0.037 0.000 2.513 731 S HA 0.302 4.772 4.470 0.001 0.000 0.276 731 S C -1.465 173.120 174.600 -0.025 0.000 1.254 731 S CA -1.511 56.671 58.200 -0.030 0.000 1.053 731 S CB 0.137 63.329 63.200 -0.013 0.000 0.958 731 S HN 0.312 nan 8.310 nan 0.000 0.491 732 P HA 0.128 nan 4.420 nan 0.000 0.249 732 P C 0.611 177.909 177.300 -0.003 0.000 1.229 732 P CA 0.316 63.404 63.100 -0.020 0.000 0.788 732 P CB 0.034 31.719 31.700 -0.026 0.000 1.072 733 L N -1.210 120.016 121.223 0.006 0.000 2.640 733 L HA 0.242 4.582 4.340 0.001 0.000 0.230 733 L C 0.388 177.323 176.870 0.109 0.000 1.123 733 L CA -0.006 54.855 54.840 0.035 0.000 0.900 733 L CB 0.386 42.445 42.059 0.001 0.000 1.146 733 L HN -0.269 nan 8.230 nan 0.000 0.484 734 V N 0.126 120.076 119.914 0.061 0.000 2.709 734 V HA 0.388 4.508 4.120 0.001 0.000 0.308 734 V C -2.333 173.739 176.094 -0.036 0.000 1.062 734 V CA -1.740 60.580 62.300 0.034 0.000 0.901 734 V CB 2.215 34.053 31.823 0.024 0.000 1.003 734 V HN -0.098 nan 8.190 nan 0.000 0.425 735 P HA 0.134 nan 4.420 nan 0.000 0.266 735 P C 0.991 178.248 177.300 -0.073 0.000 1.195 735 P CA 1.392 64.440 63.100 -0.087 0.000 0.768 735 P CB 0.707 32.330 31.700 -0.128 0.000 0.838 736 G N 2.444 111.211 108.800 -0.055 0.000 2.189 736 G HA2 -0.228 3.732 3.960 0.001 0.000 0.267 736 G HA3 -0.228 3.732 3.960 0.001 0.000 0.267 736 G C 0.879 175.754 174.900 -0.041 0.000 0.975 736 G CA 0.506 45.577 45.100 -0.048 0.000 0.644 736 G HN 1.079 nan 8.290 nan 0.000 0.537 737 G N -0.841 107.936 108.800 -0.038 0.000 2.148 737 G HA2 -0.262 3.699 3.960 0.001 0.000 0.254 737 G HA3 -0.262 3.699 3.960 0.001 0.000 0.254 737 G C 0.455 175.338 174.900 -0.028 0.000 0.981 737 G CA 0.427 45.507 45.100 -0.032 0.000 0.670 737 G HN 1.416 nan 8.290 nan 0.000 0.528 738 I N 0.661 121.213 120.570 -0.030 0.000 2.710 738 I HA 0.234 4.405 4.170 0.001 0.000 0.286 738 I C 0.885 176.999 176.117 -0.006 0.000 1.181 738 I CA 0.744 62.031 61.300 -0.022 0.000 1.430 738 I CB 0.564 38.542 38.000 -0.036 0.000 1.367 738 I HN 0.056 nan 8.210 nan 0.000 0.577 739 K N 3.695 124.099 120.400 0.007 0.000 2.400 739 K HA 0.614 4.934 4.320 0.001 0.000 0.246 739 K C -0.024 176.599 176.600 0.038 0.000 0.995 739 K CA -0.857 55.443 56.287 0.023 0.000 0.840 739 K CB 1.951 34.466 32.500 0.025 0.000 1.293 739 K HN 0.693 nan 8.250 nan 0.000 0.445 740 G N 0.236 109.067 108.800 0.051 0.000 2.547 740 G HA2 0.453 4.413 3.960 0.001 0.000 0.291 740 G HA3 0.453 4.413 3.960 0.001 0.000 0.291 740 G C 0.252 175.212 174.900 0.099 0.000 1.211 740 G CA -0.340 44.800 45.100 0.066 0.000 0.950 740 G HN 0.643 nan 8.290 nan 0.000 0.504 741 M N -2.549 117.116 119.600 0.109 0.000 2.749 741 M HA 0.264 4.744 4.480 0.001 0.000 0.479 741 M C 1.465 177.837 176.300 0.120 0.000 1.231 741 M CA 0.532 55.917 55.300 0.141 0.000 0.974 741 M CB -0.197 32.498 32.600 0.159 0.000 2.119 741 M HN 0.649 nan 8.290 nan 0.000 0.717 742 G N 1.537 110.399 108.800 0.102 0.000 2.547 742 G HA2 -0.237 3.724 3.960 0.001 0.000 0.221 742 G HA3 -0.237 3.724 3.960 0.001 0.000 0.221 742 G C 1.331 176.276 174.900 0.076 0.000 1.140 742 G CA 1.729 46.886 45.100 0.094 0.000 0.760 742 G HN 0.699 nan 8.290 nan 0.000 0.583 743 E N 0.437 120.676 120.200 0.066 0.000 2.447 743 E HA 0.045 4.395 4.350 0.001 0.000 0.195 743 E C 2.687 179.263 176.600 -0.040 0.000 1.028 743 E CA 0.451 56.864 56.400 0.021 0.000 0.876 743 E CB 0.155 29.887 29.700 0.054 0.000 0.885 743 E HN 0.568 nan 8.360 nan 0.000 0.500 744 S N 1.759 117.451 115.700 -0.014 0.000 2.393 744 S HA -0.347 4.123 4.470 0.001 0.000 0.235 744 S C 2.273 176.673 174.600 -0.334 0.000 1.061 744 S CA 1.450 59.558 58.200 -0.154 0.000 1.129 744 S CB -0.572 62.704 63.200 0.127 0.000 1.011 744 S HN 0.313 nan 8.310 nan 0.000 0.436 745 A N 1.063 123.781 122.820 -0.171 0.000 1.972 745 A HA 0.163 4.483 4.320 0.001 0.000 0.219 745 A C 2.265 179.631 177.584 -0.365 0.000 1.169 745 A CA 1.637 53.481 52.037 -0.322 0.000 0.635 745 A CB -0.574 18.313 19.000 -0.189 0.000 0.810 745 A HN 0.532 nan 8.150 nan 0.000 0.446 746 M N -0.700 118.747 119.600 -0.255 0.000 2.595 746 M HA 0.214 4.694 4.480 0.001 0.000 0.248 746 M C 1.572 177.752 176.300 -0.200 0.000 1.119 746 M CA 0.629 55.788 55.300 -0.236 0.000 1.079 746 M CB -0.734 31.705 32.600 -0.268 0.000 1.472 746 M HN 0.444 nan 8.290 nan 0.000 0.501 747 I N -1.687 118.746 120.570 -0.228 0.000 2.429 747 I HA -0.153 4.018 4.170 0.001 0.000 0.247 747 I C 2.372 178.373 176.117 -0.193 0.000 1.099 747 I CA 0.803 62.010 61.300 -0.154 0.000 1.422 747 I CB -0.079 37.821 38.000 -0.166 0.000 1.112 747 I HN 0.188 nan 8.210 nan 0.000 0.430 748 S N 0.283 115.761 115.700 -0.370 0.000 2.460 748 S HA 0.133 4.603 4.470 0.001 0.000 0.226 748 S C 2.166 176.649 174.600 -0.195 0.000 1.057 748 S CA 0.713 58.779 58.200 -0.222 0.000 0.948 748 S CB -0.048 63.060 63.200 -0.154 0.000 0.822 748 S HN 0.326 nan 8.310 nan 0.000 0.512 749 A N 2.488 125.015 122.820 -0.489 0.000 1.948 749 A HA 0.028 4.349 4.320 0.001 0.000 0.220 749 A C -0.285 177.322 177.584 0.037 0.000 1.177 749 A CA 1.680 53.588 52.037 -0.215 0.000 0.636 749 A CB -1.832 16.941 19.000 -0.378 0.000 0.815 749 A HN 0.519 nan 8.150 nan 0.000 0.449 750 P HA -0.101 nan 4.420 nan 0.000 0.217 750 P C 1.716 179.040 177.300 0.040 0.000 1.150 750 P CA 1.776 64.887 63.100 0.020 0.000 0.832 750 P CB -0.084 31.610 31.700 -0.011 0.000 0.787 751 A N 0.100 122.932 122.820 0.020 0.000 1.933 751 A HA -0.111 4.210 4.320 0.001 0.000 0.218 751 A C 2.312 179.918 177.584 0.036 0.000 1.175 751 A CA 2.014 54.064 52.037 0.021 0.000 0.628 751 A CB -1.604 17.408 19.000 0.021 0.000 0.814 751 A HN 0.187 nan 8.150 nan 0.000 0.444 752 A N -0.509 122.348 122.820 0.062 0.000 1.902 752 A HA -0.016 4.304 4.320 0.001 0.000 0.217 752 A C 2.229 179.799 177.584 -0.023 0.000 1.181 752 A CA 1.891 53.942 52.037 0.023 0.000 0.623 752 A CB -0.882 18.145 19.000 0.044 0.000 0.818 752 A HN 0.401 nan 8.150 nan 0.000 0.443 753 V N -0.547 119.390 119.914 0.040 0.000 2.307 753 V HA -0.199 3.922 4.120 0.001 0.000 0.245 753 V C 2.554 178.675 176.094 0.046 0.000 1.045 753 V CA 1.848 64.174 62.300 0.044 0.000 1.024 753 V CB -0.816 31.080 31.823 0.122 0.000 0.651 753 V HN 0.356 nan 8.190 nan 0.000 0.449 754 V N 0.517 120.466 119.914 0.059 0.000 2.343 754 V HA -0.265 3.855 4.120 0.001 0.000 0.247 754 V C 2.743 178.876 176.094 0.065 0.000 1.051 754 V CA 2.068 64.413 62.300 0.074 0.000 1.036 754 V CB -1.162 30.716 31.823 0.093 0.000 0.654 754 V HN 0.556 nan 8.190 nan 0.000 0.451 755 A N -0.086 122.756 122.820 0.037 0.000 1.933 755 A HA -0.119 4.201 4.320 0.001 0.000 0.218 755 A C 2.422 180.011 177.584 0.007 0.000 1.175 755 A CA 2.087 54.134 52.037 0.017 0.000 0.628 755 A CB -0.724 18.264 19.000 -0.019 0.000 0.814 755 A HN 0.574 nan 8.150 nan 0.000 0.444 756 A N -0.566 122.250 122.820 -0.007 0.000 1.877 756 A HA -0.006 4.314 4.320 0.001 0.000 0.216 756 A C 2.230 179.845 177.584 0.053 0.000 1.186 756 A CA 1.773 53.807 52.037 -0.005 0.000 0.620 756 A CB -0.977 18.000 19.000 -0.039 0.000 0.822 756 A HN 0.390 nan 8.150 nan 0.000 0.443 757 V N 1.140 121.093 119.914 0.065 0.000 2.343 757 V HA -0.281 3.840 4.120 0.001 0.000 0.247 757 V C 2.317 178.462 176.094 0.085 0.000 1.051 757 V CA 2.134 64.488 62.300 0.090 0.000 1.036 757 V CB -0.920 30.956 31.823 0.088 0.000 0.654 757 V HN 0.578 nan 8.190 nan 0.000 0.451 758 N N 0.020 118.761 118.700 0.068 0.000 2.166 758 N HA -0.197 4.543 4.740 0.001 0.000 0.186 758 N C 1.687 177.232 175.510 0.058 0.000 1.019 758 N CA 1.828 54.912 53.050 0.057 0.000 0.856 758 N CB -0.229 38.295 38.487 0.062 0.000 0.993 758 N HN 0.589 nan 8.380 nan 0.000 0.426 759 D N 0.720 121.159 120.400 0.065 0.000 2.144 759 D HA -0.018 4.623 4.640 0.001 0.000 0.200 759 D C 1.840 178.219 176.300 0.131 0.000 0.978 759 D CA 1.106 55.157 54.000 0.084 0.000 0.833 759 D CB -0.017 40.825 40.800 0.071 0.000 0.961 759 D HN 0.210 nan 8.370 nan 0.000 0.470 760 A N -0.127 122.781 122.820 0.146 0.000 1.933 760 A HA -0.053 4.267 4.320 0.001 0.000 0.218 760 A C 2.146 179.825 177.584 0.158 0.000 1.175 760 A CA 1.017 53.168 52.037 0.190 0.000 0.628 760 A CB -0.547 18.584 19.000 0.219 0.000 0.814 760 A HN 0.387 nan 8.150 nan 0.000 0.444 761 L N -1.217 120.048 121.223 0.070 0.000 2.607 761 L HA 0.169 4.510 4.340 0.001 0.000 0.228 761 L C 2.619 179.423 176.870 -0.110 0.000 1.123 761 L CA 0.360 55.148 54.840 -0.087 0.000 0.890 761 L CB -0.268 41.750 42.059 -0.068 0.000 1.103 761 L HN 0.371 nan 8.230 nan 0.000 0.468 762 A N 1.058 123.892 122.820 0.024 0.000 1.917 762 A HA -0.278 4.043 4.320 0.001 0.000 0.219 762 A C 2.227 179.807 177.584 -0.006 0.000 1.182 762 A CA 2.154 54.202 52.037 0.017 0.000 0.633 762 A CB -0.893 18.144 19.000 0.061 0.000 0.819 762 A HN 0.660 nan 8.150 nan 0.000 0.448 763 H N -0.566 118.460 119.070 -0.074 0.000 2.518 763 H HA 0.029 4.586 4.556 0.001 0.000 0.289 763 H C 1.368 176.643 175.328 -0.087 0.000 1.051 763 H CA 1.399 57.404 56.048 -0.072 0.000 1.280 763 H CB -0.599 29.118 29.762 -0.076 0.000 1.380 763 H HN 0.476 nan 8.280 nan 0.000 0.566 764 L N 0.464 121.311 121.223 -0.626 0.000 2.592 764 L HA 0.073 4.413 4.340 0.001 0.000 0.227 764 L C 0.238 176.973 176.870 -0.224 0.000 1.127 764 L CA 0.211 54.771 54.840 -0.466 0.000 0.884 764 L CB -0.106 41.623 42.059 -0.551 0.000 1.065 764 L HN 0.134 nan 8.230 nan 0.000 0.457 765 E N -0.299 119.806 120.200 -0.157 0.000 2.476 765 E HA -0.179 4.171 4.350 0.001 0.000 0.251 765 E C -0.535 176.010 176.600 -0.091 0.000 1.130 765 E CA 0.000 56.346 56.400 -0.089 0.000 0.736 765 E CB -1.422 28.238 29.700 -0.066 0.000 1.298 765 E HN 0.180 nan 8.360 nan 0.000 0.400 766 V N 0.467 120.316 119.914 -0.108 0.000 2.769 766 V HA 0.640 4.760 4.120 0.001 0.000 0.312 766 V C 0.281 176.335 176.094 -0.067 0.000 1.061 766 V CA -0.453 61.791 62.300 -0.094 0.000 0.931 766 V CB 2.071 33.827 31.823 -0.111 0.000 1.010 766 V HN 0.197 nan 8.190 nan 0.000 0.433 767 V N 2.224 122.101 119.914 -0.063 0.000 3.040 767 V HA 0.740 4.860 4.120 0.001 0.000 0.312 767 V C -0.926 175.134 176.094 -0.057 0.000 1.115 767 V CA -0.760 61.510 62.300 -0.050 0.000 0.998 767 V CB 2.308 34.092 31.823 -0.065 0.000 1.042 767 V HN 0.678 nan 8.190 nan 0.000 0.433 768 I N 1.792 122.341 120.570 -0.034 0.000 2.468 768 I HA 0.482 4.653 4.170 0.001 0.000 0.285 768 I C 0.032 176.135 176.117 -0.023 0.000 1.039 768 I CA -0.073 61.210 61.300 -0.028 0.000 1.074 768 I CB 2.202 40.210 38.000 0.013 0.000 1.228 768 I HN 0.835 nan 8.210 nan 0.000 0.436 769 E N 3.114 123.252 120.200 -0.104 0.000 2.603 769 E HA 0.169 4.519 4.350 0.001 0.000 0.211 769 E C -0.485 176.128 176.600 0.021 0.000 0.995 769 E CA 0.045 56.349 56.400 -0.160 0.000 0.990 769 E CB 1.100 30.353 29.700 -0.744 0.000 1.036 769 E HN 0.462 nan 8.360 nan 0.000 0.475 770 T N 1.291 115.863 114.554 0.030 0.000 2.829 770 T HA 0.409 4.760 4.350 0.001 0.000 0.280 770 T C -0.322 174.420 174.700 0.070 0.000 0.999 770 T CA -0.728 61.405 62.100 0.056 0.000 0.983 770 T CB 1.866 70.744 68.868 0.018 0.000 0.968 770 T HN -0.011 nan 8.240 nan 0.000 0.446 771 V N 1.388 121.352 119.914 0.083 0.000 2.667 771 V HA 0.823 4.944 4.120 0.001 0.000 0.308 771 V C -2.657 173.470 176.094 0.056 0.000 1.048 771 V CA -2.993 59.350 62.300 0.071 0.000 0.928 771 V CB 1.495 33.366 31.823 0.081 0.000 1.004 771 V HN 0.621 nan 8.190 nan 0.000 0.444 772 P HA 0.374 nan 4.420 nan 0.000 0.274 772 P C -0.423 176.897 177.300 0.033 0.000 1.231 772 P CA -0.227 62.892 63.100 0.031 0.000 0.790 772 P CB 1.101 32.802 31.700 0.001 0.000 0.951 773 I N 2.501 123.096 120.570 0.042 0.000 2.260 773 I HA 0.095 4.266 4.170 0.001 0.000 0.297 773 I C 1.408 177.552 176.117 0.045 0.000 1.143 773 I CA -0.110 61.219 61.300 0.048 0.000 1.271 773 I CB 0.022 38.059 38.000 0.062 0.000 1.461 773 I HN 0.364 nan 8.210 nan 0.000 0.530 774 T N 3.271 117.847 114.554 0.036 0.000 2.881 774 T HA 0.355 4.706 4.350 0.001 0.000 0.278 774 T C -1.479 173.254 174.700 0.054 0.000 0.982 774 T CA -1.822 60.298 62.100 0.034 0.000 0.989 774 T CB 1.501 70.378 68.868 0.015 0.000 1.058 774 T HN 0.244 nan 8.240 nan 0.000 0.529 775 P HA -0.106 nan 4.420 nan 0.000 0.218 775 P C 1.282 178.609 177.300 0.046 0.000 1.149 775 P CA 1.154 64.316 63.100 0.103 0.000 0.817 775 P CB 0.188 31.957 31.700 0.115 0.000 0.785 776 E N 1.015 121.233 120.200 0.031 0.000 2.051 776 E HA -0.182 4.169 4.350 0.001 0.000 0.192 776 E C 2.282 178.920 176.600 0.064 0.000 0.991 776 E CA 1.431 57.861 56.400 0.051 0.000 0.799 776 E CB -0.578 29.142 29.700 0.033 0.000 0.748 776 E HN 0.074 nan 8.360 nan 0.000 0.449 777 R N -0.132 120.386 120.500 0.030 0.000 2.096 777 R HA -0.023 4.317 4.340 0.001 0.000 0.235 777 R C 2.536 178.828 176.300 -0.012 0.000 1.127 777 R CA 1.477 57.581 56.100 0.008 0.000 0.968 777 R CB -0.348 29.959 30.300 0.012 0.000 0.861 777 R HN 0.333 nan 8.270 nan 0.000 0.440 778 I N -0.083 120.493 120.570 0.009 0.000 2.286 778 I HA -0.251 3.920 4.170 0.001 0.000 0.245 778 I C 2.200 178.249 176.117 -0.114 0.000 1.104 778 I CA 0.940 62.249 61.300 0.016 0.000 1.397 778 I CB -0.277 37.802 38.000 0.131 0.000 1.072 778 I HN 0.069 nan 8.210 nan 0.000 0.417 779 F N 2.150 121.812 119.950 -0.479 0.000 2.095 779 F HA -0.248 4.280 4.527 0.001 0.000 0.298 779 F C 2.546 178.134 175.800 -0.353 0.000 1.104 779 F CA 1.675 59.189 58.000 -0.810 0.000 1.232 779 F CB -0.325 38.190 39.000 -0.807 0.000 0.987 779 F HN -0.187 nan 8.300 nan 0.000 0.475 780 R N 0.866 121.148 120.500 -0.364 0.000 2.073 780 R HA -0.121 4.220 4.340 0.001 0.000 0.234 780 R C 2.800 178.930 176.300 -0.283 0.000 1.134 780 R CA 1.712 57.590 56.100 -0.370 0.000 0.952 780 R CB -0.983 29.231 30.300 -0.143 0.000 0.850 780 R HN 0.529 nan 8.270 nan 0.000 0.433 781 S N -0.079 115.511 115.700 -0.183 0.000 2.359 781 S HA -0.146 4.324 4.470 0.001 0.000 0.224 781 S C 2.060 176.574 174.600 -0.143 0.000 1.035 781 S CA 1.461 59.582 58.200 -0.133 0.000 1.018 781 S CB -0.544 62.609 63.200 -0.079 0.000 0.876 781 S HN 0.303 nan 8.310 nan 0.000 0.448 782 I N 2.502 122.984 120.570 -0.147 0.000 2.439 782 I HA -0.185 3.986 4.170 0.001 0.000 0.251 782 I C 3.026 179.054 176.117 -0.149 0.000 1.139 782 I CA 1.544 62.784 61.300 -0.099 0.000 1.438 782 I CB -0.487 37.535 38.000 0.037 0.000 1.085 782 I HN 0.565 nan 8.210 nan 0.000 0.427 783 Q N 1.564 121.188 119.800 -0.292 0.000 2.167 783 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 783 Q C 1.279 177.162 176.000 -0.195 0.000 0.970 783 Q CA 1.476 57.100 55.803 -0.299 0.000 0.855 783 Q CB -0.156 28.250 28.738 -0.554 0.000 0.911 783 Q HN 0.511 nan 8.270 nan 0.000 0.438 784 E N 1.279 121.368 120.200 -0.185 0.000 2.437 784 E HA 0.045 4.395 4.350 0.001 0.000 0.189 784 E C -0.353 176.185 176.600 -0.103 0.000 1.054 784 E CA -0.386 55.937 56.400 -0.130 0.000 0.874 784 E CB 0.172 29.797 29.700 -0.126 0.000 1.011 784 E HN 0.374 nan 8.360 nan 0.000 0.474 785 R N 1.965 122.404 120.500 -0.102 0.000 2.734 785 R HA 0.154 4.494 4.340 0.001 0.000 0.266 785 R C -1.872 174.386 176.300 -0.070 0.000 1.044 785 R CA -1.037 55.009 56.100 -0.089 0.000 1.128 785 R CB -0.526 29.719 30.300 -0.093 0.000 1.010 785 R HN -0.186 nan 8.270 nan 0.000 0.461 786 P HA 0.000 nan 4.420 nan 0.000 0.216 786 P CA 0.000 63.071 63.100 -0.048 0.000 0.800 786 P CB 0.000 31.674 31.700 -0.044 0.000 0.726