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 1ksi_1_A DATA FIRST_RESID 6 DATA SEQUENCE VQHPLDPLTK EEFLAVQTIV QNKYPISNNR LAFHYIGLDD PEKDHVLRYE DATA SEQUENCE THPTLVSIPR KIFVVAIINS QTHEILINLR IRSIVSDNIH NGYGFPILSV DATA SEQUENCE DEQSLAIKLP LKYPPFIDSV KKRGLNLSEI VcSSFTMGWF GEEKNVRTVR DATA SEQUENCE LDcFMKESTV NIYVRPITGI TIVADLDLMK IVEYHDRDIE AVPTAENTEY DATA SEQUENCE QVSKQSPPFG PKQHSLTSHQ PQGPGFQING HSVSWANWKF HIGFDVRAGI DATA SEQUENCE VISLASIYDL EKHKSRRVLY KGYISELFVP YQDPTEEFYF KTFFDSGEFG DATA SEQUENCE FGLSTVSLIP NRDcPPHAQF IDTYVHSANG TPILLKNAIc VFEQYGNIMW DATA SEQUENCE RHTENGIPNE SIEESRTEVN LIVRTIVTVG NXDNVIDWEF KASGSIKPSI DATA SEQUENCE ALSGILEIKG TNIKHKDEIK EDLHGKLVSA NSIGIYHDHF YIYYLDFDID DATA SEQUENCE GTHNSFEKTS LKTVRIKDGS SKRKSYWTTE TQTAKTESDA KITIGLAPAE DATA SEQUENCE LVVVNPNIKT AVGNEVGYRL IPAIPAHPLL TEDDYPQIRG AFTNYNVWVT DATA SEQUENCE AYNRTEKWAG GLYVDHSRGD DTLAVWTKQN REIVNKDIVM WHVVGIHHVP DATA SEQUENCE AQEDFPIMPL LSTSFELRPT NFFERNPVLK TLSPRDVAWP GC 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 176.138 176.094 0.073 0.000 1.182 6 V CA 0.000 62.327 62.300 0.046 0.000 1.235 6 V CB 0.000 31.832 31.823 0.015 0.000 1.184 7 Q N 1.063 120.940 119.800 0.129 0.000 2.079 7 Q HA 0.014 4.352 4.340 -0.003 0.000 0.200 7 Q C 0.564 176.681 176.000 0.194 0.000 0.974 7 Q CA 1.833 57.734 55.803 0.163 0.000 0.840 7 Q CB 0.115 28.975 28.738 0.203 0.000 0.898 7 Q HN 0.836 nan 8.270 nan 0.000 0.430 8 H N -1.036 118.076 119.070 0.070 0.000 2.717 8 H HA 0.128 4.682 4.556 -0.003 0.000 0.366 8 H C -2.145 173.096 175.328 -0.145 0.000 1.132 8 H CA -2.242 53.800 56.048 -0.010 0.000 1.180 8 H CB 2.307 32.114 29.762 0.076 0.000 1.678 8 H HN -0.215 nan 8.280 nan 0.000 0.537 9 P HA -0.091 nan 4.420 nan 0.000 0.222 9 P C 1.072 178.255 177.300 -0.194 0.000 1.142 9 P CA 1.051 63.895 63.100 -0.427 0.000 0.788 9 P CB 0.310 31.623 31.700 -0.645 0.000 0.767 10 L N -2.131 119.082 121.223 -0.016 0.000 2.766 10 L HA 0.200 4.539 4.340 -0.003 0.000 0.242 10 L C 0.313 177.177 176.870 -0.010 0.000 1.136 10 L CA -0.328 54.453 54.840 -0.098 0.000 0.933 10 L CB -0.174 41.686 42.059 -0.332 0.000 1.241 10 L HN -0.170 nan 8.230 nan 0.000 0.522 11 D N 2.548 123.009 120.400 0.102 0.000 2.449 11 D HA 0.080 4.719 4.640 -0.003 0.000 0.236 11 D C -1.991 174.287 176.300 -0.036 0.000 1.149 11 D CA -0.926 53.122 54.000 0.080 0.000 0.878 11 D CB 0.589 41.417 40.800 0.046 0.000 1.198 11 D HN -0.016 nan 8.370 nan 0.000 0.446 12 P HA 0.019 nan 4.420 nan 0.000 0.269 12 P C 0.026 177.302 177.300 -0.040 0.000 1.209 12 P CA -0.297 62.790 63.100 -0.022 0.000 0.776 12 P CB 0.492 32.225 31.700 0.056 0.000 0.876 13 L N 1.690 122.865 121.223 -0.079 0.000 2.601 13 L HA 0.011 4.350 4.340 -0.003 0.000 0.277 13 L C 1.570 178.356 176.870 -0.140 0.000 1.219 13 L CA 0.352 55.021 54.840 -0.284 0.000 0.915 13 L CB -0.762 40.811 42.059 -0.811 0.000 1.160 13 L HN 0.515 nan 8.230 nan 0.000 0.494 14 T N -0.432 114.037 114.554 -0.141 0.000 2.816 14 T HA 0.133 4.482 4.350 -0.003 0.000 0.282 14 T C 1.004 175.641 174.700 -0.106 0.000 0.993 14 T CA -0.733 61.349 62.100 -0.030 0.000 0.994 14 T CB 1.835 70.683 68.868 -0.034 0.000 1.025 14 T HN 0.659 nan 8.240 nan 0.000 0.529 15 K N 0.493 120.701 120.400 -0.321 0.000 1.987 15 K HA -0.228 4.091 4.320 -0.003 0.000 0.216 15 K C 2.175 178.684 176.600 -0.153 0.000 1.051 15 K CA 2.095 58.103 56.287 -0.464 0.000 0.942 15 K CB -0.426 31.631 32.500 -0.739 0.000 0.722 15 K HN 0.790 nan 8.250 nan 0.000 0.444 16 E N 0.240 120.358 120.200 -0.137 0.000 2.136 16 E HA -0.269 4.079 4.350 -0.003 0.000 0.208 16 E C 1.990 178.538 176.600 -0.087 0.000 1.035 16 E CA 2.093 58.442 56.400 -0.084 0.000 0.838 16 E CB -0.084 29.578 29.700 -0.064 0.000 0.748 16 E HN 0.456 nan 8.360 nan 0.000 0.459 17 E N -0.537 119.582 120.200 -0.136 0.000 2.152 17 E HA -0.141 4.207 4.350 -0.003 0.000 0.192 17 E C 1.892 178.365 176.600 -0.211 0.000 0.983 17 E CA 0.569 56.854 56.400 -0.192 0.000 0.818 17 E CB -0.108 29.421 29.700 -0.284 0.000 0.758 17 E HN 0.178 nan 8.360 nan 0.000 0.467 18 F N 1.056 120.924 119.950 -0.136 0.000 2.095 18 F HA -0.187 4.338 4.527 -0.003 0.000 0.298 18 F C 2.090 177.778 175.800 -0.186 0.000 1.104 18 F CA 1.100 59.001 58.000 -0.165 0.000 1.232 18 F CB -0.503 38.405 39.000 -0.152 0.000 0.987 18 F HN -0.016 nan 8.300 nan 0.000 0.475 19 L N -0.677 120.565 121.223 0.032 0.000 2.012 19 L HA -0.248 4.090 4.340 -0.003 0.000 0.210 19 L C 2.727 179.576 176.870 -0.036 0.000 1.073 19 L CA 1.328 56.154 54.840 -0.023 0.000 0.748 19 L CB -1.244 40.798 42.059 -0.029 0.000 0.891 19 L HN 0.130 nan 8.230 nan 0.000 0.431 20 A N -0.311 122.484 122.820 -0.041 0.000 1.948 20 A HA -0.173 4.146 4.320 -0.003 0.000 0.220 20 A C 2.318 179.885 177.584 -0.029 0.000 1.177 20 A CA 2.036 54.053 52.037 -0.034 0.000 0.636 20 A CB -0.868 18.106 19.000 -0.042 0.000 0.815 20 A HN 0.239 nan 8.150 nan 0.000 0.449 21 V N -0.381 119.499 119.914 -0.056 0.000 2.453 21 V HA -0.260 3.858 4.120 -0.003 0.000 0.247 21 V C 2.623 178.692 176.094 -0.042 0.000 1.048 21 V CA 2.110 64.380 62.300 -0.051 0.000 1.049 21 V CB -0.706 31.053 31.823 -0.105 0.000 0.672 21 V HN 0.730 nan 8.190 nan 0.000 0.457 22 Q N -0.120 119.614 119.800 -0.110 0.000 1.990 22 Q HA -0.204 4.134 4.340 -0.003 0.000 0.200 22 Q C 2.361 178.401 176.000 0.067 0.000 0.980 22 Q CA 2.383 58.130 55.803 -0.093 0.000 0.832 22 Q CB -0.250 28.412 28.738 -0.128 0.000 0.897 22 Q HN 0.628 nan 8.270 nan 0.000 0.427 23 T N 1.650 116.221 114.554 0.028 0.000 2.597 23 T HA -0.221 4.128 4.350 -0.003 0.000 0.267 23 T C 1.840 176.574 174.700 0.057 0.000 1.053 23 T CA 1.856 63.980 62.100 0.039 0.000 1.165 23 T CB -0.417 68.460 68.868 0.015 0.000 0.863 23 T HN 0.294 nan 8.240 nan 0.000 0.427 24 I N 0.555 121.155 120.570 0.050 0.000 2.194 24 I HA -0.179 3.989 4.170 -0.003 0.000 0.246 24 I C 2.451 178.626 176.117 0.097 0.000 1.093 24 I CA 1.085 62.420 61.300 0.057 0.000 1.355 24 I CB -0.425 37.603 38.000 0.046 0.000 1.046 24 I HN 0.121 nan 8.210 nan 0.000 0.413 25 V N -0.001 120.011 119.914 0.163 0.000 2.407 25 V HA -0.222 3.896 4.120 -0.003 0.000 0.245 25 V C 2.303 178.527 176.094 0.216 0.000 1.041 25 V CA 1.543 63.981 62.300 0.231 0.000 1.040 25 V CB -0.496 31.533 31.823 0.343 0.000 0.671 25 V HN 0.441 nan 8.190 nan 0.000 0.455 26 Q N -0.111 119.802 119.800 0.189 0.000 2.291 26 Q HA -0.159 4.179 4.340 -0.003 0.000 0.205 26 Q C 1.938 177.985 176.000 0.078 0.000 0.970 26 Q CA 1.360 57.247 55.803 0.140 0.000 0.876 26 Q CB -0.258 28.557 28.738 0.128 0.000 0.935 26 Q HN 0.726 nan 8.270 nan 0.000 0.455 27 N N 0.458 119.190 118.700 0.054 0.000 2.381 27 N HA -0.153 4.585 4.740 -0.003 0.000 0.182 27 N C 1.629 177.109 175.510 -0.050 0.000 1.025 27 N CA 0.781 53.835 53.050 0.006 0.000 0.888 27 N CB 0.079 38.568 38.487 0.003 0.000 0.965 27 N HN 0.099 nan 8.380 nan 0.000 0.438 28 K N -0.069 120.282 120.400 -0.083 0.000 2.348 28 K HA 0.031 4.349 4.320 -0.003 0.000 0.194 28 K C -0.537 175.711 176.600 -0.587 0.000 1.052 28 K CA 0.373 56.465 56.287 -0.325 0.000 1.004 28 K CB 0.464 32.757 32.500 -0.346 0.000 0.873 28 K HN 0.065 nan 8.250 nan 0.000 0.523 29 Y N 1.670 121.944 120.300 -0.045 0.000 2.662 29 Y HA 0.374 4.922 4.550 -0.003 0.000 0.358 29 Y C -2.568 173.306 175.900 -0.044 0.000 1.041 29 Y CA -3.006 55.054 58.100 -0.066 0.000 1.184 29 Y CB 0.929 39.311 38.460 -0.129 0.000 1.114 29 Y HN 0.021 nan 8.280 nan 0.000 0.650 30 P HA -0.004 nan 4.420 nan 0.000 0.264 30 P C 1.066 178.396 177.300 0.049 0.000 1.183 30 P CA 0.371 63.496 63.100 0.042 0.000 0.763 30 P CB 0.774 32.481 31.700 0.013 0.000 0.807 31 I N 0.848 121.443 120.570 0.042 0.000 2.676 31 I HA -0.169 3.999 4.170 -0.003 0.000 0.259 31 I C 1.685 177.815 176.117 0.022 0.000 1.194 31 I CA 1.364 62.683 61.300 0.032 0.000 1.473 31 I CB -0.950 37.069 38.000 0.033 0.000 1.096 31 I HN 0.221 nan 8.210 nan 0.000 0.443 32 S N 1.327 117.039 115.700 0.020 0.000 2.428 32 S HA -0.058 4.410 4.470 -0.003 0.000 0.230 32 S C 1.359 175.967 174.600 0.013 0.000 1.014 32 S CA 1.242 59.450 58.200 0.014 0.000 0.957 32 S CB -0.741 62.466 63.200 0.011 0.000 0.784 32 S HN 0.580 nan 8.310 nan 0.000 0.499 33 N N 1.420 120.131 118.700 0.018 0.000 2.205 33 N HA 0.294 5.032 4.740 -0.003 0.000 0.201 33 N C -0.618 174.910 175.510 0.029 0.000 1.128 33 N CA -0.126 52.936 53.050 0.020 0.000 0.867 33 N CB 0.342 38.839 38.487 0.016 0.000 0.996 33 N HN 0.346 nan 8.380 nan 0.000 0.503 34 N N 0.201 118.918 118.700 0.028 0.000 2.396 34 N HA 0.256 4.994 4.740 -0.003 0.000 0.275 34 N C -1.170 174.333 175.510 -0.012 0.000 1.218 34 N CA -0.577 52.486 53.050 0.022 0.000 0.812 34 N CB 2.041 40.564 38.487 0.061 0.000 1.592 34 N HN -0.090 nan 8.380 nan 0.000 0.480 35 R N 1.157 121.638 120.500 -0.033 0.000 2.196 35 R HA 0.333 4.671 4.340 -0.003 0.000 0.340 35 R C -0.744 175.495 176.300 -0.103 0.000 1.043 35 R CA -0.517 55.554 56.100 -0.049 0.000 0.883 35 R CB 0.432 30.709 30.300 -0.039 0.000 1.078 35 R HN 0.319 nan 8.270 nan 0.000 0.462 36 L N 2.876 124.030 121.223 -0.114 0.000 2.325 36 L HA 0.639 4.977 4.340 -0.003 0.000 0.281 36 L C -1.189 175.550 176.870 -0.219 0.000 1.004 36 L CA -0.275 54.430 54.840 -0.224 0.000 0.823 36 L CB 1.746 43.663 42.059 -0.237 0.000 1.236 36 L HN 0.655 nan 8.230 nan 0.000 0.415 37 A N 4.628 127.302 122.820 -0.243 0.000 2.356 37 A HA 0.700 5.018 4.320 -0.003 0.000 0.310 37 A C -1.323 176.121 177.584 -0.232 0.000 1.075 37 A CA -0.383 51.558 52.037 -0.161 0.000 0.746 37 A CB 0.521 19.500 19.000 -0.034 0.000 1.221 37 A HN 0.547 nan 8.150 nan 0.000 0.443 38 F N 2.713 122.591 119.950 -0.120 0.000 2.413 38 F HA 0.263 4.789 4.527 -0.003 0.000 0.359 38 F C 1.528 177.240 175.800 -0.147 0.000 1.122 38 F CA 0.190 58.106 58.000 -0.139 0.000 1.160 38 F CB 0.663 39.502 39.000 -0.269 0.000 1.146 38 F HN 0.732 nan 8.300 nan 0.000 0.514 39 H N 2.498 121.685 119.070 0.195 0.000 2.497 39 H HA 0.002 4.557 4.556 -0.003 0.000 0.282 39 H C -0.627 174.917 175.328 0.361 0.000 1.003 39 H CA 0.898 57.089 56.048 0.238 0.000 1.307 39 H CB 0.611 30.466 29.762 0.156 0.000 1.437 39 H HN 0.559 nan 8.280 nan 0.000 0.544 40 Y N 0.419 120.884 120.300 0.275 0.000 2.358 40 Y HA 0.348 4.897 4.550 -0.003 0.000 0.324 40 Y C -1.836 174.189 175.900 0.208 0.000 1.123 40 Y CA -0.810 57.460 58.100 0.285 0.000 1.067 40 Y CB 0.746 39.297 38.460 0.151 0.000 1.230 40 Y HN -0.161 nan 8.280 nan 0.000 0.429 41 I N 6.689 127.144 120.570 -0.192 0.000 2.411 41 I HA 0.772 4.940 4.170 -0.003 0.000 0.284 41 I C 0.163 175.978 176.117 -0.503 0.000 1.012 41 I CA -0.585 60.552 61.300 -0.273 0.000 1.119 41 I CB 1.517 39.447 38.000 -0.118 0.000 1.261 41 I HN 0.804 nan 8.210 nan 0.000 0.448 42 G N 4.989 113.442 108.800 -0.578 0.000 2.708 42 G HA2 0.567 4.525 3.960 -0.003 0.000 0.289 42 G HA3 0.567 4.525 3.960 -0.003 0.000 0.289 42 G C -1.593 173.344 174.900 0.062 0.000 1.416 42 G CA -0.887 44.048 45.100 -0.275 0.000 0.829 42 G HN 0.326 nan 8.290 nan 0.000 0.480 43 L N 0.653 121.917 121.223 0.068 0.000 2.490 43 L HA 0.322 4.660 4.340 -0.003 0.000 0.274 43 L C 0.044 176.987 176.870 0.122 0.000 1.201 43 L CA -0.145 54.731 54.840 0.060 0.000 0.869 43 L CB 0.806 42.873 42.059 0.014 0.000 1.123 43 L HN 0.561 nan 8.230 nan 0.000 0.484 44 D N 2.966 123.423 120.400 0.095 0.000 2.280 44 D HA 0.109 4.748 4.640 -0.003 0.000 0.243 44 D C -0.797 175.505 176.300 0.003 0.000 1.129 44 D CA -0.401 53.641 54.000 0.071 0.000 0.848 44 D CB 0.498 41.355 40.800 0.094 0.000 1.107 44 D HN 0.445 nan 8.370 nan 0.000 0.471 45 D N 5.424 125.808 120.400 -0.027 0.000 2.520 45 D HA 0.066 4.704 4.640 -0.003 0.000 0.243 45 D C -1.822 174.460 176.300 -0.030 0.000 1.160 45 D CA -0.677 53.306 54.000 -0.028 0.000 0.877 45 D CB 0.568 41.344 40.800 -0.041 0.000 1.150 45 D HN 0.391 nan 8.370 nan 0.000 0.494 46 P HA 0.022 nan 4.420 nan 0.000 0.269 46 P C -0.200 177.066 177.300 -0.057 0.000 1.217 46 P CA -0.128 62.938 63.100 -0.057 0.000 0.783 46 P CB 0.690 32.356 31.700 -0.057 0.000 0.898 47 E N 0.608 120.703 120.200 -0.174 0.000 2.344 47 E HA -0.028 4.320 4.350 -0.003 0.000 0.270 47 E C 1.375 177.943 176.600 -0.053 0.000 1.021 47 E CA -0.077 56.215 56.400 -0.181 0.000 0.887 47 E CB 0.386 29.808 29.700 -0.462 0.000 0.997 47 E HN 0.344 nan 8.360 nan 0.000 0.429 48 K N 3.220 123.599 120.400 -0.035 0.000 2.089 48 K HA -0.261 4.058 4.320 -0.003 0.000 0.210 48 K C 0.697 177.287 176.600 -0.017 0.000 1.048 48 K CA 2.064 58.276 56.287 -0.125 0.000 0.926 48 K CB 0.114 32.320 32.500 -0.490 0.000 0.714 48 K HN 0.518 nan 8.250 nan 0.000 0.448 49 D N -0.500 119.935 120.400 0.059 0.000 2.178 49 D HA -0.142 4.497 4.640 -0.003 0.000 0.202 49 D C 1.792 178.238 176.300 0.244 0.000 0.974 49 D CA 1.108 55.190 54.000 0.138 0.000 0.841 49 D CB -0.493 40.410 40.800 0.172 0.000 0.953 49 D HN 0.414 nan 8.370 nan 0.000 0.478 50 H N 0.283 119.380 119.070 0.045 0.000 2.395 50 H HA 0.026 4.581 4.556 -0.003 0.000 0.299 50 H C 2.338 177.732 175.328 0.109 0.000 1.070 50 H CA 0.431 56.521 56.048 0.070 0.000 1.356 50 H CB -0.495 29.293 29.762 0.042 0.000 1.401 50 H HN -0.004 nan 8.280 nan 0.000 0.524 51 V N 0.764 120.821 119.914 0.237 0.000 2.358 51 V HA -0.197 3.921 4.120 -0.003 0.000 0.246 51 V C 2.510 178.767 176.094 0.272 0.000 1.047 51 V CA 1.399 63.832 62.300 0.222 0.000 1.035 51 V CB -0.714 31.257 31.823 0.248 0.000 0.658 51 V HN 0.275 nan 8.190 nan 0.000 0.452 52 L N -0.496 120.855 121.223 0.213 0.000 2.046 52 L HA -0.199 4.139 4.340 -0.003 0.000 0.208 52 L C 2.768 179.716 176.870 0.131 0.000 1.077 52 L CA 1.790 56.731 54.840 0.167 0.000 0.747 52 L CB -0.619 41.499 42.059 0.097 0.000 0.896 52 L HN 0.205 nan 8.230 nan 0.000 0.432 53 R N -0.961 119.621 120.500 0.136 0.000 2.081 53 R HA -0.232 4.106 4.340 -0.003 0.000 0.235 53 R C 2.407 178.777 176.300 0.118 0.000 1.131 53 R CA 1.782 57.956 56.100 0.123 0.000 0.960 53 R CB -0.427 29.945 30.300 0.119 0.000 0.856 53 R HN 0.278 nan 8.270 nan 0.000 0.436 54 Y N 1.686 122.021 120.300 0.058 0.000 2.070 54 Y HA -0.261 4.287 4.550 -0.003 0.000 0.280 54 Y C 2.058 177.969 175.900 0.018 0.000 1.148 54 Y CA 1.768 59.892 58.100 0.039 0.000 1.125 54 Y CB -0.176 38.287 38.460 0.005 0.000 0.975 54 Y HN 0.040 nan 8.280 nan 0.000 0.492 55 E N -0.573 119.639 120.200 0.019 0.000 2.171 55 E HA -0.237 4.112 4.350 -0.003 0.000 0.197 55 E C 2.214 178.715 176.600 -0.165 0.000 0.997 55 E CA 2.024 58.407 56.400 -0.028 0.000 0.810 55 E CB -0.447 29.344 29.700 0.151 0.000 0.738 55 E HN 0.691 nan 8.360 nan 0.000 0.467 56 T N -1.848 112.561 114.554 -0.240 0.000 3.043 56 T HA -0.071 4.277 4.350 -0.003 0.000 0.263 56 T C 0.845 175.153 174.700 -0.653 0.000 1.094 56 T CA 0.499 62.327 62.100 -0.452 0.000 1.127 56 T CB 0.105 68.647 68.868 -0.543 0.000 0.905 56 T HN 0.082 nan 8.240 nan 0.000 0.490 57 H N 0.324 119.302 119.070 -0.154 0.000 2.597 57 H HA 0.303 4.857 4.556 -0.003 0.000 0.225 57 H C -2.488 172.683 175.328 -0.263 0.000 1.422 57 H CA -1.705 54.250 56.048 -0.155 0.000 1.335 57 H CB 1.114 30.829 29.762 -0.078 0.000 1.783 57 H HN 0.267 nan 8.280 nan 0.000 0.513 58 P HA -0.172 nan 4.420 nan 0.000 0.214 58 P C 1.862 179.085 177.300 -0.130 0.000 1.163 58 P CA 2.199 64.913 63.100 -0.642 0.000 0.889 58 P CB 0.012 31.413 31.700 -0.497 0.000 0.790 59 T N -3.239 111.278 114.554 -0.062 0.000 2.996 59 T HA -0.084 4.265 4.350 -0.003 0.000 0.271 59 T C 0.948 175.662 174.700 0.023 0.000 1.126 59 T CA 1.097 63.201 62.100 0.006 0.000 1.103 59 T CB -0.856 68.015 68.868 0.005 0.000 0.870 59 T HN 0.027 nan 8.240 nan 0.000 0.528 60 L N -0.085 121.154 121.223 0.025 0.000 3.429 60 L HA 0.470 4.809 4.340 -0.003 0.000 0.311 60 L C -0.700 176.200 176.870 0.050 0.000 1.274 60 L CA -0.338 54.516 54.840 0.023 0.000 1.037 60 L CB 1.248 43.294 42.059 -0.021 0.000 1.433 60 L HN -0.008 nan 8.230 nan 0.000 0.614 61 V N -0.128 119.852 119.914 0.109 0.000 2.588 61 V HA 0.710 4.828 4.120 -0.003 0.000 0.304 61 V C -0.119 176.113 176.094 0.229 0.000 1.042 61 V CA -0.539 61.869 62.300 0.179 0.000 0.877 61 V CB 1.992 33.969 31.823 0.256 0.000 0.996 61 V HN 0.268 nan 8.190 nan 0.000 0.425 62 S N 4.994 120.774 115.700 0.134 0.000 2.605 62 S HA 0.828 5.296 4.470 -0.003 0.000 0.308 62 S C -1.031 173.605 174.600 0.060 0.000 1.113 62 S CA -0.584 57.669 58.200 0.088 0.000 1.049 62 S CB 1.189 64.424 63.200 0.059 0.000 1.001 62 S HN 0.507 nan 8.310 nan 0.000 0.480 63 I N 4.290 124.860 120.570 0.000 0.000 2.433 63 I HA 0.466 4.634 4.170 -0.003 0.000 0.292 63 I C -2.138 173.958 176.117 -0.035 0.000 1.001 63 I CA -2.156 59.135 61.300 -0.015 0.000 1.119 63 I CB 2.213 40.158 38.000 -0.092 0.000 1.289 63 I HN 0.549 nan 8.210 nan 0.000 0.438 64 P HA 0.303 nan 4.420 nan 0.000 0.284 64 P C -0.845 176.436 177.300 -0.033 0.000 1.253 64 P CA -0.738 62.352 63.100 -0.016 0.000 0.800 64 P CB 1.050 32.752 31.700 0.003 0.000 0.961 65 R N 2.530 123.007 120.500 -0.038 0.000 2.296 65 R HA 0.216 4.554 4.340 -0.003 0.000 0.323 65 R C -0.050 176.234 176.300 -0.027 0.000 1.067 65 R CA 0.297 56.370 56.100 -0.046 0.000 0.946 65 R CB 0.020 30.286 30.300 -0.057 0.000 0.991 65 R HN 0.344 nan 8.270 nan 0.000 0.448 66 K N 4.865 125.257 120.400 -0.014 0.000 2.270 66 K HA 0.443 4.761 4.320 -0.003 0.000 0.255 66 K C -0.767 175.854 176.600 0.035 0.000 0.936 66 K CA -0.930 55.366 56.287 0.015 0.000 0.809 66 K CB 1.739 34.255 32.500 0.026 0.000 1.131 66 K HN 0.308 nan 8.250 nan 0.000 0.427 67 I N 2.707 123.312 120.570 0.058 0.000 2.441 67 I HA 0.344 4.512 4.170 -0.003 0.000 0.295 67 I C -0.596 175.646 176.117 0.207 0.000 0.994 67 I CA -0.961 60.390 61.300 0.085 0.000 1.144 67 I CB 0.923 38.925 38.000 0.004 0.000 1.314 67 I HN 0.544 nan 8.210 nan 0.000 0.445 68 F N 6.543 126.566 119.950 0.122 0.000 2.427 68 F HA 0.667 5.192 4.527 -0.003 0.000 0.346 68 F C -0.712 175.242 175.800 0.256 0.000 1.120 68 F CA -0.568 57.546 58.000 0.189 0.000 1.033 68 F CB 1.311 40.442 39.000 0.219 0.000 1.126 68 F HN 0.127 nan 8.300 nan 0.000 0.462 69 V N 6.563 126.322 119.914 -0.257 0.000 2.555 69 V HA 0.519 4.638 4.120 -0.003 0.000 0.302 69 V C -0.832 175.058 176.094 -0.340 0.000 1.038 69 V CA -0.901 61.325 62.300 -0.123 0.000 0.887 69 V CB 1.723 33.571 31.823 0.041 0.000 0.991 69 V HN 0.579 nan 8.190 nan 0.000 0.434 70 V N 3.765 123.637 119.914 -0.070 0.000 2.378 70 V HA 0.842 4.960 4.120 -0.003 0.000 0.288 70 V C 0.199 176.349 176.094 0.094 0.000 1.016 70 V CA -0.342 61.947 62.300 -0.018 0.000 0.840 70 V CB 1.389 33.264 31.823 0.088 0.000 0.994 70 V HN 1.020 nan 8.190 nan 0.000 0.431 71 A N 5.795 128.618 122.820 0.005 0.000 2.386 71 A HA 0.886 5.204 4.320 -0.003 0.000 0.311 71 A C -0.838 176.729 177.584 -0.029 0.000 1.068 71 A CA -0.602 51.380 52.037 -0.091 0.000 0.743 71 A CB 1.155 19.905 19.000 -0.416 0.000 1.258 71 A HN 0.760 nan 8.150 nan 0.000 0.429 72 I N 2.568 123.164 120.570 0.044 0.000 2.304 72 I HA 0.319 4.487 4.170 -0.003 0.000 0.291 72 I C -0.731 175.315 176.117 -0.118 0.000 1.018 72 I CA 0.042 61.337 61.300 -0.007 0.000 1.260 72 I CB 0.914 38.908 38.000 -0.010 0.000 1.390 72 I HN 0.463 nan 8.210 nan 0.000 0.475 73 I N 7.054 127.535 120.570 -0.148 0.000 2.411 73 I HA 0.267 4.435 4.170 -0.003 0.000 0.284 73 I C -0.335 175.702 176.117 -0.133 0.000 1.012 73 I CA -0.551 60.564 61.300 -0.308 0.000 1.119 73 I CB 1.072 38.590 38.000 -0.802 0.000 1.261 73 I HN 0.609 nan 8.210 nan 0.000 0.448 74 N N 4.144 122.789 118.700 -0.091 0.000 2.725 74 N HA -0.205 4.533 4.740 -0.003 0.000 0.251 74 N C 0.357 175.858 175.510 -0.014 0.000 1.031 74 N CA 1.145 54.175 53.050 -0.034 0.000 0.720 74 N CB -1.036 37.447 38.487 -0.006 0.000 0.930 74 N HN 0.773 nan 8.380 nan 0.000 0.543 75 S N -2.016 113.670 115.700 -0.023 0.000 3.380 75 S HA -0.256 4.213 4.470 -0.003 0.000 0.300 75 S C 0.038 174.638 174.600 -0.000 0.000 1.255 75 S CA 1.330 59.520 58.200 -0.018 0.000 0.963 75 S CB -0.617 62.569 63.200 -0.022 0.000 1.106 75 S HN 0.681 nan 8.310 nan 0.000 0.629 76 Q N 0.141 119.955 119.800 0.024 0.000 2.356 76 Q HA 0.394 4.733 4.340 -0.003 0.000 0.270 76 Q C -0.713 175.336 176.000 0.082 0.000 1.058 76 Q CA -0.452 55.363 55.803 0.021 0.000 0.802 76 Q CB 1.880 30.618 28.738 -0.000 0.000 1.303 76 Q HN 0.181 nan 8.270 nan 0.000 0.444 77 T N 2.958 117.517 114.554 0.009 0.000 2.737 77 T HA 0.213 4.561 4.350 -0.003 0.000 0.296 77 T C -0.542 174.156 174.700 -0.002 0.000 0.922 77 T CA -0.151 61.972 62.100 0.039 0.000 1.079 77 T CB -0.008 68.872 68.868 0.020 0.000 0.892 77 T HN 0.286 nan 8.240 nan 0.000 0.514 78 H N 2.524 121.557 119.070 -0.061 0.000 2.472 78 H HA 0.306 4.861 4.556 -0.003 0.000 0.338 78 H C -0.126 175.173 175.328 -0.048 0.000 1.133 78 H CA -0.595 55.419 56.048 -0.057 0.000 1.216 78 H CB 1.630 31.310 29.762 -0.136 0.000 1.497 78 H HN 0.599 nan 8.280 nan 0.000 0.500 79 E N 3.336 123.583 120.200 0.077 0.000 2.092 79 E HA 0.331 4.679 4.350 -0.003 0.000 0.271 79 E C -0.559 176.044 176.600 0.005 0.000 0.919 79 E CA -0.330 56.055 56.400 -0.024 0.000 0.760 79 E CB 1.551 31.369 29.700 0.196 0.000 1.106 79 E HN 0.348 nan 8.360 nan 0.000 0.408 80 I N 3.766 124.268 120.570 -0.113 0.000 2.406 80 I HA 0.230 4.398 4.170 -0.003 0.000 0.290 80 I C -0.963 175.181 176.117 0.045 0.000 0.999 80 I CA -0.965 60.346 61.300 0.018 0.000 1.124 80 I CB 1.328 39.347 38.000 0.032 0.000 1.289 80 I HN 0.302 nan 8.210 nan 0.000 0.441 81 L N 8.340 129.645 121.223 0.138 0.000 2.282 81 L HA 0.608 4.947 4.340 -0.003 0.000 0.288 81 L C -0.809 176.128 176.870 0.112 0.000 1.033 81 L CA 0.031 54.975 54.840 0.173 0.000 0.807 81 L CB 0.942 43.121 42.059 0.199 0.000 1.209 81 L HN 0.400 nan 8.230 nan 0.000 0.423 82 I N 4.694 125.321 120.570 0.095 0.000 2.474 82 I HA 0.362 4.531 4.170 -0.003 0.000 0.294 82 I C -0.382 175.763 176.117 0.046 0.000 1.005 82 I CA -0.632 60.706 61.300 0.063 0.000 1.113 82 I CB 1.736 39.766 38.000 0.050 0.000 1.289 82 I HN 0.563 nan 8.210 nan 0.000 0.436 83 N N 6.795 125.515 118.700 0.034 0.000 2.527 83 N HA 0.276 5.015 4.740 -0.003 0.000 0.236 83 N C 0.402 175.917 175.510 0.009 0.000 0.999 83 N CA -0.221 52.841 53.050 0.020 0.000 0.935 83 N CB 1.089 39.588 38.487 0.022 0.000 1.132 83 N HN 0.623 nan 8.380 nan 0.000 0.511 84 L N 2.440 123.660 121.223 -0.004 0.000 2.549 84 L HA 0.031 4.369 4.340 -0.003 0.000 0.229 84 L C 2.384 179.248 176.870 -0.010 0.000 1.158 84 L CA 0.384 55.217 54.840 -0.013 0.000 0.842 84 L CB -0.115 41.924 42.059 -0.032 0.000 0.952 84 L HN 0.495 nan 8.230 nan 0.000 0.452 85 R N 1.488 121.985 120.500 -0.005 0.000 2.075 85 R HA -0.111 4.227 4.340 -0.003 0.000 0.232 85 R C 1.968 178.269 176.300 0.002 0.000 1.126 85 R CA 1.468 57.567 56.100 -0.002 0.000 0.963 85 R CB -0.053 30.248 30.300 0.002 0.000 0.858 85 R HN 0.500 nan 8.270 nan 0.000 0.435 86 I N -1.852 118.721 120.570 0.006 0.000 3.904 86 I HA 0.207 4.375 4.170 -0.003 0.000 0.333 86 I C -0.552 175.569 176.117 0.007 0.000 1.361 86 I CA -0.246 61.058 61.300 0.007 0.000 1.116 86 I CB 0.192 38.198 38.000 0.010 0.000 1.028 86 I HN 0.060 nan 8.210 nan 0.000 0.398 87 R N 1.858 122.361 120.500 0.005 0.000 3.225 87 R HA -0.176 4.162 4.340 -0.003 0.000 0.245 87 R C -0.159 176.148 176.300 0.011 0.000 0.928 87 R CA 0.875 56.978 56.100 0.005 0.000 0.632 87 R CB -1.889 28.412 30.300 0.002 0.000 1.038 87 R HN 0.744 nan 8.270 nan 0.000 0.461 88 S N -0.092 115.619 115.700 0.017 0.000 2.536 88 S HA 0.544 5.012 4.470 -0.003 0.000 0.271 88 S C 0.130 174.751 174.600 0.035 0.000 1.134 88 S CA -1.030 57.184 58.200 0.023 0.000 0.897 88 S CB 1.699 64.910 63.200 0.019 0.000 1.094 88 S HN 0.278 nan 8.310 nan 0.000 0.473 89 I N 3.822 124.417 120.570 0.042 0.000 2.710 89 I HA 0.065 4.233 4.170 -0.003 0.000 0.286 89 I C 1.362 177.512 176.117 0.054 0.000 1.181 89 I CA 0.030 61.365 61.300 0.059 0.000 1.430 89 I CB 1.188 39.231 38.000 0.072 0.000 1.367 89 I HN 0.704 nan 8.210 nan 0.000 0.577 90 V N 1.547 121.499 119.914 0.062 0.000 3.604 90 V HA 0.299 4.417 4.120 -0.003 0.000 0.277 90 V C 0.362 176.494 176.094 0.064 0.000 1.399 90 V CA 0.142 62.475 62.300 0.055 0.000 1.034 90 V CB 0.454 32.307 31.823 0.051 0.000 0.824 90 V HN 0.716 nan 8.190 nan 0.000 0.439 91 S N 0.084 115.834 115.700 0.082 0.000 2.537 91 S HA 0.592 5.060 4.470 -0.003 0.000 0.271 91 S C -2.462 172.204 174.600 0.111 0.000 1.148 91 S CA -0.192 58.063 58.200 0.091 0.000 0.868 91 S CB 2.257 65.517 63.200 0.100 0.000 1.115 91 S HN 0.498 nan 8.310 nan 0.000 0.461 92 D N 2.184 122.652 120.400 0.113 0.000 2.470 92 D HA 0.444 5.082 4.640 -0.003 0.000 0.233 92 D C -1.468 174.905 176.300 0.122 0.000 1.372 92 D CA -0.123 53.969 54.000 0.152 0.000 0.994 92 D CB 0.974 41.896 40.800 0.204 0.000 1.377 92 D HN 0.569 nan 8.370 nan 0.000 0.586 93 N N 2.167 120.920 118.700 0.088 0.000 2.312 93 N HA 0.530 5.268 4.740 -0.003 0.000 0.296 93 N C -0.685 174.765 175.510 -0.101 0.000 1.193 93 N CA -0.628 52.428 53.050 0.011 0.000 0.773 93 N CB 1.759 40.279 38.487 0.054 0.000 1.435 93 N HN 0.278 nan 8.380 nan 0.000 0.484 94 I N 1.313 121.783 120.570 -0.168 0.000 2.331 94 I HA 0.098 4.266 4.170 -0.003 0.000 0.292 94 I C 0.305 176.339 176.117 -0.139 0.000 0.998 94 I CA -0.333 60.806 61.300 -0.268 0.000 1.267 94 I CB 0.741 38.557 38.000 -0.306 0.000 1.386 94 I HN 0.538 nan 8.210 nan 0.000 0.476 95 H N 7.329 126.265 119.070 -0.222 0.000 2.864 95 H HA 0.200 4.755 4.556 -0.003 0.000 0.281 95 H C -0.067 175.078 175.328 -0.306 0.000 1.093 95 H CA -0.026 55.867 56.048 -0.257 0.000 1.453 95 H CB 0.867 30.392 29.762 -0.394 0.000 1.462 95 H HN 0.507 nan 8.280 nan 0.000 0.480 96 N N 3.204 121.497 118.700 -0.679 0.000 2.299 96 N HA 0.036 4.774 4.740 -0.003 0.000 0.187 96 N C 0.955 175.976 175.510 -0.814 0.000 1.099 96 N CA 0.245 52.906 53.050 -0.648 0.000 0.867 96 N CB 0.823 39.096 38.487 -0.358 0.000 0.974 96 N HN 0.702 nan 8.380 nan 0.000 0.477 97 G N -0.441 107.776 108.800 -0.972 0.000 2.509 97 G HA2 0.274 4.233 3.960 -0.003 0.000 0.269 97 G HA3 0.274 4.233 3.960 -0.003 0.000 0.269 97 G C -0.529 173.878 174.900 -0.823 0.000 1.416 97 G CA -0.301 44.346 45.100 -0.755 0.000 1.052 97 G HN -0.024 nan 8.290 nan 0.000 0.542 98 Y N -0.152 119.981 120.300 -0.279 0.000 2.330 98 Y HA 0.445 4.993 4.550 -0.003 0.000 0.341 98 Y C 1.112 176.836 175.900 -0.293 0.000 1.278 98 Y CA 0.273 58.169 58.100 -0.340 0.000 1.453 98 Y CB 0.274 38.537 38.460 -0.328 0.000 1.342 98 Y HN 1.125 nan 8.280 nan 0.000 0.590 99 G N 0.484 109.112 108.800 -0.286 0.000 2.721 99 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.686 99 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.686 99 G C -1.354 173.218 174.900 -0.546 0.000 1.236 99 G CA -1.132 43.801 45.100 -0.279 0.000 0.786 99 G HN 0.413 nan 8.290 nan 0.000 0.616 100 F N 1.552 121.560 119.950 0.097 0.000 2.613 100 F HA 0.774 5.300 4.527 -0.003 0.000 0.342 100 F C -1.607 174.270 175.800 0.129 0.000 1.066 100 F CA -2.069 55.953 58.000 0.036 0.000 1.002 100 F CB 1.456 40.455 39.000 -0.003 0.000 1.319 100 F HN 0.422 nan 8.300 nan 0.000 0.495 101 P HA 0.205 nan 4.420 nan 0.000 0.277 101 P C -0.384 176.960 177.300 0.074 0.000 1.276 101 P CA -0.357 62.833 63.100 0.150 0.000 0.788 101 P CB 0.497 32.247 31.700 0.084 0.000 1.114 102 I N 0.337 120.954 120.570 0.079 0.000 2.741 102 I HA -0.074 4.094 4.170 -0.003 0.000 0.288 102 I C 0.958 177.184 176.117 0.182 0.000 1.192 102 I CA 0.207 61.549 61.300 0.069 0.000 1.426 102 I CB -0.498 37.564 38.000 0.104 0.000 1.367 102 I HN 0.091 nan 8.210 nan 0.000 0.563 103 L N 5.687 126.929 121.223 0.032 0.000 2.503 103 L HA 0.004 4.342 4.340 -0.003 0.000 0.287 103 L C 0.878 177.846 176.870 0.163 0.000 1.252 103 L CA 0.215 55.108 54.840 0.089 0.000 0.835 103 L CB -0.045 41.957 42.059 -0.094 0.000 1.099 103 L HN 0.753 nan 8.230 nan 0.000 0.516 104 S N 0.025 115.807 115.700 0.137 0.000 2.681 104 S HA 0.397 4.865 4.470 -0.003 0.000 0.299 104 S C 0.732 175.372 174.600 0.068 0.000 1.113 104 S CA -1.002 57.218 58.200 0.034 0.000 1.013 104 S CB 1.914 65.042 63.200 -0.120 0.000 1.076 104 S HN 0.294 nan 8.310 nan 0.000 0.534 105 V N 1.474 121.422 119.914 0.057 0.000 2.307 105 V HA -0.140 3.978 4.120 -0.003 0.000 0.245 105 V C 2.017 178.148 176.094 0.062 0.000 1.045 105 V CA 2.319 64.664 62.300 0.076 0.000 1.024 105 V CB -1.350 30.506 31.823 0.056 0.000 0.651 105 V HN 0.929 nan 8.190 nan 0.000 0.449 106 D N 0.558 120.981 120.400 0.038 0.000 2.127 106 D HA -0.285 4.353 4.640 -0.003 0.000 0.190 106 D C 2.144 178.465 176.300 0.034 0.000 1.000 106 D CA 1.915 55.933 54.000 0.030 0.000 0.839 106 D CB -0.296 40.514 40.800 0.017 0.000 0.955 106 D HN 0.769 nan 8.370 nan 0.000 0.446 107 E N 0.894 121.117 120.200 0.037 0.000 2.110 107 E HA -0.280 4.068 4.350 -0.003 0.000 0.193 107 E C 1.876 178.504 176.600 0.046 0.000 0.988 107 E CA 1.021 57.445 56.400 0.041 0.000 0.804 107 E CB -0.324 29.412 29.700 0.059 0.000 0.745 107 E HN 0.410 nan 8.360 nan 0.000 0.458 108 Q N 0.648 120.490 119.800 0.070 0.000 2.119 108 Q HA -0.052 4.286 4.340 -0.003 0.000 0.201 108 Q C 2.374 178.417 176.000 0.071 0.000 0.972 108 Q CA 1.529 57.385 55.803 0.088 0.000 0.847 108 Q CB 0.075 28.899 28.738 0.144 0.000 0.903 108 Q HN 0.265 nan 8.270 nan 0.000 0.433 109 S N 1.071 116.809 115.700 0.062 0.000 2.419 109 S HA -0.074 4.395 4.470 -0.003 0.000 0.233 109 S C 1.918 176.535 174.600 0.029 0.000 1.016 109 S CA 0.819 59.048 58.200 0.048 0.000 0.974 109 S CB -0.090 63.135 63.200 0.042 0.000 0.786 109 S HN 0.269 nan 8.310 nan 0.000 0.492 110 L N 0.959 122.195 121.223 0.022 0.000 2.068 110 L HA 0.006 4.345 4.340 -0.003 0.000 0.204 110 L C 2.854 179.720 176.870 -0.007 0.000 1.076 110 L CA 1.035 55.879 54.840 0.006 0.000 0.753 110 L CB -0.758 41.303 42.059 0.003 0.000 0.910 110 L HN 0.318 nan 8.230 nan 0.000 0.439 111 A N 1.151 123.969 122.820 -0.004 0.000 1.940 111 A HA -0.211 4.108 4.320 -0.003 0.000 0.219 111 A C 2.100 179.658 177.584 -0.044 0.000 1.176 111 A CA 1.926 53.946 52.037 -0.028 0.000 0.631 111 A CB -0.874 18.118 19.000 -0.014 0.000 0.814 111 A HN 0.592 nan 8.150 nan 0.000 0.446 112 I N -3.495 117.065 120.570 -0.016 0.000 3.444 112 I HA -0.031 4.138 4.170 -0.003 0.000 0.287 112 I C 1.406 177.494 176.117 -0.048 0.000 1.302 112 I CA 1.228 62.509 61.300 -0.032 0.000 1.368 112 I CB -0.078 37.933 38.000 0.019 0.000 1.048 112 I HN 0.109 nan 8.210 nan 0.000 0.487 113 K N 1.154 121.531 120.400 -0.038 0.000 2.323 113 K HA 0.223 4.542 4.320 -0.003 0.000 0.197 113 K C 1.891 178.457 176.600 -0.055 0.000 1.043 113 K CA 0.431 56.699 56.287 -0.032 0.000 0.997 113 K CB -0.028 32.467 32.500 -0.008 0.000 0.807 113 K HN 0.338 nan 8.250 nan 0.000 0.497 114 L N 1.323 122.497 121.223 -0.083 0.000 2.021 114 L HA -0.195 4.143 4.340 -0.003 0.000 0.215 114 L C -0.685 176.112 176.870 -0.122 0.000 1.074 114 L CA 1.765 56.544 54.840 -0.103 0.000 0.760 114 L CB -1.691 40.278 42.059 -0.150 0.000 0.889 114 L HN 0.090 nan 8.230 nan 0.000 0.433 115 P HA -0.114 nan 4.420 nan 0.000 0.221 115 P C 1.874 179.115 177.300 -0.098 0.000 1.150 115 P CA 1.090 63.958 63.100 -0.385 0.000 0.800 115 P CB 0.073 31.218 31.700 -0.924 0.000 0.787 116 L N -0.999 120.208 121.223 -0.027 0.000 2.362 116 L HA -0.095 4.243 4.340 -0.003 0.000 0.219 116 L C 1.513 178.462 176.870 0.131 0.000 1.134 116 L CA 1.447 56.361 54.840 0.122 0.000 0.807 116 L CB -0.576 41.528 42.059 0.075 0.000 0.927 116 L HN 0.008 nan 8.230 nan 0.000 0.447 117 K N -1.729 118.732 120.400 0.101 0.000 2.374 117 K HA 0.086 4.404 4.320 -0.003 0.000 0.202 117 K C -0.323 176.358 176.600 0.134 0.000 1.040 117 K CA -0.307 56.035 56.287 0.092 0.000 1.085 117 K CB 0.486 33.021 32.500 0.057 0.000 0.873 117 K HN -0.062 nan 8.250 nan 0.000 0.539 118 Y N 2.039 122.339 120.300 0.000 0.000 2.359 118 Y HA 0.139 4.687 4.550 -0.003 0.000 0.334 118 Y C -1.983 173.893 175.900 -0.039 0.000 1.058 118 Y CA -2.706 55.369 58.100 -0.043 0.000 1.244 118 Y CB 1.196 39.609 38.460 -0.079 0.000 1.187 118 Y HN -0.068 nan 8.280 nan 0.000 0.510 119 P HA -0.042 nan 4.420 nan 0.000 0.216 119 P C -1.548 175.551 177.300 -0.336 0.000 1.153 119 P CA 1.472 64.395 63.100 -0.296 0.000 0.844 119 P CB -0.461 31.069 31.700 -0.283 0.000 0.787 120 P HA -0.148 nan 4.420 nan 0.000 0.220 120 P C 1.367 178.455 177.300 -0.353 0.000 1.148 120 P CA 0.959 63.738 63.100 -0.534 0.000 0.803 120 P CB -0.452 30.709 31.700 -0.900 0.000 0.782 121 F N -0.054 119.694 119.950 -0.337 0.000 2.187 121 F HA 0.005 4.530 4.527 -0.003 0.000 0.295 121 F C 1.959 177.767 175.800 0.013 0.000 1.091 121 F CA 1.029 59.033 58.000 0.007 0.000 1.308 121 F CB -0.650 38.445 39.000 0.157 0.000 1.030 121 F HN -0.268 nan 8.300 nan 0.000 0.487 122 I N 0.239 120.795 120.570 -0.023 0.000 2.361 122 I HA -0.273 3.895 4.170 -0.003 0.000 0.251 122 I C 1.868 177.891 176.117 -0.157 0.000 1.133 122 I CA 1.261 62.498 61.300 -0.106 0.000 1.413 122 I CB -0.518 37.468 38.000 -0.024 0.000 1.073 122 I HN 0.102 nan 8.210 nan 0.000 0.424 123 D N 0.474 120.791 120.400 -0.137 0.000 2.084 123 D HA -0.131 4.508 4.640 -0.003 0.000 0.196 123 D C 2.377 178.604 176.300 -0.121 0.000 0.985 123 D CA 1.224 55.157 54.000 -0.113 0.000 0.826 123 D CB -0.271 40.471 40.800 -0.095 0.000 0.978 123 D HN 0.102 nan 8.370 nan 0.000 0.456 124 S N 0.120 115.748 115.700 -0.120 0.000 2.368 124 S HA -0.164 4.304 4.470 -0.003 0.000 0.226 124 S C 2.284 176.760 174.600 -0.207 0.000 1.044 124 S CA 0.947 59.083 58.200 -0.107 0.000 1.062 124 S CB -0.408 62.784 63.200 -0.013 0.000 0.931 124 S HN 0.073 nan 8.310 nan 0.000 0.440 125 V N 1.806 121.491 119.914 -0.381 0.000 2.332 125 V HA -0.196 3.922 4.120 -0.003 0.000 0.248 125 V C 2.413 178.403 176.094 -0.173 0.000 1.055 125 V CA 1.613 63.714 62.300 -0.332 0.000 1.038 125 V CB -0.483 31.059 31.823 -0.467 0.000 0.651 125 V HN 0.420 nan 8.190 nan 0.000 0.450 126 K N 0.193 120.508 120.400 -0.143 0.000 2.026 126 K HA -0.249 4.069 4.320 -0.003 0.000 0.208 126 K C 2.219 178.779 176.600 -0.067 0.000 1.048 126 K CA 1.768 58.002 56.287 -0.087 0.000 0.929 126 K CB -0.307 32.147 32.500 -0.077 0.000 0.713 126 K HN 0.406 nan 8.250 nan 0.000 0.439 127 K N 1.431 121.791 120.400 -0.067 0.000 2.218 127 K HA -0.176 4.143 4.320 -0.003 0.000 0.205 127 K C 1.798 178.374 176.600 -0.040 0.000 1.046 127 K CA 1.521 57.781 56.287 -0.045 0.000 0.933 127 K CB 0.013 32.490 32.500 -0.038 0.000 0.728 127 K HN 0.018 nan 8.250 nan 0.000 0.454 128 R N -1.421 119.046 120.500 -0.054 0.000 2.290 128 R HA 0.141 4.479 4.340 -0.003 0.000 0.197 128 R C 0.786 177.065 176.300 -0.036 0.000 0.913 128 R CA 0.563 56.637 56.100 -0.042 0.000 1.040 128 R CB 0.571 30.838 30.300 -0.054 0.000 0.992 128 R HN 0.469 nan 8.270 nan 0.000 0.500 129 G N 1.214 109.990 108.800 -0.041 0.000 2.143 129 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.248 129 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.248 129 G C -0.037 174.847 174.900 -0.027 0.000 0.991 129 G CA -0.133 44.949 45.100 -0.029 0.000 0.689 129 G HN 0.136 nan 8.290 nan 0.000 0.522 130 L N 0.302 121.501 121.223 -0.040 0.000 2.350 130 L HA 0.379 4.718 4.340 -0.003 0.000 0.275 130 L C 0.715 177.571 176.870 -0.024 0.000 1.099 130 L CA -1.102 53.721 54.840 -0.028 0.000 0.808 130 L CB 1.001 43.036 42.059 -0.041 0.000 1.149 130 L HN 0.156 nan 8.230 nan 0.000 0.442 131 N N 2.314 121.011 118.700 -0.005 0.000 2.416 131 N HA -0.011 4.727 4.740 -0.003 0.000 0.265 131 N C 0.501 176.019 175.510 0.014 0.000 1.195 131 N CA 0.052 53.104 53.050 0.003 0.000 0.943 131 N CB 1.001 39.494 38.487 0.011 0.000 1.115 131 N HN 0.567 nan 8.380 nan 0.000 0.481 132 L N 3.309 124.539 121.223 0.011 0.000 2.191 132 L HA -0.022 4.316 4.340 -0.003 0.000 0.212 132 L C 1.806 178.709 176.870 0.055 0.000 1.103 132 L CA 1.336 56.198 54.840 0.037 0.000 0.769 132 L CB -0.255 41.822 42.059 0.030 0.000 0.908 132 L HN 0.525 nan 8.230 nan 0.000 0.438 133 S N -0.727 114.995 115.700 0.038 0.000 2.555 133 S HA -0.007 4.461 4.470 -0.003 0.000 0.230 133 S C 1.097 175.721 174.600 0.040 0.000 0.978 133 S CA 0.558 58.780 58.200 0.037 0.000 0.934 133 S CB -0.195 63.019 63.200 0.024 0.000 0.766 133 S HN 0.413 nan 8.310 nan 0.000 0.533 134 E N 0.578 120.805 120.200 0.046 0.000 2.789 134 E HA 0.305 4.653 4.350 -0.003 0.000 0.208 134 E C -0.434 176.206 176.600 0.068 0.000 0.988 134 E CA -0.077 56.351 56.400 0.048 0.000 1.092 134 E CB 0.441 30.164 29.700 0.038 0.000 1.066 134 E HN 0.450 nan 8.360 nan 0.000 0.465 135 I N 1.168 121.789 120.570 0.086 0.000 2.359 135 I HA 0.280 4.448 4.170 -0.003 0.000 0.294 135 I C -0.111 176.069 176.117 0.105 0.000 0.987 135 I CA -0.839 60.531 61.300 0.118 0.000 1.225 135 I CB 1.718 39.825 38.000 0.179 0.000 1.366 135 I HN -0.321 nan 8.210 nan 0.000 0.466 136 V N 5.316 125.302 119.914 0.120 0.000 2.656 136 V HA 0.428 4.546 4.120 -0.003 0.000 0.307 136 V C -0.282 175.901 176.094 0.148 0.000 1.051 136 V CA -0.515 61.849 62.300 0.108 0.000 0.893 136 V CB 1.916 33.788 31.823 0.082 0.000 0.999 136 V HN 0.857 nan 8.190 nan 0.000 0.426 137 c N 1.984 120.637 118.600 0.087 0.000 2.630 137 c HA 0.890 5.459 4.570 -0.003 0.000 0.346 137 c C 0.428 174.591 174.090 0.122 0.000 1.245 137 c CA -0.461 55.895 56.329 0.044 0.000 1.804 137 c CB 2.000 44.444 42.510 -0.111 0.000 2.279 137 c HN 0.861 nan 8.230 nan 0.000 0.498 138 S N 0.052 115.808 115.700 0.093 0.000 2.541 138 S HA 0.675 5.144 4.470 -0.003 0.000 0.271 138 S C -0.851 173.778 174.600 0.049 0.000 1.133 138 S CA -0.346 57.968 58.200 0.190 0.000 0.876 138 S CB 1.413 64.898 63.200 0.475 0.000 1.105 138 S HN 0.877 nan 8.310 nan 0.000 0.470 139 S N 3.368 119.202 115.700 0.224 0.000 2.480 139 S HA 0.743 5.212 4.470 -0.003 0.000 0.286 139 S C -1.105 173.918 174.600 0.706 0.000 1.180 139 S CA -0.579 57.777 58.200 0.260 0.000 1.075 139 S CB 0.326 63.651 63.200 0.209 0.000 0.996 139 S HN 0.439 nan 8.310 nan 0.000 0.487 140 F N 1.948 122.111 119.950 0.355 0.000 2.482 140 F HA 0.440 4.965 4.527 -0.003 0.000 0.331 140 F C 1.230 177.239 175.800 0.349 0.000 1.115 140 F CA -1.653 56.675 58.000 0.546 0.000 0.955 140 F CB 1.378 40.805 39.000 0.711 0.000 1.136 140 F HN 0.726 nan 8.300 nan 0.000 0.452 141 T N -0.141 114.637 114.554 0.373 0.000 2.795 141 T HA 0.291 4.639 4.350 -0.003 0.000 0.314 141 T C 0.744 175.663 174.700 0.365 0.000 1.069 141 T CA -0.313 61.884 62.100 0.162 0.000 1.071 141 T CB 0.949 69.764 68.868 -0.087 0.000 0.988 141 T HN 0.664 nan 8.240 nan 0.000 0.543 142 M N 0.395 120.103 119.600 0.180 0.000 2.231 142 M HA 0.319 4.797 4.480 -0.003 0.000 0.347 142 M C 1.319 177.800 176.300 0.301 0.000 0.901 142 M CA 0.303 55.788 55.300 0.308 0.000 1.064 142 M CB 0.471 33.173 32.600 0.170 0.000 1.861 142 M HN 1.172 nan 8.290 nan 0.000 0.638 143 G N 1.940 110.738 108.800 -0.003 0.000 2.575 143 G HA2 -0.307 3.652 3.960 -0.003 0.000 0.267 143 G HA3 -0.307 3.652 3.960 -0.003 0.000 0.267 143 G C -1.154 173.853 174.900 0.179 0.000 1.264 143 G CA 0.201 45.330 45.100 0.049 0.000 0.935 143 G HN 0.531 nan 8.290 nan 0.000 0.568 144 W N -0.973 120.218 121.300 -0.181 0.000 3.138 144 W HA 0.750 5.408 4.660 -0.003 0.000 0.331 144 W C -1.068 175.117 176.519 -0.557 0.000 1.166 144 W CA -1.443 55.814 57.345 -0.146 0.000 1.212 144 W CB 0.915 30.308 29.460 -0.112 0.000 1.399 144 W HN 0.431 nan 8.180 nan 0.000 0.514 145 F N 5.100 124.330 119.950 -1.200 0.000 2.811 145 F HA 0.417 4.942 4.527 -0.003 0.000 0.342 145 F C 1.222 175.835 175.800 -1.980 0.000 1.203 145 F CA 0.252 57.297 58.000 -1.591 0.000 1.173 145 F CB 1.218 39.882 39.000 -0.561 0.000 1.094 145 F HN 0.804 nan 8.300 nan 0.000 0.510 146 G N -0.237 107.254 108.800 -2.182 0.000 2.307 146 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.210 146 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.210 146 G C 0.300 175.155 174.900 -0.075 0.000 1.005 146 G CA -0.118 44.482 45.100 -0.834 0.000 0.634 146 G HN 0.300 nan 8.290 nan 0.000 0.496 147 E N 1.584 121.733 120.200 -0.084 0.000 2.418 147 E HA 0.216 4.564 4.350 -0.003 0.000 0.261 147 E C 0.556 177.303 176.600 0.244 0.000 1.070 147 E CA 0.266 56.730 56.400 0.106 0.000 0.931 147 E CB 0.744 30.496 29.700 0.087 0.000 0.954 147 E HN 0.307 nan 8.360 nan 0.000 0.439 148 E N 1.306 121.595 120.200 0.148 0.000 2.230 148 E HA -0.056 4.293 4.350 -0.003 0.000 0.192 148 E C 0.381 177.047 176.600 0.109 0.000 0.987 148 E CA 0.505 56.975 56.400 0.118 0.000 0.841 148 E CB -0.114 29.639 29.700 0.089 0.000 0.783 148 E HN 0.597 nan 8.360 nan 0.000 0.481 149 K N 1.716 122.184 120.400 0.113 0.000 2.484 149 K HA 0.048 4.366 4.320 -0.003 0.000 0.280 149 K C -0.143 176.533 176.600 0.128 0.000 1.013 149 K CA 0.150 56.499 56.287 0.102 0.000 1.029 149 K CB 0.241 32.785 32.500 0.073 0.000 0.902 149 K HN -0.259 nan 8.250 nan 0.000 0.481 150 N N 3.397 122.176 118.700 0.133 0.000 2.904 150 N HA 0.154 4.892 4.740 -0.003 0.000 0.257 150 N C -1.514 174.164 175.510 0.281 0.000 1.363 150 N CA -0.689 52.487 53.050 0.210 0.000 0.856 150 N CB 1.015 39.615 38.487 0.188 0.000 1.166 150 N HN 0.553 nan 8.380 nan 0.000 0.499 151 V N -0.155 119.786 119.914 0.046 0.000 2.864 151 V HA 0.610 4.729 4.120 -0.003 0.000 0.314 151 V C 0.384 176.063 176.094 -0.692 0.000 1.073 151 V CA -1.172 60.996 62.300 -0.220 0.000 0.956 151 V CB 1.902 33.633 31.823 -0.153 0.000 1.023 151 V HN 0.259 nan 8.190 nan 0.000 0.435 152 R N 2.283 122.245 120.500 -0.898 0.000 4.576 152 R HA 0.238 4.576 4.340 -0.003 0.000 0.185 152 R C 0.300 176.400 176.300 -0.332 0.000 1.837 152 R CA 0.175 55.793 56.100 -0.803 0.000 1.520 152 R CB -0.742 29.106 30.300 -0.753 0.000 1.403 152 R HN 0.967 nan 8.270 nan 0.000 0.831 153 T N -1.961 112.458 114.554 -0.225 0.000 2.918 153 T HA 0.562 4.910 4.350 -0.003 0.000 0.283 153 T C 0.396 175.181 174.700 0.141 0.000 1.001 153 T CA -0.830 61.257 62.100 -0.021 0.000 1.041 153 T CB 1.893 70.759 68.868 -0.004 0.000 1.028 153 T HN 0.132 nan 8.240 nan 0.000 0.511 154 V N -1.281 118.657 119.914 0.039 0.000 3.147 154 V HA 0.730 4.848 4.120 -0.003 0.000 0.306 154 V C -0.974 175.078 176.094 -0.070 0.000 1.209 154 V CA -1.490 60.832 62.300 0.036 0.000 1.023 154 V CB 2.126 33.984 31.823 0.058 0.000 1.059 154 V HN 0.910 nan 8.190 nan 0.000 0.435 155 R N 1.986 122.412 120.500 -0.123 0.000 2.428 155 R HA 0.725 5.063 4.340 -0.003 0.000 0.294 155 R C -1.172 175.007 176.300 -0.201 0.000 1.000 155 R CA -0.582 55.354 56.100 -0.274 0.000 0.960 155 R CB 1.775 31.704 30.300 -0.618 0.000 1.076 155 R HN 0.773 nan 8.270 nan 0.000 0.475 156 L N 2.449 123.514 121.223 -0.262 0.000 2.313 156 L HA 0.373 4.712 4.340 -0.003 0.000 0.283 156 L C -0.462 176.172 176.870 -0.393 0.000 1.013 156 L CA -0.721 53.943 54.840 -0.293 0.000 0.816 156 L CB 1.746 43.658 42.059 -0.245 0.000 1.236 156 L HN 0.332 nan 8.230 nan 0.000 0.419 157 D N 1.329 121.413 120.400 -0.526 0.000 2.252 157 D HA 0.549 5.188 4.640 -0.003 0.000 0.245 157 D C -0.989 174.950 176.300 -0.602 0.000 1.009 157 D CA -0.108 53.535 54.000 -0.594 0.000 0.870 157 D CB 2.071 42.439 40.800 -0.719 0.000 1.251 157 D HN 0.362 nan 8.370 nan 0.000 0.460 158 c N 1.547 119.724 118.600 -0.705 0.000 2.614 158 c HA 0.717 5.285 4.570 -0.003 0.000 0.320 158 c C -0.837 172.757 174.090 -0.825 0.000 1.200 158 c CA -0.713 55.306 56.329 -0.518 0.000 1.700 158 c CB 0.262 42.704 42.510 -0.114 0.000 2.275 158 c HN 0.464 nan 8.230 nan 0.000 0.492 159 F N 1.562 121.527 119.950 0.025 0.000 2.601 159 F HA 0.567 5.092 4.527 -0.003 0.000 0.309 159 F C -0.006 175.808 175.800 0.023 0.000 1.089 159 F CA -0.921 57.089 58.000 0.018 0.000 0.940 159 F CB 1.034 40.001 39.000 -0.055 0.000 1.273 159 F HN 0.190 nan 8.300 nan 0.000 0.450 160 M N 2.041 121.762 119.600 0.201 0.000 2.250 160 M HA 0.241 4.719 4.480 -0.003 0.000 0.344 160 M C -0.059 176.308 176.300 0.110 0.000 1.150 160 M CA -0.096 55.281 55.300 0.129 0.000 1.147 160 M CB 1.084 33.742 32.600 0.097 0.000 1.498 160 M HN 0.626 nan 8.290 nan 0.000 0.461 161 K N 2.350 122.794 120.400 0.073 0.000 2.877 161 K HA 0.269 4.587 4.320 -0.003 0.000 0.176 161 K C -0.125 176.495 176.600 0.033 0.000 1.075 161 K CA 0.043 56.356 56.287 0.043 0.000 0.939 161 K CB 0.680 33.198 32.500 0.030 0.000 1.237 161 K HN 0.644 nan 8.250 nan 0.000 0.607 162 E N -0.340 119.881 120.200 0.035 0.000 2.046 162 E HA -0.042 4.306 4.350 -0.003 0.000 0.199 162 E C 1.061 177.669 176.600 0.013 0.000 0.948 162 E CA 0.950 57.365 56.400 0.025 0.000 0.876 162 E CB 0.150 29.866 29.700 0.027 0.000 0.901 162 E HN 0.403 nan 8.360 nan 0.000 0.479 163 S N -0.075 115.632 115.700 0.013 0.000 2.603 163 S HA 0.036 4.505 4.470 -0.003 0.000 0.220 163 S C 0.684 175.278 174.600 -0.009 0.000 0.967 163 S CA 0.019 58.220 58.200 0.003 0.000 0.920 163 S CB 0.241 63.446 63.200 0.008 0.000 0.773 163 S HN 0.113 nan 8.310 nan 0.000 0.529 164 T N 1.105 115.655 114.554 -0.007 0.000 2.887 164 T HA 0.430 4.779 4.350 -0.003 0.000 0.288 164 T C 0.838 175.513 174.700 -0.041 0.000 1.021 164 T CA -0.507 61.576 62.100 -0.028 0.000 1.000 164 T CB 1.655 70.521 68.868 -0.002 0.000 1.034 164 T HN 0.094 nan 8.240 nan 0.000 0.467 165 V N 1.985 121.844 119.914 -0.091 0.000 3.573 165 V HA 0.343 4.461 4.120 -0.003 0.000 0.270 165 V C 1.055 177.144 176.094 -0.007 0.000 1.221 165 V CA 0.206 62.463 62.300 -0.071 0.000 1.163 165 V CB -0.826 30.934 31.823 -0.105 0.000 0.847 165 V HN 0.713 nan 8.190 nan 0.000 0.468 166 N N 1.998 120.708 118.700 0.016 0.000 2.895 166 N HA 0.211 4.949 4.740 -0.003 0.000 0.277 166 N C 1.003 176.529 175.510 0.026 0.000 1.185 166 N CA 0.058 53.178 53.050 0.116 0.000 1.106 166 N CB 0.209 38.781 38.487 0.141 0.000 1.422 166 N HN 0.778 nan 8.380 nan 0.000 0.521 167 I N -0.618 119.883 120.570 -0.115 0.000 2.500 167 I HA -0.086 4.082 4.170 -0.003 0.000 0.252 167 I C 0.783 176.667 176.117 -0.388 0.000 1.142 167 I CA 0.804 61.958 61.300 -0.244 0.000 1.451 167 I CB -0.422 37.342 38.000 -0.393 0.000 1.093 167 I HN 0.098 nan 8.210 nan 0.000 0.430 168 Y N 2.117 122.224 120.300 -0.322 0.000 2.497 168 Y HA -0.028 4.520 4.550 -0.003 0.000 0.292 168 Y C 2.458 178.368 175.900 0.017 0.000 1.137 168 Y CA 1.101 58.965 58.100 -0.392 0.000 1.285 168 Y CB -0.647 37.640 38.460 -0.288 0.000 0.991 168 Y HN 0.220 nan 8.280 nan 0.000 0.556 169 V N -1.856 118.173 119.914 0.192 0.000 3.649 169 V HA 0.196 4.314 4.120 -0.003 0.000 0.275 169 V C 0.543 176.804 176.094 0.279 0.000 1.281 169 V CA 0.074 62.536 62.300 0.271 0.000 1.143 169 V CB -0.329 31.658 31.823 0.273 0.000 0.892 169 V HN 0.270 nan 8.190 nan 0.000 0.441 170 R N 1.924 122.591 120.500 0.278 0.000 2.835 170 R HA 0.386 4.724 4.340 -0.003 0.000 0.290 170 R C -2.834 173.679 176.300 0.356 0.000 1.410 170 R CA -1.619 54.638 56.100 0.263 0.000 1.590 170 R CB 0.582 30.994 30.300 0.187 0.000 1.288 170 R HN 0.360 nan 8.270 nan 0.000 0.637 171 P HA 0.059 nan 4.420 nan 0.000 0.271 171 P C -0.183 177.155 177.300 0.064 0.000 1.218 171 P CA 0.003 63.262 63.100 0.265 0.000 0.780 171 P CB 1.085 32.961 31.700 0.292 0.000 0.901 172 I N 2.201 122.717 120.570 -0.090 0.000 2.287 172 I HA 0.169 4.338 4.170 -0.003 0.000 0.290 172 I C 0.752 176.831 176.117 -0.064 0.000 1.069 172 I CA 0.187 61.459 61.300 -0.046 0.000 1.237 172 I CB 0.457 38.439 38.000 -0.030 0.000 1.418 172 I HN 0.173 nan 8.210 nan 0.000 0.481 173 T N 4.053 118.599 114.554 -0.015 0.000 2.902 173 T HA 0.600 4.948 4.350 -0.003 0.000 0.283 173 T C 0.906 175.595 174.700 -0.019 0.000 1.009 173 T CA 0.154 62.243 62.100 -0.018 0.000 1.051 173 T CB 1.649 70.548 68.868 0.051 0.000 0.999 173 T HN 0.907 nan 8.240 nan 0.000 0.474 174 G N 1.689 110.466 108.800 -0.037 0.000 2.205 174 G HA2 -0.133 3.825 3.960 -0.003 0.000 0.180 174 G HA3 -0.133 3.825 3.960 -0.003 0.000 0.180 174 G C -0.049 174.822 174.900 -0.048 0.000 1.004 174 G CA -0.667 44.417 45.100 -0.025 0.000 0.670 174 G HN 0.671 nan 8.290 nan 0.000 0.496 175 I N 2.486 123.008 120.570 -0.079 0.000 2.382 175 I HA 0.357 4.525 4.170 -0.003 0.000 0.286 175 I C 0.047 176.052 176.117 -0.186 0.000 1.002 175 I CA -0.673 60.542 61.300 -0.140 0.000 1.135 175 I CB 1.882 39.831 38.000 -0.085 0.000 1.288 175 I HN -0.051 nan 8.210 nan 0.000 0.448 176 T N 7.527 121.971 114.554 -0.183 0.000 2.761 176 T HA 0.491 4.839 4.350 -0.003 0.000 0.296 176 T C 0.029 174.574 174.700 -0.258 0.000 0.934 176 T CA 0.118 62.128 62.100 -0.151 0.000 1.091 176 T CB 0.244 69.132 68.868 0.032 0.000 0.896 176 T HN 0.297 nan 8.240 nan 0.000 0.515 177 I N 3.869 124.299 120.570 -0.233 0.000 2.448 177 I HA 0.336 4.505 4.170 -0.003 0.000 0.281 177 I C -0.584 175.413 176.117 -0.200 0.000 1.027 177 I CA -0.939 60.236 61.300 -0.209 0.000 1.111 177 I CB 1.673 39.546 38.000 -0.213 0.000 1.236 177 I HN 0.261 nan 8.210 nan 0.000 0.452 178 V N 5.281 125.099 119.914 -0.160 0.000 2.398 178 V HA 0.732 4.851 4.120 -0.003 0.000 0.286 178 V C 0.348 176.357 176.094 -0.141 0.000 1.026 178 V CA -0.409 61.806 62.300 -0.142 0.000 0.868 178 V CB 1.485 33.253 31.823 -0.091 0.000 0.982 178 V HN 0.799 nan 8.190 nan 0.000 0.443 179 A N 3.370 126.111 122.820 -0.130 0.000 2.350 179 A HA 0.697 5.016 4.320 -0.003 0.000 0.324 179 A C -0.733 176.791 177.584 -0.099 0.000 1.118 179 A CA -0.577 51.384 52.037 -0.128 0.000 0.783 179 A CB 1.308 20.226 19.000 -0.136 0.000 1.236 179 A HN 0.754 nan 8.150 nan 0.000 0.457 180 D N 2.159 122.498 120.400 -0.101 0.000 2.232 180 D HA 0.363 5.001 4.640 -0.003 0.000 0.242 180 D C 0.449 176.688 176.300 -0.103 0.000 1.093 180 D CA -0.302 53.632 54.000 -0.109 0.000 0.845 180 D CB 1.258 41.994 40.800 -0.106 0.000 1.124 180 D HN 0.407 nan 8.370 nan 0.000 0.467 181 L N 2.677 123.829 121.223 -0.118 0.000 2.418 181 L HA 0.007 4.345 4.340 -0.003 0.000 0.218 181 L C 1.506 178.326 176.870 -0.084 0.000 1.125 181 L CA 0.244 55.032 54.840 -0.087 0.000 0.835 181 L CB 0.095 42.107 42.059 -0.078 0.000 0.953 181 L HN 0.351 nan 8.230 nan 0.000 0.454 182 D N 0.302 120.630 120.400 -0.120 0.000 2.120 182 D HA -0.046 4.593 4.640 -0.003 0.000 0.202 182 D C 2.313 178.571 176.300 -0.069 0.000 0.972 182 D CA 1.147 55.087 54.000 -0.100 0.000 0.837 182 D CB 0.107 40.826 40.800 -0.134 0.000 0.989 182 D HN 0.221 nan 8.370 nan 0.000 0.469 183 L N -0.253 120.927 121.223 -0.071 0.000 2.313 183 L HA 0.041 4.379 4.340 -0.003 0.000 0.214 183 L C 0.631 177.472 176.870 -0.047 0.000 1.119 183 L CA -0.018 54.790 54.840 -0.053 0.000 0.809 183 L CB -0.136 41.891 42.059 -0.054 0.000 0.933 183 L HN 0.029 nan 8.230 nan 0.000 0.449 184 M N 0.717 120.283 119.600 -0.057 0.000 2.347 184 M HA -0.226 4.253 4.480 -0.003 0.000 0.198 184 M C -0.169 176.096 176.300 -0.058 0.000 0.549 184 M CA 0.931 56.201 55.300 -0.051 0.000 0.481 184 M CB -1.040 31.539 32.600 -0.035 0.000 1.393 184 M HN 0.268 nan 8.290 nan 0.000 0.905 185 K N 0.826 121.181 120.400 -0.075 0.000 2.501 185 K HA 0.598 4.917 4.320 -0.003 0.000 0.252 185 K C -0.739 175.783 176.600 -0.130 0.000 0.934 185 K CA -0.876 55.360 56.287 -0.085 0.000 0.797 185 K CB 1.289 33.755 32.500 -0.056 0.000 1.270 185 K HN 0.381 nan 8.250 nan 0.000 0.431 186 I N 4.992 125.439 120.570 -0.206 0.000 2.581 186 I HA -0.043 4.125 4.170 -0.003 0.000 0.285 186 I C 1.331 177.327 176.117 -0.202 0.000 1.129 186 I CA -0.100 61.013 61.300 -0.312 0.000 1.397 186 I CB 0.892 38.474 38.000 -0.697 0.000 1.399 186 I HN 0.514 nan 8.210 nan 0.000 0.537 187 V N 1.694 121.525 119.914 -0.138 0.000 3.643 187 V HA 0.363 4.481 4.120 -0.003 0.000 0.280 187 V C 0.421 176.484 176.094 -0.052 0.000 1.351 187 V CA 0.222 62.480 62.300 -0.071 0.000 1.073 187 V CB -0.110 31.679 31.823 -0.057 0.000 0.863 187 V HN 0.826 nan 8.190 nan 0.000 0.436 188 E N -0.586 119.567 120.200 -0.079 0.000 2.352 188 E HA 0.553 4.901 4.350 -0.003 0.000 0.280 188 E C -2.382 174.169 176.600 -0.081 0.000 0.930 188 E CA -0.753 55.605 56.400 -0.070 0.000 0.765 188 E CB 2.918 32.598 29.700 -0.033 0.000 1.219 188 E HN 0.288 nan 8.360 nan 0.000 0.434 189 Y N 2.425 122.511 120.300 -0.357 0.000 2.442 189 Y HA 0.449 4.997 4.550 -0.003 0.000 0.330 189 Y C -1.916 173.645 175.900 -0.566 0.000 1.100 189 Y CA -0.367 57.571 58.100 -0.269 0.000 1.034 189 Y CB 1.624 40.105 38.460 0.035 0.000 1.285 189 Y HN 0.672 nan 8.280 nan 0.000 0.440 190 H N 3.144 121.935 119.070 -0.465 0.000 3.179 190 H HA 0.225 4.779 4.556 -0.003 0.000 0.331 190 H C -1.780 173.326 175.328 -0.370 0.000 1.013 190 H CA -1.018 54.891 56.048 -0.232 0.000 1.430 190 H CB 1.349 31.045 29.762 -0.109 0.000 1.895 190 H HN 0.457 nan 8.280 nan 0.000 0.468 191 D N 2.271 122.621 120.400 -0.083 0.000 2.393 191 D HA 0.133 4.771 4.640 -0.003 0.000 0.232 191 D C 0.608 176.921 176.300 0.021 0.000 1.192 191 D CA -0.145 53.838 54.000 -0.029 0.000 0.882 191 D CB 0.608 41.475 40.800 0.112 0.000 1.038 191 D HN 0.604 nan 8.370 nan 0.000 0.499 192 R N 2.049 122.546 120.500 -0.006 0.000 2.156 192 R HA 0.172 4.510 4.340 -0.003 0.000 0.207 192 R C 0.165 176.466 176.300 0.002 0.000 1.040 192 R CA 0.209 56.308 56.100 -0.002 0.000 1.013 192 R CB 0.652 30.939 30.300 -0.020 0.000 0.931 192 R HN 0.391 nan 8.270 nan 0.000 0.465 193 D N -0.512 119.889 120.400 0.001 0.000 2.837 193 D HA 0.280 4.918 4.640 -0.003 0.000 0.220 193 D C -1.209 175.095 176.300 0.007 0.000 1.236 193 D CA -0.434 53.570 54.000 0.007 0.000 0.838 193 D CB 2.520 43.326 40.800 0.010 0.000 1.647 193 D HN -0.109 nan 8.370 nan 0.000 0.486 194 I N 2.543 123.119 120.570 0.009 0.000 2.321 194 I HA 0.209 4.377 4.170 -0.003 0.000 0.291 194 I C -0.062 176.063 176.117 0.013 0.000 0.998 194 I CA -0.400 60.904 61.300 0.007 0.000 1.227 194 I CB 1.226 39.229 38.000 0.004 0.000 1.368 194 I HN 0.068 nan 8.210 nan 0.000 0.466 195 E N 4.725 124.935 120.200 0.017 0.000 2.266 195 E HA 0.526 4.875 4.350 -0.003 0.000 0.268 195 E C -0.547 176.069 176.600 0.027 0.000 0.879 195 E CA -0.839 55.577 56.400 0.026 0.000 0.762 195 E CB 2.407 32.129 29.700 0.038 0.000 1.199 195 E HN 0.634 nan 8.360 nan 0.000 0.422 196 A N 1.689 124.527 122.820 0.029 0.000 2.520 196 A HA 0.191 4.509 4.320 -0.003 0.000 0.235 196 A C 0.169 177.780 177.584 0.044 0.000 1.065 196 A CA -0.177 51.879 52.037 0.032 0.000 0.764 196 A CB 0.236 19.255 19.000 0.030 0.000 1.002 196 A HN 0.314 nan 8.150 nan 0.000 0.502 197 V N 4.660 124.603 119.914 0.048 0.000 2.383 197 V HA 0.256 4.374 4.120 -0.003 0.000 0.275 197 V C -1.999 174.140 176.094 0.076 0.000 1.036 197 V CA -1.176 61.164 62.300 0.067 0.000 0.889 197 V CB 1.028 32.889 31.823 0.063 0.000 0.985 197 V HN 0.784 nan 8.190 nan 0.000 0.459 198 P HA 0.062 nan 4.420 nan 0.000 0.265 198 P C 0.387 177.752 177.300 0.108 0.000 1.193 198 P CA 0.354 63.516 63.100 0.103 0.000 0.765 198 P CB 0.357 32.141 31.700 0.139 0.000 0.823 199 T N 1.703 116.313 114.554 0.094 0.000 2.716 199 T HA 0.134 4.482 4.350 -0.003 0.000 0.335 199 T C 1.252 176.018 174.700 0.110 0.000 1.081 199 T CA 0.472 62.624 62.100 0.088 0.000 1.073 199 T CB 0.134 69.047 68.868 0.074 0.000 0.993 199 T HN 0.360 nan 8.240 nan 0.000 0.547 200 A N 1.891 124.763 122.820 0.087 0.000 2.220 200 A HA 0.276 4.594 4.320 -0.003 0.000 0.211 200 A C 0.877 178.508 177.584 0.078 0.000 1.176 200 A CA -0.059 52.027 52.037 0.082 0.000 0.834 200 A CB -0.082 18.952 19.000 0.056 0.000 0.868 200 A HN 0.770 nan 8.150 nan 0.000 0.488 201 E N 1.394 121.640 120.200 0.077 0.000 2.558 201 E HA -0.046 4.302 4.350 -0.003 0.000 0.255 201 E C -0.207 176.450 176.600 0.095 0.000 0.968 201 E CA 0.538 56.981 56.400 0.071 0.000 0.939 201 E CB -0.444 29.296 29.700 0.068 0.000 0.921 201 E HN 0.541 nan 8.360 nan 0.000 0.477 202 N N 1.123 119.866 118.700 0.071 0.000 2.776 202 N HA -0.208 4.530 4.740 -0.003 0.000 0.249 202 N C 0.137 175.687 175.510 0.066 0.000 1.111 202 N CA 0.834 53.930 53.050 0.078 0.000 0.711 202 N CB -1.079 37.477 38.487 0.115 0.000 1.065 202 N HN 0.561 nan 8.380 nan 0.000 0.556 203 T N -4.496 110.079 114.554 0.036 0.000 3.040 203 T HA 0.162 4.510 4.350 -0.003 0.000 0.266 203 T C 0.227 174.930 174.700 0.005 0.000 1.005 203 T CA -0.265 61.821 62.100 -0.023 0.000 0.906 203 T CB 0.632 69.519 68.868 0.030 0.000 1.082 203 T HN 0.145 nan 8.240 nan 0.000 0.531 204 E N 1.997 122.195 120.200 -0.003 0.000 2.289 204 E HA 0.278 4.626 4.350 -0.003 0.000 0.278 204 E C -0.042 176.554 176.600 -0.006 0.000 1.032 204 E CA -0.931 55.429 56.400 -0.066 0.000 0.854 204 E CB 0.483 30.139 29.700 -0.073 0.000 1.046 204 E HN 0.623 nan 8.360 nan 0.000 0.409 205 Y N 1.454 121.747 120.300 -0.011 0.000 2.481 205 Y HA 0.389 4.937 4.550 -0.003 0.000 0.247 205 Y C -0.056 175.851 175.900 0.011 0.000 1.151 205 Y CA -0.658 57.440 58.100 -0.004 0.000 1.238 205 Y CB -0.027 38.420 38.460 -0.022 0.000 1.179 205 Y HN 0.283 nan 8.280 nan 0.000 0.524 206 Q N 0.997 120.671 119.800 -0.209 0.000 2.243 206 Q HA 0.256 4.594 4.340 -0.003 0.000 0.252 206 Q C 0.964 176.959 176.000 -0.007 0.000 0.909 206 Q CA -0.111 55.636 55.803 -0.094 0.000 0.922 206 Q CB 3.013 31.654 28.738 -0.162 0.000 1.215 206 Q HN 0.305 nan 8.270 nan 0.000 0.427 207 V N 2.542 122.466 119.914 0.017 0.000 2.427 207 V HA -0.253 3.865 4.120 -0.003 0.000 0.248 207 V C 1.922 178.031 176.094 0.025 0.000 1.051 207 V CA 2.567 64.880 62.300 0.022 0.000 1.048 207 V CB -0.363 31.417 31.823 -0.072 0.000 0.666 207 V HN 0.990 nan 8.190 nan 0.000 0.456 208 S N 0.134 115.830 115.700 -0.007 0.000 2.383 208 S HA -0.195 4.273 4.470 -0.003 0.000 0.229 208 S C 1.752 176.356 174.600 0.005 0.000 1.030 208 S CA 1.340 59.537 58.200 -0.006 0.000 1.002 208 S CB -0.477 62.710 63.200 -0.022 0.000 0.829 208 S HN 0.606 nan 8.310 nan 0.000 0.467 209 K N 1.427 121.820 120.400 -0.012 0.000 2.404 209 K HA 0.334 4.652 4.320 -0.003 0.000 0.194 209 K C 0.377 176.994 176.600 0.028 0.000 1.023 209 K CA 0.163 56.444 56.287 -0.010 0.000 1.094 209 K CB 0.000 32.462 32.500 -0.063 0.000 0.841 209 K HN 0.595 nan 8.250 nan 0.000 0.523 210 Q N 0.485 120.341 119.800 0.094 0.000 2.215 210 Q HA 0.287 4.626 4.340 -0.003 0.000 0.256 210 Q C -0.204 175.899 176.000 0.172 0.000 0.972 210 Q CA -0.537 55.347 55.803 0.134 0.000 0.889 210 Q CB 1.906 30.791 28.738 0.245 0.000 1.281 210 Q HN 0.097 nan 8.270 nan 0.000 0.456 211 S N 0.229 115.935 115.700 0.010 0.000 2.689 211 S HA 0.708 5.176 4.470 -0.003 0.000 0.306 211 S C -2.608 171.661 174.600 -0.552 0.000 1.104 211 S CA -1.575 56.568 58.200 -0.094 0.000 0.973 211 S CB 1.158 64.326 63.200 -0.054 0.000 1.121 211 S HN 0.273 nan 8.310 nan 0.000 0.523 212 P HA 0.257 nan 4.420 nan 0.000 0.269 212 P C -2.214 174.809 177.300 -0.462 0.000 1.211 212 P CA -0.574 62.068 63.100 -0.763 0.000 0.781 212 P CB -0.383 31.141 31.700 -0.293 0.000 0.877 213 P HA 0.403 nan 4.420 nan 0.000 0.281 213 P C -1.297 175.698 177.300 -0.508 0.000 1.264 213 P CA -0.190 62.696 63.100 -0.358 0.000 0.824 213 P CB 0.787 32.403 31.700 -0.139 0.000 1.092 214 F N -0.476 119.483 119.950 0.014 0.000 2.522 214 F HA 0.755 5.281 4.527 -0.003 0.000 0.324 214 F C 0.970 176.780 175.800 0.017 0.000 1.077 214 F CA 0.061 58.070 58.000 0.016 0.000 0.944 214 F CB 2.181 41.189 39.000 0.014 0.000 1.175 214 F HN 0.710 nan 8.300 nan 0.000 0.468 215 G N 1.499 110.428 108.800 0.215 0.000 2.321 215 G HA2 0.447 4.406 3.960 -0.003 0.000 0.298 215 G HA3 0.447 4.406 3.960 -0.003 0.000 0.298 215 G C -3.131 171.825 174.900 0.094 0.000 1.385 215 G CA -1.098 44.079 45.100 0.129 0.000 0.856 215 G HN 0.525 nan 8.290 nan 0.000 0.584 216 P HA 0.517 nan 4.420 nan 0.000 0.276 216 P C -0.520 176.822 177.300 0.070 0.000 1.244 216 P CA -0.497 62.641 63.100 0.063 0.000 0.801 216 P CB 1.391 33.117 31.700 0.042 0.000 1.006 217 K N 1.142 121.588 120.400 0.077 0.000 2.448 217 K HA 0.051 4.370 4.320 -0.003 0.000 0.278 217 K C -0.106 176.556 176.600 0.103 0.000 1.009 217 K CA 0.267 56.605 56.287 0.086 0.000 0.995 217 K CB 0.240 32.797 32.500 0.096 0.000 0.917 217 K HN 0.321 nan 8.250 nan 0.000 0.481 218 Q N 3.048 122.906 119.800 0.097 0.000 2.322 218 Q HA 0.187 4.525 4.340 -0.003 0.000 0.265 218 Q C -0.811 175.291 176.000 0.170 0.000 0.985 218 Q CA -0.686 55.180 55.803 0.105 0.000 0.849 218 Q CB 1.579 30.349 28.738 0.052 0.000 1.274 218 Q HN 0.653 nan 8.270 nan 0.000 0.449 219 H N 0.924 119.984 119.070 -0.017 0.000 2.764 219 H HA 0.093 4.647 4.556 -0.003 0.000 0.341 219 H C 0.607 175.916 175.328 -0.032 0.000 1.072 219 H CA -0.262 55.771 56.048 -0.026 0.000 1.444 219 H CB 1.078 30.820 29.762 -0.032 0.000 1.458 219 H HN 0.680 nan 8.280 nan 0.000 0.572 220 S N 3.404 119.115 115.700 0.018 0.000 2.641 220 S HA 0.438 4.906 4.470 -0.003 0.000 0.261 220 S C -0.183 174.406 174.600 -0.019 0.000 1.257 220 S CA -0.796 57.394 58.200 -0.016 0.000 0.983 220 S CB 1.251 64.419 63.200 -0.053 0.000 0.990 220 S HN 0.538 nan 8.310 nan 0.000 0.572 221 L N -0.759 120.447 121.223 -0.028 0.000 2.622 221 L HA 0.705 5.044 4.340 -0.003 0.000 0.258 221 L C -0.964 175.888 176.870 -0.030 0.000 0.996 221 L CA -0.176 54.635 54.840 -0.047 0.000 0.858 221 L CB 2.015 44.056 42.059 -0.030 0.000 1.449 221 L HN 0.985 nan 8.230 nan 0.000 0.411 222 T N 0.855 115.372 114.554 -0.061 0.000 2.903 222 T HA 0.883 5.232 4.350 -0.003 0.000 0.299 222 T C -1.260 173.481 174.700 0.069 0.000 1.093 222 T CA 0.322 62.441 62.100 0.031 0.000 1.002 222 T CB 1.412 70.325 68.868 0.076 0.000 1.127 222 T HN 1.085 nan 8.240 nan 0.000 0.488 223 S N 2.331 118.142 115.700 0.185 0.000 2.615 223 S HA 0.747 5.216 4.470 -0.003 0.000 0.269 223 S C -1.478 173.284 174.600 0.270 0.000 1.161 223 S CA -0.846 57.479 58.200 0.208 0.000 0.817 223 S CB 1.775 65.000 63.200 0.041 0.000 1.131 223 S HN 1.192 nan 8.310 nan 0.000 0.467 224 H N -0.357 118.740 119.070 0.045 0.000 3.140 224 H HA 0.406 4.959 4.556 -0.004 0.000 0.336 224 H C -1.878 173.415 175.328 -0.057 0.000 1.142 224 H CA -0.109 55.942 56.048 0.004 0.000 1.308 224 H CB 1.633 31.404 29.762 0.015 0.000 1.970 224 H HN 0.709 nan 8.280 nan 0.000 0.521 225 Q N 5.943 125.413 119.800 -0.550 0.000 2.430 225 Q HA 0.220 4.559 4.340 -0.003 0.000 0.245 225 Q C -1.846 173.805 176.000 -0.582 0.000 1.021 225 Q CA -1.975 53.579 55.803 -0.415 0.000 0.867 225 Q CB 1.557 30.165 28.738 -0.216 0.000 1.210 225 Q HN 0.557 nan 8.270 nan 0.000 0.487 226 P HA -0.211 nan 4.420 nan 0.000 0.217 226 P C 0.609 177.825 177.300 -0.142 0.000 1.148 226 P CA 1.303 64.271 63.100 -0.221 0.000 0.828 226 P CB 0.315 31.977 31.700 -0.063 0.000 0.783 227 Q N -1.048 118.679 119.800 -0.121 0.000 2.220 227 Q HA 0.299 4.637 4.340 -0.003 0.000 0.205 227 Q C 0.557 176.505 176.000 -0.087 0.000 0.865 227 Q CA 0.044 55.802 55.803 -0.075 0.000 0.960 227 Q CB 0.059 28.772 28.738 -0.040 0.000 1.097 227 Q HN 0.123 nan 8.270 nan 0.000 0.493 228 G N 1.578 110.300 108.800 -0.130 0.000 2.796 228 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.226 228 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.226 228 G C -2.668 172.177 174.900 -0.092 0.000 1.381 228 G CA -0.914 44.118 45.100 -0.112 0.000 0.867 228 G HN 0.199 nan 8.290 nan 0.000 0.552 229 P HA 0.323 nan 4.420 nan 0.000 0.269 229 P C 1.084 178.284 177.300 -0.167 0.000 1.215 229 P CA 0.763 63.731 63.100 -0.220 0.000 0.780 229 P CB 0.489 31.665 31.700 -0.873 0.000 0.898 230 G N 0.891 109.741 108.800 0.083 0.000 2.777 230 G HA2 0.086 4.045 3.960 -0.003 0.000 0.211 230 G HA3 0.086 4.045 3.960 -0.003 0.000 0.211 230 G C 0.119 175.214 174.900 0.325 0.000 1.149 230 G CA -0.023 45.203 45.100 0.210 0.000 0.785 230 G HN 0.521 nan 8.290 nan 0.000 0.536 231 F N -0.274 119.899 119.950 0.371 0.000 2.377 231 F HA 0.776 5.302 4.527 -0.001 0.000 0.328 231 F C -0.166 175.701 175.800 0.112 0.000 1.094 231 F CA -1.712 56.456 58.000 0.280 0.000 1.093 231 F CB 1.051 40.135 39.000 0.141 0.000 1.214 231 F HN -0.148 nan 8.300 nan 0.000 0.518 232 Q N 2.683 122.598 119.800 0.191 0.000 2.331 232 Q HA 0.573 4.911 4.340 -0.003 0.000 0.267 232 Q C -1.188 174.874 176.000 0.103 0.000 1.006 232 Q CA -0.510 55.334 55.803 0.067 0.000 0.818 232 Q CB 2.706 31.458 28.738 0.023 0.000 1.276 232 Q HN 0.676 nan 8.270 nan 0.000 0.450 233 I N 2.360 122.985 120.570 0.093 0.000 2.312 233 I HA 0.243 4.411 4.170 -0.003 0.000 0.290 233 I C -0.277 175.823 176.117 -0.028 0.000 1.008 233 I CA -0.555 60.748 61.300 0.004 0.000 1.226 233 I CB 0.906 38.909 38.000 0.005 0.000 1.371 233 I HN 0.490 nan 8.210 nan 0.000 0.468 234 N N 5.685 124.361 118.700 -0.040 0.000 2.621 234 N HA 0.359 5.097 4.740 -0.003 0.000 0.237 234 N C 0.395 175.904 175.510 -0.003 0.000 0.997 234 N CA 0.792 53.836 53.050 -0.010 0.000 0.918 234 N CB 1.245 39.739 38.487 0.011 0.000 1.122 234 N HN 0.925 nan 8.380 nan 0.000 0.510 235 G N 3.172 111.962 108.800 -0.016 0.000 2.595 235 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.297 235 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.297 235 G C 0.277 175.081 174.900 -0.160 0.000 1.181 235 G CA 0.349 45.457 45.100 0.013 0.000 0.963 235 G HN 0.706 nan 8.290 nan 0.000 0.541 236 H N 1.037 120.059 119.070 -0.080 0.000 2.674 236 H HA 0.580 5.135 4.556 -0.003 0.000 0.274 236 H C 0.441 175.523 175.328 -0.409 0.000 1.121 236 H CA 0.540 56.425 56.048 -0.272 0.000 1.132 236 H CB 0.674 30.187 29.762 -0.414 0.000 1.606 236 H HN 0.332 nan 8.280 nan 0.000 0.558 237 S N 1.264 116.876 115.700 -0.146 0.000 2.452 237 S HA 0.314 4.782 4.470 -0.003 0.000 0.284 237 S C -0.061 174.386 174.600 -0.254 0.000 1.171 237 S CA -0.631 57.465 58.200 -0.173 0.000 1.064 237 S CB 1.077 64.257 63.200 -0.034 0.000 0.967 237 S HN 0.025 nan 8.310 nan 0.000 0.484 238 V N 3.343 122.962 119.914 -0.492 0.000 2.439 238 V HA 0.443 4.561 4.120 -0.003 0.000 0.282 238 V C 0.282 176.182 176.094 -0.323 0.000 1.039 238 V CA -0.531 61.440 62.300 -0.548 0.000 0.913 238 V CB 1.681 32.830 31.823 -1.123 0.000 0.983 238 V HN 0.777 nan 8.190 nan 0.000 0.460 239 S N 4.041 119.699 115.700 -0.070 0.000 2.530 239 S HA 0.617 5.085 4.470 -0.003 0.000 0.322 239 S C -1.287 173.474 174.600 0.269 0.000 1.085 239 S CA -0.508 57.740 58.200 0.079 0.000 1.096 239 S CB 0.624 63.861 63.200 0.062 0.000 0.988 239 S HN 0.740 nan 8.310 nan 0.000 0.466 240 W N 4.057 125.434 121.300 0.128 0.000 3.425 240 W HA 0.593 5.252 4.660 -0.003 0.000 0.318 240 W C 0.066 176.732 176.519 0.245 0.000 1.201 240 W CA 0.357 57.820 57.345 0.197 0.000 1.212 240 W CB 0.488 30.089 29.460 0.235 0.000 1.355 240 W HN 0.944 nan 8.180 nan 0.000 0.515 241 A N 3.381 125.776 122.820 -0.708 0.000 5.251 241 A HA -0.431 3.887 4.320 -0.003 0.000 0.334 241 A C 1.042 178.485 177.584 -0.234 0.000 1.764 241 A CA 2.429 54.033 52.037 -0.721 0.000 0.708 241 A CB -1.538 16.737 19.000 -1.207 0.000 1.420 241 A HN 1.289 nan 8.150 nan 0.000 0.394 242 N N -0.803 117.818 118.700 -0.132 0.000 2.203 242 N HA 0.274 5.012 4.740 -0.003 0.000 0.207 242 N C -0.334 175.192 175.510 0.026 0.000 1.130 242 N CA 0.349 53.378 53.050 -0.034 0.000 0.861 242 N CB -0.184 38.247 38.487 -0.094 0.000 1.005 242 N HN 0.664 nan 8.380 nan 0.000 0.507 243 W N 1.050 122.474 121.300 0.205 0.000 2.516 243 W HA 0.525 5.183 4.660 -0.003 0.000 0.343 243 W C 0.154 176.815 176.519 0.236 0.000 1.094 243 W CA -0.762 56.761 57.345 0.297 0.000 1.250 243 W CB 1.466 31.183 29.460 0.428 0.000 1.308 243 W HN -0.371 nan 8.180 nan 0.000 0.588 244 K N 2.602 123.340 120.400 0.563 0.000 2.482 244 K HA 0.570 4.888 4.320 -0.003 0.000 0.251 244 K C -1.341 175.479 176.600 0.366 0.000 0.936 244 K CA -0.783 55.682 56.287 0.297 0.000 0.791 244 K CB 1.965 34.590 32.500 0.207 0.000 1.213 244 K HN 0.356 nan 8.250 nan 0.000 0.428 245 F N -1.467 118.487 119.950 0.007 0.000 2.686 245 F HA 0.423 4.949 4.527 -0.003 0.000 0.311 245 F C -1.068 174.693 175.800 -0.065 0.000 1.128 245 F CA -1.157 56.810 58.000 -0.055 0.000 0.946 245 F CB 1.063 39.936 39.000 -0.212 0.000 1.336 245 F HN 0.381 nan 8.300 nan 0.000 0.457 246 H N 2.234 121.302 119.070 -0.003 0.000 2.459 246 H HA 0.564 5.119 4.556 -0.003 0.000 0.332 246 H C -1.241 174.077 175.328 -0.017 0.000 1.094 246 H CA -0.617 55.349 56.048 -0.137 0.000 1.224 246 H CB 1.603 31.217 29.762 -0.248 0.000 1.449 246 H HN 0.740 nan 8.280 nan 0.000 0.484 247 I N 4.792 125.080 120.570 -0.470 0.000 2.304 247 I HA 0.246 4.414 4.170 -0.003 0.000 0.291 247 I C 0.923 176.896 176.117 -0.240 0.000 1.018 247 I CA -0.233 60.943 61.300 -0.206 0.000 1.260 247 I CB 1.313 39.246 38.000 -0.111 0.000 1.390 247 I HN 0.571 nan 8.210 nan 0.000 0.475 248 G N 5.370 114.188 108.800 0.029 0.000 2.597 248 G HA2 0.725 4.684 3.960 -0.003 0.000 0.317 248 G HA3 0.725 4.684 3.960 -0.003 0.000 0.317 248 G C -1.712 173.331 174.900 0.239 0.000 1.230 248 G CA -0.360 44.826 45.100 0.144 0.000 0.996 248 G HN 0.383 nan 8.290 nan 0.000 0.490 249 F N -0.149 119.831 119.950 0.051 0.000 2.622 249 F HA 0.510 5.035 4.527 -0.003 0.000 0.318 249 F C -1.659 174.200 175.800 0.098 0.000 1.135 249 F CA -0.811 57.240 58.000 0.086 0.000 1.015 249 F CB 2.556 41.618 39.000 0.103 0.000 1.275 249 F HN 0.582 nan 8.300 nan 0.000 0.457 250 D N 3.139 123.257 120.400 -0.470 0.000 2.819 250 D HA 0.418 5.057 4.640 -0.003 0.000 0.232 250 D C 0.395 176.489 176.300 -0.344 0.000 1.160 250 D CA -0.609 53.276 54.000 -0.191 0.000 0.858 250 D CB 2.170 42.957 40.800 -0.022 0.000 1.610 250 D HN 0.378 nan 8.370 nan 0.000 0.481 251 V N 2.202 122.082 119.914 -0.057 0.000 2.809 251 V HA 0.014 4.132 4.120 -0.003 0.000 0.256 251 V C 1.907 178.029 176.094 0.047 0.000 1.080 251 V CA 1.379 63.662 62.300 -0.028 0.000 1.102 251 V CB -0.511 31.302 31.823 -0.017 0.000 0.705 251 V HN 0.612 nan 8.190 nan 0.000 0.475 252 R N 0.497 121.089 120.500 0.155 0.000 2.075 252 R HA 0.218 4.556 4.340 -0.003 0.000 0.220 252 R C 2.278 178.622 176.300 0.074 0.000 1.118 252 R CA 1.293 57.419 56.100 0.044 0.000 0.986 252 R CB -0.404 29.719 30.300 -0.295 0.000 0.884 252 R HN 0.522 nan 8.270 nan 0.000 0.439 253 A N 0.118 123.012 122.820 0.123 0.000 1.975 253 A HA 0.265 4.583 4.320 -0.003 0.000 0.215 253 A C 1.235 178.900 177.584 0.136 0.000 1.170 253 A CA 1.205 53.342 52.037 0.166 0.000 0.656 253 A CB -0.459 18.560 19.000 0.032 0.000 0.821 253 A HN 0.645 nan 8.150 nan 0.000 0.449 254 G N -0.722 108.029 108.800 -0.081 0.000 2.509 254 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.256 254 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.256 254 G C 0.220 175.022 174.900 -0.163 0.000 1.152 254 G CA -0.088 44.905 45.100 -0.178 0.000 0.951 254 G HN 0.952 nan 8.290 nan 0.000 0.559 255 I N 0.953 121.643 120.570 0.200 0.000 2.648 255 I HA 0.426 4.594 4.170 -0.003 0.000 0.284 255 I C 0.142 176.346 176.117 0.145 0.000 1.153 255 I CA -0.159 61.288 61.300 0.246 0.000 1.426 255 I CB 0.524 38.705 38.000 0.301 0.000 1.381 255 I HN 0.442 nan 8.210 nan 0.000 0.571 256 V N 8.541 128.499 119.914 0.074 0.000 2.577 256 V HA 0.411 4.529 4.120 -0.003 0.000 0.303 256 V C -0.190 175.862 176.094 -0.071 0.000 1.042 256 V CA -0.692 61.617 62.300 0.015 0.000 0.872 256 V CB 1.687 33.496 31.823 -0.023 0.000 0.998 256 V HN 0.415 nan 8.190 nan 0.000 0.423 257 I N 3.392 123.817 120.570 -0.241 0.000 2.377 257 I HA 0.640 4.809 4.170 -0.003 0.000 0.293 257 I C 0.272 176.292 176.117 -0.161 0.000 0.987 257 I CA 0.207 61.331 61.300 -0.294 0.000 1.185 257 I CB 1.770 39.311 38.000 -0.764 0.000 1.341 257 I HN 0.601 nan 8.210 nan 0.000 0.455 258 S N 5.347 121.028 115.700 -0.031 0.000 2.627 258 S HA 0.635 5.103 4.470 -0.003 0.000 0.283 258 S C 0.058 174.645 174.600 -0.021 0.000 1.127 258 S CA -0.649 57.489 58.200 -0.103 0.000 0.863 258 S CB 2.236 65.353 63.200 -0.139 0.000 1.121 258 S HN 0.593 nan 8.310 nan 0.000 0.479 259 L N -0.239 120.908 121.223 -0.126 0.000 3.597 259 L HA -0.234 4.105 4.340 -0.003 0.000 0.440 259 L C 0.252 177.229 176.870 0.179 0.000 1.277 259 L CA 0.195 55.050 54.840 0.026 0.000 0.852 259 L CB -1.720 40.356 42.059 0.028 0.000 1.708 259 L HN 0.713 nan 8.230 nan 0.000 0.885 260 A N 0.127 123.065 122.820 0.197 0.000 2.276 260 A HA 0.696 5.014 4.320 -0.003 0.000 0.300 260 A C 0.417 178.284 177.584 0.471 0.000 1.235 260 A CA 0.075 52.330 52.037 0.364 0.000 0.867 260 A CB 1.099 20.243 19.000 0.241 0.000 1.137 260 A HN 0.231 nan 8.150 nan 0.000 0.527 261 S N 1.363 117.385 115.700 0.537 0.000 2.526 261 S HA 0.699 5.167 4.470 -0.003 0.000 0.293 261 S C -0.840 173.922 174.600 0.269 0.000 1.092 261 S CA -0.399 58.030 58.200 0.382 0.000 0.980 261 S CB 1.221 64.596 63.200 0.291 0.000 1.048 261 S HN 0.730 nan 8.310 nan 0.000 0.483 262 I N 2.697 123.280 120.570 0.021 0.000 2.545 262 I HA 0.480 4.648 4.170 -0.003 0.000 0.292 262 I C -1.503 174.656 176.117 0.070 0.000 1.040 262 I CA -0.953 60.213 61.300 -0.223 0.000 1.068 262 I CB 1.196 38.769 38.000 -0.712 0.000 1.251 262 I HN 0.711 nan 8.210 nan 0.000 0.424 263 Y N 6.756 127.032 120.300 -0.040 0.000 2.436 263 Y HA 0.179 4.728 4.550 -0.002 0.000 0.336 263 Y C -0.013 175.915 175.900 0.047 0.000 1.049 263 Y CA -0.099 58.015 58.100 0.022 0.000 1.294 263 Y CB 0.439 38.905 38.460 0.009 0.000 1.179 263 Y HN 0.454 nan 8.280 nan 0.000 0.520 264 D N 6.524 126.676 120.400 -0.413 0.000 2.393 264 D HA 0.003 4.641 4.640 -0.003 0.000 0.232 264 D C 0.851 176.785 176.300 -0.611 0.000 1.192 264 D CA -0.069 53.767 54.000 -0.273 0.000 0.882 264 D CB 0.896 41.615 40.800 -0.135 0.000 1.038 264 D HN 0.784 nan 8.370 nan 0.000 0.499 265 L N 4.292 125.298 121.223 -0.362 0.000 2.127 265 L HA -0.127 4.212 4.340 -0.003 0.000 0.211 265 L C 1.918 178.557 176.870 -0.386 0.000 1.089 265 L CA 1.688 56.382 54.840 -0.242 0.000 0.757 265 L CB -0.107 41.917 42.059 -0.057 0.000 0.899 265 L HN 0.485 nan 8.230 nan 0.000 0.434 266 E N -0.578 119.401 120.200 -0.368 0.000 2.060 266 E HA -0.142 4.206 4.350 -0.003 0.000 0.189 266 E C 1.817 178.068 176.600 -0.581 0.000 0.974 266 E CA 0.725 56.906 56.400 -0.365 0.000 0.808 266 E CB 0.159 29.754 29.700 -0.174 0.000 0.768 266 E HN 0.481 nan 8.360 nan 0.000 0.453 267 K N -0.216 119.906 120.400 -0.463 0.000 2.444 267 K HA 0.010 4.328 4.320 -0.003 0.000 0.193 267 K C -0.558 175.792 176.600 -0.416 0.000 1.024 267 K CA 0.140 56.213 56.287 -0.357 0.000 1.077 267 K CB -0.055 32.316 32.500 -0.214 0.000 0.833 267 K HN 0.238 nan 8.250 nan 0.000 0.517 268 H N 0.148 119.079 119.070 -0.232 0.000 2.604 268 H HA -0.184 4.370 4.556 -0.003 0.000 0.321 268 H C -0.603 174.596 175.328 -0.216 0.000 1.132 268 H CA 0.741 56.659 56.048 -0.217 0.000 1.129 268 H CB -1.242 28.543 29.762 0.038 0.000 1.526 268 H HN 0.071 nan 8.280 nan 0.000 0.415 269 K N 0.224 120.330 120.400 -0.490 0.000 2.527 269 K HA 0.505 4.823 4.320 -0.003 0.000 0.260 269 K C -0.585 175.965 176.600 -0.083 0.000 0.937 269 K CA -0.784 55.443 56.287 -0.100 0.000 0.826 269 K CB 2.620 35.072 32.500 -0.079 0.000 1.359 269 K HN 0.081 nan 8.250 nan 0.000 0.434 270 S N 1.562 117.389 115.700 0.210 0.000 2.513 270 S HA 0.409 4.877 4.470 -0.003 0.000 0.276 270 S C -0.794 173.894 174.600 0.146 0.000 1.254 270 S CA -0.445 57.898 58.200 0.239 0.000 1.053 270 S CB 0.343 63.697 63.200 0.257 0.000 0.958 270 S HN 0.419 nan 8.310 nan 0.000 0.491 271 R N 2.988 123.586 120.500 0.164 0.000 2.621 271 R HA 0.407 4.745 4.340 -0.003 0.000 0.292 271 R C -0.622 175.833 176.300 0.260 0.000 0.969 271 R CA -0.845 55.368 56.100 0.188 0.000 0.887 271 R CB 1.673 32.081 30.300 0.181 0.000 1.180 271 R HN 0.576 nan 8.270 nan 0.000 0.450 272 R N 1.208 121.853 120.500 0.243 0.000 2.491 272 R HA 0.125 4.464 4.340 -0.003 0.000 0.283 272 R C 0.426 176.875 176.300 0.249 0.000 1.072 272 R CA -0.091 56.154 56.100 0.241 0.000 1.048 272 R CB 0.871 31.295 30.300 0.206 0.000 0.983 272 R HN 0.409 nan 8.270 nan 0.000 0.450 273 V N 2.748 122.786 119.914 0.207 0.000 3.134 273 V HA 0.120 4.239 4.120 -0.003 0.000 0.222 273 V C -0.314 175.864 176.094 0.140 0.000 1.247 273 V CA 0.090 62.438 62.300 0.080 0.000 1.281 273 V CB 0.088 31.908 31.823 -0.005 0.000 1.169 273 V HN 0.424 nan 8.190 nan 0.000 0.512 274 L N -0.626 120.680 121.223 0.139 0.000 2.349 274 L HA 0.465 4.803 4.340 -0.003 0.000 0.278 274 L C 0.413 177.336 176.870 0.088 0.000 0.996 274 L CA -0.495 54.366 54.840 0.034 0.000 0.825 274 L CB 1.468 43.472 42.059 -0.092 0.000 1.243 274 L HN 0.300 nan 8.230 nan 0.000 0.412 275 Y N 4.561 124.858 120.300 -0.005 0.000 2.163 275 Y HA 0.059 4.608 4.550 -0.003 0.000 0.288 275 Y C 0.607 176.526 175.900 0.031 0.000 1.136 275 Y CA 1.523 59.635 58.100 0.019 0.000 1.147 275 Y CB 0.306 38.759 38.460 -0.011 0.000 0.987 275 Y HN 0.628 nan 8.280 nan 0.000 0.509 276 K N -0.438 119.970 120.400 0.013 0.000 2.542 276 K HA 0.528 4.846 4.320 -0.003 0.000 0.259 276 K C -1.405 175.220 176.600 0.041 0.000 0.932 276 K CA -0.410 55.873 56.287 -0.006 0.000 0.820 276 K CB 1.664 34.290 32.500 0.210 0.000 1.345 276 K HN 0.196 nan 8.250 nan 0.000 0.432 277 G N 2.516 111.297 108.800 -0.031 0.000 2.667 277 G HA2 0.711 4.669 3.960 -0.003 0.000 0.298 277 G HA3 0.711 4.669 3.960 -0.003 0.000 0.298 277 G C -2.007 172.972 174.900 0.132 0.000 1.377 277 G CA -0.664 44.444 45.100 0.013 0.000 0.964 277 G HN 0.609 nan 8.290 nan 0.000 0.493 278 Y N -0.869 119.585 120.300 0.255 0.000 2.741 278 Y HA 0.648 5.196 4.550 -0.003 0.000 0.339 278 Y C -0.957 175.035 175.900 0.153 0.000 1.226 278 Y CA -1.737 56.491 58.100 0.214 0.000 1.072 278 Y CB 0.742 39.215 38.460 0.023 0.000 1.331 278 Y HN 0.531 nan 8.280 nan 0.000 0.453 279 I N 2.233 122.903 120.570 0.166 0.000 2.416 279 I HA 0.167 4.336 4.170 -0.003 0.000 0.288 279 I C 1.041 177.232 176.117 0.123 0.000 1.051 279 I CA 0.225 61.450 61.300 -0.126 0.000 1.375 279 I CB 1.691 39.538 38.000 -0.255 0.000 1.407 279 I HN 0.862 nan 8.210 nan 0.000 0.516 280 S N 4.143 119.900 115.700 0.095 0.000 2.486 280 S HA 0.102 4.570 4.470 -0.003 0.000 0.220 280 S C 0.368 175.072 174.600 0.173 0.000 1.011 280 S CA 0.395 58.778 58.200 0.304 0.000 0.921 280 S CB 0.192 63.572 63.200 0.300 0.000 0.785 280 S HN 0.719 nan 8.310 nan 0.000 0.517 281 E N -0.870 119.304 120.200 -0.042 0.000 2.388 281 E HA 0.619 4.967 4.350 -0.003 0.000 0.281 281 E C -2.078 174.504 176.600 -0.031 0.000 1.046 281 E CA -0.577 55.771 56.400 -0.086 0.000 0.825 281 E CB 0.937 30.465 29.700 -0.287 0.000 1.243 281 E HN 0.182 nan 8.360 nan 0.000 0.438 282 L N 2.011 123.275 121.223 0.068 0.000 2.286 282 L HA 0.789 5.127 4.340 -0.003 0.000 0.265 282 L C -1.058 175.973 176.870 0.270 0.000 1.012 282 L CA -0.761 54.131 54.840 0.087 0.000 0.818 282 L CB 1.309 43.374 42.059 0.010 0.000 1.337 282 L HN 0.566 nan 8.230 nan 0.000 0.438 283 F N 0.916 120.836 119.950 -0.051 0.000 2.881 283 F HA 0.484 5.010 4.527 -0.003 0.000 0.348 283 F C -1.352 174.387 175.800 -0.102 0.000 1.240 283 F CA -0.965 56.889 58.000 -0.244 0.000 1.130 283 F CB 1.115 39.916 39.000 -0.332 0.000 1.417 283 F HN -0.013 nan 8.300 nan 0.000 0.585 284 V N 7.683 127.422 119.914 -0.293 0.000 2.271 284 V HA 0.342 4.460 4.120 -0.003 0.000 0.259 284 V C -2.324 173.526 176.094 -0.407 0.000 1.030 284 V CA -1.318 60.752 62.300 -0.384 0.000 0.957 284 V CB 0.550 32.212 31.823 -0.269 0.000 1.186 284 V HN 0.491 nan 8.190 nan 0.000 0.471 285 P HA 0.269 nan 4.420 nan 0.000 0.282 285 P C -0.861 176.302 177.300 -0.229 0.000 1.262 285 P CA -0.062 62.806 63.100 -0.387 0.000 0.773 285 P CB 0.925 32.303 31.700 -0.538 0.000 0.879 286 Y N 1.496 121.688 120.300 -0.181 0.000 2.334 286 Y HA 0.189 4.737 4.550 -0.003 0.000 0.325 286 Y C 1.821 177.685 175.900 -0.059 0.000 1.308 286 Y CA 0.338 58.351 58.100 -0.145 0.000 1.389 286 Y CB 0.872 39.174 38.460 -0.264 0.000 1.328 286 Y HN 0.301 nan 8.280 nan 0.000 0.532 287 Q N 0.589 120.433 119.800 0.073 0.000 2.115 287 Q HA 0.113 4.452 4.340 -0.003 0.000 0.249 287 Q C -1.132 174.883 176.000 0.025 0.000 0.830 287 Q CA -0.048 55.804 55.803 0.082 0.000 1.104 287 Q CB 0.538 29.364 28.738 0.147 0.000 1.207 287 Q HN 0.546 nan 8.270 nan 0.000 0.464 288 D N 2.164 122.552 120.400 -0.020 0.000 2.412 288 D HA 0.174 4.812 4.640 -0.003 0.000 0.224 288 D C -1.699 174.556 176.300 -0.074 0.000 1.093 288 D CA -1.885 52.021 54.000 -0.156 0.000 0.850 288 D CB 1.715 42.504 40.800 -0.018 0.000 1.046 288 D HN -0.069 nan 8.370 nan 0.000 0.507 289 P HA -0.005 nan 4.420 nan 0.000 0.245 289 P C 0.531 177.849 177.300 0.029 0.000 1.212 289 P CA 0.165 63.247 63.100 -0.031 0.000 0.774 289 P CB -0.130 31.520 31.700 -0.083 0.000 0.999 290 T N -3.193 111.380 114.554 0.032 0.000 2.788 290 T HA 0.136 4.484 4.350 -0.003 0.000 0.287 290 T C 1.300 176.126 174.700 0.210 0.000 1.007 290 T CA -0.424 61.730 62.100 0.090 0.000 1.005 290 T CB 0.988 69.921 68.868 0.108 0.000 1.012 290 T HN -0.147 nan 8.240 nan 0.000 0.530 291 E N 0.105 120.396 120.200 0.152 0.000 2.209 291 E HA -0.171 4.177 4.350 -0.003 0.000 0.196 291 E C 1.896 178.669 176.600 0.287 0.000 0.993 291 E CA 1.306 57.846 56.400 0.234 0.000 0.819 291 E CB -0.156 29.578 29.700 0.056 0.000 0.745 291 E HN 0.857 nan 8.360 nan 0.000 0.477 292 E N -0.997 119.283 120.200 0.134 0.000 2.153 292 E HA -0.139 4.209 4.350 -0.003 0.000 0.194 292 E C 0.753 177.194 176.600 -0.264 0.000 0.988 292 E CA 1.127 57.483 56.400 -0.073 0.000 0.811 292 E CB 0.031 29.670 29.700 -0.102 0.000 0.746 292 E HN 0.175 nan 8.360 nan 0.000 0.466 293 F N -2.398 117.585 119.950 0.056 0.000 2.974 293 F HA 0.122 4.648 4.527 -0.003 0.000 0.357 293 F C 0.772 176.290 175.800 -0.469 0.000 1.114 293 F CA -0.352 57.444 58.000 -0.339 0.000 1.099 293 F CB -0.215 38.656 39.000 -0.215 0.000 1.205 293 F HN 0.054 nan 8.300 nan 0.000 0.535 294 Y N 0.767 121.060 120.300 -0.011 0.000 2.228 294 Y HA -0.313 4.235 4.550 -0.003 0.000 0.285 294 Y C 1.776 177.708 175.900 0.054 0.000 1.178 294 Y CA 1.726 59.827 58.100 0.002 0.000 1.202 294 Y CB -1.733 36.697 38.460 -0.050 0.000 0.974 294 Y HN 0.174 nan 8.280 nan 0.000 0.527 295 F N -0.062 119.351 119.950 -0.895 0.000 2.789 295 F HA 0.367 4.893 4.527 -0.003 0.000 0.300 295 F C 0.891 176.766 175.800 0.126 0.000 1.132 295 F CA -0.873 56.875 58.000 -0.420 0.000 1.404 295 F CB -0.357 38.235 39.000 -0.680 0.000 1.114 295 F HN -0.186 nan 8.300 nan 0.000 0.584 296 K N 2.577 122.529 120.400 -0.747 0.000 2.220 296 K HA 0.182 4.501 4.320 -0.003 0.000 0.283 296 K C -0.277 176.335 176.600 0.019 0.000 1.098 296 K CA 0.297 56.379 56.287 -0.343 0.000 0.928 296 K CB -0.126 31.961 32.500 -0.688 0.000 1.214 296 K HN 0.364 nan 8.250 nan 0.000 0.442 297 T N 1.789 116.521 114.554 0.297 0.000 3.686 297 T HA 0.228 4.577 4.350 -0.003 0.000 0.248 297 T C -0.352 174.695 174.700 0.577 0.000 1.090 297 T CA -0.781 61.524 62.100 0.341 0.000 1.659 297 T CB -0.454 68.664 68.868 0.417 0.000 0.780 297 T HN 0.053 nan 8.240 nan 0.000 0.632 298 F N 1.864 121.937 119.950 0.204 0.000 2.595 298 F HA 0.401 4.926 4.527 -0.003 0.000 0.359 298 F C 0.424 176.398 175.800 0.289 0.000 1.147 298 F CA -1.092 57.104 58.000 0.326 0.000 1.341 298 F CB -0.074 39.054 39.000 0.215 0.000 1.104 298 F HN 0.423 nan 8.300 nan 0.000 0.603 299 F N 2.241 122.483 119.950 0.485 0.000 2.449 299 F HA 0.266 4.791 4.527 -0.003 0.000 0.329 299 F C 1.065 177.068 175.800 0.340 0.000 1.245 299 F CA -1.037 57.188 58.000 0.375 0.000 1.193 299 F CB -0.191 38.958 39.000 0.247 0.000 1.425 299 F HN 0.295 nan 8.300 nan 0.000 0.544 300 D N 0.037 120.749 120.400 0.520 0.000 2.133 300 D HA -0.205 4.433 4.640 -0.003 0.000 0.192 300 D C 2.071 178.672 176.300 0.502 0.000 1.001 300 D CA 1.935 56.270 54.000 0.558 0.000 0.844 300 D CB -0.120 41.033 40.800 0.587 0.000 0.944 300 D HN 0.272 nan 8.370 nan 0.000 0.447 301 S N -0.080 115.809 115.700 0.314 0.000 2.356 301 S HA -0.074 4.394 4.470 -0.003 0.000 0.223 301 S C 2.182 176.842 174.600 0.100 0.000 1.032 301 S CA 1.256 59.572 58.200 0.193 0.000 1.005 301 S CB -0.763 62.406 63.200 -0.051 0.000 0.867 301 S HN 0.443 nan 8.310 nan 0.000 0.449 302 G N 0.980 109.826 108.800 0.075 0.000 2.422 302 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.218 302 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.218 302 G C 1.260 176.140 174.900 -0.033 0.000 1.140 302 G CA 0.504 45.583 45.100 -0.036 0.000 0.775 302 G HN 0.539 nan 8.290 nan 0.000 0.545 303 E N -1.217 118.999 120.200 0.027 0.000 2.251 303 E HA 0.181 4.529 4.350 -0.003 0.000 0.194 303 E C 1.240 177.620 176.600 -0.367 0.000 0.964 303 E CA 0.244 56.518 56.400 -0.209 0.000 0.868 303 E CB 0.189 29.701 29.700 -0.313 0.000 0.828 303 E HN 0.528 nan 8.360 nan 0.000 0.481 304 F N -0.362 119.634 119.950 0.076 0.000 2.819 304 F HA 0.327 4.852 4.527 -0.003 0.000 0.325 304 F C 0.700 176.569 175.800 0.114 0.000 1.041 304 F CA 0.250 58.302 58.000 0.086 0.000 1.184 304 F CB 1.382 40.426 39.000 0.075 0.000 1.019 304 F HN -0.072 nan 8.300 nan 0.000 0.590 305 G N 0.999 109.974 108.800 0.292 0.000 3.396 305 G HA2 -0.264 3.695 3.960 -0.003 0.000 0.682 305 G HA3 -0.264 3.695 3.960 -0.003 0.000 0.682 305 G C 0.040 175.139 174.900 0.332 0.000 0.924 305 G CA -0.531 44.713 45.100 0.241 0.000 0.770 305 G HN 0.052 nan 8.290 nan 0.000 0.484 306 F N 2.621 122.627 119.950 0.093 0.000 2.146 306 F HA 0.088 4.614 4.527 -0.003 0.000 0.298 306 F C 2.771 178.615 175.800 0.074 0.000 1.096 306 F CA 2.497 60.558 58.000 0.103 0.000 1.275 306 F CB -0.589 38.479 39.000 0.112 0.000 1.008 306 F HN 0.639 nan 8.300 nan 0.000 0.480 307 G N -0.047 108.832 108.800 0.130 0.000 2.421 307 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.216 307 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.216 307 G C 1.810 176.826 174.900 0.193 0.000 1.171 307 G CA 0.861 45.955 45.100 -0.011 0.000 0.775 307 G HN 0.343 nan 8.290 nan 0.000 0.543 308 L N 0.943 122.234 121.223 0.112 0.000 2.141 308 L HA -0.028 4.310 4.340 -0.003 0.000 0.209 308 L C 2.544 179.467 176.870 0.088 0.000 1.094 308 L CA 1.052 55.938 54.840 0.076 0.000 0.763 308 L CB -0.098 41.989 42.059 0.046 0.000 0.908 308 L HN 0.139 nan 8.230 nan 0.000 0.437 309 S N -1.586 114.167 115.700 0.088 0.000 2.631 309 S HA 0.035 4.503 4.470 -0.003 0.000 0.217 309 S C 0.754 175.352 174.600 -0.003 0.000 0.958 309 S CA -0.087 58.130 58.200 0.029 0.000 0.920 309 S CB -0.198 62.993 63.200 -0.015 0.000 0.776 309 S HN 0.292 nan 8.310 nan 0.000 0.517 310 T N 3.533 118.127 114.554 0.068 0.000 2.916 310 T HA 0.306 4.654 4.350 -0.003 0.000 0.303 310 T C 0.558 175.283 174.700 0.043 0.000 1.025 310 T CA -0.234 61.916 62.100 0.084 0.000 1.142 310 T CB 0.761 69.788 68.868 0.266 0.000 0.947 310 T HN 0.233 nan 8.240 nan 0.000 0.544 311 V N 1.089 121.013 119.914 0.016 0.000 3.211 311 V HA 0.700 4.819 4.120 -0.003 0.000 0.319 311 V C 0.284 176.372 176.094 -0.010 0.000 1.096 311 V CA -0.987 61.312 62.300 -0.002 0.000 1.029 311 V CB 1.648 33.466 31.823 -0.008 0.000 1.137 311 V HN 0.733 nan 8.190 nan 0.000 0.453 312 S N 1.805 117.486 115.700 -0.032 0.000 2.513 312 S HA 0.600 5.069 4.470 -0.003 0.000 0.276 312 S C -0.218 174.352 174.600 -0.049 0.000 1.254 312 S CA -0.409 57.755 58.200 -0.060 0.000 1.053 312 S CB 0.345 63.490 63.200 -0.092 0.000 0.958 312 S HN 0.585 nan 8.310 nan 0.000 0.491 313 L N 3.795 124.998 121.223 -0.033 0.000 2.380 313 L HA 0.345 4.683 4.340 -0.003 0.000 0.273 313 L C -0.005 176.826 176.870 -0.065 0.000 1.138 313 L CA -0.251 54.602 54.840 0.023 0.000 0.832 313 L CB 0.179 42.364 42.059 0.209 0.000 1.124 313 L HN 0.549 nan 8.230 nan 0.000 0.454 314 I N 4.986 125.541 120.570 -0.026 0.000 2.406 314 I HA 0.129 4.297 4.170 -0.003 0.000 0.293 314 I C -1.913 174.199 176.117 -0.009 0.000 1.101 314 I CA -1.743 59.527 61.300 -0.050 0.000 1.334 314 I CB 0.209 38.194 38.000 -0.025 0.000 1.421 314 I HN 0.340 nan 8.210 nan 0.000 0.513 315 P HA -0.021 nan 4.420 nan 0.000 0.266 315 P C -0.019 177.319 177.300 0.063 0.000 1.193 315 P CA 0.309 63.469 63.100 0.099 0.000 0.770 315 P CB 0.235 31.924 31.700 -0.017 0.000 0.836 316 N N -0.611 118.131 118.700 0.070 0.000 2.900 316 N HA -0.249 4.490 4.740 -0.003 0.000 0.240 316 N C 0.797 176.295 175.510 -0.019 0.000 0.953 316 N CA 0.559 53.612 53.050 0.007 0.000 0.950 316 N CB -0.586 37.910 38.487 0.014 0.000 1.102 316 N HN 0.464 nan 8.380 nan 0.000 0.593 317 R N -0.718 119.772 120.500 -0.016 0.000 2.493 317 R HA 0.139 4.478 4.340 -0.003 0.000 0.177 317 R C 0.715 176.994 176.300 -0.035 0.000 0.861 317 R CA 0.457 56.542 56.100 -0.025 0.000 1.083 317 R CB -0.264 30.028 30.300 -0.014 0.000 1.328 317 R HN 0.110 nan 8.270 nan 0.000 0.615 318 D N 0.127 120.521 120.400 -0.010 0.000 2.333 318 D HA 0.090 4.729 4.640 -0.003 0.000 0.208 318 D C 0.193 176.451 176.300 -0.068 0.000 0.984 318 D CA 0.543 54.538 54.000 -0.009 0.000 0.873 318 D CB 0.579 41.401 40.800 0.036 0.000 0.935 318 D HN 0.052 nan 8.370 nan 0.000 0.521 319 c N 0.559 119.085 118.600 -0.123 0.000 2.888 319 c HA 0.429 4.998 4.570 -0.003 0.000 0.308 319 c C -2.404 171.419 174.090 -0.444 0.000 1.213 319 c CA -1.536 54.546 56.329 -0.412 0.000 1.461 319 c CB 2.462 44.765 42.510 -0.344 0.000 1.934 319 c HN 0.016 nan 8.230 nan 0.000 0.474 320 P HA 0.246 nan 4.420 nan 0.000 0.274 320 P C -2.024 175.082 177.300 -0.323 0.000 1.246 320 P CA -0.903 61.926 63.100 -0.451 0.000 0.795 320 P CB 0.203 31.611 31.700 -0.488 0.000 1.006 321 P HA -0.188 nan 4.420 nan 0.000 0.221 321 P C 0.850 178.202 177.300 0.087 0.000 1.141 321 P CA 1.679 64.807 63.100 0.047 0.000 0.794 321 P CB -0.520 31.250 31.700 0.117 0.000 0.764 322 H N -2.589 116.500 119.070 0.032 0.000 2.549 322 H HA 0.509 5.064 4.556 -0.003 0.000 0.279 322 H C 0.503 175.892 175.328 0.102 0.000 1.018 322 H CA -0.383 55.717 56.048 0.087 0.000 1.175 322 H CB -0.445 29.388 29.762 0.118 0.000 1.485 322 H HN -0.090 nan 8.280 nan 0.000 0.543 323 A N 1.512 124.166 122.820 -0.277 0.000 2.483 323 A HA 0.142 4.461 4.320 -0.003 0.000 0.238 323 A C 0.283 177.714 177.584 -0.254 0.000 1.070 323 A CA -0.174 51.677 52.037 -0.309 0.000 0.770 323 A CB 0.433 19.043 19.000 -0.649 0.000 1.008 323 A HN 0.540 nan 8.150 nan 0.000 0.497 324 Q N 0.013 119.711 119.800 -0.170 0.000 2.256 324 Q HA 0.564 4.903 4.340 -0.003 0.000 0.257 324 Q C -1.596 174.213 176.000 -0.317 0.000 0.936 324 Q CA -0.143 55.620 55.803 -0.065 0.000 0.903 324 Q CB 1.503 30.380 28.738 0.232 0.000 1.263 324 Q HN 0.653 nan 8.270 nan 0.000 0.440 325 F N 1.670 121.635 119.950 0.026 0.000 2.507 325 F HA 0.550 5.075 4.527 -0.003 0.000 0.327 325 F C 0.072 175.846 175.800 -0.044 0.000 1.068 325 F CA -0.742 57.249 58.000 -0.016 0.000 0.965 325 F CB 1.229 40.214 39.000 -0.025 0.000 1.192 325 F HN 0.289 nan 8.300 nan 0.000 0.476 326 I N 2.252 122.900 120.570 0.130 0.000 2.418 326 I HA 0.258 4.426 4.170 -0.003 0.000 0.287 326 I C -1.134 174.967 176.117 -0.025 0.000 1.008 326 I CA -0.876 60.427 61.300 0.006 0.000 1.104 326 I CB 1.589 39.552 38.000 -0.062 0.000 1.264 326 I HN 0.425 nan 8.210 nan 0.000 0.438 327 D N 4.602 124.963 120.400 -0.065 0.000 2.255 327 D HA 0.375 5.013 4.640 -0.003 0.000 0.249 327 D C 0.300 176.476 176.300 -0.206 0.000 1.078 327 D CA 0.066 53.971 54.000 -0.157 0.000 0.896 327 D CB 1.806 42.502 40.800 -0.173 0.000 1.194 327 D HN 0.583 nan 8.370 nan 0.000 0.429 328 T N -1.548 112.791 114.554 -0.358 0.000 2.841 328 T HA 0.571 4.919 4.350 -0.003 0.000 0.276 328 T C -0.770 173.630 174.700 -0.500 0.000 1.003 328 T CA -0.755 61.125 62.100 -0.367 0.000 0.995 328 T CB 0.743 69.157 68.868 -0.757 0.000 1.260 328 T HN 0.185 nan 8.240 nan 0.000 0.581 329 Y N 0.281 120.591 120.300 0.017 0.000 2.341 329 Y HA 0.571 5.119 4.550 -0.003 0.000 0.338 329 Y C 0.447 176.377 175.900 0.050 0.000 0.965 329 Y CA -0.759 57.378 58.100 0.062 0.000 1.108 329 Y CB 1.787 40.412 38.460 0.275 0.000 1.180 329 Y HN 0.766 nan 8.280 nan 0.000 0.458 330 V N 0.071 119.984 119.914 -0.000 0.000 3.302 330 V HA 0.745 4.863 4.120 -0.003 0.000 0.304 330 V C -0.862 174.933 176.094 -0.497 0.000 1.209 330 V CA -0.848 61.356 62.300 -0.161 0.000 1.032 330 V CB 1.785 33.546 31.823 -0.103 0.000 1.219 330 V HN 0.826 nan 8.190 nan 0.000 0.469 331 H N -1.026 117.785 119.070 -0.432 0.000 2.797 331 H HA 0.859 5.413 4.556 -0.003 0.000 0.372 331 H C -0.130 175.068 175.328 -0.217 0.000 1.168 331 H CA -0.180 55.576 56.048 -0.485 0.000 1.163 331 H CB 1.117 30.528 29.762 -0.585 0.000 1.778 331 H HN 0.900 nan 8.280 nan 0.000 0.551 332 S N 0.366 116.088 115.700 0.035 0.000 2.671 332 S HA 0.488 4.956 4.470 -0.003 0.000 0.272 332 S C 1.584 176.281 174.600 0.162 0.000 1.174 332 S CA -0.492 57.748 58.200 0.066 0.000 1.004 332 S CB 0.829 64.042 63.200 0.021 0.000 1.077 332 S HN 0.993 nan 8.310 nan 0.000 0.553 333 A N 1.185 124.057 122.820 0.088 0.000 2.076 333 A HA -0.133 4.186 4.320 -0.003 0.000 0.220 333 A C 1.772 179.454 177.584 0.163 0.000 1.160 333 A CA 1.746 53.820 52.037 0.063 0.000 0.653 333 A CB -1.193 17.792 19.000 -0.024 0.000 0.801 333 A HN 0.910 nan 8.150 nan 0.000 0.455 334 N N -1.590 117.201 118.700 0.151 0.000 2.270 334 N HA 0.263 5.002 4.740 -0.003 0.000 0.198 334 N C 0.927 176.546 175.510 0.183 0.000 1.117 334 N CA 1.023 54.202 53.050 0.215 0.000 0.845 334 N CB -0.175 38.376 38.487 0.106 0.000 0.980 334 N HN 0.708 nan 8.380 nan 0.000 0.486 335 G N -0.942 107.835 108.800 -0.039 0.000 2.176 335 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.253 335 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.253 335 G C -0.056 174.664 174.900 -0.300 0.000 0.979 335 G CA 0.399 45.155 45.100 -0.573 0.000 0.641 335 G HN 0.457 nan 8.290 nan 0.000 0.530 336 T N 3.722 118.195 114.554 -0.135 0.000 2.901 336 T HA 0.462 4.811 4.350 -0.003 0.000 0.301 336 T C -2.068 172.539 174.700 -0.154 0.000 1.012 336 T CA -0.285 61.751 62.100 -0.105 0.000 1.135 336 T CB 1.629 70.469 68.868 -0.046 0.000 0.936 336 T HN 0.162 nan 8.240 nan 0.000 0.539 337 P HA 0.239 nan 4.420 nan 0.000 0.276 337 P C -0.608 176.682 177.300 -0.016 0.000 1.243 337 P CA -0.227 62.746 63.100 -0.212 0.000 0.768 337 P CB 0.360 31.954 31.700 -0.176 0.000 0.856 338 I N 4.427 125.001 120.570 0.005 0.000 2.339 338 I HA 0.227 4.396 4.170 -0.003 0.000 0.290 338 I C 0.589 176.750 176.117 0.073 0.000 0.994 338 I CA -1.119 60.212 61.300 0.051 0.000 1.191 338 I CB 1.446 39.418 38.000 -0.046 0.000 1.343 338 I HN 0.214 nan 8.210 nan 0.000 0.458 339 L N 7.815 129.026 121.223 -0.019 0.000 2.410 339 L HA 0.219 4.557 4.340 -0.003 0.000 0.273 339 L C -0.470 176.217 176.870 -0.305 0.000 1.144 339 L CA -0.016 54.550 54.840 -0.457 0.000 0.863 339 L CB 0.712 42.597 42.059 -0.289 0.000 1.140 339 L HN 0.506 nan 8.230 nan 0.000 0.463 340 L N 6.021 127.012 121.223 -0.387 0.000 2.335 340 L HA 0.442 4.781 4.340 -0.003 0.000 0.268 340 L C -0.349 176.374 176.870 -0.244 0.000 1.037 340 L CA -0.360 54.333 54.840 -0.245 0.000 0.895 340 L CB -0.001 41.925 42.059 -0.223 0.000 1.266 340 L HN 0.473 nan 8.230 nan 0.000 0.439 341 K N 3.345 123.627 120.400 -0.196 0.000 2.414 341 K HA 0.084 4.402 4.320 -0.003 0.000 0.272 341 K C 0.259 176.760 176.600 -0.166 0.000 0.993 341 K CA 0.027 56.206 56.287 -0.180 0.000 0.964 341 K CB 0.210 32.612 32.500 -0.163 0.000 0.925 341 K HN 0.642 nan 8.250 nan 0.000 0.487 342 N N 0.415 119.027 118.700 -0.146 0.000 2.705 342 N HA -0.233 4.506 4.740 -0.003 0.000 0.255 342 N C 0.383 175.895 175.510 0.003 0.000 1.008 342 N CA 1.004 53.999 53.050 -0.091 0.000 0.742 342 N CB -1.189 37.055 38.487 -0.406 0.000 0.906 342 N HN 0.699 nan 8.380 nan 0.000 0.541 343 A N -0.650 122.148 122.820 -0.037 0.000 2.016 343 A HA 0.240 4.558 4.320 -0.003 0.000 0.217 343 A C 0.833 178.447 177.584 0.051 0.000 1.162 343 A CA 0.766 52.771 52.037 -0.054 0.000 0.662 343 A CB 0.416 19.262 19.000 -0.257 0.000 0.812 343 A HN 0.413 nan 8.150 nan 0.000 0.450 344 I N -0.112 120.509 120.570 0.086 0.000 2.569 344 I HA 0.327 4.495 4.170 -0.003 0.000 0.290 344 I C -0.577 175.600 176.117 0.099 0.000 1.088 344 I CA -0.961 60.402 61.300 0.104 0.000 1.047 344 I CB 2.161 40.202 38.000 0.068 0.000 1.237 344 I HN 0.344 nan 8.210 nan 0.000 0.421 345 c N 4.354 122.973 118.600 0.031 0.000 2.529 345 c HA 0.907 5.475 4.570 -0.003 0.000 0.329 345 c C -0.406 173.599 174.090 -0.142 0.000 1.194 345 c CA -0.693 55.518 56.329 -0.196 0.000 1.779 345 c CB 1.225 43.441 42.510 -0.489 0.000 2.322 345 c HN 0.516 nan 8.230 nan 0.000 0.500 346 V N 3.183 122.934 119.914 -0.272 0.000 2.487 346 V HA 0.802 4.920 4.120 -0.003 0.000 0.298 346 V C -0.439 175.422 176.094 -0.387 0.000 1.028 346 V CA -0.065 61.955 62.300 -0.466 0.000 0.860 346 V CB 1.059 32.425 31.823 -0.763 0.000 0.991 346 V HN 0.977 nan 8.190 nan 0.000 0.427 347 F N 1.168 120.832 119.950 -0.477 0.000 2.654 347 F HA 0.729 5.254 4.527 -0.003 0.000 0.308 347 F C -0.606 175.154 175.800 -0.066 0.000 1.108 347 F CA -1.271 56.597 58.000 -0.219 0.000 0.957 347 F CB 1.420 40.231 39.000 -0.315 0.000 1.309 347 F HN 0.376 nan 8.300 nan 0.000 0.446 348 E N 1.863 122.315 120.200 0.419 0.000 2.259 348 E HA 0.187 4.535 4.350 -0.003 0.000 0.281 348 E C -0.982 175.894 176.600 0.460 0.000 1.027 348 E CA -0.771 55.812 56.400 0.304 0.000 0.838 348 E CB 1.395 31.369 29.700 0.458 0.000 1.066 348 E HN 0.545 nan 8.360 nan 0.000 0.401 349 Q N 3.669 123.556 119.800 0.146 0.000 2.293 349 Q HA 0.207 4.545 4.340 -0.003 0.000 0.261 349 Q C -1.502 174.511 176.000 0.022 0.000 0.960 349 Q CA -0.506 55.430 55.803 0.222 0.000 0.882 349 Q CB 0.783 29.601 28.738 0.134 0.000 1.275 349 Q HN 0.525 nan 8.270 nan 0.000 0.445 350 Y N 0.481 120.865 120.300 0.140 0.000 2.496 350 Y HA 0.478 5.026 4.550 -0.003 0.000 0.331 350 Y C 1.267 177.211 175.900 0.074 0.000 1.140 350 Y CA 0.713 58.872 58.100 0.099 0.000 1.166 350 Y CB 2.175 40.676 38.460 0.069 0.000 1.249 350 Y HN 0.887 nan 8.280 nan 0.000 0.479 351 G N 1.104 110.024 108.800 0.199 0.000 2.194 351 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.236 351 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.236 351 G C -0.269 174.674 174.900 0.072 0.000 0.987 351 G CA -0.474 44.704 45.100 0.130 0.000 0.635 351 G HN 0.541 nan 8.290 nan 0.000 0.520 352 N N 0.427 119.159 118.700 0.052 0.000 2.530 352 N HA 0.529 5.268 4.740 -0.003 0.000 0.273 352 N C 0.598 176.116 175.510 0.014 0.000 1.173 352 N CA -0.201 52.869 53.050 0.033 0.000 0.967 352 N CB 0.721 39.227 38.487 0.032 0.000 1.109 352 N HN 0.343 nan 8.380 nan 0.000 0.453 353 I N 2.243 122.821 120.570 0.013 0.000 2.533 353 I HA -0.009 4.159 4.170 -0.003 0.000 0.284 353 I C 1.723 177.836 176.117 -0.006 0.000 1.109 353 I CA 0.057 61.352 61.300 -0.009 0.000 1.412 353 I CB 0.686 38.694 38.000 0.013 0.000 1.396 353 I HN 0.565 nan 8.210 nan 0.000 0.543 354 M N 7.981 127.536 119.600 -0.075 0.000 2.248 354 M HA 0.070 4.548 4.480 -0.003 0.000 0.265 354 M C -0.290 176.067 176.300 0.096 0.000 1.079 354 M CA 1.362 56.636 55.300 -0.043 0.000 1.150 354 M CB 0.462 32.951 32.600 -0.185 0.000 1.366 354 M HN 0.655 nan 8.290 nan 0.000 0.433 355 W N -0.144 121.172 121.300 0.026 0.000 3.064 355 W HA 0.460 5.119 4.660 -0.003 0.000 0.328 355 W C -1.906 174.636 176.519 0.039 0.000 1.210 355 W CA -1.067 56.294 57.345 0.027 0.000 1.178 355 W CB 0.070 29.539 29.460 0.016 0.000 1.416 355 W HN 0.216 nan 8.180 nan 0.000 0.568 356 R N 1.217 122.019 120.500 0.503 0.000 2.712 356 R HA 0.668 5.007 4.340 -0.003 0.000 0.272 356 R C -2.481 174.066 176.300 0.412 0.000 1.032 356 R CA -0.909 55.418 56.100 0.379 0.000 0.874 356 R CB 2.341 32.737 30.300 0.159 0.000 1.256 356 R HN 0.617 nan 8.270 nan 0.000 0.468 357 H N -0.153 119.045 119.070 0.212 0.000 3.087 357 H HA 0.386 4.940 4.556 -0.003 0.000 0.348 357 H C -1.653 173.731 175.328 0.094 0.000 1.092 357 H CA -0.240 55.888 56.048 0.132 0.000 1.285 357 H CB 2.599 32.427 29.762 0.110 0.000 1.875 357 H HN 0.718 nan 8.280 nan 0.000 0.512 358 T N 4.150 118.457 114.554 -0.411 0.000 2.770 358 T HA 0.206 4.554 4.350 -0.003 0.000 0.297 358 T C -0.286 174.027 174.700 -0.644 0.000 0.997 358 T CA -0.611 61.270 62.100 -0.366 0.000 0.949 358 T CB 0.656 69.418 68.868 -0.176 0.000 0.941 358 T HN 0.482 nan 8.240 nan 0.000 0.457 359 E N 2.729 122.714 120.200 -0.359 0.000 2.081 359 E HA 0.267 4.615 4.350 -0.003 0.000 0.276 359 E C 0.242 176.796 176.600 -0.076 0.000 0.950 359 E CA -0.196 56.096 56.400 -0.181 0.000 0.776 359 E CB 0.238 29.953 29.700 0.025 0.000 1.094 359 E HN 0.542 nan 8.360 nan 0.000 0.402 360 N N 2.136 120.800 118.700 -0.060 0.000 2.205 360 N HA 0.127 4.865 4.740 -0.003 0.000 0.201 360 N C 1.122 176.631 175.510 -0.001 0.000 1.128 360 N CA 0.223 53.257 53.050 -0.027 0.000 0.867 360 N CB 0.821 39.291 38.487 -0.028 0.000 0.996 360 N HN 0.548 nan 8.380 nan 0.000 0.503 361 G N 0.164 108.973 108.800 0.015 0.000 2.920 361 G HA2 0.136 4.094 3.960 -0.003 0.000 0.208 361 G HA3 0.136 4.094 3.960 -0.003 0.000 0.208 361 G C 0.299 175.211 174.900 0.019 0.000 1.159 361 G CA 0.044 45.158 45.100 0.023 0.000 0.784 361 G HN 0.157 nan 8.290 nan 0.000 0.535 362 I N 1.619 122.199 120.570 0.017 0.000 2.330 362 I HA 0.252 4.420 4.170 -0.003 0.000 0.289 362 I C -2.287 173.835 176.117 0.009 0.000 1.001 362 I CA -2.249 59.060 61.300 0.014 0.000 1.193 362 I CB 2.144 40.155 38.000 0.017 0.000 1.345 362 I HN -0.180 nan 8.210 nan 0.000 0.461 363 P HA 0.015 nan 4.420 nan 0.000 0.262 363 P C -0.224 177.079 177.300 0.005 0.000 1.182 363 P CA 0.365 63.468 63.100 0.005 0.000 0.761 363 P CB 0.212 31.915 31.700 0.004 0.000 0.795 364 N N -0.399 118.304 118.700 0.004 0.000 2.741 364 N HA -0.225 4.513 4.740 -0.003 0.000 0.250 364 N C -0.185 175.328 175.510 0.004 0.000 1.115 364 N CA 1.161 54.213 53.050 0.004 0.000 0.724 364 N CB -1.332 37.157 38.487 0.004 0.000 1.090 364 N HN 0.589 nan 8.380 nan 0.000 0.558 365 E N 0.276 120.479 120.200 0.005 0.000 2.290 365 E HA 0.490 4.838 4.350 -0.003 0.000 0.274 365 E C -1.119 175.483 176.600 0.003 0.000 0.889 365 E CA -0.672 55.732 56.400 0.006 0.000 0.760 365 E CB 1.206 30.912 29.700 0.010 0.000 1.206 365 E HN 0.179 nan 8.360 nan 0.000 0.419 366 S N 5.221 120.923 115.700 0.004 0.000 2.640 366 S HA 0.628 5.097 4.470 -0.003 0.000 0.320 366 S C -0.615 173.988 174.600 0.004 0.000 1.097 366 S CA -0.870 57.329 58.200 -0.001 0.000 1.092 366 S CB 0.389 63.587 63.200 -0.003 0.000 0.988 366 S HN 0.384 nan 8.310 nan 0.000 0.470 367 I N 3.504 124.075 120.570 0.001 0.000 2.433 367 I HA 0.590 4.759 4.170 -0.003 0.000 0.292 367 I C -0.077 176.040 176.117 -0.000 0.000 1.001 367 I CA -0.616 60.693 61.300 0.015 0.000 1.119 367 I CB 1.343 39.364 38.000 0.035 0.000 1.289 367 I HN 0.983 nan 8.210 nan 0.000 0.438 368 E N 4.024 124.235 120.200 0.018 0.000 2.352 368 E HA 0.716 5.064 4.350 -0.003 0.000 0.280 368 E C -1.519 175.115 176.600 0.058 0.000 0.930 368 E CA -0.898 55.512 56.400 0.016 0.000 0.765 368 E CB 2.948 32.642 29.700 -0.009 0.000 1.219 368 E HN 0.415 nan 8.360 nan 0.000 0.434 369 E N 1.293 121.552 120.200 0.098 0.000 2.290 369 E HA 0.467 4.815 4.350 -0.003 0.000 0.274 369 E C -2.023 174.625 176.600 0.080 0.000 0.889 369 E CA -0.513 55.955 56.400 0.113 0.000 0.760 369 E CB 2.430 32.270 29.700 0.233 0.000 1.206 369 E HN 0.421 nan 8.360 nan 0.000 0.419 370 S N 3.908 119.584 115.700 -0.040 0.000 2.619 370 S HA 0.630 5.098 4.470 -0.003 0.000 0.280 370 S C -1.385 173.070 174.600 -0.241 0.000 1.150 370 S CA -0.727 57.410 58.200 -0.105 0.000 0.978 370 S CB 0.542 63.714 63.200 -0.047 0.000 1.041 370 S HN 0.473 nan 8.310 nan 0.000 0.485 371 R N 1.886 122.130 120.500 -0.425 0.000 2.686 371 R HA 0.590 4.928 4.340 -0.003 0.000 0.286 371 R C -0.538 175.569 176.300 -0.322 0.000 0.969 371 R CA -0.755 55.061 56.100 -0.472 0.000 0.898 371 R CB 2.042 31.796 30.300 -0.910 0.000 1.183 371 R HN 0.722 nan 8.270 nan 0.000 0.456 372 T N -1.378 113.061 114.554 -0.192 0.000 2.945 372 T HA 0.399 4.747 4.350 -0.003 0.000 0.286 372 T C -0.105 174.542 174.700 -0.089 0.000 1.025 372 T CA -1.019 61.017 62.100 -0.107 0.000 1.039 372 T CB 1.736 70.586 68.868 -0.030 0.000 1.068 372 T HN 0.636 nan 8.240 nan 0.000 0.497 373 E N 0.333 120.505 120.200 -0.047 0.000 2.207 373 E HA 0.601 4.949 4.350 -0.003 0.000 0.270 373 E C -1.306 175.271 176.600 -0.038 0.000 0.927 373 E CA -1.234 55.155 56.400 -0.018 0.000 0.799 373 E CB 1.746 31.462 29.700 0.028 0.000 1.172 373 E HN 0.369 nan 8.360 nan 0.000 0.404 374 V N 3.082 122.971 119.914 -0.041 0.000 2.383 374 V HA 0.223 4.341 4.120 -0.003 0.000 0.275 374 V C -0.256 175.971 176.094 0.221 0.000 1.036 374 V CA -0.802 61.424 62.300 -0.124 0.000 0.889 374 V CB 0.627 32.316 31.823 -0.223 0.000 0.985 374 V HN 0.642 nan 8.190 nan 0.000 0.459 375 N N 3.500 122.257 118.700 0.095 0.000 2.477 375 N HA 0.611 5.349 4.740 -0.003 0.000 0.284 375 N C -0.972 174.386 175.510 -0.253 0.000 1.182 375 N CA -0.596 52.506 53.050 0.086 0.000 0.949 375 N CB 2.581 41.071 38.487 0.004 0.000 1.204 375 N HN 0.476 nan 8.380 nan 0.000 0.526 376 L N 1.500 122.327 121.223 -0.660 0.000 2.325 376 L HA 0.547 4.885 4.340 -0.003 0.000 0.281 376 L C -1.253 175.254 176.870 -0.606 0.000 1.004 376 L CA -0.421 53.855 54.840 -0.941 0.000 0.823 376 L CB 0.828 41.908 42.059 -1.631 0.000 1.236 376 L HN 0.418 nan 8.230 nan 0.000 0.415 377 I N 5.393 125.500 120.570 -0.771 0.000 2.378 377 I HA 0.399 4.567 4.170 -0.003 0.000 0.291 377 I C -0.639 175.085 176.117 -0.655 0.000 0.992 377 I CA -0.465 60.383 61.300 -0.753 0.000 1.154 377 I CB 1.948 39.341 38.000 -1.011 0.000 1.315 377 I HN 0.191 nan 8.210 nan 0.000 0.448 378 V N 6.991 126.749 119.914 -0.259 0.000 2.328 378 V HA 0.474 4.593 4.120 -0.003 0.000 0.278 378 V C 0.080 176.201 176.094 0.046 0.000 1.021 378 V CA -0.605 61.650 62.300 -0.076 0.000 0.838 378 V CB 1.036 32.909 31.823 0.083 0.000 0.999 378 V HN 0.654 nan 8.190 nan 0.000 0.447 379 R N 2.958 123.503 120.500 0.075 0.000 2.637 379 R HA 0.750 5.089 4.340 -0.003 0.000 0.291 379 R C -0.681 175.716 176.300 0.162 0.000 0.963 379 R CA -0.219 55.970 56.100 0.149 0.000 0.901 379 R CB 2.024 32.465 30.300 0.234 0.000 1.160 379 R HN 0.684 nan 8.270 nan 0.000 0.457 380 T N 4.010 118.669 114.554 0.176 0.000 2.900 380 T HA 0.534 4.882 4.350 -0.003 0.000 0.303 380 T C -1.138 173.644 174.700 0.136 0.000 1.142 380 T CA -0.606 61.599 62.100 0.175 0.000 1.007 380 T CB 0.919 69.930 68.868 0.239 0.000 1.156 380 T HN 0.477 nan 8.240 nan 0.000 0.490 381 I N 3.353 123.982 120.570 0.098 0.000 2.465 381 I HA 0.534 4.702 4.170 -0.003 0.000 0.291 381 I C -0.757 175.357 176.117 -0.005 0.000 1.014 381 I CA -1.122 60.204 61.300 0.044 0.000 1.093 381 I CB 2.191 40.208 38.000 0.029 0.000 1.267 381 I HN 0.273 nan 8.210 nan 0.000 0.431 382 V N 4.846 124.706 119.914 -0.090 0.000 2.378 382 V HA 0.332 4.450 4.120 -0.003 0.000 0.288 382 V C -0.057 175.921 176.094 -0.194 0.000 1.016 382 V CA -0.358 61.802 62.300 -0.234 0.000 0.840 382 V CB 1.661 33.083 31.823 -0.668 0.000 0.994 382 V HN 0.738 nan 8.190 nan 0.000 0.431 383 T N 4.684 119.160 114.554 -0.130 0.000 2.756 383 T HA 0.447 4.795 4.350 -0.003 0.000 0.290 383 T C -0.183 174.455 174.700 -0.104 0.000 0.985 383 T CA -0.321 61.719 62.100 -0.100 0.000 0.955 383 T CB 1.364 70.195 68.868 -0.062 0.000 0.930 383 T HN 0.293 nan 8.240 nan 0.000 0.451 384 V N 4.299 124.142 119.914 -0.118 0.000 2.257 384 V HA 0.606 4.724 4.120 -0.003 0.000 0.269 384 V C 1.137 177.135 176.094 -0.160 0.000 1.040 384 V CA 0.408 62.626 62.300 -0.137 0.000 0.813 384 V CB -0.098 31.649 31.823 -0.125 0.000 1.065 384 V HN 1.242 nan 8.190 nan 0.000 0.457 385 G N 5.421 114.151 108.800 -0.116 0.000 2.609 385 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.288 385 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.288 385 G C 0.292 174.979 174.900 -0.356 0.000 1.211 385 G CA 0.363 45.384 45.100 -0.131 0.000 0.963 385 G HN 0.852 nan 8.290 nan 0.000 0.541 389 N N 0.921 119.623 118.700 0.003 0.000 2.491 389 N HA 0.392 5.130 4.740 -0.003 0.000 0.274 389 N C -1.141 174.391 175.510 0.037 0.000 1.023 389 N CA -0.525 52.563 53.050 0.063 0.000 0.902 389 N CB 2.525 41.119 38.487 0.177 0.000 1.267 389 N HN 0.080 nan 8.380 nan 0.000 0.503 390 V N 3.778 123.705 119.914 0.022 0.000 2.348 390 V HA 0.342 4.460 4.120 -0.003 0.000 0.270 390 V C 0.238 176.351 176.094 0.032 0.000 1.037 390 V CA -0.472 61.843 62.300 0.026 0.000 0.872 390 V CB 0.752 32.578 31.823 0.006 0.000 1.002 390 V HN 0.488 nan 8.190 nan 0.000 0.464 391 I N 4.360 124.977 120.570 0.079 0.000 2.330 391 I HA 0.532 4.700 4.170 -0.003 0.000 0.289 391 I C -0.415 175.754 176.117 0.086 0.000 1.001 391 I CA -0.385 60.973 61.300 0.096 0.000 1.193 391 I CB 1.476 39.610 38.000 0.224 0.000 1.345 391 I HN 0.513 nan 8.210 nan 0.000 0.461 392 D N 5.511 125.883 120.400 -0.047 0.000 2.498 392 D HA 0.383 5.022 4.640 -0.003 0.000 0.247 392 D C -1.210 174.917 176.300 -0.289 0.000 1.070 392 D CA -0.062 53.890 54.000 -0.081 0.000 0.842 392 D CB 1.943 42.669 40.800 -0.122 0.000 1.361 392 D HN 0.273 nan 8.370 nan 0.000 0.484 393 W N 1.548 122.743 121.300 -0.175 0.000 2.336 393 W HA 0.273 4.931 4.660 -0.003 0.000 0.315 393 W C 0.331 176.582 176.519 -0.447 0.000 1.016 393 W CA -0.740 56.414 57.345 -0.319 0.000 1.318 393 W CB 1.178 30.509 29.460 -0.215 0.000 1.247 393 W HN 0.211 nan 8.180 nan 0.000 0.414 394 E N 3.156 123.084 120.200 -0.453 0.000 2.166 394 E HA 0.484 4.832 4.350 -0.003 0.000 0.275 394 E C -1.437 174.770 176.600 -0.655 0.000 0.941 394 E CA -0.661 55.484 56.400 -0.426 0.000 0.784 394 E CB 0.996 30.502 29.700 -0.324 0.000 1.115 394 E HN 0.193 nan 8.360 nan 0.000 0.399 395 F N 2.986 122.708 119.950 -0.381 0.000 2.458 395 F HA 0.441 4.967 4.527 -0.003 0.000 0.336 395 F C 0.274 176.098 175.800 0.040 0.000 1.114 395 F CA -0.701 57.084 58.000 -0.358 0.000 0.987 395 F CB 1.698 40.272 39.000 -0.710 0.000 1.130 395 F HN 0.229 nan 8.300 nan 0.000 0.458 396 K N 1.230 121.909 120.400 0.465 0.000 2.259 396 K HA 0.629 4.948 4.320 -0.003 0.000 0.249 396 K C 0.493 177.556 176.600 0.772 0.000 0.942 396 K CA -0.739 55.890 56.287 0.570 0.000 0.816 396 K CB 2.040 34.726 32.500 0.310 0.000 1.155 396 K HN 0.669 nan 8.250 nan 0.000 0.428 397 A N 1.120 124.262 122.820 0.536 0.000 2.024 397 A HA -0.179 4.140 4.320 -0.003 0.000 0.220 397 A C 1.867 179.534 177.584 0.137 0.000 1.164 397 A CA 2.252 54.432 52.037 0.238 0.000 0.643 397 A CB -0.705 18.315 19.000 0.033 0.000 0.806 397 A HN 0.769 nan 8.150 nan 0.000 0.451 398 S N -1.905 113.900 115.700 0.176 0.000 2.547 398 S HA 0.295 4.763 4.470 -0.003 0.000 0.235 398 S C 1.491 176.184 174.600 0.156 0.000 0.980 398 S CA 1.220 59.478 58.200 0.097 0.000 0.941 398 S CB -0.464 62.812 63.200 0.126 0.000 0.763 398 S HN 1.953 nan 8.310 nan 0.000 0.532 399 G N -0.098 108.914 108.800 0.353 0.000 2.176 399 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.232 399 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.232 399 G C 0.137 175.445 174.900 0.681 0.000 0.986 399 G CA 0.044 45.458 45.100 0.523 0.000 0.643 399 G HN 0.611 nan 8.290 nan 0.000 0.522 400 S N 0.264 116.252 115.700 0.479 0.000 2.545 400 S HA 0.666 5.135 4.470 -0.003 0.000 0.275 400 S C 0.359 175.096 174.600 0.228 0.000 1.299 400 S CA -0.156 58.241 58.200 0.329 0.000 1.048 400 S CB 0.610 63.914 63.200 0.174 0.000 0.938 400 S HN 0.362 nan 8.310 nan 0.000 0.496 401 I N 3.533 124.154 120.570 0.085 0.000 2.378 401 I HA 0.389 4.557 4.170 -0.003 0.000 0.291 401 I C -0.112 175.797 176.117 -0.345 0.000 0.992 401 I CA -0.438 60.696 61.300 -0.278 0.000 1.154 401 I CB 1.662 39.465 38.000 -0.328 0.000 1.315 401 I HN 0.381 nan 8.210 nan 0.000 0.448 402 K N 7.849 127.951 120.400 -0.497 0.000 2.530 402 K HA 0.423 4.741 4.320 -0.003 0.000 0.230 402 K C -2.651 173.492 176.600 -0.760 0.000 1.002 402 K CA -1.645 54.310 56.287 -0.554 0.000 1.014 402 K CB 1.251 33.535 32.500 -0.359 0.000 1.286 402 K HN 0.144 nan 8.250 nan 0.000 0.480 403 P HA 0.082 nan 4.420 nan 0.000 0.276 403 P C -1.085 175.639 177.300 -0.961 0.000 1.253 403 P CA -0.249 62.053 63.100 -1.331 0.000 0.766 403 P CB 1.329 31.912 31.700 -1.862 0.000 0.845 404 S N 2.850 118.192 115.700 -0.596 0.000 2.671 404 S HA 0.800 5.268 4.470 -0.003 0.000 0.299 404 S C -0.666 173.794 174.600 -0.233 0.000 1.116 404 S CA -0.888 57.095 58.200 -0.362 0.000 0.912 404 S CB 1.157 64.195 63.200 -0.270 0.000 1.130 404 S HN 0.192 nan 8.310 nan 0.000 0.501 405 I N 0.729 121.183 120.570 -0.195 0.000 2.499 405 I HA 0.660 4.828 4.170 -0.003 0.000 0.288 405 I C -0.371 175.648 176.117 -0.162 0.000 1.048 405 I CA -0.741 60.441 61.300 -0.196 0.000 1.062 405 I CB 1.975 39.739 38.000 -0.393 0.000 1.238 405 I HN 0.933 nan 8.210 nan 0.000 0.426 406 A N 7.303 130.058 122.820 -0.108 0.000 2.337 406 A HA 0.870 5.188 4.320 -0.003 0.000 0.329 406 A C -0.887 176.649 177.584 -0.079 0.000 1.146 406 A CA -0.560 51.421 52.037 -0.094 0.000 0.800 406 A CB 1.029 19.989 19.000 -0.067 0.000 1.220 406 A HN 0.666 nan 8.150 nan 0.000 0.472 407 L N 1.997 123.159 121.223 -0.103 0.000 2.282 407 L HA 0.639 4.977 4.340 -0.003 0.000 0.288 407 L C 0.494 177.311 176.870 -0.088 0.000 1.033 407 L CA -0.235 54.545 54.840 -0.101 0.000 0.807 407 L CB 1.373 43.309 42.059 -0.205 0.000 1.209 407 L HN 0.781 nan 8.230 nan 0.000 0.423 408 S N 1.210 116.871 115.700 -0.064 0.000 2.998 408 S HA 0.966 5.434 4.470 -0.003 0.000 0.323 408 S C -0.121 174.435 174.600 -0.074 0.000 1.141 408 S CA 0.286 58.445 58.200 -0.069 0.000 0.873 408 S CB 1.651 64.807 63.200 -0.073 0.000 1.315 408 S HN 1.088 nan 8.310 nan 0.000 0.637 409 G N 0.340 109.071 108.800 -0.115 0.000 2.482 409 G HA2 -0.047 3.911 3.960 -0.003 0.000 0.214 409 G HA3 -0.047 3.911 3.960 -0.003 0.000 0.214 409 G C -1.368 173.450 174.900 -0.137 0.000 1.271 409 G CA -0.187 44.824 45.100 -0.148 0.000 0.944 409 G HN 0.971 nan 8.290 nan 0.000 0.568 410 I N 0.513 120.999 120.570 -0.141 0.000 2.545 410 I HA 0.476 4.645 4.170 -0.003 0.000 0.292 410 I C 0.581 176.664 176.117 -0.056 0.000 1.040 410 I CA -0.793 60.447 61.300 -0.100 0.000 1.068 410 I CB 1.882 39.829 38.000 -0.089 0.000 1.251 410 I HN 0.563 nan 8.210 nan 0.000 0.424 411 L N 3.939 125.179 121.223 0.027 0.000 2.485 411 L HA 0.091 4.430 4.340 -0.003 0.000 0.275 411 L C 0.589 177.482 176.870 0.037 0.000 1.207 411 L CA 0.048 54.918 54.840 0.049 0.000 0.855 411 L CB 0.251 42.383 42.059 0.123 0.000 1.114 411 L HN 0.607 nan 8.230 nan 0.000 0.485 412 E N 4.141 124.325 120.200 -0.027 0.000 2.159 412 E HA 0.149 4.497 4.350 -0.003 0.000 0.272 412 E C -0.684 175.961 176.600 0.075 0.000 1.138 412 E CA -0.295 56.113 56.400 0.014 0.000 0.915 412 E CB 0.301 29.907 29.700 -0.157 0.000 1.028 412 E HN 0.210 nan 8.360 nan 0.000 0.423 413 I N 4.390 125.080 120.570 0.201 0.000 2.440 413 I HA 0.233 4.402 4.170 -0.003 0.000 0.294 413 I C 0.345 176.624 176.117 0.270 0.000 0.995 413 I CA -0.495 60.923 61.300 0.198 0.000 1.306 413 I CB 1.212 39.362 38.000 0.251 0.000 1.407 413 I HN 0.589 nan 8.210 nan 0.000 0.501 414 K N 3.957 124.472 120.400 0.193 0.000 2.265 414 K HA 0.544 4.862 4.320 -0.003 0.000 0.267 414 K C 0.037 176.748 176.600 0.184 0.000 0.994 414 K CA -0.440 56.023 56.287 0.295 0.000 0.860 414 K CB 1.333 34.002 32.500 0.281 0.000 1.099 414 K HN 0.851 nan 8.250 nan 0.000 0.448 415 G N 1.495 110.400 108.800 0.175 0.000 2.503 415 G HA2 0.318 4.276 3.960 -0.003 0.000 0.257 415 G HA3 0.318 4.276 3.960 -0.003 0.000 0.257 415 G C -0.678 174.274 174.900 0.086 0.000 1.214 415 G CA -0.101 45.070 45.100 0.117 0.000 0.839 415 G HN 0.552 nan 8.290 nan 0.000 0.559 416 T N -0.662 113.927 114.554 0.058 0.000 2.802 416 T HA 0.276 4.624 4.350 -0.003 0.000 0.311 416 T C 0.360 175.078 174.700 0.031 0.000 1.405 416 T CA -0.779 61.346 62.100 0.043 0.000 1.016 416 T CB 1.395 70.282 68.868 0.031 0.000 1.352 416 T HN 0.289 nan 8.240 nan 0.000 0.498 417 N N 1.262 119.978 118.700 0.027 0.000 2.422 417 N HA 0.111 4.849 4.740 -0.003 0.000 0.181 417 N C 0.490 176.012 175.510 0.020 0.000 1.080 417 N CA 0.134 53.197 53.050 0.022 0.000 0.893 417 N CB -0.099 38.401 38.487 0.021 0.000 0.973 417 N HN 0.516 nan 8.380 nan 0.000 0.456 418 I N 1.768 122.348 120.570 0.017 0.000 2.741 418 I HA -0.084 4.084 4.170 -0.003 0.000 0.288 418 I C 1.320 177.445 176.117 0.014 0.000 1.192 418 I CA 0.572 61.882 61.300 0.017 0.000 1.426 418 I CB 0.142 38.146 38.000 0.006 0.000 1.367 418 I HN -0.031 nan 8.210 nan 0.000 0.563 419 K N 4.327 124.747 120.400 0.034 0.000 2.380 419 K HA 0.140 4.458 4.320 -0.003 0.000 0.198 419 K C 0.309 176.941 176.600 0.055 0.000 1.070 419 K CA 0.097 56.402 56.287 0.030 0.000 1.040 419 K CB 0.584 33.109 32.500 0.042 0.000 0.903 419 K HN 0.511 nan 8.250 nan 0.000 0.549 420 H N 0.511 119.568 119.070 -0.022 0.000 2.806 420 H HA 0.175 4.729 4.556 -0.003 0.000 0.367 420 H C -0.089 175.226 175.328 -0.021 0.000 1.136 420 H CA -0.379 55.656 56.048 -0.022 0.000 1.178 420 H CB 2.052 31.805 29.762 -0.015 0.000 1.718 420 H HN -0.191 nan 8.280 nan 0.000 0.540 421 K N 2.374 122.589 120.400 -0.307 0.000 2.211 421 K HA -0.158 4.160 4.320 -0.003 0.000 0.204 421 K C 0.640 177.326 176.600 0.143 0.000 1.047 421 K CA 1.493 57.727 56.287 -0.088 0.000 0.935 421 K CB 0.210 32.595 32.500 -0.192 0.000 0.728 421 K HN 0.513 nan 8.250 nan 0.000 0.452 422 D N 1.156 121.866 120.400 0.517 0.000 2.158 422 D HA -0.184 4.454 4.640 -0.003 0.000 0.197 422 D C 1.343 177.708 176.300 0.107 0.000 0.995 422 D CA 1.421 55.566 54.000 0.242 0.000 0.846 422 D CB 0.030 40.880 40.800 0.083 0.000 0.941 422 D HN 0.476 nan 8.370 nan 0.000 0.456 423 E N -0.108 120.156 120.200 0.105 0.000 2.371 423 E HA 0.044 4.392 4.350 -0.003 0.000 0.194 423 E C 0.600 177.219 176.600 0.030 0.000 1.012 423 E CA -0.191 56.239 56.400 0.051 0.000 0.860 423 E CB 0.270 30.000 29.700 0.049 0.000 0.811 423 E HN 0.310 nan 8.360 nan 0.000 0.502 424 I N 2.253 122.838 120.570 0.026 0.000 2.742 424 I HA -0.111 4.057 4.170 -0.003 0.000 0.287 424 I C 1.246 177.364 176.117 0.002 0.000 1.186 424 I CA 0.201 61.503 61.300 0.003 0.000 1.417 424 I CB 0.469 38.461 38.000 -0.012 0.000 1.377 424 I HN -0.138 nan 8.210 nan 0.000 0.556 425 K N 5.224 125.622 120.400 -0.003 0.000 2.348 425 K HA 0.172 4.490 4.320 -0.003 0.000 0.194 425 K C 0.136 176.728 176.600 -0.012 0.000 1.052 425 K CA 0.552 56.837 56.287 -0.003 0.000 1.004 425 K CB 0.282 32.783 32.500 0.001 0.000 0.873 425 K HN 0.786 nan 8.250 nan 0.000 0.523 426 E N -0.904 119.281 120.200 -0.025 0.000 2.456 426 E HA 0.193 4.541 4.350 -0.003 0.000 0.278 426 E C -1.356 175.193 176.600 -0.085 0.000 1.034 426 E CA -0.898 55.477 56.400 -0.041 0.000 0.846 426 E CB 0.464 30.148 29.700 -0.028 0.000 1.460 426 E HN -0.258 nan 8.360 nan 0.000 0.463 427 D N 1.055 121.374 120.400 -0.135 0.000 2.368 427 D HA 0.015 4.653 4.640 -0.003 0.000 0.268 427 D C 0.629 176.668 176.300 -0.436 0.000 1.298 427 D CA 0.246 54.088 54.000 -0.264 0.000 0.938 427 D CB 0.470 41.090 40.800 -0.300 0.000 1.101 427 D HN 0.490 nan 8.370 nan 0.000 0.509 428 L N 3.804 124.859 121.223 -0.280 0.000 2.552 428 L HA -0.049 4.290 4.340 -0.003 0.000 0.227 428 L C 0.644 177.376 176.870 -0.231 0.000 1.146 428 L CA 0.080 54.794 54.840 -0.209 0.000 0.858 428 L CB -0.426 41.556 42.059 -0.127 0.000 0.969 428 L HN 0.601 nan 8.230 nan 0.000 0.451 429 H N -1.214 117.803 119.070 -0.088 0.000 2.899 429 H HA -0.130 4.425 4.556 -0.003 0.000 0.282 429 H C 0.629 175.536 175.328 -0.701 0.000 1.198 429 H CA 0.653 56.603 56.048 -0.163 0.000 1.140 429 H CB -1.701 28.027 29.762 -0.055 0.000 1.317 429 H HN 0.544 nan 8.280 nan 0.000 0.375 430 G N -1.003 107.300 108.800 -0.829 0.000 2.342 430 G HA2 0.416 4.374 3.960 -0.003 0.000 0.297 430 G HA3 0.416 4.374 3.960 -0.003 0.000 0.297 430 G C -1.424 173.169 174.900 -0.511 0.000 1.313 430 G CA -0.994 43.463 45.100 -1.071 0.000 0.830 430 G HN 0.012 nan 8.290 nan 0.000 0.506 431 K N -0.116 120.100 120.400 -0.307 0.000 2.207 431 K HA 0.515 4.833 4.320 -0.003 0.000 0.255 431 K C -0.937 175.590 176.600 -0.121 0.000 0.941 431 K CA -0.908 55.302 56.287 -0.127 0.000 0.825 431 K CB 2.625 35.102 32.500 -0.038 0.000 1.119 431 K HN 0.336 nan 8.250 nan 0.000 0.430 432 L N 3.777 124.936 121.223 -0.107 0.000 2.407 432 L HA 0.009 4.348 4.340 -0.003 0.000 0.282 432 L C 0.893 177.678 176.870 -0.141 0.000 1.110 432 L CA 0.248 55.014 54.840 -0.124 0.000 0.863 432 L CB 0.445 42.432 42.059 -0.121 0.000 1.207 432 L HN 0.523 nan 8.230 nan 0.000 0.454 433 V N 0.996 120.801 119.914 -0.181 0.000 3.660 433 V HA 0.455 4.574 4.120 -0.003 0.000 0.276 433 V C 0.616 176.452 176.094 -0.430 0.000 1.317 433 V CA 0.643 62.809 62.300 -0.224 0.000 1.097 433 V CB 0.021 31.757 31.823 -0.145 0.000 0.863 433 V HN 0.720 nan 8.190 nan 0.000 0.438 434 S N -0.691 114.746 115.700 -0.439 0.000 2.611 434 S HA 0.694 5.163 4.470 -0.003 0.000 0.270 434 S C -0.346 174.104 174.600 -0.250 0.000 1.131 434 S CA -0.131 57.795 58.200 -0.456 0.000 0.826 434 S CB 1.248 63.896 63.200 -0.919 0.000 1.095 434 S HN 1.459 nan 8.310 nan 0.000 0.461 435 A N 2.390 125.118 122.820 -0.153 0.000 2.567 435 A HA 0.345 4.664 4.320 -0.003 0.000 0.240 435 A C 0.824 178.374 177.584 -0.056 0.000 1.053 435 A CA 1.254 53.248 52.037 -0.072 0.000 0.755 435 A CB -1.171 17.814 19.000 -0.025 0.000 0.978 435 A HN 1.317 nan 8.150 nan 0.000 0.507 436 N N -0.368 118.313 118.700 -0.032 0.000 2.863 436 N HA -0.169 4.570 4.740 -0.003 0.000 0.245 436 N C -0.534 174.973 175.510 -0.004 0.000 1.001 436 N CA 1.232 54.280 53.050 -0.004 0.000 0.901 436 N CB -1.094 37.406 38.487 0.022 0.000 1.124 436 N HN 0.577 nan 8.380 nan 0.000 0.582 437 S N 0.528 116.196 115.700 -0.054 0.000 2.659 437 S HA 0.563 5.031 4.470 -0.003 0.000 0.312 437 S C -0.207 174.351 174.600 -0.070 0.000 1.114 437 S CA -0.672 57.502 58.200 -0.044 0.000 1.063 437 S CB 1.516 64.646 63.200 -0.116 0.000 0.996 437 S HN 0.176 nan 8.310 nan 0.000 0.478 438 I N 2.547 123.098 120.570 -0.032 0.000 2.312 438 I HA 0.395 4.564 4.170 -0.003 0.000 0.290 438 I C 0.897 176.968 176.117 -0.076 0.000 1.008 438 I CA -0.554 60.703 61.300 -0.073 0.000 1.226 438 I CB 1.139 39.097 38.000 -0.070 0.000 1.371 438 I HN 0.736 nan 8.210 nan 0.000 0.468 439 G N 7.736 116.476 108.800 -0.101 0.000 2.365 439 G HA2 0.385 4.343 3.960 -0.003 0.000 0.293 439 G HA3 0.385 4.343 3.960 -0.003 0.000 0.293 439 G C 0.062 174.839 174.900 -0.204 0.000 1.128 439 G CA -0.419 44.623 45.100 -0.096 0.000 0.971 439 G HN 0.371 nan 8.290 nan 0.000 0.422 440 I N 2.285 122.731 120.570 -0.207 0.000 2.696 440 I HA 0.095 4.264 4.170 -0.003 0.000 0.284 440 I C 0.159 176.176 176.117 -0.167 0.000 1.129 440 I CA -0.915 60.218 61.300 -0.278 0.000 1.410 440 I CB 0.371 38.189 38.000 -0.302 0.000 1.399 440 I HN 0.366 nan 8.210 nan 0.000 0.579 441 Y N 5.628 125.897 120.300 -0.052 0.000 2.425 441 Y HA 0.271 4.819 4.550 -0.003 0.000 0.331 441 Y C 0.948 176.725 175.900 -0.205 0.000 1.157 441 Y CA 0.065 58.089 58.100 -0.127 0.000 1.372 441 Y CB 0.062 38.457 38.460 -0.109 0.000 1.253 441 Y HN 0.530 nan 8.280 nan 0.000 0.536 442 H N -0.792 118.089 119.070 -0.314 0.000 2.948 442 H HA 0.518 5.072 4.556 -0.003 0.000 0.315 442 H C -1.800 173.324 175.328 -0.339 0.000 1.360 442 H CA -1.130 54.574 56.048 -0.574 0.000 1.125 442 H CB 1.380 30.282 29.762 -1.433 0.000 1.844 442 H HN 0.467 nan 8.280 nan 0.000 0.529 443 D N 0.285 120.470 120.400 -0.359 0.000 2.350 443 D HA 0.339 4.977 4.640 -0.003 0.000 0.238 443 D C -0.339 175.691 176.300 -0.451 0.000 0.989 443 D CA -0.374 53.406 54.000 -0.366 0.000 0.921 443 D CB 1.859 42.470 40.800 -0.315 0.000 1.297 443 D HN 0.460 nan 8.370 nan 0.000 0.490 444 H N 0.712 119.505 119.070 -0.463 0.000 2.727 444 H HA 0.338 4.892 4.556 -0.003 0.000 0.330 444 H C -0.890 174.191 175.328 -0.412 0.000 0.986 444 H CA -0.449 55.414 56.048 -0.310 0.000 1.251 444 H CB 0.949 30.653 29.762 -0.096 0.000 1.493 444 H HN 0.156 nan 8.280 nan 0.000 0.515 445 F N 2.576 122.481 119.950 -0.074 0.000 2.493 445 F HA 0.320 4.845 4.527 -0.003 0.000 0.329 445 F C -0.638 175.169 175.800 0.012 0.000 1.126 445 F CA -0.769 57.267 58.000 0.059 0.000 0.937 445 F CB 1.236 40.296 39.000 0.100 0.000 1.146 445 F HN 0.394 nan 8.300 nan 0.000 0.442 446 Y N 3.637 124.135 120.300 0.329 0.000 2.393 446 Y HA 0.625 5.174 4.550 -0.003 0.000 0.341 446 Y C -0.379 175.660 175.900 0.231 0.000 0.988 446 Y CA -1.384 56.850 58.100 0.222 0.000 1.078 446 Y CB 1.880 40.420 38.460 0.133 0.000 1.203 446 Y HN 0.476 nan 8.280 nan 0.000 0.453 447 I N 3.294 124.036 120.570 0.287 0.000 2.410 447 I HA 0.415 4.584 4.170 -0.003 0.000 0.286 447 I C -1.603 174.622 176.117 0.180 0.000 1.009 447 I CA -0.707 60.752 61.300 0.266 0.000 1.111 447 I CB 0.638 38.750 38.000 0.187 0.000 1.262 447 I HN 0.535 nan 8.210 nan 0.000 0.443 448 Y N 6.517 126.913 120.300 0.160 0.000 2.310 448 Y HA 0.244 4.793 4.550 -0.003 0.000 0.326 448 Y C -0.609 175.278 175.900 -0.022 0.000 1.151 448 Y CA 0.168 58.330 58.100 0.103 0.000 1.195 448 Y CB 1.063 39.606 38.460 0.137 0.000 1.210 448 Y HN 0.483 nan 8.280 nan 0.000 0.483 449 Y N 4.131 124.238 120.300 -0.322 0.000 2.331 449 Y HA 0.575 5.123 4.550 -0.003 0.000 0.338 449 Y C -1.430 174.127 175.900 -0.572 0.000 0.976 449 Y CA -0.988 56.604 58.100 -0.846 0.000 1.137 449 Y CB 0.495 38.077 38.460 -1.464 0.000 1.172 449 Y HN 0.508 nan 8.280 nan 0.000 0.478 450 L N 6.839 127.545 121.223 -0.861 0.000 2.417 450 L HA 0.251 4.589 4.340 -0.003 0.000 0.259 450 L C -0.798 175.628 176.870 -0.740 0.000 1.023 450 L CA -0.599 53.862 54.840 -0.631 0.000 0.901 450 L CB 0.954 42.723 42.059 -0.484 0.000 1.227 450 L HN 0.604 nan 8.230 nan 0.000 0.454 451 D N 2.832 122.885 120.400 -0.579 0.000 2.508 451 D HA 0.124 4.762 4.640 -0.003 0.000 0.224 451 D C -0.274 175.941 176.300 -0.141 0.000 1.171 451 D CA -0.124 53.694 54.000 -0.303 0.000 1.006 451 D CB 0.078 40.897 40.800 0.030 0.000 1.073 451 D HN -0.014 nan 8.370 nan 0.000 0.513 452 F N 1.539 121.440 119.950 -0.080 0.000 2.484 452 F HA 0.197 4.722 4.527 -0.003 0.000 0.360 452 F C 0.982 176.778 175.800 -0.007 0.000 1.101 452 F CA -0.017 57.963 58.000 -0.034 0.000 1.251 452 F CB 0.876 39.855 39.000 -0.034 0.000 1.132 452 F HN 0.138 nan 8.300 nan 0.000 0.570 453 D N 3.638 124.175 120.400 0.228 0.000 2.502 453 D HA 0.204 4.842 4.640 -0.003 0.000 0.301 453 D C -0.275 176.131 176.300 0.178 0.000 1.202 453 D CA -0.223 53.866 54.000 0.147 0.000 0.878 453 D CB 0.348 41.209 40.800 0.103 0.000 1.062 453 D HN 0.106 nan 8.370 nan 0.000 0.499 454 I N 1.851 122.533 120.570 0.187 0.000 2.818 454 I HA -0.056 4.112 4.170 -0.003 0.000 0.285 454 I C 0.950 177.220 176.117 0.255 0.000 1.160 454 I CA 0.631 62.075 61.300 0.240 0.000 1.370 454 I CB -0.500 37.629 38.000 0.215 0.000 1.440 454 I HN 0.330 nan 8.210 nan 0.000 0.555 455 D N 4.893 125.469 120.400 0.294 0.000 2.911 455 D HA -0.163 4.475 4.640 -0.003 0.000 0.227 455 D C 0.572 176.943 176.300 0.119 0.000 1.164 455 D CA 1.592 55.696 54.000 0.174 0.000 0.782 455 D CB -0.680 40.152 40.800 0.053 0.000 1.094 455 D HN 1.101 nan 8.370 nan 0.000 0.425 456 G N -2.712 106.165 108.800 0.128 0.000 2.347 456 G HA2 0.125 4.084 3.960 -0.003 0.000 0.341 456 G HA3 0.125 4.084 3.960 -0.003 0.000 0.341 456 G C 0.681 175.626 174.900 0.076 0.000 1.287 456 G CA 0.594 45.755 45.100 0.101 0.000 0.984 456 G HN 0.430 nan 8.290 nan 0.000 0.526 457 T N -3.032 111.540 114.554 0.031 0.000 3.037 457 T HA 0.226 4.575 4.350 -0.003 0.000 0.252 457 T C 0.838 175.438 174.700 -0.166 0.000 1.073 457 T CA 1.120 63.160 62.100 -0.100 0.000 1.091 457 T CB -0.049 68.674 68.868 -0.241 0.000 0.935 457 T HN 0.642 nan 8.240 nan 0.000 0.488 458 H N 2.158 121.238 119.070 0.016 0.000 2.944 458 H HA 0.543 5.097 4.556 -0.003 0.000 0.278 458 H C 0.031 175.385 175.328 0.042 0.000 1.083 458 H CA 0.187 56.251 56.048 0.027 0.000 1.479 458 H CB 0.116 29.891 29.762 0.022 0.000 1.486 458 H HN 0.480 nan 8.280 nan 0.000 0.493 459 N N 1.280 120.044 118.700 0.107 0.000 2.774 459 N HA 0.569 5.308 4.740 -0.003 0.000 0.264 459 N C -1.156 174.420 175.510 0.110 0.000 1.415 459 N CA -0.908 52.205 53.050 0.105 0.000 0.815 459 N CB 2.169 40.713 38.487 0.095 0.000 1.514 459 N HN 0.371 nan 8.380 nan 0.000 0.523 460 S N 0.009 115.778 115.700 0.114 0.000 2.607 460 S HA 0.513 4.981 4.470 -0.003 0.000 0.273 460 S C -1.839 172.872 174.600 0.185 0.000 1.148 460 S CA -0.630 57.650 58.200 0.132 0.000 0.833 460 S CB 1.701 64.956 63.200 0.092 0.000 1.130 460 S HN 0.477 nan 8.310 nan 0.000 0.470 461 F N 1.967 121.933 119.950 0.026 0.000 2.449 461 F HA 0.553 5.078 4.527 -0.003 0.000 0.342 461 F C -0.417 175.388 175.800 0.008 0.000 1.127 461 F CA -0.548 57.462 58.000 0.016 0.000 0.975 461 F CB 0.914 39.934 39.000 0.034 0.000 1.146 461 F HN 0.563 nan 8.300 nan 0.000 0.444 462 E N 5.255 125.129 120.200 -0.543 0.000 2.171 462 E HA 0.258 4.606 4.350 -0.003 0.000 0.271 462 E C -1.150 175.025 176.600 -0.708 0.000 0.916 462 E CA -1.032 55.081 56.400 -0.479 0.000 0.774 462 E CB 1.970 31.533 29.700 -0.228 0.000 1.128 462 E HN 0.434 nan 8.360 nan 0.000 0.403 463 K N 2.638 122.738 120.400 -0.501 0.000 2.367 463 K HA 0.256 4.574 4.320 -0.003 0.000 0.263 463 K C -1.169 175.317 176.600 -0.190 0.000 1.000 463 K CA -0.350 55.721 56.287 -0.359 0.000 0.891 463 K CB 1.108 33.452 32.500 -0.260 0.000 1.117 463 K HN 0.380 nan 8.250 nan 0.000 0.443 464 T N 2.818 117.282 114.554 -0.150 0.000 2.762 464 T HA 0.175 4.523 4.350 -0.003 0.000 0.303 464 T C -0.400 174.257 174.700 -0.072 0.000 0.977 464 T CA -0.332 61.717 62.100 -0.085 0.000 0.961 464 T CB 0.789 69.618 68.868 -0.065 0.000 0.944 464 T HN 0.432 nan 8.240 nan 0.000 0.481 465 S N 3.799 119.465 115.700 -0.057 0.000 2.537 465 S HA 0.389 4.857 4.470 -0.003 0.000 0.275 465 S C 0.274 174.846 174.600 -0.047 0.000 1.272 465 S CA -0.899 57.265 58.200 -0.060 0.000 1.050 465 S CB 0.582 63.754 63.200 -0.048 0.000 0.961 465 S HN 0.517 nan 8.310 nan 0.000 0.496 466 L N 4.096 125.251 121.223 -0.113 0.000 2.283 466 L HA 0.356 4.694 4.340 -0.003 0.000 0.287 466 L C 0.346 177.175 176.870 -0.068 0.000 1.073 466 L CA -0.307 54.447 54.840 -0.144 0.000 0.822 466 L CB 0.050 41.790 42.059 -0.533 0.000 1.186 466 L HN 0.627 nan 8.230 nan 0.000 0.436 467 K N 1.631 122.064 120.400 0.055 0.000 2.259 467 K HA 0.551 4.869 4.320 -0.003 0.000 0.252 467 K C -0.541 176.090 176.600 0.052 0.000 0.936 467 K CA -0.760 55.539 56.287 0.020 0.000 0.810 467 K CB 1.728 34.227 32.500 -0.003 0.000 1.143 467 K HN 0.206 nan 8.250 nan 0.000 0.427 468 T N 1.823 116.380 114.554 0.006 0.000 2.870 468 T HA 0.158 4.506 4.350 -0.003 0.000 0.300 468 T C -0.127 174.491 174.700 -0.136 0.000 0.989 468 T CA -0.451 61.635 62.100 -0.025 0.000 1.139 468 T CB 0.573 69.432 68.868 -0.016 0.000 0.920 468 T HN 0.338 nan 8.240 nan 0.000 0.537 469 V N 4.647 124.367 119.914 -0.323 0.000 2.384 469 V HA 0.444 4.563 4.120 -0.003 0.000 0.287 469 V C 0.318 176.236 176.094 -0.295 0.000 1.020 469 V CA -0.970 61.090 62.300 -0.400 0.000 0.850 469 V CB 1.486 32.848 31.823 -0.768 0.000 0.987 469 V HN 0.721 nan 8.190 nan 0.000 0.436 470 R N 4.559 124.986 120.500 -0.122 0.000 2.207 470 R HA 0.525 4.863 4.340 -0.003 0.000 0.334 470 R C -0.703 175.606 176.300 0.015 0.000 1.013 470 R CA -0.584 55.494 56.100 -0.037 0.000 0.858 470 R CB 0.635 30.924 30.300 -0.019 0.000 1.094 470 R HN 0.698 nan 8.270 nan 0.000 0.457 471 I N 5.967 126.579 120.570 0.070 0.000 2.421 471 I HA -0.020 4.148 4.170 -0.003 0.000 0.291 471 I C 1.094 177.241 176.117 0.050 0.000 1.089 471 I CA 0.429 61.784 61.300 0.092 0.000 1.354 471 I CB 1.042 39.113 38.000 0.118 0.000 1.413 471 I HN 0.641 nan 8.210 nan 0.000 0.513 472 K N 3.467 123.890 120.400 0.038 0.000 2.276 472 K HA -0.024 4.294 4.320 -0.003 0.000 0.198 472 K C 0.876 177.488 176.600 0.021 0.000 1.052 472 K CA 0.485 56.786 56.287 0.024 0.000 0.984 472 K CB 0.162 32.672 32.500 0.017 0.000 0.836 472 K HN 0.688 nan 8.250 nan 0.000 0.490 473 D N 0.474 120.888 120.400 0.023 0.000 2.344 473 D HA 0.007 4.646 4.640 -0.003 0.000 0.242 473 D C 0.881 177.189 176.300 0.014 0.000 1.159 473 D CA 0.261 54.270 54.000 0.017 0.000 0.859 473 D CB -0.465 40.345 40.800 0.016 0.000 0.925 473 D HN 0.225 nan 8.370 nan 0.000 0.510 474 G N 0.906 109.716 108.800 0.016 0.000 2.337 474 G HA2 -0.378 3.581 3.960 -0.003 0.000 0.290 474 G HA3 -0.378 3.581 3.960 -0.003 0.000 0.290 474 G C 0.950 175.854 174.900 0.006 0.000 1.003 474 G CA 0.988 46.094 45.100 0.011 0.000 0.825 474 G HN 0.629 nan 8.290 nan 0.000 0.509 475 S N -1.917 113.787 115.700 0.007 0.000 2.631 475 S HA 0.575 5.043 4.470 -0.003 0.000 0.217 475 S C 0.714 175.307 174.600 -0.011 0.000 0.958 475 S CA 0.707 58.905 58.200 -0.003 0.000 0.920 475 S CB 0.712 63.910 63.200 -0.002 0.000 0.776 475 S HN 1.098 nan 8.310 nan 0.000 0.517 476 S N -0.285 115.412 115.700 -0.004 0.000 2.588 476 S HA 0.469 4.937 4.470 -0.003 0.000 0.275 476 S C 0.215 174.813 174.600 -0.003 0.000 1.130 476 S CA -0.820 57.371 58.200 -0.014 0.000 0.855 476 S CB 1.443 64.631 63.200 -0.021 0.000 1.116 476 S HN 0.176 nan 8.310 nan 0.000 0.472 477 K N 0.677 121.072 120.400 -0.009 0.000 2.217 477 K HA 0.118 4.436 4.320 -0.003 0.000 0.202 477 K C 0.407 177.011 176.600 0.008 0.000 1.051 477 K CA 0.530 56.816 56.287 -0.002 0.000 0.952 477 K CB 0.015 32.511 32.500 -0.007 0.000 0.736 477 K HN 0.313 nan 8.250 nan 0.000 0.453 478 R N 1.644 122.150 120.500 0.010 0.000 2.491 478 R HA 0.044 4.383 4.340 -0.003 0.000 0.283 478 R C 0.892 177.224 176.300 0.053 0.000 1.072 478 R CA 0.369 56.488 56.100 0.031 0.000 1.048 478 R CB 0.570 30.890 30.300 0.033 0.000 0.983 478 R HN 0.124 nan 8.270 nan 0.000 0.450 479 K N 0.489 120.923 120.400 0.055 0.000 2.418 479 K HA 0.009 4.328 4.320 -0.003 0.000 0.195 479 K C 0.362 177.009 176.600 0.079 0.000 1.035 479 K CA 0.477 56.798 56.287 0.057 0.000 1.003 479 K CB 0.292 32.815 32.500 0.038 0.000 0.793 479 K HN 0.686 nan 8.250 nan 0.000 0.494 480 S N -0.418 115.353 115.700 0.117 0.000 2.578 480 S HA 0.480 4.949 4.470 -0.003 0.000 0.272 480 S C -1.467 173.265 174.600 0.220 0.000 1.145 480 S CA -1.179 57.086 58.200 0.109 0.000 0.835 480 S CB 0.869 64.092 63.200 0.038 0.000 1.104 480 S HN 0.228 nan 8.310 nan 0.000 0.458 481 Y N -1.556 118.751 120.300 0.013 0.000 2.689 481 Y HA 0.861 5.410 4.550 -0.003 0.000 0.333 481 Y C -1.286 174.651 175.900 0.062 0.000 1.208 481 Y CA -1.682 56.403 58.100 -0.025 0.000 1.055 481 Y CB 0.323 38.718 38.460 -0.109 0.000 1.304 481 Y HN 1.012 nan 8.280 nan 0.000 0.455 482 W N 0.647 121.945 121.300 -0.003 0.000 2.578 482 W HA 0.823 5.481 4.660 -0.003 0.000 0.353 482 W C -1.460 175.074 176.519 0.025 0.000 1.088 482 W CA -0.750 56.541 57.345 -0.090 0.000 1.235 482 W CB 1.652 31.087 29.460 -0.041 0.000 1.362 482 W HN 0.886 nan 8.180 nan 0.000 0.592 483 T N 0.203 114.992 114.554 0.391 0.000 2.696 483 T HA 0.509 4.857 4.350 -0.003 0.000 0.291 483 T C -0.804 174.123 174.700 0.378 0.000 1.095 483 T CA -0.236 62.054 62.100 0.317 0.000 1.026 483 T CB 1.390 70.372 68.868 0.190 0.000 1.390 483 T HN 0.633 nan 8.240 nan 0.000 0.513 484 T N -0.335 114.370 114.554 0.251 0.000 2.888 484 T HA 0.752 5.100 4.350 -0.003 0.000 0.284 484 T C -0.803 173.948 174.700 0.084 0.000 1.017 484 T CA -0.724 61.478 62.100 0.171 0.000 1.022 484 T CB 1.668 70.632 68.868 0.161 0.000 1.013 484 T HN 0.657 nan 8.240 nan 0.000 0.465 485 E N 1.162 121.388 120.200 0.042 0.000 2.241 485 E HA 0.433 4.781 4.350 -0.003 0.000 0.263 485 E C -1.273 175.320 176.600 -0.011 0.000 0.882 485 E CA -0.682 55.727 56.400 0.014 0.000 0.769 485 E CB 1.568 31.273 29.700 0.009 0.000 1.185 485 E HN 0.689 nan 8.360 nan 0.000 0.415 486 T N 4.553 119.096 114.554 -0.018 0.000 2.743 486 T HA 0.264 4.612 4.350 -0.003 0.000 0.292 486 T C -0.675 173.997 174.700 -0.048 0.000 0.972 486 T CA -0.658 61.416 62.100 -0.044 0.000 0.967 486 T CB 1.074 69.915 68.868 -0.044 0.000 0.926 486 T HN 0.333 nan 8.240 nan 0.000 0.459 487 Q N 2.107 121.866 119.800 -0.067 0.000 2.282 487 Q HA 0.396 4.734 4.340 -0.003 0.000 0.260 487 Q C -0.272 175.678 176.000 -0.083 0.000 0.964 487 Q CA -0.350 55.418 55.803 -0.058 0.000 0.880 487 Q CB 1.922 30.632 28.738 -0.046 0.000 1.286 487 Q HN 0.550 nan 8.270 nan 0.000 0.445 488 T N 1.676 116.201 114.554 -0.048 0.000 2.780 488 T HA 0.446 4.794 4.350 -0.003 0.000 0.294 488 T C -0.133 174.574 174.700 0.013 0.000 0.949 488 T CA -0.379 61.703 62.100 -0.030 0.000 1.074 488 T CB 0.687 69.555 68.868 -0.001 0.000 0.910 488 T HN 0.574 nan 8.240 nan 0.000 0.501 489 A N 4.011 126.866 122.820 0.058 0.000 2.522 489 A HA 0.232 4.550 4.320 -0.003 0.000 0.256 489 A C 1.355 179.002 177.584 0.105 0.000 1.086 489 A CA -0.205 51.908 52.037 0.126 0.000 0.763 489 A CB 0.226 19.403 19.000 0.296 0.000 1.024 489 A HN 0.698 nan 8.150 nan 0.000 0.502 490 K N 1.176 121.620 120.400 0.073 0.000 2.211 490 K HA 0.061 4.379 4.320 -0.003 0.000 0.201 490 K C 0.807 177.449 176.600 0.070 0.000 1.052 490 K CA 1.553 57.879 56.287 0.065 0.000 0.973 490 K CB -0.219 32.308 32.500 0.045 0.000 0.766 490 K HN 0.887 nan 8.250 nan 0.000 0.466 491 T N -2.952 111.644 114.554 0.069 0.000 2.883 491 T HA 0.350 4.698 4.350 -0.003 0.000 0.301 491 T C 0.774 175.515 174.700 0.068 0.000 1.158 491 T CA -0.792 61.347 62.100 0.066 0.000 1.007 491 T CB 2.224 71.122 68.868 0.050 0.000 1.186 491 T HN -0.060 nan 8.240 nan 0.000 0.499 492 E N 0.762 121.007 120.200 0.076 0.000 2.169 492 E HA -0.220 4.128 4.350 -0.003 0.000 0.202 492 E C 2.144 178.766 176.600 0.037 0.000 1.016 492 E CA 1.991 58.439 56.400 0.081 0.000 0.817 492 E CB -0.201 29.565 29.700 0.110 0.000 0.736 492 E HN 0.787 nan 8.360 nan 0.000 0.462 493 S N 0.796 116.508 115.700 0.020 0.000 2.447 493 S HA -0.143 4.325 4.470 -0.003 0.000 0.233 493 S C 1.300 175.863 174.600 -0.062 0.000 1.006 493 S CA 1.105 59.287 58.200 -0.029 0.000 0.957 493 S CB -0.003 63.191 63.200 -0.010 0.000 0.773 493 S HN 0.149 nan 8.310 nan 0.000 0.507 494 D N 2.418 122.811 120.400 -0.012 0.000 2.194 494 D HA 0.167 4.805 4.640 -0.003 0.000 0.204 494 D C 1.586 177.897 176.300 0.018 0.000 0.964 494 D CA 1.152 55.154 54.000 0.003 0.000 0.846 494 D CB -0.351 40.477 40.800 0.046 0.000 0.962 494 D HN 0.589 nan 8.370 nan 0.000 0.490 495 A N 0.520 123.355 122.820 0.025 0.000 2.411 495 A HA 0.047 4.365 4.320 -0.003 0.000 0.251 495 A C 0.475 177.972 177.584 -0.146 0.000 1.317 495 A CA -0.111 51.947 52.037 0.033 0.000 0.904 495 A CB -0.261 18.754 19.000 0.025 0.000 0.993 495 A HN -0.060 nan 8.150 nan 0.000 0.504 496 K N 1.499 121.697 120.400 -0.336 0.000 2.231 496 K HA 0.342 4.660 4.320 -0.003 0.000 0.275 496 K C -0.935 175.266 176.600 -0.665 0.000 1.105 496 K CA -0.277 55.508 56.287 -0.837 0.000 0.931 496 K CB 0.654 32.353 32.500 -1.334 0.000 1.296 496 K HN 0.201 nan 8.250 nan 0.000 0.446 497 I N 2.834 123.220 120.570 -0.306 0.000 2.321 497 I HA 0.113 4.281 4.170 -0.003 0.000 0.291 497 I C 0.388 176.591 176.117 0.144 0.000 0.998 497 I CA -0.527 60.761 61.300 -0.022 0.000 1.227 497 I CB 1.163 39.214 38.000 0.085 0.000 1.368 497 I HN 0.347 nan 8.210 nan 0.000 0.466 498 T N 7.412 122.078 114.554 0.187 0.000 2.762 498 T HA 0.473 4.821 4.350 -0.003 0.000 0.303 498 T C 0.621 175.408 174.700 0.146 0.000 0.977 498 T CA -0.301 61.908 62.100 0.181 0.000 0.961 498 T CB 0.131 69.037 68.868 0.064 0.000 0.944 498 T HN 0.254 nan 8.240 nan 0.000 0.481 499 I N 3.009 123.711 120.570 0.221 0.000 2.517 499 I HA 0.355 4.523 4.170 -0.003 0.000 0.285 499 I C 1.405 177.642 176.117 0.199 0.000 1.106 499 I CA 0.782 62.189 61.300 0.178 0.000 1.402 499 I CB 0.546 38.643 38.000 0.162 0.000 1.399 499 I HN 0.953 nan 8.210 nan 0.000 0.535 500 G N 4.576 113.434 108.800 0.097 0.000 2.296 500 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.188 500 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.188 500 G C 0.709 175.614 174.900 0.008 0.000 1.000 500 G CA -0.381 44.760 45.100 0.068 0.000 0.672 500 G HN 0.504 nan 8.290 nan 0.000 0.483 501 L N 0.385 121.606 121.223 -0.004 0.000 2.083 501 L HA 0.413 4.751 4.340 -0.003 0.000 0.209 501 L C 1.434 178.286 176.870 -0.030 0.000 1.083 501 L CA 1.740 56.565 54.840 -0.026 0.000 0.752 501 L CB -0.447 41.597 42.059 -0.025 0.000 0.899 501 L HN 0.827 nan 8.230 nan 0.000 0.433 502 A N -1.218 121.583 122.820 -0.032 0.000 2.567 502 A HA 0.592 4.911 4.320 -0.003 0.000 0.291 502 A C -2.636 174.907 177.584 -0.068 0.000 1.048 502 A CA -0.894 51.112 52.037 -0.052 0.000 0.661 502 A CB 0.175 19.145 19.000 -0.050 0.000 1.288 502 A HN -0.087 nan 8.150 nan 0.000 0.424 503 P HA 0.621 nan 4.420 nan 0.000 0.276 503 P C -0.443 176.779 177.300 -0.129 0.000 1.230 503 P CA 0.214 63.231 63.100 -0.139 0.000 0.776 503 P CB 1.292 32.854 31.700 -0.230 0.000 0.888 504 A N 1.832 124.589 122.820 -0.106 0.000 2.605 504 A HA 0.481 4.799 4.320 -0.003 0.000 0.294 504 A C -1.163 176.373 177.584 -0.080 0.000 1.062 504 A CA -0.761 51.221 52.037 -0.092 0.000 0.682 504 A CB 1.227 20.186 19.000 -0.069 0.000 1.278 504 A HN 0.518 nan 8.150 nan 0.000 0.410 505 E N 0.763 120.914 120.200 -0.082 0.000 2.191 505 E HA 0.546 4.895 4.350 -0.003 0.000 0.278 505 E C -1.248 175.297 176.600 -0.092 0.000 0.972 505 E CA -0.561 55.799 56.400 -0.068 0.000 0.804 505 E CB 1.851 31.516 29.700 -0.057 0.000 1.110 505 E HN 0.509 nan 8.360 nan 0.000 0.394 506 L N 3.223 124.414 121.223 -0.053 0.000 2.295 506 L HA 0.407 4.745 4.340 -0.003 0.000 0.281 506 L C -0.801 176.060 176.870 -0.014 0.000 1.018 506 L CA -0.776 54.039 54.840 -0.042 0.000 0.841 506 L CB 1.136 43.288 42.059 0.155 0.000 1.218 506 L HN 0.181 nan 8.230 nan 0.000 0.424 507 V N 3.688 123.506 119.914 -0.160 0.000 2.680 507 V HA 0.446 4.564 4.120 -0.003 0.000 0.309 507 V C -0.036 176.054 176.094 -0.007 0.000 1.052 507 V CA -0.782 61.474 62.300 -0.072 0.000 0.908 507 V CB 2.625 34.392 31.823 -0.093 0.000 1.001 507 V HN 0.334 nan 8.190 nan 0.000 0.431 508 V N 5.106 125.022 119.914 0.005 0.000 2.350 508 V HA 0.537 4.655 4.120 -0.003 0.000 0.276 508 V C 0.012 176.110 176.094 0.007 0.000 1.028 508 V CA -0.366 61.947 62.300 0.022 0.000 0.860 508 V CB 1.475 33.186 31.823 -0.186 0.000 0.990 508 V HN 0.760 nan 8.190 nan 0.000 0.453 509 V N 2.050 121.990 119.914 0.044 0.000 3.019 509 V HA 0.601 4.719 4.120 -0.003 0.000 0.317 509 V C -0.219 175.919 176.094 0.073 0.000 1.094 509 V CA -1.039 61.293 62.300 0.053 0.000 1.000 509 V CB 1.984 33.821 31.823 0.024 0.000 1.060 509 V HN 0.804 nan 8.190 nan 0.000 0.443 510 N N 2.419 121.166 118.700 0.077 0.000 2.462 510 N HA 0.442 5.180 4.740 -0.003 0.000 0.242 510 N C -1.972 173.563 175.510 0.042 0.000 1.010 510 N CA -1.859 51.234 53.050 0.072 0.000 0.939 510 N CB 1.876 40.408 38.487 0.076 0.000 1.127 510 N HN 0.547 nan 8.380 nan 0.000 0.509 511 P HA -0.056 nan 4.420 nan 0.000 0.228 511 P C -0.043 177.263 177.300 0.011 0.000 1.151 511 P CA 0.955 64.070 63.100 0.025 0.000 0.770 511 P CB 0.235 31.956 31.700 0.034 0.000 0.786 512 N N -0.874 117.833 118.700 0.012 0.000 2.254 512 N HA 0.137 4.876 4.740 -0.003 0.000 0.190 512 N C 0.366 175.865 175.510 -0.019 0.000 1.107 512 N CA 0.264 53.310 53.050 -0.007 0.000 0.869 512 N CB 1.062 39.543 38.487 -0.010 0.000 0.983 512 N HN 0.240 nan 8.380 nan 0.000 0.487 513 I N 1.480 122.037 120.570 -0.023 0.000 2.447 513 I HA 0.273 4.441 4.170 -0.003 0.000 0.287 513 I C -0.550 175.529 176.117 -0.065 0.000 1.023 513 I CA -0.453 60.816 61.300 -0.051 0.000 1.083 513 I CB 1.729 39.690 38.000 -0.065 0.000 1.245 513 I HN -0.319 nan 8.210 nan 0.000 0.434 514 K N 3.277 123.637 120.400 -0.067 0.000 2.340 514 K HA 0.553 4.871 4.320 -0.003 0.000 0.244 514 K C -0.074 176.477 176.600 -0.081 0.000 0.973 514 K CA -0.789 55.458 56.287 -0.066 0.000 0.828 514 K CB 2.211 34.684 32.500 -0.045 0.000 1.226 514 K HN 0.640 nan 8.250 nan 0.000 0.437 515 T N -1.758 112.749 114.554 -0.078 0.000 2.726 515 T HA 0.185 4.534 4.350 -0.003 0.000 0.294 515 T C 1.414 176.081 174.700 -0.056 0.000 1.013 515 T CA -0.118 61.936 62.100 -0.076 0.000 0.996 515 T CB 1.016 69.845 68.868 -0.065 0.000 1.016 515 T HN 0.601 nan 8.240 nan 0.000 0.529 516 A N 0.641 123.431 122.820 -0.051 0.000 1.958 516 A HA -0.080 4.238 4.320 -0.003 0.000 0.221 516 A C 2.335 179.899 177.584 -0.034 0.000 1.178 516 A CA 2.193 54.207 52.037 -0.040 0.000 0.642 516 A CB -1.446 17.532 19.000 -0.036 0.000 0.816 516 A HN 1.495 nan 8.150 nan 0.000 0.453 517 V N -3.696 116.197 119.914 -0.034 0.000 3.573 517 V HA 0.496 4.614 4.120 -0.003 0.000 0.270 517 V C 1.299 177.375 176.094 -0.029 0.000 1.221 517 V CA 0.874 63.156 62.300 -0.030 0.000 1.163 517 V CB -0.894 30.912 31.823 -0.029 0.000 0.847 517 V HN 1.645 nan 8.190 nan 0.000 0.468 518 G N 0.417 109.197 108.800 -0.032 0.000 2.141 518 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.231 518 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.231 518 G C -0.126 174.757 174.900 -0.029 0.000 0.984 518 G CA 0.133 45.215 45.100 -0.030 0.000 0.660 518 G HN 0.598 nan 8.290 nan 0.000 0.525 519 N N 1.066 119.746 118.700 -0.033 0.000 2.518 519 N HA 0.329 5.067 4.740 -0.003 0.000 0.283 519 N C 0.215 175.704 175.510 -0.036 0.000 1.119 519 N CA -0.188 52.844 53.050 -0.030 0.000 0.983 519 N CB 0.858 39.329 38.487 -0.027 0.000 1.139 519 N HN 0.488 nan 8.380 nan 0.000 0.465 520 E N 0.594 120.778 120.200 -0.027 0.000 2.376 520 E HA 0.053 4.401 4.350 -0.003 0.000 0.266 520 E C 0.271 176.858 176.600 -0.022 0.000 1.009 520 E CA -0.354 56.032 56.400 -0.024 0.000 0.902 520 E CB 0.776 30.470 29.700 -0.011 0.000 0.972 520 E HN 0.360 nan 8.360 nan 0.000 0.439 521 V N 1.158 121.049 119.914 -0.038 0.000 2.872 521 V HA 0.613 4.732 4.120 -0.003 0.000 0.307 521 V C 0.550 176.708 176.094 0.108 0.000 1.072 521 V CA 0.233 62.521 62.300 -0.021 0.000 1.148 521 V CB 0.902 32.616 31.823 -0.181 0.000 0.954 521 V HN 0.713 nan 8.190 nan 0.000 0.490 522 G N 2.556 111.480 108.800 0.208 0.000 2.576 522 G HA2 0.578 4.536 3.960 -0.003 0.000 0.290 522 G HA3 0.578 4.536 3.960 -0.003 0.000 0.290 522 G C -2.270 172.708 174.900 0.130 0.000 1.442 522 G CA -0.718 44.474 45.100 0.154 0.000 0.792 522 G HN 0.851 nan 8.290 nan 0.000 0.491 523 Y N -0.145 120.087 120.300 -0.113 0.000 2.470 523 Y HA 0.683 5.231 4.550 -0.003 0.000 0.341 523 Y C 0.228 176.031 175.900 -0.163 0.000 1.021 523 Y CA -0.852 57.149 58.100 -0.166 0.000 1.025 523 Y CB 2.458 40.744 38.460 -0.290 0.000 1.266 523 Y HN 0.763 nan 8.280 nan 0.000 0.448 524 R N 3.776 124.279 120.500 0.006 0.000 2.711 524 R HA 0.706 5.045 4.340 -0.003 0.000 0.284 524 R C -1.914 174.424 176.300 0.063 0.000 0.968 524 R CA -0.982 55.124 56.100 0.010 0.000 0.924 524 R CB 1.553 31.842 30.300 -0.018 0.000 1.162 524 R HN 0.658 nan 8.270 nan 0.000 0.465 525 L N 4.918 126.172 121.223 0.052 0.000 2.283 525 L HA 0.376 4.715 4.340 -0.003 0.000 0.287 525 L C -0.902 175.976 176.870 0.012 0.000 1.073 525 L CA -0.031 54.836 54.840 0.044 0.000 0.822 525 L CB 0.645 42.675 42.059 -0.048 0.000 1.186 525 L HN 0.617 nan 8.230 nan 0.000 0.436 526 I N 8.628 129.230 120.570 0.053 0.000 2.310 526 I HA 0.311 4.479 4.170 -0.003 0.000 0.287 526 I C -1.990 174.164 176.117 0.063 0.000 1.073 526 I CA -1.717 59.605 61.300 0.036 0.000 1.216 526 I CB 0.633 38.656 38.000 0.038 0.000 1.415 526 I HN 0.521 nan 8.210 nan 0.000 0.480 527 P HA 0.244 nan 4.420 nan 0.000 0.276 527 P C -0.312 177.044 177.300 0.092 0.000 1.252 527 P CA -0.308 62.820 63.100 0.047 0.000 0.802 527 P CB 1.200 32.885 31.700 -0.026 0.000 1.035 528 A N 2.399 125.297 122.820 0.130 0.000 2.296 528 A HA 0.275 4.594 4.320 -0.003 0.000 0.264 528 A C 0.603 178.211 177.584 0.040 0.000 1.097 528 A CA -0.761 51.317 52.037 0.069 0.000 0.811 528 A CB -0.337 18.700 19.000 0.062 0.000 1.072 528 A HN 0.714 nan 8.150 nan 0.000 0.495 529 I N 1.735 122.312 120.570 0.012 0.000 2.826 529 I HA 0.093 4.262 4.170 -0.003 0.000 0.295 529 I C -1.659 174.448 176.117 -0.017 0.000 1.213 529 I CA -1.256 60.047 61.300 0.006 0.000 1.436 529 I CB 0.724 38.723 38.000 -0.003 0.000 1.348 529 I HN 0.447 nan 8.210 nan 0.000 0.570 530 P HA 0.282 nan 4.420 nan 0.000 0.278 530 P C -1.329 175.818 177.300 -0.255 0.000 1.238 530 P CA -0.502 62.522 63.100 -0.127 0.000 0.794 530 P CB 1.300 32.942 31.700 -0.096 0.000 0.955 531 A N 2.739 125.359 122.820 -0.333 0.000 2.325 531 A HA 0.657 4.975 4.320 -0.003 0.000 0.333 531 A C -0.375 176.985 177.584 -0.373 0.000 1.155 531 A CA -0.544 51.297 52.037 -0.327 0.000 0.814 531 A CB 0.731 19.438 19.000 -0.488 0.000 1.206 531 A HN 0.650 nan 8.150 nan 0.000 0.482 532 H N 0.665 119.890 119.070 0.258 0.000 2.771 532 H HA 0.481 5.035 4.556 -0.003 0.000 0.367 532 H C -2.561 172.965 175.328 0.331 0.000 1.172 532 H CA -1.854 54.326 56.048 0.221 0.000 1.186 532 H CB 1.494 31.317 29.762 0.102 0.000 1.790 532 H HN 0.431 nan 8.280 nan 0.000 0.556 533 P HA 0.105 nan 4.420 nan 0.000 0.271 533 P C 0.492 177.904 177.300 0.187 0.000 1.216 533 P CA -0.037 63.156 63.100 0.155 0.000 0.771 533 P CB 1.070 32.718 31.700 -0.087 0.000 0.864 534 L N 1.831 123.168 121.223 0.191 0.000 2.728 534 L HA 0.229 4.567 4.340 -0.003 0.000 0.238 534 L C 0.650 177.541 176.870 0.034 0.000 1.143 534 L CA 0.013 54.891 54.840 0.064 0.000 0.937 534 L CB -0.069 41.972 42.059 -0.030 0.000 1.225 534 L HN 0.228 nan 8.230 nan 0.000 0.507 535 L N -0.149 121.102 121.223 0.047 0.000 2.360 535 L HA 0.336 4.674 4.340 -0.003 0.000 0.271 535 L C 0.851 177.727 176.870 0.010 0.000 1.057 535 L CA -0.571 54.292 54.840 0.039 0.000 0.803 535 L CB 1.519 43.620 42.059 0.069 0.000 1.207 535 L HN 0.131 nan 8.230 nan 0.000 0.445 536 T N -2.614 111.941 114.554 0.001 0.000 2.856 536 T HA 0.009 4.357 4.350 -0.003 0.000 0.306 536 T C 0.834 175.512 174.700 -0.037 0.000 1.062 536 T CA -0.426 61.661 62.100 -0.023 0.000 1.083 536 T CB 1.027 69.880 68.868 -0.026 0.000 0.984 536 T HN 0.691 nan 8.240 nan 0.000 0.542 537 E N 0.419 120.589 120.200 -0.049 0.000 2.268 537 E HA -0.136 4.213 4.350 -0.003 0.000 0.195 537 E C 1.337 177.896 176.600 -0.067 0.000 0.995 537 E CA 1.085 57.450 56.400 -0.058 0.000 0.836 537 E CB 0.057 29.724 29.700 -0.055 0.000 0.763 537 E HN 0.849 nan 8.360 nan 0.000 0.491 538 D N -0.179 120.171 120.400 -0.084 0.000 2.350 538 D HA -0.069 4.570 4.640 -0.003 0.000 0.213 538 D C 0.315 176.469 176.300 -0.245 0.000 1.031 538 D CA -0.086 53.835 54.000 -0.133 0.000 0.861 538 D CB -0.170 40.564 40.800 -0.111 0.000 0.926 538 D HN -0.123 nan 8.370 nan 0.000 0.520 539 D N -0.175 120.118 120.400 -0.177 0.000 2.423 539 D HA -0.067 4.571 4.640 -0.003 0.000 0.238 539 D C 0.772 176.921 176.300 -0.251 0.000 1.142 539 D CA -0.169 53.710 54.000 -0.203 0.000 0.884 539 D CB 0.545 41.337 40.800 -0.013 0.000 1.199 539 D HN -0.042 nan 8.370 nan 0.000 0.438 540 Y N 2.420 122.697 120.300 -0.037 0.000 2.128 540 Y HA -0.137 4.411 4.550 -0.003 0.000 0.284 540 Y C -0.509 175.361 175.900 -0.050 0.000 1.154 540 Y CA 1.287 59.296 58.100 -0.151 0.000 1.149 540 Y CB -1.656 36.466 38.460 -0.564 0.000 0.976 540 Y HN 0.503 nan 8.280 nan 0.000 0.505 541 P HA -0.166 nan 4.420 nan 0.000 0.217 541 P C 1.370 178.781 177.300 0.186 0.000 1.150 541 P CA 1.556 64.822 63.100 0.276 0.000 0.832 541 P CB 0.097 32.056 31.700 0.432 0.000 0.787 542 Q N -0.122 119.753 119.800 0.126 0.000 2.167 542 Q HA -0.036 4.302 4.340 -0.003 0.000 0.202 542 Q C 2.089 178.032 176.000 -0.094 0.000 0.970 542 Q CA 1.193 56.996 55.803 0.000 0.000 0.855 542 Q CB -1.135 27.606 28.738 0.005 0.000 0.911 542 Q HN 0.220 nan 8.270 nan 0.000 0.438 543 I N -0.564 119.987 120.570 -0.032 0.000 2.286 543 I HA -0.237 3.931 4.170 -0.003 0.000 0.245 543 I C 2.093 178.186 176.117 -0.040 0.000 1.104 543 I CA 1.057 62.348 61.300 -0.015 0.000 1.397 543 I CB -0.099 37.946 38.000 0.076 0.000 1.072 543 I HN 0.100 nan 8.210 nan 0.000 0.417 544 R N 0.382 120.880 120.500 -0.003 0.000 2.115 544 R HA 0.007 4.345 4.340 -0.003 0.000 0.226 544 R C 1.611 177.836 176.300 -0.124 0.000 1.100 544 R CA 1.114 57.180 56.100 -0.057 0.000 0.980 544 R CB -0.341 29.925 30.300 -0.057 0.000 0.875 544 R HN 0.339 nan 8.270 nan 0.000 0.445 545 G N -0.338 108.239 108.800 -0.371 0.000 3.814 545 G HA2 0.283 4.241 3.960 -0.003 0.000 0.293 545 G HA3 0.283 4.241 3.960 -0.003 0.000 0.293 545 G C 0.778 175.093 174.900 -0.975 0.000 1.243 545 G CA 0.013 44.487 45.100 -1.044 0.000 1.053 545 G HN 0.253 nan 8.290 nan 0.000 0.562 546 A N 0.652 123.176 122.820 -0.493 0.000 2.216 546 A HA 0.107 4.425 4.320 -0.003 0.000 0.214 546 A C 1.802 179.282 177.584 -0.174 0.000 1.160 546 A CA 0.903 52.776 52.037 -0.273 0.000 0.725 546 A CB -0.555 18.370 19.000 -0.124 0.000 0.784 546 A HN 0.745 nan 8.150 nan 0.000 0.472 547 F N 0.081 119.913 119.950 -0.196 0.000 2.604 547 F HA 0.020 4.545 4.527 -0.003 0.000 0.298 547 F C 1.759 177.619 175.800 0.100 0.000 1.131 547 F CA 1.241 59.077 58.000 -0.273 0.000 1.457 547 F CB -1.490 37.208 39.000 -0.503 0.000 1.095 547 F HN 0.129 nan 8.300 nan 0.000 0.574 548 T N -3.392 111.028 114.554 -0.223 0.000 3.129 548 T HA 0.095 4.443 4.350 -0.003 0.000 0.251 548 T C 1.142 175.773 174.700 -0.114 0.000 1.117 548 T CA 0.376 62.363 62.100 -0.187 0.000 1.034 548 T CB -1.088 67.366 68.868 -0.690 0.000 0.968 548 T HN 0.504 nan 8.240 nan 0.000 0.526 549 N N -0.337 118.362 118.700 -0.001 0.000 2.494 549 N HA 0.097 4.835 4.740 -0.003 0.000 0.182 549 N C -0.819 174.234 175.510 -0.761 0.000 1.076 549 N CA 0.441 53.320 53.050 -0.285 0.000 0.908 549 N CB 0.148 38.509 38.487 -0.209 0.000 0.967 549 N HN 0.422 nan 8.380 nan 0.000 0.449 550 Y N -0.978 119.264 120.300 -0.096 0.000 2.576 550 Y HA 0.270 4.819 4.550 -0.003 0.000 0.346 550 Y C 0.336 176.226 175.900 -0.017 0.000 1.018 550 Y CA -1.060 56.859 58.100 -0.302 0.000 1.050 550 Y CB 1.341 39.202 38.460 -0.998 0.000 1.280 550 Y HN -0.207 nan 8.280 nan 0.000 0.474 551 N N -0.280 118.538 118.700 0.197 0.000 2.376 551 N HA 0.118 4.857 4.740 -0.003 0.000 0.177 551 N C -0.922 174.804 175.510 0.359 0.000 1.024 551 N CA 0.623 53.823 53.050 0.250 0.000 0.893 551 N CB 0.571 39.200 38.487 0.237 0.000 0.980 551 N HN 0.176 nan 8.380 nan 0.000 0.439 552 V N 0.198 120.252 119.914 0.234 0.000 2.760 552 V HA 0.468 4.587 4.120 -0.003 0.000 0.309 552 V C -1.587 174.563 176.094 0.093 0.000 1.077 552 V CA -0.856 61.590 62.300 0.243 0.000 0.910 552 V CB 1.714 33.618 31.823 0.134 0.000 1.008 552 V HN 0.129 nan 8.190 nan 0.000 0.424 553 W N 2.324 123.686 121.300 0.104 0.000 3.032 553 W HA 0.810 5.468 4.660 -0.003 0.000 0.335 553 W C -0.977 175.575 176.519 0.055 0.000 1.154 553 W CA -0.856 56.509 57.345 0.033 0.000 1.204 553 W CB 1.826 31.288 29.460 0.003 0.000 1.416 553 W HN 0.296 nan 8.180 nan 0.000 0.521 554 V N 2.478 122.501 119.914 0.181 0.000 2.588 554 V HA 0.759 4.878 4.120 -0.003 0.000 0.304 554 V C -0.146 176.077 176.094 0.215 0.000 1.042 554 V CA -0.721 61.630 62.300 0.086 0.000 0.877 554 V CB 1.686 33.351 31.823 -0.264 0.000 0.996 554 V HN 0.600 nan 8.190 nan 0.000 0.425 555 T N 1.536 116.265 114.554 0.292 0.000 2.916 555 T HA 0.850 5.199 4.350 -0.003 0.000 0.292 555 T C -0.129 174.694 174.700 0.205 0.000 1.064 555 T CA -0.539 61.729 62.100 0.279 0.000 1.011 555 T CB 1.957 71.073 68.868 0.413 0.000 1.152 555 T HN 0.998 nan 8.240 nan 0.000 0.510 556 A N 1.340 124.258 122.820 0.163 0.000 2.440 556 A HA 0.450 4.768 4.320 -0.003 0.000 0.251 556 A C -0.170 177.506 177.584 0.153 0.000 1.089 556 A CA -0.499 51.620 52.037 0.136 0.000 0.779 556 A CB -0.525 18.534 19.000 0.098 0.000 1.022 556 A HN 0.886 nan 8.150 nan 0.000 0.492 557 Y N 2.903 123.219 120.300 0.027 0.000 2.805 557 Y HA 0.191 4.739 4.550 -0.003 0.000 0.337 557 Y C 0.298 176.196 175.900 -0.003 0.000 1.252 557 Y CA 1.226 59.334 58.100 0.013 0.000 1.515 557 Y CB 0.350 38.788 38.460 -0.038 0.000 1.305 557 Y HN 0.746 nan 8.280 nan 0.000 0.600 558 N N 5.201 123.386 118.700 -0.858 0.000 2.578 558 N HA 0.126 4.864 4.740 -0.003 0.000 0.282 558 N C 0.096 175.097 175.510 -0.848 0.000 1.119 558 N CA -0.609 52.036 53.050 -0.675 0.000 0.948 558 N CB 1.047 39.316 38.487 -0.365 0.000 1.546 558 N HN 0.913 nan 8.380 nan 0.000 0.525 559 R N 0.948 121.014 120.500 -0.722 0.000 2.170 559 R HA -0.116 4.222 4.340 -0.003 0.000 0.242 559 R C 1.310 177.386 176.300 -0.374 0.000 1.145 559 R CA 2.328 58.157 56.100 -0.451 0.000 0.984 559 R CB 0.083 30.272 30.300 -0.186 0.000 0.869 559 R HN 0.706 nan 8.270 nan 0.000 0.455 560 T N -3.043 111.276 114.554 -0.391 0.000 3.044 560 T HA 0.090 4.438 4.350 -0.003 0.000 0.250 560 T C 0.237 174.638 174.700 -0.500 0.000 1.081 560 T CA -0.141 61.724 62.100 -0.391 0.000 1.040 560 T CB 0.240 68.905 68.868 -0.338 0.000 0.962 560 T HN 0.158 nan 8.240 nan 0.000 0.506 561 E N 1.381 121.241 120.200 -0.567 0.000 2.003 561 E HA 0.278 4.626 4.350 -0.003 0.000 0.279 561 E C 0.257 176.704 176.600 -0.256 0.000 1.132 561 E CA -0.191 55.751 56.400 -0.763 0.000 0.888 561 E CB 0.826 30.057 29.700 -0.781 0.000 1.056 561 E HN 0.503 nan 8.360 nan 0.000 0.399 562 K N 1.724 121.959 120.400 -0.276 0.000 2.548 562 K HA 0.128 4.447 4.320 -0.003 0.000 0.209 562 K C -0.440 175.957 176.600 -0.337 0.000 1.420 562 K CA 0.059 56.057 56.287 -0.481 0.000 0.985 562 K CB 0.723 32.479 32.500 -1.240 0.000 1.249 562 K HN 0.311 nan 8.250 nan 0.000 0.557 563 W N 0.763 122.253 121.300 0.317 0.000 2.411 563 W HA 0.469 5.127 4.660 -0.003 0.000 0.317 563 W C 0.705 177.318 176.519 0.156 0.000 1.030 563 W CA -0.863 56.590 57.345 0.180 0.000 1.239 563 W CB 1.270 30.732 29.460 0.003 0.000 1.304 563 W HN -0.025 nan 8.180 nan 0.000 0.437 564 A N 2.366 125.223 122.820 0.060 0.000 1.969 564 A HA 0.022 4.340 4.320 -0.003 0.000 0.218 564 A C 1.983 179.272 177.584 -0.492 0.000 1.169 564 A CA 1.817 53.532 52.037 -0.536 0.000 0.635 564 A CB -0.704 17.777 19.000 -0.864 0.000 0.810 564 A HN 0.860 nan 8.150 nan 0.000 0.445 565 G N -1.698 106.976 108.800 -0.211 0.000 3.042 565 G HA2 0.470 4.429 3.960 -0.003 0.000 0.212 565 G HA3 0.470 4.429 3.960 -0.003 0.000 0.212 565 G C 0.704 175.595 174.900 -0.016 0.000 1.166 565 G CA 0.642 45.773 45.100 0.052 0.000 0.767 565 G HN 1.604 nan 8.290 nan 0.000 0.546 566 G N -1.039 107.799 108.800 0.063 0.000 2.459 566 G HA2 0.050 4.008 3.960 -0.003 0.000 0.685 566 G HA3 0.050 4.008 3.960 -0.003 0.000 0.685 566 G C 0.189 175.127 174.900 0.064 0.000 1.303 566 G CA -0.195 44.981 45.100 0.126 0.000 0.907 566 G HN 0.604 nan 8.290 nan 0.000 0.632 567 L N -0.237 120.993 121.223 0.012 0.000 2.083 567 L HA 0.273 4.611 4.340 -0.003 0.000 0.209 567 L C 0.787 177.284 176.870 -0.622 0.000 1.083 567 L CA 1.451 56.104 54.840 -0.311 0.000 0.752 567 L CB -0.574 41.255 42.059 -0.384 0.000 0.899 567 L HN 0.544 nan 8.230 nan 0.000 0.433 568 Y N -1.452 118.749 120.300 -0.165 0.000 2.334 568 Y HA 0.387 4.936 4.550 -0.003 0.000 0.336 568 Y C 0.851 176.652 175.900 -0.165 0.000 0.960 568 Y CA -0.542 57.438 58.100 -0.201 0.000 1.164 568 Y CB 1.404 39.692 38.460 -0.286 0.000 1.155 568 Y HN -0.299 nan 8.280 nan 0.000 0.478 569 V N 0.137 120.011 119.914 -0.067 0.000 3.048 569 V HA -0.032 4.086 4.120 -0.003 0.000 0.241 569 V C 0.299 176.299 176.094 -0.157 0.000 1.129 569 V CA 0.293 62.491 62.300 -0.170 0.000 1.128 569 V CB -0.020 31.679 31.823 -0.207 0.000 0.849 569 V HN 0.656 nan 8.190 nan 0.000 0.475 570 D N 0.346 120.726 120.400 -0.033 0.000 2.450 570 D HA -0.021 4.617 4.640 -0.003 0.000 0.247 570 D C 0.831 177.217 176.300 0.144 0.000 1.162 570 D CA 0.621 54.623 54.000 0.004 0.000 0.879 570 D CB -0.116 40.735 40.800 0.086 0.000 1.163 570 D HN 0.460 nan 8.370 nan 0.000 0.472 571 H N 0.885 120.029 119.070 0.123 0.000 3.080 571 H HA -0.193 4.361 4.556 -0.003 0.000 0.254 571 H C 0.189 175.508 175.328 -0.015 0.000 1.179 571 H CA 0.909 57.055 56.048 0.163 0.000 1.144 571 H CB -2.167 27.814 29.762 0.365 0.000 1.261 571 H HN 0.510 nan 8.280 nan 0.000 0.333 572 S N 0.445 116.113 115.700 -0.053 0.000 2.580 572 S HA 0.316 4.784 4.470 -0.003 0.000 0.266 572 S C 1.263 175.685 174.600 -0.296 0.000 1.354 572 S CA -0.221 57.882 58.200 -0.162 0.000 1.008 572 S CB 1.542 64.621 63.200 -0.201 0.000 0.898 572 S HN 0.449 nan 8.310 nan 0.000 0.555 573 R N 0.223 120.454 120.500 -0.449 0.000 2.508 573 R HA 0.288 4.626 4.340 -0.003 0.000 0.300 573 R C 1.126 177.227 176.300 -0.331 0.000 0.970 573 R CA 0.315 55.917 56.100 -0.830 0.000 1.102 573 R CB 0.323 29.856 30.300 -1.278 0.000 1.246 573 R HN 1.121 nan 8.270 nan 0.000 0.539 574 G N 2.867 111.568 108.800 -0.164 0.000 2.198 574 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.257 574 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.257 574 G C 0.370 175.228 174.900 -0.070 0.000 1.042 574 G CA 0.668 45.716 45.100 -0.087 0.000 0.791 574 G HN 0.560 nan 8.290 nan 0.000 0.502 575 D N -0.835 119.526 120.400 -0.064 0.000 2.367 575 D HA 0.108 4.746 4.640 -0.003 0.000 0.207 575 D C 0.735 177.055 176.300 0.033 0.000 1.034 575 D CA 0.725 54.718 54.000 -0.012 0.000 0.861 575 D CB 0.463 41.265 40.800 0.004 0.000 0.943 575 D HN 0.288 nan 8.370 nan 0.000 0.515 576 D N 1.033 121.448 120.400 0.025 0.000 2.895 576 D HA 0.069 4.707 4.640 -0.003 0.000 0.350 576 D C -0.415 175.911 176.300 0.044 0.000 1.389 576 D CA -0.273 53.808 54.000 0.136 0.000 0.812 576 D CB 0.455 41.354 40.800 0.165 0.000 1.164 576 D HN 0.071 nan 8.370 nan 0.000 0.455 577 T N -2.716 111.679 114.554 -0.265 0.000 2.936 577 T HA 0.236 4.584 4.350 -0.003 0.000 0.282 577 T C 1.390 175.181 174.700 -1.515 0.000 1.003 577 T CA -0.802 60.916 62.100 -0.637 0.000 1.005 577 T CB 1.284 69.942 68.868 -0.350 0.000 1.097 577 T HN -0.051 nan 8.240 nan 0.000 0.532 578 L N 1.476 121.630 121.223 -1.783 0.000 2.051 578 L HA -0.005 4.333 4.340 -0.003 0.000 0.214 578 L C 2.740 178.905 176.870 -1.175 0.000 1.076 578 L CA 2.608 56.270 54.840 -1.963 0.000 0.758 578 L CB -1.515 39.389 42.059 -1.925 0.000 0.890 578 L HN 0.928 nan 8.230 nan 0.000 0.433 579 A N -1.332 121.023 122.820 -0.774 0.000 1.940 579 A HA -0.173 4.146 4.320 -0.003 0.000 0.219 579 A C 2.265 179.765 177.584 -0.139 0.000 1.176 579 A CA 2.176 54.078 52.037 -0.225 0.000 0.631 579 A CB -1.066 17.918 19.000 -0.026 0.000 0.814 579 A HN 0.354 nan 8.150 nan 0.000 0.446 580 V N -1.552 118.215 119.914 -0.244 0.000 2.323 580 V HA -0.203 3.916 4.120 -0.003 0.000 0.244 580 V C 2.383 178.511 176.094 0.058 0.000 1.041 580 V CA 1.442 63.701 62.300 -0.068 0.000 1.025 580 V CB -1.005 30.792 31.823 -0.043 0.000 0.656 580 V HN 0.801 nan 8.190 nan 0.000 0.451 581 W N 0.978 122.227 121.300 -0.085 0.000 2.350 581 W HA -0.165 4.493 4.660 -0.003 0.000 0.289 581 W C 2.545 179.041 176.519 -0.037 0.000 1.215 581 W CA 1.844 59.144 57.345 -0.075 0.000 1.236 581 W CB -2.092 27.294 29.460 -0.124 0.000 1.130 581 W HN 0.510 nan 8.180 nan 0.000 0.541 582 T N -2.183 112.465 114.554 0.156 0.000 3.160 582 T HA 0.039 4.387 4.350 -0.003 0.000 0.257 582 T C 1.445 176.221 174.700 0.128 0.000 1.147 582 T CA 0.581 62.775 62.100 0.156 0.000 1.064 582 T CB -0.177 68.810 68.868 0.199 0.000 0.949 582 T HN 0.042 nan 8.240 nan 0.000 0.526 583 K N 1.019 121.487 120.400 0.113 0.000 2.365 583 K HA 0.038 4.356 4.320 -0.003 0.000 0.199 583 K C 2.459 179.106 176.600 0.078 0.000 1.045 583 K CA 0.758 57.097 56.287 0.087 0.000 0.962 583 K CB -0.059 32.486 32.500 0.076 0.000 0.759 583 K HN 0.535 nan 8.250 nan 0.000 0.469 584 Q N 0.382 120.235 119.800 0.088 0.000 2.291 584 Q HA -0.099 4.240 4.340 -0.003 0.000 0.205 584 Q C 0.137 176.176 176.000 0.066 0.000 0.970 584 Q CA 0.366 56.211 55.803 0.070 0.000 0.876 584 Q CB -0.198 28.580 28.738 0.065 0.000 0.935 584 Q HN 0.195 nan 8.270 nan 0.000 0.455 585 N N 1.310 120.056 118.700 0.077 0.000 2.696 585 N HA -0.163 4.576 4.740 -0.003 0.000 0.256 585 N C -1.254 174.294 175.510 0.064 0.000 1.031 585 N CA 0.467 53.558 53.050 0.069 0.000 0.730 585 N CB -0.544 37.975 38.487 0.053 0.000 0.894 585 N HN 0.264 nan 8.380 nan 0.000 0.544 586 R N 0.384 120.927 120.500 0.073 0.000 2.774 586 R HA 0.180 4.518 4.340 -0.003 0.000 0.269 586 R C 0.387 176.728 176.300 0.069 0.000 1.068 586 R CA -0.189 55.951 56.100 0.067 0.000 1.180 586 R CB 0.481 30.823 30.300 0.070 0.000 1.077 586 R HN 0.348 nan 8.270 nan 0.000 0.513 587 E N 1.439 121.677 120.200 0.064 0.000 2.360 587 E HA 0.049 4.397 4.350 -0.003 0.000 0.269 587 E C 0.395 177.042 176.600 0.079 0.000 1.022 587 E CA 0.094 56.534 56.400 0.067 0.000 0.887 587 E CB 0.579 30.315 29.700 0.060 0.000 0.990 587 E HN 0.523 nan 8.360 nan 0.000 0.426 588 I N -0.813 119.810 120.570 0.088 0.000 3.966 588 I HA 0.241 4.409 4.170 -0.003 0.000 0.324 588 I C -0.574 175.606 176.117 0.106 0.000 1.517 588 I CA -0.503 60.858 61.300 0.101 0.000 1.117 588 I CB 0.800 38.869 38.000 0.115 0.000 1.190 588 I HN 0.057 nan 8.210 nan 0.000 0.466 589 V N 2.947 122.917 119.914 0.093 0.000 2.432 589 V HA 0.227 4.345 4.120 -0.003 0.000 0.271 589 V C 0.774 176.928 176.094 0.101 0.000 1.046 589 V CA -0.154 62.201 62.300 0.092 0.000 0.945 589 V CB 0.545 32.413 31.823 0.074 0.000 0.992 589 V HN 0.684 nan 8.190 nan 0.000 0.471 590 N N 3.765 122.532 118.700 0.112 0.000 2.725 590 N HA -0.214 4.524 4.740 -0.003 0.000 0.251 590 N C -0.313 175.325 175.510 0.214 0.000 1.031 590 N CA 1.128 54.270 53.050 0.153 0.000 0.720 590 N CB -0.584 37.982 38.487 0.131 0.000 0.930 590 N HN 0.877 nan 8.380 nan 0.000 0.543 591 K N -0.653 119.806 120.400 0.098 0.000 2.409 591 K HA 0.305 4.623 4.320 -0.003 0.000 0.252 591 K C -0.906 175.617 176.600 -0.128 0.000 1.036 591 K CA -0.985 55.287 56.287 -0.025 0.000 0.871 591 K CB 0.735 33.254 32.500 0.031 0.000 1.374 591 K HN 0.021 nan 8.250 nan 0.000 0.459 592 D N 2.368 122.648 120.400 -0.200 0.000 2.382 592 D HA 0.191 4.829 4.640 -0.003 0.000 0.259 592 D C -0.572 175.731 176.300 0.006 0.000 1.224 592 D CA 0.101 54.010 54.000 -0.152 0.000 0.894 592 D CB -0.018 40.635 40.800 -0.245 0.000 1.127 592 D HN 0.423 nan 8.370 nan 0.000 0.487 593 I N 0.085 120.673 120.570 0.029 0.000 3.145 593 I HA 0.699 4.868 4.170 -0.003 0.000 0.313 593 I C -1.088 175.066 176.117 0.061 0.000 1.122 593 I CA -1.087 60.263 61.300 0.083 0.000 0.987 593 I CB 2.251 40.306 38.000 0.091 0.000 1.236 593 I HN -0.012 nan 8.210 nan 0.000 0.453 594 V N 2.998 122.934 119.914 0.037 0.000 2.841 594 V HA 0.484 4.602 4.120 -0.003 0.000 0.310 594 V C -0.449 175.541 176.094 -0.173 0.000 1.090 594 V CA -0.470 61.734 62.300 -0.161 0.000 0.930 594 V CB 1.947 33.572 31.823 -0.330 0.000 1.014 594 V HN 0.857 nan 8.190 nan 0.000 0.425 595 M N 3.699 123.151 119.600 -0.247 0.000 2.472 595 M HA 0.643 5.121 4.480 -0.003 0.000 0.331 595 M C -2.120 174.020 176.300 -0.267 0.000 1.170 595 M CA -0.191 55.052 55.300 -0.096 0.000 1.009 595 M CB 1.832 34.501 32.600 0.114 0.000 1.672 595 M HN 0.682 nan 8.290 nan 0.000 0.453 596 W N 2.805 124.131 121.300 0.043 0.000 2.600 596 W HA 0.435 5.094 4.660 -0.003 0.000 0.325 596 W C -1.038 175.632 176.519 0.251 0.000 1.034 596 W CA -0.278 57.129 57.345 0.103 0.000 1.226 596 W CB 0.787 30.282 29.460 0.060 0.000 1.379 596 W HN 0.558 nan 8.180 nan 0.000 0.466 597 H N 1.787 121.030 119.070 0.288 0.000 2.609 597 H HA 0.659 5.213 4.556 -0.003 0.000 0.344 597 H C -1.385 174.086 175.328 0.238 0.000 1.040 597 H CA -0.999 55.138 56.048 0.148 0.000 1.216 597 H CB 1.417 31.047 29.762 -0.221 0.000 1.529 597 H HN 0.208 nan 8.280 nan 0.000 0.519 598 V N 6.460 126.372 119.914 -0.004 0.000 2.383 598 V HA 0.271 4.390 4.120 -0.003 0.000 0.275 598 V C -0.123 175.838 176.094 -0.222 0.000 1.036 598 V CA -0.721 61.613 62.300 0.057 0.000 0.889 598 V CB 1.118 33.112 31.823 0.285 0.000 0.985 598 V HN 0.571 nan 8.190 nan 0.000 0.459 599 V N 4.396 124.270 119.914 -0.065 0.000 2.427 599 V HA 0.899 5.017 4.120 -0.003 0.000 0.286 599 V C 0.655 176.834 176.094 0.140 0.000 1.034 599 V CA 0.046 62.320 62.300 -0.043 0.000 0.893 599 V CB 1.501 33.342 31.823 0.029 0.000 0.982 599 V HN 1.017 nan 8.190 nan 0.000 0.452 600 G N 4.367 113.153 108.800 -0.023 0.000 2.690 600 G HA2 0.779 4.737 3.960 -0.003 0.000 0.293 600 G HA3 0.779 4.737 3.960 -0.003 0.000 0.293 600 G C -1.538 173.099 174.900 -0.437 0.000 1.399 600 G CA -0.583 44.335 45.100 -0.303 0.000 0.890 600 G HN 0.556 nan 8.290 nan 0.000 0.485 601 I N 1.142 121.385 120.570 -0.546 0.000 2.533 601 I HA 0.319 4.487 4.170 -0.003 0.000 0.290 601 I C -0.874 174.945 176.117 -0.497 0.000 1.056 601 I CA -1.028 60.009 61.300 -0.437 0.000 1.057 601 I CB 2.360 40.205 38.000 -0.259 0.000 1.240 601 I HN 0.379 nan 8.210 nan 0.000 0.423 602 H N 4.463 123.390 119.070 -0.239 0.000 2.562 602 H HA 0.286 4.840 4.556 -0.003 0.000 0.314 602 H C -0.921 174.314 175.328 -0.154 0.000 1.079 602 H CA -0.104 55.815 56.048 -0.215 0.000 1.349 602 H CB 1.112 30.771 29.762 -0.171 0.000 1.432 602 H HN 0.580 nan 8.280 nan 0.000 0.479 603 H N 3.119 122.049 119.070 -0.234 0.000 2.638 603 H HA 0.329 4.883 4.556 -0.003 0.000 0.303 603 H C -1.037 174.166 175.328 -0.208 0.000 1.034 603 H CA -0.794 55.078 56.048 -0.294 0.000 1.225 603 H CB 0.594 30.055 29.762 -0.503 0.000 1.394 603 H HN 0.258 nan 8.280 nan 0.000 0.477 604 V N 7.955 127.981 119.914 0.187 0.000 2.318 604 V HA 0.197 4.315 4.120 -0.003 0.000 0.271 604 V C -2.024 174.197 176.094 0.212 0.000 1.030 604 V CA -1.628 60.779 62.300 0.178 0.000 0.844 604 V CB 0.582 32.455 31.823 0.083 0.000 1.015 604 V HN 0.798 nan 8.190 nan 0.000 0.460 605 P HA 0.431 nan 4.420 nan 0.000 0.269 605 P C -0.446 176.913 177.300 0.099 0.000 1.215 605 P CA 0.166 63.285 63.100 0.032 0.000 0.780 605 P CB 0.805 32.446 31.700 -0.098 0.000 0.898 606 A N 1.574 124.468 122.820 0.124 0.000 2.527 606 A HA 0.290 4.609 4.320 -0.003 0.000 0.293 606 A C 0.840 178.479 177.584 0.092 0.000 1.117 606 A CA -0.513 51.576 52.037 0.086 0.000 0.723 606 A CB 0.993 20.044 19.000 0.084 0.000 1.313 606 A HN 0.509 nan 8.150 nan 0.000 0.411 607 Q N -0.317 119.520 119.800 0.063 0.000 2.297 607 Q HA -0.199 4.139 4.340 -0.003 0.000 0.208 607 Q C 0.751 176.839 176.000 0.146 0.000 0.981 607 Q CA 1.940 57.794 55.803 0.085 0.000 0.876 607 Q CB -0.004 28.757 28.738 0.039 0.000 0.921 607 Q HN 0.803 nan 8.270 nan 0.000 0.446 608 E N 0.452 120.720 120.200 0.112 0.000 2.358 608 E HA -0.102 4.246 4.350 -0.003 0.000 0.195 608 E C 0.947 177.614 176.600 0.112 0.000 1.010 608 E CA 0.568 57.029 56.400 0.102 0.000 0.856 608 E CB 0.167 29.906 29.700 0.065 0.000 0.795 608 E HN 0.247 nan 8.360 nan 0.000 0.504 609 D N -0.576 119.911 120.400 0.145 0.000 2.348 609 D HA -0.050 4.588 4.640 -0.003 0.000 0.216 609 D C -0.389 176.014 176.300 0.171 0.000 0.970 609 D CA 0.457 54.551 54.000 0.156 0.000 0.889 609 D CB 0.056 40.988 40.800 0.220 0.000 0.912 609 D HN 0.081 nan 8.370 nan 0.000 0.524 610 F N 1.121 121.100 119.950 0.050 0.000 2.443 610 F HA 0.321 4.847 4.527 -0.003 0.000 0.335 610 F C -1.705 174.127 175.800 0.053 0.000 1.104 610 F CA -2.253 55.777 58.000 0.050 0.000 1.013 610 F CB 1.998 41.024 39.000 0.044 0.000 1.136 610 F HN -0.244 nan 8.300 nan 0.000 0.470 611 P HA 0.166 nan 4.420 nan 0.000 0.251 611 P C -0.264 176.789 177.300 -0.412 0.000 1.223 611 P CA 0.796 63.243 63.100 -1.087 0.000 0.796 611 P CB 1.064 32.235 31.700 -0.881 0.000 1.068 612 I N -0.210 120.230 120.570 -0.216 0.000 2.865 612 I HA 0.430 4.598 4.170 -0.003 0.000 0.302 612 I C -0.983 175.088 176.117 -0.076 0.000 1.140 612 I CA -1.986 59.221 61.300 -0.155 0.000 1.021 612 I CB 2.801 40.674 38.000 -0.212 0.000 1.233 612 I HN -0.275 nan 8.210 nan 0.000 0.427 613 M N 8.336 127.900 119.600 -0.060 0.000 2.268 613 M HA 0.636 5.114 4.480 -0.003 0.000 0.344 613 M C -2.580 173.701 176.300 -0.031 0.000 1.106 613 M CA -1.471 53.820 55.300 -0.015 0.000 1.010 613 M CB 1.538 34.155 32.600 0.027 0.000 1.649 613 M HN 0.159 nan 8.290 nan 0.000 0.443 614 P HA 0.071 nan 4.420 nan 0.000 0.264 614 P C -0.643 176.632 177.300 -0.043 0.000 1.193 614 P CA -0.274 62.812 63.100 -0.024 0.000 0.763 614 P CB 0.305 32.000 31.700 -0.009 0.000 0.810 615 L N 3.590 124.785 121.223 -0.046 0.000 2.593 615 L HA -0.031 4.307 4.340 -0.003 0.000 0.287 615 L C 0.134 176.959 176.870 -0.075 0.000 1.243 615 L CA 0.871 55.675 54.840 -0.060 0.000 0.890 615 L CB -0.297 41.733 42.059 -0.049 0.000 1.134 615 L HN 0.295 nan 8.230 nan 0.000 0.502 616 L N 4.152 125.313 121.223 -0.104 0.000 2.381 616 L HA 0.622 4.960 4.340 -0.003 0.000 0.274 616 L C -0.523 176.269 176.870 -0.130 0.000 0.988 616 L CA 0.353 55.116 54.840 -0.129 0.000 0.824 616 L CB 1.903 43.848 42.059 -0.190 0.000 1.263 616 L HN 0.611 nan 8.230 nan 0.000 0.410 617 S N 2.484 118.116 115.700 -0.114 0.000 2.599 617 S HA 0.890 5.358 4.470 -0.003 0.000 0.294 617 S C -0.899 173.636 174.600 -0.109 0.000 1.094 617 S CA -0.233 57.902 58.200 -0.109 0.000 0.931 617 S CB 1.761 64.911 63.200 -0.084 0.000 1.093 617 S HN 0.833 nan 8.310 nan 0.000 0.488 618 T N 0.737 115.222 114.554 -0.115 0.000 2.802 618 T HA 0.708 5.056 4.350 -0.003 0.000 0.311 618 T C -1.747 172.895 174.700 -0.097 0.000 1.405 618 T CA -0.297 61.747 62.100 -0.095 0.000 1.016 618 T CB 1.534 70.344 68.868 -0.097 0.000 1.352 618 T HN 0.766 nan 8.240 nan 0.000 0.498 619 S N 1.162 116.832 115.700 -0.050 0.000 2.580 619 S HA 0.711 5.179 4.470 -0.003 0.000 0.281 619 S C -1.988 172.619 174.600 0.010 0.000 1.129 619 S CA -0.740 57.393 58.200 -0.112 0.000 0.862 619 S CB 0.571 63.687 63.200 -0.140 0.000 1.090 619 S HN 0.857 nan 8.310 nan 0.000 0.451 620 F N 1.122 120.970 119.950 -0.171 0.000 2.650 620 F HA 0.903 5.429 4.527 -0.003 0.000 0.320 620 F C -0.616 175.094 175.800 -0.149 0.000 1.091 620 F CA -0.883 57.042 58.000 -0.125 0.000 0.962 620 F CB 1.208 40.158 39.000 -0.083 0.000 1.363 620 F HN 0.633 nan 8.300 nan 0.000 0.482 621 E N 1.166 121.397 120.200 0.051 0.000 2.266 621 E HA 0.597 4.945 4.350 -0.003 0.000 0.268 621 E C -2.029 174.631 176.600 0.101 0.000 0.879 621 E CA -0.910 55.464 56.400 -0.043 0.000 0.762 621 E CB 2.137 31.826 29.700 -0.019 0.000 1.199 621 E HN 0.829 nan 8.360 nan 0.000 0.422 622 L N 4.375 125.659 121.223 0.100 0.000 2.295 622 L HA 0.528 4.866 4.340 -0.003 0.000 0.281 622 L C 0.025 177.073 176.870 0.297 0.000 1.018 622 L CA -0.485 54.527 54.840 0.287 0.000 0.841 622 L CB 1.147 43.444 42.059 0.397 0.000 1.218 622 L HN 0.363 nan 8.230 nan 0.000 0.424 623 R N 4.709 125.298 120.500 0.148 0.000 2.387 623 R HA 0.474 4.812 4.340 -0.003 0.000 0.314 623 R C -2.542 173.513 176.300 -0.408 0.000 0.958 623 R CA -1.869 54.206 56.100 -0.041 0.000 0.846 623 R CB 1.850 32.141 30.300 -0.015 0.000 1.147 623 R HN 0.173 nan 8.270 nan 0.000 0.447 624 P HA 0.005 nan 4.420 nan 0.000 0.261 624 P C -1.058 176.046 177.300 -0.327 0.000 1.183 624 P CA 0.298 62.833 63.100 -0.942 0.000 0.761 624 P CB 0.698 32.169 31.700 -0.382 0.000 0.785 625 T N 4.078 118.488 114.554 -0.240 0.000 3.150 625 T HA 0.226 4.574 4.350 -0.003 0.000 0.383 625 T C 0.007 174.695 174.700 -0.020 0.000 1.313 625 T CA -0.471 61.580 62.100 -0.082 0.000 1.235 625 T CB -0.489 68.335 68.868 -0.073 0.000 1.088 625 T HN 0.394 nan 8.240 nan 0.000 0.556 626 N N 0.664 119.369 118.700 0.008 0.000 2.818 626 N HA -0.167 4.571 4.740 -0.003 0.000 0.250 626 N C 0.213 175.718 175.510 -0.009 0.000 1.108 626 N CA 0.388 53.442 53.050 0.007 0.000 0.745 626 N CB -1.533 36.947 38.487 -0.011 0.000 1.104 626 N HN 0.606 nan 8.380 nan 0.000 0.557 627 F N 0.308 120.140 119.950 -0.196 0.000 2.219 627 F HA 0.245 4.770 4.527 -0.003 0.000 0.294 627 F C 0.658 176.176 175.800 -0.471 0.000 1.086 627 F CA 0.699 58.480 58.000 -0.365 0.000 1.330 627 F CB 0.222 38.903 39.000 -0.532 0.000 1.047 627 F HN -0.045 nan 8.300 nan 0.000 0.495 628 F N 0.529 120.516 119.950 0.060 0.000 2.399 628 F HA 0.312 4.837 4.527 -0.003 0.000 0.328 628 F C 1.527 177.288 175.800 -0.064 0.000 1.084 628 F CA -0.751 57.231 58.000 -0.030 0.000 1.053 628 F CB 0.809 39.821 39.000 0.021 0.000 1.209 628 F HN -0.255 nan 8.300 nan 0.000 0.502 629 E N 0.914 121.182 120.200 0.114 0.000 2.153 629 E HA -0.102 4.247 4.350 -0.003 0.000 0.194 629 E C 0.187 176.801 176.600 0.023 0.000 0.988 629 E CA 1.115 57.529 56.400 0.023 0.000 0.811 629 E CB 0.265 29.957 29.700 -0.014 0.000 0.746 629 E HN 0.624 nan 8.360 nan 0.000 0.466 630 R N -1.744 118.781 120.500 0.041 0.000 2.756 630 R HA 0.250 4.588 4.340 -0.003 0.000 0.273 630 R C -0.877 175.405 176.300 -0.031 0.000 1.030 630 R CA -0.791 55.303 56.100 -0.011 0.000 0.887 630 R CB -0.348 29.920 30.300 -0.055 0.000 1.274 630 R HN -0.142 nan 8.270 nan 0.000 0.461 631 N N 2.405 121.049 118.700 -0.092 0.000 2.160 631 N HA -0.062 4.676 4.740 -0.003 0.000 0.283 631 N C -1.394 174.009 175.510 -0.178 0.000 1.363 631 N CA -0.773 52.192 53.050 -0.141 0.000 0.848 631 N CB 0.611 38.955 38.487 -0.237 0.000 1.127 631 N HN 0.438 nan 8.380 nan 0.000 0.493 632 P HA -0.081 nan 4.420 nan 0.000 0.229 632 P C 0.704 177.851 177.300 -0.254 0.000 1.160 632 P CA 0.805 63.606 63.100 -0.498 0.000 0.777 632 P CB 0.134 31.099 31.700 -1.225 0.000 0.814 633 V N -3.290 116.573 119.914 -0.085 0.000 3.099 633 V HA 0.177 4.295 4.120 -0.003 0.000 0.356 633 V C 1.885 178.137 176.094 0.263 0.000 1.364 633 V CA -0.237 62.116 62.300 0.090 0.000 1.229 633 V CB -0.855 31.074 31.823 0.176 0.000 1.227 633 V HN -0.128 nan 8.190 nan 0.000 0.493 634 L N 0.836 122.105 121.223 0.076 0.000 2.083 634 L HA 0.043 4.381 4.340 -0.003 0.000 0.209 634 L C 2.016 179.005 176.870 0.197 0.000 1.083 634 L CA 1.852 56.731 54.840 0.065 0.000 0.752 634 L CB -0.323 41.676 42.059 -0.100 0.000 0.899 634 L HN 0.252 nan 8.230 nan 0.000 0.433 635 K N -0.249 120.215 120.400 0.108 0.000 2.446 635 K HA 0.249 4.567 4.320 -0.003 0.000 0.203 635 K C -0.001 176.647 176.600 0.080 0.000 1.027 635 K CA 0.033 56.376 56.287 0.093 0.000 1.166 635 K CB -0.367 32.159 32.500 0.042 0.000 0.869 635 K HN 0.220 nan 8.250 nan 0.000 0.504 636 T N 2.443 117.057 114.554 0.100 0.000 2.771 636 T HA 0.364 4.713 4.350 -0.003 0.000 0.291 636 T C 0.514 175.214 174.700 0.000 0.000 0.954 636 T CA -0.470 61.650 62.100 0.033 0.000 1.045 636 T CB 1.099 69.982 68.868 0.025 0.000 0.917 636 T HN 0.021 nan 8.240 nan 0.000 0.484 637 L N 2.272 123.485 121.223 -0.018 0.000 2.395 637 L HA 0.331 4.670 4.340 -0.003 0.000 0.269 637 L C 1.087 177.922 176.870 -0.058 0.000 1.133 637 L CA -0.748 54.069 54.840 -0.038 0.000 0.812 637 L CB 0.698 42.748 42.059 -0.016 0.000 1.125 637 L HN 0.575 nan 8.230 nan 0.000 0.452 638 S N 2.457 118.110 115.700 -0.078 0.000 2.563 638 S HA 0.114 4.582 4.470 -0.003 0.000 0.284 638 S C -2.003 172.593 174.600 -0.006 0.000 1.331 638 S CA -0.862 57.303 58.200 -0.058 0.000 1.047 638 S CB 0.223 63.383 63.200 -0.067 0.000 0.859 638 S HN 0.424 nan 8.310 nan 0.000 0.514 639 P HA 0.089 nan 4.420 nan 0.000 0.268 639 P C -0.155 177.183 177.300 0.063 0.000 1.208 639 P CA -0.251 62.900 63.100 0.084 0.000 0.777 639 P CB 0.440 32.262 31.700 0.203 0.000 0.875 640 R N 1.412 121.942 120.500 0.050 0.000 2.707 640 R HA 0.206 4.544 4.340 -0.003 0.000 0.270 640 R C -0.123 176.202 176.300 0.042 0.000 1.083 640 R CA -0.201 55.920 56.100 0.035 0.000 1.182 640 R CB -0.282 30.032 30.300 0.023 0.000 1.084 640 R HN 0.499 nan 8.270 nan 0.000 0.528 641 D N 0.347 120.767 120.400 0.033 0.000 2.373 641 D HA 0.258 4.896 4.640 -0.003 0.000 0.227 641 D C -0.945 175.376 176.300 0.034 0.000 1.091 641 D CA -0.323 53.698 54.000 0.035 0.000 0.840 641 D CB 0.937 41.758 40.800 0.035 0.000 1.060 641 D HN 0.022 nan 8.370 nan 0.000 0.502 642 V N 2.781 122.718 119.914 0.037 0.000 2.532 642 V HA 0.695 4.813 4.120 -0.003 0.000 0.295 642 V C 0.622 176.756 176.094 0.066 0.000 1.041 642 V CA -1.079 61.243 62.300 0.037 0.000 0.926 642 V CB 1.442 33.278 31.823 0.021 0.000 0.992 642 V HN 0.746 nan 8.190 nan 0.000 0.457 643 A N 4.291 127.148 122.820 0.062 0.000 2.371 643 A HA 0.295 4.613 4.320 -0.003 0.000 0.257 643 A C -0.023 177.641 177.584 0.133 0.000 1.089 643 A CA -0.462 51.639 52.037 0.106 0.000 0.794 643 A CB 0.281 19.328 19.000 0.079 0.000 1.029 643 A HN 0.997 nan 8.150 nan 0.000 0.488 644 W N 4.482 125.782 121.300 0.000 0.000 2.443 644 W HA 0.041 4.701 4.660 0.001 0.000 0.335 644 W C -1.388 175.129 176.519 -0.005 0.000 1.382 644 W CA -0.902 56.442 57.345 -0.002 0.000 1.305 644 W CB 0.449 29.907 29.460 -0.004 0.000 1.283 644 W HN 0.701 nan 8.180 nan 0.000 0.567 645 P HA -0.098 nan 4.420 nan 0.000 0.216 645 P C 0.638 177.700 177.300 -0.398 0.000 1.154 645 P CA 2.134 64.888 63.100 -0.577 0.000 0.865 645 P CB 0.020 31.274 31.700 -0.742 0.000 0.789 646 G N -1.483 106.982 108.800 -0.558 0.000 2.661 646 G HA2 -0.137 3.822 3.960 -0.003 0.000 0.685 646 G HA3 -0.137 3.822 3.960 -0.003 0.000 0.685 646 G C -0.165 174.748 174.900 0.021 0.000 1.298 646 G CA -0.609 44.516 45.100 0.042 0.000 0.855 646 G HN 0.393 nan 8.290 nan 0.000 0.560 647 C N 0.000 119.371 119.300 0.119 0.000 2.653 647 C HA 0.000 4.458 4.460 -0.003 0.000 0.325 647 C CA 0.000 59.065 59.018 0.078 0.000 1.963 647 C CB 0.000 27.791 27.740 0.085 0.000 2.134 647 C HN 0.000 nan 8.230 nan 0.000 0.568