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 1q3s_1_C DATA FIRST_RESID 10 DATA SEQUENCE VILPEGTQRY VGRDAQRLNI LAARIIAETV RTTLGPKGMD KMLVDSLGDI DATA SEQUENCE VVTNDCATIL DKIDLQHPAA KMMVEVAKTQ DKEAGDGTTT AVVIAGELLR DATA SEQUENCE KAEELLDQNI HPSIIIKGYA LAAEKAQEIL DEIAIRVDPD DEETLLKIAA DATA SEQUENCE TSITGKNAES HKELLAKLAV EAVKQVAEKK DGKYVVDLDN IKFEKKAGEG DATA SEQUENCE VEESELVRGV VIDKEVVHPR MPKRVENAKI ALINEALEVK KTETDAKINI DATA SEQUENCE TSPDQLMSFL EQEEKMLKDM VDHIAQTGAN VVFVQKGIDD LAQHYLAKYG DATA SEQUENCE IMAVRRVKKS DMEKLAKATG AKIVTNVKDL TPEDLGYAEV VEERKLAGEN DATA SEQUENCE MIFVEGCKNP KAVTILIRGG TEHVIDEVER ALEDAVKVVK DVMEDGAVLP DATA SEQUENCE AGGAPEIELA IRLDEYAKQV GGKEALAIEN FADALKIIPK TLAENAGLDT DATA SEQUENCE VEMLVKVISE HKNRGLGIGI DVFEGKPADM LEKGIIEPLR VKKQAIKSAS DATA SEQUENCE EAAIMILRID DVIAAKA 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 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.091 176.094 -0.005 0.000 1.182 10 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 10 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 11 I N 0.759 121.326 120.570 -0.006 0.000 3.708 11 I HA 0.537 4.707 4.170 -0.000 0.000 0.302 11 I C -0.054 176.059 176.117 -0.007 0.000 1.255 11 I CA 0.931 62.228 61.300 -0.006 0.000 1.362 11 I CB 0.845 38.841 38.000 -0.008 0.000 1.100 11 I HN 0.531 nan 8.210 nan 0.000 0.434 12 L N 1.072 122.291 121.223 -0.008 0.000 2.700 12 L HA 0.389 4.729 4.340 -0.000 0.000 0.255 12 L C -2.631 174.235 176.870 -0.007 0.000 0.933 12 L CA -1.088 53.748 54.840 -0.008 0.000 0.920 12 L CB 1.752 43.804 42.059 -0.011 0.000 1.472 12 L HN -0.161 nan 8.230 nan 0.000 0.426 13 P HA 0.038 nan 4.420 nan 0.000 0.258 13 P C -1.147 176.150 177.300 -0.005 0.000 1.172 13 P CA 0.154 63.252 63.100 -0.004 0.000 0.762 13 P CB 0.332 32.031 31.700 -0.002 0.000 0.764 14 E N 2.762 122.959 120.200 -0.005 0.000 2.404 14 E HA 0.324 4.673 4.350 -0.000 0.000 0.261 14 E C 1.230 177.829 176.600 -0.002 0.000 1.074 14 E CA 0.081 56.478 56.400 -0.005 0.000 0.917 14 E CB -0.209 29.488 29.700 -0.004 0.000 0.965 14 E HN 0.625 nan 8.360 nan 0.000 0.433 15 G N 1.963 110.762 108.800 -0.002 0.000 2.205 15 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.261 15 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.261 15 G C 0.238 175.143 174.900 0.009 0.000 0.980 15 G CA 0.400 45.502 45.100 0.005 0.000 0.632 15 G HN 0.745 nan 8.290 nan 0.000 0.533 16 T N 1.992 116.548 114.554 0.003 0.000 2.743 16 T HA 0.555 4.904 4.350 -0.000 0.000 0.293 16 T C 0.277 174.974 174.700 -0.004 0.000 0.945 16 T CA -0.056 62.048 62.100 0.007 0.000 1.030 16 T CB 1.310 70.178 68.868 0.001 0.000 0.912 16 T HN 0.456 nan 8.240 nan 0.000 0.483 17 Q N 2.205 122.015 119.800 0.018 0.000 2.193 17 Q HA 0.748 5.088 4.340 -0.000 0.000 0.246 17 Q C -0.066 175.912 176.000 -0.036 0.000 0.959 17 Q CA -0.867 54.921 55.803 -0.026 0.000 0.904 17 Q CB 1.450 30.231 28.738 0.072 0.000 1.238 17 Q HN 0.502 nan 8.270 nan 0.000 0.469 18 R N 0.226 120.580 120.500 -0.242 0.000 2.668 18 R HA 0.571 4.911 4.340 -0.000 0.000 0.272 18 R C -1.689 174.324 176.300 -0.477 0.000 1.019 18 R CA -0.539 55.467 56.100 -0.156 0.000 0.894 18 R CB 1.245 31.488 30.300 -0.094 0.000 1.228 18 R HN 0.684 nan 8.270 nan 0.000 0.460 19 Y N 1.214 121.518 120.300 0.007 0.000 2.524 19 Y HA 0.611 5.160 4.550 -0.000 0.000 0.347 19 Y C -0.581 175.323 175.900 0.006 0.000 1.005 19 Y CA -0.717 57.389 58.100 0.011 0.000 1.025 19 Y CB 2.560 41.033 38.460 0.022 0.000 1.275 19 Y HN 0.203 nan 8.280 nan 0.000 0.460 20 V N 0.688 120.676 119.914 0.123 0.000 3.114 20 V HA 0.832 4.952 4.120 -0.000 0.000 0.308 20 V C 0.509 176.638 176.094 0.058 0.000 1.168 20 V CA -0.532 61.810 62.300 0.070 0.000 1.015 20 V CB 1.281 33.121 31.823 0.028 0.000 1.050 20 V HN 1.091 nan 8.190 nan 0.000 0.433 21 G N 3.131 111.950 108.800 0.031 0.000 2.660 21 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.321 21 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.321 21 G C 1.100 176.009 174.900 0.014 0.000 1.246 21 G CA 1.790 46.896 45.100 0.010 0.000 1.000 21 G HN 1.287 nan 8.290 nan 0.000 0.550 22 R N 0.522 121.029 120.500 0.011 0.000 2.083 22 R HA -0.024 4.316 4.340 -0.000 0.000 0.237 22 R C 1.994 178.314 176.300 0.033 0.000 1.137 22 R CA 2.513 58.619 56.100 0.011 0.000 0.951 22 R CB -0.877 29.428 30.300 0.008 0.000 0.851 22 R HN 0.502 nan 8.270 nan 0.000 0.434 23 D N 1.307 121.746 120.400 0.065 0.000 2.120 23 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 23 D C 2.083 178.449 176.300 0.110 0.000 0.994 23 D CA 2.378 56.451 54.000 0.122 0.000 0.838 23 D CB -0.544 40.377 40.800 0.202 0.000 0.976 23 D HN 0.426 nan 8.370 nan 0.000 0.447 24 A N 0.689 123.592 122.820 0.140 0.000 1.859 24 A HA -0.335 3.985 4.320 -0.000 0.000 0.218 24 A C 2.098 179.700 177.584 0.030 0.000 1.209 24 A CA 2.375 54.470 52.037 0.097 0.000 0.639 24 A CB -0.963 18.099 19.000 0.104 0.000 0.835 24 A HN 0.311 nan 8.150 nan 0.000 0.450 25 Q N -1.343 118.471 119.800 0.023 0.000 2.061 25 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 25 Q C 2.366 178.361 176.000 -0.007 0.000 0.984 25 Q CA 1.831 57.636 55.803 0.005 0.000 0.846 25 Q CB -0.275 28.459 28.738 -0.007 0.000 0.902 25 Q HN 0.692 nan 8.270 nan 0.000 0.421 26 R N 0.956 121.451 120.500 -0.008 0.000 2.091 26 R HA -0.121 4.218 4.340 -0.000 0.000 0.238 26 R C 2.200 178.470 176.300 -0.051 0.000 1.136 26 R CA 1.118 57.205 56.100 -0.022 0.000 0.959 26 R CB -0.213 30.081 30.300 -0.010 0.000 0.856 26 R HN 0.202 nan 8.270 nan 0.000 0.437 27 L N -0.092 121.089 121.223 -0.069 0.000 2.023 27 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 27 L C 2.079 178.856 176.870 -0.155 0.000 1.073 27 L CA 1.916 56.669 54.840 -0.145 0.000 0.745 27 L CB -0.819 41.116 42.059 -0.207 0.000 0.900 27 L HN 0.360 nan 8.230 nan 0.000 0.435 28 N N 0.462 119.141 118.700 -0.034 0.000 2.061 28 N HA -0.211 4.529 4.740 -0.000 0.000 0.193 28 N C 1.940 177.436 175.510 -0.024 0.000 1.030 28 N CA 1.250 54.328 53.050 0.046 0.000 0.856 28 N CB -0.135 38.391 38.487 0.064 0.000 1.023 28 N HN 0.277 nan 8.380 nan 0.000 0.424 29 I N 0.467 121.017 120.570 -0.032 0.000 2.286 29 I HA -0.221 3.948 4.170 -0.000 0.000 0.248 29 I C 2.250 178.329 176.117 -0.063 0.000 1.115 29 I CA 0.622 61.903 61.300 -0.032 0.000 1.392 29 I CB -0.156 37.832 38.000 -0.020 0.000 1.065 29 I HN 0.178 nan 8.210 nan 0.000 0.418 30 L N 1.268 122.432 121.223 -0.098 0.000 1.994 30 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 30 L C 2.655 179.431 176.870 -0.155 0.000 1.071 30 L CA 2.171 56.941 54.840 -0.118 0.000 0.745 30 L CB -0.858 41.120 42.059 -0.135 0.000 0.892 30 L HN 0.191 nan 8.230 nan 0.000 0.431 31 A N -0.321 122.342 122.820 -0.261 0.000 1.859 31 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 31 A C 2.475 179.988 177.584 -0.118 0.000 1.198 31 A CA 2.629 54.485 52.037 -0.302 0.000 0.629 31 A CB -1.477 17.171 19.000 -0.588 0.000 0.830 31 A HN 0.610 nan 8.150 nan 0.000 0.446 32 A N -0.476 122.305 122.820 -0.065 0.000 1.892 32 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 32 A C 2.253 179.813 177.584 -0.040 0.000 1.188 32 A CA 1.845 53.865 52.037 -0.028 0.000 0.631 32 A CB -0.578 18.415 19.000 -0.012 0.000 0.822 32 A HN 0.584 nan 8.150 nan 0.000 0.447 33 R N -0.715 119.755 120.500 -0.050 0.000 2.091 33 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 33 R C 2.055 178.326 176.300 -0.048 0.000 1.136 33 R CA 1.598 57.670 56.100 -0.047 0.000 0.959 33 R CB -0.556 29.716 30.300 -0.047 0.000 0.856 33 R HN 0.611 nan 8.270 nan 0.000 0.437 34 I N 0.503 121.038 120.570 -0.059 0.000 2.113 34 I HA -0.303 3.867 4.170 -0.000 0.000 0.238 34 I C 2.401 178.493 176.117 -0.042 0.000 1.070 34 I CA 1.010 62.278 61.300 -0.054 0.000 1.332 34 I CB -0.300 37.659 38.000 -0.069 0.000 1.044 34 I HN 0.137 nan 8.210 nan 0.000 0.402 35 I N 1.115 121.662 120.570 -0.039 0.000 2.248 35 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 35 I C 2.689 178.789 176.117 -0.028 0.000 1.107 35 I CA 1.919 63.203 61.300 -0.027 0.000 1.373 35 I CB -1.062 36.928 38.000 -0.017 0.000 1.055 35 I HN 0.220 nan 8.210 nan 0.000 0.418 36 A N 0.016 122.816 122.820 -0.032 0.000 1.898 36 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 36 A C 2.154 179.717 177.584 -0.035 0.000 1.181 36 A CA 1.389 53.405 52.037 -0.035 0.000 0.620 36 A CB -0.549 18.428 19.000 -0.040 0.000 0.819 36 A HN 0.512 nan 8.150 nan 0.000 0.442 37 E N -0.629 119.550 120.200 -0.035 0.000 2.204 37 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 37 E C 1.853 178.434 176.600 -0.030 0.000 0.989 37 E CA 1.296 57.676 56.400 -0.034 0.000 0.824 37 E CB -0.267 29.413 29.700 -0.034 0.000 0.756 37 E HN 0.611 nan 8.360 nan 0.000 0.477 38 T N 0.722 115.258 114.554 -0.029 0.000 2.788 38 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 38 T C 2.133 176.819 174.700 -0.025 0.000 1.044 38 T CA 1.499 63.584 62.100 -0.025 0.000 1.139 38 T CB -0.094 68.761 68.868 -0.023 0.000 0.867 38 T HN 0.205 nan 8.240 nan 0.000 0.454 39 V N 1.197 121.095 119.914 -0.027 0.000 3.354 39 V HA 0.167 4.287 4.120 -0.000 0.000 0.258 39 V C 2.235 178.311 176.094 -0.030 0.000 1.159 39 V CA 0.621 62.905 62.300 -0.027 0.000 1.125 39 V CB -0.749 31.058 31.823 -0.026 0.000 0.774 39 V HN 0.423 nan 8.190 nan 0.000 0.464 40 R N 2.289 122.769 120.500 -0.032 0.000 2.293 40 R HA -0.104 4.236 4.340 -0.000 0.000 0.219 40 R C 1.945 178.224 176.300 -0.035 0.000 1.091 40 R CA 1.719 57.798 56.100 -0.035 0.000 1.004 40 R CB -1.368 28.910 30.300 -0.038 0.000 0.865 40 R HN 0.599 nan 8.270 nan 0.000 0.469 41 T N -1.668 112.867 114.554 -0.032 0.000 3.118 41 T HA -0.037 4.312 4.350 -0.000 0.000 0.260 41 T C 1.615 176.296 174.700 -0.032 0.000 1.139 41 T CA 0.993 63.074 62.100 -0.031 0.000 1.085 41 T CB -0.060 68.792 68.868 -0.027 0.000 0.934 41 T HN 0.490 nan 8.240 nan 0.000 0.518 42 T N -0.825 113.710 114.554 -0.031 0.000 3.040 42 T HA 0.346 4.695 4.350 -0.000 0.000 0.250 42 T C 0.481 175.160 174.700 -0.033 0.000 1.058 42 T CA -0.552 61.530 62.100 -0.030 0.000 0.988 42 T CB -0.383 68.469 68.868 -0.025 0.000 0.993 42 T HN 0.286 nan 8.240 nan 0.000 0.519 43 L N 2.921 124.121 121.223 -0.037 0.000 2.499 43 L HA 0.489 4.829 4.340 -0.000 0.000 0.273 43 L C 0.942 177.783 176.870 -0.048 0.000 1.195 43 L CA 1.830 56.646 54.840 -0.039 0.000 0.882 43 L CB -0.605 41.430 42.059 -0.041 0.000 1.133 43 L HN 0.729 nan 8.230 nan 0.000 0.483 44 G N 4.074 112.849 108.800 -0.042 0.000 2.760 44 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.246 44 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.246 44 G C -2.052 172.812 174.900 -0.061 0.000 1.359 44 G CA -0.384 44.684 45.100 -0.053 0.000 0.861 44 G HN 0.514 nan 8.290 nan 0.000 0.541 45 P HA -0.006 nan 4.420 nan 0.000 0.218 45 P C 1.681 178.894 177.300 -0.145 0.000 1.149 45 P CA 1.594 64.632 63.100 -0.102 0.000 0.817 45 P CB 0.098 31.650 31.700 -0.247 0.000 0.785 46 K N -0.876 119.410 120.400 -0.190 0.000 2.393 46 K HA 0.174 4.494 4.320 -0.000 0.000 0.193 46 K C 1.254 177.804 176.600 -0.085 0.000 1.026 46 K CA 0.120 56.318 56.287 -0.148 0.000 1.064 46 K CB -0.692 31.704 32.500 -0.174 0.000 0.833 46 K HN 0.089 nan 8.250 nan 0.000 0.521 47 G N 1.943 110.700 108.800 -0.071 0.000 2.464 47 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.231 47 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.231 47 G C 0.242 175.121 174.900 -0.035 0.000 1.267 47 G CA -0.111 44.960 45.100 -0.048 0.000 0.863 47 G HN -0.035 nan 8.290 nan 0.000 0.559 48 M N 0.895 120.477 119.600 -0.029 0.000 2.368 48 M HA 0.310 4.790 4.480 -0.000 0.000 0.311 48 M C 0.045 176.336 176.300 -0.015 0.000 1.168 48 M CA -0.509 54.779 55.300 -0.020 0.000 1.044 48 M CB 1.353 33.941 32.600 -0.020 0.000 1.506 48 M HN 0.438 nan 8.290 nan 0.000 0.475 49 D N 1.060 121.455 120.400 -0.008 0.000 2.332 49 D HA 0.466 5.106 4.640 -0.000 0.000 0.252 49 D C -0.374 175.923 176.300 -0.005 0.000 1.050 49 D CA -0.328 53.669 54.000 -0.005 0.000 0.970 49 D CB 1.453 42.255 40.800 0.004 0.000 1.141 49 D HN 0.257 nan 8.370 nan 0.000 0.485 50 K N 0.435 120.831 120.400 -0.006 0.000 2.328 50 K HA 0.503 4.823 4.320 -0.000 0.000 0.246 50 K C -0.626 175.974 176.600 -0.000 0.000 0.955 50 K CA -0.811 55.473 56.287 -0.005 0.000 0.817 50 K CB 2.680 35.173 32.500 -0.011 0.000 1.208 50 K HN 0.302 nan 8.250 nan 0.000 0.432 51 M N 3.965 123.567 119.600 0.004 0.000 2.072 51 M HA 0.319 4.799 4.480 -0.000 0.000 0.331 51 M C -1.638 174.665 176.300 0.004 0.000 1.004 51 M CA -0.619 54.687 55.300 0.011 0.000 0.952 51 M CB 0.455 33.067 32.600 0.020 0.000 1.511 51 M HN 0.436 nan 8.290 nan 0.000 0.422 52 L N 6.172 127.394 121.223 -0.002 0.000 2.265 52 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 52 L C -0.883 175.986 176.870 -0.001 0.000 1.033 52 L CA -0.951 53.885 54.840 -0.006 0.000 0.814 52 L CB 1.227 43.277 42.059 -0.016 0.000 1.203 52 L HN 0.411 nan 8.230 nan 0.000 0.423 53 V N 3.074 122.989 119.914 0.003 0.000 2.293 53 V HA 0.129 4.249 4.120 -0.000 0.000 0.275 53 V C 0.239 176.335 176.094 0.003 0.000 1.021 53 V CA -0.783 61.522 62.300 0.007 0.000 0.815 53 V CB 1.147 32.977 31.823 0.010 0.000 1.025 53 V HN 0.778 nan 8.190 nan 0.000 0.448 54 D N 3.675 124.075 120.400 0.001 0.000 2.384 54 D HA 0.018 4.658 4.640 -0.000 0.000 0.244 54 D C 1.435 177.737 176.300 0.002 0.000 1.251 54 D CA 0.335 54.334 54.000 -0.001 0.000 0.961 54 D CB 1.476 42.274 40.800 -0.004 0.000 1.116 54 D HN 0.454 nan 8.370 nan 0.000 0.484 55 S N 0.401 116.101 115.700 0.001 0.000 2.419 55 S HA -0.177 4.293 4.470 -0.000 0.000 0.235 55 S C 1.742 176.344 174.600 0.003 0.000 1.019 55 S CA 0.656 58.857 58.200 0.002 0.000 0.982 55 S CB -0.538 62.663 63.200 0.002 0.000 0.789 55 S HN 0.558 nan 8.310 nan 0.000 0.490 56 L N 1.411 122.636 121.223 0.003 0.000 2.851 56 L HA 0.396 4.736 4.340 -0.000 0.000 0.237 56 L C 1.866 178.740 176.870 0.008 0.000 1.257 56 L CA 0.102 54.945 54.840 0.005 0.000 1.061 56 L CB -0.825 41.236 42.059 0.004 0.000 1.372 56 L HN 0.540 nan 8.230 nan 0.000 0.493 57 G N -0.178 108.627 108.800 0.009 0.000 2.451 57 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.253 57 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.253 57 G C 0.466 175.377 174.900 0.018 0.000 1.033 57 G CA 0.514 45.621 45.100 0.013 0.000 0.633 57 G HN 0.551 nan 8.290 nan 0.000 0.537 58 D N 1.044 121.453 120.400 0.015 0.000 2.658 58 D HA 0.140 4.780 4.640 -0.000 0.000 0.230 58 D C 0.064 176.374 176.300 0.017 0.000 1.118 58 D CA 0.527 54.537 54.000 0.016 0.000 0.848 58 D CB 0.068 40.870 40.800 0.004 0.000 1.160 58 D HN 0.261 nan 8.370 nan 0.000 0.497 59 I N 3.896 124.488 120.570 0.037 0.000 2.354 59 I HA 0.177 4.347 4.170 -0.000 0.000 0.292 59 I C -0.038 176.062 176.117 -0.027 0.000 0.989 59 I CA -0.778 60.550 61.300 0.045 0.000 1.188 59 I CB 1.977 40.055 38.000 0.129 0.000 1.342 59 I HN 0.050 nan 8.210 nan 0.000 0.457 60 V N 6.967 126.850 119.914 -0.051 0.000 2.376 60 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 60 V C -0.303 175.746 176.094 -0.074 0.000 1.015 60 V CA -0.707 61.521 62.300 -0.119 0.000 0.834 60 V CB 1.780 33.552 31.823 -0.086 0.000 1.001 60 V HN 0.420 nan 8.190 nan 0.000 0.428 61 V N 4.517 124.373 119.914 -0.097 0.000 2.328 61 V HA 0.671 4.791 4.120 -0.000 0.000 0.278 61 V C 0.195 176.269 176.094 -0.034 0.000 1.021 61 V CA 0.052 62.346 62.300 -0.011 0.000 0.838 61 V CB 1.444 33.324 31.823 0.096 0.000 0.999 61 V HN 0.945 nan 8.190 nan 0.000 0.447 62 T N 2.893 117.431 114.554 -0.026 0.000 2.841 62 T HA 0.383 4.733 4.350 -0.000 0.000 0.296 62 T C 0.352 175.040 174.700 -0.020 0.000 1.166 62 T CA -0.344 61.739 62.100 -0.030 0.000 1.007 62 T CB 2.126 70.966 68.868 -0.045 0.000 1.253 62 T HN 0.615 nan 8.240 nan 0.000 0.511 63 N N 0.164 118.852 118.700 -0.021 0.000 2.273 63 N HA 0.175 4.914 4.740 -0.000 0.000 0.192 63 N C -0.405 175.092 175.510 -0.022 0.000 1.132 63 N CA -0.111 52.928 53.050 -0.018 0.000 0.887 63 N CB 0.432 38.911 38.487 -0.013 0.000 1.048 63 N HN 0.602 nan 8.380 nan 0.000 0.490 64 D N -0.099 120.285 120.400 -0.027 0.000 2.401 64 D HA -0.029 4.611 4.640 -0.000 0.000 0.254 64 D C 1.338 177.622 176.300 -0.027 0.000 1.192 64 D CA -0.058 53.924 54.000 -0.029 0.000 0.885 64 D CB 0.757 41.535 40.800 -0.037 0.000 1.147 64 D HN 0.275 nan 8.370 nan 0.000 0.478 65 C N 4.162 123.448 119.300 -0.025 0.000 2.432 65 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 65 C C 2.582 177.559 174.990 -0.022 0.000 1.249 65 C CA 1.274 60.278 59.018 -0.023 0.000 1.725 65 C CB -1.367 26.360 27.740 -0.023 0.000 2.028 65 C HN 0.787 nan 8.230 nan 0.000 0.477 66 A N 0.049 122.856 122.820 -0.022 0.000 1.908 66 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 66 A C 2.323 179.894 177.584 -0.022 0.000 1.181 66 A CA 2.751 54.776 52.037 -0.020 0.000 0.627 66 A CB -1.386 17.602 19.000 -0.020 0.000 0.818 66 A HN 0.663 nan 8.150 nan 0.000 0.445 67 T N 0.378 114.915 114.554 -0.027 0.000 2.737 67 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 67 T C 1.829 176.513 174.700 -0.027 0.000 1.038 67 T CA 1.482 63.564 62.100 -0.030 0.000 1.144 67 T CB -0.437 68.408 68.868 -0.039 0.000 0.866 67 T HN 0.432 nan 8.240 nan 0.000 0.434 68 I N 0.962 121.517 120.570 -0.026 0.000 2.127 68 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 68 I C 2.353 178.459 176.117 -0.018 0.000 1.075 68 I CA 1.419 62.706 61.300 -0.022 0.000 1.334 68 I CB -0.527 37.461 38.000 -0.021 0.000 1.040 68 I HN 0.192 nan 8.210 nan 0.000 0.405 69 L N 0.250 121.462 121.223 -0.017 0.000 2.131 69 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 69 L C 2.216 179.079 176.870 -0.012 0.000 1.092 69 L CA 1.553 56.385 54.840 -0.013 0.000 0.759 69 L CB -0.666 41.385 42.059 -0.013 0.000 0.903 69 L HN 0.331 nan 8.230 nan 0.000 0.435 70 D N -0.081 120.311 120.400 -0.014 0.000 2.103 70 D HA -0.164 4.475 4.640 -0.000 0.000 0.199 70 D C 2.224 178.516 176.300 -0.013 0.000 0.978 70 D CA 1.099 55.091 54.000 -0.013 0.000 0.829 70 D CB 0.246 41.036 40.800 -0.016 0.000 0.981 70 D HN -0.086 nan 8.370 nan 0.000 0.464 71 K N 0.125 120.515 120.400 -0.017 0.000 2.057 71 K HA 0.033 4.352 4.320 -0.000 0.000 0.206 71 K C 0.704 177.297 176.600 -0.012 0.000 1.050 71 K CA 0.207 56.484 56.287 -0.016 0.000 0.935 71 K CB -0.328 32.159 32.500 -0.022 0.000 0.715 71 K HN 0.323 nan 8.250 nan 0.000 0.439 72 I N 2.630 123.193 120.570 -0.011 0.000 2.710 72 I HA -0.119 4.051 4.170 -0.000 0.000 0.286 72 I C 0.487 176.601 176.117 -0.005 0.000 1.181 72 I CA -0.036 61.259 61.300 -0.008 0.000 1.430 72 I CB 0.235 38.230 38.000 -0.008 0.000 1.367 72 I HN -0.004 nan 8.210 nan 0.000 0.577 73 D N 8.033 128.432 120.400 -0.003 0.000 2.508 73 D HA 0.208 4.848 4.640 -0.000 0.000 0.224 73 D C -0.126 176.176 176.300 0.004 0.000 1.171 73 D CA -0.172 53.828 54.000 -0.000 0.000 1.006 73 D CB 0.012 40.812 40.800 0.000 0.000 1.073 73 D HN 0.259 nan 8.370 nan 0.000 0.513 74 L N 2.488 123.714 121.223 0.005 0.000 2.456 74 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 74 L C 1.588 178.467 176.870 0.016 0.000 1.189 74 L CA -0.206 54.642 54.840 0.014 0.000 0.846 74 L CB 0.976 43.044 42.059 0.015 0.000 1.111 74 L HN 0.315 nan 8.230 nan 0.000 0.475 75 Q N 0.405 120.223 119.800 0.030 0.000 2.511 75 Q HA 0.045 4.385 4.340 -0.000 0.000 0.236 75 Q C 0.283 176.296 176.000 0.021 0.000 0.893 75 Q CA 0.244 56.061 55.803 0.022 0.000 0.947 75 Q CB 0.210 28.964 28.738 0.027 0.000 1.110 75 Q HN 0.603 nan 8.270 nan 0.000 0.591 76 H N 3.306 122.359 119.070 -0.028 0.000 2.886 76 H HA 0.012 4.568 4.556 -0.000 0.000 0.329 76 H C -1.648 173.659 175.328 -0.034 0.000 1.044 76 H CA -0.922 55.102 56.048 -0.040 0.000 1.456 76 H CB 1.212 30.942 29.762 -0.053 0.000 1.464 76 H HN -0.124 nan 8.280 nan 0.000 0.573 77 P HA -0.246 nan 4.420 nan 0.000 0.213 77 P C 1.063 178.330 177.300 -0.054 0.000 1.170 77 P CA 2.402 65.368 63.100 -0.224 0.000 0.902 77 P CB -0.051 31.473 31.700 -0.293 0.000 0.789 78 A N -0.392 122.458 122.820 0.050 0.000 2.032 78 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 78 A C 2.271 179.928 177.584 0.121 0.000 1.165 78 A CA 2.202 54.326 52.037 0.146 0.000 0.645 78 A CB -1.592 17.545 19.000 0.228 0.000 0.807 78 A HN 0.236 nan 8.150 nan 0.000 0.453 79 A N -0.634 122.284 122.820 0.165 0.000 2.016 79 A HA 0.004 4.323 4.320 -0.000 0.000 0.217 79 A C 2.026 179.634 177.584 0.039 0.000 1.162 79 A CA 1.410 53.493 52.037 0.077 0.000 0.662 79 A CB -0.240 18.808 19.000 0.079 0.000 0.812 79 A HN 0.528 nan 8.150 nan 0.000 0.450 80 K N -0.810 119.608 120.400 0.032 0.000 2.155 80 K HA 0.072 4.392 4.320 -0.000 0.000 0.203 80 K C 1.821 178.425 176.600 0.006 0.000 1.052 80 K CA 1.269 57.561 56.287 0.009 0.000 0.948 80 K CB -0.200 32.296 32.500 -0.005 0.000 0.728 80 K HN 0.452 nan 8.250 nan 0.000 0.448 81 M N -0.015 119.591 119.600 0.010 0.000 2.296 81 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 81 M C 1.725 178.029 176.300 0.007 0.000 1.064 81 M CA 1.023 56.328 55.300 0.008 0.000 1.109 81 M CB 0.060 32.667 32.600 0.013 0.000 1.396 81 M HN 0.086 nan 8.290 nan 0.000 0.430 82 M N -0.588 119.017 119.600 0.008 0.000 2.557 82 M HA -0.067 4.413 4.480 -0.000 0.000 0.259 82 M C 1.907 178.204 176.300 -0.004 0.000 1.086 82 M CA 1.010 56.310 55.300 0.000 0.000 1.096 82 M CB -0.816 31.783 32.600 -0.001 0.000 1.424 82 M HN 0.129 nan 8.290 nan 0.000 0.488 83 V N -0.016 119.897 119.914 -0.002 0.000 2.346 83 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 83 V C 2.086 178.177 176.094 -0.005 0.000 1.037 83 V CA 1.341 63.638 62.300 -0.005 0.000 1.029 83 V CB -0.583 31.238 31.823 -0.004 0.000 0.663 83 V HN 0.437 nan 8.190 nan 0.000 0.454 84 E N 0.196 120.395 120.200 -0.002 0.000 2.130 84 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 84 E C 2.239 178.838 176.600 -0.002 0.000 0.998 84 E CA 1.625 58.024 56.400 -0.001 0.000 0.806 84 E CB -0.309 29.391 29.700 0.001 0.000 0.738 84 E HN 0.460 nan 8.360 nan 0.000 0.459 85 V N 1.435 121.347 119.914 -0.004 0.000 2.287 85 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 85 V C 2.363 178.451 176.094 -0.009 0.000 1.053 85 V CA 2.017 64.312 62.300 -0.007 0.000 1.027 85 V CB -0.725 31.091 31.823 -0.012 0.000 0.646 85 V HN 0.347 nan 8.190 nan 0.000 0.447 86 A N -0.517 122.296 122.820 -0.011 0.000 1.969 86 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 86 A C 2.204 179.782 177.584 -0.009 0.000 1.169 86 A CA 1.966 53.996 52.037 -0.012 0.000 0.635 86 A CB -0.418 18.574 19.000 -0.015 0.000 0.810 86 A HN 0.473 nan 8.150 nan 0.000 0.445 87 K N -0.421 119.975 120.400 -0.007 0.000 2.026 87 K HA -0.078 4.241 4.320 -0.000 0.000 0.208 87 K C 1.990 178.588 176.600 -0.002 0.000 1.048 87 K CA 2.216 58.500 56.287 -0.005 0.000 0.929 87 K CB -0.643 31.855 32.500 -0.003 0.000 0.713 87 K HN 0.387 nan 8.250 nan 0.000 0.439 88 T N 0.317 114.870 114.554 -0.001 0.000 2.821 88 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 88 T C 1.662 176.363 174.700 0.001 0.000 1.046 88 T CA 1.400 63.501 62.100 0.001 0.000 1.139 88 T CB -0.248 68.621 68.868 0.003 0.000 0.871 88 T HN 0.270 nan 8.240 nan 0.000 0.454 89 Q N 1.589 121.388 119.800 -0.002 0.000 2.020 89 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 89 Q C 1.896 177.895 176.000 -0.001 0.000 0.982 89 Q CA 2.090 57.891 55.803 -0.003 0.000 0.838 89 Q CB -0.694 28.040 28.738 -0.008 0.000 0.899 89 Q HN 0.495 nan 8.270 nan 0.000 0.423 90 D N -0.666 119.732 120.400 -0.003 0.000 2.182 90 D HA -0.174 4.465 4.640 -0.000 0.000 0.201 90 D C 1.433 177.735 176.300 0.003 0.000 0.986 90 D CA 1.281 55.280 54.000 -0.002 0.000 0.847 90 D CB -0.044 40.753 40.800 -0.005 0.000 0.942 90 D HN 0.283 nan 8.370 nan 0.000 0.467 91 K N -0.557 119.846 120.400 0.004 0.000 2.426 91 K HA -0.002 4.318 4.320 -0.000 0.000 0.193 91 K C 1.058 177.663 176.600 0.009 0.000 1.028 91 K CA 0.495 56.786 56.287 0.007 0.000 1.047 91 K CB 0.394 32.898 32.500 0.006 0.000 0.821 91 K HN 0.019 nan 8.250 nan 0.000 0.513 92 E N -0.983 119.221 120.200 0.007 0.000 2.367 92 E HA 0.123 4.473 4.350 -0.000 0.000 0.204 92 E C 0.922 177.527 176.600 0.008 0.000 0.840 92 E CA 0.676 57.081 56.400 0.008 0.000 1.051 92 E CB 1.157 30.861 29.700 0.007 0.000 1.051 92 E HN 0.284 nan 8.360 nan 0.000 0.509 93 A N -0.439 122.385 122.820 0.007 0.000 2.390 93 A HA 0.495 4.814 4.320 -0.000 0.000 0.225 93 A C 1.618 179.206 177.584 0.007 0.000 1.232 93 A CA 1.030 53.071 52.037 0.006 0.000 0.964 93 A CB 0.500 19.503 19.000 0.004 0.000 1.064 93 A HN 0.212 nan 8.150 nan 0.000 0.525 94 G N -0.338 108.466 108.800 0.006 0.000 2.377 94 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.250 94 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.250 94 G C 0.172 175.073 174.900 0.001 0.000 1.039 94 G CA 0.852 45.956 45.100 0.007 0.000 0.625 94 G HN 0.717 nan 8.290 nan 0.000 0.526 95 D N -1.097 119.303 120.400 0.000 0.000 2.450 95 D HA 0.573 5.213 4.640 -0.000 0.000 0.238 95 D C 0.996 177.293 176.300 -0.005 0.000 1.020 95 D CA 0.774 54.772 54.000 -0.003 0.000 1.010 95 D CB 0.912 41.713 40.800 0.000 0.000 1.342 95 D HN 1.347 nan 8.370 nan 0.000 0.530 96 G N 0.419 109.214 108.800 -0.008 0.000 2.160 96 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.244 96 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.244 96 G C 0.957 175.847 174.900 -0.016 0.000 1.022 96 G CA 1.219 46.312 45.100 -0.012 0.000 0.741 96 G HN 0.664 nan 8.290 nan 0.000 0.508 97 T N -2.790 111.755 114.554 -0.016 0.000 2.746 97 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 97 T C 2.268 176.955 174.700 -0.023 0.000 1.039 97 T CA 2.498 64.588 62.100 -0.018 0.000 1.142 97 T CB -0.555 68.303 68.868 -0.017 0.000 0.866 97 T HN 0.372 nan 8.240 nan 0.000 0.444 98 T N 2.058 116.598 114.554 -0.024 0.000 2.668 98 T HA -0.105 4.245 4.350 -0.000 0.000 0.262 98 T C 2.293 176.972 174.700 -0.034 0.000 1.045 98 T CA 1.860 63.943 62.100 -0.028 0.000 1.152 98 T CB -1.200 67.652 68.868 -0.028 0.000 0.864 98 T HN 0.470 nan 8.240 nan 0.000 0.419 99 T N 2.170 116.705 114.554 -0.033 0.000 2.653 99 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 99 T C 2.282 176.954 174.700 -0.047 0.000 1.037 99 T CA 1.587 63.663 62.100 -0.039 0.000 1.159 99 T CB -0.674 68.175 68.868 -0.032 0.000 0.859 99 T HN 0.478 nan 8.240 nan 0.000 0.449 100 A N 0.483 123.279 122.820 -0.040 0.000 1.898 100 A HA -0.007 4.312 4.320 -0.000 0.000 0.216 100 A C 2.617 180.170 177.584 -0.051 0.000 1.181 100 A CA 1.391 53.401 52.037 -0.044 0.000 0.620 100 A CB -0.847 18.135 19.000 -0.030 0.000 0.819 100 A HN 0.377 nan 8.150 nan 0.000 0.442 101 V N -0.422 119.466 119.914 -0.042 0.000 2.358 101 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 101 V C 2.573 178.636 176.094 -0.051 0.000 1.047 101 V CA 1.879 64.155 62.300 -0.041 0.000 1.035 101 V CB -0.708 31.097 31.823 -0.031 0.000 0.658 101 V HN 0.359 nan 8.190 nan 0.000 0.452 102 V N 0.038 119.920 119.914 -0.054 0.000 2.295 102 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 102 V C 2.184 178.229 176.094 -0.082 0.000 1.049 102 V CA 2.295 64.559 62.300 -0.060 0.000 1.024 102 V CB -0.476 31.314 31.823 -0.056 0.000 0.648 102 V HN 0.449 nan 8.190 nan 0.000 0.447 103 I N 0.346 120.857 120.570 -0.098 0.000 2.454 103 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 103 I C 2.570 178.582 176.117 -0.174 0.000 1.156 103 I CA 1.265 62.476 61.300 -0.148 0.000 1.433 103 I CB -0.555 37.348 38.000 -0.161 0.000 1.082 103 I HN 0.299 nan 8.210 nan 0.000 0.432 104 A N 0.934 123.680 122.820 -0.124 0.000 1.898 104 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 104 A C 2.439 179.973 177.584 -0.084 0.000 1.181 104 A CA 1.721 53.693 52.037 -0.108 0.000 0.620 104 A CB -1.186 17.776 19.000 -0.065 0.000 0.819 104 A HN 0.433 nan 8.150 nan 0.000 0.442 105 G N -0.560 108.198 108.800 -0.070 0.000 2.394 105 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.215 105 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.215 105 G C 1.447 176.313 174.900 -0.057 0.000 1.165 105 G CA 1.188 46.256 45.100 -0.053 0.000 0.784 105 G HN 0.544 nan 8.290 nan 0.000 0.535 106 E N 0.087 120.239 120.200 -0.080 0.000 2.051 106 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 106 E C 2.344 178.893 176.600 -0.085 0.000 0.991 106 E CA 0.575 56.927 56.400 -0.080 0.000 0.799 106 E CB -0.432 29.207 29.700 -0.102 0.000 0.748 106 E HN 0.212 nan 8.360 nan 0.000 0.449 107 L N 0.264 121.393 121.223 -0.155 0.000 2.042 107 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 107 L C 2.314 179.211 176.870 0.046 0.000 1.076 107 L CA 1.550 56.276 54.840 -0.190 0.000 0.749 107 L CB -0.659 41.156 42.059 -0.405 0.000 0.893 107 L HN 0.295 nan 8.230 nan 0.000 0.432 108 L N -1.417 119.821 121.223 0.025 0.000 2.141 108 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 108 L C 2.718 179.614 176.870 0.044 0.000 1.094 108 L CA 0.987 55.864 54.840 0.062 0.000 0.763 108 L CB -0.309 41.764 42.059 0.023 0.000 0.908 108 L HN 0.285 nan 8.230 nan 0.000 0.437 109 R N 0.180 120.691 120.500 0.018 0.000 2.064 109 R HA -0.141 4.199 4.340 -0.000 0.000 0.228 109 R C 2.312 178.629 176.300 0.029 0.000 1.144 109 R CA 1.108 57.214 56.100 0.009 0.000 0.932 109 R CB 0.046 30.341 30.300 -0.008 0.000 0.833 109 R HN 0.047 nan 8.270 nan 0.000 0.429 110 K N 0.560 120.987 120.400 0.046 0.000 2.160 110 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 110 K C 1.904 178.560 176.600 0.092 0.000 1.047 110 K CA 1.463 57.793 56.287 0.072 0.000 0.930 110 K CB -0.485 32.074 32.500 0.098 0.000 0.720 110 K HN 0.346 nan 8.250 nan 0.000 0.450 111 A N 1.190 124.085 122.820 0.126 0.000 1.969 111 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 111 A C 2.183 179.764 177.584 -0.006 0.000 1.169 111 A CA 1.617 53.683 52.037 0.049 0.000 0.635 111 A CB -0.306 18.750 19.000 0.094 0.000 0.810 111 A HN 0.470 nan 8.150 nan 0.000 0.445 112 E N -0.018 120.188 120.200 0.010 0.000 2.107 112 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 112 E C 1.795 178.391 176.600 -0.007 0.000 0.982 112 E CA 0.962 57.358 56.400 -0.006 0.000 0.809 112 E CB -0.126 29.571 29.700 -0.005 0.000 0.756 112 E HN 0.721 nan 8.360 nan 0.000 0.459 113 E N 0.582 120.784 120.200 0.003 0.000 2.086 113 E HA -0.239 4.111 4.350 -0.000 0.000 0.200 113 E C 2.233 178.831 176.600 -0.003 0.000 1.012 113 E CA 1.385 57.787 56.400 0.003 0.000 0.812 113 E CB -0.178 29.530 29.700 0.013 0.000 0.743 113 E HN 0.362 nan 8.360 nan 0.000 0.453 114 L N 0.539 121.757 121.223 -0.008 0.000 2.131 114 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 114 L C 2.457 179.311 176.870 -0.027 0.000 1.092 114 L CA 0.672 55.500 54.840 -0.020 0.000 0.759 114 L CB -0.286 41.747 42.059 -0.043 0.000 0.903 114 L HN 0.171 nan 8.230 nan 0.000 0.435 115 L N -0.680 120.524 121.223 -0.032 0.000 2.056 115 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 115 L C 2.230 179.087 176.870 -0.023 0.000 1.078 115 L CA 0.954 55.773 54.840 -0.036 0.000 0.749 115 L CB -0.502 41.533 42.059 -0.040 0.000 0.901 115 L HN 0.238 nan 8.230 nan 0.000 0.433 116 D N -0.143 120.248 120.400 -0.016 0.000 2.104 116 D HA -0.248 4.392 4.640 -0.000 0.000 0.194 116 D C 2.088 178.384 176.300 -0.007 0.000 0.994 116 D CA 1.132 55.126 54.000 -0.010 0.000 0.830 116 D CB -0.152 40.644 40.800 -0.007 0.000 0.959 116 D HN 0.295 nan 8.370 nan 0.000 0.452 117 Q N -0.180 119.616 119.800 -0.006 0.000 2.515 117 Q HA -0.098 4.242 4.340 -0.000 0.000 0.215 117 Q C 0.007 176.006 176.000 -0.002 0.000 0.983 117 Q CA 0.554 56.356 55.803 -0.003 0.000 0.905 117 Q CB -0.092 28.644 28.738 -0.003 0.000 0.961 117 Q HN 0.351 nan 8.270 nan 0.000 0.503 118 N N -1.677 117.021 118.700 -0.004 0.000 2.994 118 N HA -0.155 4.585 4.740 -0.000 0.000 0.221 118 N C -0.859 174.657 175.510 0.011 0.000 0.900 118 N CA 0.068 53.118 53.050 0.001 0.000 1.008 118 N CB -0.941 37.550 38.487 0.006 0.000 1.053 118 N HN 0.168 nan 8.380 nan 0.000 0.580 119 I N 2.136 122.709 120.570 0.005 0.000 2.668 119 I HA -0.065 4.105 4.170 -0.000 0.000 0.285 119 I C 1.363 177.500 176.117 0.033 0.000 1.168 119 I CA 0.175 61.487 61.300 0.020 0.000 1.424 119 I CB 0.143 38.142 38.000 -0.003 0.000 1.377 119 I HN 0.196 nan 8.210 nan 0.000 0.560 120 H N 9.645 128.698 119.070 -0.028 0.000 2.972 120 H HA 0.007 4.563 4.556 -0.000 0.000 0.343 120 H C -1.463 173.844 175.328 -0.036 0.000 1.054 120 H CA -0.879 55.154 56.048 -0.025 0.000 1.412 120 H CB 1.356 31.106 29.762 -0.019 0.000 1.385 120 H HN 0.415 nan 8.280 nan 0.000 0.600 121 P HA -0.192 nan 4.420 nan 0.000 0.218 121 P C 1.660 178.981 177.300 0.034 0.000 1.148 121 P CA 1.354 64.382 63.100 -0.120 0.000 0.822 121 P CB 0.184 31.771 31.700 -0.189 0.000 0.784 122 S N -0.300 115.575 115.700 0.290 0.000 2.365 122 S HA -0.152 4.317 4.470 -0.000 0.000 0.225 122 S C 1.987 176.652 174.600 0.108 0.000 1.039 122 S CA 1.327 59.683 58.200 0.259 0.000 1.033 122 S CB -0.779 62.617 63.200 0.326 0.000 0.887 122 S HN -0.111 nan 8.310 nan 0.000 0.447 123 I N 1.730 122.360 120.570 0.100 0.000 2.226 123 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 123 I C 2.290 178.390 176.117 -0.028 0.000 1.100 123 I CA 1.190 62.505 61.300 0.024 0.000 1.374 123 I CB -1.381 36.632 38.000 0.021 0.000 1.057 123 I HN 0.403 nan 8.210 nan 0.000 0.413 124 I N 0.654 121.180 120.570 -0.073 0.000 2.252 124 I HA -0.262 3.907 4.170 -0.000 0.000 0.245 124 I C 2.586 178.557 176.117 -0.244 0.000 1.102 124 I CA 1.328 62.493 61.300 -0.225 0.000 1.385 124 I CB -0.328 37.502 38.000 -0.285 0.000 1.064 124 I HN 0.069 nan 8.210 nan 0.000 0.414 125 I N 0.776 121.291 120.570 -0.092 0.000 2.127 125 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 125 I C 2.599 178.759 176.117 0.072 0.000 1.075 125 I CA 1.323 62.633 61.300 0.016 0.000 1.334 125 I CB -0.488 37.540 38.000 0.045 0.000 1.040 125 I HN 0.146 nan 8.210 nan 0.000 0.405 126 K N 0.993 121.420 120.400 0.044 0.000 2.103 126 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 126 K C 2.083 178.723 176.600 0.067 0.000 1.048 126 K CA 1.661 57.979 56.287 0.052 0.000 0.930 126 K CB -0.997 31.520 32.500 0.029 0.000 0.716 126 K HN 0.492 nan 8.250 nan 0.000 0.444 127 G N -0.546 108.285 108.800 0.052 0.000 2.403 127 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 127 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 127 G C 1.565 176.591 174.900 0.210 0.000 1.154 127 G CA 0.262 45.411 45.100 0.083 0.000 0.784 127 G HN 0.330 nan 8.290 nan 0.000 0.538 128 Y N 0.819 121.169 120.300 0.082 0.000 2.293 128 Y HA -0.053 4.497 4.550 -0.000 0.000 0.291 128 Y C 3.220 179.133 175.900 0.021 0.000 1.137 128 Y CA 0.229 58.421 58.100 0.153 0.000 1.202 128 Y CB 0.125 38.753 38.460 0.280 0.000 0.990 128 Y HN 0.313 nan 8.280 nan 0.000 0.537 129 A N 0.639 123.580 122.820 0.201 0.000 1.858 129 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 129 A C 2.140 179.739 177.584 0.024 0.000 1.190 129 A CA 1.475 53.572 52.037 0.100 0.000 0.617 129 A CB -1.073 17.982 19.000 0.091 0.000 0.827 129 A HN 0.437 nan 8.150 nan 0.000 0.443 130 L N -0.782 120.471 121.223 0.050 0.000 2.017 130 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 130 L C 3.075 179.954 176.870 0.015 0.000 1.073 130 L CA 1.220 56.114 54.840 0.090 0.000 0.745 130 L CB -0.804 41.373 42.059 0.197 0.000 0.894 130 L HN 0.428 nan 8.230 nan 0.000 0.432 131 A N 0.152 122.904 122.820 -0.113 0.000 1.933 131 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 131 A C 2.541 179.683 177.584 -0.736 0.000 1.175 131 A CA 1.764 53.524 52.037 -0.461 0.000 0.628 131 A CB -0.598 17.885 19.000 -0.862 0.000 0.814 131 A HN 0.416 nan 8.150 nan 0.000 0.444 132 A N -0.693 121.772 122.820 -0.591 0.000 1.841 132 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 132 A C 2.040 179.541 177.584 -0.139 0.000 1.195 132 A CA 1.591 53.474 52.037 -0.258 0.000 0.611 132 A CB -0.549 18.453 19.000 0.003 0.000 0.835 132 A HN 0.394 nan 8.150 nan 0.000 0.443 133 E N -0.162 119.972 120.200 -0.109 0.000 2.085 133 E HA -0.227 4.122 4.350 -0.000 0.000 0.194 133 E C 1.995 178.504 176.600 -0.152 0.000 0.994 133 E CA 1.712 58.058 56.400 -0.090 0.000 0.801 133 E CB -0.192 29.472 29.700 -0.059 0.000 0.743 133 E HN 0.485 nan 8.360 nan 0.000 0.453 134 K N 0.444 120.691 120.400 -0.255 0.000 2.283 134 K HA -0.018 4.301 4.320 -0.000 0.000 0.202 134 K C 1.711 178.146 176.600 -0.275 0.000 1.048 134 K CA 1.095 57.143 56.287 -0.399 0.000 0.948 134 K CB -0.236 31.742 32.500 -0.868 0.000 0.742 134 K HN 0.087 nan 8.250 nan 0.000 0.458 135 A N 0.251 122.947 122.820 -0.206 0.000 1.897 135 A HA -0.127 4.192 4.320 -0.000 0.000 0.215 135 A C 1.951 179.498 177.584 -0.061 0.000 1.181 135 A CA 1.067 53.039 52.037 -0.108 0.000 0.620 135 A CB -0.420 18.553 19.000 -0.046 0.000 0.821 135 A HN 0.291 nan 8.150 nan 0.000 0.443 136 Q N -0.183 119.582 119.800 -0.057 0.000 2.061 136 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 136 Q C 1.922 177.895 176.000 -0.044 0.000 0.984 136 Q CA 1.843 57.625 55.803 -0.034 0.000 0.846 136 Q CB -0.553 28.168 28.738 -0.029 0.000 0.902 136 Q HN 0.854 nan 8.270 nan 0.000 0.421 137 E N 0.337 120.495 120.200 -0.071 0.000 2.049 137 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 137 E C 2.070 178.634 176.600 -0.060 0.000 1.007 137 E CA 1.206 57.562 56.400 -0.073 0.000 0.809 137 E CB -0.147 29.485 29.700 -0.115 0.000 0.749 137 E HN 0.328 nan 8.360 nan 0.000 0.450 138 I N 0.594 121.123 120.570 -0.069 0.000 2.335 138 I HA -0.294 3.876 4.170 -0.000 0.000 0.251 138 I C 2.269 178.376 176.117 -0.017 0.000 1.129 138 I CA 0.807 62.082 61.300 -0.043 0.000 1.402 138 I CB -0.176 37.799 38.000 -0.041 0.000 1.069 138 I HN 0.184 nan 8.210 nan 0.000 0.424 139 L N -0.063 121.151 121.223 -0.014 0.000 2.049 139 L HA -0.147 4.193 4.340 -0.000 0.000 0.203 139 L C 2.232 179.100 176.870 -0.003 0.000 1.074 139 L CA 1.081 55.921 54.840 -0.001 0.000 0.749 139 L CB -0.645 41.415 42.059 0.002 0.000 0.907 139 L HN 0.182 nan 8.230 nan 0.000 0.439 140 D N 0.029 120.423 120.400 -0.009 0.000 2.149 140 D HA -0.269 4.371 4.640 -0.000 0.000 0.194 140 D C 1.963 178.260 176.300 -0.006 0.000 1.001 140 D CA 1.476 55.471 54.000 -0.008 0.000 0.849 140 D CB -0.013 40.779 40.800 -0.012 0.000 0.939 140 D HN 0.404 nan 8.370 nan 0.000 0.449 141 E N 0.350 120.544 120.200 -0.010 0.000 2.047 141 E HA -0.122 4.227 4.350 -0.000 0.000 0.191 141 E C 2.350 178.949 176.600 -0.002 0.000 0.987 141 E CA 0.671 57.066 56.400 -0.008 0.000 0.799 141 E CB -0.023 29.669 29.700 -0.013 0.000 0.752 141 E HN 0.422 nan 8.360 nan 0.000 0.449 142 I N -1.261 119.311 120.570 0.002 0.000 3.111 142 I HA 0.190 4.360 4.170 -0.000 0.000 0.272 142 I C 0.853 176.975 176.117 0.009 0.000 1.268 142 I CA -0.053 61.252 61.300 0.009 0.000 1.467 142 I CB -0.194 37.819 38.000 0.021 0.000 1.087 142 I HN -0.112 nan 8.210 nan 0.000 0.467 143 A N 2.460 125.284 122.820 0.007 0.000 2.548 143 A HA 0.275 4.595 4.320 -0.000 0.000 0.247 143 A C 0.336 177.923 177.584 0.005 0.000 1.067 143 A CA -0.065 51.976 52.037 0.007 0.000 0.757 143 A CB -0.490 18.513 19.000 0.005 0.000 0.996 143 A HN 0.470 nan 8.150 nan 0.000 0.504 144 I N 4.608 125.182 120.570 0.006 0.000 2.357 144 I HA 0.027 4.197 4.170 -0.000 0.000 0.300 144 I C 0.453 176.571 176.117 0.002 0.000 1.159 144 I CA -0.231 61.071 61.300 0.003 0.000 1.339 144 I CB -0.143 37.860 38.000 0.004 0.000 1.458 144 I HN 0.503 nan 8.210 nan 0.000 0.577 145 R N 4.788 125.289 120.500 0.002 0.000 2.446 145 R HA 0.160 4.500 4.340 -0.000 0.000 0.325 145 R C -0.245 176.056 176.300 0.001 0.000 0.997 145 R CA 0.003 56.104 56.100 0.002 0.000 1.010 145 R CB 0.577 30.879 30.300 0.004 0.000 0.946 145 R HN 0.377 nan 8.270 nan 0.000 0.422 146 V N 1.872 121.786 119.914 -0.001 0.000 3.096 146 V HA 0.209 4.329 4.120 -0.000 0.000 0.319 146 V C -0.349 175.743 176.094 -0.004 0.000 1.103 146 V CA -0.928 61.370 62.300 -0.004 0.000 1.016 146 V CB 2.271 34.088 31.823 -0.009 0.000 1.090 146 V HN 0.642 nan 8.190 nan 0.000 0.449 147 D N 3.606 124.003 120.400 -0.004 0.000 2.344 147 D HA 0.273 4.913 4.640 -0.000 0.000 0.253 147 D C -1.583 174.705 176.300 -0.019 0.000 1.255 147 D CA -1.712 52.289 54.000 0.001 0.000 0.894 147 D CB 1.489 42.293 40.800 0.006 0.000 1.067 147 D HN 0.288 nan 8.370 nan 0.000 0.492 148 P HA -0.227 nan 4.420 nan 0.000 0.227 148 P C 0.123 177.290 177.300 -0.221 0.000 1.154 148 P CA 1.524 64.575 63.100 -0.081 0.000 0.879 148 P CB 0.184 31.904 31.700 0.034 0.000 0.779 149 D N -4.190 116.132 120.400 -0.131 0.000 2.540 149 D HA 0.034 4.674 4.640 -0.000 0.000 0.229 149 D C -0.153 176.107 176.300 -0.067 0.000 1.250 149 D CA -0.366 53.539 54.000 -0.158 0.000 0.817 149 D CB -1.083 39.674 40.800 -0.072 0.000 1.060 149 D HN -0.015 nan 8.370 nan 0.000 0.508 150 D N 1.665 122.037 120.400 -0.046 0.000 2.433 150 D HA -0.093 4.547 4.640 -0.000 0.000 0.274 150 D C 1.366 177.649 176.300 -0.028 0.000 1.344 150 D CA 0.308 54.294 54.000 -0.025 0.000 0.989 150 D CB 0.820 41.609 40.800 -0.019 0.000 1.116 150 D HN 0.100 nan 8.370 nan 0.000 0.533 151 E N 3.352 123.541 120.200 -0.018 0.000 2.065 151 E HA -0.320 4.030 4.350 -0.000 0.000 0.201 151 E C 1.346 177.938 176.600 -0.014 0.000 1.016 151 E CA 2.036 58.427 56.400 -0.015 0.000 0.818 151 E CB -0.120 29.576 29.700 -0.005 0.000 0.749 151 E HN 0.613 nan 8.360 nan 0.000 0.453 152 E N -0.212 119.982 120.200 -0.010 0.000 2.054 152 E HA -0.274 4.076 4.350 -0.000 0.000 0.225 152 E C 2.131 178.724 176.600 -0.011 0.000 1.048 152 E CA 3.173 59.568 56.400 -0.008 0.000 0.899 152 E CB -1.188 28.509 29.700 -0.006 0.000 0.801 152 E HN 0.442 nan 8.360 nan 0.000 0.495 153 T N -1.296 113.250 114.554 -0.013 0.000 2.881 153 T HA -0.141 4.209 4.350 -0.000 0.000 0.270 153 T C 1.931 176.621 174.700 -0.017 0.000 1.068 153 T CA 1.248 63.340 62.100 -0.013 0.000 1.131 153 T CB -0.384 68.476 68.868 -0.013 0.000 0.871 153 T HN 0.146 nan 8.240 nan 0.000 0.479 154 L N 0.160 121.367 121.223 -0.025 0.000 2.141 154 L HA 0.149 4.489 4.340 -0.000 0.000 0.209 154 L C 2.381 179.241 176.870 -0.018 0.000 1.094 154 L CA 1.105 55.926 54.840 -0.031 0.000 0.763 154 L CB -0.777 41.254 42.059 -0.048 0.000 0.908 154 L HN 0.268 nan 8.230 nan 0.000 0.437 155 L N -0.900 120.316 121.223 -0.012 0.000 2.109 155 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 155 L C 2.399 179.267 176.870 -0.003 0.000 1.086 155 L CA 1.470 56.307 54.840 -0.005 0.000 0.760 155 L CB -0.969 41.088 42.059 -0.004 0.000 0.910 155 L HN 0.326 nan 8.230 nan 0.000 0.437 156 K N -0.371 120.026 120.400 -0.005 0.000 1.985 156 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 156 K C 1.998 178.599 176.600 0.002 0.000 1.047 156 K CA 0.997 57.283 56.287 -0.002 0.000 0.932 156 K CB -0.092 32.407 32.500 -0.002 0.000 0.716 156 K HN 0.076 nan 8.250 nan 0.000 0.439 157 I N 1.559 122.129 120.570 -0.000 0.000 2.145 157 I HA -0.324 3.846 4.170 -0.000 0.000 0.244 157 I C 2.488 178.609 176.117 0.007 0.000 1.075 157 I CA 1.682 62.984 61.300 0.002 0.000 1.332 157 I CB -1.388 36.609 38.000 -0.006 0.000 1.033 157 I HN 0.193 nan 8.210 nan 0.000 0.410 158 A N 0.519 123.342 122.820 0.006 0.000 1.877 158 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 158 A C 2.562 180.156 177.584 0.017 0.000 1.186 158 A CA 2.032 54.076 52.037 0.013 0.000 0.620 158 A CB -0.797 18.211 19.000 0.014 0.000 0.822 158 A HN 0.435 nan 8.150 nan 0.000 0.443 159 A N -1.126 121.702 122.820 0.013 0.000 1.898 159 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 159 A C 2.248 179.845 177.584 0.021 0.000 1.181 159 A CA 2.164 54.209 52.037 0.013 0.000 0.620 159 A CB -1.220 17.781 19.000 0.002 0.000 0.819 159 A HN 0.413 nan 8.150 nan 0.000 0.442 160 T N -0.591 113.976 114.554 0.023 0.000 2.881 160 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 160 T C 2.164 176.887 174.700 0.040 0.000 1.068 160 T CA 1.538 63.660 62.100 0.037 0.000 1.131 160 T CB -0.180 68.708 68.868 0.033 0.000 0.871 160 T HN 0.515 nan 8.240 nan 0.000 0.479 161 S N 0.555 116.272 115.700 0.028 0.000 2.377 161 S HA 0.073 4.543 4.470 -0.000 0.000 0.223 161 S C 1.941 176.556 174.600 0.025 0.000 1.030 161 S CA 0.424 58.638 58.200 0.023 0.000 0.970 161 S CB -0.305 62.904 63.200 0.016 0.000 0.830 161 S HN 0.486 nan 8.310 nan 0.000 0.473 162 I N 1.192 121.779 120.570 0.028 0.000 2.546 162 I HA -0.043 4.127 4.170 -0.000 0.000 0.255 162 I C 0.464 176.609 176.117 0.047 0.000 1.163 162 I CA 0.721 62.040 61.300 0.031 0.000 1.457 162 I CB -0.383 37.636 38.000 0.033 0.000 1.092 162 I HN 0.176 nan 8.210 nan 0.000 0.434 163 T N 1.508 116.100 114.554 0.063 0.000 3.414 163 T HA 0.413 4.763 4.350 -0.000 0.000 0.304 163 T C 0.805 175.569 174.700 0.107 0.000 1.241 163 T CA 0.273 62.441 62.100 0.114 0.000 1.076 163 T CB 0.241 69.200 68.868 0.152 0.000 1.134 163 T HN 0.552 nan 8.240 nan 0.000 0.759 164 G N 1.994 110.835 108.800 0.069 0.000 4.452 164 G HA2 0.111 4.071 3.960 -0.000 0.000 0.157 164 G HA3 0.111 4.071 3.960 -0.000 0.000 0.157 164 G C 0.104 175.015 174.900 0.018 0.000 0.823 164 G CA -0.454 44.666 45.100 0.034 0.000 0.808 164 G HN 0.446 nan 8.290 nan 0.000 0.443 165 K N -0.014 120.402 120.400 0.027 0.000 2.279 165 K HA 0.377 4.696 4.320 -0.000 0.000 0.238 165 K C 0.750 177.367 176.600 0.028 0.000 1.084 165 K CA -0.652 55.645 56.287 0.016 0.000 0.885 165 K CB 1.556 34.060 32.500 0.006 0.000 1.319 165 K HN 0.035 nan 8.250 nan 0.000 0.494 166 N N 0.869 119.582 118.700 0.022 0.000 2.002 166 N HA -0.227 4.513 4.740 -0.000 0.000 0.199 166 N C 1.091 176.626 175.510 0.043 0.000 1.060 166 N CA 1.558 54.627 53.050 0.030 0.000 0.867 166 N CB -0.170 38.334 38.487 0.028 0.000 1.069 166 N HN 0.597 nan 8.380 nan 0.000 0.430 167 A N 1.224 124.076 122.820 0.054 0.000 2.121 167 A HA -0.110 4.210 4.320 -0.000 0.000 0.204 167 A C 1.230 178.866 177.584 0.087 0.000 1.365 167 A CA 0.598 52.691 52.037 0.094 0.000 1.070 167 A CB -0.914 18.147 19.000 0.101 0.000 0.756 167 A HN 0.719 nan 8.150 nan 0.000 0.521 168 E N 0.006 120.234 120.200 0.046 0.000 2.516 168 E HA -0.117 4.233 4.350 -0.000 0.000 0.199 168 E C 1.333 177.910 176.600 -0.038 0.000 1.069 168 E CA 0.919 57.338 56.400 0.031 0.000 0.876 168 E CB -0.435 29.304 29.700 0.066 0.000 0.843 168 E HN 0.684 nan 8.360 nan 0.000 0.530 169 S N 0.833 116.460 115.700 -0.122 0.000 2.428 169 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 169 S C 0.485 174.774 174.600 -0.519 0.000 1.014 169 S CA 0.822 58.806 58.200 -0.360 0.000 0.957 169 S CB -0.447 62.444 63.200 -0.515 0.000 0.784 169 S HN 0.518 nan 8.310 nan 0.000 0.499 170 H N 0.863 119.935 119.070 0.003 0.000 2.624 170 H HA 0.386 4.942 4.556 -0.000 0.000 0.233 170 H C 0.949 176.277 175.328 0.001 0.000 1.376 170 H CA -0.581 55.468 56.048 0.001 0.000 1.137 170 H CB 0.121 29.887 29.762 0.007 0.000 1.867 170 H HN 0.462 nan 8.280 nan 0.000 0.547 171 K N 0.335 120.773 120.400 0.063 0.000 2.209 171 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 171 K C 1.580 178.205 176.600 0.041 0.000 1.048 171 K CA 1.582 57.896 56.287 0.045 0.000 0.940 171 K CB 0.399 32.904 32.500 0.009 0.000 0.729 171 K HN 0.213 nan 8.250 nan 0.000 0.451 172 E N 1.636 121.859 120.200 0.038 0.000 2.013 172 E HA -0.235 4.114 4.350 -0.000 0.000 0.202 172 E C 1.896 178.521 176.600 0.042 0.000 1.018 172 E CA 1.588 58.006 56.400 0.031 0.000 0.834 172 E CB -0.481 29.235 29.700 0.028 0.000 0.770 172 E HN 0.322 nan 8.360 nan 0.000 0.459 173 L N 0.331 121.592 121.223 0.063 0.000 1.955 173 L HA -0.123 4.217 4.340 -0.000 0.000 0.213 173 L C 2.412 179.310 176.870 0.046 0.000 1.072 173 L CA 1.956 56.827 54.840 0.051 0.000 0.755 173 L CB -0.942 41.148 42.059 0.051 0.000 0.888 173 L HN 0.374 nan 8.230 nan 0.000 0.432 174 L N -0.319 120.938 121.223 0.056 0.000 2.129 174 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 174 L C 2.640 179.540 176.870 0.050 0.000 1.087 174 L CA 1.336 56.208 54.840 0.053 0.000 0.757 174 L CB -1.133 40.960 42.059 0.056 0.000 0.896 174 L HN 0.462 nan 8.230 nan 0.000 0.434 175 A N 0.160 123.004 122.820 0.042 0.000 1.872 175 A HA -0.216 4.104 4.320 -0.000 0.000 0.214 175 A C 2.407 180.008 177.584 0.029 0.000 1.187 175 A CA 1.740 53.796 52.037 0.032 0.000 0.614 175 A CB -0.424 18.589 19.000 0.022 0.000 0.826 175 A HN 0.347 nan 8.150 nan 0.000 0.442 176 K N 0.019 120.435 120.400 0.027 0.000 2.001 176 K HA -0.166 4.154 4.320 -0.000 0.000 0.214 176 K C 1.885 178.500 176.600 0.026 0.000 1.050 176 K CA 1.935 58.236 56.287 0.022 0.000 0.934 176 K CB -0.475 32.038 32.500 0.022 0.000 0.718 176 K HN 0.445 nan 8.250 nan 0.000 0.443 177 L N 0.370 121.614 121.223 0.034 0.000 2.042 177 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 177 L C 2.727 179.624 176.870 0.045 0.000 1.076 177 L CA 1.377 56.241 54.840 0.039 0.000 0.749 177 L CB -0.731 41.360 42.059 0.053 0.000 0.893 177 L HN 0.384 nan 8.230 nan 0.000 0.432 178 A N -0.256 122.598 122.820 0.057 0.000 1.930 178 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 178 A C 2.305 179.909 177.584 0.035 0.000 1.175 178 A CA 1.557 53.633 52.037 0.065 0.000 0.627 178 A CB -0.617 18.428 19.000 0.074 0.000 0.815 178 A HN 0.212 nan 8.150 nan 0.000 0.443 179 V N -0.163 119.763 119.914 0.021 0.000 2.379 179 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 179 V C 2.443 178.538 176.094 0.001 0.000 1.044 179 V CA 2.084 64.386 62.300 0.004 0.000 1.036 179 V CB -0.810 31.012 31.823 -0.001 0.000 0.664 179 V HN 0.739 nan 8.190 nan 0.000 0.453 180 E N 0.738 120.942 120.200 0.008 0.000 2.038 180 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 180 E C 2.213 178.815 176.600 0.002 0.000 1.000 180 E CA 1.589 57.994 56.400 0.007 0.000 0.803 180 E CB -0.288 29.418 29.700 0.011 0.000 0.750 180 E HN 0.540 nan 8.360 nan 0.000 0.448 181 A N 0.220 123.038 122.820 -0.002 0.000 2.019 181 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 181 A C 2.226 179.797 177.584 -0.022 0.000 1.164 181 A CA 1.298 53.322 52.037 -0.022 0.000 0.644 181 A CB -0.172 18.803 19.000 -0.042 0.000 0.805 181 A HN 0.240 nan 8.150 nan 0.000 0.449 182 V N -0.519 119.390 119.914 -0.008 0.000 2.725 182 V HA -0.107 4.013 4.120 -0.000 0.000 0.247 182 V C 2.184 178.283 176.094 0.008 0.000 1.058 182 V CA 1.678 63.975 62.300 -0.004 0.000 1.080 182 V CB -0.408 31.412 31.823 -0.005 0.000 0.713 182 V HN 0.496 nan 8.190 nan 0.000 0.465 183 K N 0.202 120.606 120.400 0.006 0.000 2.148 183 K HA -0.210 4.110 4.320 -0.000 0.000 0.204 183 K C 2.221 178.851 176.600 0.050 0.000 1.050 183 K CA 1.381 57.685 56.287 0.029 0.000 0.942 183 K CB -0.088 32.422 32.500 0.018 0.000 0.724 183 K HN 0.324 nan 8.250 nan 0.000 0.446 184 Q N 1.197 121.012 119.800 0.026 0.000 2.046 184 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 184 Q C 1.883 177.894 176.000 0.019 0.000 0.975 184 Q CA 1.733 57.548 55.803 0.020 0.000 0.836 184 Q CB -0.044 28.696 28.738 0.003 0.000 0.896 184 Q HN 0.241 nan 8.270 nan 0.000 0.428 185 V N -1.721 118.198 119.914 0.008 0.000 3.461 185 V HA 0.426 4.546 4.120 -0.000 0.000 0.267 185 V C 0.988 177.099 176.094 0.028 0.000 1.186 185 V CA 0.234 62.536 62.300 0.003 0.000 1.154 185 V CB -1.395 30.415 31.823 -0.022 0.000 0.802 185 V HN 0.348 nan 8.190 nan 0.000 0.474 186 A N 0.859 123.717 122.820 0.063 0.000 2.521 186 A HA 0.395 4.714 4.320 -0.000 0.000 0.237 186 A C 0.200 177.841 177.584 0.096 0.000 1.087 186 A CA 0.467 52.579 52.037 0.125 0.000 0.777 186 A CB 0.070 19.214 19.000 0.240 0.000 1.035 186 A HN 0.683 nan 8.150 nan 0.000 0.510 187 E N -0.529 119.727 120.200 0.094 0.000 2.278 187 E HA 0.500 4.849 4.350 -0.000 0.000 0.272 187 E C -0.992 175.547 176.600 -0.100 0.000 0.890 187 E CA -0.330 56.067 56.400 -0.005 0.000 0.770 187 E CB 1.274 30.973 29.700 -0.001 0.000 1.212 187 E HN 0.509 nan 8.360 nan 0.000 0.415 188 K N 4.232 124.498 120.400 -0.223 0.000 2.865 188 K HA 0.189 4.509 4.320 -0.000 0.000 0.215 188 K C -0.453 176.015 176.600 -0.220 0.000 1.120 188 K CA -0.310 55.768 56.287 -0.349 0.000 1.037 188 K CB 0.235 32.215 32.500 -0.868 0.000 1.233 188 K HN 0.325 nan 8.250 nan 0.000 0.577 189 K N 0.887 121.209 120.400 -0.130 0.000 2.355 189 K HA 0.081 4.401 4.320 -0.000 0.000 0.198 189 K C 0.251 176.808 176.600 -0.072 0.000 1.039 189 K CA 0.486 56.719 56.287 -0.090 0.000 1.075 189 K CB 0.363 32.827 32.500 -0.060 0.000 0.870 189 K HN 0.384 nan 8.250 nan 0.000 0.540 190 D N -0.200 120.156 120.400 -0.074 0.000 2.462 190 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 190 D C 0.821 177.092 176.300 -0.049 0.000 1.173 190 D CA 0.222 54.193 54.000 -0.049 0.000 0.831 190 D CB 0.649 41.429 40.800 -0.033 0.000 1.001 190 D HN 0.315 nan 8.370 nan 0.000 0.499 191 G N 1.389 110.144 108.800 -0.075 0.000 2.956 191 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.210 191 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.210 191 G C 0.172 175.033 174.900 -0.065 0.000 1.316 191 G CA -0.302 44.763 45.100 -0.059 0.000 0.819 191 G HN 0.322 nan 8.290 nan 0.000 0.544 192 K N 0.341 120.722 120.400 -0.031 0.000 2.123 192 K HA 0.616 4.936 4.320 -0.000 0.000 0.248 192 K C -0.530 176.075 176.600 0.007 0.000 0.969 192 K CA -0.742 55.571 56.287 0.043 0.000 0.882 192 K CB 1.281 33.826 32.500 0.075 0.000 1.080 192 K HN 0.238 nan 8.250 nan 0.000 0.441 193 Y N 0.087 120.388 120.300 0.001 0.000 2.299 193 Y HA 0.222 4.772 4.550 -0.000 0.000 0.335 193 Y C 0.368 176.268 175.900 0.000 0.000 1.287 193 Y CA -0.415 57.685 58.100 0.000 0.000 1.424 193 Y CB 0.784 39.245 38.460 0.001 0.000 1.326 193 Y HN 0.076 nan 8.280 nan 0.000 0.567 194 V N 1.970 121.979 119.914 0.159 0.000 2.711 194 V HA 0.374 4.494 4.120 -0.000 0.000 0.304 194 V C -1.265 174.881 176.094 0.087 0.000 1.097 194 V CA -0.932 61.421 62.300 0.088 0.000 0.906 194 V CB 1.826 33.673 31.823 0.040 0.000 1.015 194 V HN 0.453 nan 8.190 nan 0.000 0.427 195 V N 3.264 123.219 119.914 0.068 0.000 2.376 195 V HA 0.419 4.538 4.120 -0.000 0.000 0.287 195 V C -0.423 175.688 176.094 0.029 0.000 1.015 195 V CA -0.464 61.867 62.300 0.052 0.000 0.834 195 V CB 1.791 33.642 31.823 0.047 0.000 1.001 195 V HN 0.903 nan 8.190 nan 0.000 0.428 196 D N 4.660 125.071 120.400 0.018 0.000 2.411 196 D HA 0.240 4.880 4.640 -0.000 0.000 0.225 196 D C 1.031 177.331 176.300 -0.001 0.000 1.156 196 D CA -0.189 53.815 54.000 0.007 0.000 0.874 196 D CB 1.399 42.199 40.800 0.000 0.000 1.034 196 D HN 0.482 nan 8.370 nan 0.000 0.502 197 L N 2.603 123.829 121.223 0.005 0.000 2.353 197 L HA -0.120 4.219 4.340 -0.000 0.000 0.220 197 L C 1.535 178.392 176.870 -0.021 0.000 1.133 197 L CA 0.582 55.422 54.840 -0.001 0.000 0.798 197 L CB -0.058 42.017 42.059 0.028 0.000 0.922 197 L HN 0.335 nan 8.230 nan 0.000 0.445 198 D N 0.154 120.543 120.400 -0.017 0.000 2.309 198 D HA -0.130 4.510 4.640 -0.000 0.000 0.212 198 D C 1.197 177.462 176.300 -0.059 0.000 0.968 198 D CA 0.783 54.766 54.000 -0.029 0.000 0.882 198 D CB -0.126 40.662 40.800 -0.019 0.000 0.918 198 D HN 0.342 nan 8.370 nan 0.000 0.503 199 N N 0.482 119.146 118.700 -0.060 0.000 2.413 199 N HA 0.079 4.819 4.740 -0.000 0.000 0.207 199 N C -0.134 175.306 175.510 -0.117 0.000 1.206 199 N CA 0.237 53.243 53.050 -0.075 0.000 0.832 199 N CB 0.723 39.181 38.487 -0.050 0.000 1.037 199 N HN 0.290 nan 8.380 nan 0.000 0.467 200 I N 0.727 121.197 120.570 -0.167 0.000 2.503 200 I HA 0.151 4.321 4.170 -0.000 0.000 0.282 200 I C -0.192 175.669 176.117 -0.427 0.000 1.059 200 I CA -0.646 60.475 61.300 -0.297 0.000 1.081 200 I CB 2.022 39.822 38.000 -0.334 0.000 1.210 200 I HN -0.244 nan 8.210 nan 0.000 0.450 201 K N 6.276 126.444 120.400 -0.387 0.000 2.130 201 K HA 0.586 4.906 4.320 -0.000 0.000 0.268 201 K C -1.485 174.852 176.600 -0.439 0.000 0.983 201 K CA -0.342 55.752 56.287 -0.323 0.000 0.893 201 K CB 1.179 33.568 32.500 -0.185 0.000 1.066 201 K HN 0.304 nan 8.250 nan 0.000 0.450 202 F N 2.234 122.157 119.950 -0.046 0.000 2.427 202 F HA 0.237 4.764 4.527 -0.000 0.000 0.346 202 F C 0.080 175.850 175.800 -0.049 0.000 1.120 202 F CA -0.751 57.224 58.000 -0.041 0.000 1.033 202 F CB 1.767 40.749 39.000 -0.029 0.000 1.126 202 F HN 0.511 nan 8.300 nan 0.000 0.462 203 E N 3.818 124.088 120.200 0.117 0.000 2.145 203 E HA 0.359 4.708 4.350 -0.000 0.000 0.270 203 E C -1.335 175.301 176.600 0.061 0.000 0.906 203 E CA -0.712 55.711 56.400 0.039 0.000 0.761 203 E CB 0.972 30.642 29.700 -0.050 0.000 1.116 203 E HN 0.415 nan 8.360 nan 0.000 0.408 204 K N 3.621 124.049 120.400 0.047 0.000 2.244 204 K HA 0.523 4.843 4.320 -0.000 0.000 0.260 204 K C -0.674 175.946 176.600 0.034 0.000 0.951 204 K CA -1.039 55.271 56.287 0.038 0.000 0.826 204 K CB 1.439 33.954 32.500 0.025 0.000 1.108 204 K HN 0.098 nan 8.250 nan 0.000 0.433 205 K N 1.873 122.296 120.400 0.038 0.000 2.615 205 K HA 0.346 4.666 4.320 -0.000 0.000 0.249 205 K C -1.035 175.587 176.600 0.037 0.000 0.977 205 K CA -0.518 55.794 56.287 0.042 0.000 0.833 205 K CB 2.046 34.581 32.500 0.059 0.000 1.208 205 K HN 0.833 nan 8.250 nan 0.000 0.443 206 A N 1.528 124.368 122.820 0.033 0.000 2.425 206 A HA 0.644 4.964 4.320 -0.000 0.000 0.242 206 A C 0.663 178.263 177.584 0.027 0.000 1.077 206 A CA 1.174 53.228 52.037 0.030 0.000 0.781 206 A CB -0.121 18.898 19.000 0.030 0.000 1.020 206 A HN 0.945 nan 8.150 nan 0.000 0.494 207 G N 0.087 108.899 108.800 0.021 0.000 2.661 207 G HA2 0.341 4.301 3.960 -0.000 0.000 0.685 207 G HA3 0.341 4.301 3.960 -0.000 0.000 0.685 207 G C -0.238 174.671 174.900 0.014 0.000 1.298 207 G CA 0.024 45.134 45.100 0.017 0.000 0.855 207 G HN 1.681 nan 8.290 nan 0.000 0.560 208 E N -2.117 118.089 120.200 0.011 0.000 3.611 208 E HA -0.064 4.286 4.350 -0.000 0.000 0.238 208 E C 0.794 177.394 176.600 0.000 0.000 1.468 208 E CA 2.054 58.457 56.400 0.006 0.000 2.235 208 E CB -1.380 28.323 29.700 0.006 0.000 2.090 208 E HN 2.203 nan 8.360 nan 0.000 0.483 209 G N -1.435 107.358 108.800 -0.012 0.000 2.630 209 G HA2 0.498 4.458 3.960 -0.000 0.000 0.296 209 G HA3 0.498 4.458 3.960 -0.000 0.000 0.296 209 G C 0.680 175.526 174.900 -0.091 0.000 1.285 209 G CA -0.088 44.994 45.100 -0.030 0.000 0.958 209 G HN 0.262 nan 8.290 nan 0.000 0.479 210 V N 0.600 120.401 119.914 -0.188 0.000 3.078 210 V HA -0.073 4.047 4.120 -0.000 0.000 0.265 210 V C 2.314 178.198 176.094 -0.350 0.000 1.122 210 V CA 1.394 63.505 62.300 -0.315 0.000 1.141 210 V CB -0.376 31.120 31.823 -0.546 0.000 0.735 210 V HN 0.646 nan 8.190 nan 0.000 0.498 211 E N 0.464 120.504 120.200 -0.267 0.000 2.204 211 E HA -0.135 4.214 4.350 -0.000 0.000 0.194 211 E C 1.848 178.409 176.600 -0.064 0.000 0.989 211 E CA 0.702 57.022 56.400 -0.133 0.000 0.824 211 E CB -0.023 29.656 29.700 -0.036 0.000 0.756 211 E HN 0.653 nan 8.360 nan 0.000 0.477 212 E N 0.489 120.657 120.200 -0.054 0.000 2.489 212 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 212 E C 0.360 176.957 176.600 -0.005 0.000 1.057 212 E CA -0.021 56.368 56.400 -0.018 0.000 0.866 212 E CB 0.072 29.768 29.700 -0.007 0.000 0.916 212 E HN -0.096 nan 8.360 nan 0.000 0.500 213 S N 1.802 117.488 115.700 -0.023 0.000 2.576 213 S HA 0.240 4.710 4.470 -0.000 0.000 0.276 213 S C 0.257 174.869 174.600 0.020 0.000 1.339 213 S CA -0.159 58.043 58.200 0.004 0.000 1.039 213 S CB 0.550 63.742 63.200 -0.012 0.000 0.902 213 S HN 0.226 nan 8.310 nan 0.000 0.516 214 E N 0.576 120.802 120.200 0.042 0.000 2.429 214 E HA 0.539 4.888 4.350 -0.000 0.000 0.280 214 E C -1.712 174.915 176.600 0.047 0.000 1.068 214 E CA -1.004 55.422 56.400 0.043 0.000 0.837 214 E CB 0.364 30.091 29.700 0.045 0.000 1.357 214 E HN 0.278 nan 8.360 nan 0.000 0.455 215 L N 1.035 122.279 121.223 0.036 0.000 2.257 215 L HA 0.500 4.840 4.340 -0.000 0.000 0.290 215 L C -1.273 175.612 176.870 0.025 0.000 1.044 215 L CA -0.671 54.181 54.840 0.021 0.000 0.810 215 L CB 1.409 43.475 42.059 0.012 0.000 1.193 215 L HN 0.538 nan 8.230 nan 0.000 0.425 216 V N 6.708 126.630 119.914 0.014 0.000 2.320 216 V HA 0.324 4.444 4.120 -0.000 0.000 0.265 216 V C 0.746 176.835 176.094 -0.008 0.000 1.048 216 V CA -0.484 61.831 62.300 0.025 0.000 0.865 216 V CB 0.373 32.206 31.823 0.017 0.000 1.043 216 V HN 0.635 nan 8.190 nan 0.000 0.474 217 R N 4.374 124.877 120.500 0.004 0.000 3.641 217 R HA 0.429 4.768 4.340 -0.000 0.000 0.189 217 R C 0.887 177.178 176.300 -0.016 0.000 1.706 217 R CA 0.425 56.520 56.100 -0.007 0.000 1.311 217 R CB -0.048 30.256 30.300 0.007 0.000 1.330 217 R HN 0.929 nan 8.270 nan 0.000 0.727 218 G N -0.656 108.121 108.800 -0.038 0.000 2.593 218 G HA2 0.200 4.160 3.960 -0.000 0.000 0.103 218 G HA3 0.200 4.160 3.960 -0.000 0.000 0.103 218 G C -1.470 173.374 174.900 -0.093 0.000 1.103 218 G CA -0.489 44.579 45.100 -0.054 0.000 1.109 218 G HN 0.123 nan 8.290 nan 0.000 0.516 219 V N -0.340 119.504 119.914 -0.116 0.000 2.971 219 V HA 0.703 4.823 4.120 -0.000 0.000 0.309 219 V C -0.794 175.161 176.094 -0.232 0.000 1.130 219 V CA -0.641 61.555 62.300 -0.174 0.000 0.964 219 V CB 2.069 33.775 31.823 -0.195 0.000 1.029 219 V HN 0.763 nan 8.190 nan 0.000 0.427 220 V N 4.780 124.513 119.914 -0.302 0.000 2.444 220 V HA 0.566 4.686 4.120 -0.000 0.000 0.294 220 V C -0.485 175.432 176.094 -0.296 0.000 1.022 220 V CA -0.335 61.694 62.300 -0.453 0.000 0.850 220 V CB 1.675 33.077 31.823 -0.701 0.000 0.992 220 V HN 0.648 nan 8.190 nan 0.000 0.426 221 I N 3.069 123.505 120.570 -0.222 0.000 2.474 221 I HA 0.389 4.559 4.170 -0.000 0.000 0.294 221 I C -0.377 175.704 176.117 -0.061 0.000 1.005 221 I CA -0.467 60.755 61.300 -0.129 0.000 1.113 221 I CB 2.136 40.069 38.000 -0.112 0.000 1.289 221 I HN 0.546 nan 8.210 nan 0.000 0.436 222 D N 6.605 126.982 120.400 -0.039 0.000 2.631 222 D HA 0.242 4.882 4.640 -0.000 0.000 0.227 222 D C -0.458 175.858 176.300 0.028 0.000 1.146 222 D CA 0.232 54.231 54.000 -0.001 0.000 1.009 222 D CB 0.267 41.064 40.800 -0.006 0.000 1.057 222 D HN 0.269 nan 8.370 nan 0.000 0.509 223 K N 0.939 121.373 120.400 0.055 0.000 2.466 223 K HA 0.470 4.790 4.320 -0.000 0.000 0.277 223 K C -0.506 176.146 176.600 0.086 0.000 1.039 223 K CA -0.848 55.482 56.287 0.072 0.000 0.904 223 K CB 2.098 34.655 32.500 0.095 0.000 1.506 223 K HN 0.204 nan 8.250 nan 0.000 0.441 224 E N -0.421 119.826 120.200 0.079 0.000 2.445 224 E HA 0.399 4.749 4.350 -0.000 0.000 0.273 224 E C -0.752 175.885 176.600 0.061 0.000 0.961 224 E CA -1.124 55.320 56.400 0.072 0.000 0.807 224 E CB 1.213 30.946 29.700 0.054 0.000 1.362 224 E HN 0.059 nan 8.360 nan 0.000 0.453 225 V N 1.922 121.865 119.914 0.048 0.000 2.485 225 V HA -0.090 4.030 4.120 -0.000 0.000 0.287 225 V C 1.357 177.477 176.094 0.044 0.000 1.022 225 V CA 0.197 62.517 62.300 0.033 0.000 1.067 225 V CB 1.011 32.851 31.823 0.028 0.000 0.967 225 V HN 0.698 nan 8.190 nan 0.000 0.479 226 V N 4.702 124.646 119.914 0.051 0.000 2.688 226 V HA -0.120 4.000 4.120 -0.000 0.000 0.256 226 V C 0.860 177.016 176.094 0.103 0.000 1.084 226 V CA 1.750 64.091 62.300 0.068 0.000 1.103 226 V CB -0.495 31.370 31.823 0.070 0.000 0.688 226 V HN 0.960 nan 8.190 nan 0.000 0.480 227 H N -1.313 117.759 119.070 0.003 0.000 2.679 227 H HA 0.353 4.909 4.556 -0.000 0.000 0.360 227 H C -2.130 173.197 175.328 -0.003 0.000 1.105 227 H CA -1.504 54.545 56.048 0.003 0.000 1.196 227 H CB 2.441 32.203 29.762 0.001 0.000 1.636 227 H HN -0.031 nan 8.280 nan 0.000 0.531 228 P HA -0.146 nan 4.420 nan 0.000 0.216 228 P C 1.212 178.571 177.300 0.098 0.000 1.154 228 P CA 1.254 64.332 63.100 -0.037 0.000 0.865 228 P CB 0.373 31.987 31.700 -0.143 0.000 0.789 229 R N -1.465 119.210 120.500 0.291 0.000 2.323 229 R HA 0.146 4.486 4.340 -0.000 0.000 0.198 229 R C 0.989 177.343 176.300 0.090 0.000 0.988 229 R CA 0.399 56.606 56.100 0.178 0.000 1.041 229 R CB -0.710 29.690 30.300 0.166 0.000 0.926 229 R HN 0.381 nan 8.270 nan 0.000 0.476 230 M N 1.241 120.907 119.600 0.110 0.000 2.255 230 M HA 0.224 4.704 4.480 -0.000 0.000 0.336 230 M C -2.074 174.240 176.300 0.025 0.000 1.135 230 M CA -1.796 53.526 55.300 0.037 0.000 1.145 230 M CB 0.296 32.918 32.600 0.036 0.000 1.473 230 M HN -0.321 nan 8.290 nan 0.000 0.462 231 P HA 0.022 nan 4.420 nan 0.000 0.268 231 P C -0.269 177.034 177.300 0.006 0.000 1.205 231 P CA 0.009 63.112 63.100 0.005 0.000 0.771 231 P CB 0.491 32.190 31.700 -0.001 0.000 0.858 232 K N 1.702 122.107 120.400 0.009 0.000 2.374 232 K HA 0.149 4.469 4.320 -0.000 0.000 0.196 232 K C 0.608 177.215 176.600 0.011 0.000 1.023 232 K CA 0.342 56.636 56.287 0.012 0.000 1.103 232 K CB 0.427 32.934 32.500 0.012 0.000 0.848 232 K HN 0.429 nan 8.250 nan 0.000 0.528 233 R N -0.200 120.304 120.500 0.006 0.000 2.594 233 R HA 0.381 4.721 4.340 -0.000 0.000 0.265 233 R C -1.834 174.469 176.300 0.005 0.000 1.070 233 R CA -0.412 55.692 56.100 0.006 0.000 0.909 233 R CB 1.727 32.027 30.300 0.001 0.000 1.243 233 R HN -0.201 nan 8.270 nan 0.000 0.455 234 V N 3.783 123.701 119.914 0.007 0.000 2.686 234 V HA 0.249 4.369 4.120 -0.000 0.000 0.306 234 V C 0.320 176.422 176.094 0.013 0.000 1.065 234 V CA -0.753 61.552 62.300 0.009 0.000 0.894 234 V CB 1.883 33.707 31.823 0.002 0.000 1.004 234 V HN 0.848 nan 8.190 nan 0.000 0.424 235 E N 2.328 122.543 120.200 0.025 0.000 1.999 235 E HA 0.028 4.378 4.350 -0.000 0.000 0.198 235 E C 0.229 176.864 176.600 0.058 0.000 0.960 235 E CA 0.745 57.168 56.400 0.038 0.000 0.870 235 E CB -0.023 29.705 29.700 0.047 0.000 0.827 235 E HN 0.608 nan 8.360 nan 0.000 0.511 236 N N 1.576 120.345 118.700 0.116 0.000 2.868 236 N HA 0.271 5.010 4.740 -0.000 0.000 0.252 236 N C -0.729 174.901 175.510 0.200 0.000 1.130 236 N CA 0.014 53.215 53.050 0.252 0.000 1.026 236 N CB 0.841 39.514 38.487 0.311 0.000 1.335 236 N HN 0.131 nan 8.380 nan 0.000 0.516 237 A N 2.140 125.003 122.820 0.073 0.000 2.440 237 A HA 0.175 4.495 4.320 -0.000 0.000 0.251 237 A C 0.356 178.011 177.584 0.118 0.000 1.089 237 A CA -0.080 51.988 52.037 0.051 0.000 0.779 237 A CB 0.456 19.449 19.000 -0.011 0.000 1.022 237 A HN 0.407 nan 8.150 nan 0.000 0.492 238 K N 2.772 123.236 120.400 0.105 0.000 2.414 238 K HA 0.393 4.712 4.320 -0.000 0.000 0.251 238 K C -1.288 175.355 176.600 0.073 0.000 1.037 238 K CA -0.103 56.254 56.287 0.116 0.000 0.980 238 K CB 0.899 33.452 32.500 0.089 0.000 1.280 238 K HN 0.601 nan 8.250 nan 0.000 0.451 239 I N 2.180 122.802 120.570 0.088 0.000 2.474 239 I HA 0.180 4.349 4.170 -0.000 0.000 0.287 239 I C 0.290 176.464 176.117 0.095 0.000 1.048 239 I CA -0.077 61.281 61.300 0.097 0.000 1.383 239 I CB 1.420 39.531 38.000 0.184 0.000 1.412 239 I HN 0.497 nan 8.210 nan 0.000 0.531 240 A N 6.848 129.715 122.820 0.077 0.000 2.287 240 A HA 0.750 5.070 4.320 -0.000 0.000 0.317 240 A C -0.998 176.652 177.584 0.110 0.000 1.220 240 A CA -0.502 51.575 52.037 0.067 0.000 0.835 240 A CB 0.519 19.532 19.000 0.023 0.000 1.180 240 A HN 0.490 nan 8.150 nan 0.000 0.500 241 L N 4.439 125.724 121.223 0.103 0.000 2.272 241 L HA 0.366 4.706 4.340 -0.000 0.000 0.284 241 L C -0.505 176.406 176.870 0.068 0.000 1.045 241 L CA -0.085 54.822 54.840 0.113 0.000 0.842 241 L CB 0.684 42.791 42.059 0.079 0.000 1.224 241 L HN 0.496 nan 8.230 nan 0.000 0.430 242 I N 3.335 123.948 120.570 0.071 0.000 2.328 242 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 242 I C 0.538 176.680 176.117 0.042 0.000 1.012 242 I CA -0.292 61.034 61.300 0.042 0.000 1.195 242 I CB 1.243 39.262 38.000 0.032 0.000 1.350 242 I HN 0.449 nan 8.210 nan 0.000 0.464 243 N N 6.529 125.245 118.700 0.027 0.000 3.271 243 N HA 0.139 4.879 4.740 -0.000 0.000 0.303 243 N C -0.426 175.094 175.510 0.016 0.000 1.415 243 N CA 0.107 53.171 53.050 0.023 0.000 1.159 243 N CB 0.330 38.826 38.487 0.015 0.000 1.432 243 N HN 0.700 nan 8.380 nan 0.000 0.521 244 E N -0.206 120.006 120.200 0.019 0.000 2.366 244 E HA 0.539 4.888 4.350 -0.000 0.000 0.278 244 E C -1.395 175.218 176.600 0.022 0.000 0.923 244 E CA -0.940 55.468 56.400 0.015 0.000 0.761 244 E CB 1.467 31.171 29.700 0.006 0.000 1.231 244 E HN 0.260 nan 8.360 nan 0.000 0.443 245 A N 4.008 126.840 122.820 0.021 0.000 2.444 245 A HA 0.215 4.534 4.320 -0.000 0.000 0.287 245 A C -0.131 177.471 177.584 0.030 0.000 1.195 245 A CA -0.228 51.825 52.037 0.026 0.000 0.858 245 A CB -0.224 18.790 19.000 0.024 0.000 1.117 245 A HN 0.491 nan 8.150 nan 0.000 0.521 246 L N 3.821 125.066 121.223 0.037 0.000 2.544 246 L HA 0.141 4.481 4.340 -0.000 0.000 0.240 246 L C 0.684 177.586 176.870 0.053 0.000 1.421 246 L CA 0.836 55.703 54.840 0.044 0.000 1.206 246 L CB -1.268 40.820 42.059 0.048 0.000 1.463 246 L HN 0.825 nan 8.230 nan 0.000 0.437 247 E N -1.527 118.701 120.200 0.047 0.000 2.449 247 E HA 0.356 4.705 4.350 -0.000 0.000 0.278 247 E C -0.788 175.840 176.600 0.046 0.000 0.992 247 E CA -1.194 55.235 56.400 0.050 0.000 0.807 247 E CB 1.334 31.060 29.700 0.042 0.000 1.350 247 E HN -0.237 nan 8.360 nan 0.000 0.462 248 V N 2.563 122.506 119.914 0.048 0.000 2.484 248 V HA -0.082 4.038 4.120 -0.000 0.000 0.276 248 V C 0.592 176.706 176.094 0.034 0.000 0.976 248 V CA 0.696 63.023 62.300 0.044 0.000 1.141 248 V CB -1.288 30.562 31.823 0.045 0.000 0.975 248 V HN 0.482 nan 8.190 nan 0.000 0.466 249 K N 4.760 125.179 120.400 0.032 0.000 2.397 249 K HA 0.303 4.622 4.320 -0.000 0.000 0.265 249 K C -0.161 176.451 176.600 0.021 0.000 0.982 249 K CA -0.024 56.277 56.287 0.024 0.000 0.931 249 K CB 0.614 33.128 32.500 0.022 0.000 0.943 249 K HN 0.571 nan 8.250 nan 0.000 0.501 250 K N 0.276 120.685 120.400 0.015 0.000 2.482 250 K HA 0.205 4.524 4.320 -0.000 0.000 0.257 250 K C -0.758 175.847 176.600 0.009 0.000 0.969 250 K CA -0.775 55.518 56.287 0.010 0.000 0.842 250 K CB 1.935 34.438 32.500 0.005 0.000 1.359 250 K HN 0.675 nan 8.250 nan 0.000 0.441 251 T N -1.385 113.173 114.554 0.007 0.000 2.904 251 T HA 0.127 4.477 4.350 -0.000 0.000 0.290 251 T C 0.933 175.635 174.700 0.004 0.000 1.018 251 T CA -0.446 61.658 62.100 0.006 0.000 1.075 251 T CB 1.237 70.109 68.868 0.007 0.000 0.986 251 T HN 0.559 nan 8.240 nan 0.000 0.523 252 E N 1.197 121.399 120.200 0.004 0.000 2.106 252 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 252 E C 0.687 177.288 176.600 0.001 0.000 0.984 252 E CA 0.864 57.266 56.400 0.002 0.000 0.806 252 E CB -0.408 29.294 29.700 0.002 0.000 0.750 252 E HN 0.806 nan 8.360 nan 0.000 0.458 253 T N 1.635 116.190 114.554 0.002 0.000 2.916 253 T HA -0.011 4.339 4.350 -0.000 0.000 0.303 253 T C -0.176 174.524 174.700 -0.001 0.000 1.025 253 T CA -0.342 61.759 62.100 0.001 0.000 1.142 253 T CB 0.608 69.477 68.868 0.002 0.000 0.947 253 T HN 0.026 nan 8.240 nan 0.000 0.544 254 D N 1.856 122.254 120.400 -0.003 0.000 2.487 254 D HA 0.329 4.969 4.640 -0.000 0.000 0.243 254 D C -0.416 175.880 176.300 -0.008 0.000 1.154 254 D CA 0.290 54.286 54.000 -0.006 0.000 0.876 254 D CB 0.185 40.981 40.800 -0.006 0.000 1.161 254 D HN 0.706 nan 8.370 nan 0.000 0.478 255 A N 3.826 126.639 122.820 -0.013 0.000 2.486 255 A HA 0.643 4.962 4.320 -0.000 0.000 0.300 255 A C -0.852 176.712 177.584 -0.033 0.000 1.048 255 A CA -0.852 51.174 52.037 -0.018 0.000 0.696 255 A CB 1.584 20.577 19.000 -0.013 0.000 1.278 255 A HN 0.494 nan 8.150 nan 0.000 0.405 256 K N 2.340 122.714 120.400 -0.044 0.000 2.501 256 K HA 0.628 4.948 4.320 -0.000 0.000 0.252 256 K C -1.458 175.082 176.600 -0.100 0.000 0.934 256 K CA -0.600 55.646 56.287 -0.068 0.000 0.797 256 K CB 1.468 33.936 32.500 -0.052 0.000 1.270 256 K HN 0.700 nan 8.250 nan 0.000 0.431 257 I N 3.291 123.757 120.570 -0.173 0.000 2.474 257 I HA 0.125 4.294 4.170 -0.000 0.000 0.287 257 I C -0.213 175.786 176.117 -0.197 0.000 1.048 257 I CA -0.546 60.583 61.300 -0.286 0.000 1.383 257 I CB 0.816 38.458 38.000 -0.597 0.000 1.412 257 I HN 0.439 nan 8.210 nan 0.000 0.531 258 N N 7.339 125.963 118.700 -0.126 0.000 2.696 258 N HA 0.310 5.049 4.740 -0.000 0.000 0.246 258 N C -0.727 174.790 175.510 0.012 0.000 1.057 258 N CA -0.588 52.434 53.050 -0.047 0.000 0.867 258 N CB 1.281 39.761 38.487 -0.011 0.000 1.141 258 N HN 0.347 nan 8.380 nan 0.000 0.517 259 I N 1.540 122.116 120.570 0.010 0.000 2.662 259 I HA -0.074 4.096 4.170 -0.000 0.000 0.285 259 I C 1.942 178.103 176.117 0.073 0.000 1.161 259 I CA 0.652 62.010 61.300 0.096 0.000 1.415 259 I CB 0.314 38.363 38.000 0.081 0.000 1.385 259 I HN 0.480 nan 8.210 nan 0.000 0.552 260 T N 0.069 114.677 114.554 0.090 0.000 2.971 260 T HA 0.257 4.607 4.350 -0.000 0.000 0.252 260 T C 0.468 175.197 174.700 0.048 0.000 1.022 260 T CA 0.329 62.463 62.100 0.058 0.000 0.980 260 T CB 0.060 68.960 68.868 0.053 0.000 1.044 260 T HN 0.578 nan 8.240 nan 0.000 0.501 261 S N 0.305 116.039 115.700 0.057 0.000 2.546 261 S HA 0.592 5.062 4.470 -0.000 0.000 0.274 261 S C -2.680 171.946 174.600 0.044 0.000 1.121 261 S CA -1.273 56.950 58.200 0.039 0.000 0.887 261 S CB 1.980 65.196 63.200 0.027 0.000 1.094 261 S HN -0.179 nan 8.310 nan 0.000 0.474 262 P HA -0.240 nan 4.420 nan 0.000 0.219 262 P C 1.022 178.340 177.300 0.030 0.000 1.158 262 P CA 2.003 65.121 63.100 0.030 0.000 0.895 262 P CB -0.157 31.554 31.700 0.019 0.000 0.792 263 D N -1.068 119.342 120.400 0.018 0.000 2.350 263 D HA -0.173 4.467 4.640 -0.000 0.000 0.216 263 D C 1.478 177.778 176.300 0.000 0.000 0.968 263 D CA 0.715 54.717 54.000 0.004 0.000 0.894 263 D CB -0.500 40.293 40.800 -0.012 0.000 0.909 263 D HN 0.345 nan 8.370 nan 0.000 0.520 264 Q N 0.631 120.451 119.800 0.033 0.000 2.079 264 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 264 Q C 2.769 178.871 176.000 0.171 0.000 0.974 264 Q CA 0.563 56.403 55.803 0.062 0.000 0.840 264 Q CB -0.146 28.719 28.738 0.210 0.000 0.898 264 Q HN 0.418 nan 8.270 nan 0.000 0.430 265 L N 0.056 121.370 121.223 0.153 0.000 2.051 265 L HA -0.243 4.096 4.340 -0.000 0.000 0.214 265 L C 2.521 179.462 176.870 0.119 0.000 1.076 265 L CA 1.077 56.003 54.840 0.145 0.000 0.758 265 L CB -0.565 41.543 42.059 0.082 0.000 0.890 265 L HN 0.300 nan 8.230 nan 0.000 0.433 266 M N -0.338 119.300 119.600 0.064 0.000 2.236 266 M HA -0.087 4.393 4.480 -0.000 0.000 0.266 266 M C 2.719 179.031 176.300 0.020 0.000 1.070 266 M CA 1.849 57.172 55.300 0.038 0.000 1.137 266 M CB -0.992 31.616 32.600 0.015 0.000 1.378 266 M HN 0.393 nan 8.290 nan 0.000 0.426 267 S N 0.079 115.756 115.700 -0.038 0.000 2.368 267 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 267 S C 2.001 176.529 174.600 -0.120 0.000 1.030 267 S CA 1.085 59.208 58.200 -0.130 0.000 0.999 267 S CB -1.180 61.861 63.200 -0.265 0.000 0.844 267 S HN 0.375 nan 8.310 nan 0.000 0.459 268 F N 1.288 121.244 119.950 0.011 0.000 2.134 268 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 268 F C 2.166 177.976 175.800 0.017 0.000 1.097 268 F CA 0.578 58.586 58.000 0.013 0.000 1.264 268 F CB -0.407 38.599 39.000 0.011 0.000 1.001 268 F HN 0.160 nan 8.300 nan 0.000 0.479 269 L N 0.194 121.535 121.223 0.197 0.000 2.046 269 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 269 L C 2.166 179.092 176.870 0.094 0.000 1.077 269 L CA 1.777 56.691 54.840 0.123 0.000 0.747 269 L CB -0.845 41.266 42.059 0.086 0.000 0.896 269 L HN 0.160 nan 8.230 nan 0.000 0.432 270 E N -1.362 118.879 120.200 0.069 0.000 2.208 270 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 270 E C 2.018 178.650 176.600 0.054 0.000 0.988 270 E CA 0.565 56.998 56.400 0.055 0.000 0.828 270 E CB -0.140 29.576 29.700 0.027 0.000 0.763 270 E HN 0.362 nan 8.360 nan 0.000 0.478 271 Q N 1.800 121.634 119.800 0.056 0.000 2.084 271 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 271 Q C 1.638 177.684 176.000 0.077 0.000 0.978 271 Q CA 1.728 57.565 55.803 0.056 0.000 0.844 271 Q CB 0.032 28.818 28.738 0.080 0.000 0.898 271 Q HN 0.352 nan 8.270 nan 0.000 0.426 272 E N -0.088 120.172 120.200 0.101 0.000 2.072 272 E HA -0.151 4.198 4.350 -0.000 0.000 0.190 272 E C 1.991 178.648 176.600 0.096 0.000 0.982 272 E CA 0.969 57.425 56.400 0.093 0.000 0.803 272 E CB -0.101 29.656 29.700 0.094 0.000 0.755 272 E HN 0.515 nan 8.360 nan 0.000 0.453 273 E N 1.372 121.638 120.200 0.109 0.000 2.070 273 E HA -0.245 4.104 4.350 -0.000 0.000 0.197 273 E C 2.099 178.769 176.600 0.117 0.000 1.004 273 E CA 1.033 57.531 56.400 0.163 0.000 0.805 273 E CB -0.127 29.680 29.700 0.177 0.000 0.744 273 E HN 0.118 nan 8.360 nan 0.000 0.451 274 K N 0.776 121.211 120.400 0.058 0.000 1.987 274 K HA -0.206 4.114 4.320 -0.000 0.000 0.216 274 K C 2.298 178.894 176.600 -0.007 0.000 1.051 274 K CA 1.741 58.027 56.287 -0.002 0.000 0.942 274 K CB -0.160 32.342 32.500 0.003 0.000 0.722 274 K HN 0.063 nan 8.250 nan 0.000 0.444 275 M N 0.470 120.087 119.600 0.028 0.000 2.113 275 M HA -0.281 4.199 4.480 -0.000 0.000 0.255 275 M C 2.281 178.603 176.300 0.036 0.000 1.073 275 M CA 1.586 56.906 55.300 0.034 0.000 1.091 275 M CB -0.508 32.123 32.600 0.050 0.000 1.309 275 M HN 0.147 nan 8.290 nan 0.000 0.407 276 L N 0.314 121.575 121.223 0.063 0.000 1.989 276 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 276 L C 2.431 179.328 176.870 0.044 0.000 1.071 276 L CA 1.940 56.837 54.840 0.094 0.000 0.749 276 L CB -0.915 41.247 42.059 0.171 0.000 0.890 276 L HN 0.274 nan 8.230 nan 0.000 0.431 277 K N -0.794 119.558 120.400 -0.080 0.000 2.211 277 K HA -0.195 4.124 4.320 -0.000 0.000 0.204 277 K C 1.569 178.036 176.600 -0.221 0.000 1.047 277 K CA 1.464 57.502 56.287 -0.414 0.000 0.935 277 K CB -0.029 31.928 32.500 -0.904 0.000 0.728 277 K HN 0.364 nan 8.250 nan 0.000 0.452 278 D N 0.447 120.780 120.400 -0.113 0.000 2.123 278 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 278 D C 1.949 178.244 176.300 -0.009 0.000 0.976 278 D CA 1.189 55.144 54.000 -0.075 0.000 0.831 278 D CB -0.036 40.749 40.800 -0.025 0.000 0.974 278 D HN 0.329 nan 8.370 nan 0.000 0.469 279 M N 0.383 120.006 119.600 0.038 0.000 2.067 279 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 279 M C 2.430 178.753 176.300 0.037 0.000 1.069 279 M CA 0.966 56.315 55.300 0.081 0.000 1.117 279 M CB -0.344 32.290 32.600 0.056 0.000 1.334 279 M HN -0.137 nan 8.290 nan 0.000 0.407 280 V N 0.675 120.584 119.914 -0.009 0.000 2.469 280 V HA -0.280 3.840 4.120 -0.000 0.000 0.251 280 V C 1.769 177.742 176.094 -0.201 0.000 1.064 280 V CA 1.805 64.065 62.300 -0.067 0.000 1.066 280 V CB -0.863 30.962 31.823 0.004 0.000 0.667 280 V HN 0.407 nan 8.190 nan 0.000 0.461 281 D N -1.139 119.146 120.400 -0.193 0.000 2.097 281 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 281 D C 2.154 178.331 176.300 -0.204 0.000 0.984 281 D CA 1.170 55.015 54.000 -0.259 0.000 0.826 281 D CB -0.365 40.307 40.800 -0.215 0.000 0.973 281 D HN 0.455 nan 8.370 nan 0.000 0.460 282 H N 0.140 119.140 119.070 -0.116 0.000 2.457 282 H HA -0.042 4.514 4.556 -0.000 0.000 0.297 282 H C 2.222 177.494 175.328 -0.093 0.000 1.092 282 H CA 0.716 56.714 56.048 -0.084 0.000 1.309 282 H CB 0.075 29.802 29.762 -0.057 0.000 1.382 282 H HN 0.257 nan 8.280 nan 0.000 0.535 283 I N -0.385 120.184 120.570 -0.001 0.000 2.480 283 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 283 I C 2.675 178.724 176.117 -0.114 0.000 1.124 283 I CA 0.669 61.939 61.300 -0.049 0.000 1.444 283 I CB -0.126 37.838 38.000 -0.060 0.000 1.098 283 I HN 0.089 nan 8.210 nan 0.000 0.428 284 A N 0.397 123.075 122.820 -0.236 0.000 1.929 284 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 284 A C 2.217 179.714 177.584 -0.146 0.000 1.176 284 A CA 1.198 53.060 52.037 -0.292 0.000 0.628 284 A CB -0.489 18.085 19.000 -0.710 0.000 0.816 284 A HN 0.421 nan 8.150 nan 0.000 0.444 285 Q N -0.348 119.381 119.800 -0.118 0.000 2.226 285 Q HA -0.136 4.203 4.340 -0.000 0.000 0.204 285 Q C 2.042 178.029 176.000 -0.022 0.000 0.975 285 Q CA 1.784 57.553 55.803 -0.056 0.000 0.866 285 Q CB -0.455 28.251 28.738 -0.053 0.000 0.915 285 Q HN 0.880 nan 8.270 nan 0.000 0.440 286 T N -3.541 111.003 114.554 -0.016 0.000 3.113 286 T HA 0.132 4.482 4.350 -0.000 0.000 0.263 286 T C 1.358 176.058 174.700 0.000 0.000 1.143 286 T CA 0.604 62.704 62.100 0.000 0.000 1.090 286 T CB 0.197 69.069 68.868 0.007 0.000 0.922 286 T HN 0.446 nan 8.240 nan 0.000 0.521 287 G N 0.938 109.732 108.800 -0.010 0.000 2.132 287 G HA2 0.016 3.976 3.960 -0.000 0.000 0.234 287 G HA3 0.016 3.976 3.960 -0.000 0.000 0.234 287 G C 0.165 175.069 174.900 0.006 0.000 0.989 287 G CA -0.196 44.905 45.100 0.002 0.000 0.676 287 G HN 1.173 nan 8.290 nan 0.000 0.522 288 A N 0.277 123.093 122.820 -0.008 0.000 2.409 288 A HA 0.608 4.928 4.320 -0.000 0.000 0.267 288 A C 1.027 178.602 177.584 -0.015 0.000 1.127 288 A CA 0.547 52.581 52.037 -0.005 0.000 0.795 288 A CB 0.222 19.213 19.000 -0.014 0.000 1.061 288 A HN 0.973 nan 8.150 nan 0.000 0.502 289 N N 1.045 119.743 118.700 -0.004 0.000 2.187 289 N HA 0.231 4.971 4.740 -0.000 0.000 0.212 289 N C -0.748 174.737 175.510 -0.041 0.000 1.152 289 N CA -0.036 53.008 53.050 -0.009 0.000 0.872 289 N CB 0.690 39.184 38.487 0.012 0.000 1.025 289 N HN 0.208 nan 8.380 nan 0.000 0.514 290 V N 0.529 120.403 119.914 -0.067 0.000 2.697 290 V HA 0.405 4.525 4.120 -0.000 0.000 0.300 290 V C -1.207 174.768 176.094 -0.197 0.000 1.115 290 V CA -0.862 61.343 62.300 -0.157 0.000 0.912 290 V CB 2.305 34.045 31.823 -0.138 0.000 1.024 290 V HN -0.095 nan 8.190 nan 0.000 0.431 291 V N 5.036 124.774 119.914 -0.293 0.000 2.531 291 V HA 0.562 4.682 4.120 -0.000 0.000 0.301 291 V C -0.938 174.956 176.094 -0.333 0.000 1.034 291 V CA -0.540 61.631 62.300 -0.215 0.000 0.865 291 V CB 1.905 33.667 31.823 -0.102 0.000 0.995 291 V HN 0.692 nan 8.190 nan 0.000 0.424 292 F N 3.559 123.513 119.950 0.006 0.000 2.361 292 F HA 0.573 5.099 4.527 -0.000 0.000 0.364 292 F C 0.117 175.920 175.800 0.006 0.000 1.117 292 F CA -0.745 57.259 58.000 0.006 0.000 1.071 292 F CB 1.791 40.790 39.000 -0.001 0.000 1.188 292 F HN 0.217 nan 8.300 nan 0.000 0.464 293 V N 4.346 124.355 119.914 0.158 0.000 2.394 293 V HA 0.145 4.264 4.120 -0.000 0.000 0.282 293 V C 0.765 176.916 176.094 0.096 0.000 1.031 293 V CA -0.470 61.890 62.300 0.100 0.000 0.881 293 V CB 1.542 33.401 31.823 0.061 0.000 0.982 293 V HN 0.845 nan 8.190 nan 0.000 0.451 294 Q N 3.539 123.382 119.800 0.071 0.000 2.123 294 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 294 Q C 1.097 177.122 176.000 0.041 0.000 0.966 294 Q CA 1.153 56.986 55.803 0.050 0.000 0.845 294 Q CB 0.300 29.057 28.738 0.033 0.000 0.907 294 Q HN 0.639 nan 8.270 nan 0.000 0.439 295 K N -0.371 120.052 120.400 0.039 0.000 2.762 295 K HA 0.351 4.671 4.320 -0.000 0.000 0.292 295 K C 0.380 177.003 176.600 0.038 0.000 1.008 295 K CA 0.056 56.363 56.287 0.033 0.000 1.142 295 K CB -0.675 31.842 32.500 0.027 0.000 1.490 295 K HN 0.166 nan 8.250 nan 0.000 0.581 296 G N 0.088 108.909 108.800 0.035 0.000 2.616 296 G HA2 0.527 4.487 3.960 -0.000 0.000 0.268 296 G HA3 0.527 4.487 3.960 -0.000 0.000 0.268 296 G C -0.487 174.439 174.900 0.044 0.000 1.213 296 G CA -0.553 44.571 45.100 0.039 0.000 0.926 296 G HN 0.327 nan 8.290 nan 0.000 0.523 297 I N 0.469 121.068 120.570 0.049 0.000 2.531 297 I HA 0.115 4.285 4.170 -0.000 0.000 0.283 297 I C -0.829 175.326 176.117 0.064 0.000 1.083 297 I CA -0.634 60.700 61.300 0.057 0.000 1.071 297 I CB 1.946 39.981 38.000 0.058 0.000 1.210 297 I HN 0.416 nan 8.210 nan 0.000 0.450 298 D N 3.955 124.396 120.400 0.067 0.000 2.370 298 D HA -0.072 4.568 4.640 -0.000 0.000 0.235 298 D C 1.058 177.409 176.300 0.084 0.000 1.228 298 D CA 0.673 54.715 54.000 0.071 0.000 0.884 298 D CB 0.975 41.821 40.800 0.076 0.000 1.201 298 D HN 0.454 nan 8.370 nan 0.000 0.456 299 D N 0.793 121.239 120.400 0.077 0.000 2.144 299 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 299 D C 2.109 178.466 176.300 0.095 0.000 0.978 299 D CA 0.704 54.760 54.000 0.094 0.000 0.833 299 D CB 0.089 40.929 40.800 0.067 0.000 0.961 299 D HN 0.351 nan 8.370 nan 0.000 0.470 300 L N 0.933 122.196 121.223 0.066 0.000 2.027 300 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 300 L C 2.621 179.559 176.870 0.113 0.000 1.074 300 L CA 0.941 55.799 54.840 0.030 0.000 0.745 300 L CB -0.300 41.800 42.059 0.068 0.000 0.898 300 L HN -0.040 nan 8.230 nan 0.000 0.433 301 A N -0.695 122.234 122.820 0.181 0.000 1.978 301 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 301 A C 2.135 179.809 177.584 0.150 0.000 1.170 301 A CA 1.608 53.778 52.037 0.223 0.000 0.636 301 A CB -0.433 18.657 19.000 0.149 0.000 0.810 301 A HN 0.519 nan 8.150 nan 0.000 0.448 302 Q N -1.649 118.209 119.800 0.096 0.000 2.167 302 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 302 Q C 2.117 178.016 176.000 -0.169 0.000 0.970 302 Q CA 1.228 57.051 55.803 0.034 0.000 0.855 302 Q CB -0.281 28.554 28.738 0.162 0.000 0.911 302 Q HN 0.902 nan 8.270 nan 0.000 0.438 303 H N -0.215 118.717 119.070 -0.229 0.000 2.299 303 H HA -0.152 4.404 4.556 -0.000 0.000 0.302 303 H C 1.531 176.685 175.328 -0.289 0.000 1.078 303 H CA 1.662 57.482 56.048 -0.381 0.000 1.323 303 H CB 0.001 29.536 29.762 -0.378 0.000 1.381 303 H HN 0.251 nan 8.280 nan 0.000 0.498 304 Y N 0.898 121.229 120.300 0.051 0.000 2.145 304 Y HA -0.175 4.374 4.550 -0.000 0.000 0.286 304 Y C 3.106 179.106 175.900 0.167 0.000 1.145 304 Y CA 0.921 59.085 58.100 0.107 0.000 1.148 304 Y CB -0.803 37.809 38.460 0.253 0.000 0.981 304 Y HN 0.123 nan 8.280 nan 0.000 0.507 305 L N -0.808 120.555 121.223 0.233 0.000 2.081 305 L HA -0.314 4.026 4.340 -0.000 0.000 0.212 305 L C 2.560 179.461 176.870 0.052 0.000 1.080 305 L CA 1.271 56.193 54.840 0.136 0.000 0.754 305 L CB -0.641 41.439 42.059 0.035 0.000 0.893 305 L HN 0.291 nan 8.230 nan 0.000 0.433 306 A N -0.400 122.336 122.820 -0.140 0.000 1.897 306 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 306 A C 2.272 179.753 177.584 -0.172 0.000 1.181 306 A CA 1.397 53.299 52.037 -0.226 0.000 0.620 306 A CB -0.260 18.418 19.000 -0.536 0.000 0.821 306 A HN 0.301 nan 8.150 nan 0.000 0.443 307 K N -1.126 119.129 120.400 -0.242 0.000 2.063 307 K HA -0.165 4.154 4.320 -0.000 0.000 0.208 307 K C 1.332 177.822 176.600 -0.184 0.000 1.048 307 K CA 1.786 57.916 56.287 -0.263 0.000 0.928 307 K CB -0.397 31.883 32.500 -0.368 0.000 0.713 307 K HN 0.641 nan 8.250 nan 0.000 0.442 308 Y N 0.424 120.688 120.300 -0.059 0.000 2.619 308 Y HA 0.044 4.594 4.550 -0.000 0.000 0.308 308 Y C 1.350 177.227 175.900 -0.039 0.000 1.192 308 Y CA 0.537 58.617 58.100 -0.034 0.000 1.319 308 Y CB -0.323 38.126 38.460 -0.019 0.000 1.030 308 Y HN 0.250 nan 8.280 nan 0.000 0.517 309 G N 0.989 109.828 108.800 0.065 0.000 2.225 309 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.267 309 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.267 309 G C 0.025 174.944 174.900 0.032 0.000 1.024 309 G CA 0.165 45.283 45.100 0.029 0.000 0.784 309 G HN 0.405 nan 8.290 nan 0.000 0.507 310 I N 0.005 120.598 120.570 0.038 0.000 2.428 310 I HA 0.443 4.613 4.170 -0.000 0.000 0.296 310 I C 0.763 176.861 176.117 -0.031 0.000 0.985 310 I CA -0.684 60.616 61.300 -0.000 0.000 1.260 310 I CB 1.665 39.660 38.000 -0.008 0.000 1.389 310 I HN 0.227 nan 8.210 nan 0.000 0.484 311 M N 6.245 125.806 119.600 -0.065 0.000 2.113 311 M HA 0.642 5.122 4.480 -0.000 0.000 0.352 311 M C -0.948 175.256 176.300 -0.159 0.000 1.170 311 M CA -0.246 55.000 55.300 -0.090 0.000 1.053 311 M CB 0.957 33.499 32.600 -0.097 0.000 1.601 311 M HN 0.725 nan 8.290 nan 0.000 0.459 312 A N 4.768 127.515 122.820 -0.121 0.000 2.401 312 A HA 0.858 5.178 4.320 -0.000 0.000 0.310 312 A C -1.497 176.023 177.584 -0.105 0.000 1.075 312 A CA -0.646 51.303 52.037 -0.146 0.000 0.746 312 A CB 1.845 20.803 19.000 -0.069 0.000 1.277 312 A HN 0.641 nan 8.150 nan 0.000 0.425 313 V N 2.063 121.908 119.914 -0.115 0.000 2.709 313 V HA 0.627 4.747 4.120 -0.000 0.000 0.308 313 V C 0.012 176.145 176.094 0.064 0.000 1.062 313 V CA -0.747 61.557 62.300 0.007 0.000 0.901 313 V CB 1.815 33.692 31.823 0.090 0.000 1.003 313 V HN 1.162 nan 8.190 nan 0.000 0.425 314 R N 2.389 122.933 120.500 0.073 0.000 2.893 314 R HA 0.840 5.180 4.340 -0.000 0.000 0.245 314 R C -0.363 175.984 176.300 0.078 0.000 1.192 314 R CA -1.036 55.108 56.100 0.073 0.000 1.077 314 R CB 0.591 30.925 30.300 0.057 0.000 1.253 314 R HN 0.353 nan 8.270 nan 0.000 0.505 315 R N -0.598 119.939 120.500 0.063 0.000 3.251 315 R HA -0.117 4.223 4.340 -0.000 0.000 0.249 315 R C -0.973 175.360 176.300 0.055 0.000 0.949 315 R CA 0.669 56.799 56.100 0.051 0.000 0.645 315 R CB -1.970 28.355 30.300 0.041 0.000 1.065 315 R HN 0.416 nan 8.270 nan 0.000 0.452 316 V N 1.132 121.087 119.914 0.068 0.000 2.546 316 V HA 0.120 4.239 4.120 -0.000 0.000 0.284 316 V C 1.135 177.238 176.094 0.015 0.000 1.050 316 V CA -0.526 61.807 62.300 0.054 0.000 0.981 316 V CB 1.552 33.426 31.823 0.085 0.000 0.990 316 V HN 0.248 nan 8.190 nan 0.000 0.474 317 K N 3.407 123.803 120.400 -0.007 0.000 2.484 317 K HA -0.012 4.308 4.320 -0.000 0.000 0.280 317 K C 1.302 177.886 176.600 -0.027 0.000 1.013 317 K CA 0.092 56.369 56.287 -0.017 0.000 1.029 317 K CB 0.517 33.002 32.500 -0.026 0.000 0.902 317 K HN 0.613 nan 8.250 nan 0.000 0.481 318 K N 2.064 122.454 120.400 -0.017 0.000 2.089 318 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 318 K C 1.734 178.314 176.600 -0.034 0.000 1.048 318 K CA 2.312 58.587 56.287 -0.020 0.000 0.926 318 K CB -0.046 32.446 32.500 -0.013 0.000 0.714 318 K HN 0.683 nan 8.250 nan 0.000 0.448 319 S N 0.094 115.772 115.700 -0.037 0.000 2.447 319 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 319 S C 1.452 176.010 174.600 -0.070 0.000 1.006 319 S CA 1.279 59.451 58.200 -0.046 0.000 0.957 319 S CB -0.113 63.065 63.200 -0.038 0.000 0.773 319 S HN 0.313 nan 8.310 nan 0.000 0.507 320 D N 1.192 121.543 120.400 -0.082 0.000 2.137 320 D HA 0.092 4.732 4.640 -0.000 0.000 0.202 320 D C 2.039 178.245 176.300 -0.156 0.000 0.970 320 D CA 0.810 54.732 54.000 -0.129 0.000 0.837 320 D CB -0.201 40.518 40.800 -0.135 0.000 0.981 320 D HN 0.257 nan 8.370 nan 0.000 0.475 321 M N 0.785 120.317 119.600 -0.113 0.000 2.082 321 M HA -0.156 4.324 4.480 -0.000 0.000 0.258 321 M C 1.976 178.222 176.300 -0.091 0.000 1.069 321 M CA 1.444 56.684 55.300 -0.099 0.000 1.102 321 M CB -1.052 31.522 32.600 -0.043 0.000 1.336 321 M HN 0.092 nan 8.290 nan 0.000 0.404 322 E N -0.089 120.068 120.200 -0.071 0.000 2.110 322 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 322 E C 2.022 178.578 176.600 -0.074 0.000 0.988 322 E CA 1.058 57.422 56.400 -0.059 0.000 0.804 322 E CB -0.102 29.570 29.700 -0.047 0.000 0.745 322 E HN 0.519 nan 8.360 nan 0.000 0.458 323 K N 0.342 120.683 120.400 -0.098 0.000 2.217 323 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 323 K C 2.073 178.599 176.600 -0.124 0.000 1.051 323 K CA 0.623 56.845 56.287 -0.109 0.000 0.952 323 K CB 0.059 32.483 32.500 -0.127 0.000 0.736 323 K HN 0.112 nan 8.250 nan 0.000 0.453 324 L N 0.312 121.440 121.223 -0.158 0.000 2.072 324 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 324 L C 2.552 179.369 176.870 -0.089 0.000 1.079 324 L CA 0.857 55.592 54.840 -0.175 0.000 0.752 324 L CB -0.480 41.402 42.059 -0.296 0.000 0.906 324 L HN 0.158 nan 8.230 nan 0.000 0.436 325 A N 0.253 123.032 122.820 -0.067 0.000 1.865 325 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 325 A C 2.307 179.875 177.584 -0.026 0.000 1.191 325 A CA 1.754 53.773 52.037 -0.030 0.000 0.623 325 A CB -0.388 18.596 19.000 -0.026 0.000 0.826 325 A HN 0.282 nan 8.150 nan 0.000 0.444 326 K N -0.712 119.665 120.400 -0.039 0.000 2.211 326 K HA 0.034 4.354 4.320 -0.000 0.000 0.203 326 K C 2.016 178.598 176.600 -0.031 0.000 1.050 326 K CA 0.905 57.172 56.287 -0.032 0.000 0.945 326 K CB -0.162 32.315 32.500 -0.039 0.000 0.732 326 K HN 0.471 nan 8.250 nan 0.000 0.451 327 A N 0.652 123.446 122.820 -0.044 0.000 2.044 327 A HA -0.048 4.272 4.320 -0.000 0.000 0.213 327 A C 2.024 179.597 177.584 -0.020 0.000 1.169 327 A CA 1.261 53.273 52.037 -0.041 0.000 0.724 327 A CB -0.160 18.799 19.000 -0.068 0.000 0.840 327 A HN 0.359 nan 8.150 nan 0.000 0.463 328 T N -5.363 109.184 114.554 -0.013 0.000 3.014 328 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 328 T C 1.419 176.150 174.700 0.051 0.000 1.060 328 T CA 1.179 63.290 62.100 0.018 0.000 1.040 328 T CB 0.312 69.194 68.868 0.022 0.000 0.971 328 T HN 1.599 nan 8.240 nan 0.000 0.497 329 G N 1.407 110.226 108.800 0.032 0.000 2.157 329 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.248 329 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.248 329 G C 0.304 175.227 174.900 0.039 0.000 0.979 329 G CA -0.029 45.093 45.100 0.037 0.000 0.650 329 G HN 1.138 nan 8.290 nan 0.000 0.529 330 A N -0.338 122.505 122.820 0.039 0.000 2.287 330 A HA 0.733 5.053 4.320 -0.000 0.000 0.273 330 A C 0.455 178.054 177.584 0.026 0.000 1.091 330 A CA 0.155 52.217 52.037 0.042 0.000 0.817 330 A CB 0.560 19.594 19.000 0.057 0.000 1.069 330 A HN 0.392 nan 8.150 nan 0.000 0.492 331 K N 0.954 121.370 120.400 0.026 0.000 2.323 331 K HA 0.474 4.794 4.320 -0.000 0.000 0.259 331 K C -1.100 175.510 176.600 0.017 0.000 0.947 331 K CA -0.237 56.059 56.287 0.016 0.000 0.819 331 K CB 1.905 34.412 32.500 0.012 0.000 1.109 331 K HN 0.611 nan 8.250 nan 0.000 0.429 332 I N 3.269 123.846 120.570 0.011 0.000 2.556 332 I HA 0.047 4.217 4.170 -0.000 0.000 0.284 332 I C -0.077 176.044 176.117 0.007 0.000 1.114 332 I CA -0.323 60.984 61.300 0.012 0.000 1.418 332 I CB 0.707 38.710 38.000 0.005 0.000 1.394 332 I HN 0.198 nan 8.210 nan 0.000 0.552 333 V N 4.916 124.835 119.914 0.008 0.000 2.864 333 V HA 0.301 4.420 4.120 -0.000 0.000 0.314 333 V C 0.436 176.528 176.094 -0.004 0.000 1.073 333 V CA -0.522 61.777 62.300 -0.002 0.000 0.956 333 V CB 1.703 33.522 31.823 -0.008 0.000 1.023 333 V HN 0.790 nan 8.190 nan 0.000 0.435 334 T N 1.044 115.591 114.554 -0.012 0.000 3.015 334 T HA 0.129 4.479 4.350 -0.000 0.000 0.250 334 T C 0.582 175.270 174.700 -0.020 0.000 1.057 334 T CA 0.439 62.533 62.100 -0.011 0.000 1.066 334 T CB -0.116 68.745 68.868 -0.011 0.000 0.959 334 T HN 0.534 nan 8.240 nan 0.000 0.488 335 N N 1.597 120.276 118.700 -0.035 0.000 2.448 335 N HA 0.195 4.935 4.740 -0.000 0.000 0.279 335 N C 1.118 176.575 175.510 -0.088 0.000 1.025 335 N CA -0.191 52.824 53.050 -0.059 0.000 0.898 335 N CB 2.178 40.624 38.487 -0.067 0.000 1.303 335 N HN -0.019 nan 8.380 nan 0.000 0.495 336 V N 2.586 122.443 119.914 -0.095 0.000 2.490 336 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 336 V C 1.973 177.888 176.094 -0.298 0.000 1.061 336 V CA 1.317 63.549 62.300 -0.114 0.000 1.064 336 V CB -0.532 31.263 31.823 -0.046 0.000 0.670 336 V HN 0.504 nan 8.190 nan 0.000 0.461 337 K N 0.729 120.857 120.400 -0.453 0.000 2.113 337 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 337 K C 1.451 177.772 176.600 -0.464 0.000 1.047 337 K CA 2.177 57.963 56.287 -0.836 0.000 0.928 337 K CB -0.309 31.932 32.500 -0.432 0.000 0.716 337 K HN 0.500 nan 8.250 nan 0.000 0.446 338 D N -0.027 120.238 120.400 -0.226 0.000 2.336 338 D HA 0.046 4.686 4.640 -0.000 0.000 0.228 338 D C -0.667 175.590 176.300 -0.072 0.000 1.120 338 D CA -0.089 53.842 54.000 -0.114 0.000 0.839 338 D CB 0.159 40.915 40.800 -0.074 0.000 0.932 338 D HN -0.037 nan 8.370 nan 0.000 0.509 339 L N 1.424 122.599 121.223 -0.080 0.000 2.416 339 L HA 0.308 4.647 4.340 -0.000 0.000 0.272 339 L C 0.371 177.240 176.870 -0.003 0.000 1.161 339 L CA 0.382 55.204 54.840 -0.030 0.000 0.845 339 L CB 0.598 42.645 42.059 -0.022 0.000 1.119 339 L HN 0.037 nan 8.230 nan 0.000 0.464 340 T N 1.447 116.003 114.554 0.003 0.000 2.906 340 T HA 0.559 4.909 4.350 -0.000 0.000 0.295 340 T C -2.183 172.524 174.700 0.013 0.000 1.075 340 T CA -1.789 60.318 62.100 0.010 0.000 1.005 340 T CB 1.765 70.637 68.868 0.007 0.000 1.136 340 T HN 0.410 nan 8.240 nan 0.000 0.498 341 P HA -0.023 nan 4.420 nan 0.000 0.223 341 P C 0.763 178.073 177.300 0.017 0.000 1.144 341 P CA 0.881 63.990 63.100 0.015 0.000 0.783 341 P CB 0.071 31.778 31.700 0.012 0.000 0.771 342 E N -1.037 119.171 120.200 0.014 0.000 2.285 342 E HA -0.092 4.257 4.350 -0.000 0.000 0.194 342 E C 1.344 177.955 176.600 0.018 0.000 0.997 342 E CA 0.735 57.143 56.400 0.014 0.000 0.845 342 E CB -0.736 28.969 29.700 0.008 0.000 0.782 342 E HN 0.274 nan 8.360 nan 0.000 0.491 343 D N 0.001 120.412 120.400 0.017 0.000 2.317 343 D HA -0.022 4.618 4.640 -0.000 0.000 0.211 343 D C 0.459 176.778 176.300 0.032 0.000 0.966 343 D CA 0.322 54.334 54.000 0.020 0.000 0.876 343 D CB 0.099 40.907 40.800 0.013 0.000 0.927 343 D HN 0.190 nan 8.370 nan 0.000 0.519 344 L N 0.447 121.692 121.223 0.037 0.000 2.452 344 L HA 0.357 4.697 4.340 -0.000 0.000 0.267 344 L C 1.216 178.128 176.870 0.070 0.000 1.188 344 L CA -0.215 54.657 54.840 0.053 0.000 0.821 344 L CB 0.683 42.773 42.059 0.052 0.000 1.102 344 L HN -0.062 nan 8.230 nan 0.000 0.470 345 G N 0.232 109.086 108.800 0.091 0.000 2.685 345 G HA2 0.481 4.441 3.960 -0.000 0.000 0.298 345 G HA3 0.481 4.441 3.960 -0.000 0.000 0.298 345 G C -2.168 172.835 174.900 0.172 0.000 1.277 345 G CA -0.292 44.875 45.100 0.112 0.000 0.986 345 G HN 0.419 nan 8.290 nan 0.000 0.487 346 Y N -0.098 120.223 120.300 0.035 0.000 2.485 346 Y HA 0.687 5.237 4.550 -0.000 0.000 0.345 346 Y C -0.347 175.579 175.900 0.042 0.000 0.998 346 Y CA -1.138 56.984 58.100 0.036 0.000 1.059 346 Y CB 2.255 40.731 38.460 0.026 0.000 1.234 346 Y HN 0.822 nan 8.280 nan 0.000 0.461 347 A N 4.943 127.145 122.820 -1.029 0.000 2.466 347 A HA 0.292 4.612 4.320 -0.000 0.000 0.284 347 A C 0.375 177.388 177.584 -0.952 0.000 1.049 347 A CA -0.389 51.187 52.037 -0.769 0.000 0.760 347 A CB 0.879 19.719 19.000 -0.267 0.000 1.274 347 A HN 0.977 nan 8.150 nan 0.000 0.412 348 E N 1.176 120.923 120.200 -0.755 0.000 2.339 348 E HA -0.039 4.311 4.350 -0.000 0.000 0.201 348 E C -0.256 176.275 176.600 -0.115 0.000 1.015 348 E CA 1.540 57.785 56.400 -0.259 0.000 0.841 348 E CB 0.042 29.729 29.700 -0.021 0.000 0.754 348 E HN 0.537 nan 8.360 nan 0.000 0.508 349 V N -0.159 119.678 119.914 -0.129 0.000 2.915 349 V HA 0.147 4.267 4.120 -0.000 0.000 0.282 349 V C -1.308 174.779 176.094 -0.011 0.000 1.445 349 V CA -0.898 61.377 62.300 -0.042 0.000 0.953 349 V CB 2.242 34.059 31.823 -0.009 0.000 1.140 349 V HN -0.159 nan 8.190 nan 0.000 0.440 350 V N 3.969 123.893 119.914 0.016 0.000 2.482 350 V HA 0.721 4.841 4.120 -0.000 0.000 0.295 350 V C -0.472 175.662 176.094 0.068 0.000 1.026 350 V CA -0.329 62.013 62.300 0.070 0.000 0.856 350 V CB 1.751 33.616 31.823 0.071 0.000 1.001 350 V HN 0.968 nan 8.190 nan 0.000 0.424 351 E N 3.267 123.530 120.200 0.106 0.000 2.366 351 E HA 0.431 4.780 4.350 -0.000 0.000 0.278 351 E C -1.223 175.447 176.600 0.117 0.000 0.923 351 E CA -0.714 55.730 56.400 0.073 0.000 0.761 351 E CB 2.499 32.208 29.700 0.015 0.000 1.231 351 E HN 0.747 nan 8.360 nan 0.000 0.443 352 E N 3.801 124.050 120.200 0.082 0.000 2.152 352 E HA 0.264 4.614 4.350 -0.000 0.000 0.285 352 E C -0.962 175.670 176.600 0.054 0.000 1.043 352 E CA -0.347 56.113 56.400 0.100 0.000 0.839 352 E CB 0.762 30.505 29.700 0.071 0.000 1.069 352 E HN 0.332 nan 8.360 nan 0.000 0.399 353 R N 3.728 124.271 120.500 0.073 0.000 2.599 353 R HA 0.242 4.582 4.340 -0.000 0.000 0.295 353 R C -0.531 175.799 176.300 0.050 0.000 0.963 353 R CA -0.815 55.277 56.100 -0.014 0.000 0.883 353 R CB 1.634 31.806 30.300 -0.213 0.000 1.171 353 R HN 0.336 nan 8.270 nan 0.000 0.450 354 K N 3.698 124.110 120.400 0.020 0.000 2.150 354 K HA 0.122 4.442 4.320 -0.000 0.000 0.261 354 K C -0.821 175.800 176.600 0.035 0.000 1.127 354 K CA -0.344 55.964 56.287 0.036 0.000 0.989 354 K CB 0.222 32.734 32.500 0.020 0.000 1.475 354 K HN 0.278 nan 8.250 nan 0.000 0.391 355 L N 3.928 125.194 121.223 0.072 0.000 2.282 355 L HA 0.270 4.610 4.340 -0.000 0.000 0.287 355 L C -0.105 176.803 176.870 0.064 0.000 1.075 355 L CA 0.728 55.613 54.840 0.075 0.000 0.839 355 L CB 0.489 42.642 42.059 0.156 0.000 1.219 355 L HN 0.762 nan 8.230 nan 0.000 0.434 356 A N 3.665 126.509 122.820 0.041 0.000 2.971 356 A HA 0.110 4.430 4.320 -0.000 0.000 0.280 356 A C 1.435 179.037 177.584 0.031 0.000 1.430 356 A CA 0.967 53.024 52.037 0.034 0.000 0.749 356 A CB -2.179 16.844 19.000 0.039 0.000 1.038 356 A HN 2.199 nan 8.150 nan 0.000 0.510 357 G N -1.893 106.923 108.800 0.027 0.000 2.205 357 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.269 357 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.269 357 G C 0.041 174.959 174.900 0.030 0.000 0.977 357 G CA 1.510 46.624 45.100 0.024 0.000 0.652 357 G HN 1.444 nan 8.290 nan 0.000 0.539 358 E N 0.625 120.849 120.200 0.041 0.000 2.204 358 E HA 0.536 4.886 4.350 -0.000 0.000 0.276 358 E C -0.119 176.519 176.600 0.065 0.000 0.974 358 E CA -0.801 55.628 56.400 0.049 0.000 0.815 358 E CB 0.521 30.253 29.700 0.053 0.000 1.119 358 E HN 0.209 nan 8.360 nan 0.000 0.393 359 N N 3.274 122.012 118.700 0.062 0.000 2.422 359 N HA 0.388 5.128 4.740 -0.000 0.000 0.266 359 N C -0.746 174.823 175.510 0.099 0.000 1.007 359 N CA -0.090 53.007 53.050 0.078 0.000 0.941 359 N CB 0.808 39.331 38.487 0.060 0.000 1.115 359 N HN 0.404 nan 8.380 nan 0.000 0.492 360 M N 1.656 121.348 119.600 0.153 0.000 2.593 360 M HA 0.561 5.041 4.480 -0.000 0.000 0.290 360 M C -0.577 175.872 176.300 0.249 0.000 1.244 360 M CA -0.677 54.721 55.300 0.164 0.000 0.857 360 M CB 2.455 35.159 32.600 0.174 0.000 1.738 360 M HN 0.129 nan 8.290 nan 0.000 0.461 361 I N 1.483 122.165 120.570 0.187 0.000 2.378 361 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 361 I C -1.428 174.820 176.117 0.219 0.000 0.992 361 I CA -0.445 61.009 61.300 0.257 0.000 1.154 361 I CB 1.312 39.462 38.000 0.248 0.000 1.315 361 I HN 0.469 nan 8.210 nan 0.000 0.448 362 F N 5.753 125.734 119.950 0.053 0.000 2.361 362 F HA 0.311 4.838 4.527 -0.000 0.000 0.364 362 F C 0.231 176.049 175.800 0.030 0.000 1.117 362 F CA -0.748 57.268 58.000 0.026 0.000 1.071 362 F CB 1.419 40.426 39.000 0.011 0.000 1.188 362 F HN 0.030 nan 8.300 nan 0.000 0.464 363 V N 4.692 124.672 119.914 0.110 0.000 2.221 363 V HA 0.186 4.305 4.120 -0.000 0.000 0.258 363 V C 0.103 176.214 176.094 0.030 0.000 1.179 363 V CA -0.506 61.836 62.300 0.071 0.000 1.022 363 V CB -0.536 31.295 31.823 0.013 0.000 1.228 363 V HN 0.728 nan 8.190 nan 0.000 0.487 364 E N 2.190 122.425 120.200 0.058 0.000 2.264 364 E HA 0.675 5.025 4.350 -0.000 0.000 0.260 364 E C 0.641 177.230 176.600 -0.018 0.000 0.961 364 E CA -0.448 55.976 56.400 0.039 0.000 0.834 364 E CB 1.923 31.687 29.700 0.107 0.000 1.230 364 E HN 0.569 nan 8.360 nan 0.000 0.412 365 G N 0.500 109.296 108.800 -0.007 0.000 2.198 365 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 365 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 365 G C 0.182 175.062 174.900 -0.034 0.000 1.042 365 G CA 0.032 45.126 45.100 -0.011 0.000 0.791 365 G HN 0.592 nan 8.290 nan 0.000 0.502 366 C N -0.420 118.860 119.300 -0.033 0.000 2.705 366 C HA 0.406 4.866 4.460 -0.000 0.000 0.365 366 C C 2.294 177.333 174.990 0.081 0.000 1.353 366 C CA 0.418 59.427 59.018 -0.015 0.000 2.339 366 C CB 1.252 28.983 27.740 -0.015 0.000 2.576 366 C HN 0.758 nan 8.230 nan 0.000 0.716 367 K N 1.155 121.649 120.400 0.157 0.000 1.969 367 K HA -0.160 4.160 4.320 -0.000 0.000 0.220 367 K C 0.596 177.244 176.600 0.080 0.000 1.040 367 K CA 2.018 58.397 56.287 0.153 0.000 0.981 367 K CB -0.187 32.408 32.500 0.159 0.000 0.746 367 K HN 0.736 nan 8.250 nan 0.000 0.444 368 N N 1.006 119.741 118.700 0.059 0.000 2.752 368 N HA 0.258 4.998 4.740 -0.000 0.000 0.260 368 N C -2.813 172.710 175.510 0.022 0.000 1.562 368 N CA -1.891 51.181 53.050 0.035 0.000 0.788 368 N CB 1.309 39.813 38.487 0.029 0.000 1.192 368 N HN 0.054 nan 8.380 nan 0.000 0.503 369 P HA 0.017 nan 4.420 nan 0.000 0.265 369 P C -0.159 177.135 177.300 -0.009 0.000 1.187 369 P CA 0.045 63.142 63.100 -0.004 0.000 0.766 369 P CB 1.234 32.924 31.700 -0.017 0.000 0.820 370 K N 1.007 121.397 120.400 -0.016 0.000 2.358 370 K HA 0.400 4.720 4.320 -0.000 0.000 0.197 370 K C 0.284 176.865 176.600 -0.032 0.000 1.025 370 K CA 0.025 56.302 56.287 -0.017 0.000 1.104 370 K CB 0.363 32.854 32.500 -0.014 0.000 0.855 370 K HN 0.599 nan 8.250 nan 0.000 0.531 371 A N -0.247 122.546 122.820 -0.046 0.000 2.455 371 A HA 0.722 5.042 4.320 -0.000 0.000 0.300 371 A C -1.506 176.030 177.584 -0.080 0.000 1.040 371 A CA -0.675 51.320 52.037 -0.070 0.000 0.697 371 A CB 1.744 20.697 19.000 -0.078 0.000 1.265 371 A HN -0.051 nan 8.150 nan 0.000 0.407 372 V N 1.009 120.859 119.914 -0.106 0.000 3.114 372 V HA 0.848 4.968 4.120 -0.000 0.000 0.308 372 V C -0.718 175.280 176.094 -0.160 0.000 1.168 372 V CA -0.198 62.036 62.300 -0.109 0.000 1.015 372 V CB 2.682 34.456 31.823 -0.083 0.000 1.050 372 V HN 1.060 nan 8.190 nan 0.000 0.433 373 T N 5.526 119.991 114.554 -0.147 0.000 2.863 373 T HA 0.645 4.995 4.350 -0.000 0.000 0.285 373 T C -0.644 173.975 174.700 -0.134 0.000 1.009 373 T CA -0.196 61.797 62.100 -0.179 0.000 0.989 373 T CB 1.280 70.044 68.868 -0.173 0.000 1.004 373 T HN 0.518 nan 8.240 nan 0.000 0.455 374 I N 3.236 123.720 120.570 -0.144 0.000 2.362 374 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 374 I C -0.795 175.356 176.117 0.057 0.000 0.994 374 I CA -0.950 60.343 61.300 -0.012 0.000 1.158 374 I CB 1.537 39.587 38.000 0.083 0.000 1.315 374 I HN 0.297 nan 8.210 nan 0.000 0.451 375 L N 8.629 129.884 121.223 0.054 0.000 2.261 375 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 375 L C -0.367 176.549 176.870 0.076 0.000 1.059 375 L CA 0.089 54.968 54.840 0.065 0.000 0.816 375 L CB 0.404 42.517 42.059 0.089 0.000 1.191 375 L HN 0.381 nan 8.230 nan 0.000 0.431 376 I N 6.047 126.663 120.570 0.077 0.000 2.325 376 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 376 I C -0.065 176.071 176.117 0.032 0.000 1.019 376 I CA -0.584 60.745 61.300 0.050 0.000 1.302 376 I CB 0.448 38.474 38.000 0.043 0.000 1.401 376 I HN 0.467 nan 8.210 nan 0.000 0.485 377 R N 5.029 125.536 120.500 0.011 0.000 2.562 377 R HA 0.800 5.140 4.340 -0.000 0.000 0.298 377 R C -0.323 175.969 176.300 -0.013 0.000 0.961 377 R CA -0.873 55.231 56.100 0.007 0.000 0.881 377 R CB 1.946 32.249 30.300 0.005 0.000 1.159 377 R HN 0.845 nan 8.270 nan 0.000 0.450 378 G N -0.578 108.223 108.800 0.002 0.000 2.732 378 G HA2 0.386 4.346 3.960 -0.000 0.000 0.296 378 G HA3 0.386 4.346 3.960 -0.000 0.000 0.296 378 G C 0.509 175.418 174.900 0.016 0.000 1.448 378 G CA -0.306 44.796 45.100 0.003 0.000 0.911 378 G HN 0.462 nan 8.290 nan 0.000 0.528 379 G N -0.411 108.400 108.800 0.018 0.000 2.469 379 G HA2 0.169 4.128 3.960 -0.000 0.000 0.219 379 G HA3 0.169 4.128 3.960 -0.000 0.000 0.219 379 G C 0.895 175.805 174.900 0.017 0.000 1.150 379 G CA 1.949 47.059 45.100 0.017 0.000 0.763 379 G HN 1.017 nan 8.290 nan 0.000 0.561 380 T N -2.110 112.460 114.554 0.028 0.000 2.907 380 T HA 0.445 4.794 4.350 -0.000 0.000 0.290 380 T C 0.892 175.641 174.700 0.080 0.000 1.066 380 T CA -0.362 61.758 62.100 0.034 0.000 1.012 380 T CB 2.049 70.914 68.868 -0.005 0.000 1.184 380 T HN 0.007 nan 8.240 nan 0.000 0.522 381 E N 0.217 120.491 120.200 0.123 0.000 2.118 381 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 381 E C 1.530 178.232 176.600 0.170 0.000 0.992 381 E CA 1.803 58.291 56.400 0.146 0.000 0.804 381 E CB -0.155 29.654 29.700 0.182 0.000 0.741 381 E HN 0.654 nan 8.360 nan 0.000 0.458 382 H N -0.972 118.097 119.070 -0.002 0.000 2.293 382 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 382 H C 2.135 177.460 175.328 -0.004 0.000 1.082 382 H CA 1.498 57.544 56.048 -0.004 0.000 1.308 382 H CB -0.753 29.009 29.762 -0.001 0.000 1.375 382 H HN 0.022 nan 8.280 nan 0.000 0.495 383 V N 0.870 120.868 119.914 0.140 0.000 2.324 383 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 383 V C 2.424 178.542 176.094 0.040 0.000 1.060 383 V CA 1.979 64.324 62.300 0.076 0.000 1.042 383 V CB -0.652 31.208 31.823 0.061 0.000 0.650 383 V HN 0.328 nan 8.190 nan 0.000 0.450 384 I N -0.113 120.478 120.570 0.034 0.000 2.110 384 I HA -0.214 3.956 4.170 -0.000 0.000 0.236 384 I C 2.374 178.477 176.117 -0.024 0.000 1.068 384 I CA 1.785 63.088 61.300 0.005 0.000 1.333 384 I CB -0.739 37.270 38.000 0.014 0.000 1.054 384 I HN 0.289 nan 8.210 nan 0.000 0.402 385 D N 0.552 120.935 120.400 -0.030 0.000 2.172 385 D HA -0.255 4.385 4.640 -0.000 0.000 0.196 385 D C 2.005 178.257 176.300 -0.079 0.000 0.999 385 D CA 1.524 55.484 54.000 -0.067 0.000 0.856 385 D CB -0.233 40.514 40.800 -0.090 0.000 0.934 385 D HN 0.329 nan 8.370 nan 0.000 0.453 386 E N 0.170 120.338 120.200 -0.053 0.000 2.216 386 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 386 E C 2.016 178.584 176.600 -0.053 0.000 0.988 386 E CA 0.149 56.520 56.400 -0.048 0.000 0.834 386 E CB 0.120 29.811 29.700 -0.015 0.000 0.772 386 E HN 0.022 nan 8.360 nan 0.000 0.479 387 V N 0.692 120.577 119.914 -0.047 0.000 2.453 387 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 387 V C 2.333 178.350 176.094 -0.128 0.000 1.048 387 V CA 1.927 64.195 62.300 -0.053 0.000 1.049 387 V CB -0.409 31.396 31.823 -0.030 0.000 0.672 387 V HN 0.357 nan 8.190 nan 0.000 0.457 388 E N 0.411 120.503 120.200 -0.180 0.000 2.077 388 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 388 E C 2.452 178.817 176.600 -0.391 0.000 0.989 388 E CA 1.260 57.438 56.400 -0.370 0.000 0.800 388 E CB -0.068 29.440 29.700 -0.320 0.000 0.746 388 E HN 0.464 nan 8.360 nan 0.000 0.452 389 R N -0.250 120.114 120.500 -0.226 0.000 2.120 389 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 389 R C 2.288 178.507 176.300 -0.136 0.000 1.123 389 R CA 1.010 57.009 56.100 -0.168 0.000 0.975 389 R CB -0.171 30.064 30.300 -0.107 0.000 0.866 389 R HN 0.192 nan 8.270 nan 0.000 0.446 390 A N 0.806 123.557 122.820 -0.115 0.000 1.897 390 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 390 A C 2.100 179.640 177.584 -0.073 0.000 1.181 390 A CA 0.879 52.876 52.037 -0.067 0.000 0.620 390 A CB -0.388 18.593 19.000 -0.032 0.000 0.821 390 A HN 0.177 nan 8.150 nan 0.000 0.443 391 L N -0.431 120.714 121.223 -0.130 0.000 2.083 391 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 391 L C 2.524 179.362 176.870 -0.052 0.000 1.083 391 L CA 1.534 56.323 54.840 -0.085 0.000 0.752 391 L CB -0.555 41.428 42.059 -0.127 0.000 0.899 391 L HN 0.475 nan 8.230 nan 0.000 0.433 392 E N -0.165 119.911 120.200 -0.207 0.000 2.204 392 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 392 E C 1.469 178.074 176.600 0.007 0.000 0.990 392 E CA 1.119 57.481 56.400 -0.063 0.000 0.821 392 E CB -0.014 29.601 29.700 -0.142 0.000 0.750 392 E HN 0.520 nan 8.360 nan 0.000 0.477 393 D N 0.313 120.700 120.400 -0.021 0.000 2.162 393 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 393 D C 1.950 178.260 176.300 0.016 0.000 0.964 393 D CA 0.940 54.939 54.000 -0.002 0.000 0.847 393 D CB -0.181 40.611 40.800 -0.013 0.000 0.988 393 D HN 0.102 nan 8.370 nan 0.000 0.480 394 A N 0.858 123.689 122.820 0.018 0.000 1.940 394 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 394 A C 2.457 180.069 177.584 0.046 0.000 1.176 394 A CA 1.279 53.335 52.037 0.031 0.000 0.631 394 A CB -0.621 18.401 19.000 0.037 0.000 0.814 394 A HN 0.144 nan 8.150 nan 0.000 0.446 395 V N -0.529 119.431 119.914 0.077 0.000 2.346 395 V HA -0.163 3.957 4.120 -0.000 0.000 0.244 395 V C 2.389 178.517 176.094 0.056 0.000 1.037 395 V CA 2.074 64.426 62.300 0.088 0.000 1.029 395 V CB -0.550 31.375 31.823 0.169 0.000 0.663 395 V HN 0.519 nan 8.190 nan 0.000 0.454 396 K N 0.148 120.581 120.400 0.056 0.000 2.152 396 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 396 K C 2.003 178.615 176.600 0.020 0.000 1.048 396 K CA 1.752 58.061 56.287 0.037 0.000 0.933 396 K CB -0.213 32.307 32.500 0.032 0.000 0.721 396 K HN 0.571 nan 8.250 nan 0.000 0.447 397 V N -2.672 117.252 119.914 0.017 0.000 2.407 397 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 397 V C 2.005 178.099 176.094 -0.002 0.000 1.041 397 V CA 1.132 63.436 62.300 0.007 0.000 1.040 397 V CB -0.623 31.204 31.823 0.007 0.000 0.671 397 V HN -0.044 nan 8.190 nan 0.000 0.455 398 V N 1.156 121.070 119.914 -0.001 0.000 2.392 398 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 398 V C 2.759 178.833 176.094 -0.032 0.000 1.059 398 V CA 2.733 65.022 62.300 -0.019 0.000 1.051 398 V CB -0.987 30.828 31.823 -0.012 0.000 0.658 398 V HN 0.743 nan 8.190 nan 0.000 0.455 399 K N 0.007 120.399 120.400 -0.013 0.000 2.097 399 K HA -0.245 4.075 4.320 -0.000 0.000 0.206 399 K C 1.775 178.367 176.600 -0.013 0.000 1.049 399 K CA 2.006 58.288 56.287 -0.010 0.000 0.933 399 K CB -0.281 32.225 32.500 0.011 0.000 0.717 399 K HN 0.469 nan 8.250 nan 0.000 0.442 400 D N 0.513 120.908 120.400 -0.007 0.000 2.117 400 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 400 D C 2.036 178.327 176.300 -0.016 0.000 0.982 400 D CA 1.205 55.202 54.000 -0.005 0.000 0.828 400 D CB -0.079 40.721 40.800 -0.001 0.000 0.967 400 D HN 0.103 nan 8.370 nan 0.000 0.464 401 V N 1.146 121.042 119.914 -0.031 0.000 2.427 401 V HA -0.201 3.918 4.120 -0.000 0.000 0.248 401 V C 2.532 178.581 176.094 -0.075 0.000 1.051 401 V CA 1.164 63.438 62.300 -0.043 0.000 1.048 401 V CB -0.402 31.393 31.823 -0.046 0.000 0.666 401 V HN 0.177 nan 8.190 nan 0.000 0.456 402 M N -0.438 119.090 119.600 -0.121 0.000 2.175 402 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 402 M C 2.140 178.387 176.300 -0.087 0.000 1.063 402 M CA 1.762 56.921 55.300 -0.236 0.000 1.119 402 M CB -0.391 31.978 32.600 -0.385 0.000 1.377 402 M HN 0.387 nan 8.290 nan 0.000 0.415 403 E N -0.095 120.099 120.200 -0.009 0.000 2.299 403 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 403 E C 1.008 177.630 176.600 0.037 0.000 0.998 403 E CA 0.672 57.103 56.400 0.053 0.000 0.851 403 E CB 0.160 29.889 29.700 0.047 0.000 0.795 403 E HN 0.470 nan 8.360 nan 0.000 0.492 404 D N -0.567 119.840 120.400 0.012 0.000 2.431 404 D HA 0.054 4.694 4.640 -0.000 0.000 0.235 404 D C 1.124 177.429 176.300 0.007 0.000 0.980 404 D CA 0.957 54.964 54.000 0.011 0.000 0.912 404 D CB 0.206 41.008 40.800 0.004 0.000 1.056 404 D HN 0.187 nan 8.370 nan 0.000 0.494 405 G N 0.798 109.594 108.800 -0.007 0.000 2.273 405 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.280 405 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.280 405 G C 0.112 175.010 174.900 -0.003 0.000 1.047 405 G CA 0.518 45.613 45.100 -0.008 0.000 0.869 405 G HN 0.665 nan 8.290 nan 0.000 0.502 406 A N -1.331 121.486 122.820 -0.005 0.000 2.437 406 A HA 0.954 5.274 4.320 -0.000 0.000 0.293 406 A C -0.070 177.512 177.584 -0.002 0.000 1.038 406 A CA 0.059 52.095 52.037 -0.001 0.000 0.708 406 A CB 1.978 20.979 19.000 0.002 0.000 1.251 406 A HN 1.971 nan 8.150 nan 0.000 0.409 407 V N 0.427 120.341 119.914 -0.000 0.000 3.126 407 V HA 0.946 5.066 4.120 -0.000 0.000 0.314 407 V C -0.778 175.321 176.094 0.008 0.000 1.138 407 V CA -0.939 61.362 62.300 0.002 0.000 1.034 407 V CB 1.717 33.540 31.823 -0.000 0.000 1.075 407 V HN 0.857 nan 8.190 nan 0.000 0.442 408 L N 1.455 122.685 121.223 0.011 0.000 2.359 408 L HA 0.691 5.031 4.340 -0.000 0.000 0.256 408 L C -2.559 174.325 176.870 0.022 0.000 1.026 408 L CA -1.989 52.862 54.840 0.018 0.000 0.828 408 L CB 3.203 45.275 42.059 0.020 0.000 1.406 408 L HN 0.531 nan 8.230 nan 0.000 0.413 409 P HA 0.282 nan 4.420 nan 0.000 0.276 409 P C -1.058 176.263 177.300 0.035 0.000 1.261 409 P CA -0.240 62.882 63.100 0.036 0.000 0.800 409 P CB 1.524 33.254 31.700 0.049 0.000 1.066 410 A N 0.157 122.998 122.820 0.035 0.000 3.158 410 A HA 0.676 4.996 4.320 -0.000 0.000 0.217 410 A C 0.959 178.560 177.584 0.028 0.000 1.469 410 A CA -0.231 51.824 52.037 0.030 0.000 0.885 410 A CB -0.806 18.214 19.000 0.033 0.000 1.662 410 A HN 0.711 nan 8.150 nan 0.000 0.512 411 G N -2.074 106.738 108.800 0.020 0.000 2.305 411 G HA2 0.201 4.160 3.960 -0.000 0.000 0.287 411 G HA3 0.201 4.160 3.960 -0.000 0.000 0.287 411 G C 1.641 176.537 174.900 -0.006 0.000 1.036 411 G CA 1.299 46.404 45.100 0.009 0.000 0.887 411 G HN 2.631 nan 8.290 nan 0.000 0.505 412 G N -1.351 107.440 108.800 -0.015 0.000 2.212 412 G HA2 0.006 3.966 3.960 -0.000 0.000 0.266 412 G HA3 0.006 3.966 3.960 -0.000 0.000 0.266 412 G C 1.882 176.751 174.900 -0.052 0.000 0.978 412 G CA 1.495 46.574 45.100 -0.036 0.000 0.632 412 G HN 2.141 nan 8.290 nan 0.000 0.537 413 A N 1.137 123.947 122.820 -0.016 0.000 1.927 413 A HA 0.027 4.347 4.320 -0.000 0.000 0.220 413 A C 0.651 178.238 177.584 0.006 0.000 1.185 413 A CA 2.728 54.774 52.037 0.015 0.000 0.639 413 A CB -1.154 17.910 19.000 0.106 0.000 0.820 413 A HN 0.504 nan 8.150 nan 0.000 0.451 414 P HA -0.111 nan 4.420 nan 0.000 0.218 414 P C 1.221 178.515 177.300 -0.010 0.000 1.152 414 P CA 1.281 64.395 63.100 0.023 0.000 0.826 414 P CB -0.043 31.670 31.700 0.022 0.000 0.790 415 E N -0.189 119.989 120.200 -0.036 0.000 2.152 415 E HA -0.079 4.270 4.350 -0.000 0.000 0.192 415 E C 2.086 178.639 176.600 -0.079 0.000 0.983 415 E CA 0.925 57.301 56.400 -0.040 0.000 0.818 415 E CB -1.055 28.619 29.700 -0.044 0.000 0.758 415 E HN 0.297 nan 8.360 nan 0.000 0.467 416 I N 1.481 121.949 120.570 -0.170 0.000 2.142 416 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 416 I C 2.753 178.710 176.117 -0.267 0.000 1.078 416 I CA 1.608 62.734 61.300 -0.289 0.000 1.343 416 I CB -0.210 37.453 38.000 -0.562 0.000 1.046 416 I HN 0.089 nan 8.210 nan 0.000 0.405 417 E N 1.467 121.522 120.200 -0.242 0.000 2.058 417 E HA -0.219 4.130 4.350 -0.000 0.000 0.194 417 E C 2.208 178.838 176.600 0.051 0.000 0.997 417 E CA 1.460 57.907 56.400 0.079 0.000 0.801 417 E CB -0.279 29.569 29.700 0.248 0.000 0.746 417 E HN 0.384 nan 8.360 nan 0.000 0.450 418 L N -0.230 121.008 121.223 0.025 0.000 2.083 418 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 418 L C 2.424 179.328 176.870 0.056 0.000 1.083 418 L CA 1.018 55.884 54.840 0.042 0.000 0.752 418 L CB -0.550 41.540 42.059 0.052 0.000 0.899 418 L HN 0.289 nan 8.230 nan 0.000 0.433 419 A N 0.577 123.418 122.820 0.034 0.000 1.832 419 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 419 A C 2.135 179.751 177.584 0.053 0.000 1.200 419 A CA 1.363 53.428 52.037 0.047 0.000 0.610 419 A CB -0.682 18.324 19.000 0.010 0.000 0.842 419 A HN 0.273 nan 8.150 nan 0.000 0.444 420 I N -0.866 119.726 120.570 0.038 0.000 2.087 420 I HA -0.354 3.815 4.170 -0.000 0.000 0.240 420 I C 2.774 178.931 176.117 0.068 0.000 1.054 420 I CA 2.259 63.593 61.300 0.057 0.000 1.311 420 I CB -0.387 37.661 38.000 0.081 0.000 1.024 420 I HN 0.367 nan 8.210 nan 0.000 0.402 421 R N 1.367 121.909 120.500 0.070 0.000 2.070 421 R HA -0.119 4.221 4.340 -0.000 0.000 0.233 421 R C 2.223 178.575 176.300 0.087 0.000 1.137 421 R CA 1.563 57.704 56.100 0.069 0.000 0.945 421 R CB -0.660 29.672 30.300 0.053 0.000 0.845 421 R HN 0.271 nan 8.270 nan 0.000 0.430 422 L N 0.848 122.123 121.223 0.086 0.000 2.349 422 L HA -0.201 4.139 4.340 -0.000 0.000 0.220 422 L C 1.962 178.921 176.870 0.149 0.000 1.130 422 L CA 1.247 56.161 54.840 0.124 0.000 0.791 422 L CB -0.462 41.656 42.059 0.099 0.000 0.918 422 L HN 0.448 nan 8.230 nan 0.000 0.444 423 D N -0.377 120.088 120.400 0.107 0.000 2.162 423 D HA -0.149 4.491 4.640 -0.000 0.000 0.203 423 D C 1.894 178.235 176.300 0.069 0.000 0.967 423 D CA 0.752 54.801 54.000 0.082 0.000 0.840 423 D CB 0.386 41.224 40.800 0.064 0.000 0.972 423 D HN 0.233 nan 8.370 nan 0.000 0.482 424 E N 0.298 120.548 120.200 0.083 0.000 2.031 424 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 424 E C 2.001 178.652 176.600 0.085 0.000 0.994 424 E CA 0.641 57.084 56.400 0.073 0.000 0.800 424 E CB -1.070 28.678 29.700 0.080 0.000 0.752 424 E HN 0.438 nan 8.360 nan 0.000 0.447 425 Y N 1.533 121.832 120.300 -0.001 0.000 2.193 425 Y HA -0.260 4.290 4.550 -0.000 0.000 0.285 425 Y C 2.174 178.069 175.900 -0.009 0.000 1.166 425 Y CA 1.445 59.538 58.100 -0.011 0.000 1.181 425 Y CB -0.578 37.867 38.460 -0.026 0.000 0.976 425 Y HN 0.024 nan 8.280 nan 0.000 0.520 426 A N 0.697 123.450 122.820 -0.111 0.000 1.883 426 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 426 A C 2.277 179.763 177.584 -0.162 0.000 1.186 426 A CA 1.902 53.840 52.037 -0.164 0.000 0.624 426 A CB -0.483 18.502 19.000 -0.026 0.000 0.822 426 A HN 0.348 nan 8.150 nan 0.000 0.444 427 K N 0.464 120.812 120.400 -0.088 0.000 1.969 427 K HA -0.234 4.086 4.320 -0.000 0.000 0.216 427 K C 2.127 178.669 176.600 -0.098 0.000 1.048 427 K CA 1.968 58.216 56.287 -0.066 0.000 0.948 427 K CB -1.250 31.234 32.500 -0.026 0.000 0.726 427 K HN 0.854 nan 8.250 nan 0.000 0.442 428 Q N 0.820 120.562 119.800 -0.098 0.000 2.217 428 Q HA -0.142 4.198 4.340 -0.000 0.000 0.209 428 Q C 2.028 177.934 176.000 -0.158 0.000 0.988 428 Q CA 1.717 57.462 55.803 -0.096 0.000 0.878 428 Q CB -0.668 28.044 28.738 -0.045 0.000 0.909 428 Q HN 0.050 nan 8.270 nan 0.000 0.424 429 V N 0.737 120.477 119.914 -0.289 0.000 2.346 429 V HA 0.004 4.124 4.120 -0.000 0.000 0.244 429 V C 1.375 177.375 176.094 -0.157 0.000 1.037 429 V CA 1.145 63.276 62.300 -0.283 0.000 1.029 429 V CB -1.299 30.254 31.823 -0.450 0.000 0.663 429 V HN 0.679 nan 8.190 nan 0.000 0.454 430 G N -0.481 108.236 108.800 -0.138 0.000 2.992 430 G HA2 0.280 4.240 3.960 -0.000 0.000 0.340 430 G HA3 0.280 4.240 3.960 -0.000 0.000 0.340 430 G C 0.504 175.365 174.900 -0.064 0.000 1.539 430 G CA -0.170 44.881 45.100 -0.082 0.000 0.997 430 G HN 1.775 nan 8.290 nan 0.000 0.561 431 G N -0.343 108.431 108.800 -0.044 0.000 2.587 431 G HA2 0.053 4.013 3.960 -0.000 0.000 0.212 431 G HA3 0.053 4.013 3.960 -0.000 0.000 0.212 431 G C 0.915 175.798 174.900 -0.029 0.000 1.327 431 G CA 0.693 45.773 45.100 -0.034 0.000 0.898 431 G HN 1.272 nan 8.290 nan 0.000 0.551 432 K N 0.272 120.658 120.400 -0.023 0.000 2.032 432 K HA -0.099 4.220 4.320 -0.000 0.000 0.209 432 K C 2.421 179.008 176.600 -0.021 0.000 1.048 432 K CA 2.257 58.534 56.287 -0.018 0.000 0.927 432 K CB -0.523 31.969 32.500 -0.013 0.000 0.712 432 K HN 0.558 nan 8.250 nan 0.000 0.441 433 E N 0.851 121.034 120.200 -0.028 0.000 2.114 433 E HA -0.200 4.149 4.350 -0.000 0.000 0.199 433 E C 1.873 178.454 176.600 -0.032 0.000 1.008 433 E CA 1.673 58.055 56.400 -0.030 0.000 0.810 433 E CB -0.418 29.257 29.700 -0.042 0.000 0.739 433 E HN 0.388 nan 8.360 nan 0.000 0.456 434 A N -0.016 122.774 122.820 -0.049 0.000 2.019 434 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 434 A C 1.945 179.527 177.584 -0.004 0.000 1.164 434 A CA 1.039 53.045 52.037 -0.051 0.000 0.644 434 A CB -0.361 18.603 19.000 -0.060 0.000 0.805 434 A HN 0.158 nan 8.150 nan 0.000 0.449 435 L N -0.633 120.592 121.223 0.004 0.000 2.027 435 L HA -0.052 4.287 4.340 -0.000 0.000 0.206 435 L C 2.965 179.870 176.870 0.057 0.000 1.074 435 L CA 1.855 56.709 54.840 0.023 0.000 0.745 435 L CB -1.207 40.856 42.059 0.008 0.000 0.898 435 L HN 0.382 nan 8.230 nan 0.000 0.433 436 A N -0.421 122.425 122.820 0.044 0.000 1.902 436 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 436 A C 2.265 180.017 177.584 0.280 0.000 1.181 436 A CA 1.659 53.745 52.037 0.083 0.000 0.623 436 A CB -0.720 18.254 19.000 -0.044 0.000 0.818 436 A HN 0.386 nan 8.150 nan 0.000 0.443 437 I N -0.791 119.885 120.570 0.175 0.000 2.493 437 I HA -0.216 3.954 4.170 -0.000 0.000 0.254 437 I C 2.365 178.591 176.117 0.182 0.000 1.160 437 I CA 1.414 62.813 61.300 0.165 0.000 1.445 437 I CB -0.392 37.627 38.000 0.033 0.000 1.086 437 I HN 0.427 nan 8.210 nan 0.000 0.433 438 E N 0.705 120.992 120.200 0.144 0.000 2.122 438 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 438 E C 1.840 178.537 176.600 0.161 0.000 0.977 438 E CA 0.659 57.133 56.400 0.124 0.000 0.820 438 E CB 0.109 29.854 29.700 0.074 0.000 0.770 438 E HN 0.359 nan 8.360 nan 0.000 0.462 439 N N 0.265 119.085 118.700 0.199 0.000 2.142 439 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 439 N C 1.408 177.074 175.510 0.259 0.000 1.023 439 N CA 0.762 53.936 53.050 0.207 0.000 0.852 439 N CB -0.278 38.340 38.487 0.218 0.000 0.998 439 N HN 0.115 nan 8.380 nan 0.000 0.424 440 F N 1.215 121.285 119.950 0.200 0.000 2.095 440 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 440 F C 2.083 177.869 175.800 -0.023 0.000 1.104 440 F CA 1.467 59.468 58.000 0.001 0.000 1.232 440 F CB -0.111 38.868 39.000 -0.035 0.000 0.987 440 F HN 0.057 nan 8.300 nan 0.000 0.475 441 A N -0.651 122.418 122.820 0.415 0.000 2.015 441 A HA -0.210 4.109 4.320 -0.000 0.000 0.219 441 A C 1.746 179.402 177.584 0.121 0.000 1.163 441 A CA 1.918 54.113 52.037 0.264 0.000 0.646 441 A CB -0.953 18.158 19.000 0.186 0.000 0.806 441 A HN 0.537 nan 8.150 nan 0.000 0.448 442 D N -0.295 120.162 120.400 0.096 0.000 2.103 442 D HA 0.041 4.681 4.640 -0.000 0.000 0.199 442 D C 2.118 178.416 176.300 -0.003 0.000 0.978 442 D CA 1.429 55.454 54.000 0.042 0.000 0.829 442 D CB -0.245 40.583 40.800 0.047 0.000 0.981 442 D HN 0.286 nan 8.370 nan 0.000 0.464 443 A N 0.720 123.521 122.820 -0.032 0.000 1.903 443 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 443 A C 2.351 179.860 177.584 -0.125 0.000 1.191 443 A CA 1.534 53.506 52.037 -0.109 0.000 0.638 443 A CB -1.193 17.671 19.000 -0.227 0.000 0.823 443 A HN 0.423 nan 8.150 nan 0.000 0.451 444 L N -1.020 120.131 121.223 -0.120 0.000 2.450 444 L HA -0.214 4.125 4.340 -0.000 0.000 0.225 444 L C 2.050 178.881 176.870 -0.065 0.000 1.145 444 L CA 1.422 56.206 54.840 -0.092 0.000 0.801 444 L CB -0.482 41.561 42.059 -0.025 0.000 0.924 444 L HN 0.431 nan 8.230 nan 0.000 0.447 445 K N 0.109 120.477 120.400 -0.054 0.000 2.418 445 K HA -0.037 4.282 4.320 -0.000 0.000 0.195 445 K C 1.756 178.325 176.600 -0.051 0.000 1.035 445 K CA 0.585 56.842 56.287 -0.049 0.000 1.003 445 K CB -0.021 32.458 32.500 -0.035 0.000 0.793 445 K HN 0.297 nan 8.250 nan 0.000 0.494 446 I N -0.017 120.517 120.570 -0.059 0.000 2.700 446 I HA -0.219 3.951 4.170 -0.000 0.000 0.261 446 I C 1.689 177.773 176.117 -0.054 0.000 1.219 446 I CA 1.063 62.330 61.300 -0.055 0.000 1.463 446 I CB -0.525 37.438 38.000 -0.061 0.000 1.092 446 I HN -0.001 nan 8.210 nan 0.000 0.452 447 I N 1.384 121.920 120.570 -0.056 0.000 2.133 447 I HA -0.075 4.095 4.170 -0.000 0.000 0.238 447 I C 0.164 176.252 176.117 -0.048 0.000 1.074 447 I CA 1.465 62.734 61.300 -0.051 0.000 1.342 447 I CB -2.708 35.262 38.000 -0.050 0.000 1.053 447 I HN 0.179 nan 8.210 nan 0.000 0.404 448 P HA -0.140 nan 4.420 nan 0.000 0.217 448 P C 1.806 179.080 177.300 -0.043 0.000 1.150 448 P CA 1.450 64.522 63.100 -0.047 0.000 0.832 448 P CB -0.014 31.654 31.700 -0.054 0.000 0.787 449 K N -0.471 119.904 120.400 -0.042 0.000 1.969 449 K HA -0.129 4.190 4.320 -0.000 0.000 0.216 449 K C 2.043 178.619 176.600 -0.040 0.000 1.048 449 K CA 2.423 58.687 56.287 -0.038 0.000 0.948 449 K CB -1.140 31.338 32.500 -0.037 0.000 0.726 449 K HN 0.217 nan 8.250 nan 0.000 0.442 450 T N -0.378 114.151 114.554 -0.043 0.000 3.163 450 T HA 0.015 4.365 4.350 -0.000 0.000 0.260 450 T C 1.856 176.527 174.700 -0.049 0.000 1.156 450 T CA 0.393 62.467 62.100 -0.044 0.000 1.072 450 T CB -0.057 68.785 68.868 -0.043 0.000 0.937 450 T HN 0.100 nan 8.240 nan 0.000 0.528 451 L N 0.004 121.196 121.223 -0.051 0.000 2.102 451 L HA 0.280 4.620 4.340 -0.000 0.000 0.202 451 L C 3.118 179.948 176.870 -0.067 0.000 1.076 451 L CA 1.085 55.889 54.840 -0.060 0.000 0.761 451 L CB -0.511 41.515 42.059 -0.054 0.000 0.921 451 L HN 0.405 nan 8.230 nan 0.000 0.444 452 A N -0.739 122.048 122.820 -0.055 0.000 2.016 452 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 452 A C 2.125 179.678 177.584 -0.051 0.000 1.162 452 A CA 1.168 53.172 52.037 -0.053 0.000 0.662 452 A CB -0.288 18.688 19.000 -0.039 0.000 0.812 452 A HN 0.449 nan 8.150 nan 0.000 0.450 453 E N 0.418 120.590 120.200 -0.046 0.000 2.028 453 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 453 E C 1.519 178.091 176.600 -0.047 0.000 0.988 453 E CA 1.304 57.679 56.400 -0.042 0.000 0.799 453 E CB -0.160 29.517 29.700 -0.038 0.000 0.755 453 E HN 0.546 nan 8.360 nan 0.000 0.447 454 N N 0.475 119.142 118.700 -0.054 0.000 2.223 454 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 454 N C 1.483 176.951 175.510 -0.070 0.000 1.016 454 N CA 1.157 54.172 53.050 -0.058 0.000 0.863 454 N CB -0.243 38.206 38.487 -0.063 0.000 0.983 454 N HN 0.219 nan 8.380 nan 0.000 0.429 455 A N 0.169 122.940 122.820 -0.083 0.000 2.209 455 A HA 0.298 4.618 4.320 -0.000 0.000 0.212 455 A C 1.539 179.082 177.584 -0.068 0.000 1.158 455 A CA 0.973 52.952 52.037 -0.097 0.000 0.742 455 A CB -0.451 18.477 19.000 -0.119 0.000 0.790 455 A HN 0.338 nan 8.150 nan 0.000 0.472 456 G N -1.365 107.404 108.800 -0.052 0.000 2.143 456 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.248 456 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.248 456 G C 0.122 175.003 174.900 -0.032 0.000 0.991 456 G CA 0.450 45.527 45.100 -0.038 0.000 0.689 456 G HN 0.464 nan 8.290 nan 0.000 0.522 457 L N -0.526 120.676 121.223 -0.035 0.000 2.488 457 L HA 0.522 4.861 4.340 -0.000 0.000 0.249 457 L C 0.659 177.515 176.870 -0.023 0.000 1.151 457 L CA -0.878 53.946 54.840 -0.028 0.000 0.806 457 L CB 0.335 42.376 42.059 -0.030 0.000 1.261 457 L HN 0.054 nan 8.230 nan 0.000 0.484 458 D N 0.114 120.504 120.400 -0.018 0.000 2.470 458 D HA 0.056 4.695 4.640 -0.000 0.000 0.226 458 D C 0.951 177.242 176.300 -0.016 0.000 1.196 458 D CA -0.050 53.941 54.000 -0.015 0.000 0.979 458 D CB 0.634 41.428 40.800 -0.010 0.000 1.059 458 D HN 0.466 nan 8.370 nan 0.000 0.515 459 T N 2.071 116.614 114.554 -0.019 0.000 2.481 459 T HA -0.254 4.096 4.350 -0.000 0.000 0.252 459 T C 2.043 176.733 174.700 -0.016 0.000 1.242 459 T CA 2.213 64.301 62.100 -0.020 0.000 1.170 459 T CB -0.436 68.420 68.868 -0.021 0.000 0.860 459 T HN 0.319 nan 8.240 nan 0.000 0.422 460 V N 1.280 121.186 119.914 -0.013 0.000 2.233 460 V HA -0.289 3.831 4.120 -0.000 0.000 0.252 460 V C 2.469 178.559 176.094 -0.007 0.000 1.063 460 V CA 2.600 64.894 62.300 -0.010 0.000 1.032 460 V CB -0.734 31.084 31.823 -0.008 0.000 0.645 460 V HN 0.581 nan 8.190 nan 0.000 0.446 461 E N -0.791 119.405 120.200 -0.006 0.000 2.047 461 E HA -0.282 4.068 4.350 -0.000 0.000 0.191 461 E C 2.159 178.757 176.600 -0.003 0.000 0.987 461 E CA 1.695 58.093 56.400 -0.004 0.000 0.799 461 E CB -0.182 29.516 29.700 -0.003 0.000 0.752 461 E HN 0.464 nan 8.360 nan 0.000 0.449 462 M N 0.542 120.138 119.600 -0.007 0.000 2.082 462 M HA -0.169 4.311 4.480 -0.000 0.000 0.258 462 M C 2.026 178.322 176.300 -0.007 0.000 1.069 462 M CA 1.281 56.577 55.300 -0.007 0.000 1.102 462 M CB -0.396 32.196 32.600 -0.013 0.000 1.336 462 M HN 0.276 nan 8.290 nan 0.000 0.404 463 L N -0.609 120.608 121.223 -0.011 0.000 2.353 463 L HA -0.086 4.254 4.340 -0.000 0.000 0.220 463 L C 1.956 178.822 176.870 -0.006 0.000 1.133 463 L CA 1.125 55.957 54.840 -0.013 0.000 0.798 463 L CB -0.439 41.610 42.059 -0.017 0.000 0.922 463 L HN 0.213 nan 8.230 nan 0.000 0.445 464 V N -1.195 118.718 119.914 -0.001 0.000 2.649 464 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 464 V C 2.311 178.411 176.094 0.011 0.000 1.054 464 V CA 1.290 63.593 62.300 0.005 0.000 1.073 464 V CB -0.395 31.431 31.823 0.005 0.000 0.699 464 V HN 0.417 nan 8.190 nan 0.000 0.463 465 K N -0.017 120.389 120.400 0.011 0.000 2.167 465 K HA -0.041 4.278 4.320 -0.000 0.000 0.203 465 K C 1.979 178.595 176.600 0.026 0.000 1.052 465 K CA 1.105 57.402 56.287 0.017 0.000 0.956 465 K CB -0.167 32.342 32.500 0.014 0.000 0.735 465 K HN 0.373 nan 8.250 nan 0.000 0.451 466 V N 1.679 121.606 119.914 0.021 0.000 2.453 466 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 466 V C 2.072 178.193 176.094 0.045 0.000 1.048 466 V CA 1.333 63.651 62.300 0.030 0.000 1.049 466 V CB -0.434 31.393 31.823 0.006 0.000 0.672 466 V HN 0.256 nan 8.190 nan 0.000 0.457 467 I N 0.364 120.948 120.570 0.024 0.000 2.928 467 I HA -0.129 4.041 4.170 -0.000 0.000 0.266 467 I C 2.536 178.695 176.117 0.070 0.000 1.234 467 I CA 1.245 62.566 61.300 0.034 0.000 1.483 467 I CB -0.196 37.811 38.000 0.011 0.000 1.097 467 I HN 0.390 nan 8.210 nan 0.000 0.455 468 S N 0.892 116.626 115.700 0.056 0.000 2.327 468 S HA -0.125 4.345 4.470 -0.000 0.000 0.213 468 S C 1.955 176.592 174.600 0.062 0.000 1.032 468 S CA 0.823 59.053 58.200 0.050 0.000 0.960 468 S CB -0.079 63.141 63.200 0.033 0.000 0.900 468 S HN 0.264 nan 8.310 nan 0.000 0.469 469 E N 0.615 120.851 120.200 0.061 0.000 2.086 469 E HA -0.242 4.108 4.350 -0.000 0.000 0.200 469 E C 1.915 178.555 176.600 0.066 0.000 1.012 469 E CA 1.829 58.261 56.400 0.055 0.000 0.812 469 E CB -0.864 28.869 29.700 0.055 0.000 0.743 469 E HN 0.781 nan 8.360 nan 0.000 0.453 470 H N 0.772 119.847 119.070 0.008 0.000 2.353 470 H HA -0.027 4.529 4.556 -0.000 0.000 0.300 470 H C 1.928 177.262 175.328 0.010 0.000 1.090 470 H CA 1.944 57.997 56.048 0.009 0.000 1.327 470 H CB 0.199 29.966 29.762 0.010 0.000 1.383 470 H HN -0.003 nan 8.280 nan 0.000 0.508 471 K N -0.397 120.076 120.400 0.121 0.000 2.211 471 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 471 K C 1.573 178.179 176.600 0.010 0.000 1.050 471 K CA 1.016 57.341 56.287 0.063 0.000 0.945 471 K CB 0.200 32.741 32.500 0.069 0.000 0.732 471 K HN 0.400 nan 8.250 nan 0.000 0.451 472 N N 0.565 119.268 118.700 0.005 0.000 2.349 472 N HA -0.001 4.739 4.740 -0.000 0.000 0.202 472 N C 1.723 177.214 175.510 -0.032 0.000 1.041 472 N CA 0.817 53.862 53.050 -0.008 0.000 0.970 472 N CB -0.213 38.276 38.487 0.003 0.000 1.173 472 N HN 0.033 nan 8.380 nan 0.000 0.493 473 R N 0.681 121.159 120.500 -0.036 0.000 2.120 473 R HA 0.081 4.421 4.340 -0.000 0.000 0.234 473 R C 0.981 177.223 176.300 -0.096 0.000 1.123 473 R CA 0.915 56.985 56.100 -0.050 0.000 0.975 473 R CB -0.145 30.137 30.300 -0.030 0.000 0.866 473 R HN 0.380 nan 8.270 nan 0.000 0.446 474 G N -0.765 107.925 108.800 -0.183 0.000 2.343 474 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.465 474 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.465 474 G C -0.121 174.471 174.900 -0.513 0.000 1.282 474 G CA -0.425 44.514 45.100 -0.269 0.000 0.996 474 G HN 0.065 nan 8.290 nan 0.000 0.521 475 L N 0.946 121.940 121.223 -0.382 0.000 2.189 475 L HA 0.133 4.473 4.340 -0.000 0.000 0.214 475 L C 2.527 179.363 176.870 -0.057 0.000 1.097 475 L CA 3.593 58.273 54.840 -0.267 0.000 0.764 475 L CB -0.692 41.332 42.059 -0.059 0.000 0.900 475 L HN 1.332 nan 8.230 nan 0.000 0.436 476 G N -0.580 108.183 108.800 -0.062 0.000 2.848 476 G HA2 0.089 4.049 3.960 -0.000 0.000 0.208 476 G HA3 0.089 4.049 3.960 -0.000 0.000 0.208 476 G C 0.656 175.588 174.900 0.053 0.000 1.152 476 G CA -0.250 44.858 45.100 0.014 0.000 0.789 476 G HN 0.244 nan 8.290 nan 0.000 0.531 477 I N 1.529 122.148 120.570 0.082 0.000 2.342 477 I HA 0.525 4.694 4.170 -0.000 0.000 0.291 477 I C 0.757 177.016 176.117 0.237 0.000 1.010 477 I CA -0.326 61.065 61.300 0.153 0.000 1.308 477 I CB 0.583 38.661 38.000 0.130 0.000 1.400 477 I HN 0.040 nan 8.210 nan 0.000 0.488 478 G N 6.316 115.187 108.800 0.117 0.000 2.827 478 G HA2 0.694 4.653 3.960 -0.000 0.000 0.296 478 G HA3 0.694 4.653 3.960 -0.000 0.000 0.296 478 G C -0.988 173.938 174.900 0.042 0.000 1.362 478 G CA -0.703 44.438 45.100 0.068 0.000 0.809 478 G HN 0.373 nan 8.290 nan 0.000 0.522 479 I N 0.499 121.080 120.570 0.019 0.000 2.440 479 I HA 0.302 4.472 4.170 -0.000 0.000 0.294 479 I C -0.819 175.308 176.117 0.017 0.000 0.995 479 I CA -0.372 60.933 61.300 0.009 0.000 1.306 479 I CB 1.768 39.760 38.000 -0.013 0.000 1.407 479 I HN 0.270 nan 8.210 nan 0.000 0.501 480 D N 4.930 125.344 120.400 0.023 0.000 2.438 480 D HA 0.156 4.795 4.640 -0.000 0.000 0.257 480 D C 0.836 177.140 176.300 0.007 0.000 1.148 480 D CA -0.558 53.472 54.000 0.050 0.000 0.902 480 D CB 1.432 42.285 40.800 0.088 0.000 1.062 480 D HN 0.360 nan 8.370 nan 0.000 0.518 481 V N 1.547 121.406 119.914 -0.092 0.000 2.794 481 V HA -0.162 3.958 4.120 -0.000 0.000 0.260 481 V C 1.399 177.337 176.094 -0.261 0.000 1.103 481 V CA 1.263 63.435 62.300 -0.213 0.000 1.125 481 V CB -1.134 30.482 31.823 -0.345 0.000 0.702 481 V HN 0.306 nan 8.190 nan 0.000 0.494 482 F N 0.178 120.125 119.950 -0.005 0.000 2.569 482 F HA 0.304 4.831 4.527 -0.000 0.000 0.295 482 F C 2.330 178.128 175.800 -0.004 0.000 1.115 482 F CA 1.116 59.112 58.000 -0.006 0.000 1.450 482 F CB -0.038 38.958 39.000 -0.006 0.000 1.107 482 F HN 0.218 nan 8.300 nan 0.000 0.563 483 E N -0.661 119.627 120.200 0.147 0.000 2.340 483 E HA 0.201 4.551 4.350 -0.000 0.000 0.198 483 E C 1.925 178.551 176.600 0.044 0.000 0.961 483 E CA 0.837 57.290 56.400 0.088 0.000 0.905 483 E CB 0.059 29.805 29.700 0.076 0.000 0.884 483 E HN 0.199 nan 8.360 nan 0.000 0.491 484 G N 1.022 109.834 108.800 0.021 0.000 2.184 484 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.264 484 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.264 484 G C 0.162 175.065 174.900 0.005 0.000 0.975 484 G CA 1.091 46.192 45.100 0.001 0.000 0.642 484 G HN 0.394 nan 8.290 nan 0.000 0.536 485 K N -1.008 119.402 120.400 0.015 0.000 2.466 485 K HA 0.760 5.079 4.320 -0.000 0.000 0.260 485 K C -3.363 173.250 176.600 0.022 0.000 1.011 485 K CA -2.455 53.842 56.287 0.016 0.000 0.871 485 K CB 2.002 34.514 32.500 0.019 0.000 1.404 485 K HN -0.020 nan 8.250 nan 0.000 0.450 486 P HA 0.238 nan 4.420 nan 0.000 0.272 486 P C -1.249 176.073 177.300 0.036 0.000 1.240 486 P CA -0.273 62.846 63.100 0.032 0.000 0.791 486 P CB 0.967 32.689 31.700 0.036 0.000 0.978 487 A N 0.364 123.210 122.820 0.043 0.000 2.564 487 A HA 0.426 4.746 4.320 -0.000 0.000 0.291 487 A C -1.506 176.103 177.584 0.042 0.000 1.102 487 A CA -0.455 51.605 52.037 0.040 0.000 0.660 487 A CB 0.812 19.837 19.000 0.042 0.000 1.283 487 A HN 0.455 nan 8.150 nan 0.000 0.430 488 D N 1.689 122.108 120.400 0.032 0.000 2.365 488 D HA 0.247 4.887 4.640 -0.000 0.000 0.237 488 D C 0.929 177.248 176.300 0.031 0.000 1.190 488 D CA -0.406 53.610 54.000 0.027 0.000 0.867 488 D CB 0.602 41.410 40.800 0.013 0.000 1.050 488 D HN 0.371 nan 8.370 nan 0.000 0.491 489 M N 3.322 122.946 119.600 0.040 0.000 2.213 489 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 489 M C 1.652 177.969 176.300 0.029 0.000 1.062 489 M CA 0.719 56.043 55.300 0.040 0.000 1.105 489 M CB -0.503 32.126 32.600 0.048 0.000 1.385 489 M HN 0.398 nan 8.290 nan 0.000 0.417 490 L N 0.449 121.686 121.223 0.022 0.000 2.017 490 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 490 L C 2.328 179.204 176.870 0.010 0.000 1.073 490 L CA 1.730 56.578 54.840 0.014 0.000 0.745 490 L CB -1.088 40.977 42.059 0.009 0.000 0.894 490 L HN 0.355 nan 8.230 nan 0.000 0.432 491 E N -0.317 119.889 120.200 0.010 0.000 2.209 491 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 491 E C 1.378 177.982 176.600 0.006 0.000 0.993 491 E CA 0.813 57.217 56.400 0.007 0.000 0.819 491 E CB -0.011 29.693 29.700 0.007 0.000 0.745 491 E HN 0.395 nan 8.360 nan 0.000 0.477 492 K N -0.571 119.836 120.400 0.012 0.000 2.404 492 K HA 0.107 4.426 4.320 -0.000 0.000 0.194 492 K C 1.194 177.798 176.600 0.006 0.000 1.023 492 K CA 0.668 56.961 56.287 0.010 0.000 1.094 492 K CB 0.785 33.299 32.500 0.023 0.000 0.841 492 K HN 0.228 nan 8.250 nan 0.000 0.523 493 G N 2.323 111.128 108.800 0.008 0.000 2.180 493 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 493 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 493 G C 0.237 175.145 174.900 0.012 0.000 0.989 493 G CA 0.182 45.285 45.100 0.006 0.000 0.692 493 G HN 0.394 nan 8.290 nan 0.000 0.526 494 I N 1.969 122.553 120.570 0.023 0.000 2.278 494 I HA 0.384 4.554 4.170 -0.000 0.000 0.300 494 I C 1.030 177.167 176.117 0.032 0.000 1.174 494 I CA -0.211 61.111 61.300 0.036 0.000 1.347 494 I CB -0.329 37.706 38.000 0.058 0.000 1.473 494 I HN 0.321 nan 8.210 nan 0.000 0.595 495 I N 2.905 123.490 120.570 0.024 0.000 3.108 495 I HA 0.756 4.925 4.170 -0.000 0.000 0.312 495 I C -0.728 175.399 176.117 0.017 0.000 1.095 495 I CA -0.775 60.537 61.300 0.020 0.000 1.000 495 I CB 2.380 40.388 38.000 0.014 0.000 1.229 495 I HN 0.393 nan 8.210 nan 0.000 0.454 496 E N 1.515 121.724 120.200 0.014 0.000 2.408 496 E HA 0.566 4.916 4.350 -0.000 0.000 0.275 496 E C -3.089 173.515 176.600 0.007 0.000 0.935 496 E CA -2.297 54.109 56.400 0.011 0.000 0.775 496 E CB 1.950 31.657 29.700 0.011 0.000 1.277 496 E HN 0.258 nan 8.360 nan 0.000 0.455 497 P HA -0.088 nan 4.420 nan 0.000 0.264 497 P C 0.809 178.111 177.300 0.004 0.000 1.183 497 P CA -0.232 62.869 63.100 0.001 0.000 0.763 497 P CB 0.461 32.161 31.700 0.000 0.000 0.807 498 L N 4.393 125.618 121.223 0.003 0.000 2.353 498 L HA -0.129 4.211 4.340 -0.000 0.000 0.220 498 L C 1.784 178.657 176.870 0.005 0.000 1.133 498 L CA 1.869 56.712 54.840 0.005 0.000 0.798 498 L CB -0.614 41.447 42.059 0.004 0.000 0.922 498 L HN 0.438 nan 8.230 nan 0.000 0.445 499 R N -0.903 119.599 120.500 0.004 0.000 2.127 499 R HA -0.060 4.279 4.340 -0.000 0.000 0.217 499 R C 2.176 178.478 176.300 0.004 0.000 1.074 499 R CA 1.027 57.130 56.100 0.005 0.000 0.991 499 R CB 0.067 30.370 30.300 0.005 0.000 0.895 499 R HN 0.291 nan 8.270 nan 0.000 0.450 500 V N 1.915 121.831 119.914 0.003 0.000 2.287 500 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 500 V C 2.304 178.399 176.094 0.001 0.000 1.053 500 V CA 1.785 64.086 62.300 0.002 0.000 1.027 500 V CB -0.375 31.449 31.823 0.002 0.000 0.646 500 V HN 0.276 nan 8.190 nan 0.000 0.447 501 K N 0.252 120.654 120.400 0.003 0.000 2.025 501 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 501 K C 2.142 178.747 176.600 0.008 0.000 1.049 501 K CA 1.293 57.583 56.287 0.004 0.000 0.933 501 K CB -0.421 32.083 32.500 0.008 0.000 0.714 501 K HN 0.440 nan 8.250 nan 0.000 0.438 502 K N 0.747 121.152 120.400 0.008 0.000 2.103 502 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 502 K C 2.246 178.853 176.600 0.011 0.000 1.048 502 K CA 1.371 57.664 56.287 0.010 0.000 0.930 502 K CB -0.006 32.499 32.500 0.007 0.000 0.716 502 K HN 0.008 nan 8.250 nan 0.000 0.444 503 Q N 0.528 120.332 119.800 0.007 0.000 2.187 503 Q HA 0.031 4.371 4.340 -0.000 0.000 0.199 503 Q C 1.754 177.756 176.000 0.003 0.000 0.957 503 Q CA 1.366 57.173 55.803 0.006 0.000 0.857 503 Q CB -0.061 28.679 28.738 0.004 0.000 0.929 503 Q HN 0.274 nan 8.270 nan 0.000 0.453 504 A N 0.694 123.512 122.820 -0.002 0.000 1.858 504 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 504 A C 1.927 179.503 177.584 -0.012 0.000 1.190 504 A CA 1.516 53.546 52.037 -0.012 0.000 0.617 504 A CB -0.743 18.246 19.000 -0.018 0.000 0.827 504 A HN 0.433 nan 8.150 nan 0.000 0.443 505 I N 0.065 120.638 120.570 0.005 0.000 2.208 505 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 505 I C 2.327 178.471 176.117 0.045 0.000 1.097 505 I CA 1.703 63.023 61.300 0.033 0.000 1.363 505 I CB -1.216 36.829 38.000 0.074 0.000 1.051 505 I HN 0.394 nan 8.210 nan 0.000 0.413 506 K N 0.569 120.989 120.400 0.034 0.000 1.985 506 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 506 K C 2.337 178.952 176.600 0.025 0.000 1.047 506 K CA 1.837 58.145 56.287 0.034 0.000 0.932 506 K CB -0.178 32.335 32.500 0.023 0.000 0.716 506 K HN 0.181 nan 8.250 nan 0.000 0.439 507 S N 0.972 116.678 115.700 0.010 0.000 2.353 507 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 507 S C 2.135 176.731 174.600 -0.006 0.000 1.035 507 S CA 1.361 59.563 58.200 0.003 0.000 1.025 507 S CB -0.357 62.841 63.200 -0.004 0.000 0.902 507 S HN 0.454 nan 8.310 nan 0.000 0.440 508 A N 2.135 124.939 122.820 -0.027 0.000 1.841 508 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 508 A C 2.425 179.974 177.584 -0.058 0.000 1.199 508 A CA 2.517 54.516 52.037 -0.063 0.000 0.621 508 A CB -1.358 17.573 19.000 -0.116 0.000 0.835 508 A HN 0.651 nan 8.150 nan 0.000 0.445 509 S N -0.107 115.570 115.700 -0.038 0.000 2.400 509 S HA -0.200 4.270 4.470 -0.000 0.000 0.232 509 S C 1.657 176.303 174.600 0.077 0.000 1.025 509 S CA 1.442 59.657 58.200 0.026 0.000 0.993 509 S CB -0.547 62.760 63.200 0.179 0.000 0.808 509 S HN 0.636 nan 8.310 nan 0.000 0.478 510 E N 1.928 122.162 120.200 0.057 0.000 2.051 510 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 510 E C 2.549 179.181 176.600 0.053 0.000 0.991 510 E CA 1.157 57.592 56.400 0.059 0.000 0.799 510 E CB -0.507 29.217 29.700 0.040 0.000 0.748 510 E HN 0.679 nan 8.360 nan 0.000 0.449 511 A N 1.946 124.785 122.820 0.033 0.000 1.845 511 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 511 A C 2.499 180.108 177.584 0.043 0.000 1.195 511 A CA 2.083 54.136 52.037 0.027 0.000 0.616 511 A CB -0.851 18.154 19.000 0.007 0.000 0.832 511 A HN 0.283 nan 8.150 nan 0.000 0.443 512 A N 0.004 122.850 122.820 0.043 0.000 1.884 512 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 512 A C 2.143 179.812 177.584 0.142 0.000 1.197 512 A CA 1.912 54.000 52.037 0.085 0.000 0.637 512 A CB -0.796 18.243 19.000 0.066 0.000 0.827 512 A HN 0.535 nan 8.150 nan 0.000 0.450 513 I N -1.026 119.643 120.570 0.165 0.000 2.394 513 I HA -0.254 3.915 4.170 -0.000 0.000 0.251 513 I C 2.702 178.876 176.117 0.095 0.000 1.136 513 I CA 1.564 62.961 61.300 0.162 0.000 1.425 513 I CB -0.259 37.843 38.000 0.171 0.000 1.079 513 I HN 0.493 nan 8.210 nan 0.000 0.425 514 M N 0.776 120.420 119.600 0.073 0.000 2.117 514 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 514 M C 2.325 178.651 176.300 0.043 0.000 1.065 514 M CA 2.014 57.345 55.300 0.051 0.000 1.114 514 M CB -0.001 32.623 32.600 0.040 0.000 1.361 514 M HN 0.142 nan 8.290 nan 0.000 0.408 515 I N 0.403 121.000 120.570 0.046 0.000 2.163 515 I HA -0.309 3.860 4.170 -0.000 0.000 0.240 515 I C 2.115 178.253 176.117 0.034 0.000 1.081 515 I CA 1.047 62.370 61.300 0.038 0.000 1.353 515 I CB -0.395 37.628 38.000 0.039 0.000 1.054 515 I HN 0.314 nan 8.210 nan 0.000 0.407 516 L N 0.387 121.637 121.223 0.045 0.000 2.450 516 L HA -0.200 4.140 4.340 -0.000 0.000 0.225 516 L C 2.330 179.207 176.870 0.012 0.000 1.145 516 L CA 1.143 55.998 54.840 0.025 0.000 0.801 516 L CB -0.530 41.550 42.059 0.035 0.000 0.924 516 L HN 0.258 nan 8.230 nan 0.000 0.447 517 R N -0.567 119.948 120.500 0.025 0.000 2.265 517 R HA 0.225 4.565 4.340 -0.000 0.000 0.194 517 R C 0.456 176.765 176.300 0.016 0.000 0.931 517 R CA -0.003 56.110 56.100 0.022 0.000 1.032 517 R CB 0.383 30.703 30.300 0.033 0.000 0.980 517 R HN 0.248 nan 8.270 nan 0.000 0.497 518 I N 3.174 123.754 120.570 0.017 0.000 2.322 518 I HA -0.025 4.145 4.170 -0.000 0.000 0.292 518 I C 0.598 176.724 176.117 0.015 0.000 1.060 518 I CA 0.006 61.317 61.300 0.018 0.000 1.309 518 I CB 0.867 38.879 38.000 0.021 0.000 1.415 518 I HN 0.084 nan 8.210 nan 0.000 0.492 519 D N 4.405 124.813 120.400 0.014 0.000 2.424 519 D HA 0.112 4.752 4.640 -0.000 0.000 0.220 519 D C -0.323 175.995 176.300 0.030 0.000 1.150 519 D CA -0.012 53.995 54.000 0.012 0.000 0.831 519 D CB 0.411 41.210 40.800 -0.002 0.000 0.981 519 D HN 0.444 nan 8.370 nan 0.000 0.500 520 D N -0.316 120.109 120.400 0.041 0.000 2.746 520 D HA 0.204 4.843 4.640 -0.000 0.000 0.211 520 D C -1.754 174.586 176.300 0.066 0.000 1.242 520 D CA -0.489 53.546 54.000 0.058 0.000 0.790 520 D CB 1.902 42.725 40.800 0.038 0.000 1.744 520 D HN -0.174 nan 8.370 nan 0.000 0.520 521 V N 4.492 124.472 119.914 0.110 0.000 2.487 521 V HA 0.582 4.702 4.120 -0.000 0.000 0.298 521 V C 0.061 176.228 176.094 0.121 0.000 1.028 521 V CA -0.590 61.769 62.300 0.099 0.000 0.860 521 V CB 1.655 33.531 31.823 0.089 0.000 0.991 521 V HN 0.523 nan 8.190 nan 0.000 0.427 522 I N 4.452 125.062 120.570 0.065 0.000 2.495 522 I HA 0.709 4.879 4.170 -0.000 0.000 0.277 522 I C 0.185 176.323 176.117 0.035 0.000 1.045 522 I CA -0.329 61.003 61.300 0.053 0.000 1.135 522 I CB 1.515 39.531 38.000 0.028 0.000 1.241 522 I HN 0.677 nan 8.210 nan 0.000 0.469 523 A N 3.823 126.672 122.820 0.048 0.000 2.337 523 A HA 0.918 5.238 4.320 -0.000 0.000 0.331 523 A C 0.460 178.060 177.584 0.026 0.000 1.137 523 A CA -0.067 51.985 52.037 0.025 0.000 0.807 523 A CB 1.686 20.694 19.000 0.013 0.000 1.250 523 A HN 0.748 nan 8.150 nan 0.000 0.468 524 A N 0.717 123.545 122.820 0.013 0.000 1.963 524 A HA 0.497 4.817 4.320 -0.000 0.000 0.211 524 A C 0.510 178.101 177.584 0.013 0.000 1.380 524 A CA 0.868 52.911 52.037 0.011 0.000 0.690 524 A CB 0.021 19.024 19.000 0.005 0.000 1.060 524 A HN 0.507 nan 8.150 nan 0.000 0.498 525 K N -0.192 120.213 120.400 0.008 0.000 2.646 525 K HA 0.755 5.075 4.320 -0.000 0.000 0.210 525 K C -0.855 175.748 176.600 0.005 0.000 1.020 525 K CA 0.724 57.015 56.287 0.008 0.000 1.040 525 K CB 1.375 33.878 32.500 0.005 0.000 1.253 525 K HN 0.611 nan 8.250 nan 0.000 0.532 526 A N 0.000 122.825 122.820 0.009 0.000 2.254 526 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 526 A CA 0.000 52.039 52.037 0.003 0.000 0.836 526 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486