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 2wyo_1_C DATA FIRST_RESID -1 DATA SEQUENCE GHMVLKLLLE LGAERYAEQF AAKCHELGMV MKESAGPGRV PVPVTLQPSM DATA SEQUENCE ISRGEFGTLC CMQPLWNEAV DNTARNFTFL RDALQETAAS DVNFTGKLLN DATA SEQUENCE MLQEVYLSGG PFQQLMLGIF RTDYMREGVX XXXXXTTASR WKNVEINTIS DATA SEQUENCE CSFAGLSPLI TEFHQHIAAY LQVLQKARGK EDXXXXENMS WIWGKGNCRL DATA SEQUENCE ERSVSGDVVP KAIADAVRAW VEQQKFASLR ASWEQFQQNX XXXXXXXXLG DATA SEQUENCE VLDTAPVVLV VVQENERNTA DQYALLMRVL EEHRIRFIFR TLQELHLSLK DATA SEQUENCE LHSISPEQPP LAVVDGHYPI AVAYFRSTYV PEDFPTDATW AARLSLERSS DATA SEQUENCE AIKCPSIPYH LLTFKKLQQL LCDVDRVLVP VAFCGDSDKA GLLQRHFVPQ DATA SEQUENCE YSLNPKEVGE EAVEKXXXDV LQRPXXXXXX XXLEGGGNLL SGEXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXYVVM SRIQFHVSTG SLLARGDVVQ LERNMCSEVG DATA SEQUENCE IFGVILSAAK GSSVGTNGSS VLFNTFAGYT VRSKPADXXX XXXXXGVAAL DATA SEQUENCE DSLAVVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 -1 G C 0.000 174.882 174.900 -0.030 0.000 0.946 -1 G CA 0.000 45.034 45.100 -0.109 0.000 0.502 0 H N 0.419 119.524 119.070 0.060 0.000 2.486 0 H HA 0.389 4.947 4.556 0.004 0.000 0.284 0 H C 1.880 177.241 175.328 0.055 0.000 1.103 0 H CA -0.605 55.476 56.048 0.055 0.000 1.089 0 H CB 0.536 30.324 29.762 0.042 0.000 1.603 0 H HN 0.159 nan 8.280 nan 0.000 0.557 1 M N -0.167 119.536 119.600 0.171 0.000 2.193 1 M HA -0.073 4.409 4.480 0.004 0.000 0.265 1 M C 2.159 178.525 176.300 0.111 0.000 1.071 1 M CA 0.679 56.056 55.300 0.129 0.000 1.140 1 M CB -0.275 32.401 32.600 0.125 0.000 1.369 1 M HN 0.096 nan 8.290 nan 0.000 0.423 2 V N 0.728 120.732 119.914 0.150 0.000 2.255 2 V HA -0.274 3.848 4.120 0.004 0.000 0.247 2 V C 2.448 178.566 176.094 0.040 0.000 1.051 2 V CA 1.595 63.969 62.300 0.123 0.000 1.018 2 V CB -0.869 31.084 31.823 0.215 0.000 0.641 2 V HN 0.357 nan 8.190 nan 0.000 0.445 3 L N 0.152 121.403 121.223 0.046 0.000 2.127 3 L HA -0.172 4.170 4.340 0.004 0.000 0.211 3 L C 2.325 179.150 176.870 -0.073 0.000 1.089 3 L CA 2.035 56.840 54.840 -0.059 0.000 0.757 3 L CB -0.902 41.148 42.059 -0.014 0.000 0.899 3 L HN 0.295 nan 8.230 nan 0.000 0.434 4 K N -1.270 119.130 120.400 -0.001 0.000 2.031 4 K HA -0.105 4.217 4.320 0.004 0.000 0.205 4 K C 1.991 178.579 176.600 -0.021 0.000 1.049 4 K CA 0.867 57.156 56.287 0.002 0.000 0.939 4 K CB -0.016 32.510 32.500 0.044 0.000 0.717 4 K HN 0.240 nan 8.250 nan 0.000 0.438 5 L N 1.331 122.541 121.223 -0.022 0.000 2.046 5 L HA -0.187 4.156 4.340 0.004 0.000 0.208 5 L C 2.430 179.247 176.870 -0.087 0.000 1.077 5 L CA 1.204 56.018 54.840 -0.044 0.000 0.747 5 L CB -1.122 40.910 42.059 -0.045 0.000 0.896 5 L HN 0.248 nan 8.230 nan 0.000 0.432 6 L N -0.530 120.615 121.223 -0.129 0.000 1.971 6 L HA -0.241 4.102 4.340 0.004 0.000 0.215 6 L C 2.607 179.405 176.870 -0.119 0.000 1.072 6 L CA 1.699 56.425 54.840 -0.191 0.000 0.758 6 L CB -1.118 40.715 42.059 -0.377 0.000 0.889 6 L HN 0.173 nan 8.230 nan 0.000 0.433 7 L N -0.534 120.627 121.223 -0.104 0.000 2.056 7 L HA -0.195 4.147 4.340 0.004 0.000 0.207 7 L C 2.378 179.247 176.870 -0.002 0.000 1.078 7 L CA 1.699 56.531 54.840 -0.012 0.000 0.749 7 L CB -0.690 41.370 42.059 0.002 0.000 0.901 7 L HN 0.509 nan 8.230 nan 0.000 0.433 8 E N -0.194 119.995 120.200 -0.019 0.000 2.435 8 E HA -0.145 4.207 4.350 0.004 0.000 0.195 8 E C 1.485 178.074 176.600 -0.019 0.000 1.029 8 E CA 0.348 56.741 56.400 -0.011 0.000 0.865 8 E CB 0.136 29.832 29.700 -0.007 0.000 0.833 8 E HN 0.275 nan 8.360 nan 0.000 0.510 9 L N 0.980 122.179 121.223 -0.039 0.000 2.629 9 L HA 0.299 4.641 4.340 0.004 0.000 0.230 9 L C 1.311 178.161 176.870 -0.033 0.000 1.151 9 L CA 1.008 55.819 54.840 -0.048 0.000 0.924 9 L CB -0.095 41.910 42.059 -0.090 0.000 1.137 9 L HN 0.402 nan 8.230 nan 0.000 0.457 10 G N -0.508 108.289 108.800 -0.006 0.000 2.153 10 G HA2 -0.260 3.703 3.960 0.004 0.000 0.252 10 G HA3 -0.260 3.703 3.960 0.004 0.000 0.252 10 G C 0.580 175.508 174.900 0.046 0.000 0.994 10 G CA 0.235 45.347 45.100 0.019 0.000 0.698 10 G HN 0.677 nan 8.290 nan 0.000 0.521 11 A N -0.212 122.646 122.820 0.062 0.000 2.350 11 A HA 0.681 5.003 4.320 0.004 0.000 0.293 11 A C 0.967 178.700 177.584 0.249 0.000 1.231 11 A CA 0.600 52.730 52.037 0.155 0.000 0.883 11 A CB 0.289 19.391 19.000 0.171 0.000 1.133 11 A HN 0.476 nan 8.150 nan 0.000 0.533 12 E N 1.650 121.945 120.200 0.158 0.000 2.389 12 E HA 0.025 4.377 4.350 0.004 0.000 0.199 12 E C 0.864 177.390 176.600 -0.123 0.000 0.978 12 E CA 0.218 56.670 56.400 0.087 0.000 0.912 12 E CB 0.324 30.043 29.700 0.031 0.000 0.907 12 E HN 0.725 nan 8.360 nan 0.000 0.494 13 R N 0.638 121.094 120.500 -0.073 0.000 2.515 13 R HA 0.078 4.420 4.340 0.004 0.000 0.294 13 R C 1.118 177.283 176.300 -0.224 0.000 1.021 13 R CA -0.153 55.839 56.100 -0.181 0.000 1.081 13 R CB 0.037 30.292 30.300 -0.076 0.000 1.263 13 R HN 0.266 nan 8.270 nan 0.000 0.557 14 Y N -1.408 118.813 120.300 -0.132 0.000 2.114 14 Y HA -0.180 4.372 4.550 0.004 0.000 0.282 14 Y C 2.230 177.766 175.900 -0.608 0.000 1.165 14 Y CA 1.180 59.037 58.100 -0.405 0.000 1.148 14 Y CB -0.730 37.503 38.460 -0.378 0.000 0.972 14 Y HN -0.014 nan 8.280 nan 0.000 0.504 15 A N 0.800 123.249 122.820 -0.618 0.000 1.933 15 A HA -0.202 4.120 4.320 0.004 0.000 0.218 15 A C 2.070 179.592 177.584 -0.104 0.000 1.175 15 A CA 1.730 53.617 52.037 -0.250 0.000 0.628 15 A CB -0.759 18.102 19.000 -0.232 0.000 0.814 15 A HN 0.673 nan 8.150 nan 0.000 0.444 16 E N -0.720 119.392 120.200 -0.146 0.000 2.038 16 E HA -0.284 4.069 4.350 0.004 0.000 0.195 16 E C 2.266 178.869 176.600 0.005 0.000 1.000 16 E CA 1.459 57.828 56.400 -0.052 0.000 0.803 16 E CB -0.236 29.423 29.700 -0.068 0.000 0.750 16 E HN 0.805 nan 8.360 nan 0.000 0.448 17 Q N 0.005 119.780 119.800 -0.043 0.000 2.045 17 Q HA -0.210 4.132 4.340 0.004 0.000 0.206 17 Q C 1.951 178.088 176.000 0.228 0.000 0.991 17 Q CA 1.681 57.500 55.803 0.027 0.000 0.851 17 Q CB -0.089 28.599 28.738 -0.084 0.000 0.911 17 Q HN 0.207 nan 8.270 nan 0.000 0.418 18 F N 0.009 120.013 119.950 0.090 0.000 2.269 18 F HA -0.032 4.497 4.527 0.003 0.000 0.301 18 F C 2.312 178.236 175.800 0.205 0.000 1.082 18 F CA 0.735 58.869 58.000 0.224 0.000 1.360 18 F CB -1.298 37.933 39.000 0.384 0.000 1.041 18 F HN 0.227 nan 8.300 nan 0.000 0.512 19 A N 0.094 123.088 122.820 0.289 0.000 1.897 19 A HA 0.053 4.375 4.320 0.004 0.000 0.215 19 A C 2.511 180.205 177.584 0.183 0.000 1.181 19 A CA 1.514 53.650 52.037 0.164 0.000 0.620 19 A CB -1.086 18.003 19.000 0.148 0.000 0.821 19 A HN 0.246 nan 8.150 nan 0.000 0.443 20 A N 0.119 123.044 122.820 0.174 0.000 1.908 20 A HA -0.183 4.139 4.320 0.004 0.000 0.218 20 A C 2.070 179.707 177.584 0.087 0.000 1.181 20 A CA 2.420 54.544 52.037 0.144 0.000 0.627 20 A CB -0.389 18.649 19.000 0.064 0.000 0.818 20 A HN 0.442 nan 8.150 nan 0.000 0.445 21 K N -0.189 120.226 120.400 0.025 0.000 2.148 21 K HA -0.067 4.255 4.320 0.004 0.000 0.204 21 K C 1.733 178.360 176.600 0.046 0.000 1.050 21 K CA 1.764 58.023 56.287 -0.046 0.000 0.942 21 K CB -1.232 31.091 32.500 -0.295 0.000 0.724 21 K HN 0.439 nan 8.250 nan 0.000 0.446 22 C N 0.410 119.736 119.300 0.043 0.000 2.413 22 C HA -0.103 4.359 4.460 0.004 0.000 0.276 22 C C 2.334 177.220 174.990 -0.173 0.000 1.248 22 C CA 1.301 60.234 59.018 -0.142 0.000 1.742 22 C CB -1.136 26.431 27.740 -0.288 0.000 2.017 22 C HN 0.606 nan 8.230 nan 0.000 0.481 23 H N -0.086 118.977 119.070 -0.011 0.000 2.363 23 H HA -0.085 4.473 4.556 0.004 0.000 0.301 23 H C 2.245 177.563 175.328 -0.016 0.000 1.074 23 H CA 1.470 57.508 56.048 -0.017 0.000 1.354 23 H CB -0.106 29.648 29.762 -0.013 0.000 1.397 23 H HN 0.552 nan 8.280 nan 0.000 0.516 24 E N 0.503 120.762 120.200 0.097 0.000 2.070 24 E HA -0.192 4.160 4.350 0.004 0.000 0.197 24 E C 1.722 178.338 176.600 0.026 0.000 1.004 24 E CA 1.271 57.699 56.400 0.047 0.000 0.805 24 E CB -0.047 29.666 29.700 0.022 0.000 0.744 24 E HN 0.468 nan 8.360 nan 0.000 0.451 25 L N -0.884 120.346 121.223 0.013 0.000 2.492 25 L HA 0.103 4.445 4.340 0.004 0.000 0.223 25 L C 1.303 178.166 176.870 -0.012 0.000 1.132 25 L CA 0.427 55.268 54.840 0.001 0.000 0.850 25 L CB -0.179 41.882 42.059 0.002 0.000 0.966 25 L HN 0.310 nan 8.230 nan 0.000 0.454 26 G N 1.017 109.808 108.800 -0.014 0.000 2.212 26 G HA2 -0.301 3.661 3.960 0.004 0.000 0.255 26 G HA3 -0.301 3.661 3.960 0.004 0.000 0.255 26 G C 0.127 174.997 174.900 -0.049 0.000 1.062 26 G CA -0.134 44.957 45.100 -0.016 0.000 0.815 26 G HN 0.282 nan 8.290 nan 0.000 0.497 27 M N 0.688 120.226 119.600 -0.102 0.000 2.664 27 M HA 0.488 4.970 4.480 0.004 0.000 0.332 27 M C 0.533 176.734 176.300 -0.165 0.000 1.354 27 M CA -0.289 54.930 55.300 -0.136 0.000 1.399 27 M CB 0.622 33.096 32.600 -0.211 0.000 1.224 27 M HN 0.548 nan 8.290 nan 0.000 0.479 28 V N 0.849 120.704 119.914 -0.098 0.000 3.202 28 V HA 0.862 4.984 4.120 0.004 0.000 0.306 28 V C -0.895 175.179 176.094 -0.034 0.000 1.283 28 V CA -1.208 61.037 62.300 -0.091 0.000 1.065 28 V CB 2.473 34.261 31.823 -0.058 0.000 1.079 28 V HN 0.800 nan 8.190 nan 0.000 0.448 29 M N -0.649 118.940 119.600 -0.017 0.000 2.534 29 M HA 0.606 5.088 4.480 0.004 0.000 0.280 29 M C -1.079 175.225 176.300 0.007 0.000 1.217 29 M CA -0.737 54.561 55.300 -0.003 0.000 0.893 29 M CB 2.241 34.838 32.600 -0.004 0.000 1.730 29 M HN 0.679 nan 8.290 nan 0.000 0.483 30 K N 2.422 122.825 120.400 0.005 0.000 2.368 30 K HA 0.141 4.464 4.320 0.004 0.000 0.282 30 K C -0.187 176.417 176.600 0.006 0.000 1.035 30 K CA -0.093 56.198 56.287 0.007 0.000 0.973 30 K CB 0.751 33.250 32.500 -0.001 0.000 0.957 30 K HN 0.817 nan 8.250 nan 0.000 0.474 31 E N 2.580 122.786 120.200 0.010 0.000 2.390 31 E HA -0.033 4.319 4.350 0.004 0.000 0.261 31 E C 0.405 177.006 176.600 0.002 0.000 1.076 31 E CA -0.237 56.168 56.400 0.008 0.000 0.905 31 E CB 1.478 31.185 29.700 0.012 0.000 0.984 31 E HN 0.582 nan 8.360 nan 0.000 0.427 32 S N 2.354 118.054 115.700 -0.000 0.000 2.365 32 S HA -0.176 4.296 4.470 0.004 0.000 0.225 32 S C 1.036 175.634 174.600 -0.004 0.000 1.039 32 S CA 1.024 59.222 58.200 -0.004 0.000 1.033 32 S CB -0.629 62.569 63.200 -0.004 0.000 0.887 32 S HN 0.685 nan 8.310 nan 0.000 0.447 33 A N 1.418 124.236 122.820 -0.002 0.000 2.476 33 A HA 0.531 4.853 4.320 0.004 0.000 0.275 33 A C 1.344 178.926 177.584 -0.003 0.000 1.133 33 A CA 0.270 52.305 52.037 -0.003 0.000 0.797 33 A CB -1.376 17.622 19.000 -0.002 0.000 1.081 33 A HN 1.244 nan 8.150 nan 0.000 0.510 34 G N 4.012 112.809 108.800 -0.005 0.000 2.596 34 G HA2 -0.256 3.706 3.960 0.004 0.000 0.334 34 G HA3 -0.256 3.706 3.960 0.004 0.000 0.334 34 G C -1.540 173.358 174.900 -0.004 0.000 1.351 34 G CA 0.376 45.473 45.100 -0.005 0.000 0.965 34 G HN 0.831 nan 8.290 nan 0.000 0.533 35 P HA 0.492 nan 4.420 nan 0.000 0.279 35 P C 0.153 177.452 177.300 -0.002 0.000 1.282 35 P CA 1.214 64.311 63.100 -0.004 0.000 0.788 35 P CB 0.795 32.492 31.700 -0.006 0.000 1.139 36 G N -0.282 108.519 108.800 0.001 0.000 2.768 36 G HA2 -0.084 3.879 3.960 0.004 0.000 0.666 36 G HA3 -0.084 3.879 3.960 0.004 0.000 0.666 36 G C -0.509 174.404 174.900 0.022 0.000 1.162 36 G CA -0.806 44.297 45.100 0.005 0.000 1.226 36 G HN 0.537 nan 8.290 nan 0.000 0.535 37 R N 0.012 120.536 120.500 0.040 0.000 2.490 37 R HA 0.683 5.025 4.340 0.004 0.000 0.278 37 R C 0.854 177.238 176.300 0.140 0.000 1.069 37 R CA -0.043 56.097 56.100 0.067 0.000 1.080 37 R CB 1.759 32.099 30.300 0.066 0.000 1.030 37 R HN 0.994 nan 8.270 nan 0.000 0.491 38 V N -0.342 119.637 119.914 0.107 0.000 3.155 38 V HA 0.648 4.770 4.120 0.004 0.000 0.313 38 V C -2.715 173.363 176.094 -0.027 0.000 1.162 38 V CA -3.070 59.304 62.300 0.122 0.000 1.048 38 V CB 2.167 34.029 31.823 0.065 0.000 1.092 38 V HN 0.549 nan 8.190 nan 0.000 0.447 39 P HA 0.355 nan 4.420 nan 0.000 0.274 39 P C -0.211 177.006 177.300 -0.137 0.000 1.231 39 P CA -0.180 62.784 63.100 -0.228 0.000 0.790 39 P CB 0.757 32.307 31.700 -0.250 0.000 0.951 40 V N 0.080 119.899 119.914 -0.158 0.000 3.237 40 V HA 0.307 4.429 4.120 0.004 0.000 0.305 40 V C -2.070 173.947 176.094 -0.127 0.000 1.096 40 V CA -1.768 60.464 62.300 -0.114 0.000 1.130 40 V CB -0.712 31.050 31.823 -0.102 0.000 1.048 40 V HN 0.471 nan 8.190 nan 0.000 0.484 41 P HA 0.463 nan 4.420 nan 0.000 0.287 41 P C -0.739 176.493 177.300 -0.112 0.000 1.281 41 P CA 0.024 63.081 63.100 -0.072 0.000 0.781 41 P CB 1.527 33.206 31.700 -0.035 0.000 0.903 42 V N 3.127 122.976 119.914 -0.107 0.000 3.007 42 V HA 0.642 4.765 4.120 0.004 0.000 0.311 42 V C -0.329 175.797 176.094 0.053 0.000 1.120 42 V CA -0.610 61.614 62.300 -0.126 0.000 0.980 42 V CB 2.280 33.861 31.823 -0.404 0.000 1.033 42 V HN 0.703 nan 8.190 nan 0.000 0.429 43 T N 3.087 117.721 114.554 0.134 0.000 2.913 43 T HA 0.410 4.763 4.350 0.004 0.000 0.297 43 T C 0.940 175.882 174.700 0.403 0.000 1.029 43 T CA -0.320 61.918 62.100 0.231 0.000 1.104 43 T CB 1.046 70.027 68.868 0.189 0.000 0.964 43 T HN 0.657 nan 8.240 nan 0.000 0.532 44 L N 0.341 121.742 121.223 0.297 0.000 2.492 44 L HA 0.157 4.499 4.340 0.004 0.000 0.223 44 L C 0.642 177.564 176.870 0.086 0.000 1.132 44 L CA 0.530 55.542 54.840 0.287 0.000 0.850 44 L CB -0.253 41.987 42.059 0.302 0.000 0.966 44 L HN 0.661 nan 8.230 nan 0.000 0.454 45 Q N -0.782 118.968 119.800 -0.084 0.000 2.389 45 Q HA 0.415 4.757 4.340 0.004 0.000 0.277 45 Q C -2.532 173.049 176.000 -0.698 0.000 1.082 45 Q CA -1.936 53.589 55.803 -0.463 0.000 0.810 45 Q CB 1.808 30.439 28.738 -0.179 0.000 1.374 45 Q HN -0.240 nan 8.270 nan 0.000 0.422 46 P HA 0.135 nan 4.420 nan 0.000 0.274 46 P C -0.696 176.379 177.300 -0.374 0.000 1.246 46 P CA -0.358 62.359 63.100 -0.639 0.000 0.795 46 P CB 0.847 32.110 31.700 -0.729 0.000 1.006 47 S N 0.678 116.284 115.700 -0.157 0.000 2.584 47 S HA 0.402 4.875 4.470 0.004 0.000 0.273 47 S C 0.311 174.855 174.600 -0.094 0.000 1.311 47 S CA -0.217 57.940 58.200 -0.072 0.000 1.034 47 S CB 0.004 63.222 63.200 0.030 0.000 0.939 47 S HN 0.360 nan 8.310 nan 0.000 0.513 48 M N 2.603 122.185 119.600 -0.031 0.000 2.318 48 M HA 0.623 5.105 4.480 0.004 0.000 0.347 48 M C -0.832 175.494 176.300 0.044 0.000 1.175 48 M CA -0.461 54.829 55.300 -0.018 0.000 1.075 48 M CB 0.685 33.289 32.600 0.008 0.000 1.614 48 M HN 0.659 nan 8.290 nan 0.000 0.456 49 I N 1.383 121.962 120.570 0.016 0.000 2.680 49 I HA 0.340 4.512 4.170 0.004 0.000 0.291 49 I C -0.713 175.436 176.117 0.052 0.000 1.244 49 I CA -0.228 61.120 61.300 0.080 0.000 1.042 49 I CB 1.961 39.974 38.000 0.021 0.000 1.277 49 I HN 0.671 nan 8.210 nan 0.000 0.423 50 S N 4.848 120.615 115.700 0.113 0.000 2.563 50 S HA 0.093 4.565 4.470 0.004 0.000 0.284 50 S C 1.329 175.981 174.600 0.086 0.000 1.331 50 S CA 0.218 58.470 58.200 0.088 0.000 1.047 50 S CB 0.993 64.256 63.200 0.106 0.000 0.859 50 S HN 0.778 nan 8.310 nan 0.000 0.514 51 R N 3.779 124.319 120.500 0.067 0.000 2.096 51 R HA -0.060 4.282 4.340 0.004 0.000 0.240 51 R C 2.346 178.700 176.300 0.090 0.000 1.139 51 R CA 2.491 58.642 56.100 0.085 0.000 0.952 51 R CB -1.323 29.012 30.300 0.058 0.000 0.854 51 R HN 0.818 nan 8.270 nan 0.000 0.436 52 G N -0.110 108.727 108.800 0.062 0.000 2.459 52 G HA2 -0.275 3.688 3.960 0.004 0.000 0.217 52 G HA3 -0.275 3.688 3.960 0.004 0.000 0.217 52 G C 1.210 176.129 174.900 0.032 0.000 1.183 52 G CA 0.977 46.102 45.100 0.041 0.000 0.776 52 G HN 0.485 nan 8.290 nan 0.000 0.552 53 E N -0.558 119.689 120.200 0.078 0.000 2.106 53 E HA -0.058 4.294 4.350 0.004 0.000 0.192 53 E C 2.078 178.611 176.600 -0.112 0.000 0.984 53 E CA 0.580 57.022 56.400 0.071 0.000 0.806 53 E CB -0.188 29.686 29.700 0.290 0.000 0.750 53 E HN 0.437 nan 8.360 nan 0.000 0.458 54 F N 1.407 121.224 119.950 -0.221 0.000 2.084 54 F HA -0.061 4.468 4.527 0.003 0.000 0.296 54 F C 2.215 177.831 175.800 -0.306 0.000 1.111 54 F CA 1.816 59.615 58.000 -0.335 0.000 1.224 54 F CB -0.862 37.978 39.000 -0.268 0.000 0.991 54 F HN -0.045 nan 8.300 nan 0.000 0.471 55 G N -0.682 107.942 108.800 -0.295 0.000 2.513 55 G HA2 -0.331 3.631 3.960 0.004 0.000 0.219 55 G HA3 -0.331 3.631 3.960 0.004 0.000 0.219 55 G C 1.687 176.373 174.900 -0.357 0.000 1.160 55 G CA 1.630 46.519 45.100 -0.352 0.000 0.767 55 G HN 0.415 nan 8.290 nan 0.000 0.571 56 T N 1.191 115.602 114.554 -0.239 0.000 2.746 56 T HA -0.051 4.301 4.350 0.004 0.000 0.267 56 T C 2.464 177.008 174.700 -0.260 0.000 1.039 56 T CA 1.161 63.165 62.100 -0.159 0.000 1.142 56 T CB -0.218 68.638 68.868 -0.019 0.000 0.866 56 T HN 0.197 nan 8.240 nan 0.000 0.444 57 L N 0.340 121.281 121.223 -0.471 0.000 2.017 57 L HA -0.121 4.222 4.340 0.004 0.000 0.208 57 L C 2.946 179.559 176.870 -0.429 0.000 1.073 57 L CA 1.010 55.489 54.840 -0.602 0.000 0.745 57 L CB -0.804 40.722 42.059 -0.887 0.000 0.894 57 L HN 0.372 nan 8.230 nan 0.000 0.432 58 C N -0.979 117.915 119.300 -0.677 0.000 2.413 58 C HA -0.186 4.276 4.460 0.004 0.000 0.276 58 C C 3.023 177.777 174.990 -0.393 0.000 1.248 58 C CA 0.534 59.074 59.018 -0.797 0.000 1.742 58 C CB -1.040 25.856 27.740 -1.407 0.000 2.017 58 C HN 0.650 nan 8.230 nan 0.000 0.481 59 C N -0.338 118.786 119.300 -0.294 0.000 2.437 59 C HA -0.037 4.425 4.460 0.004 0.000 0.283 59 C C 2.472 177.462 174.990 0.000 0.000 1.424 59 C CA 0.885 59.831 59.018 -0.120 0.000 1.782 59 C CB -1.108 26.571 27.740 -0.101 0.000 1.833 59 C HN 0.584 nan 8.230 nan 0.000 0.532 60 M N -0.201 119.423 119.600 0.039 0.000 2.441 60 M HA 0.109 4.591 4.480 0.004 0.000 0.244 60 M C 1.931 178.407 176.300 0.293 0.000 1.122 60 M CA 0.701 56.082 55.300 0.135 0.000 1.041 60 M CB -0.517 32.183 32.600 0.165 0.000 1.438 60 M HN 0.152 nan 8.290 nan 0.000 0.484 61 Q N 0.769 120.760 119.800 0.319 0.000 2.084 61 Q HA -0.031 4.311 4.340 0.004 0.000 0.202 61 Q C -1.070 175.144 176.000 0.357 0.000 0.978 61 Q CA 1.968 58.029 55.803 0.431 0.000 0.844 61 Q CB -1.406 27.573 28.738 0.401 0.000 0.898 61 Q HN 0.237 nan 8.270 nan 0.000 0.426 62 P HA -0.144 nan 4.420 nan 0.000 0.215 62 P C 1.051 178.470 177.300 0.199 0.000 1.157 62 P CA 1.185 64.408 63.100 0.205 0.000 0.868 62 P CB -0.164 31.631 31.700 0.159 0.000 0.788 63 L N -2.874 118.457 121.223 0.180 0.000 2.042 63 L HA -0.187 4.155 4.340 0.004 0.000 0.210 63 L C 2.445 179.412 176.870 0.162 0.000 1.076 63 L CA 1.853 56.805 54.840 0.188 0.000 0.749 63 L CB -1.254 40.879 42.059 0.122 0.000 0.893 63 L HN 0.082 nan 8.230 nan 0.000 0.432 64 W N 1.020 122.454 121.300 0.223 0.000 2.329 64 W HA -0.213 4.450 4.660 0.004 0.000 0.324 64 W C 2.696 179.292 176.519 0.128 0.000 1.222 64 W CA 1.092 58.542 57.345 0.175 0.000 1.270 64 W CB -0.527 29.027 29.460 0.156 0.000 1.167 64 W HN 0.199 nan 8.180 nan 0.000 0.467 65 N N 0.293 119.259 118.700 0.444 0.000 2.091 65 N HA -0.267 4.475 4.740 0.004 0.000 0.193 65 N C 1.483 177.110 175.510 0.195 0.000 1.021 65 N CA 2.042 55.326 53.050 0.390 0.000 0.862 65 N CB -1.031 37.598 38.487 0.238 0.000 1.018 65 N HN 0.397 nan 8.380 nan 0.000 0.429 66 E N 0.574 120.823 120.200 0.082 0.000 2.031 66 E HA -0.127 4.225 4.350 0.004 0.000 0.193 66 E C 1.893 178.344 176.600 -0.248 0.000 0.994 66 E CA 1.165 57.523 56.400 -0.070 0.000 0.800 66 E CB -0.135 29.521 29.700 -0.074 0.000 0.752 66 E HN 0.305 nan 8.360 nan 0.000 0.447 67 A N 0.662 123.253 122.820 -0.381 0.000 1.915 67 A HA -0.235 4.087 4.320 0.004 0.000 0.220 67 A C 2.428 179.903 177.584 -0.183 0.000 1.198 67 A CA 2.077 53.849 52.037 -0.443 0.000 0.647 67 A CB -0.951 17.945 19.000 -0.173 0.000 0.825 67 A HN 0.268 nan 8.150 nan 0.000 0.456 68 V N 0.091 119.956 119.914 -0.082 0.000 2.379 68 V HA -0.214 3.908 4.120 0.004 0.000 0.245 68 V C 2.325 178.319 176.094 -0.168 0.000 1.044 68 V CA 2.355 64.561 62.300 -0.157 0.000 1.036 68 V CB -0.832 30.779 31.823 -0.353 0.000 0.664 68 V HN 0.732 nan 8.190 nan 0.000 0.453 69 D N 0.586 120.921 120.400 -0.108 0.000 2.087 69 D HA -0.195 4.447 4.640 0.004 0.000 0.192 69 D C 1.937 178.233 176.300 -0.007 0.000 0.993 69 D CA 1.807 55.806 54.000 -0.002 0.000 0.828 69 D CB -0.201 40.638 40.800 0.064 0.000 0.968 69 D HN 0.335 nan 8.370 nan 0.000 0.448 70 N N -0.554 118.088 118.700 -0.098 0.000 2.061 70 N HA -0.125 4.617 4.740 0.004 0.000 0.193 70 N C 1.835 177.273 175.510 -0.119 0.000 1.030 70 N CA 1.762 54.732 53.050 -0.132 0.000 0.856 70 N CB -0.905 37.445 38.487 -0.228 0.000 1.023 70 N HN 0.261 nan 8.380 nan 0.000 0.424 71 T N 0.824 115.315 114.554 -0.105 0.000 2.701 71 T HA -0.043 4.310 4.350 0.004 0.000 0.263 71 T C 1.978 176.707 174.700 0.049 0.000 1.040 71 T CA 1.511 63.589 62.100 -0.037 0.000 1.147 71 T CB -0.577 68.306 68.868 0.026 0.000 0.865 71 T HN 0.348 nan 8.240 nan 0.000 0.426 72 A N 1.917 124.775 122.820 0.064 0.000 1.917 72 A HA -0.194 4.129 4.320 0.004 0.000 0.219 72 A C 2.258 179.909 177.584 0.113 0.000 1.182 72 A CA 1.675 53.804 52.037 0.154 0.000 0.633 72 A CB -0.564 18.605 19.000 0.282 0.000 0.819 72 A HN 0.459 nan 8.150 nan 0.000 0.448 73 R N -0.418 120.058 120.500 -0.040 0.000 2.323 73 R HA 0.017 4.359 4.340 0.004 0.000 0.198 73 R C 0.408 176.205 176.300 -0.838 0.000 0.988 73 R CA 0.318 56.147 56.100 -0.451 0.000 1.041 73 R CB -0.218 29.957 30.300 -0.209 0.000 0.926 73 R HN 0.355 nan 8.270 nan 0.000 0.476 74 N N 0.989 119.473 118.700 -0.359 0.000 3.331 74 N HA -0.015 4.727 4.740 0.004 0.000 0.303 74 N C 0.272 175.763 175.510 -0.032 0.000 1.326 74 N CA -0.055 52.870 53.050 -0.209 0.000 1.207 74 N CB 0.020 38.475 38.487 -0.054 0.000 1.477 74 N HN -0.015 nan 8.380 nan 0.000 0.541 75 F N 0.406 120.386 119.950 0.050 0.000 2.065 75 F HA -0.232 4.297 4.527 0.004 0.000 0.298 75 F C 2.651 178.466 175.800 0.025 0.000 1.112 75 F CA 1.489 59.492 58.000 0.005 0.000 1.212 75 F CB -1.633 37.352 39.000 -0.024 0.000 0.975 75 F HN 0.275 nan 8.300 nan 0.000 0.476 76 T N -0.740 113.948 114.554 0.224 0.000 2.649 76 T HA -0.378 3.974 4.350 0.004 0.000 0.268 76 T C 1.832 176.609 174.700 0.127 0.000 1.036 76 T CA 1.678 63.864 62.100 0.143 0.000 1.157 76 T CB -1.513 67.427 68.868 0.120 0.000 0.861 76 T HN 0.269 nan 8.240 nan 0.000 0.445 77 F N 2.219 122.181 119.950 0.019 0.000 2.095 77 F HA 0.026 4.555 4.527 0.004 0.000 0.298 77 F C 2.001 177.804 175.800 0.004 0.000 1.104 77 F CA 0.854 58.856 58.000 0.004 0.000 1.232 77 F CB -0.716 38.278 39.000 -0.011 0.000 0.987 77 F HN 0.038 nan 8.300 nan 0.000 0.475 78 L N 0.563 121.719 121.223 -0.112 0.000 2.013 78 L HA -0.231 4.111 4.340 0.004 0.000 0.212 78 L C 2.740 179.469 176.870 -0.235 0.000 1.073 78 L CA 2.171 56.883 54.840 -0.213 0.000 0.753 78 L CB -0.913 41.140 42.059 -0.010 0.000 0.890 78 L HN 0.141 nan 8.230 nan 0.000 0.432 79 R N -0.311 120.111 120.500 -0.129 0.000 2.064 79 R HA -0.171 4.171 4.340 0.004 0.000 0.228 79 R C 2.002 178.208 176.300 -0.157 0.000 1.144 79 R CA 1.976 58.001 56.100 -0.126 0.000 0.932 79 R CB -0.359 29.904 30.300 -0.061 0.000 0.833 79 R HN 0.290 nan 8.270 nan 0.000 0.429 80 D N 0.489 120.808 120.400 -0.135 0.000 2.133 80 D HA -0.189 4.453 4.640 0.004 0.000 0.192 80 D C 1.303 177.485 176.300 -0.196 0.000 1.001 80 D CA 1.844 55.769 54.000 -0.126 0.000 0.844 80 D CB -0.317 40.439 40.800 -0.072 0.000 0.944 80 D HN 0.443 nan 8.370 nan 0.000 0.447 81 A N -0.902 121.696 122.820 -0.371 0.000 2.291 81 A HA 0.232 4.554 4.320 0.004 0.000 0.220 81 A C 1.208 178.604 177.584 -0.313 0.000 1.262 81 A CA 0.197 51.970 52.037 -0.440 0.000 0.867 81 A CB -0.113 18.275 19.000 -1.020 0.000 0.888 81 A HN 0.185 nan 8.150 nan 0.000 0.487 82 L N -2.471 118.605 121.223 -0.244 0.000 3.888 82 L HA 0.197 4.539 4.340 0.004 0.000 0.369 82 L C 1.466 178.234 176.870 -0.170 0.000 1.200 82 L CA 0.474 55.187 54.840 -0.211 0.000 1.268 82 L CB 0.237 42.126 42.059 -0.283 0.000 1.573 82 L HN 0.330 nan 8.230 nan 0.000 0.632 83 Q N 0.310 120.026 119.800 -0.140 0.000 2.170 83 Q HA -0.194 4.148 4.340 0.004 0.000 0.203 83 Q C 1.742 177.693 176.000 -0.082 0.000 0.976 83 Q CA 2.078 57.815 55.803 -0.111 0.000 0.858 83 Q CB 0.257 28.941 28.738 -0.089 0.000 0.907 83 Q HN 0.399 nan 8.270 nan 0.000 0.433 84 E N -1.098 119.065 120.200 -0.062 0.000 2.107 84 E HA -0.058 4.294 4.350 0.004 0.000 0.191 84 E C 1.709 178.298 176.600 -0.018 0.000 0.982 84 E CA 1.603 57.986 56.400 -0.029 0.000 0.809 84 E CB -0.221 29.475 29.700 -0.007 0.000 0.756 84 E HN 0.449 nan 8.360 nan 0.000 0.459 85 T N 0.095 114.632 114.554 -0.029 0.000 2.833 85 T HA -0.111 4.241 4.350 0.004 0.000 0.269 85 T C 1.782 176.463 174.700 -0.033 0.000 1.054 85 T CA 1.109 63.204 62.100 -0.007 0.000 1.135 85 T CB -0.263 68.603 68.868 -0.004 0.000 0.869 85 T HN 0.267 nan 8.240 nan 0.000 0.466 86 A N 1.679 124.447 122.820 -0.086 0.000 1.855 86 A HA 0.286 4.608 4.320 0.004 0.000 0.215 86 A C 2.670 180.211 177.584 -0.071 0.000 1.191 86 A CA 1.500 53.474 52.037 -0.105 0.000 0.613 86 A CB -1.183 17.728 19.000 -0.148 0.000 0.829 86 A HN 0.487 nan 8.150 nan 0.000 0.442 87 A N -0.439 122.346 122.820 -0.059 0.000 2.131 87 A HA -0.072 4.250 4.320 0.004 0.000 0.220 87 A C 2.382 179.952 177.584 -0.025 0.000 1.158 87 A CA 2.238 54.249 52.037 -0.044 0.000 0.665 87 A CB -0.643 18.336 19.000 -0.036 0.000 0.795 87 A HN 0.716 nan 8.150 nan 0.000 0.460 88 S N -0.743 114.950 115.700 -0.011 0.000 2.371 88 S HA -0.054 4.419 4.470 0.004 0.000 0.219 88 S C 0.644 175.252 174.600 0.014 0.000 1.040 88 S CA 0.921 59.124 58.200 0.005 0.000 0.958 88 S CB -0.204 63.010 63.200 0.023 0.000 0.860 88 S HN 0.384 nan 8.310 nan 0.000 0.487 89 D N 1.319 121.737 120.400 0.030 0.000 2.505 89 D HA 0.380 5.022 4.640 0.004 0.000 0.242 89 D C 0.806 177.122 176.300 0.027 0.000 1.136 89 D CA -0.208 53.829 54.000 0.062 0.000 0.954 89 D CB 0.902 41.789 40.800 0.145 0.000 1.002 89 D HN 0.097 nan 8.370 nan 0.000 0.512 90 V N 3.219 123.127 119.914 -0.010 0.000 2.270 90 V HA -0.183 3.940 4.120 0.004 0.000 0.245 90 V C 1.661 177.699 176.094 -0.093 0.000 1.043 90 V CA 1.297 63.557 62.300 -0.068 0.000 1.014 90 V CB -0.298 31.483 31.823 -0.071 0.000 0.645 90 V HN 0.505 nan 8.190 nan 0.000 0.447 91 N N -1.446 117.241 118.700 -0.021 0.000 2.571 91 N HA -0.017 4.725 4.740 0.004 0.000 0.189 91 N C 0.897 176.496 175.510 0.148 0.000 1.154 91 N CA 0.802 53.848 53.050 -0.006 0.000 0.907 91 N CB 0.178 38.704 38.487 0.065 0.000 0.977 91 N HN 0.604 nan 8.380 nan 0.000 0.449 92 F N -0.581 119.366 119.950 -0.005 0.000 1.881 92 F HA 0.125 4.654 4.527 0.003 0.000 0.233 92 F C 1.868 177.694 175.800 0.044 0.000 1.186 92 F CA 0.354 58.418 58.000 0.107 0.000 1.298 92 F CB -0.369 38.734 39.000 0.173 0.000 1.756 92 F HN -0.203 nan 8.300 nan 0.000 0.431 93 T N 0.574 115.209 114.554 0.136 0.000 2.803 93 T HA -0.070 4.282 4.350 0.004 0.000 0.269 93 T C 1.956 176.510 174.700 -0.244 0.000 1.052 93 T CA 1.484 63.551 62.100 -0.055 0.000 1.136 93 T CB -1.100 67.836 68.868 0.113 0.000 0.864 93 T HN 0.482 nan 8.240 nan 0.000 0.467 94 G N 1.747 110.432 108.800 -0.192 0.000 2.434 94 G HA2 -0.158 3.804 3.960 0.004 0.000 0.214 94 G HA3 -0.158 3.804 3.960 0.004 0.000 0.214 94 G C 1.582 176.272 174.900 -0.350 0.000 1.202 94 G CA 0.365 45.322 45.100 -0.239 0.000 0.788 94 G HN 0.382 nan 8.290 nan 0.000 0.539 95 K N 0.042 120.140 120.400 -0.503 0.000 2.209 95 K HA 0.056 4.378 4.320 0.004 0.000 0.204 95 K C 2.502 178.740 176.600 -0.603 0.000 1.048 95 K CA 0.510 56.338 56.287 -0.766 0.000 0.940 95 K CB -0.247 31.300 32.500 -1.587 0.000 0.729 95 K HN 0.302 nan 8.250 nan 0.000 0.451 96 L N 0.475 121.410 121.223 -0.481 0.000 2.056 96 L HA -0.168 4.174 4.340 0.004 0.000 0.207 96 L C 2.459 179.148 176.870 -0.301 0.000 1.078 96 L CA 0.696 55.328 54.840 -0.348 0.000 0.749 96 L CB -0.335 41.433 42.059 -0.485 0.000 0.901 96 L HN 0.128 nan 8.230 nan 0.000 0.433 97 L N -0.025 121.004 121.223 -0.322 0.000 2.083 97 L HA -0.217 4.125 4.340 0.004 0.000 0.209 97 L C 2.421 179.168 176.870 -0.206 0.000 1.083 97 L CA 1.280 55.964 54.840 -0.261 0.000 0.752 97 L CB -0.445 41.458 42.059 -0.260 0.000 0.899 97 L HN 0.303 nan 8.230 nan 0.000 0.433 98 N N -0.366 118.200 118.700 -0.223 0.000 2.036 98 N HA -0.252 4.490 4.740 0.004 0.000 0.195 98 N C 1.834 177.257 175.510 -0.145 0.000 1.037 98 N CA 2.052 54.991 53.050 -0.185 0.000 0.855 98 N CB -0.304 38.050 38.487 -0.221 0.000 1.033 98 N HN 0.404 nan 8.380 nan 0.000 0.423 99 M N 0.232 119.750 119.600 -0.137 0.000 2.080 99 M HA -0.182 4.300 4.480 0.004 0.000 0.260 99 M C 2.152 178.414 176.300 -0.063 0.000 1.068 99 M CA 1.083 56.336 55.300 -0.078 0.000 1.109 99 M CB -0.475 32.108 32.600 -0.028 0.000 1.342 99 M HN 0.094 nan 8.290 nan 0.000 0.405 100 L N 0.752 121.930 121.223 -0.074 0.000 2.034 100 L HA -0.308 4.035 4.340 0.004 0.000 0.217 100 L C 2.426 179.241 176.870 -0.092 0.000 1.077 100 L CA 2.139 56.937 54.840 -0.071 0.000 0.769 100 L CB -0.922 41.047 42.059 -0.149 0.000 0.890 100 L HN 0.379 nan 8.230 nan 0.000 0.435 101 Q N -1.178 118.561 119.800 -0.103 0.000 1.965 101 Q HA -0.202 4.140 4.340 0.004 0.000 0.200 101 Q C 2.118 178.062 176.000 -0.093 0.000 0.981 101 Q CA 1.788 57.537 55.803 -0.089 0.000 0.834 101 Q CB -0.176 28.512 28.738 -0.083 0.000 0.900 101 Q HN 0.538 nan 8.270 nan 0.000 0.426 102 E N -0.319 119.826 120.200 -0.093 0.000 2.118 102 E HA -0.173 4.179 4.350 0.004 0.000 0.195 102 E C 2.075 178.604 176.600 -0.118 0.000 0.992 102 E CA 1.362 57.711 56.400 -0.084 0.000 0.804 102 E CB 0.021 29.679 29.700 -0.071 0.000 0.741 102 E HN 0.263 nan 8.360 nan 0.000 0.458 103 V N -0.235 119.560 119.914 -0.198 0.000 2.283 103 V HA -0.187 3.935 4.120 0.004 0.000 0.239 103 V C 1.924 177.679 176.094 -0.566 0.000 1.035 103 V CA 1.531 63.592 62.300 -0.399 0.000 1.018 103 V CB -0.606 30.844 31.823 -0.622 0.000 0.658 103 V HN 0.170 nan 8.190 nan 0.000 0.459 104 Y N -0.921 119.055 120.300 -0.539 0.000 2.448 104 Y HA 0.227 4.779 4.550 0.004 0.000 0.289 104 Y C 2.015 177.683 175.900 -0.386 0.000 1.114 104 Y CA 0.688 58.245 58.100 -0.904 0.000 1.235 104 Y CB 0.103 37.558 38.460 -1.674 0.000 1.045 104 Y HN 0.082 nan 8.280 nan 0.000 0.554 105 L N -0.829 120.337 121.223 -0.095 0.000 2.609 105 L HA 0.124 4.466 4.340 0.004 0.000 0.230 105 L C 1.136 178.031 176.870 0.042 0.000 1.087 105 L CA -0.093 54.763 54.840 0.026 0.000 0.874 105 L CB 0.030 42.102 42.059 0.022 0.000 1.114 105 L HN 0.085 nan 8.230 nan 0.000 0.488 106 S N -0.694 115.014 115.700 0.013 0.000 2.634 106 S HA 0.167 4.639 4.470 0.004 0.000 0.261 106 S C 1.441 176.082 174.600 0.069 0.000 1.271 106 S CA -0.011 58.207 58.200 0.029 0.000 0.985 106 S CB 1.140 64.343 63.200 0.005 0.000 0.968 106 S HN 0.199 nan 8.310 nan 0.000 0.568 107 G N 0.139 108.976 108.800 0.062 0.000 2.527 107 G HA2 0.179 4.141 3.960 0.004 0.000 0.219 107 G HA3 0.179 4.141 3.960 0.004 0.000 0.219 107 G C 0.756 175.707 174.900 0.086 0.000 1.117 107 G CA 0.226 45.371 45.100 0.075 0.000 0.759 107 G HN 1.140 nan 8.290 nan 0.000 0.556 108 G N 1.163 110.009 108.800 0.076 0.000 2.391 108 G HA2 0.378 4.340 3.960 0.004 0.000 0.234 108 G HA3 0.378 4.340 3.960 0.004 0.000 0.234 108 G C -1.776 173.207 174.900 0.138 0.000 1.284 108 G CA -0.516 44.628 45.100 0.074 0.000 0.873 108 G HN 0.206 nan 8.290 nan 0.000 0.549 109 P HA 0.454 nan 4.420 nan 0.000 0.274 109 P C -0.811 176.547 177.300 0.097 0.000 1.237 109 P CA -0.128 62.971 63.100 -0.001 0.000 0.793 109 P CB 0.823 32.510 31.700 -0.021 0.000 0.977 110 F N -2.555 117.372 119.950 -0.038 0.000 2.672 110 F HA 0.433 4.962 4.527 0.003 0.000 0.311 110 F C -0.654 175.161 175.800 0.025 0.000 1.113 110 F CA -1.689 56.266 58.000 -0.075 0.000 0.996 110 F CB 0.724 39.560 39.000 -0.272 0.000 1.286 110 F HN 0.130 nan 8.300 nan 0.000 0.441 111 Q N 2.465 122.412 119.800 0.246 0.000 2.264 111 Q HA 0.082 4.425 4.340 0.004 0.000 0.296 111 Q C 0.543 176.769 176.000 0.377 0.000 1.103 111 Q CA 0.826 56.769 55.803 0.233 0.000 0.967 111 Q CB 1.329 30.211 28.738 0.240 0.000 1.090 111 Q HN 0.878 nan 8.270 nan 0.000 0.379 112 Q N 3.502 123.456 119.800 0.257 0.000 2.402 112 Q HA 0.253 4.595 4.340 0.004 0.000 0.206 112 Q C -0.267 175.876 176.000 0.238 0.000 0.919 112 Q CA 0.082 56.087 55.803 0.336 0.000 0.923 112 Q CB 0.378 29.218 28.738 0.170 0.000 1.048 112 Q HN 0.741 nan 8.270 nan 0.000 0.515 113 L N 1.741 123.065 121.223 0.169 0.000 2.416 113 L HA 0.226 4.568 4.340 0.004 0.000 0.272 113 L C -0.222 176.701 176.870 0.088 0.000 1.161 113 L CA 0.384 55.292 54.840 0.114 0.000 0.845 113 L CB 0.629 42.754 42.059 0.109 0.000 1.119 113 L HN 0.248 nan 8.230 nan 0.000 0.464 114 M N 4.876 124.481 119.600 0.008 0.000 2.327 114 M HA 0.343 4.826 4.480 0.004 0.000 0.298 114 M C -1.270 174.974 176.300 -0.093 0.000 1.065 114 M CA -0.769 54.448 55.300 -0.138 0.000 0.916 114 M CB 2.651 34.973 32.600 -0.464 0.000 1.630 114 M HN 0.269 nan 8.290 nan 0.000 0.442 115 L N 2.669 123.863 121.223 -0.049 0.000 2.272 115 L HA 0.761 5.103 4.340 0.004 0.000 0.289 115 L C -0.110 176.856 176.870 0.159 0.000 1.032 115 L CA 0.139 54.992 54.840 0.021 0.000 0.810 115 L CB 1.238 43.312 42.059 0.025 0.000 1.205 115 L HN 0.763 nan 8.230 nan 0.000 0.422 116 G N 6.271 115.158 108.800 0.144 0.000 2.335 116 G HA2 0.572 4.534 3.960 0.004 0.000 0.316 116 G HA3 0.572 4.534 3.960 0.004 0.000 0.316 116 G C -0.619 174.014 174.900 -0.445 0.000 1.129 116 G CA -0.394 44.608 45.100 -0.163 0.000 0.899 116 G HN 0.628 nan 8.290 nan 0.000 0.448 117 I N 3.447 123.929 120.570 -0.147 0.000 2.503 117 I HA 0.276 4.448 4.170 0.004 0.000 0.277 117 I C -0.763 175.471 176.117 0.194 0.000 1.078 117 I CA -0.477 60.790 61.300 -0.054 0.000 1.184 117 I CB 0.359 38.384 38.000 0.041 0.000 1.353 117 I HN 0.179 nan 8.210 nan 0.000 0.490 118 F N 3.559 123.599 119.950 0.150 0.000 2.457 118 F HA 0.661 5.190 4.527 0.003 0.000 0.330 118 F C 0.471 176.377 175.800 0.176 0.000 1.069 118 F CA -1.522 56.547 58.000 0.114 0.000 1.009 118 F CB 0.738 39.764 39.000 0.044 0.000 1.276 118 F HN 0.245 nan 8.300 nan 0.000 0.492 119 R N -0.223 120.437 120.500 0.267 0.000 2.538 119 R HA 0.457 4.799 4.340 0.004 0.000 0.292 119 R C -1.637 174.579 176.300 -0.140 0.000 1.008 119 R CA -0.395 55.721 56.100 0.026 0.000 0.896 119 R CB 1.715 31.936 30.300 -0.132 0.000 1.187 119 R HN 0.756 nan 8.270 nan 0.000 0.440 120 T N 3.144 117.564 114.554 -0.224 0.000 2.744 120 T HA 0.228 4.580 4.350 0.004 0.000 0.291 120 T C -0.838 173.620 174.700 -0.404 0.000 0.957 120 T CA -0.486 61.311 62.100 -0.504 0.000 1.002 120 T CB 0.814 69.186 68.868 -0.826 0.000 0.919 120 T HN 0.363 nan 8.240 nan 0.000 0.468 121 D N 2.947 123.080 120.400 -0.445 0.000 2.280 121 D HA 0.302 4.945 4.640 0.004 0.000 0.236 121 D C -0.507 175.616 176.300 -0.296 0.000 1.082 121 D CA -0.103 53.748 54.000 -0.249 0.000 0.834 121 D CB 1.098 41.780 40.800 -0.196 0.000 1.100 121 D HN 0.485 nan 8.370 nan 0.000 0.486 122 Y N 0.709 120.972 120.300 -0.061 0.000 2.487 122 Y HA 0.519 5.071 4.550 0.004 0.000 0.337 122 Y C 0.667 176.723 175.900 0.260 0.000 1.076 122 Y CA -0.959 57.211 58.100 0.116 0.000 1.115 122 Y CB 1.934 40.513 38.460 0.199 0.000 1.235 122 Y HN 0.026 nan 8.280 nan 0.000 0.468 123 M N 1.882 121.778 119.600 0.493 0.000 2.464 123 M HA 0.423 4.905 4.480 0.004 0.000 0.308 123 M C -0.645 175.939 176.300 0.473 0.000 1.127 123 M CA -0.801 54.741 55.300 0.403 0.000 0.913 123 M CB 2.668 35.169 32.600 -0.166 0.000 1.689 123 M HN 0.649 nan 8.290 nan 0.000 0.445 124 R N 1.400 121.853 120.500 -0.078 0.000 2.582 124 R HA 0.180 4.522 4.340 0.004 0.000 0.271 124 R C -0.309 175.911 176.300 -0.133 0.000 1.078 124 R CA -0.149 55.558 56.100 -0.655 0.000 1.127 124 R CB 0.904 30.420 30.300 -1.306 0.000 1.038 124 R HN 0.671 nan 8.270 nan 0.000 0.500 125 E N 1.242 121.277 120.200 -0.275 0.000 2.331 125 E HA 0.178 4.530 4.350 0.004 0.000 0.272 125 E C -0.162 176.329 176.600 -0.181 0.000 1.036 125 E CA -0.431 55.802 56.400 -0.278 0.000 0.864 125 E CB 0.927 30.479 29.700 -0.247 0.000 1.035 125 E HN 0.774 nan 8.360 nan 0.000 0.408 126 G N 1.765 110.485 108.800 -0.133 0.000 2.750 126 G HA2 0.323 4.285 3.960 0.004 0.000 0.250 126 G HA3 0.323 4.285 3.960 0.004 0.000 0.250 126 G C 0.171 175.040 174.900 -0.053 0.000 1.230 126 G CA 0.168 45.254 45.100 -0.022 0.000 0.883 126 G HN 1.311 nan 8.290 nan 0.000 0.573 135 T N -0.273 114.270 114.554 -0.017 0.000 3.223 135 T HA 0.646 4.999 4.350 0.004 0.000 0.259 135 T C 0.946 175.631 174.700 -0.026 0.000 1.015 135 T CA 0.085 62.173 62.100 -0.019 0.000 0.908 135 T CB -0.106 68.749 68.868 -0.023 0.000 1.054 135 T HN 1.155 nan 8.240 nan 0.000 0.567 136 A N 1.130 123.937 122.820 -0.022 0.000 2.296 136 A HA 0.681 5.003 4.320 0.004 0.000 0.264 136 A C 0.583 178.157 177.584 -0.016 0.000 1.097 136 A CA -0.590 51.429 52.037 -0.029 0.000 0.811 136 A CB 0.452 19.452 19.000 -0.001 0.000 1.072 136 A HN 0.420 nan 8.150 nan 0.000 0.495 137 S N -1.328 114.357 115.700 -0.025 0.000 2.586 137 S HA 0.333 4.805 4.470 0.004 0.000 0.274 137 S C 1.223 175.904 174.600 0.135 0.000 1.281 137 S CA -0.509 57.739 58.200 0.080 0.000 1.035 137 S CB 0.628 63.909 63.200 0.134 0.000 0.962 137 S HN 0.608 nan 8.310 nan 0.000 0.512 138 R N 2.312 122.877 120.500 0.108 0.000 2.096 138 R HA 0.017 4.359 4.340 0.004 0.000 0.235 138 R C -0.193 176.094 176.300 -0.020 0.000 1.127 138 R CA 1.138 57.216 56.100 -0.038 0.000 0.968 138 R CB -0.098 30.094 30.300 -0.180 0.000 0.861 138 R HN 0.670 nan 8.270 nan 0.000 0.440 139 W N 2.106 123.532 121.300 0.211 0.000 2.497 139 W HA 0.183 4.846 4.660 0.004 0.000 0.354 139 W C 0.028 176.829 176.519 0.471 0.000 1.111 139 W CA -0.627 56.895 57.345 0.294 0.000 1.510 139 W CB 0.209 29.759 29.460 0.150 0.000 1.466 139 W HN -0.319 nan 8.180 nan 0.000 0.409 140 K N 2.521 123.259 120.400 0.563 0.000 2.237 140 K HA 0.048 4.370 4.320 0.004 0.000 0.270 140 K C 0.283 177.149 176.600 0.444 0.000 1.015 140 K CA -0.512 56.071 56.287 0.492 0.000 0.949 140 K CB 0.464 33.183 32.500 0.365 0.000 0.976 140 K HN 0.345 nan 8.250 nan 0.000 0.472 141 N N 1.957 120.770 118.700 0.188 0.000 2.430 141 N HA 0.051 4.793 4.740 0.004 0.000 0.265 141 N C 0.394 175.801 175.510 -0.172 0.000 1.100 141 N CA -0.194 52.709 53.050 -0.245 0.000 0.961 141 N CB 0.766 38.981 38.487 -0.453 0.000 1.075 141 N HN 0.356 nan 8.380 nan 0.000 0.478 142 V N 0.375 120.165 119.914 -0.207 0.000 3.635 142 V HA 0.393 4.515 4.120 0.004 0.000 0.266 142 V C 0.031 176.007 176.094 -0.197 0.000 1.316 142 V CA 0.336 62.542 62.300 -0.156 0.000 1.060 142 V CB 0.043 31.748 31.823 -0.197 0.000 0.820 142 V HN 0.674 nan 8.190 nan 0.000 0.447 143 E N 0.173 120.202 120.200 -0.285 0.000 2.397 143 E HA 0.512 4.864 4.350 0.004 0.000 0.293 143 E C -1.613 174.764 176.600 -0.370 0.000 0.930 143 E CA -0.357 55.886 56.400 -0.261 0.000 0.793 143 E CB 1.883 31.466 29.700 -0.196 0.000 1.259 143 E HN 0.435 nan 8.360 nan 0.000 0.406 144 I N 5.036 125.406 120.570 -0.332 0.000 2.433 144 I HA 0.586 4.758 4.170 0.004 0.000 0.292 144 I C -1.517 174.456 176.117 -0.239 0.000 1.001 144 I CA -0.583 60.496 61.300 -0.367 0.000 1.119 144 I CB 0.738 38.499 38.000 -0.399 0.000 1.289 144 I HN 0.714 nan 8.210 nan 0.000 0.438 145 N N 3.561 122.133 118.700 -0.212 0.000 2.287 145 N HA 0.246 4.988 4.740 0.004 0.000 0.289 145 N C -0.479 174.973 175.510 -0.097 0.000 1.066 145 N CA -0.614 52.348 53.050 -0.147 0.000 0.841 145 N CB 2.037 40.454 38.487 -0.117 0.000 1.599 145 N HN 0.573 nan 8.380 nan 0.000 0.476 146 T N -1.828 112.667 114.554 -0.098 0.000 3.043 146 T HA 0.276 4.628 4.350 0.004 0.000 0.272 146 T C 0.364 175.157 174.700 0.155 0.000 0.990 146 T CA -0.100 62.010 62.100 0.017 0.000 0.897 146 T CB 0.075 68.806 68.868 -0.228 0.000 1.111 146 T HN 0.563 nan 8.240 nan 0.000 0.529 147 I N 1.403 121.971 120.570 -0.004 0.000 2.465 147 I HA 0.516 4.688 4.170 0.004 0.000 0.291 147 I C 0.237 176.265 176.117 -0.149 0.000 1.014 147 I CA -0.542 60.712 61.300 -0.077 0.000 1.093 147 I CB 1.875 39.708 38.000 -0.279 0.000 1.267 147 I HN 0.180 nan 8.210 nan 0.000 0.431 148 S N 4.847 120.481 115.700 -0.110 0.000 3.348 148 S HA -0.201 4.271 4.470 0.004 0.000 0.366 148 S C 0.112 174.574 174.600 -0.230 0.000 0.953 148 S CA 0.103 58.170 58.200 -0.221 0.000 1.255 148 S CB -1.502 61.485 63.200 -0.355 0.000 0.906 148 S HN 0.699 nan 8.310 nan 0.000 0.495 149 C N 3.262 122.532 119.300 -0.050 0.000 2.633 149 C HA 0.379 4.841 4.460 0.004 0.000 0.415 149 C C 1.305 176.292 174.990 -0.005 0.000 1.393 149 C CA -0.464 58.569 59.018 0.026 0.000 1.700 149 C CB -0.503 27.377 27.740 0.234 0.000 2.541 149 C HN 0.747 nan 8.230 nan 0.000 0.603 150 S N 2.105 117.747 115.700 -0.097 0.000 2.646 150 S HA 0.662 5.134 4.470 0.004 0.000 0.276 150 S C 0.157 174.686 174.600 -0.119 0.000 1.222 150 S CA -0.439 57.538 58.200 -0.372 0.000 1.014 150 S CB 0.361 63.016 63.200 -0.908 0.000 0.991 150 S HN 0.767 nan 8.310 nan 0.000 0.533 151 F N -1.943 118.043 119.950 0.060 0.000 2.656 151 F HA -0.273 4.256 4.527 0.004 0.000 0.381 151 F C 1.680 177.498 175.800 0.030 0.000 0.603 151 F CA 0.244 58.285 58.000 0.069 0.000 1.335 151 F CB -2.209 36.859 39.000 0.114 0.000 1.836 151 F HN 0.627 nan 8.300 nan 0.000 0.290 152 A N 0.210 122.962 122.820 -0.113 0.000 2.125 152 A HA 0.260 4.582 4.320 0.004 0.000 0.219 152 A C 2.354 179.765 177.584 -0.290 0.000 1.156 152 A CA 1.968 53.624 52.037 -0.634 0.000 0.671 152 A CB -0.889 17.445 19.000 -1.110 0.000 0.794 152 A HN 0.648 nan 8.150 nan 0.000 0.459 153 G N -0.940 107.772 108.800 -0.146 0.000 2.556 153 G HA2 0.087 4.050 3.960 0.004 0.000 0.209 153 G HA3 0.087 4.050 3.960 0.004 0.000 0.209 153 G C 1.437 176.313 174.900 -0.041 0.000 1.159 153 G CA 0.413 45.453 45.100 -0.101 0.000 0.828 153 G HN 0.337 nan 8.290 nan 0.000 0.553 154 L N 0.882 122.118 121.223 0.023 0.000 2.141 154 L HA -0.057 4.285 4.340 0.004 0.000 0.209 154 L C 3.050 179.921 176.870 0.001 0.000 1.094 154 L CA 1.055 55.920 54.840 0.042 0.000 0.763 154 L CB -0.302 41.843 42.059 0.144 0.000 0.908 154 L HN 0.315 nan 8.230 nan 0.000 0.437 155 S N 0.172 115.880 115.700 0.014 0.000 2.368 155 S HA -0.130 4.342 4.470 0.004 0.000 0.226 155 S C -0.390 174.134 174.600 -0.127 0.000 1.044 155 S CA 1.898 60.058 58.200 -0.067 0.000 1.062 155 S CB -0.826 62.345 63.200 -0.047 0.000 0.931 155 S HN 0.230 nan 8.310 nan 0.000 0.440 156 P HA -0.077 nan 4.420 nan 0.000 0.216 156 P C 1.464 178.733 177.300 -0.051 0.000 1.150 156 P CA 0.985 64.036 63.100 -0.081 0.000 0.837 156 P CB -0.228 31.437 31.700 -0.058 0.000 0.786 157 L N -1.178 120.015 121.223 -0.050 0.000 2.043 157 L HA -0.193 4.149 4.340 0.004 0.000 0.212 157 L C 2.315 179.160 176.870 -0.042 0.000 1.075 157 L CA 1.339 56.157 54.840 -0.037 0.000 0.752 157 L CB -1.051 40.980 42.059 -0.047 0.000 0.891 157 L HN -0.035 nan 8.230 nan 0.000 0.432 158 I N -0.123 120.388 120.570 -0.099 0.000 2.163 158 I HA -0.275 3.897 4.170 0.004 0.000 0.243 158 I C 2.584 178.627 176.117 -0.123 0.000 1.085 158 I CA 1.810 63.010 61.300 -0.167 0.000 1.347 158 I CB -1.846 36.011 38.000 -0.237 0.000 1.044 158 I HN 0.265 nan 8.210 nan 0.000 0.408 159 T N 0.730 115.254 114.554 -0.051 0.000 2.737 159 T HA -0.207 4.145 4.350 0.004 0.000 0.269 159 T C 1.747 176.497 174.700 0.084 0.000 1.040 159 T CA 1.470 63.596 62.100 0.043 0.000 1.142 159 T CB -0.259 68.648 68.868 0.065 0.000 0.861 159 T HN 0.457 nan 8.240 nan 0.000 0.456 160 E N -0.299 119.941 120.200 0.067 0.000 2.274 160 E HA -0.006 4.347 4.350 0.004 0.000 0.194 160 E C 1.690 178.363 176.600 0.121 0.000 0.996 160 E CA 0.457 56.908 56.400 0.084 0.000 0.840 160 E CB -0.126 29.611 29.700 0.061 0.000 0.772 160 E HN 0.554 nan 8.360 nan 0.000 0.491 161 F N 0.509 120.431 119.950 -0.046 0.000 2.219 161 F HA -0.045 4.484 4.527 0.004 0.000 0.294 161 F C 1.907 177.740 175.800 0.054 0.000 1.086 161 F CA 1.437 59.405 58.000 -0.054 0.000 1.330 161 F CB -0.092 38.812 39.000 -0.160 0.000 1.047 161 F HN 0.003 nan 8.300 nan 0.000 0.495 162 H N -0.564 118.508 119.070 0.003 0.000 2.389 162 H HA -0.140 4.419 4.556 0.004 0.000 0.299 162 H C 2.155 177.503 175.328 0.035 0.000 1.081 162 H CA 1.127 57.139 56.048 -0.060 0.000 1.345 162 H CB -0.038 29.714 29.762 -0.018 0.000 1.393 162 H HN 0.376 nan 8.280 nan 0.000 0.520 163 Q N -0.329 119.576 119.800 0.175 0.000 2.152 163 Q HA -0.254 4.088 4.340 0.004 0.000 0.206 163 Q C 2.086 178.109 176.000 0.039 0.000 0.985 163 Q CA 1.873 57.747 55.803 0.118 0.000 0.863 163 Q CB -0.078 28.716 28.738 0.093 0.000 0.904 163 Q HN 0.581 nan 8.270 nan 0.000 0.422 164 H N 0.163 119.172 119.070 -0.103 0.000 2.353 164 H HA -0.079 4.480 4.556 0.004 0.000 0.300 164 H C 1.694 176.923 175.328 -0.165 0.000 1.090 164 H CA 1.779 57.731 56.048 -0.160 0.000 1.327 164 H CB -0.077 29.528 29.762 -0.262 0.000 1.383 164 H HN 0.192 nan 8.280 nan 0.000 0.508 165 I N 0.278 120.628 120.570 -0.367 0.000 2.286 165 I HA -0.244 3.928 4.170 0.004 0.000 0.248 165 I C 2.706 178.718 176.117 -0.175 0.000 1.115 165 I CA 0.925 62.062 61.300 -0.273 0.000 1.392 165 I CB -0.540 37.356 38.000 -0.173 0.000 1.065 165 I HN 0.462 nan 8.210 nan 0.000 0.418 166 A N 0.964 123.699 122.820 -0.141 0.000 1.877 166 A HA -0.159 4.163 4.320 0.004 0.000 0.216 166 A C 2.568 179.945 177.584 -0.346 0.000 1.186 166 A CA 1.901 53.745 52.037 -0.321 0.000 0.620 166 A CB -0.890 18.004 19.000 -0.176 0.000 0.822 166 A HN 0.412 nan 8.150 nan 0.000 0.443 167 A N -1.062 121.616 122.820 -0.236 0.000 1.834 167 A HA -0.163 4.159 4.320 0.004 0.000 0.216 167 A C 2.097 179.570 177.584 -0.185 0.000 1.203 167 A CA 1.912 53.825 52.037 -0.206 0.000 0.621 167 A CB -1.305 17.619 19.000 -0.127 0.000 0.841 167 A HN 0.772 nan 8.150 nan 0.000 0.446 168 Y N 0.506 120.590 120.300 -0.360 0.000 2.062 168 Y HA -0.293 4.260 4.550 0.004 0.000 0.273 168 Y C 2.104 177.878 175.900 -0.210 0.000 1.206 168 Y CA 2.071 60.011 58.100 -0.266 0.000 1.125 168 Y CB -0.824 37.458 38.460 -0.296 0.000 0.951 168 Y HN 0.239 nan 8.280 nan 0.000 0.501 169 L N -0.359 120.690 121.223 -0.292 0.000 2.083 169 L HA -0.281 4.061 4.340 0.004 0.000 0.209 169 L C 2.633 179.244 176.870 -0.432 0.000 1.083 169 L CA 1.642 56.236 54.840 -0.410 0.000 0.752 169 L CB -0.539 41.285 42.059 -0.393 0.000 0.899 169 L HN 0.341 nan 8.230 nan 0.000 0.433 170 Q N -0.898 118.605 119.800 -0.495 0.000 2.061 170 Q HA -0.216 4.126 4.340 0.004 0.000 0.204 170 Q C 2.287 178.115 176.000 -0.287 0.000 0.984 170 Q CA 1.792 57.276 55.803 -0.531 0.000 0.846 170 Q CB -0.166 28.241 28.738 -0.552 0.000 0.902 170 Q HN 0.352 nan 8.270 nan 0.000 0.421 171 V N 0.538 120.324 119.914 -0.215 0.000 2.427 171 V HA -0.221 3.901 4.120 0.004 0.000 0.248 171 V C 2.122 178.140 176.094 -0.126 0.000 1.051 171 V CA 1.058 63.283 62.300 -0.124 0.000 1.048 171 V CB -0.396 31.389 31.823 -0.063 0.000 0.666 171 V HN 0.279 nan 8.190 nan 0.000 0.456 172 L N -0.317 120.784 121.223 -0.202 0.000 2.012 172 L HA -0.220 4.123 4.340 0.004 0.000 0.210 172 L C 2.489 179.273 176.870 -0.142 0.000 1.073 172 L CA 1.979 56.689 54.840 -0.217 0.000 0.748 172 L CB -0.777 41.042 42.059 -0.401 0.000 0.891 172 L HN 0.350 nan 8.230 nan 0.000 0.431 173 Q N -0.938 118.779 119.800 -0.139 0.000 1.967 173 Q HA -0.236 4.106 4.340 0.004 0.000 0.202 173 Q C 2.220 178.210 176.000 -0.016 0.000 0.985 173 Q CA 1.829 57.602 55.803 -0.049 0.000 0.839 173 Q CB -0.213 28.540 28.738 0.024 0.000 0.906 173 Q HN 0.313 nan 8.270 nan 0.000 0.423 174 K N -0.083 120.310 120.400 -0.012 0.000 2.207 174 K HA -0.219 4.104 4.320 0.004 0.000 0.208 174 K C 1.696 178.292 176.600 -0.008 0.000 1.046 174 K CA 1.227 57.516 56.287 0.004 0.000 0.929 174 K CB -0.224 32.272 32.500 -0.007 0.000 0.720 174 K HN 0.216 nan 8.250 nan 0.000 0.463 175 A N 0.766 123.571 122.820 -0.026 0.000 2.235 175 A HA -0.031 4.291 4.320 0.004 0.000 0.208 175 A C 1.721 179.296 177.584 -0.015 0.000 1.172 175 A CA 0.560 52.585 52.037 -0.021 0.000 0.786 175 A CB 0.025 19.008 19.000 -0.029 0.000 0.804 175 A HN 0.104 nan 8.150 nan 0.000 0.479 176 R N -0.731 119.762 120.500 -0.013 0.000 2.119 176 R HA 0.235 4.577 4.340 0.004 0.000 0.202 176 R C 1.004 177.302 176.300 -0.004 0.000 1.114 176 R CA 1.250 57.344 56.100 -0.009 0.000 1.089 176 R CB -0.412 29.881 30.300 -0.012 0.000 1.000 176 R HN 0.397 nan 8.270 nan 0.000 0.487 177 G N 0.649 109.449 108.800 -0.000 0.000 2.725 177 G HA2 0.617 4.579 3.960 0.004 0.000 0.288 177 G HA3 0.617 4.579 3.960 0.004 0.000 0.288 177 G C -1.612 173.294 174.900 0.010 0.000 1.399 177 G CA -0.605 44.498 45.100 0.005 0.000 0.859 177 G HN 0.079 nan 8.290 nan 0.000 0.479 178 K N -0.470 119.946 120.400 0.025 0.000 2.426 178 K HA 0.155 4.477 4.320 0.004 0.000 0.332 178 K C -0.113 176.531 176.600 0.073 0.000 1.275 178 K CA -0.402 55.900 56.287 0.025 0.000 1.121 178 K CB 1.017 33.522 32.500 0.008 0.000 1.395 178 K HN 0.709 nan 8.250 nan 0.000 0.468 179 E N 1.300 121.542 120.200 0.071 0.000 2.250 179 E HA -0.070 4.282 4.350 0.004 0.000 0.192 179 E C 0.109 176.610 176.600 -0.165 0.000 0.986 179 E CA 0.499 56.950 56.400 0.084 0.000 0.849 179 E CB 0.255 29.975 29.700 0.034 0.000 0.797 179 E HN 0.583 nan 8.360 nan 0.000 0.482 186 N N 5.998 124.597 118.700 -0.168 0.000 2.396 186 N HA -0.120 4.623 4.740 0.004 0.000 0.180 186 N C 0.730 176.194 175.510 -0.076 0.000 1.028 186 N CA 1.129 53.996 53.050 -0.305 0.000 0.893 186 N CB -0.603 37.554 38.487 -0.550 0.000 0.967 186 N HN 0.843 nan 8.380 nan 0.000 0.440 187 M N -0.690 118.911 119.600 0.002 0.000 3.740 187 M HA -0.173 4.310 4.480 0.004 0.000 0.160 187 M C -0.053 176.303 176.300 0.092 0.000 1.480 187 M CA 0.542 55.906 55.300 0.108 0.000 1.002 187 M CB -2.071 30.631 32.600 0.172 0.000 1.322 187 M HN 0.021 nan 8.290 nan 0.000 0.434 188 S N 2.311 118.090 115.700 0.132 0.000 2.660 188 S HA 0.038 4.511 4.470 0.004 0.000 0.223 188 S C 1.413 176.132 174.600 0.199 0.000 0.963 188 S CA 0.568 58.852 58.200 0.141 0.000 0.932 188 S CB -0.206 63.041 63.200 0.078 0.000 0.775 188 S HN 0.923 nan 8.310 nan 0.000 0.531 189 W N 0.374 121.745 121.300 0.119 0.000 2.425 189 W HA -0.042 4.620 4.660 0.004 0.000 0.277 189 W C 1.183 177.735 176.519 0.055 0.000 1.231 189 W CA 0.242 57.626 57.345 0.065 0.000 1.248 189 W CB -1.056 28.410 29.460 0.010 0.000 1.117 189 W HN 0.297 nan 8.180 nan 0.000 0.568 190 I N 0.289 120.486 120.570 -0.621 0.000 2.179 190 I HA -0.199 3.973 4.170 0.004 0.000 0.242 190 I C 1.360 177.211 176.117 -0.443 0.000 1.088 190 I CA 1.411 62.250 61.300 -0.768 0.000 1.357 190 I CB -0.564 36.808 38.000 -1.047 0.000 1.051 190 I HN -0.137 nan 8.210 nan 0.000 0.409 191 W N 2.378 123.549 121.300 -0.216 0.000 1.864 191 W HA 0.184 4.847 4.660 0.004 0.000 0.425 191 W C 1.500 177.988 176.519 -0.053 0.000 0.791 191 W CA -0.213 57.063 57.345 -0.115 0.000 1.650 191 W CB -0.475 28.924 29.460 -0.102 0.000 1.791 191 W HN 0.222 nan 8.180 nan 0.000 0.266 192 G N 2.330 111.176 108.800 0.077 0.000 2.728 192 G HA2 -0.354 3.608 3.960 0.004 0.000 0.224 192 G HA3 -0.354 3.608 3.960 0.004 0.000 0.224 192 G C 0.947 175.907 174.900 0.100 0.000 1.123 192 G CA 0.699 45.850 45.100 0.086 0.000 0.755 192 G HN 0.295 nan 8.290 nan 0.000 0.622 193 K N 0.858 121.318 120.400 0.101 0.000 2.363 193 K HA 0.415 4.738 4.320 0.004 0.000 0.289 193 K C 1.284 177.928 176.600 0.073 0.000 1.063 193 K CA 0.650 56.984 56.287 0.079 0.000 0.967 193 K CB -0.110 32.431 32.500 0.069 0.000 0.987 193 K HN 0.442 nan 8.250 nan 0.000 0.473 194 G N 4.344 113.181 108.800 0.062 0.000 3.675 194 G HA2 -0.420 3.542 3.960 0.004 0.000 0.275 194 G HA3 -0.420 3.542 3.960 0.004 0.000 0.275 194 G C 0.675 175.606 174.900 0.051 0.000 1.648 194 G CA 0.163 45.293 45.100 0.050 0.000 1.093 194 G HN 0.686 nan 8.290 nan 0.000 0.617 195 N N 0.478 119.205 118.700 0.046 0.000 2.111 195 N HA -0.079 4.663 4.740 0.004 0.000 0.197 195 N C 1.009 176.554 175.510 0.058 0.000 1.011 195 N CA 1.875 54.951 53.050 0.043 0.000 0.880 195 N CB -0.587 37.920 38.487 0.033 0.000 1.031 195 N HN 1.116 nan 8.380 nan 0.000 0.444 196 C N 0.061 119.411 119.300 0.083 0.000 2.608 196 C HA 0.597 5.059 4.460 0.004 0.000 0.325 196 C C -1.391 173.670 174.990 0.120 0.000 1.147 196 C CA -0.847 58.234 59.018 0.106 0.000 1.359 196 C CB 0.808 28.644 27.740 0.160 0.000 1.912 196 C HN 0.343 nan 8.230 nan 0.000 0.466 197 R N 4.760 125.315 120.500 0.092 0.000 2.584 197 R HA 0.451 4.794 4.340 0.004 0.000 0.276 197 R C -1.371 174.970 176.300 0.069 0.000 1.046 197 R CA -0.714 55.442 56.100 0.094 0.000 0.906 197 R CB 1.622 31.962 30.300 0.067 0.000 1.215 197 R HN 0.686 nan 8.270 nan 0.000 0.449 198 L N 2.453 123.742 121.223 0.109 0.000 2.477 198 L HA 0.089 4.432 4.340 0.004 0.000 0.272 198 L C 0.478 177.387 176.870 0.066 0.000 1.157 198 L CA 0.235 55.127 54.840 0.087 0.000 0.889 198 L CB 0.113 42.261 42.059 0.148 0.000 1.158 198 L HN 0.461 nan 8.230 nan 0.000 0.473 199 E N 4.531 124.749 120.200 0.029 0.000 2.109 199 E HA 0.190 4.542 4.350 0.004 0.000 0.278 199 E C -0.327 176.393 176.600 0.199 0.000 0.954 199 E CA -0.587 55.844 56.400 0.051 0.000 0.779 199 E CB 0.755 30.360 29.700 -0.159 0.000 1.093 199 E HN 0.359 nan 8.360 nan 0.000 0.401 200 R N 3.635 124.237 120.500 0.171 0.000 2.389 200 R HA 0.213 4.555 4.340 0.004 0.000 0.295 200 R C -0.352 176.041 176.300 0.156 0.000 1.075 200 R CA -0.249 55.931 56.100 0.133 0.000 1.005 200 R CB 0.877 31.228 30.300 0.085 0.000 0.987 200 R HN 0.536 nan 8.270 nan 0.000 0.452 201 S N 2.747 118.434 115.700 -0.022 0.000 2.533 201 S HA -0.007 4.465 4.470 0.004 0.000 0.282 201 S C 0.825 175.418 174.600 -0.012 0.000 1.304 201 S CA -0.586 57.538 58.200 -0.126 0.000 1.063 201 S CB 1.242 64.171 63.200 -0.451 0.000 0.881 201 S HN 0.571 nan 8.310 nan 0.000 0.493 202 V N 5.236 125.181 119.914 0.052 0.000 3.573 202 V HA 0.011 4.133 4.120 0.004 0.000 0.270 202 V C 1.932 177.965 176.094 -0.101 0.000 1.221 202 V CA 1.446 63.746 62.300 -0.000 0.000 1.163 202 V CB -0.700 31.157 31.823 0.056 0.000 0.847 202 V HN 1.032 nan 8.190 nan 0.000 0.468 203 S N -0.625 114.992 115.700 -0.140 0.000 2.481 203 S HA -0.002 4.470 4.470 0.004 0.000 0.231 203 S C 1.932 176.392 174.600 -0.233 0.000 0.996 203 S CA 0.895 58.953 58.200 -0.237 0.000 0.942 203 S CB -0.209 62.802 63.200 -0.316 0.000 0.768 203 S HN 0.573 nan 8.310 nan 0.000 0.520 204 G N 1.001 109.707 108.800 -0.157 0.000 2.598 204 G HA2 -0.004 3.959 3.960 0.004 0.000 0.215 204 G HA3 -0.004 3.959 3.960 0.004 0.000 0.215 204 G C 0.985 175.823 174.900 -0.104 0.000 1.131 204 G CA 0.719 45.742 45.100 -0.128 0.000 0.785 204 G HN 0.539 nan 8.290 nan 0.000 0.539 205 D N -0.401 119.942 120.400 -0.095 0.000 2.514 205 D HA 0.039 4.681 4.640 0.004 0.000 0.249 205 D C 2.612 178.866 176.300 -0.078 0.000 1.036 205 D CA 0.119 54.081 54.000 -0.063 0.000 0.911 205 D CB 0.222 40.996 40.800 -0.043 0.000 1.145 205 D HN 0.140 nan 8.370 nan 0.000 0.495 206 V N 1.432 121.273 119.914 -0.122 0.000 2.453 206 V HA -0.139 3.983 4.120 0.004 0.000 0.247 206 V C 2.587 178.574 176.094 -0.179 0.000 1.048 206 V CA 1.035 63.246 62.300 -0.148 0.000 1.049 206 V CB -0.195 31.527 31.823 -0.168 0.000 0.672 206 V HN 0.022 nan 8.190 nan 0.000 0.457 207 V N -0.085 119.705 119.914 -0.207 0.000 2.488 207 V HA -0.054 4.068 4.120 0.004 0.000 0.246 207 V C -0.012 175.939 176.094 -0.237 0.000 1.046 207 V CA 1.766 63.925 62.300 -0.237 0.000 1.053 207 V CB -1.536 30.103 31.823 -0.307 0.000 0.679 207 V HN 0.492 nan 8.190 nan 0.000 0.458 208 P HA -0.163 nan 4.420 nan 0.000 0.216 208 P C 1.706 178.862 177.300 -0.241 0.000 1.150 208 P CA 1.388 64.396 63.100 -0.154 0.000 0.837 208 P CB 0.015 31.706 31.700 -0.015 0.000 0.786 209 K N -0.480 119.786 120.400 -0.224 0.000 2.155 209 K HA -0.038 4.284 4.320 0.004 0.000 0.203 209 K C 1.891 178.247 176.600 -0.406 0.000 1.052 209 K CA 1.042 57.079 56.287 -0.417 0.000 0.948 209 K CB -0.372 32.002 32.500 -0.210 0.000 0.728 209 K HN -0.050 nan 8.250 nan 0.000 0.448 210 A N 1.553 124.195 122.820 -0.297 0.000 1.877 210 A HA -0.145 4.177 4.320 0.004 0.000 0.216 210 A C 2.043 179.569 177.584 -0.096 0.000 1.186 210 A CA 1.343 53.286 52.037 -0.156 0.000 0.620 210 A CB -0.554 18.458 19.000 0.018 0.000 0.822 210 A HN 0.283 nan 8.150 nan 0.000 0.443 211 I N -0.148 120.300 120.570 -0.203 0.000 2.163 211 I HA -0.320 3.852 4.170 0.004 0.000 0.243 211 I C 3.011 179.001 176.117 -0.211 0.000 1.085 211 I CA 1.117 62.283 61.300 -0.223 0.000 1.347 211 I CB -0.416 37.386 38.000 -0.330 0.000 1.044 211 I HN 0.376 nan 8.210 nan 0.000 0.408 212 A N 0.581 123.202 122.820 -0.331 0.000 1.873 212 A HA -0.274 4.048 4.320 0.004 0.000 0.218 212 A C 1.971 179.431 177.584 -0.207 0.000 1.193 212 A CA 2.329 54.146 52.037 -0.368 0.000 0.629 212 A CB -0.698 17.763 19.000 -0.898 0.000 0.826 212 A HN 0.382 nan 8.150 nan 0.000 0.447 213 D N -0.374 119.910 120.400 -0.194 0.000 2.269 213 D HA 0.075 4.717 4.640 0.004 0.000 0.208 213 D C 2.080 178.435 176.300 0.092 0.000 0.963 213 D CA 1.139 55.102 54.000 -0.061 0.000 0.864 213 D CB -0.222 40.490 40.800 -0.147 0.000 0.936 213 D HN 0.456 nan 8.370 nan 0.000 0.505 214 A N 0.471 123.349 122.820 0.097 0.000 1.929 214 A HA -0.074 4.248 4.320 0.004 0.000 0.216 214 A C 2.477 180.110 177.584 0.082 0.000 1.176 214 A CA 0.701 52.803 52.037 0.108 0.000 0.628 214 A CB -0.533 18.508 19.000 0.068 0.000 0.816 214 A HN 0.113 nan 8.150 nan 0.000 0.444 215 V N 0.234 120.152 119.914 0.007 0.000 2.295 215 V HA -0.279 3.843 4.120 0.004 0.000 0.246 215 V C 2.632 178.789 176.094 0.105 0.000 1.049 215 V CA 2.252 64.551 62.300 -0.001 0.000 1.024 215 V CB -0.829 30.944 31.823 -0.084 0.000 0.648 215 V HN 0.518 nan 8.190 nan 0.000 0.447 216 R N 0.060 120.599 120.500 0.066 0.000 2.091 216 R HA -0.167 4.175 4.340 0.004 0.000 0.238 216 R C 2.365 178.738 176.300 0.121 0.000 1.136 216 R CA 1.591 57.742 56.100 0.085 0.000 0.959 216 R CB -0.584 29.744 30.300 0.046 0.000 0.856 216 R HN 0.551 nan 8.270 nan 0.000 0.437 217 A N -0.156 122.745 122.820 0.135 0.000 2.014 217 A HA -0.171 4.151 4.320 0.004 0.000 0.218 217 A C 1.824 179.502 177.584 0.157 0.000 1.163 217 A CA 0.803 52.919 52.037 0.133 0.000 0.652 217 A CB -0.622 18.462 19.000 0.139 0.000 0.808 217 A HN 0.613 nan 8.150 nan 0.000 0.449 218 W N 0.067 121.367 121.300 -0.000 0.000 2.409 218 W HA -0.104 4.559 4.660 0.005 0.000 0.299 218 W C 1.883 178.399 176.519 -0.004 0.000 1.203 218 W CA 1.725 59.065 57.345 -0.009 0.000 1.298 218 W CB -0.201 29.234 29.460 -0.042 0.000 1.127 218 W HN 0.071 nan 8.180 nan 0.000 0.528 219 V N 1.003 121.104 119.914 0.311 0.000 2.332 219 V HA -0.328 3.794 4.120 0.004 0.000 0.248 219 V C 2.165 178.250 176.094 -0.015 0.000 1.055 219 V CA 2.547 64.939 62.300 0.155 0.000 1.038 219 V CB -0.765 31.183 31.823 0.209 0.000 0.651 219 V HN 0.211 nan 8.190 nan 0.000 0.450 220 E N -0.470 119.737 120.200 0.012 0.000 2.158 220 E HA -0.208 4.144 4.350 0.004 0.000 0.191 220 E C 2.212 178.778 176.600 -0.056 0.000 0.982 220 E CA 1.291 57.690 56.400 -0.003 0.000 0.823 220 E CB -0.189 29.526 29.700 0.026 0.000 0.766 220 E HN 0.705 nan 8.360 nan 0.000 0.468 221 Q N -0.081 119.657 119.800 -0.103 0.000 2.020 221 Q HA -0.219 4.123 4.340 0.004 0.000 0.202 221 Q C 1.858 177.744 176.000 -0.190 0.000 0.982 221 Q CA 1.608 57.331 55.803 -0.134 0.000 0.838 221 Q CB -0.050 28.598 28.738 -0.150 0.000 0.899 221 Q HN 0.242 nan 8.270 nan 0.000 0.423 222 Q N 0.088 119.677 119.800 -0.351 0.000 2.369 222 Q HA -0.039 4.303 4.340 0.004 0.000 0.206 222 Q C -0.163 175.738 176.000 -0.166 0.000 0.963 222 Q CA 0.609 56.205 55.803 -0.346 0.000 0.894 222 Q CB 0.360 28.676 28.738 -0.704 0.000 0.965 222 Q HN 0.287 nan 8.270 nan 0.000 0.475 223 K N -0.001 120.335 120.400 -0.108 0.000 3.239 223 K HA -0.202 4.120 4.320 0.004 0.000 0.270 223 K C 0.351 176.955 176.600 0.007 0.000 1.049 223 K CA 0.290 56.557 56.287 -0.032 0.000 0.769 223 K CB -2.556 29.922 32.500 -0.037 0.000 1.305 223 K HN 0.235 nan 8.250 nan 0.000 0.469 224 F N 0.711 120.587 119.950 -0.124 0.000 2.250 224 F HA -0.211 4.318 4.527 0.003 0.000 0.301 224 F C 2.174 177.975 175.800 0.002 0.000 1.077 224 F CA 1.778 59.740 58.000 -0.063 0.000 1.348 224 F CB -0.054 38.969 39.000 0.037 0.000 1.040 224 F HN 0.404 nan 8.300 nan 0.000 0.509 225 A N -1.000 121.794 122.820 -0.043 0.000 1.865 225 A HA -0.233 4.090 4.320 0.004 0.000 0.217 225 A C 2.413 179.903 177.584 -0.156 0.000 1.191 225 A CA 2.024 53.989 52.037 -0.119 0.000 0.623 225 A CB -1.469 17.519 19.000 -0.020 0.000 0.826 225 A HN 0.396 nan 8.150 nan 0.000 0.444 226 S N -1.268 114.375 115.700 -0.096 0.000 2.453 226 S HA -0.060 4.412 4.470 0.004 0.000 0.231 226 S C 1.817 176.370 174.600 -0.079 0.000 1.005 226 S CA 1.138 59.294 58.200 -0.075 0.000 0.949 226 S CB -0.422 62.752 63.200 -0.044 0.000 0.774 226 S HN 0.353 nan 8.310 nan 0.000 0.510 227 L N 1.902 123.055 121.223 -0.118 0.000 2.056 227 L HA 0.125 4.467 4.340 0.004 0.000 0.207 227 L C 2.425 179.245 176.870 -0.084 0.000 1.078 227 L CA 1.653 56.453 54.840 -0.067 0.000 0.749 227 L CB -0.663 41.365 42.059 -0.051 0.000 0.901 227 L HN 0.232 nan 8.230 nan 0.000 0.433 228 R N -0.925 119.384 120.500 -0.318 0.000 2.070 228 R HA -0.123 4.219 4.340 0.004 0.000 0.233 228 R C 2.244 178.522 176.300 -0.037 0.000 1.137 228 R CA 1.386 57.356 56.100 -0.217 0.000 0.945 228 R CB -0.759 29.326 30.300 -0.359 0.000 0.845 228 R HN 0.449 nan 8.270 nan 0.000 0.430 229 A N 0.651 123.424 122.820 -0.079 0.000 1.948 229 A HA -0.205 4.118 4.320 0.004 0.000 0.220 229 A C 2.201 179.742 177.584 -0.071 0.000 1.177 229 A CA 2.051 54.052 52.037 -0.060 0.000 0.636 229 A CB -0.469 18.490 19.000 -0.069 0.000 0.815 229 A HN 0.277 nan 8.150 nan 0.000 0.449 230 S N -1.790 113.873 115.700 -0.062 0.000 2.357 230 S HA -0.137 4.335 4.470 0.004 0.000 0.221 230 S C 1.600 176.099 174.600 -0.168 0.000 1.031 230 S CA 0.688 58.796 58.200 -0.152 0.000 0.982 230 S CB -0.518 62.656 63.200 -0.044 0.000 0.853 230 S HN 0.761 nan 8.310 nan 0.000 0.458 231 W N 2.783 124.042 121.300 -0.068 0.000 2.302 231 W HA -0.226 4.435 4.660 0.003 0.000 0.320 231 W C 1.810 178.345 176.519 0.027 0.000 1.241 231 W CA 1.905 59.302 57.345 0.087 0.000 1.264 231 W CB -0.419 29.054 29.460 0.022 0.000 1.154 231 W HN 0.434 nan 8.180 nan 0.000 0.483 232 E N -0.245 120.047 120.200 0.153 0.000 2.153 232 E HA -0.298 4.054 4.350 0.004 0.000 0.194 232 E C 1.942 178.487 176.600 -0.091 0.000 0.988 232 E CA 1.346 57.778 56.400 0.054 0.000 0.811 232 E CB -0.402 29.331 29.700 0.055 0.000 0.746 232 E HN 0.196 nan 8.360 nan 0.000 0.466 233 Q N 0.182 119.842 119.800 -0.232 0.000 2.234 233 Q HA -0.161 4.182 4.340 0.004 0.000 0.206 233 Q C 1.421 177.233 176.000 -0.313 0.000 0.980 233 Q CA 1.389 57.008 55.803 -0.307 0.000 0.869 233 Q CB -0.156 28.329 28.738 -0.422 0.000 0.912 233 Q HN 0.219 nan 8.270 nan 0.000 0.436 234 F N -0.572 119.288 119.950 -0.150 0.000 2.456 234 F HA 0.040 4.569 4.527 0.003 0.000 0.298 234 F C 1.630 177.324 175.800 -0.178 0.000 1.104 234 F CA 0.620 58.503 58.000 -0.195 0.000 1.435 234 F CB -0.160 38.644 39.000 -0.326 0.000 1.078 234 F HN 0.099 nan 8.300 nan 0.000 0.546 235 Q N -0.142 119.656 119.800 -0.003 0.000 2.280 235 Q HA 0.081 4.423 4.340 0.004 0.000 0.202 235 Q C 0.269 176.269 176.000 -0.000 0.000 0.903 235 Q CA 0.115 55.916 55.803 -0.004 0.000 0.948 235 Q CB -0.084 28.665 28.738 0.017 0.000 1.058 235 Q HN 0.108 nan 8.270 nan 0.000 0.493 236 Q N 0.744 120.535 119.800 -0.014 0.000 3.027 236 Q HA 0.179 4.521 4.340 0.004 0.000 0.260 236 Q C -0.556 175.439 176.000 -0.009 0.000 1.379 236 Q CA 0.101 55.894 55.803 -0.016 0.000 1.038 236 Q CB -0.184 28.534 28.738 -0.033 0.000 1.578 236 Q HN 0.301 nan 8.270 nan 0.000 0.571 248 G N 1.595 110.479 108.800 0.141 0.000 2.730 248 G HA2 0.549 4.511 3.960 0.004 0.000 0.291 248 G HA3 0.549 4.511 3.960 0.004 0.000 0.291 248 G C -0.629 174.366 174.900 0.157 0.000 1.456 248 G CA -0.250 44.922 45.100 0.119 0.000 0.996 248 G HN -0.018 nan 8.290 nan 0.000 0.528 249 V N 2.191 122.163 119.914 0.098 0.000 3.178 249 V HA 0.037 4.160 4.120 0.004 0.000 0.306 249 V C 0.740 176.822 176.094 -0.019 0.000 1.107 249 V CA -0.209 62.143 62.300 0.086 0.000 1.195 249 V CB 0.941 32.783 31.823 0.032 0.000 0.993 249 V HN 0.579 nan 8.190 nan 0.000 0.493 250 L N 2.541 123.678 121.223 -0.143 0.000 2.349 250 L HA 0.308 4.650 4.340 0.004 0.000 0.275 250 L C 0.347 177.189 176.870 -0.046 0.000 1.115 250 L CA 0.205 54.909 54.840 -0.227 0.000 0.820 250 L CB 0.545 42.327 42.059 -0.461 0.000 1.135 250 L HN 0.623 nan 8.230 nan 0.000 0.445 251 D N 0.614 121.040 120.400 0.044 0.000 2.406 251 D HA -0.027 4.615 4.640 0.004 0.000 0.234 251 D C 1.162 177.567 176.300 0.175 0.000 1.196 251 D CA 0.653 54.714 54.000 0.102 0.000 0.881 251 D CB 0.752 41.635 40.800 0.138 0.000 1.205 251 D HN 0.722 nan 8.370 nan 0.000 0.453 252 T N -2.037 112.606 114.554 0.148 0.000 3.067 252 T HA 0.373 4.725 4.350 0.004 0.000 0.257 252 T C 0.564 175.450 174.700 0.310 0.000 1.105 252 T CA 0.137 62.349 62.100 0.187 0.000 1.104 252 T CB 0.284 69.208 68.868 0.093 0.000 0.925 252 T HN 0.431 nan 8.240 nan 0.000 0.498 253 A N 2.044 125.005 122.820 0.235 0.000 2.469 253 A HA 0.827 5.149 4.320 0.004 0.000 0.299 253 A C -2.783 174.776 177.584 -0.042 0.000 1.098 253 A CA -2.137 49.982 52.037 0.136 0.000 0.737 253 A CB 1.514 20.552 19.000 0.064 0.000 1.312 253 A HN 0.120 nan 8.150 nan 0.000 0.414 254 P HA 0.545 nan 4.420 nan 0.000 0.297 254 P C -0.505 176.626 177.300 -0.280 0.000 1.303 254 P CA -0.134 62.703 63.100 -0.438 0.000 0.753 254 P CB 0.817 32.036 31.700 -0.802 0.000 1.281 255 V N -4.468 115.247 119.914 -0.332 0.000 3.159 255 V HA 0.528 4.650 4.120 0.004 0.000 0.308 255 V C -0.576 175.338 176.094 -0.300 0.000 1.190 255 V CA -1.109 61.036 62.300 -0.257 0.000 1.037 255 V CB 1.549 33.223 31.823 -0.248 0.000 1.060 255 V HN 0.192 nan 8.190 nan 0.000 0.437 256 V N 2.729 122.506 119.914 -0.227 0.000 2.406 256 V HA 0.415 4.537 4.120 0.004 0.000 0.272 256 V C -0.075 175.883 176.094 -0.227 0.000 1.043 256 V CA -0.226 61.950 62.300 -0.208 0.000 0.915 256 V CB 1.074 32.817 31.823 -0.133 0.000 0.988 256 V HN 0.812 nan 8.190 nan 0.000 0.466 257 L N 7.290 128.364 121.223 -0.248 0.000 2.260 257 L HA 0.470 4.812 4.340 0.004 0.000 0.289 257 L C -0.186 176.566 176.870 -0.197 0.000 1.057 257 L CA 0.388 55.073 54.840 -0.258 0.000 0.811 257 L CB 1.264 43.158 42.059 -0.275 0.000 1.184 257 L HN 0.436 nan 8.230 nan 0.000 0.429 258 V N 6.656 126.487 119.914 -0.138 0.000 2.348 258 V HA 0.233 4.355 4.120 0.004 0.000 0.270 258 V C -0.041 176.019 176.094 -0.056 0.000 1.037 258 V CA -0.597 61.681 62.300 -0.037 0.000 0.872 258 V CB 1.353 33.271 31.823 0.159 0.000 1.002 258 V HN 0.511 nan 8.190 nan 0.000 0.464 259 V N 7.250 127.047 119.914 -0.194 0.000 2.372 259 V HA 0.232 4.354 4.120 0.004 0.000 0.261 259 V C 0.246 176.307 176.094 -0.055 0.000 1.055 259 V CA -0.266 61.963 62.300 -0.118 0.000 0.930 259 V CB 0.913 32.666 31.823 -0.116 0.000 1.031 259 V HN 0.673 nan 8.190 nan 0.000 0.479 260 V N 2.906 122.793 119.914 -0.044 0.000 2.834 260 V HA 0.526 4.648 4.120 0.004 0.000 0.313 260 V C 0.067 176.103 176.094 -0.097 0.000 1.060 260 V CA -1.109 61.141 62.300 -0.082 0.000 0.989 260 V CB 1.129 32.879 31.823 -0.122 0.000 1.041 260 V HN 0.781 nan 8.190 nan 0.000 0.459 261 Q N 0.450 120.182 119.800 -0.114 0.000 2.368 261 Q HA 0.207 4.550 4.340 0.004 0.000 0.237 261 Q C 0.730 176.658 176.000 -0.120 0.000 0.987 261 Q CA -0.223 55.497 55.803 -0.139 0.000 0.896 261 Q CB 1.141 29.792 28.738 -0.145 0.000 1.241 261 Q HN 0.799 nan 8.270 nan 0.000 0.485 262 E N 0.588 120.715 120.200 -0.123 0.000 2.160 262 E HA -0.173 4.179 4.350 0.004 0.000 0.195 262 E C -0.351 176.200 176.600 -0.082 0.000 0.991 262 E CA 0.982 57.325 56.400 -0.094 0.000 0.810 262 E CB 0.172 29.818 29.700 -0.090 0.000 0.742 262 E HN 0.416 nan 8.360 nan 0.000 0.466 263 N N 1.355 120.001 118.700 -0.089 0.000 2.706 263 N HA 0.084 4.826 4.740 0.004 0.000 0.240 263 N C -1.510 173.950 175.510 -0.082 0.000 1.039 263 N CA -0.283 52.722 53.050 -0.076 0.000 0.888 263 N CB 0.997 39.444 38.487 -0.067 0.000 1.128 263 N HN 0.093 nan 8.380 nan 0.000 0.512 264 E N 2.027 122.173 120.200 -0.090 0.000 2.283 264 E HA 0.463 4.815 4.350 0.004 0.000 0.278 264 E C -0.363 176.183 176.600 -0.092 0.000 1.027 264 E CA -0.474 55.861 56.400 -0.107 0.000 0.843 264 E CB 1.557 31.163 29.700 -0.156 0.000 1.062 264 E HN 0.356 nan 8.360 nan 0.000 0.401 265 R N 1.366 121.812 120.500 -0.090 0.000 2.869 265 R HA 0.374 4.716 4.340 0.004 0.000 0.263 265 R C -0.658 175.583 176.300 -0.099 0.000 1.066 265 R CA -1.282 54.774 56.100 -0.074 0.000 0.960 265 R CB 0.796 31.066 30.300 -0.051 0.000 1.221 265 R HN 0.461 nan 8.270 nan 0.000 0.474 266 N N 0.358 119.003 118.700 -0.092 0.000 2.667 266 N HA -0.159 4.583 4.740 0.004 0.000 0.263 266 N C -0.208 175.226 175.510 -0.127 0.000 1.038 266 N CA 1.131 54.104 53.050 -0.128 0.000 0.749 266 N CB -0.873 37.481 38.487 -0.222 0.000 0.892 266 N HN 0.697 nan 8.380 nan 0.000 0.546 267 T N -1.023 113.486 114.554 -0.074 0.000 2.925 267 T HA 0.149 4.501 4.350 0.004 0.000 0.245 267 T C 1.949 176.682 174.700 0.055 0.000 1.025 267 T CA 0.920 62.990 62.100 -0.051 0.000 1.149 267 T CB -0.087 68.787 68.868 0.009 0.000 0.866 267 T HN 0.514 nan 8.240 nan 0.000 0.437 268 A N 2.153 125.014 122.820 0.069 0.000 1.896 268 A HA -0.298 4.025 4.320 0.004 0.000 0.220 268 A C 2.043 179.658 177.584 0.052 0.000 1.206 268 A CA 2.551 54.636 52.037 0.081 0.000 0.647 268 A CB -1.135 17.886 19.000 0.034 0.000 0.828 268 A HN 0.510 nan 8.150 nan 0.000 0.455 269 D N -0.620 119.774 120.400 -0.011 0.000 2.092 269 D HA -0.222 4.420 4.640 0.004 0.000 0.193 269 D C 2.397 178.654 176.300 -0.071 0.000 0.994 269 D CA 1.915 55.885 54.000 -0.049 0.000 0.828 269 D CB -0.241 40.484 40.800 -0.125 0.000 0.963 269 D HN 0.743 nan 8.370 nan 0.000 0.450 270 Q N -1.199 118.532 119.800 -0.115 0.000 2.172 270 Q HA -0.196 4.146 4.340 0.004 0.000 0.200 270 Q C 1.890 177.773 176.000 -0.195 0.000 0.964 270 Q CA 0.909 56.619 55.803 -0.155 0.000 0.855 270 Q CB -0.682 27.940 28.738 -0.193 0.000 0.918 270 Q HN 0.405 nan 8.270 nan 0.000 0.444 271 Y N 1.919 122.171 120.300 -0.080 0.000 2.114 271 Y HA -0.128 4.423 4.550 0.003 0.000 0.284 271 Y C 2.909 178.743 175.900 -0.109 0.000 1.143 271 Y CA 1.189 59.237 58.100 -0.087 0.000 1.135 271 Y CB -0.823 37.625 38.460 -0.021 0.000 0.980 271 Y HN 0.265 nan 8.280 nan 0.000 0.499 272 A N 0.061 122.929 122.820 0.081 0.000 1.958 272 A HA -0.224 4.098 4.320 0.004 0.000 0.221 272 A C 2.282 179.834 177.584 -0.053 0.000 1.178 272 A CA 2.037 54.078 52.037 0.006 0.000 0.642 272 A CB -1.110 17.885 19.000 -0.009 0.000 0.816 272 A HN 0.490 nan 8.150 nan 0.000 0.453 273 L N -1.203 119.962 121.223 -0.097 0.000 2.034 273 L HA -0.089 4.254 4.340 0.004 0.000 0.203 273 L C 2.604 179.351 176.870 -0.205 0.000 1.074 273 L CA 1.043 55.790 54.840 -0.154 0.000 0.748 273 L CB -0.636 41.317 42.059 -0.176 0.000 0.905 273 L HN 0.351 nan 8.230 nan 0.000 0.439 274 L N -0.862 120.164 121.223 -0.327 0.000 2.093 274 L HA -0.181 4.161 4.340 0.004 0.000 0.208 274 L C 2.746 179.325 176.870 -0.486 0.000 1.085 274 L CA 0.769 55.203 54.840 -0.677 0.000 0.755 274 L CB -0.388 40.848 42.059 -1.370 0.000 0.904 274 L HN 0.355 nan 8.230 nan 0.000 0.435 275 M N -0.582 118.919 119.600 -0.166 0.000 2.267 275 M HA -0.213 4.269 4.480 0.004 0.000 0.263 275 M C 2.269 178.598 176.300 0.049 0.000 1.063 275 M CA 1.568 56.914 55.300 0.077 0.000 1.090 275 M CB -1.016 31.646 32.600 0.104 0.000 1.392 275 M HN 0.235 nan 8.290 nan 0.000 0.422 276 R N -0.108 120.384 120.500 -0.014 0.000 2.066 276 R HA -0.036 4.307 4.340 0.004 0.000 0.224 276 R C 2.116 178.448 176.300 0.054 0.000 1.122 276 R CA 0.757 56.852 56.100 -0.008 0.000 0.974 276 R CB -0.021 30.262 30.300 -0.028 0.000 0.871 276 R HN 0.138 nan 8.270 nan 0.000 0.435 277 V N 1.732 121.696 119.914 0.084 0.000 2.363 277 V HA -0.305 3.817 4.120 0.004 0.000 0.254 277 V C 2.172 178.365 176.094 0.164 0.000 1.074 277 V CA 1.893 64.281 62.300 0.147 0.000 1.069 277 V CB -0.573 31.258 31.823 0.013 0.000 0.659 277 V HN 0.350 nan 8.190 nan 0.000 0.455 278 L N -0.279 121.060 121.223 0.193 0.000 2.071 278 L HA -0.014 4.328 4.340 0.004 0.000 0.201 278 L C 2.398 179.323 176.870 0.091 0.000 1.076 278 L CA 1.803 56.759 54.840 0.192 0.000 0.755 278 L CB -0.551 41.702 42.059 0.323 0.000 0.915 278 L HN 0.291 nan 8.230 nan 0.000 0.445 279 E N -0.701 119.537 120.200 0.064 0.000 2.046 279 E HA -0.235 4.117 4.350 0.004 0.000 0.190 279 E C 1.954 178.521 176.600 -0.055 0.000 0.982 279 E CA 1.320 57.725 56.400 0.008 0.000 0.800 279 E CB 0.027 29.731 29.700 0.006 0.000 0.756 279 E HN 0.611 nan 8.360 nan 0.000 0.449 280 E N 0.066 120.189 120.200 -0.128 0.000 2.060 280 E HA -0.112 4.240 4.350 0.004 0.000 0.189 280 E C 1.607 177.987 176.600 -0.367 0.000 0.974 280 E CA 0.823 57.039 56.400 -0.307 0.000 0.808 280 E CB 0.219 29.623 29.700 -0.492 0.000 0.768 280 E HN 0.261 nan 8.360 nan 0.000 0.453 281 H N -0.085 118.977 119.070 -0.015 0.000 2.586 281 H HA 0.262 4.820 4.556 0.003 0.000 0.273 281 H C 0.072 175.395 175.328 -0.008 0.000 0.997 281 H CA 0.439 56.476 56.048 -0.019 0.000 1.177 281 H CB 0.790 30.530 29.762 -0.037 0.000 1.471 281 H HN 0.066 nan 8.280 nan 0.000 0.538 282 R N 0.019 120.567 120.500 0.080 0.000 3.656 282 R HA -0.126 4.216 4.340 0.004 0.000 0.297 282 R C -0.408 175.922 176.300 0.051 0.000 1.166 282 R CA 0.350 56.481 56.100 0.053 0.000 0.799 282 R CB -2.982 27.342 30.300 0.040 0.000 1.285 282 R HN 0.364 nan 8.270 nan 0.000 0.477 283 I N 1.133 121.742 120.570 0.065 0.000 2.465 283 I HA 0.336 4.508 4.170 0.004 0.000 0.291 283 I C 0.798 176.932 176.117 0.028 0.000 1.014 283 I CA -0.948 60.368 61.300 0.027 0.000 1.093 283 I CB 1.943 39.947 38.000 0.007 0.000 1.267 283 I HN -0.143 nan 8.210 nan 0.000 0.431 284 R N 4.795 125.269 120.500 -0.044 0.000 2.490 284 R HA 0.408 4.751 4.340 0.004 0.000 0.280 284 R C -1.021 175.195 176.300 -0.141 0.000 1.077 284 R CA -0.214 55.799 56.100 -0.145 0.000 1.065 284 R CB 0.689 30.900 30.300 -0.147 0.000 1.003 284 R HN 0.422 nan 8.270 nan 0.000 0.470 285 F N 1.731 121.535 119.950 -0.244 0.000 2.495 285 F HA 0.604 5.134 4.527 0.004 0.000 0.327 285 F C -0.258 175.210 175.800 -0.554 0.000 1.103 285 F CA -1.536 56.232 58.000 -0.387 0.000 0.949 285 F CB 0.789 39.559 39.000 -0.383 0.000 1.142 285 F HN 0.338 nan 8.300 nan 0.000 0.457 286 I N 0.446 120.692 120.570 -0.540 0.000 2.569 286 I HA 0.647 4.819 4.170 0.004 0.000 0.296 286 I C -1.861 173.942 176.117 -0.523 0.000 1.028 286 I CA -0.915 60.015 61.300 -0.617 0.000 1.082 286 I CB 2.013 39.596 38.000 -0.696 0.000 1.264 286 I HN 0.477 nan 8.210 nan 0.000 0.429 287 F N 4.359 124.257 119.950 -0.086 0.000 2.410 287 F HA 0.718 5.246 4.527 0.002 0.000 0.349 287 F C 0.272 176.016 175.800 -0.093 0.000 1.117 287 F CA -0.396 57.559 58.000 -0.076 0.000 1.104 287 F CB 1.167 40.144 39.000 -0.038 0.000 1.122 287 F HN 0.442 nan 8.300 nan 0.000 0.483 288 R N 0.305 120.849 120.500 0.074 0.000 2.744 288 R HA 0.562 4.904 4.340 0.004 0.000 0.279 288 R C -0.565 175.732 176.300 -0.004 0.000 0.977 288 R CA -0.991 55.116 56.100 0.012 0.000 0.906 288 R CB 1.730 32.007 30.300 -0.038 0.000 1.197 288 R HN 0.711 nan 8.270 nan 0.000 0.463 289 T N -0.901 113.645 114.554 -0.013 0.000 2.918 289 T HA 0.320 4.672 4.350 0.004 0.000 0.283 289 T C 1.538 176.219 174.700 -0.032 0.000 1.001 289 T CA -0.793 61.283 62.100 -0.041 0.000 1.041 289 T CB 0.750 69.586 68.868 -0.054 0.000 1.028 289 T HN 0.413 nan 8.240 nan 0.000 0.511 290 L N 0.547 121.732 121.223 -0.063 0.000 1.990 290 L HA -0.172 4.170 4.340 0.004 0.000 0.213 290 L C 3.220 180.091 176.870 0.002 0.000 1.072 290 L CA 1.418 56.236 54.840 -0.037 0.000 0.755 290 L CB -0.529 41.450 42.059 -0.133 0.000 0.889 290 L HN 0.731 nan 8.230 nan 0.000 0.432 291 Q N 0.175 119.958 119.800 -0.029 0.000 2.082 291 Q HA -0.305 4.037 4.340 0.004 0.000 0.211 291 Q C 2.066 178.107 176.000 0.068 0.000 1.002 291 Q CA 2.147 57.955 55.803 0.008 0.000 0.868 291 Q CB -0.331 28.393 28.738 -0.022 0.000 0.931 291 Q HN 0.583 nan 8.270 nan 0.000 0.414 292 E N -0.086 120.139 120.200 0.042 0.000 2.110 292 E HA -0.142 4.210 4.350 0.004 0.000 0.193 292 E C 2.159 178.799 176.600 0.066 0.000 0.988 292 E CA 0.714 57.146 56.400 0.054 0.000 0.804 292 E CB -0.108 29.610 29.700 0.030 0.000 0.745 292 E HN 0.278 nan 8.360 nan 0.000 0.458 293 L N 0.508 121.767 121.223 0.060 0.000 2.275 293 L HA -0.165 4.177 4.340 0.004 0.000 0.215 293 L C 2.593 179.514 176.870 0.085 0.000 1.119 293 L CA 0.796 55.669 54.840 0.054 0.000 0.790 293 L CB -0.566 41.519 42.059 0.043 0.000 0.919 293 L HN 0.324 nan 8.230 nan 0.000 0.443 294 H N 0.818 119.906 119.070 0.031 0.000 2.394 294 H HA -0.203 4.355 4.556 0.003 0.000 0.297 294 H C 1.871 177.223 175.328 0.039 0.000 1.113 294 H CA 1.780 57.852 56.048 0.040 0.000 1.277 294 H CB 0.244 30.030 29.762 0.040 0.000 1.370 294 H HN 0.357 nan 8.280 nan 0.000 0.506 295 L N -0.563 120.628 121.223 -0.052 0.000 2.638 295 L HA 0.068 4.411 4.340 0.004 0.000 0.232 295 L C 2.201 179.054 176.870 -0.029 0.000 1.099 295 L CA 0.080 54.860 54.840 -0.101 0.000 0.883 295 L CB 0.419 42.478 42.059 0.000 0.000 1.136 295 L HN 0.110 nan 8.230 nan 0.000 0.492 296 S N -0.141 115.562 115.700 0.006 0.000 2.460 296 S HA 0.102 4.575 4.470 0.004 0.000 0.226 296 S C 0.526 175.144 174.600 0.030 0.000 1.057 296 S CA -0.173 58.044 58.200 0.029 0.000 0.948 296 S CB 0.206 63.428 63.200 0.036 0.000 0.822 296 S HN 0.103 nan 8.310 nan 0.000 0.512 297 L N 3.105 124.340 121.223 0.020 0.000 2.367 297 L HA 0.308 4.650 4.340 0.004 0.000 0.275 297 L C -0.434 176.455 176.870 0.032 0.000 1.129 297 L CA 0.642 55.501 54.840 0.030 0.000 0.839 297 L CB 0.229 42.306 42.059 0.029 0.000 1.133 297 L HN -0.070 nan 8.230 nan 0.000 0.453 298 K N 4.888 125.332 120.400 0.073 0.000 2.443 298 K HA 0.449 4.772 4.320 0.004 0.000 0.252 298 K C -1.309 175.330 176.600 0.065 0.000 0.933 298 K CA -1.000 55.306 56.287 0.032 0.000 0.792 298 K CB 1.978 34.505 32.500 0.046 0.000 1.185 298 K HN 0.345 nan 8.250 nan 0.000 0.425 299 L N 2.301 123.509 121.223 -0.024 0.000 2.418 299 L HA 0.263 4.605 4.340 0.004 0.000 0.265 299 L C -0.396 176.410 176.870 -0.107 0.000 1.143 299 L CA 0.189 55.048 54.840 0.031 0.000 0.809 299 L CB 0.250 42.325 42.059 0.027 0.000 1.124 299 L HN 0.529 nan 8.230 nan 0.000 0.456 300 H N -0.121 119.041 119.070 0.153 0.000 3.172 300 H HA 0.299 4.857 4.556 0.003 0.000 0.322 300 H C -0.571 174.866 175.328 0.183 0.000 1.003 300 H CA -0.261 55.908 56.048 0.201 0.000 1.466 300 H CB 1.681 31.673 29.762 0.384 0.000 1.673 300 H HN 0.542 nan 8.280 nan 0.000 0.512 301 S N 2.793 118.599 115.700 0.176 0.000 2.564 301 S HA 0.237 4.709 4.470 0.004 0.000 0.278 301 S C 1.001 175.690 174.600 0.148 0.000 1.333 301 S CA -0.173 58.105 58.200 0.130 0.000 1.048 301 S CB 0.311 63.542 63.200 0.052 0.000 0.900 301 S HN 0.649 nan 8.310 nan 0.000 0.505 302 I N 2.264 122.931 120.570 0.162 0.000 4.398 302 I HA 0.193 4.365 4.170 0.004 0.000 0.310 302 I C 0.616 176.809 176.117 0.126 0.000 1.232 302 I CA -0.040 61.358 61.300 0.163 0.000 1.312 302 I CB 0.162 38.335 38.000 0.288 0.000 1.347 302 I HN 0.507 nan 8.210 nan 0.000 0.454 303 S N 2.046 117.809 115.700 0.106 0.000 2.498 303 S HA 0.354 4.826 4.470 0.004 0.000 0.324 303 S C -1.662 172.968 174.600 0.050 0.000 1.071 303 S CA -1.570 56.672 58.200 0.070 0.000 1.113 303 S CB 1.008 64.242 63.200 0.056 0.000 0.976 303 S HN -0.152 nan 8.310 nan 0.000 0.462 304 P HA -0.219 nan 4.420 nan 0.000 0.222 304 P C 0.644 177.957 177.300 0.021 0.000 1.155 304 P CA 1.357 64.471 63.100 0.023 0.000 0.890 304 P CB 0.148 31.858 31.700 0.015 0.000 0.790 305 E N -0.865 119.345 120.200 0.017 0.000 2.359 305 E HA 0.003 4.355 4.350 0.004 0.000 0.187 305 E C 0.053 176.652 176.600 -0.001 0.000 1.081 305 E CA -0.042 56.361 56.400 0.006 0.000 0.929 305 E CB -0.149 29.552 29.700 0.000 0.000 1.086 305 E HN 0.354 nan 8.360 nan 0.000 0.462 306 Q N 0.864 120.672 119.800 0.013 0.000 2.379 306 Q HA 0.355 4.697 4.340 0.004 0.000 0.278 306 Q C -2.588 173.435 176.000 0.039 0.000 1.068 306 Q CA -2.579 53.231 55.803 0.012 0.000 0.816 306 Q CB 2.054 30.801 28.738 0.015 0.000 1.387 306 Q HN 0.077 nan 8.270 nan 0.000 0.413 307 P HA 0.052 nan 4.420 nan 0.000 0.265 307 P C -2.502 174.865 177.300 0.112 0.000 1.193 307 P CA -0.847 62.299 63.100 0.077 0.000 0.765 307 P CB -0.172 31.584 31.700 0.093 0.000 0.823 308 P HA 0.092 nan 4.420 nan 0.000 0.272 308 P C -0.304 177.122 177.300 0.209 0.000 1.230 308 P CA -0.412 62.782 63.100 0.157 0.000 0.788 308 P CB 0.435 32.212 31.700 0.128 0.000 0.949 309 L N 1.472 122.856 121.223 0.268 0.000 2.380 309 L HA 0.472 4.815 4.340 0.004 0.000 0.273 309 L C -0.238 176.789 176.870 0.261 0.000 1.138 309 L CA -0.455 54.568 54.840 0.306 0.000 0.832 309 L CB -0.106 42.148 42.059 0.324 0.000 1.124 309 L HN 0.452 nan 8.230 nan 0.000 0.454 310 A N 6.319 129.254 122.820 0.192 0.000 2.341 310 A HA 0.603 4.925 4.320 0.004 0.000 0.326 310 A C -0.488 177.148 177.584 0.085 0.000 1.402 310 A CA -0.409 51.707 52.037 0.132 0.000 0.957 310 A CB -0.053 18.986 19.000 0.065 0.000 1.151 310 A HN 0.895 nan 8.150 nan 0.000 0.533 311 V N 1.478 121.477 119.914 0.142 0.000 2.509 311 V HA 0.701 4.823 4.120 0.004 0.000 0.284 311 V C 0.046 176.172 176.094 0.054 0.000 1.047 311 V CA -0.697 61.626 62.300 0.038 0.000 0.952 311 V CB 1.094 32.864 31.823 -0.089 0.000 0.988 311 V HN 0.421 nan 8.190 nan 0.000 0.469 312 V N 3.705 123.625 119.914 0.010 0.000 2.483 312 V HA 0.481 4.604 4.120 0.004 0.000 0.295 312 V C 0.282 176.389 176.094 0.023 0.000 1.035 312 V CA -0.152 62.171 62.300 0.037 0.000 0.896 312 V CB 0.978 32.811 31.823 0.017 0.000 0.986 312 V HN 1.073 nan 8.190 nan 0.000 0.447 313 D N 3.311 123.743 120.400 0.053 0.000 3.012 313 D HA -0.174 4.468 4.640 0.004 0.000 0.222 313 D C 1.279 177.615 176.300 0.060 0.000 1.167 313 D CA 1.747 55.785 54.000 0.063 0.000 0.854 313 D CB -1.268 39.598 40.800 0.111 0.000 1.107 313 D HN 1.454 nan 8.370 nan 0.000 0.421 314 G N -0.120 108.709 108.800 0.047 0.000 2.283 314 G HA2 -0.301 3.661 3.960 0.004 0.000 0.280 314 G HA3 -0.301 3.661 3.960 0.004 0.000 0.280 314 G C 0.465 175.396 174.900 0.051 0.000 1.029 314 G CA 1.981 47.126 45.100 0.075 0.000 0.840 314 G HN 1.061 nan 8.290 nan 0.000 0.505 315 H N -5.241 113.749 119.070 -0.134 0.000 3.577 315 H HA 0.233 4.791 4.556 0.003 0.000 0.241 315 H C 0.196 175.395 175.328 -0.216 0.000 1.070 315 H CA -0.511 55.404 56.048 -0.223 0.000 1.114 315 H CB -0.009 29.588 29.762 -0.274 0.000 1.241 315 H HN 0.221 nan 8.280 nan 0.000 0.783 316 Y N 3.998 123.884 120.300 -0.690 0.000 2.486 316 Y HA 0.385 4.937 4.550 0.002 0.000 0.348 316 Y C -2.383 173.352 175.900 -0.274 0.000 1.000 316 Y CA -3.001 54.825 58.100 -0.456 0.000 1.253 316 Y CB 0.778 38.954 38.460 -0.473 0.000 1.140 316 Y HN 0.191 nan 8.280 nan 0.000 0.526 317 P HA 0.129 nan 4.420 nan 0.000 0.281 317 P C -0.681 176.422 177.300 -0.328 0.000 1.252 317 P CA -0.187 62.831 63.100 -0.137 0.000 0.778 317 P CB 0.910 32.546 31.700 -0.107 0.000 0.895 318 I N 2.860 123.207 120.570 -0.373 0.000 2.307 318 I HA 0.236 4.408 4.170 0.004 0.000 0.289 318 I C 1.342 176.930 176.117 -0.882 0.000 1.021 318 I CA -0.635 60.377 61.300 -0.480 0.000 1.224 318 I CB 0.182 38.003 38.000 -0.299 0.000 1.376 318 I HN 0.404 nan 8.210 nan 0.000 0.470 319 A N 5.974 128.161 122.820 -1.055 0.000 1.984 319 A HA 0.243 4.565 4.320 0.004 0.000 0.214 319 A C 0.794 177.927 177.584 -0.752 0.000 1.173 319 A CA 0.654 51.810 52.037 -1.468 0.000 0.673 319 A CB 0.418 18.817 19.000 -1.001 0.000 0.830 319 A HN 0.425 nan 8.150 nan 0.000 0.453 320 V N -0.301 119.338 119.914 -0.457 0.000 2.668 320 V HA 0.586 4.708 4.120 0.004 0.000 0.304 320 V C -0.593 175.362 176.094 -0.232 0.000 1.071 320 V CA -0.464 61.683 62.300 -0.256 0.000 0.894 320 V CB 1.534 33.246 31.823 -0.184 0.000 1.008 320 V HN 0.435 nan 8.190 nan 0.000 0.425 321 A N 4.825 127.524 122.820 -0.202 0.000 2.341 321 A HA 0.596 4.918 4.320 0.004 0.000 0.326 321 A C -0.998 176.382 177.584 -0.340 0.000 1.402 321 A CA -0.263 51.570 52.037 -0.339 0.000 0.957 321 A CB -0.082 18.684 19.000 -0.389 0.000 1.151 321 A HN 0.879 nan 8.150 nan 0.000 0.533 322 Y N 3.841 123.898 120.300 -0.404 0.000 2.518 322 Y HA 0.544 5.096 4.550 0.003 0.000 0.344 322 Y C -1.166 174.576 175.900 -0.264 0.000 0.982 322 Y CA -1.909 56.046 58.100 -0.241 0.000 1.234 322 Y CB -0.136 38.225 38.460 -0.165 0.000 1.114 322 Y HN 0.516 nan 8.280 nan 0.000 0.515 323 F N 6.000 125.836 119.950 -0.190 0.000 2.471 323 F HA 0.323 4.852 4.527 0.004 0.000 0.365 323 F C 0.989 176.481 175.800 -0.513 0.000 1.095 323 F CA -0.139 57.700 58.000 -0.269 0.000 1.174 323 F CB 0.656 39.610 39.000 -0.076 0.000 1.105 323 F HN 0.306 nan 8.300 nan 0.000 0.535 324 R N 2.188 122.492 120.500 -0.328 0.000 2.702 324 R HA 0.227 4.569 4.340 0.004 0.000 0.314 324 R C -0.187 176.112 176.300 -0.002 0.000 1.152 324 R CA -0.089 55.854 56.100 -0.261 0.000 1.097 324 R CB -0.384 29.729 30.300 -0.312 0.000 1.343 324 R HN 0.777 nan 8.270 nan 0.000 0.575 325 S N -2.715 113.068 115.700 0.139 0.000 2.714 325 S HA 0.189 4.662 4.470 0.004 0.000 0.280 325 S C 0.301 174.962 174.600 0.102 0.000 1.200 325 S CA 0.286 58.579 58.200 0.154 0.000 0.900 325 S CB 1.209 64.389 63.200 -0.033 0.000 1.235 325 S HN 0.245 nan 8.310 nan 0.000 0.512 326 T N -1.752 112.698 114.554 -0.173 0.000 6.974 326 T HA -0.334 4.018 4.350 0.004 0.000 0.287 326 T C 0.823 175.667 174.700 0.240 0.000 2.146 326 T CA 2.413 64.419 62.100 -0.157 0.000 3.451 326 T CB -3.154 65.636 68.868 -0.129 0.000 1.630 326 T HN 1.840 nan 8.240 nan 0.000 1.173 327 Y N 1.367 121.702 120.300 0.059 0.000 2.365 327 Y HA 0.613 5.165 4.550 0.003 0.000 0.293 327 Y C 1.186 177.169 175.900 0.139 0.000 1.119 327 Y CA -0.033 58.110 58.100 0.072 0.000 1.203 327 Y CB -0.277 38.117 38.460 -0.109 0.000 1.026 327 Y HN 0.664 nan 8.280 nan 0.000 0.549 328 V N -2.604 117.048 119.914 -0.436 0.000 2.630 328 V HA 0.414 4.536 4.120 0.004 0.000 0.305 328 V C -1.920 173.909 176.094 -0.441 0.000 1.046 328 V CA -2.770 59.256 62.300 -0.457 0.000 0.934 328 V CB 1.591 33.142 31.823 -0.454 0.000 1.003 328 V HN -0.197 nan 8.190 nan 0.000 0.451 329 P HA -0.196 nan 4.420 nan 0.000 0.218 329 P C 1.211 178.511 177.300 0.001 0.000 1.152 329 P CA 1.780 64.631 63.100 -0.414 0.000 0.857 329 P CB 0.215 31.664 31.700 -0.417 0.000 0.787 330 E N -1.062 119.057 120.200 -0.135 0.000 2.338 330 E HA -0.112 4.240 4.350 0.004 0.000 0.197 330 E C 1.044 177.552 176.600 -0.153 0.000 1.007 330 E CA 0.763 57.101 56.400 -0.104 0.000 0.849 330 E CB -0.773 28.848 29.700 -0.133 0.000 0.774 330 E HN 0.331 nan 8.360 nan 0.000 0.506 331 D N -0.515 119.722 120.400 -0.272 0.000 2.324 331 D HA -0.023 4.620 4.640 0.004 0.000 0.235 331 D C -0.545 175.311 176.300 -0.740 0.000 1.095 331 D CA 0.380 54.099 54.000 -0.468 0.000 0.871 331 D CB -0.023 40.431 40.800 -0.577 0.000 0.906 331 D HN 0.170 nan 8.370 nan 0.000 0.522 332 F N 0.680 120.499 119.950 -0.219 0.000 2.523 332 F HA 0.251 4.781 4.527 0.005 0.000 0.322 332 F C -1.643 174.106 175.800 -0.085 0.000 1.361 332 F CA -1.739 56.069 58.000 -0.320 0.000 1.151 332 F CB 1.496 40.129 39.000 -0.611 0.000 1.391 332 F HN -0.167 nan 8.300 nan 0.000 0.566 333 P HA 0.156 nan 4.420 nan 0.000 0.255 333 P C -0.458 176.896 177.300 0.091 0.000 1.301 333 P CA 0.447 63.585 63.100 0.062 0.000 0.817 333 P CB 0.525 32.221 31.700 -0.006 0.000 1.259 334 T N -1.591 113.047 114.554 0.141 0.000 2.886 334 T HA 0.114 4.466 4.350 0.004 0.000 0.330 334 T C 0.164 175.016 174.700 0.255 0.000 1.488 334 T CA -0.546 61.633 62.100 0.133 0.000 1.054 334 T CB 1.309 70.194 68.868 0.027 0.000 1.348 334 T HN -0.280 nan 8.240 nan 0.000 0.489 335 D N 1.253 121.778 120.400 0.209 0.000 2.133 335 D HA -0.128 4.514 4.640 0.004 0.000 0.195 335 D C 2.289 178.711 176.300 0.203 0.000 0.997 335 D CA 1.756 55.897 54.000 0.235 0.000 0.840 335 D CB -0.419 40.445 40.800 0.107 0.000 0.947 335 D HN 0.677 nan 8.370 nan 0.000 0.452 336 A N 0.610 123.454 122.820 0.039 0.000 1.917 336 A HA -0.228 4.094 4.320 0.004 0.000 0.219 336 A C 2.374 180.003 177.584 0.074 0.000 1.182 336 A CA 2.590 54.577 52.037 -0.084 0.000 0.633 336 A CB -1.040 17.670 19.000 -0.484 0.000 0.819 336 A HN 0.310 nan 8.150 nan 0.000 0.448 337 T N -1.780 112.818 114.554 0.074 0.000 2.746 337 T HA -0.213 4.139 4.350 0.004 0.000 0.267 337 T C 1.537 176.319 174.700 0.137 0.000 1.039 337 T CA 1.449 63.572 62.100 0.039 0.000 1.142 337 T CB -0.406 68.420 68.868 -0.070 0.000 0.866 337 T HN 0.728 nan 8.240 nan 0.000 0.444 338 W N 1.519 122.963 121.300 0.241 0.000 2.409 338 W HA 0.228 4.890 4.660 0.004 0.000 0.299 338 W C 2.919 179.514 176.519 0.126 0.000 1.203 338 W CA 0.364 57.821 57.345 0.186 0.000 1.298 338 W CB -0.613 28.881 29.460 0.057 0.000 1.127 338 W HN 0.216 nan 8.180 nan 0.000 0.528 339 A N 0.853 123.872 122.820 0.331 0.000 1.873 339 A HA -0.228 4.094 4.320 0.004 0.000 0.218 339 A C 2.080 179.792 177.584 0.214 0.000 1.193 339 A CA 2.896 55.075 52.037 0.236 0.000 0.629 339 A CB -1.394 17.746 19.000 0.234 0.000 0.826 339 A HN 0.232 nan 8.150 nan 0.000 0.447 340 A N -0.771 122.179 122.820 0.216 0.000 1.930 340 A HA -0.111 4.211 4.320 0.004 0.000 0.217 340 A C 2.177 179.873 177.584 0.186 0.000 1.175 340 A CA 2.094 54.238 52.037 0.178 0.000 0.627 340 A CB -0.402 18.692 19.000 0.157 0.000 0.815 340 A HN 0.482 nan 8.150 nan 0.000 0.443 341 R N -0.365 120.269 120.500 0.223 0.000 2.092 341 R HA -0.033 4.309 4.340 0.004 0.000 0.231 341 R C 1.838 178.281 176.300 0.239 0.000 1.119 341 R CA 1.578 57.836 56.100 0.264 0.000 0.970 341 R CB -0.814 29.681 30.300 0.326 0.000 0.864 341 R HN 0.439 nan 8.270 nan 0.000 0.440 342 L N -0.130 121.224 121.223 0.217 0.000 2.093 342 L HA 0.014 4.356 4.340 0.004 0.000 0.208 342 L C 2.139 179.082 176.870 0.122 0.000 1.085 342 L CA 1.858 56.790 54.840 0.153 0.000 0.755 342 L CB -0.880 41.258 42.059 0.130 0.000 0.904 342 L HN 0.203 nan 8.230 nan 0.000 0.435 343 S N -0.632 115.144 115.700 0.128 0.000 2.353 343 S HA -0.172 4.300 4.470 0.004 0.000 0.222 343 S C 1.950 176.611 174.600 0.101 0.000 1.035 343 S CA 1.796 60.055 58.200 0.098 0.000 1.025 343 S CB -0.429 62.826 63.200 0.091 0.000 0.902 343 S HN 0.484 nan 8.310 nan 0.000 0.440 344 L N 0.789 122.088 121.223 0.128 0.000 1.989 344 L HA -0.172 4.171 4.340 0.004 0.000 0.211 344 L C 2.686 179.641 176.870 0.142 0.000 1.071 344 L CA 1.811 56.729 54.840 0.131 0.000 0.749 344 L CB -0.640 41.524 42.059 0.174 0.000 0.890 344 L HN 0.306 nan 8.230 nan 0.000 0.431 345 E N 0.402 120.700 120.200 0.163 0.000 2.038 345 E HA -0.273 4.079 4.350 0.004 0.000 0.195 345 E C 2.228 178.854 176.600 0.044 0.000 1.000 345 E CA 1.434 57.911 56.400 0.129 0.000 0.803 345 E CB -0.122 29.647 29.700 0.115 0.000 0.750 345 E HN 0.137 nan 8.360 nan 0.000 0.448 346 R N 0.593 121.109 120.500 0.026 0.000 2.139 346 R HA -0.129 4.213 4.340 0.004 0.000 0.243 346 R C 1.294 177.626 176.300 0.054 0.000 1.145 346 R CA 1.184 57.288 56.100 0.008 0.000 0.976 346 R CB -0.435 29.878 30.300 0.021 0.000 0.866 346 R HN 0.280 nan 8.270 nan 0.000 0.449 347 S N -1.067 114.684 115.700 0.086 0.000 2.632 347 S HA -0.046 4.426 4.470 0.004 0.000 0.254 347 S C 1.109 175.803 174.600 0.156 0.000 1.291 347 S CA 0.107 58.379 58.200 0.120 0.000 0.974 347 S CB 1.061 64.330 63.200 0.116 0.000 1.016 347 S HN 0.344 nan 8.310 nan 0.000 0.579 348 S N -0.367 115.462 115.700 0.216 0.000 2.556 348 S HA 0.451 4.923 4.470 0.004 0.000 0.216 348 S C 0.630 175.471 174.600 0.402 0.000 0.970 348 S CA -0.062 58.322 58.200 0.308 0.000 0.912 348 S CB -0.765 62.657 63.200 0.370 0.000 0.790 348 S HN 1.124 nan 8.310 nan 0.000 0.504 349 A N 2.071 125.015 122.820 0.207 0.000 2.477 349 A HA 0.520 4.842 4.320 0.004 0.000 0.246 349 A C 0.282 177.923 177.584 0.094 0.000 1.078 349 A CA -0.499 51.548 52.037 0.016 0.000 0.770 349 A CB -0.314 18.614 19.000 -0.120 0.000 1.011 349 A HN 0.603 nan 8.150 nan 0.000 0.494 350 I N 2.470 123.087 120.570 0.077 0.000 2.517 350 I HA 0.061 4.234 4.170 0.004 0.000 0.285 350 I C 0.483 176.628 176.117 0.047 0.000 1.106 350 I CA 0.464 61.822 61.300 0.097 0.000 1.402 350 I CB 0.338 38.395 38.000 0.096 0.000 1.399 350 I HN 0.621 nan 8.210 nan 0.000 0.535 351 K N 4.993 125.450 120.400 0.095 0.000 2.118 351 K HA 0.534 4.856 4.320 0.004 0.000 0.254 351 K C -0.908 175.804 176.600 0.187 0.000 0.961 351 K CA -0.581 55.799 56.287 0.155 0.000 0.876 351 K CB 1.997 34.670 32.500 0.287 0.000 1.077 351 K HN 0.557 nan 8.250 nan 0.000 0.440 352 C N 4.167 123.652 119.300 0.308 0.000 3.287 352 C HA 0.425 4.887 4.460 0.004 0.000 0.260 352 C C -2.824 172.466 174.990 0.499 0.000 1.133 352 C CA -1.658 57.576 59.018 0.361 0.000 1.402 352 C CB -0.018 27.916 27.740 0.323 0.000 1.832 352 C HN 0.587 nan 8.230 nan 0.000 0.509 353 P HA 0.333 nan 4.420 nan 0.000 0.293 353 P C -0.068 177.427 177.300 0.324 0.000 1.291 353 P CA 0.166 63.505 63.100 0.398 0.000 0.867 353 P CB 1.589 33.522 31.700 0.389 0.000 1.074 354 S N 2.768 118.566 115.700 0.164 0.000 2.572 354 S HA 0.025 4.497 4.470 0.004 0.000 0.267 354 S C 1.646 176.354 174.600 0.180 0.000 1.361 354 S CA -0.379 57.905 58.200 0.140 0.000 1.009 354 S CB -0.223 62.954 63.200 -0.038 0.000 0.888 354 S HN 0.285 nan 8.310 nan 0.000 0.553 355 I N 2.124 122.779 120.570 0.141 0.000 2.118 355 I HA -0.076 4.097 4.170 0.004 0.000 0.241 355 I C -0.452 175.709 176.117 0.073 0.000 1.070 355 I CA 1.042 62.393 61.300 0.085 0.000 1.327 355 I CB -3.005 35.016 38.000 0.036 0.000 1.034 355 I HN 0.537 nan 8.210 nan 0.000 0.405 356 P HA -0.235 nan 4.420 nan 0.000 0.218 356 P C 1.792 179.269 177.300 0.294 0.000 1.165 356 P CA 1.892 65.042 63.100 0.084 0.000 0.922 356 P CB -0.363 31.375 31.700 0.064 0.000 0.794 357 Y N -1.459 118.912 120.300 0.119 0.000 2.128 357 Y HA -0.233 4.319 4.550 0.004 0.000 0.284 357 Y C 2.832 178.820 175.900 0.146 0.000 1.154 357 Y CA 1.048 59.231 58.100 0.138 0.000 1.149 357 Y CB -1.927 36.689 38.460 0.259 0.000 0.976 357 Y HN 0.236 nan 8.280 nan 0.000 0.505 358 H N -0.277 118.943 119.070 0.251 0.000 2.289 358 H HA -0.186 4.372 4.556 0.003 0.000 0.296 358 H C 2.010 177.484 175.328 0.243 0.000 1.091 358 H CA 1.839 58.001 56.048 0.190 0.000 1.274 358 H CB -0.335 29.510 29.762 0.139 0.000 1.364 358 H HN 0.225 nan 8.280 nan 0.000 0.490 359 L N 0.318 121.771 121.223 0.384 0.000 2.450 359 L HA -0.143 4.199 4.340 0.004 0.000 0.224 359 L C 1.925 178.979 176.870 0.307 0.000 1.149 359 L CA 0.202 55.227 54.840 0.308 0.000 0.816 359 L CB -0.055 41.988 42.059 -0.026 0.000 0.932 359 L HN 0.333 nan 8.230 nan 0.000 0.449 360 L N -1.051 120.296 121.223 0.207 0.000 2.599 360 L HA -0.039 4.303 4.340 0.004 0.000 0.230 360 L C 2.195 179.107 176.870 0.070 0.000 1.141 360 L CA 0.849 55.750 54.840 0.101 0.000 0.877 360 L CB -0.200 41.840 42.059 -0.033 0.000 1.009 360 L HN 0.097 nan 8.230 nan 0.000 0.447 361 T N -1.036 113.596 114.554 0.130 0.000 2.978 361 T HA 0.012 4.364 4.350 0.004 0.000 0.262 361 T C 0.530 175.269 174.700 0.065 0.000 1.063 361 T CA 0.004 62.122 62.100 0.030 0.000 1.140 361 T CB -0.233 68.620 68.868 -0.026 0.000 0.886 361 T HN -0.054 nan 8.240 nan 0.000 0.470 362 F N 2.616 122.610 119.950 0.074 0.000 2.579 362 F HA -0.047 4.483 4.527 0.004 0.000 0.397 362 F C 1.588 177.415 175.800 0.045 0.000 1.027 362 F CA 0.184 58.229 58.000 0.075 0.000 1.217 362 F CB 0.430 39.470 39.000 0.067 0.000 0.986 362 F HN -0.047 nan 8.300 nan 0.000 0.551 363 K N 1.815 122.306 120.400 0.152 0.000 2.127 363 K HA -0.245 4.077 4.320 0.004 0.000 0.208 363 K C 2.074 178.755 176.600 0.134 0.000 1.047 363 K CA 1.240 57.590 56.287 0.106 0.000 0.927 363 K CB -0.078 32.468 32.500 0.077 0.000 0.716 363 K HN 0.370 nan 8.250 nan 0.000 0.450 364 K N 0.721 121.229 120.400 0.179 0.000 2.218 364 K HA -0.140 4.183 4.320 0.004 0.000 0.205 364 K C 1.693 178.358 176.600 0.109 0.000 1.046 364 K CA 1.339 57.703 56.287 0.128 0.000 0.933 364 K CB -0.037 32.525 32.500 0.104 0.000 0.728 364 K HN 0.097 nan 8.250 nan 0.000 0.454 365 L N -0.114 121.190 121.223 0.134 0.000 2.408 365 L HA 0.101 4.444 4.340 0.004 0.000 0.215 365 L C 2.365 179.327 176.870 0.153 0.000 1.081 365 L CA 0.597 55.522 54.840 0.141 0.000 0.840 365 L CB -0.309 41.837 42.059 0.145 0.000 1.002 365 L HN 0.068 nan 8.230 nan 0.000 0.468 366 Q N 0.135 120.006 119.800 0.120 0.000 2.224 366 Q HA -0.247 4.095 4.340 0.004 0.000 0.203 366 Q C 2.056 178.134 176.000 0.130 0.000 0.970 366 Q CA 1.495 57.360 55.803 0.102 0.000 0.865 366 Q CB 0.199 28.951 28.738 0.022 0.000 0.922 366 Q HN 0.624 nan 8.270 nan 0.000 0.445 367 Q N 0.094 119.962 119.800 0.112 0.000 2.016 367 Q HA -0.141 4.201 4.340 0.004 0.000 0.200 367 Q C 2.257 178.333 176.000 0.125 0.000 0.978 367 Q CA 0.955 56.819 55.803 0.100 0.000 0.833 367 Q CB -0.109 28.674 28.738 0.075 0.000 0.895 367 Q HN 0.398 nan 8.270 nan 0.000 0.427 368 L N 0.646 121.954 121.223 0.141 0.000 2.013 368 L HA -0.254 4.089 4.340 0.004 0.000 0.212 368 L C 2.544 179.527 176.870 0.188 0.000 1.073 368 L CA 1.114 56.055 54.840 0.169 0.000 0.753 368 L CB -0.457 41.740 42.059 0.231 0.000 0.890 368 L HN 0.364 nan 8.230 nan 0.000 0.432 369 L N -0.965 120.400 121.223 0.236 0.000 2.263 369 L HA -0.299 4.044 4.340 0.004 0.000 0.216 369 L C 2.545 179.592 176.870 0.294 0.000 1.111 369 L CA 0.917 55.929 54.840 0.286 0.000 0.773 369 L CB -0.585 41.714 42.059 0.399 0.000 0.906 369 L HN 0.478 nan 8.230 nan 0.000 0.439 370 C N -1.047 118.438 119.300 0.307 0.000 2.432 370 C HA -0.113 4.349 4.460 0.004 0.000 0.282 370 C C 1.386 176.344 174.990 -0.054 0.000 1.388 370 C CA -0.430 58.697 59.018 0.182 0.000 1.777 370 C CB -0.951 26.899 27.740 0.183 0.000 1.882 370 C HN 0.398 nan 8.230 nan 0.000 0.520 371 D N 1.437 121.835 120.400 -0.005 0.000 2.398 371 D HA -0.001 4.642 4.640 0.004 0.000 0.250 371 D C 0.923 177.184 176.300 -0.064 0.000 1.287 371 D CA 0.378 54.364 54.000 -0.024 0.000 0.992 371 D CB 0.753 41.570 40.800 0.028 0.000 1.071 371 D HN 0.191 nan 8.370 nan 0.000 0.514 372 V N 3.543 123.382 119.914 -0.125 0.000 3.444 372 V HA -0.099 4.023 4.120 0.004 0.000 0.271 372 V C 0.666 176.697 176.094 -0.104 0.000 1.188 372 V CA 1.326 63.526 62.300 -0.168 0.000 1.168 372 V CB 0.041 31.724 31.823 -0.233 0.000 0.810 372 V HN 0.400 nan 8.190 nan 0.000 0.500 373 D N -1.323 119.040 120.400 -0.063 0.000 2.448 373 D HA 0.177 4.819 4.640 0.004 0.000 0.256 373 D C 2.143 178.426 176.300 -0.029 0.000 1.108 373 D CA 0.150 54.123 54.000 -0.045 0.000 0.848 373 D CB 0.405 41.185 40.800 -0.034 0.000 1.281 373 D HN 0.376 nan 8.370 nan 0.000 0.509 374 R N -0.077 120.414 120.500 -0.016 0.000 2.225 374 R HA 0.189 4.531 4.340 0.004 0.000 0.194 374 R C 1.536 177.821 176.300 -0.026 0.000 0.957 374 R CA 0.469 56.567 56.100 -0.004 0.000 1.042 374 R CB 1.105 31.422 30.300 0.029 0.000 1.004 374 R HN -0.007 nan 8.270 nan 0.000 0.509 375 V N -0.006 119.892 119.914 -0.027 0.000 2.948 375 V HA -0.027 4.096 4.120 0.004 0.000 0.234 375 V C 1.698 177.748 176.094 -0.073 0.000 1.205 375 V CA 0.270 62.525 62.300 -0.075 0.000 1.234 375 V CB -0.258 31.591 31.823 0.044 0.000 1.020 375 V HN 0.052 nan 8.190 nan 0.000 0.491 376 L N 0.652 121.865 121.223 -0.016 0.000 1.976 376 L HA -0.075 4.268 4.340 0.004 0.000 0.209 376 L C 2.308 179.245 176.870 0.112 0.000 1.071 376 L CA 2.190 57.059 54.840 0.049 0.000 0.746 376 L CB -0.496 41.536 42.059 -0.045 0.000 0.890 376 L HN 0.134 nan 8.230 nan 0.000 0.432 377 V N 0.154 120.076 119.914 0.013 0.000 2.323 377 V HA -0.092 4.030 4.120 0.004 0.000 0.244 377 V C -0.337 175.773 176.094 0.026 0.000 1.041 377 V CA 1.889 64.202 62.300 0.022 0.000 1.025 377 V CB -1.693 30.102 31.823 -0.047 0.000 0.656 377 V HN 0.369 nan 8.190 nan 0.000 0.451 378 P HA -0.014 nan 4.420 nan 0.000 0.214 378 P C 1.878 179.116 177.300 -0.103 0.000 1.162 378 P CA 1.206 64.272 63.100 -0.056 0.000 0.871 378 P CB -0.017 31.641 31.700 -0.071 0.000 0.783 379 V N 0.134 119.934 119.914 -0.189 0.000 2.331 379 V HA -0.017 4.105 4.120 0.004 0.000 0.242 379 V C 2.387 178.331 176.094 -0.250 0.000 1.034 379 V CA 2.149 64.255 62.300 -0.323 0.000 1.027 379 V CB -1.809 29.586 31.823 -0.714 0.000 0.667 379 V HN 0.037 nan 8.190 nan 0.000 0.457 380 A N -2.093 120.609 122.820 -0.195 0.000 2.218 380 A HA 0.233 4.556 4.320 0.004 0.000 0.209 380 A C 1.561 178.867 177.584 -0.464 0.000 1.168 380 A CA 0.698 52.582 52.037 -0.255 0.000 0.804 380 A CB -0.247 18.649 19.000 -0.173 0.000 0.834 380 A HN 0.515 nan 8.150 nan 0.000 0.482 381 F N -2.893 117.003 119.950 -0.089 0.000 2.856 381 F HA 0.164 4.693 4.527 0.004 0.000 0.338 381 F C 0.786 176.547 175.800 -0.064 0.000 1.100 381 F CA -0.107 57.852 58.000 -0.069 0.000 1.150 381 F CB 0.270 39.225 39.000 -0.075 0.000 1.101 381 F HN 0.169 nan 8.300 nan 0.000 0.548 382 C N 0.981 120.303 119.300 0.036 0.000 4.356 382 C HA -0.026 4.436 4.460 0.004 0.000 0.296 382 C C 1.789 176.794 174.990 0.025 0.000 1.424 382 C CA 0.332 59.352 59.018 0.004 0.000 2.000 382 C CB -2.239 25.496 27.740 -0.008 0.000 1.262 382 C HN 1.094 nan 8.230 nan 0.000 0.789 383 G N -0.625 108.199 108.800 0.040 0.000 2.213 383 G HA2 -0.204 3.758 3.960 0.004 0.000 0.226 383 G HA3 -0.204 3.758 3.960 0.004 0.000 0.226 383 G C -0.103 174.805 174.900 0.012 0.000 0.992 383 G CA 0.414 45.523 45.100 0.014 0.000 0.632 383 G HN 0.663 nan 8.290 nan 0.000 0.511 384 D N 2.000 122.430 120.400 0.050 0.000 2.662 384 D HA 0.357 4.999 4.640 0.004 0.000 0.228 384 D C 2.073 178.319 176.300 -0.090 0.000 1.090 384 D CA 0.793 54.801 54.000 0.014 0.000 1.118 384 D CB -0.174 40.680 40.800 0.090 0.000 1.129 384 D HN 0.449 nan 8.370 nan 0.000 0.472 385 S N 0.825 116.466 115.700 -0.098 0.000 2.399 385 S HA -0.197 4.276 4.470 0.004 0.000 0.231 385 S C 1.635 176.117 174.600 -0.197 0.000 1.022 385 S CA 0.575 58.681 58.200 -0.157 0.000 0.983 385 S CB 0.033 63.168 63.200 -0.108 0.000 0.803 385 S HN 0.349 nan 8.310 nan 0.000 0.480 386 D N 1.892 122.206 120.400 -0.143 0.000 2.269 386 D HA -0.197 4.445 4.640 0.004 0.000 0.191 386 D C 1.978 178.153 176.300 -0.207 0.000 1.007 386 D CA 1.712 55.630 54.000 -0.136 0.000 0.855 386 D CB -0.272 40.477 40.800 -0.084 0.000 0.979 386 D HN 0.470 nan 8.370 nan 0.000 0.452 387 K N 0.100 120.349 120.400 -0.251 0.000 2.032 387 K HA -0.131 4.191 4.320 0.004 0.000 0.209 387 K C 2.168 178.317 176.600 -0.752 0.000 1.048 387 K CA 1.122 57.181 56.287 -0.379 0.000 0.927 387 K CB -0.197 32.148 32.500 -0.257 0.000 0.712 387 K HN 0.099 nan 8.250 nan 0.000 0.441 388 A N 0.928 123.109 122.820 -1.064 0.000 1.908 388 A HA -0.141 4.181 4.320 0.004 0.000 0.218 388 A C 2.347 179.593 177.584 -0.564 0.000 1.181 388 A CA 2.082 53.437 52.037 -1.136 0.000 0.627 388 A CB -1.198 17.367 19.000 -0.726 0.000 0.818 388 A HN 0.479 nan 8.150 nan 0.000 0.445 389 G N -0.595 107.974 108.800 -0.386 0.000 2.470 389 G HA2 -0.088 3.874 3.960 0.004 0.000 0.220 389 G HA3 -0.088 3.874 3.960 0.004 0.000 0.220 389 G C 1.457 176.241 174.900 -0.194 0.000 1.121 389 G CA 1.034 45.984 45.100 -0.250 0.000 0.766 389 G HN 0.460 nan 8.290 nan 0.000 0.553 390 L N -0.405 120.696 121.223 -0.203 0.000 2.095 390 L HA 0.150 4.493 4.340 0.004 0.000 0.204 390 L C 2.808 179.652 176.870 -0.042 0.000 1.080 390 L CA 0.247 55.019 54.840 -0.113 0.000 0.759 390 L CB -0.297 41.705 42.059 -0.096 0.000 0.914 390 L HN 0.137 nan 8.230 nan 0.000 0.439 391 L N -0.756 120.409 121.223 -0.097 0.000 1.994 391 L HA -0.229 4.113 4.340 0.004 0.000 0.208 391 L C 2.775 179.836 176.870 0.318 0.000 1.071 391 L CA 1.071 55.934 54.840 0.037 0.000 0.745 391 L CB -0.627 41.288 42.059 -0.240 0.000 0.892 391 L HN 0.388 nan 8.230 nan 0.000 0.431 392 Q N 0.753 120.589 119.800 0.061 0.000 2.188 392 Q HA -0.330 4.012 4.340 0.004 0.000 0.217 392 Q C 2.192 178.300 176.000 0.181 0.000 1.018 392 Q CA 2.134 57.913 55.803 -0.041 0.000 0.910 392 Q CB -0.341 28.261 28.738 -0.226 0.000 0.979 392 Q HN 0.437 nan 8.270 nan 0.000 0.413 393 R N -0.829 119.667 120.500 -0.006 0.000 2.178 393 R HA -0.182 4.160 4.340 0.004 0.000 0.257 393 R C 1.321 177.538 176.300 -0.138 0.000 1.163 393 R CA 1.608 57.608 56.100 -0.167 0.000 0.981 393 R CB -0.443 29.606 30.300 -0.418 0.000 0.878 393 R HN 0.522 nan 8.270 nan 0.000 0.454 394 H N -1.568 117.736 119.070 0.389 0.000 2.524 394 H HA 0.148 4.707 4.556 0.004 0.000 0.299 394 H C -0.421 175.087 175.328 0.300 0.000 1.074 394 H CA -0.122 56.162 56.048 0.394 0.000 1.115 394 H CB -0.172 29.918 29.762 0.547 0.000 1.522 394 H HN -0.018 nan 8.280 nan 0.000 0.543 395 F N 1.442 121.530 119.950 0.230 0.000 2.399 395 F HA 0.288 4.817 4.527 0.004 0.000 0.328 395 F C 0.531 176.414 175.800 0.139 0.000 1.084 395 F CA -1.073 57.040 58.000 0.189 0.000 1.053 395 F CB 1.639 40.710 39.000 0.119 0.000 1.209 395 F HN -0.178 nan 8.300 nan 0.000 0.502 396 V N 1.444 121.502 119.914 0.239 0.000 2.376 396 V HA 0.461 4.583 4.120 0.004 0.000 0.287 396 V C -2.677 173.506 176.094 0.148 0.000 1.015 396 V CA -2.655 59.751 62.300 0.176 0.000 0.834 396 V CB 0.833 32.746 31.823 0.151 0.000 1.001 396 V HN 0.480 nan 8.190 nan 0.000 0.428 397 P HA 0.165 nan 4.420 nan 0.000 0.261 397 P C -0.442 176.723 177.300 -0.225 0.000 1.183 397 P CA 0.610 63.657 63.100 -0.090 0.000 0.761 397 P CB 0.356 32.054 31.700 -0.003 0.000 0.785 398 Q N 1.781 121.353 119.800 -0.380 0.000 2.351 398 Q HA 0.614 4.956 4.340 0.004 0.000 0.273 398 Q C -1.120 174.524 176.000 -0.594 0.000 1.077 398 Q CA -0.565 55.057 55.803 -0.301 0.000 0.843 398 Q CB 1.802 30.502 28.738 -0.062 0.000 1.367 398 Q HN 0.396 nan 8.270 nan 0.000 0.449 399 Y N -0.534 119.795 120.300 0.049 0.000 2.330 399 Y HA 0.257 4.809 4.550 0.004 0.000 0.324 399 Y C -0.001 175.897 175.900 -0.003 0.000 1.093 399 Y CA -0.705 57.410 58.100 0.026 0.000 1.103 399 Y CB 1.930 40.400 38.460 0.017 0.000 1.183 399 Y HN 0.577 nan 8.280 nan 0.000 0.433 400 S N 1.271 117.039 115.700 0.114 0.000 2.617 400 S HA 0.257 4.729 4.470 0.004 0.000 0.255 400 S C 0.261 174.848 174.600 -0.022 0.000 1.318 400 S CA 0.116 58.333 58.200 0.028 0.000 0.978 400 S CB 0.618 63.833 63.200 0.024 0.000 0.961 400 S HN 0.674 nan 8.310 nan 0.000 0.582 401 L N 1.718 122.874 121.223 -0.111 0.000 3.217 401 L HA 0.471 4.813 4.340 0.004 0.000 0.288 401 L C 0.452 177.239 176.870 -0.138 0.000 1.202 401 L CA 0.356 55.083 54.840 -0.189 0.000 1.027 401 L CB -0.269 41.514 42.059 -0.459 0.000 1.427 401 L HN 0.482 nan 8.230 nan 0.000 0.600 402 N N 0.001 118.659 118.700 -0.070 0.000 2.378 402 N HA 0.405 5.147 4.740 0.004 0.000 0.225 402 N C -1.915 173.593 175.510 -0.002 0.000 1.153 402 N CA 0.177 53.215 53.050 -0.020 0.000 1.134 402 N CB -1.017 37.475 38.487 0.008 0.000 1.490 402 N HN 0.076 nan 8.380 nan 0.000 0.541 403 P HA 0.542 nan 4.420 nan 0.000 0.304 403 P C -1.507 175.799 177.300 0.010 0.000 1.365 403 P CA -0.130 62.975 63.100 0.008 0.000 0.935 403 P CB 1.919 33.625 31.700 0.010 0.000 1.091 404 K N 1.882 122.288 120.400 0.010 0.000 0.959 404 K HA -0.031 4.292 4.320 0.004 0.000 1.040 404 K C 0.630 177.236 176.600 0.010 0.000 0.647 404 K CA -0.162 56.133 56.287 0.014 0.000 0.767 404 K CB -0.490 32.023 32.500 0.022 0.000 3.464 404 K HN 0.488 nan 8.250 nan 0.000 0.131 405 E N -0.124 120.080 120.200 0.007 0.000 2.399 405 E HA -0.270 4.083 4.350 0.004 0.000 0.231 405 E C 0.825 177.425 176.600 0.000 0.000 1.124 405 E CA 2.073 58.475 56.400 0.003 0.000 0.941 405 E CB -0.069 29.633 29.700 0.004 0.000 0.790 405 E HN 0.280 nan 8.360 nan 0.000 0.461 406 V N 0.594 120.510 119.914 0.003 0.000 3.350 406 V HA 0.039 4.162 4.120 0.004 0.000 0.354 406 V C 1.410 177.504 176.094 -0.000 0.000 1.257 406 V CA 0.921 63.220 62.300 -0.001 0.000 1.323 406 V CB 0.207 32.033 31.823 0.004 0.000 1.201 406 V HN 0.272 nan 8.190 nan 0.000 0.447 407 G N -0.698 108.101 108.800 -0.002 0.000 3.141 407 G HA2 0.055 4.017 3.960 0.004 0.000 0.218 407 G HA3 0.055 4.017 3.960 0.004 0.000 0.218 407 G C 1.091 175.977 174.900 -0.022 0.000 1.170 407 G CA -0.013 45.082 45.100 -0.008 0.000 0.769 407 G HN 0.451 nan 8.290 nan 0.000 0.546 408 E N 0.261 120.448 120.200 -0.022 0.000 2.364 408 E HA 0.026 4.378 4.350 0.004 0.000 0.203 408 E C 1.849 178.427 176.600 -0.037 0.000 0.888 408 E CA 0.092 56.476 56.400 -0.026 0.000 0.989 408 E CB 0.197 29.887 29.700 -0.017 0.000 0.985 408 E HN 0.319 nan 8.360 nan 0.000 0.499 409 E N 1.227 121.404 120.200 -0.039 0.000 2.208 409 E HA -0.041 4.311 4.350 0.004 0.000 0.193 409 E C 1.825 178.374 176.600 -0.085 0.000 0.988 409 E CA 0.749 57.120 56.400 -0.049 0.000 0.828 409 E CB 0.047 29.724 29.700 -0.039 0.000 0.763 409 E HN 0.124 nan 8.360 nan 0.000 0.478 410 A N 0.913 123.670 122.820 -0.106 0.000 2.014 410 A HA -0.034 4.288 4.320 0.004 0.000 0.218 410 A C 2.459 179.947 177.584 -0.161 0.000 1.163 410 A CA 0.678 52.598 52.037 -0.196 0.000 0.652 410 A CB -0.152 18.723 19.000 -0.208 0.000 0.808 410 A HN 0.102 nan 8.150 nan 0.000 0.449 411 V N -0.514 119.345 119.914 -0.092 0.000 2.535 411 V HA -0.129 3.993 4.120 0.004 0.000 0.246 411 V C 2.301 178.363 176.094 -0.054 0.000 1.045 411 V CA 1.710 63.973 62.300 -0.063 0.000 1.058 411 V CB -0.416 31.384 31.823 -0.038 0.000 0.689 411 V HN 0.678 nan 8.190 nan 0.000 0.461 412 E N 0.089 120.258 120.200 -0.051 0.000 2.265 412 E HA -0.140 4.212 4.350 0.004 0.000 0.196 412 E C 1.116 177.688 176.600 -0.047 0.000 0.996 412 E CA 0.554 56.930 56.400 -0.041 0.000 0.832 412 E CB 0.225 29.904 29.700 -0.035 0.000 0.756 412 E HN 0.365 nan 8.360 nan 0.000 0.491 418 V N 4.984 124.897 119.914 -0.002 0.000 5.357 418 V HA -0.231 3.891 4.120 0.004 0.000 0.346 418 V C 1.043 177.141 176.094 0.007 0.000 0.613 418 V CA 0.680 62.981 62.300 0.002 0.000 1.319 418 V CB -1.253 30.570 31.823 0.001 0.000 1.571 418 V HN 1.118 nan 8.190 nan 0.000 0.485 419 L N 1.967 123.196 121.223 0.009 0.000 4.328 419 L HA -0.244 4.098 4.340 0.004 0.000 0.496 419 L C 0.813 177.695 176.870 0.019 0.000 1.047 419 L CA 2.030 56.878 54.840 0.014 0.000 0.733 419 L CB -1.027 41.040 42.059 0.013 0.000 1.714 419 L HN 1.108 nan 8.230 nan 0.000 0.812 420 Q N 0.069 119.882 119.800 0.022 0.000 2.366 420 Q HA 0.449 4.791 4.340 0.004 0.000 0.356 420 Q C -0.795 175.232 176.000 0.044 0.000 0.866 420 Q CA -0.710 55.111 55.803 0.029 0.000 1.109 420 Q CB 0.909 29.659 28.738 0.021 0.000 1.361 420 Q HN 0.577 nan 8.270 nan 0.000 0.404 421 R N 1.476 122.005 120.500 0.049 0.000 2.539 421 R HA 0.480 4.822 4.340 0.004 0.000 0.295 421 R C -2.918 173.423 176.300 0.068 0.000 1.138 421 R CA -1.399 54.741 56.100 0.066 0.000 0.936 421 R CB 1.578 31.912 30.300 0.057 0.000 1.182 421 R HN 0.309 nan 8.270 nan 0.000 0.459 432 E N -0.775 119.440 120.200 0.026 0.000 2.460 432 E HA 0.621 4.974 4.350 0.004 0.000 0.277 432 E C -0.920 175.704 176.600 0.039 0.000 1.010 432 E CA -0.838 55.584 56.400 0.036 0.000 0.838 432 E CB 2.526 32.252 29.700 0.043 0.000 1.448 432 E HN 0.762 nan 8.360 nan 0.000 0.462 433 G N -0.742 108.088 108.800 0.048 0.000 2.356 433 G HA2 0.652 4.614 3.960 0.004 0.000 0.322 433 G HA3 0.652 4.614 3.960 0.004 0.000 0.322 433 G C -0.629 174.301 174.900 0.049 0.000 1.125 433 G CA -0.261 44.867 45.100 0.047 0.000 0.885 433 G HN 0.523 nan 8.290 nan 0.000 0.467 434 G N -0.863 107.962 108.800 0.042 0.000 2.657 434 G HA2 0.662 4.624 3.960 0.004 0.000 0.303 434 G HA3 0.662 4.624 3.960 0.004 0.000 0.303 434 G C 0.251 175.171 174.900 0.034 0.000 1.457 434 G CA 0.747 45.872 45.100 0.041 0.000 0.982 434 G HN 2.068 nan 8.290 nan 0.000 0.583 435 G N 2.243 111.061 108.800 0.031 0.000 3.597 435 G HA2 -0.269 3.694 3.960 0.004 0.000 0.256 435 G HA3 -0.269 3.694 3.960 0.004 0.000 0.256 435 G C 0.952 175.865 174.900 0.022 0.000 1.792 435 G CA 0.810 45.924 45.100 0.025 0.000 1.219 435 G HN 1.117 nan 8.290 nan 0.000 0.577 436 N N 0.854 119.566 118.700 0.020 0.000 2.368 436 N HA 0.344 5.086 4.740 0.004 0.000 0.178 436 N C 2.065 177.587 175.510 0.020 0.000 1.076 436 N CA 1.070 54.131 53.050 0.018 0.000 0.889 436 N CB 0.142 38.638 38.487 0.016 0.000 1.040 436 N HN 0.458 nan 8.380 nan 0.000 0.463 437 L N -0.221 121.015 121.223 0.023 0.000 2.200 437 L HA 0.173 4.515 4.340 0.004 0.000 0.200 437 L C 1.942 178.829 176.870 0.030 0.000 1.072 437 L CA 0.479 55.334 54.840 0.024 0.000 0.787 437 L CB -0.737 41.337 42.059 0.024 0.000 0.957 437 L HN 0.107 nan 8.230 nan 0.000 0.459 438 L N -0.071 121.172 121.223 0.034 0.000 2.079 438 L HA -0.220 4.122 4.340 0.004 0.000 0.210 438 L C 2.613 179.503 176.870 0.034 0.000 1.081 438 L CA 1.968 56.832 54.840 0.039 0.000 0.752 438 L CB -0.819 41.265 42.059 0.042 0.000 0.896 438 L HN 0.445 nan 8.230 nan 0.000 0.433 439 S N -0.244 115.473 115.700 0.027 0.000 2.370 439 S HA -0.145 4.327 4.470 0.004 0.000 0.226 439 S C 2.066 176.679 174.600 0.022 0.000 1.033 439 S CA 1.267 59.480 58.200 0.022 0.000 1.011 439 S CB -0.523 62.688 63.200 0.018 0.000 0.852 439 S HN 0.635 nan 8.310 nan 0.000 0.457 440 G N 1.931 110.745 108.800 0.023 0.000 2.517 440 G HA2 -0.148 3.815 3.960 0.004 0.000 0.222 440 G HA3 -0.148 3.815 3.960 0.004 0.000 0.222 440 G C 0.730 175.646 174.900 0.025 0.000 1.109 440 G CA 0.644 45.758 45.100 0.022 0.000 0.746 440 G HN 0.488 nan 8.290 nan 0.000 0.576 466 V N 0.169 120.131 119.914 0.081 0.000 3.023 466 V HA 0.782 4.905 4.120 0.004 0.000 0.294 466 V C -0.547 175.586 176.094 0.065 0.000 1.324 466 V CA -1.214 61.097 62.300 0.019 0.000 0.979 466 V CB 0.996 32.849 31.823 0.050 0.000 1.093 466 V HN 0.794 nan 8.190 nan 0.000 0.434 467 V N 3.574 123.537 119.914 0.081 0.000 2.999 467 V HA 0.506 4.628 4.120 0.004 0.000 0.307 467 V C 0.202 176.407 176.094 0.184 0.000 1.084 467 V CA 0.413 62.798 62.300 0.141 0.000 1.155 467 V CB 1.204 33.137 31.823 0.183 0.000 0.975 467 V HN 1.110 nan 8.190 nan 0.000 0.490 468 M N 2.316 122.026 119.600 0.183 0.000 2.465 468 M HA 0.410 4.892 4.480 0.004 0.000 0.284 468 M C -0.611 175.795 176.300 0.175 0.000 1.212 468 M CA -0.093 55.307 55.300 0.166 0.000 0.910 468 M CB 2.279 34.949 32.600 0.117 0.000 1.725 468 M HN 0.556 nan 8.290 nan 0.000 0.477 469 S N 2.891 118.698 115.700 0.179 0.000 2.531 469 S HA 0.277 4.750 4.470 0.004 0.000 0.279 469 S C -0.331 174.332 174.600 0.105 0.000 1.305 469 S CA -0.391 57.898 58.200 0.148 0.000 1.058 469 S CB 0.341 63.629 63.200 0.147 0.000 0.899 469 S HN 0.606 nan 8.310 nan 0.000 0.493 470 R N 3.963 124.510 120.500 0.078 0.000 2.298 470 R HA 0.339 4.681 4.340 0.004 0.000 0.310 470 R C -0.840 175.463 176.300 0.005 0.000 1.068 470 R CA -0.001 56.135 56.100 0.060 0.000 0.957 470 R CB 0.152 30.482 30.300 0.050 0.000 1.003 470 R HN 0.574 nan 8.270 nan 0.000 0.454 471 I N 4.429 124.979 120.570 -0.033 0.000 2.447 471 I HA 0.147 4.319 4.170 0.004 0.000 0.287 471 I C -0.239 175.726 176.117 -0.254 0.000 1.023 471 I CA -0.816 60.339 61.300 -0.243 0.000 1.083 471 I CB 2.144 39.831 38.000 -0.523 0.000 1.245 471 I HN 0.552 nan 8.210 nan 0.000 0.434 472 Q N 4.834 124.523 119.800 -0.185 0.000 2.286 472 Q HA 0.307 4.650 4.340 0.004 0.000 0.265 472 Q C -1.105 174.792 176.000 -0.172 0.000 1.080 472 Q CA 0.040 55.795 55.803 -0.081 0.000 0.906 472 Q CB 0.656 29.371 28.738 -0.039 0.000 1.227 472 Q HN 0.347 nan 8.270 nan 0.000 0.409 473 F N 0.978 120.928 119.950 0.001 0.000 2.371 473 F HA 0.127 4.657 4.527 0.004 0.000 0.329 473 F C 0.626 176.427 175.800 0.002 0.000 1.107 473 F CA -0.658 57.339 58.000 -0.004 0.000 1.137 473 F CB 0.606 39.604 39.000 -0.004 0.000 1.214 473 F HN 0.528 nan 8.300 nan 0.000 0.536 474 H N 2.023 121.144 119.070 0.085 0.000 2.886 474 H HA 0.438 4.997 4.556 0.004 0.000 0.329 474 H C -0.904 174.445 175.328 0.035 0.000 1.044 474 H CA -0.529 55.523 56.048 0.007 0.000 1.456 474 H CB 0.387 30.108 29.762 -0.069 0.000 1.464 474 H HN 0.388 nan 8.280 nan 0.000 0.573 475 V N 2.678 122.232 119.914 -0.600 0.000 2.864 475 V HA 0.801 4.924 4.120 0.004 0.000 0.314 475 V C -0.190 175.537 176.094 -0.613 0.000 1.073 475 V CA -0.315 61.713 62.300 -0.453 0.000 0.956 475 V CB 1.544 33.263 31.823 -0.173 0.000 1.023 475 V HN 0.933 nan 8.190 nan 0.000 0.435 476 S N 1.659 117.160 115.700 -0.332 0.000 2.625 476 S HA 0.784 5.257 4.470 0.004 0.000 0.271 476 S C -0.417 174.116 174.600 -0.112 0.000 1.161 476 S CA 0.023 58.103 58.200 -0.200 0.000 0.820 476 S CB 1.975 65.092 63.200 -0.139 0.000 1.137 476 S HN 1.948 nan 8.310 nan 0.000 0.470 477 T N -0.273 114.211 114.554 -0.118 0.000 2.875 477 T HA 0.788 5.140 4.350 0.004 0.000 0.284 477 T C 0.248 174.880 174.700 -0.113 0.000 0.995 477 T CA -0.399 61.666 62.100 -0.060 0.000 1.060 477 T CB 0.971 69.848 68.868 0.014 0.000 0.967 477 T HN 1.302 nan 8.240 nan 0.000 0.476 478 G N 1.079 109.976 108.800 0.161 0.000 2.719 478 G HA2 0.513 4.476 3.960 0.004 0.000 0.298 478 G HA3 0.513 4.476 3.960 0.004 0.000 0.298 478 G C -0.595 174.478 174.900 0.289 0.000 1.433 478 G CA -0.907 44.301 45.100 0.180 0.000 1.034 478 G HN 0.784 nan 8.290 nan 0.000 0.517 479 S N 0.507 116.405 115.700 0.330 0.000 2.546 479 S HA 0.338 4.810 4.470 0.004 0.000 0.290 479 S C 0.021 174.726 174.600 0.174 0.000 1.290 479 S CA -0.004 58.324 58.200 0.213 0.000 1.069 479 S CB 0.679 64.005 63.200 0.211 0.000 0.846 479 S HN 0.756 nan 8.310 nan 0.000 0.495 480 L N 3.727 125.041 121.223 0.152 0.000 2.472 480 L HA 0.721 5.063 4.340 0.004 0.000 0.260 480 L C -1.919 175.039 176.870 0.146 0.000 0.963 480 L CA -1.035 53.888 54.840 0.138 0.000 0.829 480 L CB 1.628 43.744 42.059 0.095 0.000 1.348 480 L HN 0.585 nan 8.230 nan 0.000 0.408 481 L N 4.581 125.895 121.223 0.152 0.000 2.343 481 L HA 0.852 5.194 4.340 0.004 0.000 0.278 481 L C -0.691 176.228 176.870 0.081 0.000 0.996 481 L CA -0.007 54.928 54.840 0.157 0.000 0.831 481 L CB 1.492 43.708 42.059 0.262 0.000 1.232 481 L HN 0.703 nan 8.230 nan 0.000 0.413 482 A N 4.524 127.382 122.820 0.064 0.000 2.304 482 A HA 0.730 5.052 4.320 0.004 0.000 0.323 482 A C 0.535 178.135 177.584 0.026 0.000 1.195 482 A CA -0.476 51.579 52.037 0.031 0.000 0.826 482 A CB 0.619 19.636 19.000 0.029 0.000 1.184 482 A HN 0.794 nan 8.150 nan 0.000 0.496 483 R N 1.393 121.898 120.500 0.007 0.000 3.953 483 R HA -0.248 4.094 4.340 0.004 0.000 0.340 483 R C 1.172 177.484 176.300 0.020 0.000 1.195 483 R CA 1.355 57.460 56.100 0.009 0.000 0.929 483 R CB -2.083 28.227 30.300 0.016 0.000 1.402 483 R HN 2.450 nan 8.270 nan 0.000 0.540 484 G N 0.804 109.619 108.800 0.026 0.000 2.220 484 G HA2 -0.384 3.578 3.960 0.004 0.000 0.269 484 G HA3 -0.384 3.578 3.960 0.004 0.000 0.269 484 G C 0.269 175.209 174.900 0.067 0.000 0.977 484 G CA 1.256 46.391 45.100 0.057 0.000 0.634 484 G HN 0.610 nan 8.290 nan 0.000 0.539 485 D N -1.262 119.166 120.400 0.048 0.000 2.516 485 D HA 0.307 4.949 4.640 0.004 0.000 0.241 485 D C 0.268 176.585 176.300 0.028 0.000 1.246 485 D CA 0.260 54.276 54.000 0.026 0.000 0.808 485 D CB -0.005 40.801 40.800 0.010 0.000 1.147 485 D HN 0.450 nan 8.370 nan 0.000 0.527 486 V N 1.493 121.434 119.914 0.046 0.000 2.378 486 V HA 0.403 4.525 4.120 0.004 0.000 0.288 486 V C 0.007 176.149 176.094 0.080 0.000 1.016 486 V CA -0.967 61.362 62.300 0.049 0.000 0.840 486 V CB 2.017 33.862 31.823 0.037 0.000 0.994 486 V HN -0.038 nan 8.190 nan 0.000 0.431 487 V N 5.454 125.427 119.914 0.098 0.000 2.385 487 V HA 0.340 4.462 4.120 0.004 0.000 0.269 487 V C 0.150 176.292 176.094 0.081 0.000 1.043 487 V CA -0.249 62.127 62.300 0.127 0.000 0.906 487 V CB 1.207 33.140 31.823 0.184 0.000 0.995 487 V HN 0.981 nan 8.190 nan 0.000 0.467 488 Q N 4.913 124.757 119.800 0.073 0.000 2.293 488 Q HA 0.573 4.915 4.340 0.004 0.000 0.261 488 Q C -1.273 174.752 176.000 0.042 0.000 0.960 488 Q CA -0.753 55.079 55.803 0.048 0.000 0.882 488 Q CB 1.553 30.319 28.738 0.046 0.000 1.275 488 Q HN 0.740 nan 8.270 nan 0.000 0.445 489 L N 4.222 125.451 121.223 0.009 0.000 2.288 489 L HA 0.326 4.668 4.340 0.004 0.000 0.283 489 L C 0.210 177.113 176.870 0.055 0.000 1.072 489 L CA -0.161 54.673 54.840 -0.010 0.000 0.862 489 L CB 0.799 42.773 42.059 -0.142 0.000 1.245 489 L HN 0.723 nan 8.230 nan 0.000 0.432 490 E N 3.780 124.037 120.200 0.094 0.000 2.371 490 E HA 0.398 4.750 4.350 0.004 0.000 0.257 490 E C -0.582 176.076 176.600 0.097 0.000 1.134 490 E CA -0.512 55.935 56.400 0.078 0.000 0.919 490 E CB 0.808 30.545 29.700 0.062 0.000 1.025 490 E HN 0.430 nan 8.360 nan 0.000 0.438 491 R N 1.904 122.439 120.500 0.059 0.000 2.621 491 R HA 0.286 4.628 4.340 0.004 0.000 0.284 491 R C -1.040 175.270 176.300 0.017 0.000 0.998 491 R CA -0.917 55.212 56.100 0.048 0.000 0.895 491 R CB 1.296 31.624 30.300 0.047 0.000 1.195 491 R HN 0.604 nan 8.270 nan 0.000 0.450 492 N N 1.137 119.834 118.700 -0.004 0.000 2.714 492 N HA -0.209 4.533 4.740 0.004 0.000 0.253 492 N C -0.804 174.688 175.510 -0.029 0.000 1.024 492 N CA 0.826 53.861 53.050 -0.026 0.000 0.726 492 N CB -0.709 37.772 38.487 -0.011 0.000 0.908 492 N HN 0.649 nan 8.380 nan 0.000 0.542 493 M N 0.690 120.269 119.600 -0.034 0.000 2.194 493 M HA 0.164 4.646 4.480 0.004 0.000 0.347 493 M C -0.131 176.134 176.300 -0.058 0.000 1.439 493 M CA -0.135 55.148 55.300 -0.029 0.000 1.131 493 M CB 0.200 32.796 32.600 -0.007 0.000 1.733 493 M HN 0.333 nan 8.290 nan 0.000 0.467 494 C N 2.635 121.909 119.300 -0.043 0.000 2.443 494 C HA 0.564 5.026 4.460 0.004 0.000 0.369 494 C C 0.489 175.476 174.990 -0.005 0.000 1.241 494 C CA -0.547 58.448 59.018 -0.039 0.000 2.413 494 C CB 1.281 28.994 27.740 -0.045 0.000 2.451 494 C HN 0.848 nan 8.230 nan 0.000 0.595 495 S N 0.545 116.269 115.700 0.040 0.000 2.473 495 S HA 0.395 4.867 4.470 0.004 0.000 0.307 495 S C -0.739 173.937 174.600 0.127 0.000 1.094 495 S CA -0.357 57.892 58.200 0.083 0.000 1.070 495 S CB 1.122 64.400 63.200 0.130 0.000 1.019 495 S HN 0.782 nan 8.310 nan 0.000 0.480 496 E N 2.894 123.145 120.200 0.086 0.000 2.102 496 E HA 0.413 4.765 4.350 0.004 0.000 0.263 496 E C -1.232 175.427 176.600 0.099 0.000 0.894 496 E CA -0.500 55.954 56.400 0.089 0.000 0.746 496 E CB 0.807 30.507 29.700 0.000 0.000 1.129 496 E HN 0.342 nan 8.360 nan 0.000 0.416 497 V N 3.645 123.653 119.914 0.158 0.000 2.461 497 V HA 0.476 4.599 4.120 0.004 0.000 0.275 497 V C 0.646 176.769 176.094 0.047 0.000 1.047 497 V CA -0.214 62.119 62.300 0.055 0.000 0.955 497 V CB 1.403 33.140 31.823 -0.144 0.000 0.988 497 V HN 0.742 nan 8.190 nan 0.000 0.471 498 G N 5.813 114.613 108.800 -0.000 0.000 2.502 498 G HA2 0.634 4.597 3.960 0.004 0.000 0.311 498 G HA3 0.634 4.597 3.960 0.004 0.000 0.311 498 G C -0.722 174.074 174.900 -0.174 0.000 1.270 498 G CA -0.480 44.546 45.100 -0.123 0.000 0.948 498 G HN 0.498 nan 8.290 nan 0.000 0.487 499 I N 2.880 123.411 120.570 -0.064 0.000 2.312 499 I HA 0.341 4.513 4.170 0.004 0.000 0.290 499 I C -0.449 175.680 176.117 0.020 0.000 1.008 499 I CA -0.711 60.636 61.300 0.080 0.000 1.226 499 I CB 0.912 39.019 38.000 0.179 0.000 1.371 499 I HN 0.221 nan 8.210 nan 0.000 0.468 500 F N 3.701 123.740 119.950 0.147 0.000 2.382 500 F HA 0.602 5.131 4.527 0.004 0.000 0.331 500 F C 1.134 176.960 175.800 0.043 0.000 1.121 500 F CA -0.088 57.946 58.000 0.056 0.000 1.183 500 F CB 1.354 40.333 39.000 -0.036 0.000 1.207 500 F HN 0.472 nan 8.300 nan 0.000 0.555 501 G N 0.416 109.376 108.800 0.266 0.000 2.638 501 G HA2 0.605 4.567 3.960 0.004 0.000 0.302 501 G HA3 0.605 4.567 3.960 0.004 0.000 0.302 501 G C -1.869 173.015 174.900 -0.026 0.000 1.365 501 G CA -0.893 44.288 45.100 0.135 0.000 0.987 501 G HN 0.683 nan 8.290 nan 0.000 0.495 502 V N 0.011 119.914 119.914 -0.019 0.000 2.540 502 V HA 0.844 4.966 4.120 0.004 0.000 0.302 502 V C -0.339 175.746 176.094 -0.015 0.000 1.035 502 V CA -1.067 61.212 62.300 -0.035 0.000 0.873 502 V CB 1.447 33.336 31.823 0.111 0.000 0.992 502 V HN 0.808 nan 8.190 nan 0.000 0.428 503 I N 4.476 124.921 120.570 -0.208 0.000 2.686 503 I HA 0.696 4.869 4.170 0.004 0.000 0.295 503 I C -1.959 173.867 176.117 -0.485 0.000 1.114 503 I CA -1.158 59.963 61.300 -0.298 0.000 1.038 503 I CB 2.297 40.181 38.000 -0.193 0.000 1.238 503 I HN 0.748 nan 8.210 nan 0.000 0.420 504 L N 7.231 127.933 121.223 -0.869 0.000 2.404 504 L HA 0.625 4.967 4.340 0.004 0.000 0.272 504 L C -0.970 175.695 176.870 -0.342 0.000 0.980 504 L CA 0.038 54.499 54.840 -0.631 0.000 0.836 504 L CB 1.623 43.122 42.059 -0.933 0.000 1.238 504 L HN 0.627 nan 8.230 nan 0.000 0.408 505 S N 3.590 119.227 115.700 -0.105 0.000 2.599 505 S HA 1.019 5.491 4.470 0.004 0.000 0.287 505 S C -0.277 174.342 174.600 0.033 0.000 1.105 505 S CA -0.184 58.006 58.200 -0.018 0.000 0.899 505 S CB 1.728 64.959 63.200 0.051 0.000 1.100 505 S HN 1.013 nan 8.310 nan 0.000 0.482 506 A N 1.648 124.493 122.820 0.042 0.000 2.517 506 A HA 0.938 5.260 4.320 0.004 0.000 0.280 506 A C 0.717 178.353 177.584 0.087 0.000 1.353 506 A CA -0.527 51.549 52.037 0.064 0.000 0.907 506 A CB -0.428 18.599 19.000 0.046 0.000 1.495 506 A HN 1.868 nan 8.150 nan 0.000 0.506 507 A N -0.168 122.706 122.820 0.091 0.000 2.520 507 A HA 0.335 4.657 4.320 0.004 0.000 0.235 507 A C 0.269 177.889 177.584 0.060 0.000 1.065 507 A CA 0.074 52.170 52.037 0.099 0.000 0.764 507 A CB -0.351 18.699 19.000 0.084 0.000 1.002 507 A HN 0.610 nan 8.150 nan 0.000 0.502 508 K N 0.707 121.134 120.400 0.045 0.000 2.453 508 K HA 0.270 4.592 4.320 0.004 0.000 0.280 508 K C 1.160 177.773 176.600 0.021 0.000 1.045 508 K CA 1.165 57.461 56.287 0.016 0.000 1.059 508 K CB -0.003 32.488 32.500 -0.014 0.000 0.901 508 K HN 1.434 nan 8.250 nan 0.000 0.475 509 G N 1.818 110.628 108.800 0.017 0.000 2.175 509 G HA2 -0.301 3.661 3.960 0.004 0.000 0.244 509 G HA3 -0.301 3.661 3.960 0.004 0.000 0.244 509 G C 0.235 175.147 174.900 0.019 0.000 0.982 509 G CA 0.320 45.430 45.100 0.016 0.000 0.641 509 G HN 0.692 nan 8.290 nan 0.000 0.527 510 S N -0.108 115.605 115.700 0.023 0.000 2.634 510 S HA 0.686 5.158 4.470 0.004 0.000 0.261 510 S C 1.626 176.238 174.600 0.020 0.000 1.271 510 S CA 0.793 59.006 58.200 0.021 0.000 0.985 510 S CB 1.637 64.852 63.200 0.025 0.000 0.968 510 S HN 1.420 nan 8.310 nan 0.000 0.568 511 S N -0.435 115.276 115.700 0.018 0.000 2.475 511 S HA 0.007 4.479 4.470 0.004 0.000 0.224 511 S C 1.718 176.332 174.600 0.023 0.000 1.042 511 S CA 0.469 58.681 58.200 0.019 0.000 0.935 511 S CB -1.079 62.131 63.200 0.016 0.000 0.801 511 S HN 0.655 nan 8.310 nan 0.000 0.509 512 V N 1.916 121.844 119.914 0.022 0.000 2.406 512 V HA -0.301 3.821 4.120 0.004 0.000 0.243 512 V C 1.474 177.587 176.094 0.033 0.000 1.103 512 V CA 1.983 64.299 62.300 0.026 0.000 1.094 512 V CB -1.636 30.203 31.823 0.028 0.000 0.922 512 V HN 0.826 nan 8.190 nan 0.000 0.467 513 G N -0.974 107.846 108.800 0.034 0.000 2.416 513 G HA2 0.537 4.499 3.960 0.004 0.000 0.324 513 G HA3 0.537 4.499 3.960 0.004 0.000 0.324 513 G C -0.425 174.500 174.900 0.043 0.000 1.194 513 G CA 0.071 45.197 45.100 0.044 0.000 0.922 513 G HN 0.258 nan 8.290 nan 0.000 0.467 514 T N 1.037 115.620 114.554 0.049 0.000 2.903 514 T HA 0.082 4.434 4.350 0.004 0.000 0.314 514 T C 0.969 175.692 174.700 0.040 0.000 1.078 514 T CA 0.623 62.748 62.100 0.042 0.000 1.114 514 T CB 0.300 69.194 68.868 0.043 0.000 0.987 514 T HN 0.867 nan 8.240 nan 0.000 0.548 515 N N 0.350 119.070 118.700 0.033 0.000 2.753 515 N HA -0.192 4.550 4.740 0.004 0.000 0.252 515 N C 0.696 176.222 175.510 0.028 0.000 1.071 515 N CA 0.204 53.272 53.050 0.030 0.000 0.690 515 N CB -1.232 37.274 38.487 0.032 0.000 0.906 515 N HN 1.285 nan 8.380 nan 0.000 0.552 516 G N 0.383 109.198 108.800 0.025 0.000 2.467 516 G HA2 -0.363 3.599 3.960 0.004 0.000 0.302 516 G HA3 -0.363 3.599 3.960 0.004 0.000 0.302 516 G C 0.794 175.709 174.900 0.024 0.000 0.930 516 G CA 1.188 46.302 45.100 0.023 0.000 1.008 516 G HN 0.655 nan 8.290 nan 0.000 0.512 517 S N -0.323 115.394 115.700 0.028 0.000 2.341 517 S HA 0.132 4.604 4.470 0.004 0.000 0.216 517 S C 2.286 176.901 174.600 0.026 0.000 1.034 517 S CA 1.875 60.093 58.200 0.029 0.000 0.964 517 S CB -0.133 63.088 63.200 0.035 0.000 0.882 517 S HN 2.322 nan 8.310 nan 0.000 0.469 518 S N -1.588 114.128 115.700 0.027 0.000 1.762 518 S HA -0.159 4.314 4.470 0.004 0.000 0.244 518 S C -0.055 174.557 174.600 0.019 0.000 0.965 518 S CA 0.679 58.895 58.200 0.026 0.000 1.348 518 S CB -2.102 61.114 63.200 0.026 0.000 1.653 518 S HN 0.537 nan 8.310 nan 0.000 0.536 519 V N 3.767 123.691 119.914 0.016 0.000 2.427 519 V HA 0.412 4.534 4.120 0.004 0.000 0.268 519 V C 1.578 177.676 176.094 0.007 0.000 1.046 519 V CA 0.039 62.337 62.300 -0.004 0.000 0.970 519 V CB 0.991 32.818 31.823 0.007 0.000 1.001 519 V HN 0.444 nan 8.190 nan 0.000 0.476 520 L N 5.804 127.010 121.223 -0.028 0.000 2.044 520 L HA 0.148 4.490 4.340 0.004 0.000 0.205 520 L C 0.460 177.439 176.870 0.181 0.000 1.075 520 L CA 1.703 56.576 54.840 0.054 0.000 0.747 520 L CB -0.397 41.695 42.059 0.055 0.000 0.903 520 L HN 0.767 nan 8.230 nan 0.000 0.435 521 F N -3.256 116.711 119.950 0.029 0.000 2.654 521 F HA 0.634 5.163 4.527 0.003 0.000 0.308 521 F C -0.892 174.925 175.800 0.027 0.000 1.108 521 F CA -1.577 56.438 58.000 0.024 0.000 0.957 521 F CB 1.244 40.250 39.000 0.009 0.000 1.309 521 F HN -0.232 nan 8.300 nan 0.000 0.446 522 N N 1.296 120.130 118.700 0.224 0.000 2.599 522 N HA 0.543 5.286 4.740 0.004 0.000 0.283 522 N C -1.755 173.866 175.510 0.185 0.000 1.160 522 N CA 0.010 53.144 53.050 0.140 0.000 0.869 522 N CB 1.947 40.482 38.487 0.081 0.000 1.448 522 N HN 1.117 nan 8.380 nan 0.000 0.535 523 T N 0.365 115.039 114.554 0.200 0.000 2.932 523 T HA 0.425 4.777 4.350 0.004 0.000 0.318 523 T C -0.347 174.480 174.700 0.211 0.000 1.265 523 T CA -0.783 61.436 62.100 0.198 0.000 1.036 523 T CB 0.485 69.455 68.868 0.170 0.000 1.209 523 T HN 0.213 nan 8.240 nan 0.000 0.484 524 F N 2.329 122.341 119.950 0.103 0.000 2.647 524 F HA 0.367 4.896 4.527 0.004 0.000 0.363 524 F C 0.693 176.561 175.800 0.114 0.000 1.130 524 F CA 0.475 58.538 58.000 0.105 0.000 1.351 524 F CB 0.228 39.266 39.000 0.063 0.000 1.026 524 F HN 0.927 nan 8.300 nan 0.000 0.607 525 A N 4.735 127.150 122.820 -0.675 0.000 2.585 525 A HA 0.604 4.927 4.320 0.004 0.000 0.281 525 A C 0.629 177.875 177.584 -0.562 0.000 0.945 525 A CA 0.229 51.976 52.037 -0.484 0.000 1.031 525 A CB -0.755 18.165 19.000 -0.134 0.000 1.221 525 A HN 2.102 nan 8.150 nan 0.000 0.496 526 G N -0.242 107.769 108.800 -1.316 0.000 2.593 526 G HA2 0.138 4.100 3.960 0.004 0.000 0.237 526 G HA3 0.138 4.100 3.960 0.004 0.000 0.237 526 G C -0.388 174.692 174.900 0.300 0.000 1.312 526 G CA 0.394 45.283 45.100 -0.352 0.000 0.896 526 G HN 2.147 nan 8.290 nan 0.000 0.574 527 Y N -2.673 117.851 120.300 0.374 0.000 2.641 527 Y HA 0.786 5.338 4.550 0.004 0.000 0.333 527 Y C -0.398 175.634 175.900 0.219 0.000 1.174 527 Y CA -0.156 58.084 58.100 0.233 0.000 1.057 527 Y CB 1.152 39.773 38.460 0.269 0.000 1.322 527 Y HN 1.434 nan 8.280 nan 0.000 0.457 528 T N 1.189 115.778 114.554 0.059 0.000 2.901 528 T HA 0.806 5.158 4.350 0.004 0.000 0.293 528 T C -2.007 172.803 174.700 0.183 0.000 1.084 528 T CA -0.564 61.565 62.100 0.049 0.000 1.008 528 T CB 1.533 70.442 68.868 0.069 0.000 1.170 528 T HN 0.803 nan 8.240 nan 0.000 0.509 529 V N 3.173 123.147 119.914 0.099 0.000 2.638 529 V HA 0.618 4.740 4.120 0.004 0.000 0.306 529 V C -0.275 175.782 176.094 -0.062 0.000 1.052 529 V CA -0.897 61.441 62.300 0.064 0.000 0.885 529 V CB 1.811 33.707 31.823 0.121 0.000 0.999 529 V HN 0.818 nan 8.190 nan 0.000 0.424 530 R N 2.001 122.463 120.500 -0.063 0.000 2.514 530 R HA 0.688 5.031 4.340 0.004 0.000 0.301 530 R C -0.667 175.608 176.300 -0.042 0.000 0.962 530 R CA -0.384 55.653 56.100 -0.104 0.000 0.882 530 R CB 2.037 32.272 30.300 -0.109 0.000 1.143 530 R HN 0.693 nan 8.270 nan 0.000 0.452 531 S N 2.641 118.316 115.700 -0.042 0.000 2.520 531 S HA 0.294 4.767 4.470 0.004 0.000 0.324 531 S C -0.821 173.768 174.600 -0.019 0.000 1.069 531 S CA -0.596 57.595 58.200 -0.014 0.000 1.121 531 S CB 0.787 63.988 63.200 0.003 0.000 0.971 531 S HN 0.424 nan 8.310 nan 0.000 0.463 532 K N 3.397 123.785 120.400 -0.020 0.000 2.426 532 K HA 0.610 4.932 4.320 0.004 0.000 0.251 532 K C -3.104 173.485 176.600 -0.019 0.000 0.941 532 K CA -2.333 53.943 56.287 -0.019 0.000 0.808 532 K CB 1.621 34.105 32.500 -0.026 0.000 1.265 532 K HN 0.194 nan 8.250 nan 0.000 0.432 533 P HA 0.112 nan 4.420 nan 0.000 0.275 533 P C -0.235 177.055 177.300 -0.017 0.000 1.228 533 P CA -0.212 62.882 63.100 -0.010 0.000 0.786 533 P CB 1.247 32.947 31.700 -0.001 0.000 0.927 534 A N 1.823 124.634 122.820 -0.017 0.000 1.877 534 A HA -0.073 4.249 4.320 0.004 0.000 0.216 534 A C 0.582 178.162 177.584 -0.006 0.000 1.186 534 A CA 1.782 53.810 52.037 -0.014 0.000 0.620 534 A CB -0.643 18.357 19.000 -0.001 0.000 0.822 534 A HN 0.602 nan 8.150 nan 0.000 0.443 545 V N -0.364 119.554 119.914 0.007 0.000 2.709 545 V HA 0.929 5.051 4.120 0.004 0.000 0.308 545 V C 0.662 176.758 176.094 0.003 0.000 1.062 545 V CA -0.845 61.460 62.300 0.009 0.000 0.901 545 V CB 1.188 33.020 31.823 0.013 0.000 1.003 545 V HN 1.302 nan 8.190 nan 0.000 0.425 546 A N 2.768 125.587 122.820 -0.001 0.000 2.346 546 A HA 0.847 5.169 4.320 0.004 0.000 0.252 546 A C 0.548 178.109 177.584 -0.039 0.000 1.089 546 A CA 0.316 52.339 52.037 -0.023 0.000 0.797 546 A CB 0.477 19.453 19.000 -0.040 0.000 1.047 546 A HN 2.016 nan 8.150 nan 0.000 0.494 547 A N 0.477 123.266 122.820 -0.052 0.000 2.294 547 A HA 0.662 4.984 4.320 0.004 0.000 0.330 547 A C -0.237 177.263 177.584 -0.139 0.000 1.133 547 A CA -0.626 51.368 52.037 -0.072 0.000 0.836 547 A CB 0.443 19.427 19.000 -0.026 0.000 1.190 547 A HN 0.791 nan 8.150 nan 0.000 0.492 548 L N 1.429 122.533 121.223 -0.199 0.000 2.371 548 L HA 0.366 4.708 4.340 0.004 0.000 0.272 548 L C 0.095 176.873 176.870 -0.153 0.000 1.124 548 L CA -0.227 54.450 54.840 -0.270 0.000 0.816 548 L CB 0.831 42.678 42.059 -0.353 0.000 1.129 548 L HN 0.796 nan 8.230 nan 0.000 0.448 549 D N 0.333 120.673 120.400 -0.099 0.000 2.801 549 D HA 0.712 5.354 4.640 0.004 0.000 0.277 549 D C -1.092 175.240 176.300 0.053 0.000 1.125 549 D CA -0.122 53.897 54.000 0.032 0.000 1.102 549 D CB 2.199 43.030 40.800 0.052 0.000 1.400 549 D HN 0.518 nan 8.370 nan 0.000 0.601 550 S N -0.800 115.006 115.700 0.177 0.000 2.595 550 S HA 0.508 4.980 4.470 0.004 0.000 0.270 550 S C -1.515 173.172 174.600 0.146 0.000 1.145 550 S CA -0.935 57.398 58.200 0.221 0.000 0.825 550 S CB 0.299 63.609 63.200 0.183 0.000 1.107 550 S HN 0.348 nan 8.310 nan 0.000 0.461 551 L N 1.570 122.863 121.223 0.115 0.000 2.292 551 L HA 0.730 5.072 4.340 0.004 0.000 0.284 551 L C 0.309 177.088 176.870 -0.153 0.000 1.065 551 L CA -0.675 54.067 54.840 -0.164 0.000 0.806 551 L CB 1.392 43.108 42.059 -0.571 0.000 1.175 551 L HN 0.963 nan 8.230 nan 0.000 0.431 552 A N 3.839 126.551 122.820 -0.180 0.000 2.258 552 A HA 0.571 4.894 4.320 0.004 0.000 0.316 552 A C -0.461 177.040 177.584 -0.137 0.000 1.279 552 A CA -0.543 51.418 52.037 -0.127 0.000 0.876 552 A CB 1.282 20.209 19.000 -0.122 0.000 1.170 552 A HN 0.535 nan 8.150 nan 0.000 0.520 553 V N 3.504 123.324 119.914 -0.157 0.000 2.439 553 V HA 0.768 4.890 4.120 0.004 0.000 0.282 553 V C 0.006 176.081 176.094 -0.032 0.000 1.039 553 V CA -0.333 61.881 62.300 -0.143 0.000 0.913 553 V CB 0.966 32.639 31.823 -0.249 0.000 0.983 553 V HN 1.235 nan 8.190 nan 0.000 0.460 554 V N 4.230 124.143 119.914 -0.001 0.000 2.732 554 V HA 0.901 5.024 4.120 0.004 0.000 0.310 554 V C -2.505 173.607 176.094 0.029 0.000 1.053 554 V CA -1.788 60.529 62.300 0.027 0.000 0.957 554 V CB 1.414 33.260 31.823 0.038 0.000 1.018 554 V HN 0.877 nan 8.190 nan 0.000 0.452 555 P HA 0.000 nan 4.420 nan 0.000 0.216 555 P CA 0.000 63.118 63.100 0.030 0.000 0.800 555 P CB 0.000 31.718 31.700 0.029 0.000 0.726