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 1ma9_1_B DATA FIRST_RESID 5 DATA SEQUENCE TTALVCDNGS GLVKAGFAGD DAPRAVFPSI VGRPRHXXXX XXXXXXDSYV DATA SEQUENCE GDEAQSKRGI LTLKYPIEXG IITNWDDMEK IWHHTFYNEL RVAPEEHPTL DATA SEQUENCE LTEAPLNPKA NREKMTQIMF ETFNVPAMYV AIQAVLSLYA SGRTTGIVLD DATA SEQUENCE SGDGVTHNVP IYEGYALPHA IMRLDLAGRD LTDYLMKILT ERGYSFVTTA DATA SEQUENCE EREIVRDIKE KLCYVALDFE NEMATAASSS SLEKSYELPD GQVITIGNER DATA SEQUENCE FRCPETLFQP SFIGMESAGI HETTYNSIMK CDIDIRKDLY ANNVMSGGTT DATA SEQUENCE MYPGIADRMQ KEITALAPST MKIKIIAPPE RKYSVWIGGS ILASLSTFQQ DATA SEQUENCE MWITKQEYDE AGPSIVH 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.793 174.700 0.155 0.000 1.109 5 T CA 0.000 62.194 62.100 0.158 0.000 1.349 5 T CB 0.000 68.932 68.868 0.107 0.000 0.612 6 T N 2.486 117.118 114.554 0.131 0.000 3.722 6 T HA 0.641 4.991 4.350 -0.001 0.000 0.247 6 T C 0.462 175.299 174.700 0.229 0.000 1.004 6 T CA 0.645 62.852 62.100 0.179 0.000 0.947 6 T CB -1.223 67.740 68.868 0.158 0.000 1.114 6 T HN 0.603 nan 8.240 nan 0.000 0.633 7 A N 1.207 124.133 122.820 0.177 0.000 2.264 7 A HA 0.746 5.065 4.320 -0.001 0.000 0.304 7 A C -0.065 177.597 177.584 0.130 0.000 1.100 7 A CA -0.714 51.396 52.037 0.122 0.000 0.839 7 A CB 0.675 19.782 19.000 0.179 0.000 1.121 7 A HN 0.590 nan 8.150 nan 0.000 0.496 8 L N 0.400 121.660 121.223 0.062 0.000 2.360 8 L HA 0.592 4.931 4.340 -0.001 0.000 0.271 8 L C -0.894 175.984 176.870 0.013 0.000 1.057 8 L CA -0.815 54.001 54.840 -0.039 0.000 0.803 8 L CB 1.633 43.642 42.059 -0.083 0.000 1.207 8 L HN 0.374 nan 8.230 nan 0.000 0.445 9 V N 1.385 121.284 119.914 -0.025 0.000 2.482 9 V HA 0.259 4.378 4.120 -0.001 0.000 0.295 9 V C -0.793 175.354 176.094 0.087 0.000 1.026 9 V CA -0.534 61.730 62.300 -0.060 0.000 0.856 9 V CB 1.874 33.454 31.823 -0.404 0.000 1.001 9 V HN 0.877 nan 8.190 nan 0.000 0.424 10 C N 4.386 123.709 119.300 0.038 0.000 2.346 10 C HA 0.621 5.081 4.460 -0.001 0.000 0.326 10 C C -0.542 174.510 174.990 0.104 0.000 1.224 10 C CA -0.507 58.555 59.018 0.073 0.000 1.408 10 C CB 0.538 28.264 27.740 -0.024 0.000 2.089 10 C HN 0.947 nan 8.230 nan 0.000 0.456 11 D N 4.024 124.515 120.400 0.151 0.000 2.428 11 D HA 0.252 4.891 4.640 -0.001 0.000 0.221 11 D C -0.095 176.236 176.300 0.051 0.000 1.123 11 D CA -0.011 54.058 54.000 0.114 0.000 0.869 11 D CB 0.309 41.216 40.800 0.178 0.000 1.032 11 D HN 0.681 nan 8.370 nan 0.000 0.506 12 N N 2.462 121.205 118.700 0.072 0.000 2.549 12 N HA 0.375 5.114 4.740 -0.001 0.000 0.267 12 N C 0.342 175.850 175.510 -0.004 0.000 1.182 12 N CA -0.395 52.675 53.050 0.034 0.000 1.019 12 N CB 1.239 39.789 38.487 0.106 0.000 1.380 12 N HN 0.348 nan 8.380 nan 0.000 0.505 13 G N -0.129 108.649 108.800 -0.036 0.000 2.451 13 G HA2 0.147 4.107 3.960 -0.001 0.000 0.303 13 G HA3 0.147 4.107 3.960 -0.001 0.000 0.303 13 G C 0.701 175.591 174.900 -0.017 0.000 1.166 13 G CA -0.708 44.381 45.100 -0.018 0.000 0.884 13 G HN 0.384 nan 8.290 nan 0.000 0.514 14 S N 0.811 116.517 115.700 0.010 0.000 2.374 14 S HA -0.136 4.333 4.470 -0.001 0.000 0.227 14 S C 2.272 176.921 174.600 0.082 0.000 1.037 14 S CA 1.812 60.032 58.200 0.034 0.000 1.024 14 S CB -0.149 63.068 63.200 0.028 0.000 0.861 14 S HN 0.827 nan 8.310 nan 0.000 0.456 15 G N -0.539 108.298 108.800 0.060 0.000 2.724 15 G HA2 0.457 4.416 3.960 -0.001 0.000 0.205 15 G HA3 0.457 4.416 3.960 -0.001 0.000 0.205 15 G C 0.185 175.100 174.900 0.025 0.000 1.112 15 G CA -0.162 44.994 45.100 0.093 0.000 0.793 15 G HN 0.329 nan 8.290 nan 0.000 0.526 16 L N 0.851 122.058 121.223 -0.025 0.000 2.401 16 L HA 0.560 4.899 4.340 -0.001 0.000 0.266 16 L C -0.983 175.770 176.870 -0.196 0.000 0.991 16 L CA -1.003 53.774 54.840 -0.104 0.000 0.818 16 L CB 3.069 45.096 42.059 -0.053 0.000 1.321 16 L HN -0.229 nan 8.230 nan 0.000 0.413 17 V N 2.210 121.862 119.914 -0.435 0.000 2.427 17 V HA 0.394 4.513 4.120 -0.001 0.000 0.286 17 V C -0.358 175.404 176.094 -0.554 0.000 1.034 17 V CA -0.630 61.346 62.300 -0.540 0.000 0.893 17 V CB 1.669 32.925 31.823 -0.945 0.000 0.982 17 V HN 0.555 nan 8.190 nan 0.000 0.452 18 K N 3.854 124.067 120.400 -0.312 0.000 2.425 18 K HA 0.785 5.104 4.320 -0.001 0.000 0.259 18 K C -0.490 175.968 176.600 -0.237 0.000 0.978 18 K CA 0.056 56.133 56.287 -0.351 0.000 0.883 18 K CB 1.824 34.169 32.500 -0.259 0.000 1.110 18 K HN 0.842 nan 8.250 nan 0.000 0.436 19 A N 1.712 124.335 122.820 -0.329 0.000 2.401 19 A HA 0.952 5.271 4.320 -0.001 0.000 0.310 19 A C -0.225 177.210 177.584 -0.248 0.000 1.075 19 A CA -0.206 51.749 52.037 -0.136 0.000 0.746 19 A CB 1.614 20.541 19.000 -0.123 0.000 1.277 19 A HN 0.699 nan 8.150 nan 0.000 0.425 20 G N -0.475 108.310 108.800 -0.025 0.000 2.500 20 G HA2 0.561 4.520 3.960 -0.001 0.000 0.299 20 G HA3 0.561 4.520 3.960 -0.001 0.000 0.299 20 G C -1.743 173.029 174.900 -0.213 0.000 1.242 20 G CA -0.575 44.462 45.100 -0.106 0.000 0.859 20 G HN 0.586 nan 8.290 nan 0.000 0.481 21 F N 1.183 121.331 119.950 0.330 0.000 2.495 21 F HA 0.705 5.231 4.527 -0.001 0.000 0.327 21 F C 0.868 176.765 175.800 0.162 0.000 1.103 21 F CA -0.509 57.593 58.000 0.169 0.000 0.949 21 F CB 2.098 41.140 39.000 0.071 0.000 1.142 21 F HN 0.650 nan 8.300 nan 0.000 0.457 22 A N 1.843 124.783 122.820 0.201 0.000 2.566 22 A HA 0.423 4.742 4.320 -0.001 0.000 0.245 22 A C 1.204 178.859 177.584 0.118 0.000 1.056 22 A CA 1.068 53.144 52.037 0.066 0.000 0.757 22 A CB -0.866 18.195 19.000 0.100 0.000 0.979 22 A HN 1.577 nan 8.150 nan 0.000 0.508 23 G N 2.391 111.229 108.800 0.063 0.000 2.436 23 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.204 23 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.204 23 G C 0.032 175.014 174.900 0.136 0.000 1.026 23 G CA 0.177 45.329 45.100 0.086 0.000 0.658 23 G HN 0.761 nan 8.290 nan 0.000 0.499 24 D N 1.214 121.761 120.400 0.246 0.000 2.361 24 D HA 0.429 5.068 4.640 -0.001 0.000 0.239 24 D C 1.190 177.689 176.300 0.333 0.000 1.200 24 D CA 0.639 54.810 54.000 0.286 0.000 0.915 24 D CB 0.750 41.772 40.800 0.370 0.000 1.170 24 D HN 0.505 nan 8.370 nan 0.000 0.444 25 D N -1.451 119.098 120.400 0.249 0.000 2.349 25 D HA 0.349 4.988 4.640 -0.001 0.000 0.214 25 D C -0.265 176.198 176.300 0.272 0.000 1.063 25 D CA -0.397 53.749 54.000 0.244 0.000 0.847 25 D CB 0.336 41.219 40.800 0.139 0.000 0.933 25 D HN 0.320 nan 8.370 nan 0.000 0.513 26 A N 0.063 122.980 122.820 0.162 0.000 2.594 26 A HA 0.615 4.934 4.320 -0.001 0.000 0.295 26 A C -2.993 174.076 177.584 -0.858 0.000 1.071 26 A CA -1.614 50.304 52.037 -0.197 0.000 0.685 26 A CB 0.996 19.925 19.000 -0.118 0.000 1.285 26 A HN -0.100 nan 8.150 nan 0.000 0.405 27 P HA 0.219 nan 4.420 nan 0.000 0.267 27 P C 0.444 177.279 177.300 -0.775 0.000 1.205 27 P CA -0.168 61.907 63.100 -1.709 0.000 0.765 27 P CB 0.635 31.329 31.700 -1.677 0.000 0.828 28 R N 2.569 122.776 120.500 -0.488 0.000 2.236 28 R HA 0.170 4.509 4.340 -0.001 0.000 0.208 28 R C -0.125 176.074 176.300 -0.168 0.000 1.036 28 R CA 0.551 56.533 56.100 -0.198 0.000 1.001 28 R CB 0.171 30.484 30.300 0.022 0.000 0.896 28 R HN 0.556 nan 8.270 nan 0.000 0.464 29 A N 0.583 123.265 122.820 -0.230 0.000 2.402 29 A HA 0.512 4.832 4.320 -0.001 0.000 0.291 29 A C -1.366 176.129 177.584 -0.148 0.000 1.051 29 A CA -0.557 51.434 52.037 -0.077 0.000 0.716 29 A CB 2.080 21.121 19.000 0.069 0.000 1.223 29 A HN 0.013 nan 8.150 nan 0.000 0.425 30 V N 3.873 123.739 119.914 -0.081 0.000 2.380 30 V HA 0.609 4.728 4.120 -0.001 0.000 0.286 30 V C -1.010 175.093 176.094 0.016 0.000 1.015 30 V CA -0.300 61.899 62.300 -0.168 0.000 0.834 30 V CB 0.174 31.897 31.823 -0.166 0.000 1.009 30 V HN 0.821 nan 8.190 nan 0.000 0.428 31 F N 4.337 124.265 119.950 -0.036 0.000 2.576 31 F HA 0.887 5.413 4.527 -0.001 0.000 0.313 31 F C -2.787 173.003 175.800 -0.016 0.000 1.078 31 F CA -3.320 54.675 58.000 -0.008 0.000 0.921 31 F CB 1.659 40.676 39.000 0.028 0.000 1.232 31 F HN 0.225 nan 8.300 nan 0.000 0.459 32 P HA 0.003 nan 4.420 nan 0.000 0.267 32 P C -0.454 176.868 177.300 0.037 0.000 1.209 32 P CA 0.034 63.165 63.100 0.051 0.000 0.763 32 P CB 1.100 32.828 31.700 0.048 0.000 0.816 33 S N 4.338 120.000 115.700 -0.063 0.000 3.355 33 S HA 0.187 4.656 4.470 -0.001 0.000 0.293 33 S C 0.559 175.002 174.600 -0.261 0.000 1.197 33 S CA 0.112 58.251 58.200 -0.101 0.000 1.117 33 S CB -1.234 61.908 63.200 -0.096 0.000 1.587 33 S HN 0.351 nan 8.310 nan 0.000 0.536 34 I N 1.736 122.171 120.570 -0.226 0.000 2.722 34 I HA 0.407 4.577 4.170 -0.001 0.000 0.295 34 I C -0.900 175.091 176.117 -0.209 0.000 1.161 34 I CA -0.880 60.191 61.300 -0.383 0.000 1.032 34 I CB 2.386 40.118 38.000 -0.448 0.000 1.244 34 I HN 0.016 nan 8.210 nan 0.000 0.421 35 V N 3.907 123.706 119.914 -0.191 0.000 2.443 35 V HA 0.701 4.820 4.120 -0.001 0.000 0.293 35 V C 0.235 176.294 176.094 -0.059 0.000 1.021 35 V CA -0.407 61.834 62.300 -0.098 0.000 0.848 35 V CB 1.560 33.339 31.823 -0.074 0.000 0.998 35 V HN 0.907 nan 8.190 nan 0.000 0.424 36 G N 4.178 112.972 108.800 -0.010 0.000 2.473 36 G HA2 0.824 4.784 3.960 -0.001 0.000 0.321 36 G HA3 0.824 4.784 3.960 -0.001 0.000 0.321 36 G C -0.937 174.012 174.900 0.081 0.000 1.200 36 G CA -0.838 44.276 45.100 0.023 0.000 0.963 36 G HN 0.586 nan 8.290 nan 0.000 0.483 37 R N 0.878 121.418 120.500 0.067 0.000 2.673 37 R HA 0.339 4.678 4.340 -0.001 0.000 0.281 37 R C -2.848 173.493 176.300 0.069 0.000 0.991 37 R CA -1.746 54.405 56.100 0.085 0.000 0.896 37 R CB 2.667 32.996 30.300 0.050 0.000 1.201 37 R HN 0.284 nan 8.270 nan 0.000 0.457 38 P HA -0.173 nan 4.420 nan 0.000 0.257 38 P C 0.707 178.026 177.300 0.032 0.000 1.162 38 P CA 0.664 63.798 63.100 0.056 0.000 0.762 38 P CB 0.593 32.336 31.700 0.073 0.000 0.753 39 R N 1.741 122.251 120.500 0.017 0.000 2.096 39 R HA -0.036 4.303 4.340 -0.001 0.000 0.240 39 R C 1.398 177.707 176.300 0.015 0.000 1.139 39 R CA 2.718 58.826 56.100 0.013 0.000 0.952 39 R CB -1.890 28.414 30.300 0.006 0.000 0.854 39 R HN 0.815 nan 8.270 nan 0.000 0.436 52 S N -0.401 115.169 115.700 -0.217 0.000 2.572 52 S HA 0.668 5.137 4.470 -0.001 0.000 0.274 52 S C -2.026 172.358 174.600 -0.360 0.000 1.150 52 S CA -0.467 57.645 58.200 -0.147 0.000 0.944 52 S CB 0.451 63.586 63.200 -0.108 0.000 1.071 52 S HN 0.161 nan 8.310 nan 0.000 0.479 53 Y N 1.883 122.145 120.300 -0.063 0.000 2.499 53 Y HA 0.743 5.293 4.550 -0.001 0.000 0.347 53 Y C -0.029 175.769 175.900 -0.169 0.000 0.987 53 Y CA -0.802 57.236 58.100 -0.102 0.000 1.044 53 Y CB 1.894 40.303 38.460 -0.084 0.000 1.245 53 Y HN 0.424 nan 8.280 nan 0.000 0.461 54 V N 0.911 120.724 119.914 -0.168 0.000 3.040 54 V HA 0.870 4.989 4.120 -0.001 0.000 0.312 54 V C 0.415 176.262 176.094 -0.412 0.000 1.115 54 V CA -0.457 61.638 62.300 -0.343 0.000 0.998 54 V CB 1.326 32.812 31.823 -0.561 0.000 1.042 54 V HN 1.104 nan 8.190 nan 0.000 0.433 55 G N 1.738 110.405 108.800 -0.223 0.000 2.575 55 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.267 55 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.267 55 G C 0.627 175.513 174.900 -0.024 0.000 1.264 55 G CA 1.090 46.158 45.100 -0.053 0.000 0.935 55 G HN 1.282 nan 8.290 nan 0.000 0.568 56 D N -0.556 119.864 120.400 0.033 0.000 2.177 56 D HA -0.194 4.445 4.640 -0.001 0.000 0.189 56 D C 2.175 178.472 176.300 -0.005 0.000 1.002 56 D CA 3.016 57.035 54.000 0.030 0.000 0.845 56 D CB -0.677 40.154 40.800 0.052 0.000 0.960 56 D HN 1.108 nan 8.370 nan 0.000 0.447 57 E N -0.035 120.161 120.200 -0.008 0.000 2.108 57 E HA -0.176 4.173 4.350 -0.001 0.000 0.203 57 E C 2.378 178.939 176.600 -0.066 0.000 1.022 57 E CA 1.563 57.954 56.400 -0.016 0.000 0.823 57 E CB -0.292 29.435 29.700 0.046 0.000 0.744 57 E HN 0.498 nan 8.360 nan 0.000 0.456 58 A N 0.514 123.307 122.820 -0.045 0.000 2.019 58 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 58 A C 2.097 179.637 177.584 -0.074 0.000 1.164 58 A CA 1.662 53.662 52.037 -0.062 0.000 0.644 58 A CB -0.502 18.487 19.000 -0.019 0.000 0.805 58 A HN 0.477 nan 8.150 nan 0.000 0.449 59 Q N 0.226 119.995 119.800 -0.052 0.000 2.062 59 Q HA -0.136 4.203 4.340 -0.001 0.000 0.196 59 Q C 2.331 178.312 176.000 -0.030 0.000 0.967 59 Q CA 1.834 57.619 55.803 -0.029 0.000 0.832 59 Q CB -0.163 28.573 28.738 -0.005 0.000 0.899 59 Q HN 0.780 nan 8.270 nan 0.000 0.442 60 S N 0.774 116.451 115.700 -0.038 0.000 2.359 60 S HA -0.139 4.330 4.470 -0.001 0.000 0.224 60 S C 1.196 175.757 174.600 -0.065 0.000 1.035 60 S CA 1.140 59.316 58.200 -0.039 0.000 1.018 60 S CB -0.325 62.853 63.200 -0.037 0.000 0.876 60 S HN 0.267 nan 8.310 nan 0.000 0.448 61 K N 1.615 121.946 120.400 -0.116 0.000 3.100 61 K HA 0.332 4.652 4.320 -0.001 0.000 0.256 61 K C 1.937 178.465 176.600 -0.119 0.000 1.146 61 K CA 0.266 56.463 56.287 -0.151 0.000 1.233 61 K CB -0.184 32.142 32.500 -0.289 0.000 1.226 61 K HN 0.489 nan 8.250 nan 0.000 0.442 62 R N 0.850 121.310 120.500 -0.067 0.000 2.066 62 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 62 R C 2.238 178.520 176.300 -0.029 0.000 1.131 62 R CA 1.660 57.737 56.100 -0.037 0.000 0.955 62 R CB -1.687 28.608 30.300 -0.009 0.000 0.851 62 R HN 0.487 nan 8.270 nan 0.000 0.432 63 G N 0.964 109.747 108.800 -0.028 0.000 2.615 63 G HA2 0.050 4.009 3.960 -0.001 0.000 0.213 63 G HA3 0.050 4.009 3.960 -0.001 0.000 0.213 63 G C 1.156 176.041 174.900 -0.025 0.000 1.135 63 G CA 1.045 46.133 45.100 -0.020 0.000 0.772 63 G HN 0.955 nan 8.290 nan 0.000 0.542 64 I N -3.911 116.635 120.570 -0.040 0.000 3.820 64 I HA 0.559 4.728 4.170 -0.001 0.000 0.323 64 I C -0.524 175.569 176.117 -0.039 0.000 1.482 64 I CA -0.486 60.791 61.300 -0.038 0.000 1.048 64 I CB 0.224 38.194 38.000 -0.051 0.000 1.436 64 I HN -0.170 nan 8.210 nan 0.000 0.575 65 L N -0.078 121.126 121.223 -0.033 0.000 2.389 65 L HA 0.630 4.969 4.340 -0.001 0.000 0.249 65 L C -0.596 176.275 176.870 0.003 0.000 1.083 65 L CA -0.703 54.127 54.840 -0.017 0.000 0.876 65 L CB 2.505 44.539 42.059 -0.042 0.000 1.489 65 L HN -0.090 nan 8.230 nan 0.000 0.412 66 T N 1.956 116.520 114.554 0.016 0.000 2.977 66 T HA 0.458 4.807 4.350 -0.001 0.000 0.346 66 T C -0.478 174.238 174.700 0.026 0.000 1.140 66 T CA -0.448 61.666 62.100 0.024 0.000 1.040 66 T CB 0.408 69.291 68.868 0.025 0.000 1.046 66 T HN 0.047 nan 8.240 nan 0.000 0.494 67 L N 3.469 124.713 121.223 0.035 0.000 2.416 67 L HA 0.440 4.779 4.340 -0.001 0.000 0.272 67 L C 0.504 177.419 176.870 0.076 0.000 1.161 67 L CA 0.502 55.361 54.840 0.031 0.000 0.845 67 L CB 0.204 42.299 42.059 0.061 0.000 1.119 67 L HN 0.342 nan 8.230 nan 0.000 0.464 68 K N 3.157 123.563 120.400 0.009 0.000 2.468 68 K HA 0.299 4.619 4.320 -0.001 0.000 0.252 68 K C -1.788 174.800 176.600 -0.021 0.000 0.932 68 K CA -0.641 55.688 56.287 0.070 0.000 0.794 68 K CB 1.331 33.844 32.500 0.021 0.000 1.241 68 K HN 0.297 nan 8.250 nan 0.000 0.428 69 Y N 4.347 124.621 120.300 -0.044 0.000 2.593 69 Y HA 0.269 4.819 4.550 -0.001 0.000 0.331 69 Y C -1.582 174.263 175.900 -0.091 0.000 0.986 69 Y CA -2.209 55.856 58.100 -0.058 0.000 1.262 69 Y CB 1.360 39.791 38.460 -0.049 0.000 1.098 69 Y HN 0.490 nan 8.280 nan 0.000 0.506 70 P HA -0.122 nan 4.420 nan 0.000 0.221 70 P C -0.332 176.875 177.300 -0.155 0.000 1.145 70 P CA 1.600 64.617 63.100 -0.139 0.000 0.795 70 P CB 0.348 31.924 31.700 -0.207 0.000 0.775 71 I N -1.020 119.506 120.570 -0.074 0.000 2.448 71 I HA 0.277 4.447 4.170 -0.001 0.000 0.281 71 I C 0.416 176.535 176.117 0.004 0.000 1.027 71 I CA -1.056 60.203 61.300 -0.068 0.000 1.111 71 I CB 1.735 39.691 38.000 -0.074 0.000 1.236 71 I HN -0.208 nan 8.210 nan 0.000 0.452 75 I N 2.710 123.272 120.570 -0.013 0.000 2.354 75 I HA 0.406 4.575 4.170 -0.001 0.000 0.292 75 I C 0.097 176.141 176.117 -0.123 0.000 0.989 75 I CA -0.947 60.330 61.300 -0.039 0.000 1.188 75 I CB 1.996 39.986 38.000 -0.017 0.000 1.342 75 I HN -0.074 nan 8.210 nan 0.000 0.457 76 I N 5.792 126.242 120.570 -0.200 0.000 2.581 76 I HA -0.054 4.115 4.170 -0.001 0.000 0.285 76 I C 1.496 177.282 176.117 -0.552 0.000 1.129 76 I CA 0.333 61.367 61.300 -0.442 0.000 1.397 76 I CB 0.585 38.167 38.000 -0.696 0.000 1.399 76 I HN 0.764 nan 8.210 nan 0.000 0.537 77 T N 1.262 115.553 114.554 -0.438 0.000 3.034 77 T HA 0.025 4.374 4.350 -0.001 0.000 0.248 77 T C 0.812 175.266 174.700 -0.410 0.000 1.040 77 T CA -0.026 61.867 62.100 -0.345 0.000 1.107 77 T CB 0.168 68.934 68.868 -0.171 0.000 0.932 77 T HN 0.511 nan 8.240 nan 0.000 0.474 78 N N -0.278 118.167 118.700 -0.424 0.000 2.479 78 N HA 0.196 4.935 4.740 -0.001 0.000 0.261 78 N C -0.490 174.828 175.510 -0.319 0.000 0.979 78 N CA -0.612 52.268 53.050 -0.284 0.000 0.930 78 N CB 1.122 39.529 38.487 -0.134 0.000 1.172 78 N HN 0.369 nan 8.380 nan 0.000 0.499 79 W N 2.171 123.474 121.300 0.004 0.000 2.409 79 W HA -0.005 4.654 4.660 -0.001 0.000 0.299 79 W C 1.735 178.266 176.519 0.021 0.000 1.203 79 W CA 0.103 57.457 57.345 0.016 0.000 1.298 79 W CB 0.231 29.731 29.460 0.067 0.000 1.127 79 W HN 0.486 nan 8.180 nan 0.000 0.528 80 D N 0.459 120.997 120.400 0.230 0.000 2.123 80 D HA -0.189 4.450 4.640 -0.001 0.000 0.196 80 D C 1.460 177.817 176.300 0.095 0.000 0.992 80 D CA 1.658 55.749 54.000 0.151 0.000 0.833 80 D CB -0.476 40.385 40.800 0.101 0.000 0.954 80 D HN 0.231 nan 8.370 nan 0.000 0.455 81 D N 0.213 120.631 120.400 0.031 0.000 2.144 81 D HA -0.116 4.523 4.640 -0.001 0.000 0.200 81 D C 2.064 178.329 176.300 -0.058 0.000 0.978 81 D CA 0.486 54.475 54.000 -0.019 0.000 0.833 81 D CB -0.138 40.627 40.800 -0.059 0.000 0.961 81 D HN 0.111 nan 8.370 nan 0.000 0.470 82 M N 1.394 120.920 119.600 -0.124 0.000 2.117 82 M HA -0.152 4.327 4.480 -0.001 0.000 0.262 82 M C 1.836 178.010 176.300 -0.210 0.000 1.065 82 M CA 1.334 56.430 55.300 -0.340 0.000 1.114 82 M CB -0.328 31.976 32.600 -0.492 0.000 1.361 82 M HN -0.161 nan 8.290 nan 0.000 0.408 83 E N -0.028 120.271 120.200 0.165 0.000 2.085 83 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 83 E C 1.861 178.752 176.600 0.485 0.000 0.994 83 E CA 1.477 58.181 56.400 0.507 0.000 0.801 83 E CB -0.088 29.856 29.700 0.408 0.000 0.743 83 E HN 0.345 nan 8.360 nan 0.000 0.453 84 K N 0.511 121.062 120.400 0.251 0.000 2.097 84 K HA -0.001 4.319 4.320 -0.001 0.000 0.206 84 K C 2.175 178.931 176.600 0.259 0.000 1.049 84 K CA 0.922 57.345 56.287 0.226 0.000 0.933 84 K CB -0.307 32.243 32.500 0.084 0.000 0.717 84 K HN 0.216 nan 8.250 nan 0.000 0.442 85 I N -1.052 119.597 120.570 0.131 0.000 2.252 85 I HA -0.271 3.899 4.170 -0.001 0.000 0.245 85 I C 1.768 178.028 176.117 0.239 0.000 1.102 85 I CA 0.894 62.270 61.300 0.128 0.000 1.385 85 I CB -0.245 37.715 38.000 -0.068 0.000 1.064 85 I HN 0.266 nan 8.210 nan 0.000 0.414 86 W N 0.727 122.122 121.300 0.158 0.000 2.381 86 W HA -0.196 4.463 4.660 -0.001 0.000 0.301 86 W C 2.728 179.221 176.519 -0.043 0.000 1.205 86 W CA 1.585 58.858 57.345 -0.120 0.000 1.285 86 W CB -1.345 28.039 29.460 -0.127 0.000 1.133 86 W HN 0.327 nan 8.180 nan 0.000 0.521 87 H N -1.354 118.089 119.070 0.621 0.000 2.352 87 H HA -0.235 4.320 4.556 -0.001 0.000 0.299 87 H C 2.259 177.906 175.328 0.532 0.000 1.097 87 H CA 2.651 59.170 56.048 0.786 0.000 1.311 87 H CB -0.488 29.688 29.762 0.690 0.000 1.377 87 H HN 0.098 nan 8.280 nan 0.000 0.504 88 H N -0.762 118.512 119.070 0.340 0.000 2.389 88 H HA -0.068 4.487 4.556 -0.001 0.000 0.299 88 H C 2.003 177.298 175.328 -0.056 0.000 1.081 88 H CA 2.056 58.170 56.048 0.111 0.000 1.345 88 H CB -0.211 29.540 29.762 -0.018 0.000 1.393 88 H HN 0.363 nan 8.280 nan 0.000 0.520 89 T N 0.157 114.685 114.554 -0.042 0.000 2.674 89 T HA -0.124 4.225 4.350 -0.001 0.000 0.265 89 T C 1.546 176.069 174.700 -0.295 0.000 1.039 89 T CA 1.562 63.578 62.100 -0.140 0.000 1.150 89 T CB -0.425 68.362 68.868 -0.135 0.000 0.864 89 T HN 0.178 nan 8.240 nan 0.000 0.427 90 F N 0.389 120.201 119.950 -0.231 0.000 2.031 90 F HA 0.023 4.549 4.527 -0.001 0.000 0.295 90 F C 2.228 177.730 175.800 -0.497 0.000 1.133 90 F CA 0.894 58.622 58.000 -0.453 0.000 1.188 90 F CB -1.122 37.446 39.000 -0.719 0.000 0.974 90 F HN 0.184 nan 8.300 nan 0.000 0.473 91 Y N -0.238 120.037 120.300 -0.042 0.000 2.286 91 Y HA -0.067 4.482 4.550 -0.001 0.000 0.293 91 Y C 2.189 178.016 175.900 -0.122 0.000 1.124 91 Y CA 1.008 59.044 58.100 -0.106 0.000 1.178 91 Y CB -0.685 37.640 38.460 -0.226 0.000 1.010 91 Y HN 0.033 nan 8.280 nan 0.000 0.536 92 N N -0.540 118.094 118.700 -0.110 0.000 2.368 92 N HA -0.067 4.672 4.740 -0.001 0.000 0.178 92 N C 1.533 176.880 175.510 -0.270 0.000 1.021 92 N CA 0.906 53.825 53.050 -0.218 0.000 0.875 92 N CB -0.070 38.177 38.487 -0.399 0.000 1.020 92 N HN 0.338 nan 8.380 nan 0.000 0.433 93 E N 0.984 120.951 120.200 -0.387 0.000 2.042 93 E HA 0.104 4.453 4.350 -0.001 0.000 0.189 93 E C 2.102 178.644 176.600 -0.096 0.000 0.974 93 E CA 0.483 56.740 56.400 -0.239 0.000 0.806 93 E CB -0.040 29.516 29.700 -0.240 0.000 0.769 93 E HN 0.278 nan 8.360 nan 0.000 0.451 94 L N -0.013 121.151 121.223 -0.098 0.000 2.307 94 L HA 0.138 4.478 4.340 -0.001 0.000 0.211 94 L C 0.223 177.140 176.870 0.078 0.000 1.099 94 L CA -0.044 54.790 54.840 -0.009 0.000 0.816 94 L CB 0.105 42.068 42.059 -0.160 0.000 0.952 94 L HN -0.031 nan 8.230 nan 0.000 0.455 95 R N 0.826 121.330 120.500 0.007 0.000 3.144 95 R HA -0.109 4.231 4.340 -0.001 0.000 0.255 95 R C -0.918 175.418 176.300 0.059 0.000 0.949 95 R CA 0.701 56.825 56.100 0.039 0.000 0.649 95 R CB -2.246 28.087 30.300 0.056 0.000 1.229 95 R HN 0.324 nan 8.270 nan 0.000 0.440 96 V N -3.957 115.952 119.914 -0.009 0.000 3.206 96 V HA 0.936 5.055 4.120 -0.001 0.000 0.305 96 V C -0.262 175.767 176.094 -0.109 0.000 1.257 96 V CA -0.764 61.562 62.300 0.042 0.000 1.057 96 V CB 2.595 34.483 31.823 0.109 0.000 1.075 96 V HN 0.342 nan 8.190 nan 0.000 0.443 97 A N 2.407 125.235 122.820 0.014 0.000 2.260 97 A HA 0.734 5.053 4.320 -0.001 0.000 0.312 97 A C -1.078 176.424 177.584 -0.137 0.000 1.321 97 A CA -1.449 50.539 52.037 -0.081 0.000 0.928 97 A CB 0.365 19.366 19.000 0.001 0.000 1.158 97 A HN 0.818 nan 8.150 nan 0.000 0.542 98 P HA -0.220 nan 4.420 nan 0.000 0.221 98 P C 0.784 177.899 177.300 -0.308 0.000 1.145 98 P CA 1.296 63.997 63.100 -0.665 0.000 0.795 98 P CB 0.260 31.102 31.700 -1.430 0.000 0.775 99 E N 0.591 120.685 120.200 -0.176 0.000 2.511 99 E HA -0.104 4.245 4.350 -0.001 0.000 0.196 99 E C 0.865 177.387 176.600 -0.130 0.000 1.066 99 E CA 0.649 56.988 56.400 -0.102 0.000 0.871 99 E CB -0.464 29.213 29.700 -0.037 0.000 0.863 99 E HN 0.418 nan 8.360 nan 0.000 0.520 100 E N 0.150 120.231 120.200 -0.198 0.000 2.583 100 E HA 0.132 4.481 4.350 -0.001 0.000 0.213 100 E C -0.367 175.896 176.600 -0.562 0.000 0.989 100 E CA -0.104 56.090 56.400 -0.343 0.000 0.991 100 E CB 0.417 29.881 29.700 -0.392 0.000 1.040 100 E HN 0.251 nan 8.360 nan 0.000 0.481 101 H N 0.287 119.274 119.070 -0.139 0.000 2.782 101 H HA 0.281 4.836 4.556 -0.001 0.000 0.347 101 H C -2.681 172.514 175.328 -0.221 0.000 1.038 101 H CA -2.284 53.679 56.048 -0.140 0.000 1.255 101 H CB 1.745 31.468 29.762 -0.065 0.000 1.623 101 H HN -0.107 nan 8.280 nan 0.000 0.525 102 P HA 0.043 nan 4.420 nan 0.000 0.268 102 P C -0.330 176.803 177.300 -0.278 0.000 1.204 102 P CA 0.275 63.059 63.100 -0.526 0.000 0.768 102 P CB 0.685 31.626 31.700 -1.265 0.000 0.842 103 T N 3.919 118.408 114.554 -0.109 0.000 2.792 103 T HA 0.430 4.779 4.350 -0.001 0.000 0.280 103 T C -0.641 174.227 174.700 0.280 0.000 0.990 103 T CA -0.375 61.767 62.100 0.070 0.000 0.960 103 T CB 0.512 69.374 68.868 -0.010 0.000 0.939 103 T HN 0.113 nan 8.240 nan 0.000 0.439 104 L N 5.323 126.736 121.223 0.317 0.000 2.272 104 L HA 0.657 4.996 4.340 -0.001 0.000 0.289 104 L C -1.278 175.655 176.870 0.105 0.000 1.032 104 L CA -0.431 54.586 54.840 0.295 0.000 0.810 104 L CB 0.298 42.496 42.059 0.231 0.000 1.205 104 L HN 0.589 nan 8.230 nan 0.000 0.422 105 L N 3.664 124.939 121.223 0.086 0.000 2.333 105 L HA 0.716 5.056 4.340 -0.001 0.000 0.269 105 L C 0.318 177.228 176.870 0.066 0.000 1.010 105 L CA -0.704 54.165 54.840 0.049 0.000 0.818 105 L CB 2.215 44.279 42.059 0.010 0.000 1.306 105 L HN 0.724 nan 8.230 nan 0.000 0.430 106 T N -1.512 113.085 114.554 0.072 0.000 2.952 106 T HA 0.732 5.081 4.350 -0.001 0.000 0.286 106 T C -0.665 174.071 174.700 0.061 0.000 1.024 106 T CA -0.693 61.435 62.100 0.046 0.000 1.029 106 T CB 2.068 70.952 68.868 0.027 0.000 1.094 106 T HN 0.768 nan 8.240 nan 0.000 0.515 107 E N 0.236 120.450 120.200 0.024 0.000 2.433 107 E HA 0.651 5.001 4.350 -0.001 0.000 0.278 107 E C -0.821 175.760 176.600 -0.032 0.000 0.976 107 E CA -1.654 54.759 56.400 0.022 0.000 0.793 107 E CB 1.423 31.143 29.700 0.033 0.000 1.311 107 E HN 0.860 nan 8.360 nan 0.000 0.460 108 A N 1.600 124.394 122.820 -0.043 0.000 2.406 108 A HA 0.296 4.616 4.320 -0.001 0.000 0.243 108 A C -1.637 175.824 177.584 -0.205 0.000 1.082 108 A CA -0.965 50.994 52.037 -0.130 0.000 0.786 108 A CB -0.421 18.531 19.000 -0.079 0.000 1.029 108 A HN 0.636 nan 8.150 nan 0.000 0.495 109 P HA -0.149 nan 4.420 nan 0.000 0.218 109 P C 0.379 177.556 177.300 -0.206 0.000 1.154 109 P CA 1.386 64.277 63.100 -0.349 0.000 0.872 109 P CB 0.050 31.405 31.700 -0.575 0.000 0.790 110 L N -2.198 118.924 121.223 -0.167 0.000 3.141 110 L HA 0.258 4.597 4.340 -0.001 0.000 0.263 110 L C 0.342 177.205 176.870 -0.011 0.000 1.312 110 L CA -0.719 54.086 54.840 -0.058 0.000 1.012 110 L CB -0.467 41.581 42.059 -0.017 0.000 1.408 110 L HN -0.147 nan 8.230 nan 0.000 0.559 111 N N 2.067 120.760 118.700 -0.013 0.000 2.412 111 N HA 0.085 4.824 4.740 -0.001 0.000 0.258 111 N C -2.330 173.220 175.510 0.065 0.000 1.236 111 N CA -0.797 52.273 53.050 0.033 0.000 0.882 111 N CB 0.642 39.152 38.487 0.039 0.000 1.066 111 N HN -0.035 nan 8.380 nan 0.000 0.465 112 P HA 0.042 nan 4.420 nan 0.000 0.268 112 P C 0.258 177.640 177.300 0.137 0.000 1.204 112 P CA -0.060 63.101 63.100 0.102 0.000 0.768 112 P CB 0.605 32.367 31.700 0.104 0.000 0.842 113 K N 2.462 122.954 120.400 0.154 0.000 2.059 113 K HA -0.245 4.074 4.320 -0.001 0.000 0.212 113 K C 1.952 178.673 176.600 0.201 0.000 1.050 113 K CA 2.094 58.527 56.287 0.243 0.000 0.927 113 K CB -0.613 32.026 32.500 0.231 0.000 0.714 113 K HN 0.493 nan 8.250 nan 0.000 0.447 114 A N 1.271 124.189 122.820 0.163 0.000 1.978 114 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 114 A C 1.905 179.589 177.584 0.166 0.000 1.170 114 A CA 2.047 54.172 52.037 0.146 0.000 0.636 114 A CB -0.744 18.335 19.000 0.132 0.000 0.810 114 A HN 0.424 nan 8.150 nan 0.000 0.448 115 N N -0.835 117.994 118.700 0.216 0.000 2.142 115 N HA -0.176 4.564 4.740 -0.001 0.000 0.186 115 N C 1.991 177.673 175.510 0.286 0.000 1.023 115 N CA 1.472 54.726 53.050 0.340 0.000 0.852 115 N CB -0.190 38.476 38.487 0.298 0.000 0.998 115 N HN 0.520 nan 8.380 nan 0.000 0.424 116 R N 0.777 121.378 120.500 0.168 0.000 2.073 116 R HA -0.112 4.228 4.340 -0.001 0.000 0.234 116 R C 1.708 178.018 176.300 0.017 0.000 1.134 116 R CA 1.693 57.841 56.100 0.081 0.000 0.952 116 R CB -0.130 30.164 30.300 -0.010 0.000 0.850 116 R HN 0.389 nan 8.270 nan 0.000 0.433 117 E N 0.145 120.346 120.200 0.002 0.000 2.118 117 E HA -0.213 4.137 4.350 -0.001 0.000 0.195 117 E C 1.948 178.535 176.600 -0.022 0.000 0.992 117 E CA 0.834 57.233 56.400 -0.003 0.000 0.804 117 E CB 0.006 29.735 29.700 0.048 0.000 0.741 117 E HN 0.138 nan 8.360 nan 0.000 0.458 118 K N 0.669 121.021 120.400 -0.080 0.000 2.148 118 K HA -0.053 4.267 4.320 -0.001 0.000 0.204 118 K C 1.983 178.384 176.600 -0.333 0.000 1.050 118 K CA 0.963 57.057 56.287 -0.323 0.000 0.942 118 K CB -0.043 32.073 32.500 -0.640 0.000 0.724 118 K HN 0.172 nan 8.250 nan 0.000 0.446 119 M N -0.210 119.340 119.600 -0.083 0.000 2.099 119 M HA -0.133 4.346 4.480 -0.001 0.000 0.262 119 M C 2.049 178.296 176.300 -0.088 0.000 1.067 119 M CA 1.802 57.164 55.300 0.103 0.000 1.124 119 M CB -0.451 32.304 32.600 0.258 0.000 1.353 119 M HN -0.007 nan 8.290 nan 0.000 0.410 120 T N 0.085 114.578 114.554 -0.102 0.000 2.720 120 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 120 T C 1.729 176.308 174.700 -0.201 0.000 1.037 120 T CA 1.582 63.579 62.100 -0.171 0.000 1.144 120 T CB -0.336 68.506 68.868 -0.044 0.000 0.864 120 T HN 0.482 nan 8.240 nan 0.000 0.444 121 Q N 0.537 120.290 119.800 -0.078 0.000 2.020 121 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 121 Q C 2.388 178.373 176.000 -0.024 0.000 0.982 121 Q CA 1.435 57.239 55.803 0.002 0.000 0.838 121 Q CB -0.320 28.459 28.738 0.068 0.000 0.899 121 Q HN 0.528 nan 8.270 nan 0.000 0.423 122 I N 0.566 121.119 120.570 -0.029 0.000 2.163 122 I HA -0.320 3.849 4.170 -0.001 0.000 0.243 122 I C 2.582 178.762 176.117 0.105 0.000 1.085 122 I CA 0.939 62.284 61.300 0.075 0.000 1.347 122 I CB -0.343 37.810 38.000 0.255 0.000 1.044 122 I HN 0.357 nan 8.210 nan 0.000 0.408 123 M N -0.074 119.486 119.600 -0.066 0.000 2.080 123 M HA -0.211 4.268 4.480 -0.001 0.000 0.260 123 M C 2.403 178.592 176.300 -0.185 0.000 1.068 123 M CA 2.126 57.320 55.300 -0.175 0.000 1.109 123 M CB -1.087 31.197 32.600 -0.526 0.000 1.342 123 M HN 0.130 nan 8.290 nan 0.000 0.405 124 F N 0.569 120.393 119.950 -0.209 0.000 2.094 124 F HA -0.093 4.434 4.527 -0.001 0.000 0.291 124 F C 2.534 178.294 175.800 -0.067 0.000 1.109 124 F CA 1.228 59.091 58.000 -0.229 0.000 1.221 124 F CB -0.933 37.674 39.000 -0.655 0.000 1.014 124 F HN 0.242 nan 8.300 nan 0.000 0.473 125 E N -0.736 119.569 120.200 0.174 0.000 2.072 125 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 125 E C 2.035 178.662 176.600 0.044 0.000 0.985 125 E CA 1.800 58.287 56.400 0.144 0.000 0.801 125 E CB -0.283 29.515 29.700 0.162 0.000 0.750 125 E HN 0.287 nan 8.360 nan 0.000 0.452 126 T N -0.226 114.315 114.554 -0.021 0.000 3.009 126 T HA 0.019 4.369 4.350 -0.001 0.000 0.258 126 T C 0.999 175.499 174.700 -0.333 0.000 1.063 126 T CA 0.646 62.625 62.100 -0.202 0.000 1.139 126 T CB 0.020 68.694 68.868 -0.324 0.000 0.890 126 T HN 0.041 nan 8.240 nan 0.000 0.471 127 F N 0.968 120.940 119.950 0.037 0.000 2.704 127 F HA 0.340 4.867 4.527 -0.001 0.000 0.304 127 F C 0.661 176.411 175.800 -0.084 0.000 1.094 127 F CA -0.798 57.184 58.000 -0.030 0.000 1.275 127 F CB -0.513 38.415 39.000 -0.119 0.000 1.073 127 F HN -0.001 nan 8.300 nan 0.000 0.586 128 N N -0.016 118.752 118.700 0.112 0.000 2.721 128 N HA -0.169 4.571 4.740 -0.001 0.000 0.249 128 N C -0.279 175.265 175.510 0.056 0.000 1.072 128 N CA 0.677 53.787 53.050 0.100 0.000 0.710 128 N CB -1.669 36.859 38.487 0.070 0.000 0.993 128 N HN 0.164 nan 8.380 nan 0.000 0.547 129 V N -1.972 117.934 119.914 -0.013 0.000 2.763 129 V HA 0.203 4.322 4.120 -0.001 0.000 0.306 129 V C -0.566 175.559 176.094 0.052 0.000 1.059 129 V CA -0.702 61.538 62.300 -0.101 0.000 1.138 129 V CB 0.980 32.644 31.823 -0.266 0.000 0.940 129 V HN 0.033 nan 8.190 nan 0.000 0.489 130 P HA 0.176 nan 4.420 nan 0.000 0.223 130 P C 0.339 177.733 177.300 0.157 0.000 1.151 130 P CA 1.660 64.793 63.100 0.055 0.000 0.787 130 P CB 0.351 32.017 31.700 -0.056 0.000 0.788 131 A N -0.990 121.879 122.820 0.082 0.000 2.586 131 A HA 0.734 5.053 4.320 -0.001 0.000 0.291 131 A C -1.119 176.450 177.584 -0.025 0.000 1.062 131 A CA -0.570 51.560 52.037 0.156 0.000 0.666 131 A CB 0.908 19.909 19.000 0.002 0.000 1.281 131 A HN 0.098 nan 8.150 nan 0.000 0.421 132 M N -0.650 119.055 119.600 0.175 0.000 2.949 132 M HA 0.889 5.368 4.480 -0.001 0.000 0.270 132 M C -1.316 175.276 176.300 0.487 0.000 1.221 132 M CA -0.551 54.873 55.300 0.206 0.000 0.818 132 M CB 1.256 33.687 32.600 -0.281 0.000 1.635 132 M HN 1.440 nan 8.290 nan 0.000 0.492 133 Y N -0.473 119.971 120.300 0.239 0.000 2.558 133 Y HA 0.770 5.319 4.550 -0.001 0.000 0.333 133 Y C -2.202 173.734 175.900 0.059 0.000 1.125 133 Y CA -0.907 57.270 58.100 0.128 0.000 1.039 133 Y CB 2.030 40.524 38.460 0.058 0.000 1.331 133 Y HN 0.759 nan 8.280 nan 0.000 0.456 134 V N 4.600 124.309 119.914 -0.342 0.000 2.407 134 V HA 0.862 4.982 4.120 -0.001 0.000 0.291 134 V C -0.440 175.539 176.094 -0.191 0.000 1.018 134 V CA -0.348 61.855 62.300 -0.162 0.000 0.842 134 V CB 1.042 32.773 31.823 -0.152 0.000 0.996 134 V HN 0.882 nan 8.190 nan 0.000 0.426 135 A N 5.381 128.235 122.820 0.057 0.000 2.340 135 A HA 0.869 5.189 4.320 -0.001 0.000 0.331 135 A C -0.437 177.139 177.584 -0.012 0.000 1.140 135 A CA -0.746 51.345 52.037 0.091 0.000 0.801 135 A CB 0.855 19.954 19.000 0.164 0.000 1.234 135 A HN 0.791 nan 8.150 nan 0.000 0.469 136 I N 2.407 122.945 120.570 -0.053 0.000 2.517 136 I HA -0.028 4.141 4.170 -0.001 0.000 0.285 136 I C 1.443 177.489 176.117 -0.119 0.000 1.106 136 I CA 0.082 61.326 61.300 -0.094 0.000 1.402 136 I CB 0.787 38.715 38.000 -0.121 0.000 1.399 136 I HN 0.906 nan 8.210 nan 0.000 0.535 137 Q N 4.873 124.616 119.800 -0.095 0.000 2.047 137 Q HA -0.302 4.037 4.340 -0.001 0.000 0.211 137 Q C 2.319 178.254 176.000 -0.108 0.000 1.005 137 Q CA 2.504 58.258 55.803 -0.081 0.000 0.866 137 Q CB -0.220 28.489 28.738 -0.048 0.000 0.938 137 Q HN 0.921 nan 8.270 nan 0.000 0.414 138 A N 0.145 122.893 122.820 -0.120 0.000 1.940 138 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 138 A C 2.332 179.813 177.584 -0.173 0.000 1.176 138 A CA 1.673 53.639 52.037 -0.118 0.000 0.631 138 A CB -0.770 18.161 19.000 -0.115 0.000 0.814 138 A HN 0.254 nan 8.150 nan 0.000 0.446 139 V N 0.041 119.807 119.914 -0.247 0.000 2.490 139 V HA -0.234 3.885 4.120 -0.001 0.000 0.250 139 V C 2.478 178.204 176.094 -0.613 0.000 1.061 139 V CA 1.775 63.819 62.300 -0.425 0.000 1.064 139 V CB -0.702 30.842 31.823 -0.465 0.000 0.670 139 V HN 0.571 nan 8.190 nan 0.000 0.461 140 L N -0.589 120.394 121.223 -0.399 0.000 2.093 140 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 140 L C 2.617 179.417 176.870 -0.118 0.000 1.085 140 L CA 1.290 55.966 54.840 -0.274 0.000 0.755 140 L CB -0.576 41.380 42.059 -0.170 0.000 0.904 140 L HN 0.287 nan 8.230 nan 0.000 0.435 141 S N 0.160 115.803 115.700 -0.095 0.000 2.382 141 S HA -0.173 4.296 4.470 -0.001 0.000 0.228 141 S C 1.833 176.431 174.600 -0.003 0.000 1.027 141 S CA 1.227 59.412 58.200 -0.025 0.000 0.991 141 S CB -0.225 62.964 63.200 -0.019 0.000 0.823 141 S HN 0.241 nan 8.310 nan 0.000 0.469 142 L N 0.578 121.780 121.223 -0.034 0.000 2.056 142 L HA -0.023 4.317 4.340 -0.001 0.000 0.207 142 L C 1.899 178.866 176.870 0.161 0.000 1.078 142 L CA 1.776 56.637 54.840 0.036 0.000 0.749 142 L CB -0.860 41.203 42.059 0.007 0.000 0.901 142 L HN 0.236 nan 8.230 nan 0.000 0.433 143 Y N 0.196 120.465 120.300 -0.052 0.000 2.207 143 Y HA -0.165 4.384 4.550 -0.001 0.000 0.287 143 Y C 2.650 178.513 175.900 -0.063 0.000 1.156 143 Y CA 0.660 58.717 58.100 -0.071 0.000 1.182 143 Y CB -1.530 36.864 38.460 -0.110 0.000 0.979 143 Y HN 0.325 nan 8.280 nan 0.000 0.521 144 A N -0.298 122.593 122.820 0.117 0.000 2.024 144 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 144 A C 2.231 179.843 177.584 0.048 0.000 1.164 144 A CA 1.906 53.978 52.037 0.058 0.000 0.643 144 A CB -0.876 18.156 19.000 0.053 0.000 0.806 144 A HN 0.446 nan 8.150 nan 0.000 0.451 145 S N -1.766 113.967 115.700 0.055 0.000 2.605 145 S HA 0.406 4.875 4.470 -0.001 0.000 0.217 145 S C 1.152 175.769 174.600 0.028 0.000 0.958 145 S CA 0.747 58.971 58.200 0.041 0.000 0.919 145 S CB -0.479 62.746 63.200 0.043 0.000 0.780 145 S HN 1.898 nan 8.310 nan 0.000 0.507 146 G N 1.901 110.713 108.800 0.020 0.000 2.272 146 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.280 146 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.280 146 G C -0.176 174.716 174.900 -0.013 0.000 1.067 146 G CA -0.213 44.878 45.100 -0.015 0.000 0.902 146 G HN 0.518 nan 8.290 nan 0.000 0.500 147 R N -1.248 119.265 120.500 0.020 0.000 2.771 147 R HA 0.697 5.036 4.340 -0.001 0.000 0.274 147 R C 0.884 177.230 176.300 0.077 0.000 0.987 147 R CA -0.055 56.060 56.100 0.026 0.000 0.908 147 R CB 1.177 31.501 30.300 0.040 0.000 1.213 147 R HN 0.470 nan 8.270 nan 0.000 0.468 148 T N -3.572 111.007 114.554 0.041 0.000 3.044 148 T HA 0.198 4.547 4.350 -0.001 0.000 0.260 148 T C 0.310 175.048 174.700 0.063 0.000 1.019 148 T CA 0.047 62.212 62.100 0.109 0.000 0.921 148 T CB 0.454 69.327 68.868 0.007 0.000 1.053 148 T HN 0.348 nan 8.240 nan 0.000 0.533 149 T N 1.145 115.712 114.554 0.021 0.000 2.881 149 T HA 0.732 5.081 4.350 -0.001 0.000 0.290 149 T C -0.152 174.581 174.700 0.055 0.000 1.000 149 T CA -0.169 61.943 62.100 0.020 0.000 0.978 149 T CB 1.604 70.448 68.868 -0.039 0.000 0.997 149 T HN 0.710 nan 8.240 nan 0.000 0.443 150 G N 1.641 110.479 108.800 0.063 0.000 2.324 150 G HA2 0.416 4.375 3.960 -0.001 0.000 0.293 150 G HA3 0.416 4.375 3.960 -0.001 0.000 0.293 150 G C -2.142 172.768 174.900 0.018 0.000 1.297 150 G CA -0.845 44.283 45.100 0.047 0.000 0.853 150 G HN 0.835 nan 8.290 nan 0.000 0.535 151 I N 0.556 121.128 120.570 0.004 0.000 2.406 151 I HA 0.665 4.835 4.170 -0.001 0.000 0.290 151 I C -0.562 175.548 176.117 -0.011 0.000 0.999 151 I CA -1.069 60.218 61.300 -0.022 0.000 1.124 151 I CB 1.632 39.604 38.000 -0.047 0.000 1.289 151 I HN 0.354 nan 8.210 nan 0.000 0.441 152 V N 7.806 127.705 119.914 -0.024 0.000 2.472 152 V HA 0.339 4.458 4.120 -0.001 0.000 0.290 152 V C -0.338 175.751 176.094 -0.008 0.000 1.037 152 V CA -0.669 61.622 62.300 -0.015 0.000 0.908 152 V CB 1.585 33.388 31.823 -0.033 0.000 0.985 152 V HN 0.548 nan 8.190 nan 0.000 0.454 153 L N 4.445 125.670 121.223 0.004 0.000 2.295 153 L HA 0.564 4.904 4.340 -0.001 0.000 0.281 153 L C -0.485 176.390 176.870 0.008 0.000 1.018 153 L CA 0.351 55.193 54.840 0.003 0.000 0.841 153 L CB 1.093 43.153 42.059 0.003 0.000 1.218 153 L HN 0.659 nan 8.230 nan 0.000 0.424 154 D N 3.156 123.567 120.400 0.019 0.000 2.414 154 D HA 0.263 4.902 4.640 -0.001 0.000 0.232 154 D C -1.296 175.021 176.300 0.027 0.000 1.070 154 D CA 0.048 54.066 54.000 0.028 0.000 0.839 154 D CB 1.641 42.465 40.800 0.040 0.000 1.079 154 D HN 0.477 nan 8.370 nan 0.000 0.521 155 S N 2.295 118.002 115.700 0.012 0.000 2.707 155 S HA 0.670 5.139 4.470 -0.001 0.000 0.312 155 S C 0.191 174.798 174.600 0.011 0.000 1.116 155 S CA -0.531 57.669 58.200 -0.001 0.000 1.078 155 S CB 1.092 64.283 63.200 -0.015 0.000 0.997 155 S HN 0.547 nan 8.310 nan 0.000 0.477 156 G N 2.982 111.790 108.800 0.013 0.000 3.410 156 G HA2 0.238 4.197 3.960 -0.001 0.000 0.189 156 G HA3 0.238 4.197 3.960 -0.001 0.000 0.189 156 G C 0.270 175.177 174.900 0.011 0.000 1.404 156 G CA 0.029 45.138 45.100 0.016 0.000 0.898 156 G HN 0.599 nan 8.290 nan 0.000 0.650 157 D N -1.229 119.179 120.400 0.012 0.000 2.197 157 D HA 0.130 4.769 4.640 -0.001 0.000 0.212 157 D C 2.256 178.552 176.300 -0.007 0.000 0.963 157 D CA 1.468 55.474 54.000 0.010 0.000 0.864 157 D CB -0.011 40.804 40.800 0.024 0.000 1.009 157 D HN 0.357 nan 8.370 nan 0.000 0.479 158 G N -0.679 108.114 108.800 -0.011 0.000 2.848 158 G HA2 0.316 4.275 3.960 -0.001 0.000 0.213 158 G HA3 0.316 4.275 3.960 -0.001 0.000 0.213 158 G C -0.216 174.656 174.900 -0.048 0.000 1.101 158 G CA 0.134 45.214 45.100 -0.033 0.000 0.778 158 G HN 0.212 nan 8.290 nan 0.000 0.536 159 V N 0.203 120.093 119.914 -0.040 0.000 3.012 159 V HA 0.703 4.822 4.120 -0.001 0.000 0.307 159 V C -1.377 174.653 176.094 -0.107 0.000 1.166 159 V CA -0.420 61.823 62.300 -0.096 0.000 0.974 159 V CB 2.452 34.228 31.823 -0.078 0.000 1.040 159 V HN 0.024 nan 8.190 nan 0.000 0.428 160 T N 4.467 118.890 114.554 -0.218 0.000 2.807 160 T HA 0.711 5.060 4.350 -0.001 0.000 0.279 160 T C -1.243 173.265 174.700 -0.320 0.000 0.993 160 T CA -0.189 61.806 62.100 -0.176 0.000 0.970 160 T CB 0.944 69.720 68.868 -0.153 0.000 0.950 160 T HN 0.815 nan 8.240 nan 0.000 0.441 161 H N 1.323 120.357 119.070 -0.059 0.000 2.821 161 H HA 0.532 5.087 4.556 -0.001 0.000 0.373 161 H C -0.515 174.773 175.328 -0.066 0.000 1.165 161 H CA -0.725 55.286 56.048 -0.063 0.000 1.154 161 H CB 1.467 31.194 29.762 -0.059 0.000 1.765 161 H HN 0.479 nan 8.280 nan 0.000 0.549 162 N N 0.604 119.346 118.700 0.070 0.000 2.399 162 N HA 0.461 5.200 4.740 -0.001 0.000 0.280 162 N C -1.687 173.814 175.510 -0.016 0.000 1.008 162 N CA -0.457 52.595 53.050 0.003 0.000 0.894 162 N CB 1.835 40.304 38.487 -0.030 0.000 1.273 162 N HN 0.131 nan 8.380 nan 0.000 0.486 163 V N 3.839 123.727 119.914 -0.043 0.000 2.409 163 V HA 0.458 4.578 4.120 -0.001 0.000 0.290 163 V C -2.374 173.661 176.094 -0.099 0.000 1.017 163 V CA -1.761 60.486 62.300 -0.089 0.000 0.841 163 V CB 1.478 33.235 31.823 -0.111 0.000 1.003 163 V HN 0.558 nan 8.190 nan 0.000 0.426 164 P HA 0.515 nan 4.420 nan 0.000 0.281 164 P C -0.761 176.480 177.300 -0.098 0.000 1.252 164 P CA -0.067 62.971 63.100 -0.102 0.000 0.778 164 P CB 0.833 32.455 31.700 -0.129 0.000 0.895 165 I N 3.342 123.894 120.570 -0.030 0.000 2.533 165 I HA 0.356 4.525 4.170 -0.001 0.000 0.290 165 I C -1.025 175.175 176.117 0.137 0.000 1.056 165 I CA -0.875 60.428 61.300 0.004 0.000 1.057 165 I CB 1.930 39.913 38.000 -0.028 0.000 1.240 165 I HN 0.273 nan 8.210 nan 0.000 0.423 166 Y N 5.486 125.814 120.300 0.047 0.000 2.338 166 Y HA 0.291 4.840 4.550 -0.001 0.000 0.328 166 Y C 0.211 176.192 175.900 0.135 0.000 0.965 166 Y CA -0.797 57.360 58.100 0.095 0.000 1.208 166 Y CB 0.790 39.323 38.460 0.121 0.000 1.132 166 Y HN 0.601 nan 8.280 nan 0.000 0.469 167 E N 4.282 124.298 120.200 -0.306 0.000 2.269 167 E HA -0.276 4.073 4.350 -0.001 0.000 0.223 167 E C 1.134 177.761 176.600 0.044 0.000 1.244 167 E CA 1.332 57.620 56.400 -0.187 0.000 0.713 167 E CB -1.399 28.123 29.700 -0.297 0.000 1.178 167 E HN 1.220 nan 8.360 nan 0.000 0.370 168 G N -0.368 108.513 108.800 0.134 0.000 2.199 168 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.254 168 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.254 168 G C -0.170 174.849 174.900 0.197 0.000 0.982 168 G CA 0.397 45.631 45.100 0.222 0.000 0.632 168 G HN 0.404 nan 8.290 nan 0.000 0.529 169 Y N 2.193 122.541 120.300 0.081 0.000 2.404 169 Y HA 0.660 5.209 4.550 -0.001 0.000 0.344 169 Y C 0.416 176.349 175.900 0.056 0.000 0.970 169 Y CA -1.018 57.130 58.100 0.079 0.000 1.180 169 Y CB 0.699 39.226 38.460 0.112 0.000 1.138 169 Y HN 0.609 nan 8.280 nan 0.000 0.510 170 A N 7.107 129.594 122.820 -0.555 0.000 2.404 170 A HA 0.373 4.693 4.320 -0.001 0.000 0.273 170 A C -0.769 176.297 177.584 -0.864 0.000 1.144 170 A CA -0.579 51.144 52.037 -0.523 0.000 0.806 170 A CB -0.121 18.681 19.000 -0.330 0.000 1.080 170 A HN 0.696 nan 8.150 nan 0.000 0.509 171 L N 6.390 127.261 121.223 -0.587 0.000 2.454 171 L HA 0.155 4.494 4.340 -0.001 0.000 0.284 171 L C -0.975 175.606 176.870 -0.482 0.000 1.139 171 L CA -1.242 53.268 54.840 -0.550 0.000 0.911 171 L CB 0.187 41.961 42.059 -0.475 0.000 1.262 171 L HN 0.591 nan 8.230 nan 0.000 0.453 172 P HA -0.220 nan 4.420 nan 0.000 0.216 172 P C 1.178 178.406 177.300 -0.120 0.000 1.153 172 P CA 1.641 64.656 63.100 -0.141 0.000 0.858 172 P CB -0.151 31.552 31.700 0.005 0.000 0.789 173 H N -1.174 117.878 119.070 -0.030 0.000 2.563 173 H HA 0.354 4.909 4.556 -0.001 0.000 0.272 173 H C 1.228 176.533 175.328 -0.038 0.000 1.005 173 H CA 0.957 56.992 56.048 -0.023 0.000 1.171 173 H CB -0.506 29.250 29.762 -0.008 0.000 1.351 173 H HN 0.144 nan 8.280 nan 0.000 0.602 174 A N 1.103 123.687 122.820 -0.394 0.000 2.431 174 A HA 0.285 4.604 4.320 -0.001 0.000 0.239 174 A C 0.925 178.410 177.584 -0.166 0.000 1.230 174 A CA -0.503 51.384 52.037 -0.249 0.000 0.928 174 A CB 0.177 18.992 19.000 -0.309 0.000 1.006 174 A HN 0.194 nan 8.150 nan 0.000 0.520 175 I N 2.182 122.662 120.570 -0.149 0.000 2.618 175 I HA 0.080 4.250 4.170 -0.001 0.000 0.284 175 I C -0.120 175.977 176.117 -0.034 0.000 1.146 175 I CA 0.407 61.657 61.300 -0.083 0.000 1.425 175 I CB 0.683 38.641 38.000 -0.071 0.000 1.383 175 I HN 0.221 nan 8.210 nan 0.000 0.562 176 M N 6.880 126.469 119.600 -0.018 0.000 2.598 176 M HA 0.528 5.007 4.480 -0.001 0.000 0.317 176 M C -0.381 175.904 176.300 -0.025 0.000 1.179 176 M CA -0.490 54.792 55.300 -0.030 0.000 0.936 176 M CB 1.948 34.513 32.600 -0.059 0.000 1.713 176 M HN 0.547 nan 8.290 nan 0.000 0.460 177 R N 1.528 121.977 120.500 -0.085 0.000 2.837 177 R HA 0.855 5.194 4.340 -0.001 0.000 0.271 177 R C -2.123 174.057 176.300 -0.200 0.000 0.993 177 R CA -0.770 55.199 56.100 -0.219 0.000 0.931 177 R CB 2.178 32.347 30.300 -0.218 0.000 1.206 177 R HN 0.572 nan 8.270 nan 0.000 0.474 178 L N 2.445 123.514 121.223 -0.257 0.000 2.541 178 L HA 0.344 4.683 4.340 -0.001 0.000 0.266 178 L C -1.557 175.196 176.870 -0.195 0.000 0.966 178 L CA -0.261 54.464 54.840 -0.192 0.000 0.871 178 L CB 2.090 44.041 42.059 -0.180 0.000 1.232 178 L HN 0.636 nan 8.230 nan 0.000 0.408 179 D N 6.521 126.830 120.400 -0.152 0.000 2.671 179 D HA 0.253 4.892 4.640 -0.001 0.000 0.228 179 D C -0.626 175.606 176.300 -0.114 0.000 1.102 179 D CA 0.645 54.568 54.000 -0.128 0.000 1.044 179 D CB 0.254 40.995 40.800 -0.098 0.000 1.113 179 D HN 0.480 nan 8.370 nan 0.000 0.480 180 L N 0.069 121.217 121.223 -0.124 0.000 2.641 180 L HA 0.580 4.919 4.340 -0.001 0.000 0.261 180 L C -1.635 175.172 176.870 -0.105 0.000 0.926 180 L CA -0.275 54.498 54.840 -0.113 0.000 0.917 180 L CB 1.426 43.405 42.059 -0.133 0.000 1.361 180 L HN 0.176 nan 8.230 nan 0.000 0.417 181 A N 3.068 125.844 122.820 -0.073 0.000 4.642 181 A HA 0.689 5.008 4.320 -0.001 0.000 0.248 181 A C 0.875 178.453 177.584 -0.009 0.000 0.987 181 A CA 0.207 52.217 52.037 -0.045 0.000 0.622 181 A CB -0.223 18.755 19.000 -0.037 0.000 1.769 181 A HN 0.881 nan 8.150 nan 0.000 0.864 182 G N 0.292 109.101 108.800 0.016 0.000 2.476 182 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 182 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 182 G C 1.473 176.390 174.900 0.028 0.000 1.164 182 G CA 1.745 46.869 45.100 0.041 0.000 0.768 182 G HN 0.984 nan 8.290 nan 0.000 0.560 183 R N 0.307 120.809 120.500 0.002 0.000 2.075 183 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 183 R C 1.858 178.158 176.300 -0.001 0.000 1.126 183 R CA 1.685 57.780 56.100 -0.008 0.000 0.963 183 R CB -0.747 29.529 30.300 -0.042 0.000 0.858 183 R HN 0.258 nan 8.270 nan 0.000 0.435 184 D N 1.016 121.411 120.400 -0.008 0.000 2.144 184 D HA -0.121 4.518 4.640 -0.001 0.000 0.199 184 D C 1.912 178.241 176.300 0.049 0.000 0.984 184 D CA 1.027 55.027 54.000 0.000 0.000 0.834 184 D CB 0.013 40.790 40.800 -0.037 0.000 0.955 184 D HN 0.145 nan 8.370 nan 0.000 0.465 185 L N 1.053 122.306 121.223 0.050 0.000 2.093 185 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 185 L C 2.590 179.531 176.870 0.117 0.000 1.085 185 L CA 1.502 56.404 54.840 0.103 0.000 0.755 185 L CB -1.055 41.063 42.059 0.098 0.000 0.904 185 L HN -0.031 nan 8.230 nan 0.000 0.435 186 T N -0.946 113.647 114.554 0.066 0.000 2.737 186 T HA -0.156 4.193 4.350 -0.001 0.000 0.265 186 T C 1.491 176.200 174.700 0.014 0.000 1.038 186 T CA 1.418 63.531 62.100 0.021 0.000 1.144 186 T CB -0.221 68.649 68.868 0.004 0.000 0.866 186 T HN 0.305 nan 8.240 nan 0.000 0.434 187 D N 0.172 120.595 120.400 0.038 0.000 2.123 187 D HA -0.108 4.531 4.640 -0.001 0.000 0.196 187 D C 1.760 178.109 176.300 0.082 0.000 0.992 187 D CA 1.130 55.157 54.000 0.044 0.000 0.833 187 D CB -0.343 40.483 40.800 0.045 0.000 0.954 187 D HN 0.412 nan 8.370 nan 0.000 0.455 188 Y N 1.129 121.417 120.300 -0.020 0.000 2.293 188 Y HA -0.109 4.440 4.550 -0.001 0.000 0.291 188 Y C 2.047 177.932 175.900 -0.024 0.000 1.137 188 Y CA 0.628 58.720 58.100 -0.013 0.000 1.202 188 Y CB -0.276 38.184 38.460 -0.000 0.000 0.990 188 Y HN -0.099 nan 8.280 nan 0.000 0.537 189 L N -0.048 121.112 121.223 -0.104 0.000 2.093 189 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 189 L C 2.102 178.837 176.870 -0.224 0.000 1.085 189 L CA 1.686 56.392 54.840 -0.225 0.000 0.755 189 L CB -0.695 41.281 42.059 -0.139 0.000 0.904 189 L HN 0.289 nan 8.230 nan 0.000 0.435 190 M N -0.619 118.893 119.600 -0.147 0.000 2.086 190 M HA -0.248 4.231 4.480 -0.001 0.000 0.261 190 M C 2.313 178.601 176.300 -0.020 0.000 1.067 190 M CA 2.067 57.319 55.300 -0.080 0.000 1.116 190 M CB -0.433 32.162 32.600 -0.008 0.000 1.348 190 M HN 0.228 nan 8.290 nan 0.000 0.407 191 K N 1.475 121.834 120.400 -0.069 0.000 2.026 191 K HA -0.183 4.136 4.320 -0.001 0.000 0.208 191 K C 1.759 178.283 176.600 -0.126 0.000 1.048 191 K CA 1.787 58.033 56.287 -0.067 0.000 0.929 191 K CB -0.355 32.121 32.500 -0.040 0.000 0.713 191 K HN 0.534 nan 8.250 nan 0.000 0.439 192 I N -1.454 118.944 120.570 -0.287 0.000 2.546 192 I HA -0.127 4.043 4.170 -0.001 0.000 0.255 192 I C 1.784 177.828 176.117 -0.121 0.000 1.163 192 I CA 0.567 61.707 61.300 -0.268 0.000 1.457 192 I CB -0.202 37.523 38.000 -0.458 0.000 1.092 192 I HN 0.036 nan 8.210 nan 0.000 0.434 193 L N 1.505 122.695 121.223 -0.054 0.000 2.093 193 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 193 L C 2.558 179.560 176.870 0.220 0.000 1.085 193 L CA 1.943 56.862 54.840 0.132 0.000 0.755 193 L CB -1.217 40.928 42.059 0.144 0.000 0.904 193 L HN 0.275 nan 8.230 nan 0.000 0.435 194 T N -1.033 113.613 114.554 0.154 0.000 2.904 194 T HA -0.117 4.233 4.350 -0.001 0.000 0.267 194 T C 1.608 176.308 174.700 -0.000 0.000 1.059 194 T CA 1.007 63.167 62.100 0.101 0.000 1.137 194 T CB -0.036 68.881 68.868 0.082 0.000 0.879 194 T HN 0.422 nan 8.240 nan 0.000 0.467 195 E N 0.684 120.867 120.200 -0.029 0.000 2.274 195 E HA -0.056 4.294 4.350 -0.001 0.000 0.194 195 E C 2.247 178.793 176.600 -0.090 0.000 0.996 195 E CA 0.438 56.802 56.400 -0.060 0.000 0.840 195 E CB -0.018 29.640 29.700 -0.070 0.000 0.772 195 E HN 0.106 nan 8.360 nan 0.000 0.491 196 R N -0.039 120.402 120.500 -0.099 0.000 2.236 196 R HA -0.041 4.298 4.340 -0.001 0.000 0.208 196 R C 1.242 177.345 176.300 -0.329 0.000 1.036 196 R CA 1.431 57.430 56.100 -0.169 0.000 1.001 196 R CB 0.046 30.282 30.300 -0.107 0.000 0.896 196 R HN 0.243 nan 8.270 nan 0.000 0.464 197 G N -2.755 105.858 108.800 -0.312 0.000 2.705 197 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.193 197 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.193 197 G C -0.355 174.344 174.900 -0.334 0.000 1.015 197 G CA -0.127 44.757 45.100 -0.361 0.000 0.743 197 G HN 0.159 nan 8.290 nan 0.000 0.476 198 Y N 1.251 121.536 120.300 -0.024 0.000 2.240 198 Y HA 0.704 5.254 4.550 -0.001 0.000 0.341 198 Y C 1.018 176.830 175.900 -0.147 0.000 1.326 198 Y CA -0.276 57.767 58.100 -0.094 0.000 1.569 198 Y CB 0.874 39.324 38.460 -0.018 0.000 1.426 198 Y HN 0.146 nan 8.280 nan 0.000 0.587 199 S N 0.549 116.141 115.700 -0.180 0.000 2.779 199 S HA 0.599 5.068 4.470 -0.001 0.000 0.293 199 S C -1.857 172.499 174.600 -0.407 0.000 1.150 199 S CA -0.519 57.569 58.200 -0.186 0.000 1.057 199 S CB -0.444 62.678 63.200 -0.128 0.000 1.021 199 S HN 0.391 nan 8.310 nan 0.000 0.485 200 F N 4.507 124.478 119.950 0.035 0.000 2.532 200 F HA 0.364 4.890 4.527 -0.001 0.000 0.365 200 F C 0.816 176.620 175.800 0.007 0.000 1.112 200 F CA -0.618 57.392 58.000 0.017 0.000 1.082 200 F CB 1.802 40.805 39.000 0.005 0.000 1.319 200 F HN 0.445 nan 8.300 nan 0.000 0.457 201 V N -1.618 118.379 119.914 0.139 0.000 3.408 201 V HA 0.213 4.333 4.120 -0.001 0.000 0.263 201 V C 0.656 176.792 176.094 0.070 0.000 1.503 201 V CA 0.491 62.844 62.300 0.088 0.000 1.046 201 V CB 0.199 32.050 31.823 0.048 0.000 0.851 201 V HN 0.502 nan 8.190 nan 0.000 0.435 202 T N -1.889 112.709 114.554 0.072 0.000 2.874 202 T HA 0.301 4.650 4.350 -0.001 0.000 0.281 202 T C 1.201 175.940 174.700 0.065 0.000 0.994 202 T CA 0.778 62.911 62.100 0.056 0.000 1.015 202 T CB 1.164 70.057 68.868 0.042 0.000 1.028 202 T HN 0.246 nan 8.240 nan 0.000 0.523 203 T N 1.624 116.208 114.554 0.049 0.000 2.685 203 T HA -0.161 4.188 4.350 -0.001 0.000 0.268 203 T C 2.305 177.039 174.700 0.057 0.000 1.034 203 T CA 1.840 63.969 62.100 0.049 0.000 1.149 203 T CB -0.911 67.981 68.868 0.040 0.000 0.860 203 T HN 0.823 nan 8.240 nan 0.000 0.449 204 A N 1.908 124.764 122.820 0.059 0.000 1.858 204 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 204 A C 2.206 179.852 177.584 0.103 0.000 1.190 204 A CA 1.600 53.678 52.037 0.068 0.000 0.617 204 A CB -0.551 18.483 19.000 0.057 0.000 0.827 204 A HN 0.640 nan 8.150 nan 0.000 0.443 205 E N -0.515 119.770 120.200 0.142 0.000 2.204 205 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 205 E C 2.153 178.877 176.600 0.207 0.000 0.990 205 E CA 0.969 57.535 56.400 0.276 0.000 0.821 205 E CB -0.283 29.626 29.700 0.349 0.000 0.750 205 E HN 0.627 nan 8.360 nan 0.000 0.477 206 R N 1.343 121.911 120.500 0.112 0.000 2.075 206 R HA -0.177 4.162 4.340 -0.001 0.000 0.232 206 R C 2.070 178.375 176.300 0.008 0.000 1.126 206 R CA 1.385 57.510 56.100 0.041 0.000 0.963 206 R CB 0.044 30.368 30.300 0.041 0.000 0.858 206 R HN -0.027 nan 8.270 nan 0.000 0.435 207 E N 0.746 120.969 120.200 0.037 0.000 2.153 207 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 207 E C 1.785 178.397 176.600 0.021 0.000 0.988 207 E CA 1.222 57.641 56.400 0.031 0.000 0.811 207 E CB -0.114 29.615 29.700 0.048 0.000 0.746 207 E HN 0.449 nan 8.360 nan 0.000 0.466 208 I N -0.787 119.808 120.570 0.041 0.000 2.353 208 I HA -0.188 3.981 4.170 -0.001 0.000 0.248 208 I C 2.001 178.013 176.117 -0.175 0.000 1.119 208 I CA 0.483 61.807 61.300 0.040 0.000 1.417 208 I CB -0.056 38.062 38.000 0.197 0.000 1.078 208 I HN 0.001 nan 8.210 nan 0.000 0.421 209 V N 0.851 120.593 119.914 -0.285 0.000 2.453 209 V HA -0.216 3.903 4.120 -0.001 0.000 0.247 209 V C 2.599 178.540 176.094 -0.256 0.000 1.048 209 V CA 1.575 63.612 62.300 -0.438 0.000 1.049 209 V CB -0.742 30.799 31.823 -0.470 0.000 0.672 209 V HN 0.404 nan 8.190 nan 0.000 0.457 210 R N 0.252 120.668 120.500 -0.140 0.000 2.096 210 R HA -0.235 4.104 4.340 -0.001 0.000 0.235 210 R C 2.044 178.290 176.300 -0.090 0.000 1.127 210 R CA 2.229 58.279 56.100 -0.084 0.000 0.968 210 R CB -0.342 29.937 30.300 -0.036 0.000 0.861 210 R HN 0.607 nan 8.270 nan 0.000 0.440 211 D N -0.088 120.259 120.400 -0.088 0.000 2.144 211 D HA -0.099 4.541 4.640 -0.001 0.000 0.200 211 D C 1.883 178.096 176.300 -0.145 0.000 0.978 211 D CA 1.106 55.075 54.000 -0.050 0.000 0.833 211 D CB 0.077 40.910 40.800 0.055 0.000 0.961 211 D HN 0.283 nan 8.370 nan 0.000 0.470 212 I N 0.213 120.567 120.570 -0.360 0.000 2.202 212 I HA -0.215 3.954 4.170 -0.001 0.000 0.242 212 I C 2.478 178.453 176.117 -0.236 0.000 1.091 212 I CA 0.889 61.870 61.300 -0.531 0.000 1.368 212 I CB -0.320 37.246 38.000 -0.724 0.000 1.058 212 I HN 0.041 nan 8.210 nan 0.000 0.410 213 K N 1.385 121.684 120.400 -0.169 0.000 2.044 213 K HA -0.234 4.086 4.320 -0.001 0.000 0.210 213 K C 1.757 178.343 176.600 -0.024 0.000 1.049 213 K CA 1.860 58.125 56.287 -0.037 0.000 0.927 213 K CB -0.051 32.447 32.500 -0.004 0.000 0.713 213 K HN 0.383 nan 8.250 nan 0.000 0.443 214 E N -0.447 119.705 120.200 -0.079 0.000 2.482 214 E HA -0.086 4.263 4.350 -0.001 0.000 0.196 214 E C 1.438 177.998 176.600 -0.065 0.000 1.047 214 E CA 0.599 56.930 56.400 -0.114 0.000 0.869 214 E CB 0.328 29.968 29.700 -0.100 0.000 0.836 214 E HN 0.292 nan 8.360 nan 0.000 0.520 215 K N -0.330 120.058 120.400 -0.020 0.000 2.387 215 K HA 0.203 4.522 4.320 -0.001 0.000 0.197 215 K C 1.549 178.189 176.600 0.067 0.000 1.127 215 K CA 0.116 56.421 56.287 0.030 0.000 0.950 215 K CB 0.702 33.247 32.500 0.075 0.000 1.017 215 K HN -0.011 nan 8.250 nan 0.000 0.519 216 L N 0.273 121.535 121.223 0.065 0.000 2.701 216 L HA 0.229 4.568 4.340 -0.001 0.000 0.238 216 L C 0.341 177.338 176.870 0.212 0.000 1.106 216 L CA -0.369 54.544 54.840 0.122 0.000 0.898 216 L CB 0.840 42.946 42.059 0.078 0.000 1.188 216 L HN 0.056 nan 8.230 nan 0.000 0.508 217 C N 0.817 120.240 119.300 0.205 0.000 2.534 217 C HA 0.429 4.888 4.460 -0.001 0.000 0.385 217 C C -0.124 175.152 174.990 0.476 0.000 1.264 217 C CA -0.358 58.838 59.018 0.296 0.000 2.342 217 C CB -0.294 27.664 27.740 0.363 0.000 2.564 217 C HN 0.405 nan 8.230 nan 0.000 0.603 218 Y N -0.783 119.708 120.300 0.319 0.000 2.604 218 Y HA 0.628 5.177 4.550 -0.002 0.000 0.331 218 Y C -1.230 174.817 175.900 0.245 0.000 1.158 218 Y CA -1.318 56.959 58.100 0.294 0.000 1.056 218 Y CB 0.191 38.775 38.460 0.207 0.000 1.330 218 Y HN 0.301 nan 8.280 nan 0.000 0.457 219 V N 3.129 123.220 119.914 0.296 0.000 2.461 219 V HA 0.679 4.798 4.120 -0.001 0.000 0.275 219 V C 0.561 176.774 176.094 0.199 0.000 1.047 219 V CA -0.087 62.303 62.300 0.150 0.000 0.955 219 V CB 0.700 32.619 31.823 0.159 0.000 0.988 219 V HN 1.015 nan 8.190 nan 0.000 0.471 220 A N 4.331 127.186 122.820 0.058 0.000 2.363 220 A HA 0.456 4.776 4.320 -0.001 0.000 0.270 220 A C 0.877 178.429 177.584 -0.053 0.000 1.121 220 A CA -0.382 51.660 52.037 0.008 0.000 0.800 220 A CB 0.424 19.277 19.000 -0.245 0.000 1.052 220 A HN 0.848 nan 8.150 nan 0.000 0.493 221 L N 1.201 122.395 121.223 -0.047 0.000 2.012 221 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 221 L C 0.483 177.283 176.870 -0.117 0.000 1.073 221 L CA 2.391 57.178 54.840 -0.089 0.000 0.748 221 L CB -0.251 41.770 42.059 -0.063 0.000 0.891 221 L HN 0.781 nan 8.230 nan 0.000 0.431 222 D N -1.841 118.498 120.400 -0.102 0.000 2.469 222 D HA 0.073 4.713 4.640 -0.001 0.000 0.251 222 D C 0.708 176.961 176.300 -0.078 0.000 1.173 222 D CA -0.515 53.435 54.000 -0.083 0.000 0.882 222 D CB 0.453 41.204 40.800 -0.082 0.000 1.129 222 D HN 0.058 nan 8.370 nan 0.000 0.549 223 F N 3.542 123.400 119.950 -0.153 0.000 2.026 223 F HA -0.170 4.357 4.527 -0.000 0.000 0.296 223 F C 1.876 177.655 175.800 -0.035 0.000 1.133 223 F CA 1.653 59.596 58.000 -0.094 0.000 1.188 223 F CB 0.169 39.155 39.000 -0.023 0.000 0.968 223 F HN 0.393 nan 8.300 nan 0.000 0.476 224 E N 0.325 120.466 120.200 -0.098 0.000 2.097 224 E HA -0.281 4.068 4.350 -0.001 0.000 0.196 224 E C 2.166 178.654 176.600 -0.188 0.000 1.000 224 E CA 1.475 57.780 56.400 -0.157 0.000 0.804 224 E CB -1.489 28.216 29.700 0.007 0.000 0.740 224 E HN 0.693 nan 8.360 nan 0.000 0.454 225 N N 1.425 120.036 118.700 -0.148 0.000 2.120 225 N HA -0.221 4.518 4.740 -0.001 0.000 0.188 225 N C 1.903 177.300 175.510 -0.188 0.000 1.024 225 N CA 1.672 54.642 53.050 -0.133 0.000 0.852 225 N CB -0.545 37.880 38.487 -0.104 0.000 1.003 225 N HN 0.140 nan 8.380 nan 0.000 0.424 226 E N -0.236 119.778 120.200 -0.311 0.000 2.110 226 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 226 E C 2.072 178.498 176.600 -0.290 0.000 0.988 226 E CA 1.162 57.284 56.400 -0.464 0.000 0.804 226 E CB -0.149 28.970 29.700 -0.968 0.000 0.745 226 E HN 0.543 nan 8.360 nan 0.000 0.458 227 M N -0.129 119.310 119.600 -0.269 0.000 2.086 227 M HA -0.092 4.387 4.480 -0.001 0.000 0.261 227 M C 2.329 178.609 176.300 -0.032 0.000 1.067 227 M CA 1.685 56.943 55.300 -0.071 0.000 1.116 227 M CB -1.337 31.124 32.600 -0.232 0.000 1.348 227 M HN 0.250 nan 8.290 nan 0.000 0.407 228 A N -0.227 122.547 122.820 -0.076 0.000 1.908 228 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 228 A C 2.305 179.877 177.584 -0.020 0.000 1.181 228 A CA 2.366 54.378 52.037 -0.042 0.000 0.627 228 A CB -1.190 17.780 19.000 -0.050 0.000 0.818 228 A HN 0.509 nan 8.150 nan 0.000 0.445 229 T N 0.109 114.646 114.554 -0.029 0.000 2.833 229 T HA 0.027 4.377 4.350 -0.001 0.000 0.269 229 T C 2.107 176.832 174.700 0.041 0.000 1.054 229 T CA 1.413 63.510 62.100 -0.006 0.000 1.135 229 T CB -0.320 68.532 68.868 -0.027 0.000 0.869 229 T HN 0.594 nan 8.240 nan 0.000 0.466 230 A N 0.977 123.850 122.820 0.088 0.000 1.968 230 A HA 0.394 4.713 4.320 -0.001 0.000 0.217 230 A C 2.474 180.098 177.584 0.066 0.000 1.169 230 A CA 1.342 53.456 52.037 0.129 0.000 0.638 230 A CB -0.641 18.503 19.000 0.240 0.000 0.812 230 A HN 0.483 nan 8.150 nan 0.000 0.446 231 A N -0.977 121.867 122.820 0.040 0.000 2.072 231 A HA 0.159 4.479 4.320 -0.001 0.000 0.216 231 A C 2.222 179.814 177.584 0.013 0.000 1.156 231 A CA 1.468 53.515 52.037 0.017 0.000 0.701 231 A CB -0.302 18.701 19.000 0.004 0.000 0.816 231 A HN 0.391 nan 8.150 nan 0.000 0.458 232 S N -0.500 115.208 115.700 0.014 0.000 2.421 232 S HA 0.100 4.569 4.470 -0.001 0.000 0.224 232 S C 1.143 175.751 174.600 0.014 0.000 1.035 232 S CA 0.717 58.922 58.200 0.009 0.000 0.953 232 S CB -0.063 63.138 63.200 0.002 0.000 0.810 232 S HN 0.836 nan 8.310 nan 0.000 0.497 233 S N 0.416 116.129 115.700 0.023 0.000 2.880 233 S HA 0.505 4.975 4.470 -0.001 0.000 0.308 233 S C -0.017 174.607 174.600 0.039 0.000 1.195 233 S CA -0.013 58.202 58.200 0.026 0.000 0.866 233 S CB 1.281 64.494 63.200 0.022 0.000 1.254 233 S HN 0.198 nan 8.310 nan 0.000 0.571 234 S N -0.278 115.446 115.700 0.040 0.000 2.749 234 S HA 0.204 4.673 4.470 -0.001 0.000 0.246 234 S C 1.242 175.876 174.600 0.057 0.000 1.023 234 S CA 0.349 58.580 58.200 0.052 0.000 1.012 234 S CB -0.431 62.796 63.200 0.044 0.000 0.942 234 S HN 1.122 nan 8.310 nan 0.000 0.531 235 S N 0.964 116.696 115.700 0.052 0.000 2.537 235 S HA 0.081 4.551 4.470 -0.001 0.000 0.240 235 S C 1.133 175.774 174.600 0.069 0.000 0.981 235 S CA 0.385 58.613 58.200 0.047 0.000 0.948 235 S CB -0.430 62.787 63.200 0.030 0.000 0.759 235 S HN 0.413 nan 8.310 nan 0.000 0.531 236 L N 0.902 122.191 121.223 0.110 0.000 2.731 236 L HA 0.420 4.759 4.340 -0.001 0.000 0.240 236 L C 0.615 177.589 176.870 0.174 0.000 1.120 236 L CA 0.118 55.063 54.840 0.176 0.000 0.913 236 L CB -0.354 41.879 42.059 0.289 0.000 1.213 236 L HN 0.179 nan 8.230 nan 0.000 0.515 237 E N 0.991 121.265 120.200 0.123 0.000 2.422 237 E HA 0.215 4.565 4.350 -0.001 0.000 0.260 237 E C -0.159 176.504 176.600 0.106 0.000 1.108 237 E CA 0.222 56.687 56.400 0.108 0.000 0.943 237 E CB 0.876 30.627 29.700 0.084 0.000 0.961 237 E HN -0.193 nan 8.360 nan 0.000 0.443 238 K N -0.100 120.362 120.400 0.104 0.000 2.543 238 K HA 0.278 4.597 4.320 -0.001 0.000 0.255 238 K C -1.288 175.375 176.600 0.105 0.000 0.934 238 K CA -0.296 56.053 56.287 0.103 0.000 0.810 238 K CB 1.891 34.464 32.500 0.122 0.000 1.315 238 K HN 0.299 nan 8.250 nan 0.000 0.433 239 S N 1.981 117.737 115.700 0.095 0.000 2.585 239 S HA 0.468 4.937 4.470 -0.001 0.000 0.277 239 S C -1.367 173.317 174.600 0.140 0.000 1.241 239 S CA -0.449 57.807 58.200 0.093 0.000 1.041 239 S CB 0.458 63.690 63.200 0.053 0.000 0.987 239 S HN 0.472 nan 8.310 nan 0.000 0.512 240 Y N 1.473 121.765 120.300 -0.014 0.000 2.386 240 Y HA 0.333 4.882 4.550 -0.001 0.000 0.334 240 Y C -0.511 175.374 175.900 -0.025 0.000 1.002 240 Y CA -0.551 57.537 58.100 -0.020 0.000 1.068 240 Y CB 1.085 39.525 38.460 -0.034 0.000 1.203 240 Y HN 0.663 nan 8.280 nan 0.000 0.443 241 E N 5.925 125.781 120.200 -0.573 0.000 2.130 241 E HA 0.288 4.637 4.350 -0.001 0.000 0.284 241 E C -1.185 175.140 176.600 -0.460 0.000 1.018 241 E CA -0.661 55.509 56.400 -0.383 0.000 0.817 241 E CB 0.718 30.254 29.700 -0.274 0.000 1.078 241 E HN 0.643 nan 8.360 nan 0.000 0.396 242 L N 6.354 127.492 121.223 -0.142 0.000 2.472 242 L HA 0.135 4.475 4.340 -0.001 0.000 0.260 242 L C -1.506 175.340 176.870 -0.040 0.000 1.209 242 L CA -1.345 53.496 54.840 0.002 0.000 0.817 242 L CB -0.008 42.093 42.059 0.071 0.000 1.106 242 L HN 0.576 nan 8.230 nan 0.000 0.479 243 P HA -0.153 nan 4.420 nan 0.000 0.218 243 P C 0.393 177.687 177.300 -0.010 0.000 1.146 243 P CA 1.170 64.269 63.100 -0.002 0.000 0.813 243 P CB 0.076 31.794 31.700 0.030 0.000 0.778 244 D N -2.448 117.950 120.400 -0.003 0.000 2.340 244 D HA 0.104 4.743 4.640 -0.001 0.000 0.220 244 D C 1.471 177.760 176.300 -0.017 0.000 1.039 244 D CA 0.582 54.577 54.000 -0.008 0.000 0.866 244 D CB -0.697 40.101 40.800 -0.003 0.000 0.913 244 D HN 0.224 nan 8.370 nan 0.000 0.523 245 G N 0.141 108.923 108.800 -0.030 0.000 2.284 245 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.230 245 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.230 245 G C 0.201 175.080 174.900 -0.034 0.000 1.021 245 G CA 0.122 45.200 45.100 -0.037 0.000 0.619 245 G HN 0.666 nan 8.290 nan 0.000 0.510 246 Q N 0.817 120.604 119.800 -0.022 0.000 2.333 246 Q HA 0.368 4.707 4.340 -0.001 0.000 0.299 246 Q C -0.343 175.643 176.000 -0.024 0.000 1.067 246 Q CA 0.435 56.230 55.803 -0.014 0.000 0.943 246 Q CB 0.591 29.324 28.738 -0.009 0.000 1.233 246 Q HN 0.418 nan 8.270 nan 0.000 0.401 247 V N 7.059 126.966 119.914 -0.013 0.000 2.378 247 V HA 0.396 4.515 4.120 -0.001 0.000 0.288 247 V C 0.132 176.226 176.094 0.000 0.000 1.016 247 V CA -0.580 61.712 62.300 -0.013 0.000 0.840 247 V CB 0.859 32.677 31.823 -0.008 0.000 0.994 247 V HN 0.749 nan 8.190 nan 0.000 0.431 248 I N 2.207 122.761 120.570 -0.026 0.000 2.982 248 I HA 0.919 5.088 4.170 -0.001 0.000 0.312 248 I C 0.083 176.207 176.117 0.011 0.000 1.041 248 I CA -0.527 60.709 61.300 -0.105 0.000 1.053 248 I CB 2.605 40.244 38.000 -0.601 0.000 1.248 248 I HN 0.592 nan 8.210 nan 0.000 0.471 249 T N 1.694 116.298 114.554 0.083 0.000 2.807 249 T HA 0.637 4.986 4.350 -0.001 0.000 0.279 249 T C -0.387 174.390 174.700 0.129 0.000 0.993 249 T CA -0.636 61.534 62.100 0.117 0.000 0.970 249 T CB 1.521 70.468 68.868 0.132 0.000 0.950 249 T HN 0.417 nan 8.240 nan 0.000 0.441 250 I N 3.184 123.808 120.570 0.090 0.000 2.330 250 I HA 0.483 4.653 4.170 -0.001 0.000 0.289 250 I C 0.984 177.137 176.117 0.060 0.000 1.001 250 I CA -0.410 60.925 61.300 0.058 0.000 1.193 250 I CB 0.575 38.580 38.000 0.008 0.000 1.345 250 I HN 0.984 nan 8.210 nan 0.000 0.461 251 G N 5.510 114.329 108.800 0.031 0.000 3.223 251 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.198 251 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.198 251 G C 0.894 175.735 174.900 -0.097 0.000 1.980 251 G CA 0.109 45.221 45.100 0.020 0.000 0.828 251 G HN 0.587 nan 8.290 nan 0.000 0.680 252 N N 1.567 120.140 118.700 -0.211 0.000 2.520 252 N HA -0.096 4.644 4.740 -0.001 0.000 0.185 252 N C 1.548 176.544 175.510 -0.856 0.000 1.068 252 N CA 1.588 54.227 53.050 -0.685 0.000 0.911 252 N CB -0.293 37.953 38.487 -0.402 0.000 0.961 252 N HN 0.550 nan 8.380 nan 0.000 0.446 253 E N 1.102 121.053 120.200 -0.414 0.000 2.347 253 E HA -0.113 4.237 4.350 -0.001 0.000 0.196 253 E C 1.448 177.867 176.600 -0.301 0.000 1.008 253 E CA 0.307 56.514 56.400 -0.321 0.000 0.852 253 E CB -0.371 29.210 29.700 -0.200 0.000 0.783 253 E HN 0.483 nan 8.360 nan 0.000 0.505 254 R N 0.439 120.755 120.500 -0.307 0.000 2.091 254 R HA -0.111 4.228 4.340 -0.001 0.000 0.238 254 R C 2.237 178.396 176.300 -0.235 0.000 1.136 254 R CA 2.109 58.119 56.100 -0.149 0.000 0.959 254 R CB -0.484 29.856 30.300 0.067 0.000 0.856 254 R HN 0.385 nan 8.270 nan 0.000 0.437 255 F N -1.379 118.383 119.950 -0.313 0.000 2.678 255 F HA 0.352 4.878 4.527 -0.001 0.000 0.291 255 F C 1.945 177.762 175.800 0.028 0.000 1.123 255 F CA -0.459 57.333 58.000 -0.347 0.000 1.395 255 F CB -0.217 38.433 39.000 -0.583 0.000 1.121 255 F HN -0.308 nan 8.300 nan 0.000 0.592 256 R N 0.442 120.867 120.500 -0.124 0.000 2.096 256 R HA -0.150 4.189 4.340 -0.001 0.000 0.235 256 R C 2.396 178.889 176.300 0.322 0.000 1.127 256 R CA 1.501 57.759 56.100 0.262 0.000 0.968 256 R CB -1.019 29.329 30.300 0.080 0.000 0.861 256 R HN 0.579 nan 8.270 nan 0.000 0.440 257 C N 1.260 120.647 119.300 0.146 0.000 2.413 257 C HA -0.036 4.423 4.460 -0.001 0.000 0.278 257 C C -0.631 174.398 174.990 0.065 0.000 1.224 257 C CA 0.771 59.920 59.018 0.218 0.000 1.732 257 C CB -1.081 26.698 27.740 0.065 0.000 2.050 257 C HN 0.246 nan 8.230 nan 0.000 0.463 258 P HA -0.067 nan 4.420 nan 0.000 0.221 258 P C 1.330 178.528 177.300 -0.171 0.000 1.150 258 P CA 1.581 64.436 63.100 -0.409 0.000 0.800 258 P CB -0.258 31.061 31.700 -0.635 0.000 0.787 259 E N -0.310 119.857 120.200 -0.056 0.000 2.273 259 E HA -0.161 4.189 4.350 -0.001 0.000 0.198 259 E C 1.468 177.842 176.600 -0.378 0.000 1.002 259 E CA 1.580 57.879 56.400 -0.168 0.000 0.828 259 E CB -1.368 28.131 29.700 -0.335 0.000 0.747 259 E HN 0.130 nan 8.360 nan 0.000 0.491 260 T N 0.593 114.950 114.554 -0.329 0.000 2.803 260 T HA -0.144 4.205 4.350 -0.001 0.000 0.269 260 T C 1.714 176.197 174.700 -0.361 0.000 1.052 260 T CA 1.229 63.069 62.100 -0.434 0.000 1.136 260 T CB -0.212 68.451 68.868 -0.342 0.000 0.864 260 T HN 0.182 nan 8.240 nan 0.000 0.467 261 L N -0.512 120.522 121.223 -0.314 0.000 2.083 261 L HA -0.023 4.316 4.340 -0.001 0.000 0.209 261 L C 1.978 178.554 176.870 -0.491 0.000 1.083 261 L CA 1.383 55.980 54.840 -0.406 0.000 0.752 261 L CB -0.454 41.300 42.059 -0.509 0.000 0.899 261 L HN 0.263 nan 8.230 nan 0.000 0.433 262 F N -1.061 118.747 119.950 -0.237 0.000 2.698 262 F HA 0.072 4.599 4.527 -0.001 0.000 0.295 262 F C 0.966 176.643 175.800 -0.206 0.000 1.124 262 F CA 0.232 58.135 58.000 -0.161 0.000 1.426 262 F CB 0.214 39.017 39.000 -0.329 0.000 1.120 262 F HN 0.015 nan 8.300 nan 0.000 0.583 263 Q N 0.248 119.867 119.800 -0.301 0.000 3.090 263 Q HA 0.194 4.533 4.340 -0.001 0.000 0.241 263 Q C -2.181 173.542 176.000 -0.462 0.000 0.958 263 Q CA -1.550 53.981 55.803 -0.453 0.000 0.715 263 Q CB 1.367 29.570 28.738 -0.892 0.000 1.298 263 Q HN 0.005 nan 8.270 nan 0.000 0.468 264 P HA -0.195 nan 4.420 nan 0.000 0.223 264 P C 1.300 178.513 177.300 -0.145 0.000 1.144 264 P CA 1.243 64.219 63.100 -0.207 0.000 0.783 264 P CB 0.247 31.855 31.700 -0.152 0.000 0.771 265 S N -2.078 113.560 115.700 -0.104 0.000 2.474 265 S HA -0.129 4.340 4.470 -0.001 0.000 0.235 265 S C 1.623 176.301 174.600 0.130 0.000 0.997 265 S CA 0.675 58.882 58.200 0.010 0.000 0.949 265 S CB -1.434 61.794 63.200 0.047 0.000 0.766 265 S HN -0.042 nan 8.310 nan 0.000 0.517 266 F N 2.591 122.421 119.950 -0.200 0.000 2.333 266 F HA 0.188 4.714 4.527 -0.001 0.000 0.300 266 F C 1.734 177.340 175.800 -0.323 0.000 1.083 266 F CA -0.268 57.572 58.000 -0.266 0.000 1.395 266 F CB -0.534 38.197 39.000 -0.448 0.000 1.056 266 F HN 0.406 nan 8.300 nan 0.000 0.529 267 I N -3.779 116.723 120.570 -0.114 0.000 3.856 267 I HA 0.538 4.708 4.170 -0.001 0.000 0.330 267 I C 1.218 177.311 176.117 -0.041 0.000 1.546 267 I CA 0.304 61.539 61.300 -0.109 0.000 1.132 267 I CB -0.053 37.847 38.000 -0.167 0.000 1.157 267 I HN 0.075 nan 8.210 nan 0.000 0.440 268 G N 1.954 110.745 108.800 -0.015 0.000 2.160 268 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.251 268 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.251 268 G C -0.009 174.876 174.900 -0.025 0.000 1.008 268 G CA 0.167 45.262 45.100 -0.009 0.000 0.724 268 G HN 0.477 nan 8.290 nan 0.000 0.514 269 M N 0.695 120.269 119.600 -0.043 0.000 2.129 269 M HA 0.324 4.803 4.480 -0.001 0.000 0.348 269 M C -0.258 176.012 176.300 -0.049 0.000 1.116 269 M CA -0.487 54.781 55.300 -0.054 0.000 1.022 269 M CB 1.270 33.823 32.600 -0.078 0.000 1.599 269 M HN -0.075 nan 8.290 nan 0.000 0.449 270 E N 3.317 123.493 120.200 -0.039 0.000 2.127 270 E HA 0.237 4.586 4.350 -0.001 0.000 0.262 270 E C -0.650 175.923 176.600 -0.044 0.000 1.144 270 E CA -0.169 56.211 56.400 -0.034 0.000 1.144 270 E CB 0.147 29.835 29.700 -0.021 0.000 1.297 270 E HN 0.659 nan 8.360 nan 0.000 0.469 271 S N -0.933 114.731 115.700 -0.059 0.000 2.588 271 S HA 0.770 5.239 4.470 -0.001 0.000 0.275 271 S C -0.084 174.467 174.600 -0.081 0.000 1.130 271 S CA -0.971 57.188 58.200 -0.069 0.000 0.855 271 S CB 1.864 65.016 63.200 -0.080 0.000 1.116 271 S HN 0.255 nan 8.310 nan 0.000 0.472 272 A N 0.967 123.735 122.820 -0.087 0.000 2.483 272 A HA 0.601 4.921 4.320 -0.001 0.000 0.238 272 A C 0.925 178.430 177.584 -0.131 0.000 1.070 272 A CA 0.184 52.156 52.037 -0.109 0.000 0.770 272 A CB -0.791 18.140 19.000 -0.115 0.000 1.008 272 A HN 1.462 nan 8.150 nan 0.000 0.497 273 G N -0.019 108.701 108.800 -0.133 0.000 2.616 273 G HA2 0.397 4.356 3.960 -0.001 0.000 0.268 273 G HA3 0.397 4.356 3.960 -0.001 0.000 0.268 273 G C 1.028 175.841 174.900 -0.145 0.000 1.213 273 G CA -0.074 44.972 45.100 -0.090 0.000 0.926 273 G HN 1.208 nan 8.290 nan 0.000 0.523 274 I N -1.649 118.802 120.570 -0.198 0.000 2.567 274 I HA -0.145 4.025 4.170 -0.001 0.000 0.257 274 I C 2.165 178.260 176.117 -0.037 0.000 1.184 274 I CA 1.527 62.705 61.300 -0.203 0.000 1.451 274 I CB -0.530 37.252 38.000 -0.364 0.000 1.089 274 I HN 0.607 nan 8.210 nan 0.000 0.441 275 H N 1.508 120.561 119.070 -0.028 0.000 2.395 275 H HA 0.020 4.576 4.556 -0.001 0.000 0.299 275 H C 1.467 176.861 175.328 0.110 0.000 1.070 275 H CA 1.460 57.583 56.048 0.126 0.000 1.356 275 H CB -0.802 29.114 29.762 0.257 0.000 1.401 275 H HN 0.525 nan 8.280 nan 0.000 0.524 276 E N 0.738 120.613 120.200 -0.542 0.000 2.158 276 E HA -0.077 4.272 4.350 -0.001 0.000 0.191 276 E C 2.330 178.880 176.600 -0.082 0.000 0.982 276 E CA 1.455 57.691 56.400 -0.273 0.000 0.823 276 E CB 0.091 29.565 29.700 -0.377 0.000 0.766 276 E HN 0.713 nan 8.360 nan 0.000 0.468 277 T N -0.965 113.523 114.554 -0.111 0.000 2.746 277 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 277 T C 2.105 176.781 174.700 -0.040 0.000 1.039 277 T CA 1.599 63.651 62.100 -0.079 0.000 1.142 277 T CB -0.641 68.168 68.868 -0.099 0.000 0.866 277 T HN -0.043 nan 8.240 nan 0.000 0.444 278 T N 0.869 115.422 114.554 -0.003 0.000 2.708 278 T HA -0.063 4.286 4.350 -0.001 0.000 0.266 278 T C 1.528 176.267 174.700 0.065 0.000 1.037 278 T CA 1.419 63.536 62.100 0.028 0.000 1.146 278 T CB -0.631 68.282 68.868 0.076 0.000 0.865 278 T HN 0.472 nan 8.240 nan 0.000 0.435 279 Y N 2.360 122.643 120.300 -0.028 0.000 2.181 279 Y HA -0.108 4.442 4.550 -0.001 0.000 0.288 279 Y C 2.063 177.938 175.900 -0.042 0.000 1.146 279 Y CA 1.037 59.133 58.100 -0.005 0.000 1.164 279 Y CB -0.864 37.613 38.460 0.029 0.000 0.982 279 Y HN 0.284 nan 8.280 nan 0.000 0.515 280 N N -1.128 117.496 118.700 -0.127 0.000 2.120 280 N HA -0.214 4.526 4.740 -0.001 0.000 0.188 280 N C 2.089 177.486 175.510 -0.189 0.000 1.024 280 N CA 1.148 54.072 53.050 -0.211 0.000 0.852 280 N CB -0.329 38.089 38.487 -0.114 0.000 1.003 280 N HN 0.264 nan 8.380 nan 0.000 0.424 281 S N 1.019 116.637 115.700 -0.137 0.000 2.356 281 S HA -0.061 4.409 4.470 -0.001 0.000 0.223 281 S C 1.899 176.398 174.600 -0.168 0.000 1.032 281 S CA 0.849 58.969 58.200 -0.133 0.000 1.005 281 S CB -0.232 62.906 63.200 -0.104 0.000 0.867 281 S HN 0.212 nan 8.310 nan 0.000 0.449 282 I N 1.304 121.752 120.570 -0.203 0.000 2.226 282 I HA -0.162 4.007 4.170 -0.001 0.000 0.245 282 I C 2.257 178.232 176.117 -0.237 0.000 1.100 282 I CA 1.002 62.144 61.300 -0.263 0.000 1.374 282 I CB -0.338 37.404 38.000 -0.430 0.000 1.057 282 I HN 0.347 nan 8.210 nan 0.000 0.413 283 M N 0.207 119.637 119.600 -0.284 0.000 2.460 283 M HA -0.115 4.364 4.480 -0.001 0.000 0.263 283 M C 1.760 177.973 176.300 -0.145 0.000 1.071 283 M CA 1.294 56.447 55.300 -0.246 0.000 1.096 283 M CB -0.922 31.446 32.600 -0.387 0.000 1.408 283 M HN 0.089 nan 8.290 nan 0.000 0.463 284 K N -0.392 119.933 120.400 -0.125 0.000 2.459 284 K HA 0.083 4.402 4.320 -0.001 0.000 0.193 284 K C 0.383 176.979 176.600 -0.007 0.000 1.030 284 K CA 0.169 56.427 56.287 -0.049 0.000 1.026 284 K CB -0.248 32.223 32.500 -0.047 0.000 0.809 284 K HN 0.328 nan 8.250 nan 0.000 0.504 285 C N 1.535 120.801 119.300 -0.057 0.000 2.358 285 C HA 0.304 4.763 4.460 -0.001 0.000 0.354 285 C C 0.285 175.255 174.990 -0.034 0.000 1.183 285 C CA -1.318 57.679 59.018 -0.036 0.000 2.150 285 C CB 1.006 28.697 27.740 -0.083 0.000 2.361 285 C HN 0.348 nan 8.230 nan 0.000 0.535 286 D N 1.271 121.653 120.400 -0.030 0.000 2.506 286 D HA 0.027 4.666 4.640 -0.001 0.000 0.234 286 D C 1.459 177.738 176.300 -0.035 0.000 1.143 286 D CA 0.128 54.106 54.000 -0.036 0.000 0.871 286 D CB 0.389 41.157 40.800 -0.054 0.000 1.190 286 D HN 0.585 nan 8.370 nan 0.000 0.459 287 I N -0.112 120.450 120.570 -0.014 0.000 2.248 287 I HA -0.276 3.894 4.170 -0.001 0.000 0.248 287 I C 1.389 177.514 176.117 0.014 0.000 1.107 287 I CA 1.502 62.807 61.300 0.009 0.000 1.373 287 I CB -0.339 37.671 38.000 0.018 0.000 1.055 287 I HN 0.253 nan 8.210 nan 0.000 0.418 288 D N 2.364 122.760 120.400 -0.006 0.000 2.371 288 D HA -0.165 4.474 4.640 -0.001 0.000 0.221 288 D C 1.845 178.139 176.300 -0.010 0.000 0.986 288 D CA 1.446 55.445 54.000 -0.002 0.000 0.899 288 D CB -0.305 40.489 40.800 -0.011 0.000 0.902 288 D HN 0.805 nan 8.370 nan 0.000 0.530 289 I N -3.648 116.894 120.570 -0.045 0.000 4.227 289 I HA 0.255 4.424 4.170 -0.001 0.000 0.334 289 I C 1.961 178.082 176.117 0.006 0.000 1.341 289 I CA -0.649 60.622 61.300 -0.048 0.000 1.123 289 I CB 0.229 38.085 38.000 -0.240 0.000 1.097 289 I HN -0.310 nan 8.210 nan 0.000 0.399 290 R N 2.991 123.493 120.500 0.004 0.000 2.139 290 R HA -0.164 4.175 4.340 -0.001 0.000 0.243 290 R C 2.140 178.504 176.300 0.107 0.000 1.145 290 R CA 2.136 58.227 56.100 -0.014 0.000 0.976 290 R CB -0.535 29.781 30.300 0.026 0.000 0.866 290 R HN 0.598 nan 8.270 nan 0.000 0.449 291 K N 0.501 121.013 120.400 0.187 0.000 2.147 291 K HA -0.141 4.178 4.320 -0.001 0.000 0.205 291 K C 0.752 177.464 176.600 0.187 0.000 1.049 291 K CA 1.735 58.164 56.287 0.236 0.000 0.936 291 K CB -0.023 32.569 32.500 0.153 0.000 0.722 291 K HN 0.071 nan 8.250 nan 0.000 0.446 292 D N 0.292 120.775 120.400 0.139 0.000 2.349 292 D HA 0.011 4.650 4.640 -0.001 0.000 0.224 292 D C 1.328 177.692 176.300 0.106 0.000 1.029 292 D CA 0.376 54.456 54.000 0.134 0.000 0.879 292 D CB 0.383 41.288 40.800 0.175 0.000 0.906 292 D HN 0.153 nan 8.370 nan 0.000 0.528 293 L N -0.817 120.441 121.223 0.059 0.000 2.349 293 L HA 0.041 4.380 4.340 -0.001 0.000 0.200 293 L C 1.831 178.714 176.870 0.022 0.000 1.064 293 L CA 0.752 55.583 54.840 -0.015 0.000 0.821 293 L CB -1.131 40.841 42.059 -0.144 0.000 1.027 293 L HN -0.045 nan 8.230 nan 0.000 0.476 294 Y N 0.430 120.770 120.300 0.066 0.000 2.207 294 Y HA -0.149 4.400 4.550 -0.001 0.000 0.287 294 Y C 2.260 178.194 175.900 0.057 0.000 1.156 294 Y CA 1.185 59.325 58.100 0.066 0.000 1.182 294 Y CB -0.667 37.833 38.460 0.068 0.000 0.979 294 Y HN 0.171 nan 8.280 nan 0.000 0.521 295 A N -0.877 122.074 122.820 0.218 0.000 2.337 295 A HA 0.171 4.490 4.320 -0.001 0.000 0.227 295 A C 0.474 178.119 177.584 0.102 0.000 1.259 295 A CA 0.072 52.192 52.037 0.138 0.000 0.870 295 A CB -0.330 18.738 19.000 0.115 0.000 0.927 295 A HN 0.378 nan 8.150 nan 0.000 0.497 296 N N 0.437 119.195 118.700 0.097 0.000 2.620 296 N HA 0.028 4.767 4.740 -0.001 0.000 0.277 296 N C -1.188 174.359 175.510 0.062 0.000 1.726 296 N CA -0.129 52.964 53.050 0.071 0.000 0.840 296 N CB 0.169 38.694 38.487 0.064 0.000 1.379 296 N HN 0.525 nan 8.380 nan 0.000 0.506 297 N N 1.266 120.010 118.700 0.073 0.000 2.482 297 N HA 0.154 4.893 4.740 -0.001 0.000 0.242 297 N C -0.621 174.922 175.510 0.055 0.000 1.100 297 N CA -0.202 52.886 53.050 0.064 0.000 0.946 297 N CB 0.726 39.269 38.487 0.092 0.000 1.227 297 N HN -0.114 nan 8.380 nan 0.000 0.508 298 V N 4.775 124.713 119.914 0.040 0.000 2.465 298 V HA 0.255 4.375 4.120 -0.001 0.000 0.279 298 V C 0.461 176.574 176.094 0.031 0.000 1.045 298 V CA -0.202 62.120 62.300 0.036 0.000 0.938 298 V CB 1.341 33.181 31.823 0.028 0.000 0.986 298 V HN 0.673 nan 8.190 nan 0.000 0.467 299 M N 4.903 124.525 119.600 0.036 0.000 2.268 299 M HA 0.554 5.033 4.480 -0.001 0.000 0.344 299 M C -0.161 176.155 176.300 0.027 0.000 1.106 299 M CA -0.025 55.295 55.300 0.034 0.000 1.010 299 M CB 1.880 34.509 32.600 0.048 0.000 1.649 299 M HN 0.849 nan 8.290 nan 0.000 0.443 300 S N 1.731 117.444 115.700 0.020 0.000 2.651 300 S HA 1.011 5.480 4.470 -0.001 0.000 0.279 300 S C -0.373 174.234 174.600 0.012 0.000 1.148 300 S CA -0.274 57.936 58.200 0.017 0.000 0.837 300 S CB 2.109 65.322 63.200 0.021 0.000 1.138 300 S HN 1.261 nan 8.310 nan 0.000 0.478 301 G N -0.399 108.403 108.800 0.004 0.000 2.629 301 G HA2 0.346 4.306 3.960 -0.001 0.000 0.686 301 G HA3 0.346 4.306 3.960 -0.001 0.000 0.686 301 G C 0.626 175.503 174.900 -0.038 0.000 1.232 301 G CA -0.087 45.012 45.100 -0.002 0.000 0.803 301 G HN 1.720 nan 8.290 nan 0.000 0.638 302 G N -0.905 107.863 108.800 -0.053 0.000 2.432 302 G HA2 0.074 4.033 3.960 -0.001 0.000 0.219 302 G HA3 0.074 4.033 3.960 -0.001 0.000 0.219 302 G C 1.603 176.453 174.900 -0.083 0.000 1.135 302 G CA 2.172 47.213 45.100 -0.097 0.000 0.767 302 G HN 1.339 nan 8.290 nan 0.000 0.550 303 T N 0.605 115.155 114.554 -0.007 0.000 3.148 303 T HA 0.059 4.408 4.350 -0.001 0.000 0.253 303 T C 2.124 176.925 174.700 0.168 0.000 1.134 303 T CA 1.323 63.479 62.100 0.094 0.000 1.051 303 T CB -0.098 68.839 68.868 0.114 0.000 0.959 303 T HN 0.508 nan 8.240 nan 0.000 0.525 304 T N -1.365 113.232 114.554 0.072 0.000 3.176 304 T HA 0.271 4.621 4.350 -0.001 0.000 0.263 304 T C 1.530 176.272 174.700 0.069 0.000 1.021 304 T CA -0.354 61.809 62.100 0.105 0.000 0.905 304 T CB -0.173 68.728 68.868 0.055 0.000 1.057 304 T HN 0.030 nan 8.240 nan 0.000 0.558 305 M N 0.565 120.141 119.600 -0.040 0.000 2.558 305 M HA 0.268 4.748 4.480 -0.001 0.000 0.255 305 M C -0.329 175.910 176.300 -0.101 0.000 1.113 305 M CA -0.135 55.097 55.300 -0.113 0.000 1.097 305 M CB -0.953 31.520 32.600 -0.211 0.000 1.426 305 M HN 0.326 nan 8.290 nan 0.000 0.488 306 Y N 1.741 122.071 120.300 0.050 0.000 2.805 306 Y HA 0.009 4.558 4.550 -0.001 0.000 0.331 306 Y C -1.720 174.246 175.900 0.111 0.000 1.241 306 Y CA -1.415 56.739 58.100 0.091 0.000 1.546 306 Y CB -0.791 37.736 38.460 0.113 0.000 1.248 306 Y HN 0.100 nan 8.280 nan 0.000 0.559 307 P HA 0.081 nan 4.420 nan 0.000 0.269 307 P C 0.769 178.212 177.300 0.238 0.000 1.209 307 P CA 1.341 64.554 63.100 0.188 0.000 0.776 307 P CB 0.739 32.531 31.700 0.153 0.000 0.876 308 G N 2.243 111.138 108.800 0.158 0.000 2.212 308 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.266 308 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.266 308 G C 0.947 175.936 174.900 0.148 0.000 0.978 308 G CA 0.318 45.505 45.100 0.146 0.000 0.632 308 G HN 0.569 nan 8.290 nan 0.000 0.537 309 I N 0.743 121.432 120.570 0.198 0.000 2.315 309 I HA 0.078 4.248 4.170 -0.001 0.000 0.248 309 I C 2.883 179.115 176.117 0.192 0.000 1.117 309 I CA 2.063 63.502 61.300 0.233 0.000 1.404 309 I CB -0.254 37.913 38.000 0.279 0.000 1.071 309 I HN 0.346 nan 8.210 nan 0.000 0.419 310 A N 0.282 123.185 122.820 0.138 0.000 1.902 310 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 310 A C 1.898 179.532 177.584 0.083 0.000 1.181 310 A CA 2.035 54.137 52.037 0.109 0.000 0.623 310 A CB -0.637 18.412 19.000 0.082 0.000 0.818 310 A HN 0.443 nan 8.150 nan 0.000 0.443 311 D N -0.775 119.661 120.400 0.061 0.000 2.117 311 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 311 D C 2.112 178.410 176.300 -0.004 0.000 0.982 311 D CA 1.395 55.410 54.000 0.026 0.000 0.828 311 D CB -0.270 40.539 40.800 0.015 0.000 0.967 311 D HN 0.350 nan 8.370 nan 0.000 0.464 312 R N 0.341 120.827 120.500 -0.022 0.000 2.081 312 R HA -0.033 4.306 4.340 -0.001 0.000 0.235 312 R C 2.042 178.284 176.300 -0.095 0.000 1.131 312 R CA 1.033 57.040 56.100 -0.156 0.000 0.960 312 R CB -0.547 29.547 30.300 -0.343 0.000 0.856 312 R HN 0.050 nan 8.270 nan 0.000 0.436 313 M N 0.411 120.067 119.600 0.094 0.000 2.117 313 M HA -0.131 4.348 4.480 -0.001 0.000 0.262 313 M C 2.086 178.453 176.300 0.111 0.000 1.065 313 M CA 1.616 57.033 55.300 0.196 0.000 1.114 313 M CB -0.781 31.961 32.600 0.237 0.000 1.361 313 M HN 0.326 nan 8.290 nan 0.000 0.408 314 Q N 0.102 119.945 119.800 0.071 0.000 2.124 314 Q HA -0.219 4.120 4.340 -0.001 0.000 0.202 314 Q C 2.034 178.043 176.000 0.015 0.000 0.977 314 Q CA 1.575 57.407 55.803 0.049 0.000 0.850 314 Q CB -0.103 28.656 28.738 0.036 0.000 0.901 314 Q HN 0.511 nan 8.270 nan 0.000 0.429 315 K N 0.078 120.470 120.400 -0.014 0.000 2.001 315 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 315 K C 1.802 178.375 176.600 -0.045 0.000 1.048 315 K CA 1.161 57.422 56.287 -0.044 0.000 0.932 315 K CB 0.111 32.565 32.500 -0.077 0.000 0.715 315 K HN 0.023 nan 8.250 nan 0.000 0.437 316 E N 1.143 121.315 120.200 -0.046 0.000 2.038 316 E HA -0.199 4.151 4.350 -0.001 0.000 0.195 316 E C 2.100 178.715 176.600 0.026 0.000 1.000 316 E CA 1.019 57.412 56.400 -0.011 0.000 0.803 316 E CB -0.300 29.414 29.700 0.022 0.000 0.750 316 E HN 0.356 nan 8.360 nan 0.000 0.448 317 I N 1.363 121.973 120.570 0.067 0.000 2.264 317 I HA -0.201 3.968 4.170 -0.001 0.000 0.248 317 I C 2.190 178.281 176.117 -0.043 0.000 1.111 317 I CA 1.292 62.625 61.300 0.054 0.000 1.382 317 I CB -1.560 36.535 38.000 0.159 0.000 1.060 317 I HN 0.070 nan 8.210 nan 0.000 0.418 318 T N 1.089 115.616 114.554 -0.045 0.000 2.867 318 T HA -0.040 4.309 4.350 -0.001 0.000 0.268 318 T C 1.874 176.515 174.700 -0.098 0.000 1.057 318 T CA 1.277 63.327 62.100 -0.083 0.000 1.136 318 T CB -0.131 68.702 68.868 -0.058 0.000 0.874 318 T HN 0.461 nan 8.240 nan 0.000 0.466 319 A N 0.285 123.053 122.820 -0.087 0.000 2.167 319 A HA 0.273 4.592 4.320 -0.001 0.000 0.214 319 A C 2.031 179.535 177.584 -0.133 0.000 1.151 319 A CA 0.669 52.653 52.037 -0.087 0.000 0.735 319 A CB -0.337 18.625 19.000 -0.064 0.000 0.802 319 A HN 0.478 nan 8.150 nan 0.000 0.467 320 L N -1.584 119.508 121.223 -0.219 0.000 2.388 320 L HA 0.285 4.624 4.340 -0.001 0.000 0.209 320 L C 1.527 178.180 176.870 -0.361 0.000 1.061 320 L CA 0.278 54.858 54.840 -0.433 0.000 0.834 320 L CB -0.278 41.263 42.059 -0.864 0.000 1.029 320 L HN 0.319 nan 8.230 nan 0.000 0.473 321 A N 0.430 123.106 122.820 -0.240 0.000 2.296 321 A HA 0.458 4.777 4.320 -0.001 0.000 0.264 321 A C -2.233 175.269 177.584 -0.136 0.000 1.097 321 A CA -0.996 50.939 52.037 -0.170 0.000 0.811 321 A CB -0.556 18.101 19.000 -0.573 0.000 1.072 321 A HN -0.054 nan 8.150 nan 0.000 0.495 322 P HA 0.058 nan 4.420 nan 0.000 0.267 322 P C 0.926 178.169 177.300 -0.095 0.000 1.200 322 P CA 0.555 63.620 63.100 -0.059 0.000 0.772 322 P CB 0.731 32.416 31.700 -0.024 0.000 0.855 323 S N 0.518 116.182 115.700 -0.061 0.000 2.440 323 S HA -0.152 4.317 4.470 -0.001 0.000 0.238 323 S C 1.338 175.904 174.600 -0.057 0.000 1.010 323 S CA 1.697 59.862 58.200 -0.059 0.000 0.972 323 S CB -1.344 61.834 63.200 -0.037 0.000 0.774 323 S HN 0.596 nan 8.310 nan 0.000 0.501 324 T N -2.028 112.495 114.554 -0.051 0.000 3.122 324 T HA 0.437 4.786 4.350 -0.001 0.000 0.250 324 T C 0.179 174.848 174.700 -0.052 0.000 1.067 324 T CA -0.485 61.592 62.100 -0.039 0.000 0.966 324 T CB -0.330 68.527 68.868 -0.018 0.000 1.002 324 T HN 0.275 nan 8.240 nan 0.000 0.542 325 M N 2.471 122.009 119.600 -0.104 0.000 2.180 325 M HA 0.376 4.856 4.480 -0.001 0.000 0.358 325 M C -0.375 175.848 176.300 -0.127 0.000 1.233 325 M CA -0.447 54.763 55.300 -0.149 0.000 1.114 325 M CB 0.733 33.111 32.600 -0.370 0.000 1.594 325 M HN -0.079 nan 8.290 nan 0.000 0.467 326 K N 4.590 124.958 120.400 -0.054 0.000 2.285 326 K HA 0.384 4.703 4.320 -0.001 0.000 0.286 326 K C -1.233 175.373 176.600 0.010 0.000 1.072 326 K CA -0.241 56.036 56.287 -0.015 0.000 0.913 326 K CB 0.375 32.888 32.500 0.021 0.000 1.067 326 K HN 0.510 nan 8.250 nan 0.000 0.479 327 I N 4.038 124.608 120.570 0.000 0.000 2.321 327 I HA 0.187 4.356 4.170 -0.001 0.000 0.291 327 I C -0.379 175.778 176.117 0.067 0.000 0.998 327 I CA -0.173 61.160 61.300 0.055 0.000 1.227 327 I CB 1.185 39.201 38.000 0.027 0.000 1.368 327 I HN 0.315 nan 8.210 nan 0.000 0.466 328 K N 7.027 127.483 120.400 0.093 0.000 2.545 328 K HA 0.567 4.887 4.320 -0.001 0.000 0.252 328 K C -1.251 175.397 176.600 0.081 0.000 0.948 328 K CA -0.714 55.617 56.287 0.073 0.000 0.827 328 K CB 2.182 34.720 32.500 0.064 0.000 1.128 328 K HN 0.303 nan 8.250 nan 0.000 0.429 329 I N 3.911 124.524 120.570 0.072 0.000 2.353 329 I HA 0.292 4.462 4.170 -0.001 0.000 0.293 329 I C -0.127 176.026 176.117 0.059 0.000 0.992 329 I CA -0.913 60.431 61.300 0.073 0.000 1.268 329 I CB 0.948 38.995 38.000 0.078 0.000 1.387 329 I HN 0.512 nan 8.210 nan 0.000 0.478 330 I N 5.727 126.330 120.570 0.056 0.000 2.371 330 I HA 0.401 4.570 4.170 -0.001 0.000 0.282 330 I C 0.298 176.443 176.117 0.046 0.000 1.031 330 I CA -0.112 61.216 61.300 0.047 0.000 1.180 330 I CB 1.402 39.429 38.000 0.044 0.000 1.336 330 I HN 0.636 nan 8.210 nan 0.000 0.467 331 A N 7.856 130.703 122.820 0.044 0.000 2.842 331 A HA 0.767 5.086 4.320 -0.001 0.000 0.339 331 A C -2.472 175.131 177.584 0.033 0.000 1.177 331 A CA -1.238 50.824 52.037 0.041 0.000 0.797 331 A CB -0.365 18.666 19.000 0.051 0.000 1.094 331 A HN 0.402 nan 8.150 nan 0.000 0.474 332 P HA 0.119 nan 4.420 nan 0.000 0.270 332 P C -1.692 175.618 177.300 0.016 0.000 1.227 332 P CA -0.912 62.204 63.100 0.026 0.000 0.788 332 P CB 0.596 32.315 31.700 0.032 0.000 0.926 333 P HA -0.099 nan 4.420 nan 0.000 0.225 333 P C 0.194 177.486 177.300 -0.013 0.000 1.156 333 P CA 1.355 64.456 63.100 0.002 0.000 0.787 333 P CB 0.173 31.878 31.700 0.008 0.000 0.802 334 E N -0.025 120.177 120.200 0.004 0.000 2.496 334 E HA 0.068 4.418 4.350 -0.001 0.000 0.200 334 E C 1.599 178.195 176.600 -0.006 0.000 1.016 334 E CA -0.274 56.127 56.400 0.001 0.000 0.962 334 E CB -0.727 29.012 29.700 0.066 0.000 1.071 334 E HN 0.307 nan 8.360 nan 0.000 0.457 335 R N 1.316 121.806 120.500 -0.018 0.000 2.249 335 R HA -0.102 4.237 4.340 -0.001 0.000 0.230 335 R C 1.820 178.092 176.300 -0.047 0.000 1.121 335 R CA 1.191 57.287 56.100 -0.007 0.000 0.997 335 R CB -0.361 29.939 30.300 -0.001 0.000 0.867 335 R HN 0.113 nan 8.270 nan 0.000 0.465 336 K N 0.554 120.853 120.400 -0.167 0.000 2.152 336 K HA -0.171 4.149 4.320 -0.001 0.000 0.206 336 K C 0.204 176.651 176.600 -0.255 0.000 1.048 336 K CA 1.314 57.409 56.287 -0.320 0.000 0.933 336 K CB 0.073 32.201 32.500 -0.620 0.000 0.721 336 K HN 0.332 nan 8.250 nan 0.000 0.447 337 Y N -0.305 120.020 120.300 0.042 0.000 2.682 337 Y HA 0.280 4.829 4.550 -0.001 0.000 0.251 337 Y C 1.639 177.622 175.900 0.138 0.000 1.172 337 Y CA -0.671 57.482 58.100 0.089 0.000 1.186 337 Y CB 0.350 38.857 38.460 0.077 0.000 1.216 337 Y HN -0.041 nan 8.280 nan 0.000 0.540 338 S N -0.028 115.790 115.700 0.197 0.000 2.372 338 S HA -0.204 4.265 4.470 -0.001 0.000 0.227 338 S C 2.218 176.890 174.600 0.121 0.000 1.044 338 S CA 1.940 60.222 58.200 0.137 0.000 1.050 338 S CB -0.428 62.816 63.200 0.073 0.000 0.901 338 S HN 0.303 nan 8.310 nan 0.000 0.447 339 V N -0.095 119.890 119.914 0.118 0.000 2.255 339 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 339 V C 1.840 177.975 176.094 0.068 0.000 1.051 339 V CA 2.067 64.407 62.300 0.066 0.000 1.018 339 V CB -0.769 31.095 31.823 0.070 0.000 0.641 339 V HN 0.721 nan 8.190 nan 0.000 0.445 340 W N 0.439 121.750 121.300 0.018 0.000 2.338 340 W HA -0.198 4.461 4.660 -0.001 0.000 0.304 340 W C 2.231 178.742 176.519 -0.014 0.000 1.212 340 W CA 1.932 59.266 57.345 -0.018 0.000 1.264 340 W CB -0.220 29.206 29.460 -0.058 0.000 1.142 340 W HN 0.199 nan 8.180 nan 0.000 0.512 341 I N 0.309 121.004 120.570 0.208 0.000 2.286 341 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 341 I C 2.613 178.649 176.117 -0.135 0.000 1.115 341 I CA 1.528 62.871 61.300 0.072 0.000 1.392 341 I CB -1.196 36.935 38.000 0.218 0.000 1.065 341 I HN 0.166 nan 8.210 nan 0.000 0.418 342 G N 0.274 109.018 108.800 -0.093 0.000 2.443 342 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.219 342 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.219 342 G C 1.678 176.451 174.900 -0.212 0.000 1.131 342 G CA 0.762 45.807 45.100 -0.091 0.000 0.775 342 G HN 0.501 nan 8.290 nan 0.000 0.547 343 G N 0.238 108.831 108.800 -0.345 0.000 2.396 343 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.214 343 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.214 343 G C 2.014 176.599 174.900 -0.525 0.000 1.166 343 G CA 1.336 46.174 45.100 -0.437 0.000 0.793 343 G HN 0.447 nan 8.290 nan 0.000 0.533 344 S N 0.107 115.373 115.700 -0.723 0.000 2.368 344 S HA -0.048 4.421 4.470 -0.001 0.000 0.225 344 S C 2.380 176.795 174.600 -0.309 0.000 1.030 344 S CA 1.034 58.863 58.200 -0.620 0.000 0.999 344 S CB -0.254 62.443 63.200 -0.838 0.000 0.844 344 S HN 0.363 nan 8.310 nan 0.000 0.459 345 I N 0.823 121.237 120.570 -0.260 0.000 2.193 345 I HA -0.111 4.058 4.170 -0.001 0.000 0.240 345 I C 2.364 178.338 176.117 -0.238 0.000 1.084 345 I CA 0.907 62.101 61.300 -0.177 0.000 1.365 345 I CB -0.447 37.477 38.000 -0.127 0.000 1.064 345 I HN 0.326 nan 8.210 nan 0.000 0.410 346 L N 1.566 122.586 121.223 -0.339 0.000 2.042 346 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 346 L C 2.433 178.819 176.870 -0.807 0.000 1.076 346 L CA 2.160 56.661 54.840 -0.564 0.000 0.749 346 L CB -0.698 40.980 42.059 -0.635 0.000 0.893 346 L HN 0.191 nan 8.230 nan 0.000 0.432 347 A N -1.404 121.048 122.820 -0.614 0.000 2.119 347 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 347 A C 2.352 179.988 177.584 0.087 0.000 1.153 347 A CA 1.308 53.187 52.037 -0.265 0.000 0.692 347 A CB -0.765 18.219 19.000 -0.025 0.000 0.799 347 A HN 0.657 nan 8.150 nan 0.000 0.458 348 S N -0.732 114.951 115.700 -0.028 0.000 2.524 348 S HA 0.277 4.746 4.470 -0.001 0.000 0.216 348 S C 0.551 175.182 174.600 0.052 0.000 0.987 348 S CA -0.414 57.814 58.200 0.048 0.000 0.909 348 S CB -0.530 62.675 63.200 0.007 0.000 0.781 348 S HN 0.356 nan 8.310 nan 0.000 0.521 349 L N 3.240 124.468 121.223 0.009 0.000 2.453 349 L HA 0.168 4.508 4.340 -0.001 0.000 0.272 349 L C 1.899 178.830 176.870 0.101 0.000 1.182 349 L CA -0.068 54.786 54.840 0.024 0.000 0.858 349 L CB 0.522 42.562 42.059 -0.032 0.000 1.120 349 L HN 0.407 nan 8.230 nan 0.000 0.474 350 S N -0.029 115.711 115.700 0.067 0.000 2.402 350 S HA -0.167 4.302 4.470 -0.001 0.000 0.229 350 S C 1.648 176.289 174.600 0.069 0.000 1.021 350 S CA 1.211 59.455 58.200 0.074 0.000 0.974 350 S CB -0.581 62.645 63.200 0.044 0.000 0.800 350 S HN 0.859 nan 8.310 nan 0.000 0.484 351 T N -2.022 112.562 114.554 0.049 0.000 3.118 351 T HA 0.138 4.487 4.350 -0.001 0.000 0.260 351 T C 1.168 175.891 174.700 0.038 0.000 1.139 351 T CA 0.328 62.446 62.100 0.029 0.000 1.085 351 T CB -0.592 68.279 68.868 0.006 0.000 0.934 351 T HN 0.397 nan 8.240 nan 0.000 0.518 352 F N 1.802 121.684 119.950 -0.114 0.000 2.664 352 F HA 0.255 4.781 4.527 -0.001 0.000 0.296 352 F C 2.131 177.798 175.800 -0.222 0.000 1.125 352 F CA -0.012 57.847 58.000 -0.234 0.000 1.444 352 F CB -0.135 38.667 39.000 -0.329 0.000 1.114 352 F HN -0.043 nan 8.300 nan 0.000 0.576 353 Q N 0.463 120.246 119.800 -0.029 0.000 2.368 353 Q HA -0.204 4.136 4.340 -0.001 0.000 0.210 353 Q C 1.484 177.522 176.000 0.064 0.000 0.982 353 Q CA 1.258 57.151 55.803 0.151 0.000 0.884 353 Q CB -0.565 28.303 28.738 0.218 0.000 0.933 353 Q HN 0.603 nan 8.270 nan 0.000 0.460 354 Q N -1.164 118.573 119.800 -0.105 0.000 2.319 354 Q HA 0.154 4.494 4.340 -0.001 0.000 0.202 354 Q C 1.143 177.042 176.000 -0.168 0.000 0.896 354 Q CA -0.130 55.632 55.803 -0.069 0.000 0.942 354 Q CB 0.432 29.148 28.738 -0.036 0.000 1.083 354 Q HN 0.265 nan 8.270 nan 0.000 0.510 355 M N -1.134 118.170 119.600 -0.493 0.000 2.509 355 M HA 0.051 4.531 4.480 -0.001 0.000 0.250 355 M C -0.015 176.013 176.300 -0.454 0.000 1.132 355 M CA 0.307 55.262 55.300 -0.576 0.000 1.080 355 M CB -0.249 31.708 32.600 -1.072 0.000 1.408 355 M HN 0.125 nan 8.290 nan 0.000 0.484 356 W N 1.021 122.098 121.300 -0.372 0.000 2.079 356 W HA 0.205 4.864 4.660 -0.001 0.000 0.354 356 W C 0.221 176.771 176.519 0.052 0.000 1.302 356 W CA -0.279 57.001 57.345 -0.107 0.000 1.281 356 W CB 0.373 29.774 29.460 -0.099 0.000 1.165 356 W HN -0.090 nan 8.180 nan 0.000 0.603 357 I N 2.522 123.367 120.570 0.457 0.000 2.354 357 I HA 0.129 4.298 4.170 -0.001 0.000 0.286 357 I C 0.501 176.870 176.117 0.419 0.000 1.007 357 I CA -0.672 60.844 61.300 0.362 0.000 1.167 357 I CB 0.769 38.990 38.000 0.368 0.000 1.320 357 I HN 0.355 nan 8.210 nan 0.000 0.458 358 T N 1.706 116.403 114.554 0.239 0.000 2.868 358 T HA 0.291 4.641 4.350 -0.001 0.000 0.292 358 T C 1.249 175.934 174.700 -0.025 0.000 1.028 358 T CA -0.135 62.056 62.100 0.152 0.000 1.059 358 T CB 1.513 70.421 68.868 0.068 0.000 0.991 358 T HN 0.657 nan 8.240 nan 0.000 0.531 359 K N 0.292 120.658 120.400 -0.057 0.000 2.147 359 K HA 0.024 4.343 4.320 -0.001 0.000 0.205 359 K C 2.873 179.348 176.600 -0.207 0.000 1.049 359 K CA 2.172 58.274 56.287 -0.308 0.000 0.936 359 K CB -1.853 30.619 32.500 -0.045 0.000 0.722 359 K HN 0.934 nan 8.250 nan 0.000 0.446 360 Q N 1.143 120.884 119.800 -0.098 0.000 2.050 360 Q HA -0.198 4.141 4.340 -0.001 0.000 0.202 360 Q C 2.187 178.136 176.000 -0.085 0.000 0.980 360 Q CA 1.961 57.719 55.803 -0.074 0.000 0.840 360 Q CB -0.595 28.119 28.738 -0.038 0.000 0.898 360 Q HN 0.905 nan 8.270 nan 0.000 0.424 361 E N -0.890 119.271 120.200 -0.064 0.000 2.051 361 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 361 E C 1.974 178.532 176.600 -0.070 0.000 0.991 361 E CA 1.159 57.535 56.400 -0.040 0.000 0.799 361 E CB -0.287 29.423 29.700 0.018 0.000 0.748 361 E HN 0.755 nan 8.360 nan 0.000 0.449 362 Y N 2.484 122.595 120.300 -0.314 0.000 2.151 362 Y HA -0.189 4.360 4.550 -0.001 0.000 0.284 362 Y C 0.637 176.389 175.900 -0.246 0.000 1.166 362 Y CA 1.418 59.288 58.100 -0.384 0.000 1.163 362 Y CB -0.149 37.711 38.460 -0.999 0.000 0.974 362 Y HN -0.125 nan 8.280 nan 0.000 0.511 363 D N 1.156 121.353 120.400 -0.339 0.000 2.745 363 D HA 0.106 4.745 4.640 -0.001 0.000 0.229 363 D C 0.807 176.968 176.300 -0.231 0.000 1.088 363 D CA 0.554 54.357 54.000 -0.328 0.000 1.054 363 D CB 0.087 40.778 40.800 -0.182 0.000 1.132 363 D HN 0.519 nan 8.370 nan 0.000 0.464 364 E N -0.390 119.658 120.200 -0.253 0.000 3.541 364 E HA 0.274 4.624 4.350 -0.001 0.000 0.275 364 E C 0.467 176.984 176.600 -0.139 0.000 1.217 364 E CA 0.022 56.332 56.400 -0.150 0.000 1.883 364 E CB -0.356 29.287 29.700 -0.095 0.000 1.954 364 E HN -0.010 nan 8.360 nan 0.000 0.889 365 A N 1.124 123.875 122.820 -0.114 0.000 2.462 365 A HA 0.639 4.959 4.320 -0.001 0.000 0.261 365 A C 1.120 178.648 177.584 -0.094 0.000 1.323 365 A CA 0.790 52.785 52.037 -0.070 0.000 0.913 365 A CB -1.055 17.938 19.000 -0.011 0.000 1.028 365 A HN 0.562 nan 8.150 nan 0.000 0.511 366 G N 0.265 108.918 108.800 -0.244 0.000 2.598 366 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.269 366 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.269 366 G C -1.136 173.740 174.900 -0.040 0.000 1.289 366 G CA 0.117 45.016 45.100 -0.335 0.000 0.926 366 G HN 0.218 nan 8.290 nan 0.000 0.567 367 P HA 0.026 nan 4.420 nan 0.000 0.219 367 P C 1.683 179.095 177.300 0.187 0.000 1.146 367 P CA 1.779 65.103 63.100 0.373 0.000 0.808 367 P CB -0.058 31.787 31.700 0.241 0.000 0.779 368 S N -1.050 114.729 115.700 0.131 0.000 2.894 368 S HA 0.011 4.480 4.470 -0.001 0.000 0.231 368 S C 1.417 176.115 174.600 0.162 0.000 0.971 368 S CA 0.212 58.500 58.200 0.146 0.000 1.005 368 S CB -1.206 62.068 63.200 0.122 0.000 0.799 368 S HN 0.223 nan 8.310 nan 0.000 0.527 369 I N 0.568 121.220 120.570 0.138 0.000 3.462 369 I HA 0.187 4.356 4.170 -0.001 0.000 0.290 369 I C 0.819 176.985 176.117 0.083 0.000 1.236 369 I CA 0.223 61.602 61.300 0.132 0.000 1.418 369 I CB 0.177 38.273 38.000 0.159 0.000 1.102 369 I HN 0.195 nan 8.210 nan 0.000 0.441 370 V N 3.709 123.607 119.914 -0.027 0.000 2.341 370 V HA 0.253 4.372 4.120 -0.001 0.000 0.248 370 V C -0.381 175.439 176.094 -0.457 0.000 1.107 370 V CA 0.634 62.832 62.300 -0.170 0.000 1.069 370 V CB -0.661 31.056 31.823 -0.176 0.000 1.177 370 V HN 0.348 nan 8.190 nan 0.000 0.492 371 H N 0.000 119.070 119.070 0.000 0.000 2.539 371 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 371 H CA 0.000 56.046 56.048 -0.003 0.000 1.023 371 H CB 0.000 29.776 29.762 0.024 0.000 1.292 371 H HN 0.000 nan 8.280 nan 0.000 0.496